A0A077Z7B9_TRITR Loading...

DnaJ subfamily C

AlphaFold DB , UniProt , Accession A0A077Z7B9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 653 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	37.4	Very low	52	Low	207 Å²	207	107.8 Å²	107.8	100%	1.02	62%	0.615	S	S	*	*				0	-46.8	0	-73	-138.4	-78.5	0	0	112.5	S4 V5	M1-S4 PolarHBondContact O-OG 3.39Å; M1-V5 WeakPolarHBondContact O-CG2 3.36Å; M1-V5 PolarHBondContact O-N 3.32Å
2	A	41.6	Very low	52.1	Low	79 Å²	79	107.8 Å²	107.8	65%	0.653	60%	0.603	S	S	*	*	H	α-helix	trans	-66	-42.9	177.5	0	0	0	0	0	113.3	S4 V5 V6	A2-S4 PolarHBondContact O-N 3.08Å; A2-V5 PolarHBondContact O-N 3.38Å; A2-V6 WeakPolarHBondContact O-CG2 3.48Å; A2-V6 PolarHBondContact O-N 3.15Å; A2-V6 VanDerWaalsContact O-N 3.08Å
3	E	39.9	Very low	52.5	Low	166 Å²	166	103 Å²	103	78%	0.776	59%	0.585	S	S	*	*	H	α-helix	trans	-63.1	-40	-179.8	-72.8	175.5	160.5	0	0	113.2	V5 V6 E7	E3-V5 PolarHBondContact O-N 3.35Å; E3-V6 PolarHBondContact O-N 3.22Å; E3-E7 PolarHBondContact O-N 3.18Å
4	S	50.3	Low	52.8	Low	69 Å²	69	100.9 Å²	100.9	48%	0.483	58%	0.575	S	S	.	*	H	α-helix	trans	-66.6	-35.3	178.1	60.6	0	0	0	0	113	M1 A2 E8	M1-S4 PolarHBondContact O-OG 3.39Å; A2-S4 PolarHBondContact O-N 3.08Å; S4-E8 WeakPolarHBondContact O-CB 3.48Å; S4-E8 PolarHBondContact O-N 3.07Å; S4-E8 VanDerWaalsContact O-N 3.1Å
5	V	50.1	Low	52.7	Low	91 Å²	91	97.3 Å²	97.3	55%	0.552	56%	0.556	S	S	*	*	H	α-helix	trans	-72.7	-36.2	177.8	175.4	0	0	0	0	110.9	M1 A2 E3 E8 A9	M1-V5 WeakPolarHBondContact O-CG2 3.36Å; M1-V5 PolarHBondContact O-N 3.32Å; A2-V5 PolarHBondContact O-N 3.38Å; E3-V5 PolarHBondContact O-N 3.35Å; V5-E8 PolarHBondContact O-N 2.98Å; V5-A9 VanDerWaalsContact O-CB 3.3Å; V5-A9 WeakPolarHBondContact O-CB 3.34Å; V5-A9 PolarHBondContact O-N 3.21Å
6	V	57.2	Low	52.6	Low	95 Å²	95	94.5 Å²	94.5	58%	0.576	54%	0.543	S	S	*	.	H	α-helix	trans	-69.1	-42.4	176.7	174.6	0	0	0	0	111	A2 E3 E8 A9 L10	A2-V6 WeakPolarHBondContact O-CG2 3.48Å; A2-V6 PolarHBondContact O-N 3.15Å; A2-V6 VanDerWaalsContact O-N 3.08Å; E3-V6 PolarHBondContact O-N 3.22Å; V6-E8 VanDerWaalsContact C-N 3.35Å; V6-E8 PolarHBondContact O-N 3.1Å; V6-A9 PolarHBondContact O-N 3.4Å; V6-L10 WeakPolarHBondContact O-CB 3.45Å; V6-L10 PolarHBondContact O-N 3.36Å
7	E	59.1	Low	52.5	Low	146 Å²	146	96.1 Å²	96.1	68%	0.682	55%	0.549	S	S	*	.	H	α-helix	trans	-61.2	-42.8	173.5	-79.8	-172	155.8	0	0	112	E3 L10 A11	E3-E7 PolarHBondContact O-N 3.18Å; E7-L10 PolarHBondContact O-N 2.92Å; E7-A11 WeakPolarHBondContact O-CB 3.37Å; E7-A11 PolarHBondContact O-N 3.29Å
8	E	57.7	Low	52.2	Low	106 Å²	106	96.3 Å²	96.3	50%	0.495	55%	0.548	S	S	.	.	H	α-helix	trans	-66.6	-41.1	179	-159.7	-170.8	158.2	0	0	112	S4 V5 V6 K12	S4-E8 WeakPolarHBondContact O-CB 3.48Å; S4-E8 PolarHBondContact O-N 3.07Å; S4-E8 VanDerWaalsContact O-N 3.1Å; V5-E8 PolarHBondContact O-N 2.98Å; V6-E8 VanDerWaalsContact C-N 3.35Å; V6-E8 PolarHBondContact O-N 3.1Å; E8-K12 WeakPolarHBondContact O-CB 3.43Å; E8-K12 VanDerWaalsContact O-CG 3.25Å; E8-K12 WeakPolarHBondContact O-CG 3.1Å; E8-K12 PolarHBondContact O-N 3.13Å; E8-K12 WeakPolarHBondContact OE1-CE 3.24Å; E8-K12 IonicContact OE1-NZ 3.89Å; E8-K12 PolarHBondContact OE1-NZ 3.02Å
9	A	60.4	Low	51.9	Low	56 Å²	56	93 Å²	93	46%	0.463	53%	0.53	S	S	.	.	H	α-helix	trans	-68.4	-41.1	176.8	0	0	0	0	0	112.2	V5 V6 K12 A13	V5-A9 VanDerWaalsContact O-CB 3.3Å; V5-A9 WeakPolarHBondContact O-CB 3.34Å; V5-A9 PolarHBondContact O-N 3.21Å; V6-A9 PolarHBondContact O-N 3.4Å; A9-K12 PolarHBondContact O-N 2.93Å; A9-A13 WeakPolarHBondContact O-CB 3.5Å; A9-A13 PolarHBondContact O-N 2.88Å
10	L	61	Low	51.7	Low	115 Å²	115	97.8 Å²	97.8	60%	0.602	54%	0.544	S	S	*	.	H	α-helix	trans	-67	-43.2	176.8	-164	86	0	0	0	110.6	V6 E7 K12 A13 V14	V6-L10 WeakPolarHBondContact O-CB 3.45Å; V6-L10 PolarHBondContact O-N 3.36Å; E7-L10 PolarHBondContact O-N 2.92Å; L10-K12 PolarHBondContact O-N 3.21Å; L10-A13 PolarHBondContact O-N 3.41Å; L10-V14 WeakPolarHBondContact O-CB 3.26Å; L10-V14 VanDerWaalsContact O-CG2 3.28Å; L10-V14 WeakPolarHBondContact O-CG2 3.47Å; L10-V14 PolarHBondContact O-N 2.99Å
11	A	57.2	Low	51.6	Low	56 Å²	56	97 Å²	97	46%	0.463	55%	0.551	S	S	.	*	H	α-helix	trans	-60.1	-45.4	173.9	0	0	0	0	0	111.2	E7 A13 V14 V15	E7-A11 WeakPolarHBondContact O-CB 3.37Å; E7-A11 PolarHBondContact O-N 3.29Å; A11-A13 VanDerWaalsContact C-N 3.35Å; A11-A13 PolarHBondContact O-N 3.25Å; A11-V14 PolarHBondContact O-N 3.43Å; A11-V15 WeakPolarHBondContact O-CB 3.45Å; A11-V15 VanDerWaalsContact O-CG2 3.23Å; A11-V15 WeakPolarHBondContact O-CG2 3.32Å; A11-V15 PolarHBondContact O-N 3.35Å
12	K	53.1	Low	51.9	Low	108 Å²	108	92.3 Å²	92.3	47%	0.47	53%	0.529	S	S	.	.	H	α-helix	trans	-59.4	-43.5	173.8	-77.4	171.9	-174.1	167	0	111.8	E8 A9 L10 C16	E8-K12 WeakPolarHBondContact O-CB 3.43Å; E8-K12 VanDerWaalsContact O-CG 3.25Å; E8-K12 WeakPolarHBondContact O-CG 3.1Å; E8-K12 PolarHBondContact O-N 3.13Å; E8-K12 WeakPolarHBondContact OE1-CE 3.24Å; E8-K12 IonicContact OE1-NZ 3.89Å; E8-K12 PolarHBondContact OE1-NZ 3.02Å; A9-K12 PolarHBondContact O-N 2.93Å; L10-K12 PolarHBondContact O-N 3.21Å; K12-C16 WeakPolarHBondContact O-CB 3.45Å; K12-C16 PolarHBondContact O-N 3.48Å; K12-C16 PolarHBondContact O-SG 3.07Å
13	A	57.2	Low	52.1	Low	45 Å²	45	90.3 Å²	90.3	37%	0.372	51%	0.513	S	S	.	.	H	α-helix	trans	-67.4	-43.4	179.5	0	0	0	0	0	112.6	A9 L10 A11 C16 L17	A9-A13 WeakPolarHBondContact O-CB 3.5Å; A9-A13 PolarHBondContact O-N 2.88Å; L10-A13 PolarHBondContact O-N 3.41Å; A11-A13 VanDerWaalsContact C-N 3.35Å; A11-A13 PolarHBondContact O-N 3.25Å; A13-C16 PolarHBondContact O-N 2.84Å; A13-L17 WeakPolarHBondContact O-CB 3.5Å; A13-L17 WeakPolarHBondContact O-CG 3.29Å; A13-L17 PolarHBondContact O-N 2.87Å
14	V	56.6	Low	52.4	Low	74 Å²	74	92.5 Å²	92.5	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-63.9	-41.8	176.9	171.1	0	0	0	0	110.7	L10 A11 L17 N18	L10-V14 WeakPolarHBondContact O-CB 3.26Å; L10-V14 VanDerWaalsContact O-CG2 3.28Å; L10-V14 WeakPolarHBondContact O-CG2 3.47Å; L10-V14 PolarHBondContact O-N 2.99Å; A11-V14 PolarHBondContact O-N 3.43Å; V14-L17 PolarHBondContact O-N 2.64Å; V14-N18 WeakPolarHBondContact O-CB 3.47Å; V14-N18 PolarHBondContact O-N 3.42Å
15	V	51.7	Low	52.5	Low	47 Å²	47	98 Å²	98	29%	0.285	53%	0.529	S	S	.	.	H	α-helix	trans	-61.3	-48.7	172.4	173.4	0	0	0	0	110	A11 L17 N18 V19	A11-V15 WeakPolarHBondContact O-CB 3.45Å; A11-V15 VanDerWaalsContact O-CG2 3.23Å; A11-V15 WeakPolarHBondContact O-CG2 3.32Å; A11-V15 PolarHBondContact O-N 3.35Å; V15-L17 VanDerWaalsContact C-N 3.33Å; V15-L17 PolarHBondContact O-N 2.76Å; V15-N18 PolarHBondContact O-N 2.95Å; V15-V19 HydrophobicContact CG1-CG2 4Å; V15-V19 VanDerWaalsContact O-CB 3.23Å; V15-V19 WeakPolarHBondContact O-CB 3.25Å; V15-V19 WeakPolarHBondContact O-CG2 3.18Å; V15-V19 PolarHBondContact O-N 3.04Å
16	C	50.8	Low	52.6	Low	52 Å²	52	99.1 Å²	99.1	35%	0.351	54%	0.538	S	S	.	.	H	α-helix	trans	-59.6	-40.1	179	-71	0	0	0	0	113.2	K12 A13 K20	K12-C16 WeakPolarHBondContact O-CB 3.45Å; K12-C16 PolarHBondContact O-N 3.48Å; K12-C16 PolarHBondContact O-SG 3.07Å; A13-C16 PolarHBondContact O-N 2.84Å; C16-K20 PolarHBondContact O-N 3.38Å
17	L	50.8	Low	52.3	Low	122 Å²	122	100.1 Å²	100.1	64%	0.639	54%	0.536	S	S	*	.	H	α-helix	trans	-70.9	-44.3	179.6	-74.5	168.7	0	0	0	111.8	A13 V14 V15 V19 K20 A21	A13-L17 WeakPolarHBondContact O-CB 3.5Å; A13-L17 WeakPolarHBondContact O-CG 3.29Å; A13-L17 PolarHBondContact O-N 2.87Å; V14-L17 PolarHBondContact O-N 2.64Å; V15-L17 VanDerWaalsContact C-N 3.33Å; V15-L17 PolarHBondContact O-N 2.76Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-K20 PolarHBondContact O-N 3.34Å; L17-A21 WeakPolarHBondContact O-CB 3.18Å; L17-A21 PolarHBondContact O-N 3.44Å; L17-A21 VanDerWaalsContact O-N 3.08Å
18	N	48.4	Very low	52	Low	99 Å²	99	98.6 Å²	98.6	53%	0.529	54%	0.539	S	S	.	.	H	α-helix	trans	-65.5	-37.5	174.3	-91.1	-20.3	0	0	0	112	V14 V15 A21 L22	V14-N18 WeakPolarHBondContact O-CB 3.47Å; V14-N18 PolarHBondContact O-N 3.42Å; V15-N18 PolarHBondContact O-N 2.95Å; N18-A21 PolarHBondContact O-N 2.94Å; N18-L22 WeakPolarHBondContact O-CB 3.19Å; N18-L22 PolarHBondContact O-N 2.84Å; N18-L22 VanDerWaalsContact O-N 3.14Å
19	V	46.4	Very low	51.6	Low	34 Å²	34	99 Å²	99	21%	0.206	56%	0.561	C	S	.	*	H	α-helix	trans	-64.9	-49.4	176.1	169.8	0	0	0	0	110.1	V15 L17 A21 L22 A23 F48	V15-V19 HydrophobicContact CG1-CG2 4Å; V15-V19 VanDerWaalsContact O-CB 3.23Å; V15-V19 WeakPolarHBondContact O-CB 3.25Å; V15-V19 WeakPolarHBondContact O-CG2 3.18Å; V15-V19 PolarHBondContact O-N 3.04Å; L17-V19 VanDerWaalsContact C-N 3.34Å; V19-A21 PolarHBondContact O-N 3.08Å; V19-L22 PolarHBondContact O-N 3.44Å; V19-L22 VanDerWaalsContact O-N 3.12Å; V19-A23 HydrophobicContact CG1-CB 3.9Å; V19-A23 WeakPolarHBondContact O-CA 3.17Å; V19-A23 WeakPolarHBondContact O-CB 3.3Å; V19-A23 PolarHBondContact O-N 3.47Å; V19-F48 HydrophobicContact CB-CE2 4.4Å; V19-F48 HydrophobicContact CG1-CD2 4.34Å; V19-F48 HydrophobicContact CG1-CE2 3.77Å; V19-F48 HydrophobicContact CG1-CZ 4.25Å; V19-F48 HydrophobicContact CG2-CD2 3.74Å; V19-F48 HydrophobicContact CG2-CE2 3.88Å
20	K	48	Very low	51.3	Low	189 Å²	189	100 Å²	100	82%	0.822	58%	0.577	S	S	*	*	H	α-helix	trans	-59.5	-34.2	175.9	-87.8	-175.3	175.9	177.8	0	113.2	C16 L17	C16-K20 PolarHBondContact O-N 3.38Å; L17-K20 PolarHBondContact O-N 3.34Å
21	A	47.8	Very low	50.8	Low	82 Å²	82	98.9 Å²	98.9	68%	0.678	57%	0.57	S	S	*	*	H	α-helix	trans	-72.3	-25.6	178.7	0	0	0	0	0	113.7	L17 N18 V19	L17-A21 WeakPolarHBondContact O-CB 3.18Å; L17-A21 PolarHBondContact O-N 3.44Å; L17-A21 VanDerWaalsContact O-N 3.08Å; N18-A21 PolarHBondContact O-N 2.94Å; V19-A21 PolarHBondContact O-N 3.08Å
22	L	44.3	Very low	50.9	Low	107 Å²	107	99.1 Å²	99.1	56%	0.56	57%	0.569	S	S	*	*	H	α-helix	trans	-114.2	-19.9	-173.7	-75.6	159.3	0	0	0	114.9	N18 V19 W24	N18-L22 WeakPolarHBondContact O-CB 3.19Å; N18-L22 PolarHBondContact O-N 2.84Å; N18-L22 VanDerWaalsContact O-N 3.14Å; V19-L22 PolarHBondContact O-N 3.44Å; V19-L22 VanDerWaalsContact O-N 3.12Å; L22-W24 PolarHBondContact O-N 2.84Å
23	A	46.4	Very low	50.9	Low	38 Å²	38	98.4 Å²	98.4	31%	0.314	57%	0.566	S	S	.	*	S	Bend	trans	-81	0.4	-159.6	0	0	0	0	0	116.5	V19 F48	V19-A23 HydrophobicContact CG1-CB 3.9Å; V19-A23 WeakPolarHBondContact O-CA 3.17Å; V19-A23 WeakPolarHBondContact O-CB 3.3Å; V19-A23 PolarHBondContact O-N 3.47Å; A23-F48 HydrophobicContact CB-CZ 4.29Å
24	W	45.6	Very low	50.7	Low	212 Å²	212	102.4 Å²	102.4	80%	0.803	58%	0.577	S	S	*	*			trans	-143.2	83.8	179.5	-119.1	71.8	0	0	0	112.7	L22	L22-W24 PolarHBondContact O-N 2.84Å
25	K	52.3	Low	51	Low	184 Å²	184	101.4 Å²	101.4	80%	0.8	57%	0.573	S	S	*	*			trans	-99.3	121.2	151.9	-69.5	-171.3	179.3	-176.2	0	107.1	E27	K25-E27 PolarHBondContact O-N 2.83Å; K25-E27 VanDerWaalsContact O-N 3.1Å
26	P	53.1	Low	51.5	Low	114 Å²	114	103.7 Å²	103.7	74%	0.74	58%	0.579	S	S	*	*			trans	-61.5	113.2	172.9	-15.9	28.4	0	0	0	108.5
27	E	50.4	Low	51.9	Low	116 Å²	116	102.9 Å²	102.9	54%	0.542	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-90.3	146.4	172.6	-72.1	-169.5	178.1	0	0	110.1	K25 I31 R39	K25-E27 PolarHBondContact O-N 2.83Å; K25-E27 VanDerWaalsContact O-N 3.1Å; E27-I31 WeakPolarHBondContact OE2-CD1 3.39Å; E27-R39 IonicContact OE1-NH1 3.54Å; E27-R39 PolarHBondContact OE1-NH1 2.78Å; E27-R39 IonicContact OE2-CZ 3.15Å; E27-R39 IonicContact OE2-NH1 2.71Å; E27-R39 PolarHBondContact OE2-NH1 2.9Å; E27-R39 IonicContact OE2-NH2 2.71Å
28	P	52	Low	52.6	Low	115 Å²	115	102.2 Å²	102.2	75%	0.747	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-57.8	143.5	-178.9	-20.2	30.9	0	0	0	112.2	G30	P28-G30 PolarHBondContact O-N 3.4Å
29	A	50.5	Low	53.3	Low	115 Å²	115	101.6 Å²	101.6	95%	0.95	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	124.4	179.7	0	0	0	0	0	111.2
30	G	53.7	Low	54.1	Low	77 Å²	77	101.1 Å²	101.1	79%	0.794	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	149.3	-20.5	174.2	0	0	0	0	0	115.7	P28	P28-G30 PolarHBondContact O-N 3.4Å
31	I	50.8	Low	54.7	Low	90 Å²	90	95.1 Å²	95.1	46%	0.462	53%	0.531	S	S	.	.	S	Bend	trans	-89	113.2	173.7	-51.5	165.3	0	0	0	108.3	E27	E27-I31 WeakPolarHBondContact OE2-CD1 3.39Å
32	S	58.5	Low	55.4	Low	62 Å²	62	97 Å²	97	43%	0.434	53%	0.534	S	S	.	.			trans	-52.7	144.3	-177.8	63.8	0	0	0	0	111.9	E34 S35 K36	S32-E34 PolarHBondContact O-N 3.18Å; S32-S35 WeakPolarHBondContact O-CA 3.31Å; S32-S35 VanDerWaalsContact O-CB 3.29Å; S32-S35 WeakPolarHBondContact O-CB 3.25Å; S32-S35 PolarHBondContact O-N 3.28Å; S32-S35 PolarHBondContact OG-OG 3.49Å; S32-K36 PolarHBondContact O-N 2.93Å
33	F	53.6	Low	56.2	Low	93 Å²	93	98.7 Å²	98.7	41%	0.408	54%	0.537	S	S	.	.	H	α-helix	trans	-54	-36	-179.6	177.7	-90.2	0	0	0	112.9	S35 K36 V37 C68	F33-S35 VanDerWaalsContact C-N 3.31Å; F33-S35 PolarHBondContact O-N 2.62Å; F33-K36 WeakPolarHBondContact O-CA 3.13Å; F33-K36 VanDerWaalsContact O-CB 3.29Å; F33-K36 WeakPolarHBondContact O-CB 3.32Å; F33-K36 PolarHBondContact O-N 3.44Å; F33-V37 HydrophobicContact CD1-CG2 4.08Å; F33-V37 HydrophobicContact CE1-CG2 3.44Å; F33-V37 VanDerWaalsContact CE1-CG2 3.44Å; F33-V37 HydrophobicContact CE2-CG2 4.38Å; F33-V37 HydrophobicContact CZ-CG2 3.63Å; F33-V37 PolarHBondContact O-N 3.46Å; F33-C68 HydrophobicContact CE1-CB 4.25Å; F33-C68 WeakPolarHBondContact CE1-SG 3.44Å
34	E	53.9	Low	56.9	Low	129 Å²	129	100.3 Å²	100.3	60%	0.603	54%	0.535	S	S	*	.	H	α-helix	trans	-59.2	-41.4	175	-63.4	-177.1	167.1	0	0	112.1	S32 K36 V37 I38	S32-E34 PolarHBondContact O-N 3.18Å; E34-K36 PolarHBondContact O-N 2.74Å; E34-V37 PolarHBondContact O-N 3.23Å; E34-I38 WeakPolarHBondContact O-CB 3.27Å; E34-I38 WeakPolarHBondContact O-CD1 3.34Å; E34-I38 VanDerWaalsContact O-CG1 3.25Å; E34-I38 WeakPolarHBondContact O-CG1 3.3Å; E34-I38 PolarHBondContact O-N 3.39Å; E34-I38 VanDerWaalsContact O-N 3.09Å
35	S	62	Low	57.4	Low	52 Å²	52	91.5 Å²	91.5	36%	0.364	51%	0.511	S	S	.	.	H	α-helix	trans	-65.4	-28.4	175.1	-56.8	0	0	0	0	111.9	S32 F33 R39	S32-S35 WeakPolarHBondContact O-CA 3.31Å; S32-S35 VanDerWaalsContact O-CB 3.29Å; S32-S35 WeakPolarHBondContact O-CB 3.25Å; S32-S35 PolarHBondContact O-N 3.28Å; S32-S35 PolarHBondContact OG-OG 3.49Å; F33-S35 VanDerWaalsContact C-N 3.31Å; F33-S35 PolarHBondContact O-N 2.62Å; S35-R39 WeakPolarHBondContact O-CB 3.37Å; S35-R39 PolarHBondContact O-N 2.77Å
36	K	62	Low	57.6	Low	96 Å²	96	90.9 Å²	90.9	42%	0.417	50%	0.503	S	S	.	.	H	α-helix	trans	-73.5	-50.1	177.9	-170.7	179.5	179.7	-179.5	0	111.5	S32 F33 E34 I38 R39 D40	S32-K36 PolarHBondContact O-N 2.93Å; F33-K36 WeakPolarHBondContact O-CA 3.13Å; F33-K36 VanDerWaalsContact O-CB 3.29Å; F33-K36 WeakPolarHBondContact O-CB 3.32Å; F33-K36 PolarHBondContact O-N 3.44Å; E34-K36 PolarHBondContact O-N 2.74Å; K36-I38 PolarHBondContact O-N 3.33Å; K36-R39 PolarHBondContact O-N 3.14Å; K36-D40 WeakPolarHBondContact O-CB 3.49Å; K36-D40 PolarHBondContact O-N 2.79Å
37	V	60	Low	57.5	Low	34 Å²	34	90.8 Å²	90.8	21%	0.206	50%	0.497	C	S	.	.	H	α-helix	trans	-61.8	-43.7	178.4	176.5	0	0	0	0	111.1	F33 E34 D40 L41 Y49	F33-V37 HydrophobicContact CD1-CG2 4.08Å; F33-V37 HydrophobicContact CE1-CG2 3.44Å; F33-V37 VanDerWaalsContact CE1-CG2 3.44Å; F33-V37 HydrophobicContact CE2-CG2 4.38Å; F33-V37 HydrophobicContact CZ-CG2 3.63Å; F33-V37 PolarHBondContact O-N 3.46Å; E34-V37 PolarHBondContact O-N 3.23Å; V37-D40 PolarHBondContact O-N 3.5Å; V37-L41 HydrophobicContact CG1-CD1 3.98Å; V37-L41 WeakPolarHBondContact O-CB 3.39Å; V37-L41 PolarHBondContact O-N 3.49Å; V37-Y49 HydrophobicContact CG1-CE2 4.48Å
38	I	64.2	Low	57.8	Low	108 Å²	108	86.7 Å²	86.7	55%	0.554	48%	0.477	S	S	*	.	H	α-helix	trans	-62.7	-46.7	176.4	-66.1	168.2	0	0	0	110.4	E34 K36 D40 L41 V42	E34-I38 WeakPolarHBondContact O-CB 3.27Å; E34-I38 WeakPolarHBondContact O-CD1 3.34Å; E34-I38 VanDerWaalsContact O-CG1 3.25Å; E34-I38 WeakPolarHBondContact O-CG1 3.3Å; E34-I38 PolarHBondContact O-N 3.39Å; E34-I38 VanDerWaalsContact O-N 3.09Å; K36-I38 PolarHBondContact O-N 3.33Å; I38-D40 VanDerWaalsContact C-N 3.33Å; I38-D40 PolarHBondContact O-N 3.28Å; I38-L41 PolarHBondContact O-N 2.85Å; I38-V42 HydrophobicContact CG2-CG2 4.3Å; I38-V42 WeakPolarHBondContact O-CB 3.36Å; I38-V42 VanDerWaalsContact O-CG2 3.26Å; I38-V42 WeakPolarHBondContact O-CG2 3.31Å; I38-V42 PolarHBondContact O-N 3.37Å
39	R	63.7	Low	57.8	Low	87 Å²	87	83.7 Å²	83.7	33%	0.328	45%	0.451	S	S	.	.	H	α-helix	trans	-62.1	-40.8	178.6	-163.7	-165	-46.6	162.7	7.9	111.7	E27 S35 K36 V42 K43	E27-R39 IonicContact OE1-NH1 3.54Å; E27-R39 PolarHBondContact OE1-NH1 2.78Å; E27-R39 IonicContact OE2-CZ 3.15Å; E27-R39 IonicContact OE2-NH1 2.71Å; E27-R39 PolarHBondContact OE2-NH1 2.9Å; E27-R39 IonicContact OE2-NH2 2.71Å; S35-R39 WeakPolarHBondContact O-CB 3.37Å; S35-R39 PolarHBondContact O-N 2.77Å; K36-R39 PolarHBondContact O-N 3.14Å; R39-V42 PolarHBondContact O-N 2.78Å; R39-K43 WeakPolarHBondContact O-CB 3.32Å; R39-K43 PolarHBondContact O-N 3.19Å
40	D	63.1	Low	57.8	Low	24 Å²	24	80.1 Å²	80.1	13%	0.128	42%	0.422	C	S	.	.	H	α-helix	trans	-68.2	-38.8	177.9	-69	-18.6	0	0	0	111.3	K36 V37 I38 K43 Y44 F48 Y49	K36-D40 WeakPolarHBondContact O-CB 3.49Å; K36-D40 PolarHBondContact O-N 2.79Å; V37-D40 PolarHBondContact O-N 3.5Å; I38-D40 VanDerWaalsContact C-N 3.33Å; I38-D40 PolarHBondContact O-N 3.28Å; D40-K43 PolarHBondContact O-N 3.39Å; D40-Y44 HydrophobicContact CB-CD2 4.05Å; D40-Y44 HydrophobicContact CB-CE2 4.48Å; D40-Y44 WeakPolarHBondContact O-CA 3.39Å; D40-Y44 WeakPolarHBondContact O-CB 3.48Å; D40-Y44 WeakPolarHBondContact O-CD2 3.37Å; D40-Y44 PolarHBondContact O-N 2.72Å; D40-F48 HydrophobicContact CB-CD1 4.34Å; D40-F48 HydrophobicContact CB-CE1 4.2Å; D40-Y49 HydrophobicContact CB-CE2 4.49Å
41	L	61.6	Low	57.4	Low	62 Å²	62	79.1 Å²	79.1	33%	0.325	40%	0.402	S	S	.	.	H	α-helix	trans	-65.4	-40.5	172.7	-112.9	126.7	0	0	0	112.5	V37 I38 G45 R46 Y49	V37-L41 HydrophobicContact CG1-CD1 3.98Å; V37-L41 WeakPolarHBondContact O-CB 3.39Å; V37-L41 PolarHBondContact O-N 3.49Å; I38-L41 PolarHBondContact O-N 2.85Å; L41-G45 WeakPolarHBondContact O-CA 3.33Å; L41-G45 PolarHBondContact O-N 3.37Å; L41-R46 HydrophobicContact CD2-CG 4.13Å; L41-Y49 HydrophobicContact CD1-CD2 4.38Å; L41-Y49 HydrophobicContact CD1-CE2 4.22Å
42	V	61.5	Low	57.4	Low	122 Å²	122	78 Å²	78	74%	0.739	40%	0.399	S	S	*	.	H	α-helix	trans	-68.2	-41.3	176.4	169.7	0	0	0	0	110.9	I38 R39	I38-V42 HydrophobicContact CG2-CG2 4.3Å; I38-V42 WeakPolarHBondContact O-CB 3.36Å; I38-V42 VanDerWaalsContact O-CG2 3.26Å; I38-V42 WeakPolarHBondContact O-CG2 3.31Å; I38-V42 PolarHBondContact O-N 3.37Å; R39-V42 PolarHBondContact O-N 2.78Å
43	K	61	Low	57	Low	142 Å²	142	78.7 Å²	78.7	62%	0.617	42%	0.417	S	S	*	.	H	α-helix	trans	-83.5	-40.1	-172.4	-173.5	176.6	179.4	-168.9	0	113.5	R39 D40	R39-K43 WeakPolarHBondContact O-CB 3.32Å; R39-K43 PolarHBondContact O-N 3.19Å; D40-K43 PolarHBondContact O-N 3.39Å
44	Y	61.1	Low	56.8	Low	72 Å²	72	78.7 Å²	78.7	28%	0.282	42%	0.418	S	S	.	.	H	α-helix	trans	-110.9	-5.8	-174.3	-54.2	-70.2	0	0	0	113	D40 F48	D40-Y44 HydrophobicContact CB-CD2 4.05Å; D40-Y44 HydrophobicContact CB-CE2 4.48Å; D40-Y44 WeakPolarHBondContact O-CA 3.39Å; D40-Y44 WeakPolarHBondContact O-CB 3.48Å; D40-Y44 WeakPolarHBondContact O-CD2 3.37Å; D40-Y44 PolarHBondContact O-N 2.72Å; Y44-F48 VanDerWaalsContact CB-CD2 3.46Å; Y44-F48 HydrophobicContact CD1-CD2 4.32Å; Y44-F48 AromaticContact CD2-CD2 3.73Å; Y44-F48 HydrophobicContact CD2-CD2 3.73Å; Y44-F48 AromaticContact CD2-CE2 3.74Å; Y44-F48 HydrophobicContact CD2-CE2 3.74Å; Y44-F48 HydrophobicContact CD2-CG 4.26Å; Y44-F48 HydrophobicContact CD2-CZ 4.27Å; Y44-F48 HydrophobicContact CE2-CE2 4.18Å; Y44-F48 AromaticContact CG-CD2 3.59Å; Y44-F48 HydrophobicContact CG-CD2 3.59Å; Y44-F48 AromaticContact CG-CE2 3.95Å; Y44-F48 HydrophobicContact CG-CE2 3.95Å; Y44-F48 HydrophobicContact CG-CG 4.25Å
45	G	55.6	Low	56.9	Low	28 Å²	28	80.3 Å²	80.3	29%	0.289	42%	0.423	S	S	.	.			trans	74.1	176.1	179.6	0	0	0	0	0	113.6	L41 N47 F48	L41-G45 WeakPolarHBondContact O-CA 3.33Å; L41-G45 PolarHBondContact O-N 3.37Å; G45-N47 PolarHBondContact O-N 2.74Å; G45-N47 VanDerWaalsContact O-N 3.1Å; G45-F48 WeakPolarHBondContact O-CB 3.41Å; G45-F48 PolarHBondContact O-N 3.3Å
46	R	56.9	Low	56.6	Low	170 Å²	170	79.9 Å²	79.9	64%	0.642	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-56.1	-26.8	179.2	-83.5	-179.1	170.5	141.4	-3.3	113.9	L41 F48 L56	L41-R46 HydrophobicContact CD2-CG 4.13Å; R46-F48 VanDerWaalsContact C-N 3.28Å; R46-F48 PolarHBondContact O-N 3.17Å; R46-L56 HydrophobicContact CB-CD2 4.2Å
47	N	51.9	Low	56.7	Low	113 Å²	113	81.1 Å²	81.1	60%	0.604	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-72.7	-16.7	-176.5	-67.7	-16.8	0	0	0	113.9	G45 Y49 A50	G45-N47 PolarHBondContact O-N 2.74Å; G45-N47 VanDerWaalsContact O-N 3.1Å; N47-Y49 PolarHBondContact O-N 3.39Å; N47-A50 PolarHBondContact O-N 3.08Å; N47-A50 VanDerWaalsContact O-N 3.17Å
48	F	56.2	Low	57	Low	30 Å²	30	82.7 Å²	82.7	13%	0.132	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-58.9	-32.1	178.4	-174.2	-99.9	0	0	0	112.9	V19 A23 D40 Y44 G45 R46	V19-F48 HydrophobicContact CB-CE2 4.4Å; V19-F48 HydrophobicContact CG1-CD2 4.34Å; V19-F48 HydrophobicContact CG1-CE2 3.77Å; V19-F48 HydrophobicContact CG1-CZ 4.25Å; V19-F48 HydrophobicContact CG2-CD2 3.74Å; V19-F48 HydrophobicContact CG2-CE2 3.88Å; A23-F48 HydrophobicContact CB-CZ 4.29Å; D40-F48 HydrophobicContact CB-CD1 4.34Å; D40-F48 HydrophobicContact CB-CE1 4.2Å; Y44-F48 VanDerWaalsContact CB-CD2 3.46Å; Y44-F48 HydrophobicContact CD1-CD2 4.32Å; Y44-F48 AromaticContact CD2-CD2 3.73Å; Y44-F48 HydrophobicContact CD2-CD2 3.73Å; Y44-F48 AromaticContact CD2-CE2 3.74Å; Y44-F48 HydrophobicContact CD2-CE2 3.74Å; Y44-F48 HydrophobicContact CD2-CG 4.26Å; Y44-F48 HydrophobicContact CD2-CZ 4.27Å; Y44-F48 HydrophobicContact CE2-CE2 4.18Å; Y44-F48 AromaticContact CG-CD2 3.59Å; Y44-F48 HydrophobicContact CG-CD2 3.59Å; Y44-F48 AromaticContact CG-CE2 3.95Å; Y44-F48 HydrophobicContact CG-CE2 3.95Å; Y44-F48 HydrophobicContact CG-CG 4.25Å; G45-F48 WeakPolarHBondContact O-CB 3.41Å; G45-F48 PolarHBondContact O-N 3.3Å; R46-F48 VanDerWaalsContact C-N 3.28Å; R46-F48 PolarHBondContact O-N 3.17Å
49	Y	53	Low	56.8	Low	52 Å²	52	78 Å²	78	20%	0.204	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-101.9	-0.1	179.4	-65.6	-75.9	0	0	0	113.8	V37 D40 L41 N47 C51 T52 L71	V37-Y49 HydrophobicContact CG1-CE2 4.48Å; D40-Y49 HydrophobicContact CB-CE2 4.49Å; L41-Y49 HydrophobicContact CD1-CD2 4.38Å; L41-Y49 HydrophobicContact CD1-CE2 4.22Å; N47-Y49 PolarHBondContact O-N 3.39Å; Y49-C51 PolarHBondContact O-N 3.47Å; Y49-T52 PolarHBondContact O-OG1 3.13Å; Y49-L71 HydrophobicContact CE1-CD1 4.47Å
50	A	49.9	Very low	56.7	Low	40 Å²	40	77.3 Å²	77.3	33%	0.331	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-74.8	-6.2	178.5	0	0	0	0	0	113.4	N47 T52	N47-A50 PolarHBondContact O-N 3.08Å; N47-A50 VanDerWaalsContact O-N 3.17Å; A50-T52 VanDerWaalsContact C-N 3.25Å; A50-T52 PolarHBondContact O-N 3.43Å
51	C	45.2	Very low	57.2	Low	55 Å²	55	80.2 Å²	80.2	37%	0.372	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-76.3	-3.5	-178.9	-60.1	0	0	0	0	114.5	Y49 G53	Y49-C51 PolarHBondContact O-N 3.47Å; C51-G53 VanDerWaalsContact C-N 3.3Å; C51-G53 PolarHBondContact O-N 2.99Å
52	T	49.7	Very low	57.4	Low	66 Å²	66	80 Å²	80	41%	0.405	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-85.5	5.8	-178.5	53.3	0	0	0	0	114.3	Y49 A50 E54	Y49-T52 PolarHBondContact O-OG1 3.13Å; A50-T52 VanDerWaalsContact C-N 3.25Å; A50-T52 PolarHBondContact O-N 3.43Å; T52-E54 PolarHBondContact O-N 3.45Å
53	G	50.2	Low	57.7	Low	78 Å²	78	77 Å²	77	80%	0.804	43%	0.429	S	S	*	.	S	Bend	trans	73.2	-5.7	172.2	0	0	0	0	0	115.4	C51	C51-G53 VanDerWaalsContact C-N 3.3Å; C51-G53 PolarHBondContact O-N 2.99Å
54	E	49.6	Very low	57.6	Low	93 Å²	93	74.3 Å²	74.3	44%	0.435	43%	0.425	S	S	.	.	S	Bend	trans	-98.4	149.6	173.3	-65.2	-166	176.5	0	0	111.2	T52 L56 Y70	T52-E54 PolarHBondContact O-N 3.45Å; E54-L56 PolarHBondContact O-N 3Å; E54-Y70 PolarHBondContact OE1-OH 2.69Å; E54-Y70 PolarHBondContact OE2-OH 3.05Å
55	K	56.8	Low	57.5	Low	162 Å²	162	79.4 Å²	79.4	70%	0.704	44%	0.444	S	S	*	.			trans	-56.1	116.8	177.5	-73.8	-179	179	178	0	108.4	D57 S58	K55-D57 PolarHBondContact O-N 3.22Å; K55-S58 WeakPolarHBondContact O-CB 3.35Å; K55-S58 PolarHBondContact O-N 3.06Å
56	L	55.7	Low	58.2	Low	44 Å²	44	82.6 Å²	82.6	23%	0.23	45%	0.452	C	S	.	.	H	α-helix	trans	-49	-34.4	178.2	-177.2	68.6	0	0	0	112.1	R46 E54 S58 L59 L60	R46-L56 HydrophobicContact CB-CD2 4.2Å; E54-L56 PolarHBondContact O-N 3Å; L56-S58 VanDerWaalsContact C-N 3.3Å; L56-S58 PolarHBondContact O-N 2.97Å; L56-L59 PolarHBondContact O-N 2.95Å; L56-L60 HydrophobicContact CD2-CD1 4.39Å; L56-L60 HydrophobicContact CG-CD1 4.01Å; L56-L60 HydrophobicContact CG-CG 4.33Å; L56-L60 WeakPolarHBondContact O-CG 3.38Å; L56-L60 PolarHBondContact O-N 3.3Å
57	D	63.8	Low	58.3	Low	122 Å²	122	77.5 Å²	77.5	65%	0.652	43%	0.433	S	S	*	.	H	α-helix	trans	-60.5	-36.3	176.9	-59.8	-34.1	0	0	0	112.9	K55 L60 A61	K55-D57 PolarHBondContact O-N 3.22Å; D57-L60 PolarHBondContact O-N 3.2Å; D57-A61 WeakPolarHBondContact O-CB 3.47Å; D57-A61 PolarHBondContact O-N 2.9Å
58	S	67.4	Low	58.2	Low	67 Å²	67	73.6 Å²	73.6	47%	0.469	41%	0.414	S	S	.	.	H	α-helix	trans	-68.5	-40.6	176.3	-59.4	0	0	0	0	111.7	K55 L56 A61	K55-S58 WeakPolarHBondContact O-CB 3.35Å; K55-S58 PolarHBondContact O-N 3.06Å; L56-S58 VanDerWaalsContact C-N 3.3Å; L56-S58 PolarHBondContact O-N 2.97Å; S58-A61 PolarHBondContact O-N 3.48Å
59	L	58	Low	58.5	Low	9 Å²	9	76 Å²	76	5%	0.047	43%	0.426	C	S	.	.	H	α-helix	trans	-67.6	-38.1	174.1	-92	159.9	0	0	0	112.1	L56 A61 L62 R67 Y70	L56-L59 PolarHBondContact O-N 2.95Å; L59-A61 VanDerWaalsContact C-N 3.32Å; L59-L62 HydrophobicContact CD2-CD1 4.34Å; L59-L62 WeakPolarHBondContact O-CB 3.44Å; L59-L62 PolarHBondContact O-N 2.96Å; L59-R67 HydrophobicContact CD2-CG 3.79Å; L59-R67 VanDerWaalsContact O-CD 3.25Å; L59-R67 WeakPolarHBondContact O-CD 3.39Å; L59-R67 WeakPolarHBondContact O-CG 3.18Å; L59-R67 PolarHBondContact O-NE 3.25Å; L59-Y70 HydrophobicContact CD2-CD1 4.02Å; L59-Y70 HydrophobicContact CD2-CE1 4.45Å
60	L	61.6	Low	58.9	Low	72 Å²	72	78.4 Å²	78.4	38%	0.377	44%	0.435	S	S	.	.	H	α-helix	trans	-70.5	-27.6	177.6	-73	174	0	0	0	113.1	L56 D57 L62 R67	L56-L60 HydrophobicContact CD2-CD1 4.39Å; L56-L60 HydrophobicContact CG-CD1 4.01Å; L56-L60 HydrophobicContact CG-CG 4.33Å; L56-L60 WeakPolarHBondContact O-CG 3.38Å; L56-L60 PolarHBondContact O-N 3.3Å; D57-L60 PolarHBondContact O-N 3.2Å; L60-L62 VanDerWaalsContact C-N 3.29Å; L60-R67 PolarHBondContact O-NH2 3.47Å
61	A	73.6	Confident	59.3	Low	86 Å²	86	80 Å²	80	71%	0.711	44%	0.438	S	S	*	.	H	α-helix	trans	-70.7	-24.3	175.1	0	0	0	0	0	113.1	D57 S58 L59	D57-A61 WeakPolarHBondContact O-CB 3.47Å; D57-A61 PolarHBondContact O-N 2.9Å; S58-A61 PolarHBondContact O-N 3.48Å; L59-A61 VanDerWaalsContact C-N 3.32Å
62	L	65.7	Low	59.4	Low	58 Å²	58	81.7 Å²	81.7	30%	0.304	45%	0.446	S	S	.	.	S	Bend	trans	-69.1	144.8	173.9	-66.3	169.7	0	0	0	110.8	L59 L60 E66 R67	L59-L62 HydrophobicContact CD2-CD1 4.34Å; L59-L62 WeakPolarHBondContact O-CB 3.44Å; L59-L62 PolarHBondContact O-N 2.96Å; L60-L62 VanDerWaalsContact C-N 3.29Å; L62-E66 HydrophobicContact CB-CB 4.02Å; L62-E66 HydrophobicContact CD2-CB 4.13Å; L62-R67 PolarHBondContact O-NE 2.89Å; L62-R67 PolarHBondContact O-NH2 3.11Å
63	S	69.4	Low	59.4	Low	57 Å²	57	84.5 Å²	84.5	40%	0.399	45%	0.453	S	S	.	.			trans	-58.4	157	170.1	68.4	0	0	0	0	110.6	Y65 E66 R67	S63-Y65 PolarHBondContact O-N 3.27Å; S63-Y65 VanDerWaalsContact O-N 3.17Å; S63-E66 VanDerWaalsContact CB-OE2 3.28Å; S63-E66 WeakPolarHBondContact CB-OE2 3.32Å; S63-E66 PolarHBondContact N-OE2 3.4Å; S63-E66 PolarHBondContact O-N 3.19Å; S63-E66 VanDerWaalsContact OG-CG 3.24Å; S63-E66 WeakPolarHBondContact OG-CG 3.49Å; S63-E66 PolarHBondContact OG-N 2.96Å; S63-E66 PolarHBondContact OG-OE2 3.06Å; S63-R67 WeakPolarHBondContact O-CB 3.37Å; S63-R67 PolarHBondContact O-N 3.01Å
64	V	58	Low	59.1	Low	87 Å²	87	85.7 Å²	85.7	53%	0.527	45%	0.447	S	S	.	.	H	α-helix	trans	-53.6	-40.4	-179.6	177.2	0	0	0	0	111	C68	V64-C68 PolarHBondContact O-N 3.38Å; V64-C68 PolarHBondContact O-SG 2.81Å
65	Y	60.1	Low	58.9	Low	178 Å²	178	87.1 Å²	87.1	70%	0.698	46%	0.461	S	S	*	.	H	α-helix	trans	-66.5	-49.2	179.6	-170.1	-91.2	0	0	0	112.5	S63 R67 C68 E69	S63-Y65 PolarHBondContact O-N 3.27Å; S63-Y65 VanDerWaalsContact O-N 3.17Å; Y65-R67 VanDerWaalsContact C-N 3.27Å; Y65-R67 PolarHBondContact O-N 2.86Å; Y65-C68 WeakPolarHBondContact O-CB 3.45Å; Y65-C68 PolarHBondContact O-N 2.96Å; Y65-C68 VanDerWaalsContact O-N 3.12Å; Y65-E69 PolarHBondContact O-N 3.48Å
66	E	69.1	Low	58.5	Low	95 Å²	95	83.8 Å²	83.8	44%	0.444	46%	0.458	S	S	.	.	H	α-helix	trans	-61.5	-36.6	178	-70.7	163.8	142.9	0	0	112	L62 S63 E69 Y70	L62-E66 HydrophobicContact CB-CB 4.02Å; L62-E66 HydrophobicContact CD2-CB 4.13Å; S63-E66 VanDerWaalsContact CB-OE2 3.28Å; S63-E66 WeakPolarHBondContact CB-OE2 3.32Å; S63-E66 PolarHBondContact N-OE2 3.4Å; S63-E66 PolarHBondContact O-N 3.19Å; S63-E66 VanDerWaalsContact OG-CG 3.24Å; S63-E66 WeakPolarHBondContact OG-CG 3.49Å; S63-E66 PolarHBondContact OG-N 2.96Å; S63-E66 PolarHBondContact OG-OE2 3.06Å; E66-E69 PolarHBondContact O-N 3.29Å; E66-Y70 WeakPolarHBondContact O-CB 3.42Å; E66-Y70 PolarHBondContact O-N 3.36Å
67	R	59.8	Low	58.2	Low	64 Å²	64	86.7 Å²	86.7	24%	0.242	48%	0.478	C	S	.	.	H	α-helix	trans	-66.1	-41.3	175.7	-139.9	-176.4	-58.7	157	1	111.5	L59 L60 L62 S63 Y65 L71	L59-R67 HydrophobicContact CD2-CG 3.79Å; L59-R67 VanDerWaalsContact O-CD 3.25Å; L59-R67 WeakPolarHBondContact O-CD 3.39Å; L59-R67 WeakPolarHBondContact O-CG 3.18Å; L59-R67 PolarHBondContact O-NE 3.25Å; L60-R67 PolarHBondContact O-NH2 3.47Å; L62-R67 PolarHBondContact O-NE 2.89Å; L62-R67 PolarHBondContact O-NH2 3.11Å; S63-R67 WeakPolarHBondContact O-CB 3.37Å; S63-R67 PolarHBondContact O-N 3.01Å; Y65-R67 VanDerWaalsContact C-N 3.27Å; Y65-R67 PolarHBondContact O-N 2.86Å; R67-L71 VanDerWaalsContact O-CG 3.32Å; R67-L71 WeakPolarHBondContact O-CG 3.32Å; R67-L71 PolarHBondContact O-N 2.92Å
68	C	49.8	Very low	57.7	Low	31 Å²	31	87.8 Å²	87.8	21%	0.209	48%	0.479	C	S	.	.	H	α-helix	trans	-64	-46.6	174.2	-65.8	0	0	0	0	110.6	F33 V64 Y65 Y70 L71 T72	F33-C68 HydrophobicContact CE1-CB 4.25Å; F33-C68 WeakPolarHBondContact CE1-SG 3.44Å; V64-C68 PolarHBondContact O-N 3.38Å; V64-C68 PolarHBondContact O-SG 2.81Å; Y65-C68 WeakPolarHBondContact O-CB 3.45Å; Y65-C68 PolarHBondContact O-N 2.96Å; Y65-C68 VanDerWaalsContact O-N 3.12Å; C68-Y70 PolarHBondContact O-N 2.69Å; C68-L71 PolarHBondContact O-N 2.91Å; C68-T72 WeakPolarHBondContact O-CB 3.41Å; C68-T72 WeakPolarHBondContact O-CG2 3.49Å; C68-T72 PolarHBondContact O-N 3.08Å; C68-T72 PolarHBondContact O-OG1 2.84Å
69	E	62.6	Low	57.5	Low	81 Å²	81	90.8 Å²	90.8	38%	0.379	49%	0.486	S	S	.	.	H	α-helix	trans	-61.7	-43.4	179.8	-166.7	-172.7	146.3	0	0	111.5	Y65 E66 L71 T72 K73	Y65-E69 PolarHBondContact O-N 3.48Å; E66-E69 PolarHBondContact O-N 3.29Å; E69-L71 PolarHBondContact O-N 2.92Å; E69-T72 WeakPolarHBondContact CA-OG1 3.43Å; E69-T72 PolarHBondContact O-N 3.43Å; E69-K73 WeakPolarHBondContact O-CG 3.32Å; E69-K73 PolarHBondContact O-N 3.26Å; E69-K73 WeakPolarHBondContact OE1-CE 3.36Å; E69-K73 IonicContact OE1-NZ 3.56Å; E69-K73 PolarHBondContact OE1-NZ 2.83Å
70	Y	61.5	Low	58.1	Low	102 Å²	102	99.9 Å²	99.9	40%	0.4	53%	0.528	S	S	.	.	H	α-helix	trans	-61.3	-42.8	176.7	-176.6	-85.3	0	0	0	112	E54 L59 E66 C68	E54-Y70 PolarHBondContact OE1-OH 2.69Å; E54-Y70 PolarHBondContact OE2-OH 3.05Å; L59-Y70 HydrophobicContact CD2-CD1 4.02Å; L59-Y70 HydrophobicContact CD2-CE1 4.45Å; E66-Y70 WeakPolarHBondContact O-CB 3.42Å; E66-Y70 PolarHBondContact O-N 3.36Å; C68-Y70 PolarHBondContact O-N 2.69Å
71	L	56.8	Low	58.9	Low	73 Å²	73	98.3 Å²	98.3	38%	0.382	52%	0.521	S	S	.	.	H	α-helix	trans	-76.8	-19.7	178.7	-67.7	171.2	0	0	0	113.8	Y49 R67 C68 E69	Y49-L71 HydrophobicContact CE1-CD1 4.47Å; R67-L71 VanDerWaalsContact O-CG 3.32Å; R67-L71 WeakPolarHBondContact O-CG 3.32Å; R67-L71 PolarHBondContact O-N 2.92Å; C68-L71 PolarHBondContact O-N 2.91Å; E69-L71 PolarHBondContact O-N 2.92Å
72	T	48.8	Very low	59.3	Low	90 Å²	90	98.3 Å²	98.3	55%	0.552	51%	0.51	S	S	*	.	H	α-helix	trans	-105.8	-12.9	-177.9	50.8	0	0	0	0	114	C68 E69 P74	C68-T72 WeakPolarHBondContact O-CB 3.41Å; C68-T72 WeakPolarHBondContact O-CG2 3.49Å; C68-T72 PolarHBondContact O-N 3.08Å; C68-T72 PolarHBondContact O-OG1 2.84Å; E69-T72 WeakPolarHBondContact CA-OG1 3.43Å; E69-T72 PolarHBondContact O-N 3.43Å; T72-P74 WeakPolarHBondContact O-CD 3.33Å
73	K	49	Very low	59.9	Low	126 Å²	126	99.4 Å²	99.4	55%	0.548	52%	0.518	S	S	.	.	S	Bend	trans	-52.1	113.2	165.5	-89.2	179	-175.4	172.6	0	105.9	E69 V75	E69-K73 WeakPolarHBondContact O-CG 3.32Å; E69-K73 PolarHBondContact O-N 3.26Å; E69-K73 WeakPolarHBondContact OE1-CE 3.36Å; E69-K73 IonicContact OE1-NZ 3.56Å; E69-K73 PolarHBondContact OE1-NZ 2.83Å; K73-V75 PolarHBondContact O-N 3.28Å
74	P	43.6	Very low	60.5	Low	103 Å²	103	101.9 Å²	101.9	67%	0.669	53%	0.531	S	S	*	.			trans	-53.3	128.7	167.4	23.6	-30.1	0	0	0	103.8	T72 S76	T72-P74 WeakPolarHBondContact O-CD 3.33Å; P74-S76 PolarHBondContact O-N 3.15Å
75	V	46.1	Very low	61.7	Low	122 Å²	122	98.9 Å²	98.9	74%	0.739	52%	0.516	S	S	*	.			trans	-64.9	78.7	161	179.1	0	0	0	0	103.9	K73 T77	K73-V75 PolarHBondContact O-N 3.28Å; V75-T77 HydrophobicContact CG1-CG2 3.48Å; V75-T77 VanDerWaalsContact CG1-CG2 3.48Å; V75-T77 PolarHBondContact O-N 2.99Å; V75-T77 PolarHBondContact O-OG1 3.41Å
76	S	48	Very low	63.1	Low	92 Å²	92	91.4 Å²	91.4	64%	0.643	49%	0.487	S	S	*	.			trans	-64.6	75.5	155.1	50.2	0	0	0	0	103.6	P74 E78	P74-S76 PolarHBondContact O-N 3.15Å; S76-E78 PolarHBondContact O-N 3.47Å
77	T	49.1	Very low	63.9	Low	106 Å²	106	87.9 Å²	87.9	65%	0.65	47%	0.471	S	S	*	.			trans	-63.8	65.3	147.5	33.8	0	0	0	0	105.2	V75 E79	V75-T77 HydrophobicContact CG1-CG2 3.48Å; V75-T77 VanDerWaalsContact CG1-CG2 3.48Å; V75-T77 PolarHBondContact O-N 2.99Å; V75-T77 PolarHBondContact O-OG1 3.41Å; T77-E79 PolarHBondContact O-N 3.07Å
78	E	54.8	Low	65	Low	144 Å²	144	88 Å²	88	67%	0.673	48%	0.482	S	S	*	.			trans	-62.7	89	140.1	-62.6	-158.5	146.8	0	0	102.2	S76 E80	S76-E78 PolarHBondContact O-N 3.47Å; E78-E80 PolarHBondContact O-N 3.43Å
79	E	61.7	Low	66.3	Low	131 Å²	131	89.1 Å²	89.1	61%	0.612	49%	0.485	S	S	*	.			trans	-43.6	117.7	167.6	-67.6	174.6	163.9	0	0	104.8	T77 V81	T77-E79 PolarHBondContact O-N 3.07Å; E79-V81 VanDerWaalsContact C-N 3.25Å; E79-V81 VanDerWaalsContact O-CG2 3.28Å; E79-V81 WeakPolarHBondContact O-CG2 3.36Å; E79-V81 PolarHBondContact O-N 3.08Å
80	E	70.6	Confident	67	Low	199 Å²	199	91.3 Å²	91.3	93%	0.93	50%	0.5	S	S	*	.			trans	-57.7	100.9	174.3	-77.9	-169.7	165.9	0	0	106.3	E78 D82	E78-E80 PolarHBondContact O-N 3.43Å; E80-D82 PolarHBondContact O-N 3.37Å
81	V	79.4	Confident	67.9	Low	39 Å²	39	89.4 Å²	89.4	24%	0.236	50%	0.497	C	S	.	.			trans	-77.8	117.7	-176.8	177.9	0	0	0	0	105.9	E79 V83 F86 A127 Q128 A131	E79-V81 VanDerWaalsContact C-N 3.25Å; E79-V81 VanDerWaalsContact O-CG2 3.28Å; E79-V81 WeakPolarHBondContact O-CG2 3.36Å; E79-V81 PolarHBondContact O-N 3.08Å; V81-V83 WeakPolarHBondContact O-CG1 3.48Å; V81-V83 PolarHBondContact O-N 3.3Å; V81-F86 HydrophobicContact CG1-CE1 4.5Å; V81-F86 HydrophobicContact CG1-CZ 3.83Å; V81-A127 HydrophobicContact CG2-CB 3.93Å; V81-Q128 HydrophobicContact CG1-CB 4.2Å; V81-Q128 HydrophobicContact CG1-CG 3.4Å; V81-A131 HydrophobicContact CB-CB 4.26Å; V81-A131 HydrophobicContact CG1-CB 4.12Å; V81-A131 HydrophobicContact CG2-CB 4.25Å
82	D	80.8	Confident	69.2	Low	87 Å²	87	90.6 Å²	90.6	47%	0.465	51%	0.509	S	S	.	.			trans	-60.6	102.6	168.9	179.3	14	0	0	0	109.7	E80 T84	E80-D82 PolarHBondContact O-N 3.37Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 VanDerWaalsContact CG-OG1 3.28Å; D82-T84 VanDerWaalsContact OD1-CB 3.25Å; D82-T84 WeakPolarHBondContact OD1-CB 3.42Å; D82-T84 VanDerWaalsContact OD1-CG2 3.29Å; D82-T84 WeakPolarHBondContact OD1-CG2 3.45Å; D82-T84 PolarHBondContact OD1-N 3.25Å; D82-T84 PolarHBondContact OD1-OG1 2.97Å; D82-T84 PolarHBondContact OD2-OG1 3.34Å
83	V	79	Confident	70.9	Confident	80 Å²	80	89 Å²	89	49%	0.485	50%	0.502	S	S	.	.			trans	-84.4	-6.8	178.2	-62.4	0	0	0	0	112.4	V81 A85 F86	V81-V83 WeakPolarHBondContact O-CG1 3.48Å; V81-V83 PolarHBondContact O-N 3.3Å; V83-A85 PolarHBondContact O-N 3.45Å; V83-F86 HydrophobicContact CB-CD2 3.87Å; V83-F86 HydrophobicContact CB-CE2 3.96Å; V83-F86 HydrophobicContact CB-CG 4.47Å; V83-F86 HydrophobicContact CG1-CD2 4.03Å; V83-F86 HydrophobicContact CG1-CE2 3.62Å; V83-F86 HydrophobicContact CG1-CZ 4.24Å; V83-F86 VanDerWaalsContact O-CB 3.29Å; V83-F86 WeakPolarHBondContact O-CB 3.4Å; V83-F86 WeakPolarHBondContact O-CG 3.38Å; V83-F86 PolarHBondContact O-N 3.4Å
84	T	82.3	Confident	72.7	Confident	110 Å²	110	83.4 Å²	83.4	68%	0.675	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.4	-178.4	68.9	0	0	0	0	112.4	D82 F86	D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 VanDerWaalsContact CG-OG1 3.28Å; D82-T84 VanDerWaalsContact OD1-CB 3.25Å; D82-T84 WeakPolarHBondContact OD1-CB 3.42Å; D82-T84 VanDerWaalsContact OD1-CG2 3.29Å; D82-T84 WeakPolarHBondContact OD1-CG2 3.45Å; D82-T84 PolarHBondContact OD1-N 3.25Å; D82-T84 PolarHBondContact OD1-OG1 2.97Å; D82-T84 PolarHBondContact OD2-OG1 3.34Å; T84-F86 PolarHBondContact O-N 2.96Å
85	A	83.6	Confident	74.6	Confident	24 Å²	24	80 Å²	80	20%	0.198	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.3	174.6	0	0	0	0	0	113.5	V83 L120	V83-A85 PolarHBondContact O-N 3.45Å; A85-L120 HydrophobicContact CB-CD1 3.92Å; A85-L120 HydrophobicContact CB-CD2 4.07Å; A85-L120 HydrophobicContact CB-CG 4.03Å
86	F	89.5	Confident	76.5	Confident	21 Å²	21	81 Å²	81	9%	0.092	45%	0.449	C	S	.	.	S	Bend	trans	-77.6	161.8	176.7	-59.5	-7.4	0	0	0	110.6	V81 V83 T84 G116 L117 K119 L120 Q128 A131	V81-F86 HydrophobicContact CG1-CE1 4.5Å; V81-F86 HydrophobicContact CG1-CZ 3.83Å; V83-F86 HydrophobicContact CB-CD2 3.87Å; V83-F86 HydrophobicContact CB-CE2 3.96Å; V83-F86 HydrophobicContact CB-CG 4.47Å; V83-F86 HydrophobicContact CG1-CD2 4.03Å; V83-F86 HydrophobicContact CG1-CE2 3.62Å; V83-F86 HydrophobicContact CG1-CZ 4.24Å; V83-F86 VanDerWaalsContact O-CB 3.29Å; V83-F86 WeakPolarHBondContact O-CB 3.4Å; V83-F86 WeakPolarHBondContact O-CG 3.38Å; V83-F86 PolarHBondContact O-N 3.4Å; T84-F86 PolarHBondContact O-N 2.96Å; F86-G116 WeakPolarHBondContact CA-O 3.29Å; F86-L117 HydrophobicContact CD1-CD2 3.41Å; F86-L117 VanDerWaalsContact CD1-CD2 3.41Å; F86-L117 HydrophobicContact CE1-CD2 3.49Å; F86-L117 VanDerWaalsContact CE1-CD2 3.49Å; F86-L117 HydrophobicContact CG-CD2 4.15Å; F86-L117 HydrophobicContact CZ-CD2 4.25Å; F86-K119 PolarHBondContact O-NZ 3.02Å; F86-L120 HydrophobicContact CD1-CD1 4.16Å; F86-L120 HydrophobicContact CE1-CD1 4.06Å; F86-Q128 HydrophobicContact CE1-CB 3.93Å; F86-Q128 HydrophobicContact CE1-CG 3.98Å; F86-Q128 HydrophobicContact CZ-CB 4.08Å; F86-Q128 HydrophobicContact CZ-CG 4.21Å; F86-A131 HydrophobicContact CE2-CB 4.19Å; F86-A131 HydrophobicContact CZ-CB 4.22Å
87	D	85.6	Confident	78.4	Confident	20 Å²	20	78.4 Å²	78.4	11%	0.107	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-72	140.1	169.3	-60.4	-35	0	0	0	109	N89 G116 L117 S118	D87-N89 PolarHBondContact O-N 3.42Å; D87-G116 PolarHBondContact N-O 2.9Å; D87-G116 WeakPolarHBondContact OD2-CA 3.39Å; D87-L117 PolarHBondContact OD2-N 3.42Å; D87-S118 PolarHBondContact OD1-OG 2.89Å; D87-S118 WeakPolarHBondContact OD2-CB 3.48Å; D87-S118 PolarHBondContact OD2-N 3.44Å; D87-S118 PolarHBondContact OD2-OG 3.48Å
88	S	83.1	Confident	80.2	Confident	67 Å²	67	73.3 Å²	73.3	47%	0.469	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-59.3	130.1	179.9	-178.1	0	0	0	0	109.7	D90 D91	S88-D90 PolarHBondContact O-N 3.31Å; S88-D90 PolarHBondContact OG-N 3.42Å; S88-D91 PolarHBondContact O-N 2.86Å
89	N	77.1	Confident	81.7	Confident	54 Å²	54	68.6 Å²	68.6	29%	0.289	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.7	178.4	-68.7	-36.6	0	0	0	112.3	D87 K136 L139	D87-N89 PolarHBondContact O-N 3.42Å; N89-K136 VanDerWaalsContact OD1-CE 3.25Å; N89-K136 WeakPolarHBondContact OD1-CE 3.5Å; N89-K136 PolarHBondContact OD1-NZ 3.32Å; N89-L139 HydrophobicContact CB-CD1 3.64Å; N89-L139 VanDerWaalsContact CG-CD1 3.46Å
90	D	76.6	Confident	83	Confident	127 Å²	127	66.6 Å²	66.6	68%	0.679	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	5.7	-174.3	-51.9	-42.2	0	0	0	112.6	S88 P92	S88-D90 PolarHBondContact O-N 3.31Å; S88-D90 PolarHBondContact OG-N 3.42Å; D90-P92 WeakPolarHBondContact O-CD 3.41Å
91	D	81.7	Confident	83.9	Confident	63 Å²	63	58.3 Å²	58.3	34%	0.337	34%	0.342	S	S	.	.			trans	-67.4	116.7	176	-177.2	-11.3	0	0	0	110	S88 S93 Y94 I95	S88-D91 PolarHBondContact O-N 2.86Å; D91-S93 PolarHBondContact O-N 3.27Å; D91-S93 WeakPolarHBondContact OD1-CB 3.41Å; D91-S93 PolarHBondContact OD1-N 2.79Å; D91-S93 PolarHBondContact OD1-OG 3.01Å; D91-S93 PolarHBondContact OD2-OG 2.99Å; D91-Y94 WeakPolarHBondContact O-CB 3.36Å; D91-Y94 PolarHBondContact O-N 2.71Å; D91-Y94 VanDerWaalsContact O-N 3.08Å; D91-I95 PolarHBondContact O-N 2.87Å; D91-I95 VanDerWaalsContact O-N 3.17Å
92	P	82.3	Confident	84.2	Confident	97 Å²	97	59.5 Å²	59.5	63%	0.63	35%	0.347	S	S	*	.	H	α-helix	trans	-56.6	-34.8	178.4	-25.2	35.9	0	0	0	112.8	D90 Y94 I95 E96	D90-P92 WeakPolarHBondContact O-CD 3.41Å; P92-Y94 VanDerWaalsContact C-N 3.3Å; P92-Y94 PolarHBondContact O-N 2.78Å; P92-I95 PolarHBondContact O-N 2.84Å; P92-E96 VanDerWaalsContact O-CB 3.31Å; P92-E96 WeakPolarHBondContact O-CB 3.31Å; P92-E96 PolarHBondContact O-N 2.82Å
93	S	85.3	Confident	84.4	Confident	58 Å²	58	56.6 Å²	56.6	41%	0.406	33%	0.333	S	S	.	.	H	α-helix	trans	-68.9	-29.9	-179.3	76.5	0	0	0	0	112.7	D91 Y97	D91-S93 PolarHBondContact O-N 3.27Å; D91-S93 WeakPolarHBondContact OD1-CB 3.41Å; D91-S93 PolarHBondContact OD1-N 2.79Å; D91-S93 PolarHBondContact OD1-OG 3.01Å; D91-S93 PolarHBondContact OD2-OG 2.99Å; S93-Y97 VanDerWaalsContact O-CB 3.31Å; S93-Y97 WeakPolarHBondContact O-CB 3.5Å; S93-Y97 PolarHBondContact O-N 3.39Å
94	Y	85.8	Confident	84.8	Confident	7 Å²	7	57.8 Å²	57.8	3%	0.027	34%	0.341	C	S	.	.	H	α-helix	trans	-73.9	-44.5	175.3	171.3	-96.6	0	0	0	111.2	D91 P92 Y97 L98 R113 V114 K136 F140	D91-Y94 WeakPolarHBondContact O-CB 3.36Å; D91-Y94 PolarHBondContact O-N 2.71Å; D91-Y94 VanDerWaalsContact O-N 3.08Å; P92-Y94 VanDerWaalsContact C-N 3.3Å; P92-Y94 PolarHBondContact O-N 2.78Å; Y94-Y97 WeakPolarHBondContact O-CB 2.9Å; Y94-Y97 PolarHBondContact O-N 2.94Å; Y94-L98 HydrophobicContact CD1-CD1 4.19Å; Y94-L98 HydrophobicContact CE1-CD1 3.35Å; Y94-L98 HydrophobicContact CE1-CG 4.01Å; Y94-L98 HydrophobicContact CE2-CD1 4.38Å; Y94-L98 HydrophobicContact CE2-CG 4.33Å; Y94-L98 VanDerWaalsContact CZ-CD1 3.46Å; Y94-L98 PolarHBondContact O-N 3.3Å; Y94-L98 WeakPolarHBondContact OH-CD1 3.31Å; Y94-R113 WeakPolarHBondContact CE2-O 3.43Å; Y94-V114 PolarHBondContact OH-O 3.33Å; Y94-K136 HydrophobicContact CE1-CD 4.35Å; Y94-K136 VanDerWaalsContact OH-CD 3.31Å; Y94-K136 WeakPolarHBondContact OH-CD 3.36Å; Y94-K136 WeakPolarHBondContact OH-CE 3.4Å; Y94-K136 PolarHBondContact OH-NZ 3.27Å; Y94-K136 VanDerWaalsContact OH-NZ 3.1Å; Y94-F140 HydrophobicContact CE1-CE2 4.27Å; Y94-F140 HydrophobicContact CE1-CZ 4.25Å
95	I	84.1	Confident	85	Confident	31 Å²	31	58 Å²	58	16%	0.159	33%	0.334	C	S	.	.	H	α-helix	trans	-64.6	-43.3	178.2	-62.6	164.4	0	0	0	110.2	D91 P92 L98 A99	D91-I95 PolarHBondContact O-N 2.87Å; D91-I95 VanDerWaalsContact O-N 3.17Å; P92-I95 PolarHBondContact O-N 2.84Å; I95-L98 PolarHBondContact O-N 3.14Å; I95-A99 WeakPolarHBondContact O-CB 3.17Å; I95-A99 PolarHBondContact O-N 3.29Å
96	E	86.2	Confident	85	Confident	144 Å²	144	61.2 Å²	61.2	67%	0.673	34%	0.341	S	S	*	.	H	α-helix	trans	-62.4	-42.2	175.3	-174.9	172.5	-161.1	0	0	111.7	P92 A99 S100	P92-E96 VanDerWaalsContact O-CB 3.31Å; P92-E96 WeakPolarHBondContact O-CB 3.31Å; P92-E96 PolarHBondContact O-N 2.82Å; E96-A99 PolarHBondContact O-N 2.97Å; E96-S100 PolarHBondContact O-N 2.92Å
97	Y	88.5	Confident	84.9	Confident	37 Å²	37	63.1 Å²	63.1	15%	0.145	35%	0.35	C	S	.	.	H	α-helix	trans	-57.6	-52.3	172.5	171.5	-104.4	0	0	0	111.1	S93 Y94 A99 S100 L101 D110 R113 V114	S93-Y97 VanDerWaalsContact O-CB 3.31Å; S93-Y97 WeakPolarHBondContact O-CB 3.5Å; S93-Y97 PolarHBondContact O-N 3.39Å; Y94-Y97 WeakPolarHBondContact O-CB 2.9Å; Y94-Y97 PolarHBondContact O-N 2.94Å; Y97-A99 VanDerWaalsContact C-N 3.28Å; Y97-A99 PolarHBondContact O-N 3.49Å; Y97-S100 PolarHBondContact O-N 3.41Å; Y97-S100 VanDerWaalsContact O-N 3.12Å; Y97-S100 PolarHBondContact O-OG 3.22Å; Y97-L101 HydrophobicContact CD1-CD1 4.29Å; Y97-L101 HydrophobicContact CE1-CD1 3.75Å; Y97-L101 HydrophobicContact CE1-CG 4.44Å; Y97-L101 HydrophobicContact CE2-CD2 4.01Å; Y97-L101 WeakPolarHBondContact O-CG 3.45Å; Y97-L101 PolarHBondContact O-N 3Å; Y97-D110 WeakPolarHBondContact OH-CB 3.41Å; Y97-D110 PolarHBondContact OH-N 3.49Å; Y97-R113 HydrophobicContact CD1-CG 3.85Å; Y97-R113 HydrophobicContact CE1-CB 3.99Å; Y97-R113 HydrophobicContact CE1-CG 3.54Å; Y97-V114 HydrophobicContact CE1-CG2 4.16Å
98	L	87.2	Confident	84.9	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-59.6	-37.6	177.8	-74.6	-174.3	0	0	0	113	Y94 I95 S100 L101 V114 F140 M159	Y94-L98 HydrophobicContact CD1-CD1 4.19Å; Y94-L98 HydrophobicContact CE1-CD1 3.35Å; Y94-L98 HydrophobicContact CE1-CG 4.01Å; Y94-L98 HydrophobicContact CE2-CD1 4.38Å; Y94-L98 HydrophobicContact CE2-CG 4.33Å; Y94-L98 VanDerWaalsContact CZ-CD1 3.46Å; Y94-L98 PolarHBondContact O-N 3.3Å; Y94-L98 WeakPolarHBondContact OH-CD1 3.31Å; I95-L98 PolarHBondContact O-N 3.14Å; L98-S100 VanDerWaalsContact C-N 3.27Å; L98-S100 PolarHBondContact O-N 3.45Å; L98-L101 HydrophobicContact CD2-CD1 4.09Å; L98-L101 PolarHBondContact O-N 3.15Å; L98-V114 HydrophobicContact CD2-CB 4.27Å; L98-V114 HydrophobicContact CD2-CG1 3.97Å; L98-V114 HydrophobicContact CD2-CG2 4.23Å; L98-F140 HydrophobicContact CD1-CD2 4.49Å; L98-F140 HydrophobicContact CD1-CE1 4.31Å; L98-F140 HydrophobicContact CD1-CE2 3.9Å; L98-F140 HydrophobicContact CD1-CZ 3.81Å; L98-M159 HydrophobicContact CB-CG 4.3Å
99	A	85.6	Confident	85.3	Confident	44 Å²	44	66.2 Å²	66.2	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-66.3	-31	178.3	0	0	0	0	0	112.6	I95 E96 Y97 L101 M159	I95-A99 WeakPolarHBondContact O-CB 3.17Å; I95-A99 PolarHBondContact O-N 3.29Å; E96-A99 PolarHBondContact O-N 2.97Å; Y97-A99 VanDerWaalsContact C-N 3.28Å; Y97-A99 PolarHBondContact O-N 3.49Å; A99-L101 VanDerWaalsContact C-N 3.3Å; A99-M159 HydrophobicContact CB-CE 3.31Å
100	S	88.3	Confident	86	Confident	89 Å²	89	65 Å²	65	62%	0.622	35%	0.354	S	S	*	.	H	α-helix	trans	-78.5	-12.4	-179.7	75.2	0	0	0	0	114	E96 Y97 L98	E96-S100 PolarHBondContact O-N 2.92Å; Y97-S100 PolarHBondContact O-N 3.41Å; Y97-S100 VanDerWaalsContact O-N 3.12Å; Y97-S100 PolarHBondContact O-OG 3.22Å; L98-S100 VanDerWaalsContact C-N 3.27Å; L98-S100 PolarHBondContact O-N 3.45Å
101	L	89	Confident	86.8	Confident	25 Å²	25	59 Å²	59	13%	0.131	32%	0.322	C	S	.	.			trans	-80.6	132	-174.8	-68.3	175.4	0	0	0	112	Y97 L98 A99 Q109 V114	Y97-L101 HydrophobicContact CD1-CD1 4.29Å; Y97-L101 HydrophobicContact CE1-CD1 3.75Å; Y97-L101 HydrophobicContact CE1-CG 4.44Å; Y97-L101 HydrophobicContact CE2-CD2 4.01Å; Y97-L101 WeakPolarHBondContact O-CG 3.45Å; Y97-L101 PolarHBondContact O-N 3Å; L98-L101 HydrophobicContact CD2-CD1 4.09Å; L98-L101 PolarHBondContact O-N 3.15Å; A99-L101 VanDerWaalsContact C-N 3.3Å; L101-Q109 HydrophobicContact CD2-CB 4.41Å; L101-Q109 HydrophobicContact CD2-CG 3.95Å; L101-V114 HydrophobicContact CD1-CG2 3.44Å; L101-V114 VanDerWaalsContact CD1-CG2 3.44Å
102	D	87.7	Confident	87.4	Confident	64 Å²	64	56 Å²	56	34%	0.342	31%	0.306	S	S	.	.			trans	-89.6	121.9	172.4	176.5	-3.3	0	0	0	110.3	T104 Q105 Q109	D102-T104 PolarHBondContact O-N 3.43Å; D102-T104 WeakPolarHBondContact OD1-CB 3.38Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.45Å; D102-T104 PolarHBondContact OD1-N 2.91Å; D102-T104 PolarHBondContact OD1-OG1 3.39Å; D102-T104 PolarHBondContact OD2-OG1 3.31Å; D102-Q105 HydrophobicContact CB-CG 4.47Å; D102-Q105 PolarHBondContact O-N 3.35Å; D102-Q105 VanDerWaalsContact O-N 3.09Å; D102-Q109 PolarHBondContact O-NE2 2.89Å
103	P	84.4	Confident	87.9	Confident	26 Å²	26	55.9 Å²	55.9	17%	0.169	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-63.9	-20.5	-178.6	27.3	-35.2	0	0	0	113.2	D158 T161	P103-D158 HydrophobicContact CG-CB 3.99Å; P103-T161 HydrophobicContact CB-CG2 3.88Å
104	T	86.1	Confident	88.3	Confident	105 Å²	105	53.1 Å²	53.1	64%	0.644	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-73.4	-29.9	176.3	72	0	0	0	0	112.2	D102 W106	D102-T104 PolarHBondContact O-N 3.43Å; D102-T104 WeakPolarHBondContact OD1-CB 3.38Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.45Å; D102-T104 PolarHBondContact OD1-N 2.91Å; D102-T104 PolarHBondContact OD1-OG1 3.39Å; D102-T104 PolarHBondContact OD2-OG1 3.31Å; T104-W106 VanDerWaalsContact C-N 3.3Å; T104-W106 PolarHBondContact O-N 3.19Å
105	Q	86.9	Confident	88.6	Confident	115 Å²	115	52.8 Å²	52.8	54%	0.537	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-94.1	25.4	-179.9	-59.1	-171.3	21.2	0	0	113	D102 K107 N108 Q109	D102-Q105 HydrophobicContact CB-CG 4.47Å; D102-Q105 PolarHBondContact O-N 3.35Å; D102-Q105 VanDerWaalsContact O-N 3.09Å; Q105-K107 PolarHBondContact O-N 2.99Å; Q105-N108 PolarHBondContact O-N 3.08Å; Q105-N108 VanDerWaalsContact O-N 3.1Å; Q105-Q109 WeakPolarHBondContact O-CG 3.46Å
106	W	84.9	Confident	89	Confident	91 Å²	91	51.3 Å²	51.3	35%	0.345	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-50.6	-34	-174.6	66.6	-87.2	0	0	0	114.1	T104 N108 Q109 Q111 R165 W252	T104-W106 VanDerWaalsContact C-N 3.3Å; T104-W106 PolarHBondContact O-N 3.19Å; W106-N108 VanDerWaalsContact C-N 3.31Å; W106-N108 PolarHBondContact O-N 2.93Å; W106-Q109 WeakPolarHBondContact O-CB 3.42Å; W106-Q109 PolarHBondContact O-N 3.31Å; W106-Q111 PolarHBondContact O-NE2 3.11Å; W106-R165 HydrophobicContact CB-CB 4.27Å; W106-R165 HydrophobicContact CB-CG 4.26Å; W106-R165 HydrophobicContact CG-CG 4.41Å; W106-W252 AromaticContact CZ3-CH2 3.78Å; W106-W252 HydrophobicContact CZ3-CH2 3.78Å; W106-W252 HydrophobicContact CZ3-CZ2 4.26Å
107	K	86.1	Confident	89.3	Confident	62 Å²	62	44.5 Å²	44.5	27%	0.27	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-65.8	-29.2	-176.8	-167.6	-179.8	-179	-166.4	0	114.3	Q105 W252 D254	Q105-K107 PolarHBondContact O-N 2.99Å; K107-W252 WeakPolarHBondContact CE-O 3.42Å; K107-W252 HydrophobicContact CG-CZ2 4.02Å; K107-W252 PolarHBondContact NZ-O 3.48Å; K107-W252 PolarHBondContact O-NE1 2.77Å; K107-D254 PolarHBondContact NZ-O 2.94Å
108	N	86.8	Confident	89.3	Confident	140 Å²	140	44.4 Å²	44.4	75%	0.749	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-93.2	-4.7	-178.9	-63.8	-21.1	0	0	0	112.5	Q105 W106	Q105-N108 PolarHBondContact O-N 3.08Å; Q105-N108 VanDerWaalsContact O-N 3.1Å; W106-N108 VanDerWaalsContact C-N 3.31Å; W106-N108 PolarHBondContact O-N 2.93Å
109	Q	90.2	Very high	89.5	Confident	12 Å²	12	50.8 Å²	50.8	6%	0.056	27%	0.266	C	S	.	.	S	Bend	trans	-76.8	150.4	179.4	-53.8	-179.5	-7.5	0	0	110.5	L101 D102 Q105 W106 Q111 V114 C162	L101-Q109 HydrophobicContact CD2-CB 4.41Å; L101-Q109 HydrophobicContact CD2-CG 3.95Å; D102-Q109 PolarHBondContact O-NE2 2.89Å; Q105-Q109 WeakPolarHBondContact O-CG 3.46Å; W106-Q109 WeakPolarHBondContact O-CB 3.42Å; W106-Q109 PolarHBondContact O-N 3.31Å; Q109-Q111 PolarHBondContact O-N 3.3Å; Q109-Q111 VanDerWaalsContact O-N 3.11Å; Q109-Q111 PolarHBondContact O-NE2 3Å; Q109-V114 HydrophobicContact CB-CG2 4.45Å; Q109-C162 PolarHBondContact NE2-SG 3.08Å; Q109-C162 VanDerWaalsContact NE2-SG 3.41Å
110	D	92.7	Very high	89.7	Confident	29 Å²	29	50.1 Å²	50.1	16%	0.155	26%	0.256	C	S	.	.			trans	-75.1	98.2	170.2	-178.1	-15.3	0	0	0	110.2	Y97 Y112 R113 V114 R121 Y179	Y97-D110 WeakPolarHBondContact OH-CB 3.41Å; Y97-D110 PolarHBondContact OH-N 3.49Å; D110-Y112 VanDerWaalsContact C-N 3.26Å; D110-Y112 PolarHBondContact O-N 3.28Å; D110-Y112 PolarHBondContact OD1-N 2.65Å; D110-Y112 VanDerWaalsContact OD1-N 3.13Å; D110-R113 HydrophobicContact CB-CB 3.87Å; D110-R113 VanDerWaalsContact CG-CB 3.4Å; D110-R113 PolarHBondContact O-N 3.44Å; D110-R113 PolarHBondContact OD1-N 3.44Å; D110-R113 WeakPolarHBondContact OD2-CB 3.44Å; D110-V114 VanDerWaalsContact O-CG2 3.3Å; D110-V114 WeakPolarHBondContact O-CG2 3.49Å; D110-V114 PolarHBondContact O-N 3.01Å; D110-R121 IonicContact OD1-CZ 2.75Å; D110-R121 IonicContact OD1-NH1 3.28Å; D110-R121 PolarHBondContact OD1-NH1 3.12Å; D110-R121 IonicContact OD1-NH2 2.76Å; D110-R121 IonicContact OD2-CZ 2.93Å; D110-R121 IonicContact OD2-NH1 2.72Å; D110-R121 PolarHBondContact OD2-NH1 2.76Å; D110-R121 IonicContact OD2-NH2 3.57Å; D110-R121 PolarHBondContact OD2-NH2 3.29Å; D110-Y179 WeakPolarHBondContact CA-OH 3.45Å
111	Q	93.3	Very high	89.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-32.9	-175.3	-51.1	-54.6	-46.2	0	0	112.5	W106 Q109 L115 A166 T169 L170 Y179	W106-Q111 PolarHBondContact O-NE2 3.11Å; Q109-Q111 PolarHBondContact O-N 3.3Å; Q109-Q111 VanDerWaalsContact O-N 3.11Å; Q109-Q111 PolarHBondContact O-NE2 3Å; Q111-L115 PolarHBondContact O-N 2.78Å; Q111-L115 VanDerWaalsContact O-N 3.08Å; Q111-A166 HydrophobicContact CB-CB 4.21Å; Q111-T169 HydrophobicContact CG-CG2 4.16Å; Q111-L170 HydrophobicContact CB-CD1 4.19Å; Q111-L170 HydrophobicContact CB-CD2 4.44Å; Q111-L170 HydrophobicContact CB-CG 4.19Å; Q111-Y179 HydrophobicContact CB-CE1 4.03Å; Q111-Y179 HydrophobicContact CB-CE2 4.32Å; Q111-Y179 HydrophobicContact CG-CD2 4.07Å; Q111-Y179 HydrophobicContact CG-CE1 4.14Å; Q111-Y179 HydrophobicContact CG-CE2 3.56Å; Q111-Y179 PolarHBondContact N-OH 3.18Å
112	Y	94.9	Very high	90	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-71.1	-44.6	177.6	-78.5	-63.2	0	0	0	111	D110 L115 G116 L117 R121 Y122 A124 L170 R176 Y179 D180	D110-Y112 VanDerWaalsContact C-N 3.26Å; D110-Y112 PolarHBondContact O-N 3.28Å; D110-Y112 PolarHBondContact OD1-N 2.65Å; D110-Y112 VanDerWaalsContact OD1-N 3.13Å; Y112-L115 PolarHBondContact O-N 3.11Å; Y112-G116 PolarHBondContact O-N 3.43Å; Y112-G116 VanDerWaalsContact O-N 3.16Å; Y112-L117 HydrophobicContact CD1-CB 4.05Å; Y112-L117 CarbonylContact O-C 3.58Å; Y112-L117 WeakPolarHBondContact O-CA 3.34Å; Y112-L117 PolarHBondContact O-N 3.45Å; Y112-R121 HydrophobicContact CD2-CB 4.25Å; Y112-R121 WeakPolarHBondContact CE1-O 3.4Å; Y112-R121 HydrophobicContact CE2-CB 4.45Å; Y112-R121 HydrophobicContact CG-CB 4.46Å; Y112-R121 VanDerWaalsContact CZ-O 3.25Å; Y112-R121 PolarHBondContact OH-O 3.12Å; Y112-Y122 WeakPolarHBondContact OH-CA 3.27Å; Y112-A124 HydrophobicContact CE1-CB 4.43Å; Y112-L170 HydrophobicContact CD1-CD1 3.71Å; Y112-L170 HydrophobicContact CD1-CD2 4.28Å; Y112-L170 HydrophobicContact CE1-CD1 3.77Å; Y112-L170 HydrophobicContact CE1-CD2 3.7Å; Y112-L170 HydrophobicContact CE1-CG 4.37Å; Y112-L170 HydrophobicContact CE2-CD2 4.02Å; Y112-L170 HydrophobicContact CG-CD1 4.33Å; Y112-R176 PolarHBondContact OH-NE 3.3Å; Y112-Y179 HydrophobicContact CD2-CD1 4.45Å; Y112-Y179 AromaticContact CD2-CE1 3.73Å; Y112-Y179 HydrophobicContact CD2-CE1 3.73Å; Y112-Y179 HydrophobicContact CE2-CD1 4.07Å; Y112-Y179 AromaticContact CE2-CE1 3.8Å; Y112-Y179 HydrophobicContact CE2-CE1 3.8Å; Y112-D180 VanDerWaalsContact CE2-OD1 3.31Å; Y112-D180 WeakPolarHBondContact CE2-OD1 3.25Å; Y112-D180 PolarHBondContact OH-OD1 3.4Å; Y112-D180 PolarHBondContact OH-OD2 3.42Å
113	R	92.8	Very high	90.1	Very high	94 Å²	94	55.8 Å²	55.8	36%	0.355	26%	0.258	S	S	.	.	H	α-helix	trans	-62.7	-43.8	173.7	-170.4	174.7	177.8	-177.1	-1.3	110.6	Y94 Y97 D110 L115 G116	Y94-R113 WeakPolarHBondContact CE2-O 3.43Å; Y97-R113 HydrophobicContact CD1-CG 3.85Å; Y97-R113 HydrophobicContact CE1-CB 3.99Å; Y97-R113 HydrophobicContact CE1-CG 3.54Å; D110-R113 HydrophobicContact CB-CB 3.87Å; D110-R113 VanDerWaalsContact CG-CB 3.4Å; D110-R113 PolarHBondContact O-N 3.44Å; D110-R113 PolarHBondContact OD1-N 3.44Å; D110-R113 WeakPolarHBondContact OD2-CB 3.44Å; R113-L115 VanDerWaalsContact C-N 3.28Å; R113-L115 PolarHBondContact O-N 3.28Å; R113-G116 PolarHBondContact O-N 3.01Å
114	V	92.7	Very high	90.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-56.3	-42.6	176.8	172.2	0	0	0	0	111.6	Y94 Y97 L98 L101 Q109 D110 G116 C162 V163 A166	Y94-V114 PolarHBondContact OH-O 3.33Å; Y97-V114 HydrophobicContact CE1-CG2 4.16Å; L98-V114 HydrophobicContact CD2-CB 4.27Å; L98-V114 HydrophobicContact CD2-CG1 3.97Å; L98-V114 HydrophobicContact CD2-CG2 4.23Å; L101-V114 HydrophobicContact CD1-CG2 3.44Å; L101-V114 VanDerWaalsContact CD1-CG2 3.44Å; Q109-V114 HydrophobicContact CB-CG2 4.45Å; D110-V114 VanDerWaalsContact O-CG2 3.3Å; D110-V114 WeakPolarHBondContact O-CG2 3.49Å; D110-V114 PolarHBondContact O-N 3.01Å; V114-G116 PolarHBondContact O-N 3.02Å; V114-C162 HydrophobicContact CG1-CB 4.26Å; V114-V163 HydrophobicContact CG1-CG2 4.06Å; V114-A166 HydrophobicContact CB-CB 3.89Å; V114-A166 HydrophobicContact CG1-CB 3.61Å
115	L	92.6	Very high	90.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-4.4	178.8	-150.2	66.5	0	0	0	114	Q111 Y112 R113 L117 I129 S132 Y133 V163 L170	Q111-L115 PolarHBondContact O-N 2.78Å; Q111-L115 VanDerWaalsContact O-N 3.08Å; Y112-L115 PolarHBondContact O-N 3.11Å; R113-L115 VanDerWaalsContact C-N 3.28Å; R113-L115 PolarHBondContact O-N 3.28Å; L115-L117 HydrophobicContact CB-CD1 4.47Å; L115-L117 HydrophobicContact CB-CG 4.43Å; L115-L117 HydrophobicContact CD2-CD1 3.86Å; L115-L117 HydrophobicContact CG-CD1 4.43Å; L115-I129 HydrophobicContact CD2-CB 4.34Å; L115-I129 HydrophobicContact CD2-CG2 3.75Å; L115-S132 WeakPolarHBondContact CD2-OG 3.29Å; L115-S132 WeakPolarHBondContact O-CB 3.03Å; L115-Y133 HydrophobicContact CD1-CD2 4.23Å; L115-V163 HydrophobicContact CD1-CG1 4.35Å; L115-L170 HydrophobicContact CB-CD1 4.42Å; L115-L170 HydrophobicContact CD2-CD1 4Å
116	G	91.4	Very high	91	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.01	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	30.4	-176.2	0	0	0	0	0	113.5	F86 D87 Y112 R113 V114	F86-G116 WeakPolarHBondContact CA-O 3.29Å; D87-G116 PolarHBondContact N-O 2.9Å; D87-G116 WeakPolarHBondContact OD2-CA 3.39Å; Y112-G116 PolarHBondContact O-N 3.43Å; Y112-G116 VanDerWaalsContact O-N 3.16Å; R113-G116 PolarHBondContact O-N 3.01Å; V114-G116 PolarHBondContact O-N 3.02Å
117	L	92.8	Very high	91.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.219	C	C	.	.			trans	-115.8	28.8	178.4	-63	179.7	0	0	0	111.5	F86 D87 Y112 L115 K119 L120 R121 A124 I129	F86-L117 HydrophobicContact CD1-CD2 3.41Å; F86-L117 VanDerWaalsContact CD1-CD2 3.41Å; F86-L117 HydrophobicContact CE1-CD2 3.49Å; F86-L117 VanDerWaalsContact CE1-CD2 3.49Å; F86-L117 HydrophobicContact CG-CD2 4.15Å; F86-L117 HydrophobicContact CZ-CD2 4.25Å; D87-L117 PolarHBondContact OD2-N 3.42Å; Y112-L117 HydrophobicContact CD1-CB 4.05Å; Y112-L117 CarbonylContact O-C 3.58Å; Y112-L117 WeakPolarHBondContact O-CA 3.34Å; Y112-L117 PolarHBondContact O-N 3.45Å; L115-L117 HydrophobicContact CB-CD1 4.47Å; L115-L117 HydrophobicContact CB-CG 4.43Å; L115-L117 HydrophobicContact CD2-CD1 3.86Å; L115-L117 HydrophobicContact CG-CD1 4.43Å; L117-K119 PolarHBondContact O-N 2.93Å; L117-K119 VanDerWaalsContact O-N 3.15Å; L117-L120 HydrophobicContact CD2-CD1 4.1Å; L117-L120 PolarHBondContact O-N 3.1Å; L117-L120 VanDerWaalsContact O-N 3.12Å; L117-R121 PolarHBondContact O-N 2.82Å; L117-A124 HydrophobicContact CD1-CB 3.96Å; L117-I129 HydrophobicContact CD1-CB 4.42Å; L117-I129 HydrophobicContact CD1-CG1 3.65Å
118	S	90.1	Very high	91.6	Very high	35 Å²	35	46.4 Å²	46.4	25%	0.245	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.2	-174.8	72.7	0	0	0	0	113.2	D87 R121	D87-S118 PolarHBondContact OD1-OG 2.89Å; D87-S118 WeakPolarHBondContact OD2-CB 3.48Å; D87-S118 PolarHBondContact OD2-N 3.44Å; D87-S118 PolarHBondContact OD2-OG 3.48Å; S118-R121 WeakPolarHBondContact O-CD 3.39Å; S118-R121 VanDerWaalsContact O-CG 3.27Å; S118-R121 WeakPolarHBondContact O-CG 3.18Å; S118-R121 PolarHBondContact O-NE 3.48Å
119	K	90.4	Very high	91.9	Very high	135 Å²	135	39.7 Å²	39.7	59%	0.587	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-37.1	177	-57.5	173.6	-165.3	159.3	0	113.4	F86 L117	F86-K119 PolarHBondContact O-NZ 3.02Å; L117-K119 PolarHBondContact O-N 2.93Å; L117-K119 VanDerWaalsContact O-N 3.15Å
120	L	89.8	Confident	92	Very high	30 Å²	30	43.7 Å²	43.7	16%	0.157	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-38.3	-174.3	-71.9	171.4	0	0	0	112.4	A85 F86 L117 Y122 R123 A124 Q128	A85-L120 HydrophobicContact CB-CD1 3.92Å; A85-L120 HydrophobicContact CB-CD2 4.07Å; A85-L120 HydrophobicContact CB-CG 4.03Å; F86-L120 HydrophobicContact CD1-CD1 4.16Å; F86-L120 HydrophobicContact CE1-CD1 4.06Å; L117-L120 HydrophobicContact CD2-CD1 4.1Å; L117-L120 PolarHBondContact O-N 3.1Å; L117-L120 VanDerWaalsContact O-N 3.12Å; L120-Y122 PolarHBondContact O-N 3.49Å; L120-R123 WeakPolarHBondContact O-CA 3.38Å; L120-R123 VanDerWaalsContact O-CB 3.27Å; L120-R123 WeakPolarHBondContact O-CB 3.46Å; L120-R123 PolarHBondContact O-N 3.04Å; L120-A124 HydrophobicContact CB-CB 3.88Å; L120-Q128 HydrophobicContact CD1-CG 4.45Å
121	R	91.4	Very high	92	Very high	35 Å²	35	43.3 Å²	43.3	13%	0.132	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	49.5	-133.7	178.8	-58.5	-73.5	-178	169.4	-10.7	111.6	D110 Y112 L117 S118 R123 A124 D183	D110-R121 IonicContact OD1-CZ 2.75Å; D110-R121 IonicContact OD1-NH1 3.28Å; D110-R121 PolarHBondContact OD1-NH1 3.12Å; D110-R121 IonicContact OD1-NH2 2.76Å; D110-R121 IonicContact OD2-CZ 2.93Å; D110-R121 IonicContact OD2-NH1 2.72Å; D110-R121 PolarHBondContact OD2-NH1 2.76Å; D110-R121 IonicContact OD2-NH2 3.57Å; D110-R121 PolarHBondContact OD2-NH2 3.29Å; Y112-R121 HydrophobicContact CD2-CB 4.25Å; Y112-R121 WeakPolarHBondContact CE1-O 3.4Å; Y112-R121 HydrophobicContact CE2-CB 4.45Å; Y112-R121 HydrophobicContact CG-CB 4.46Å; Y112-R121 VanDerWaalsContact CZ-O 3.25Å; Y112-R121 PolarHBondContact OH-O 3.12Å; L117-R121 PolarHBondContact O-N 2.82Å; S118-R121 WeakPolarHBondContact O-CD 3.39Å; S118-R121 VanDerWaalsContact O-CG 3.27Å; S118-R121 WeakPolarHBondContact O-CG 3.18Å; S118-R121 PolarHBondContact O-NE 3.48Å; R121-R123 PolarHBondContact O-N 3.1Å; R121-A124 WeakPolarHBondContact O-CB 3.45Å; R121-A124 PolarHBondContact O-N 2.56Å; R121-D183 IonicContact NH1-OD1 3.81Å; R121-D183 IonicContact NH1-OD2 3.75Å
122	Y	91.2	Very high	91.9	Very high	86 Å²	86	43.4 Å²	43.4	34%	0.337	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-57.8	-18.4	176.3	76.4	-90.9	0	0	0	114.4	Y112 L120 A124 R176	Y112-Y122 WeakPolarHBondContact OH-CA 3.27Å; L120-Y122 PolarHBondContact O-N 3.49Å; Y122-A124 VanDerWaalsContact C-N 3.31Å; Y122-R176 PolarHBondContact O-NH2 3.48Å
123	R	90.8	Very high	91.8	Very high	175 Å²	175	45.8 Å²	45.8	66%	0.66	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-80.6	-10.3	175.3	-59.8	-177.9	167.8	85.9	-2.7	113.2	L120 R121 S125	L120-R123 WeakPolarHBondContact O-CA 3.38Å; L120-R123 VanDerWaalsContact O-CB 3.27Å; L120-R123 WeakPolarHBondContact O-CB 3.46Å; L120-R123 PolarHBondContact O-N 3.04Å; R121-R123 PolarHBondContact O-N 3.1Å; R123-S125 PolarHBondContact O-N 3.03Å
124	A	92.6	Very high	91.8	Very high	2 Å²	2	47.9 Å²	47.9	2%	0.017	21%	0.21	C	C	.	.			trans	-62	127.7	179.9	0	0	0	0	0	111.4	Y112 L117 L120 R121 Y122 I129 R176	Y112-A124 HydrophobicContact CE1-CB 4.43Å; L117-A124 HydrophobicContact CD1-CB 3.96Å; L120-A124 HydrophobicContact CB-CB 3.88Å; R121-A124 WeakPolarHBondContact O-CB 3.45Å; R121-A124 PolarHBondContact O-N 2.56Å; Y122-A124 VanDerWaalsContact C-N 3.31Å; A124-I129 HydrophobicContact CB-CD1 4.33Å; A124-I129 HydrophobicContact CB-CG1 4.08Å; A124-R176 VanDerWaalsContact O-CZ 3.24Å; A124-R176 PolarHBondContact O-NH1 3.43Å; A124-R176 PolarHBondContact O-NH2 2.85Å
125	S	92.1	Very high	91.6	Very high	48 Å²	48	50 Å²	50	34%	0.336	23%	0.225	S	C	.	.			trans	-69.8	158.7	173.9	80.4	0	0	0	0	110.8	R123 A127 Q128 I129	R123-S125 PolarHBondContact O-N 3.03Å; S125-A127 PolarHBondContact O-N 3.3Å; S125-A127 PolarHBondContact OG-N 3.05Å; S125-Q128 WeakPolarHBondContact O-CB 3.19Å; S125-Q128 PolarHBondContact O-N 3.38Å; S125-Q128 VanDerWaalsContact O-N 3.13Å; S125-Q128 WeakPolarHBondContact OG-CG 3.41Å; S125-Q128 PolarHBondContact OG-N 3.48Å; S125-I129 WeakPolarHBondContact O-CG1 3.27Å; S125-I129 PolarHBondContact O-N 3.42Å
126	Y	91.6	Very high	91.4	Very high	107 Å²	107	50.2 Å²	50.2	42%	0.42	23%	0.226	S	C	.	.	H	α-helix	trans	-61.1	-32.3	173.8	-179.4	-110.6	0	0	0	111.9	I129 R130 S171	Y126-I129 PolarHBondContact O-N 3.36Å; Y126-R130 HydrophobicContact CD1-CG 4.42Å; Y126-R130 HydrophobicContact CE1-CG 4.01Å; Y126-R130 VanDerWaalsContact CE1-NE 3.27Å; Y126-R130 HydrophobicContact CE2-CG 4.19Å; Y126-R130 WeakPolarHBondContact O-CG 3.47Å; Y126-R130 PolarHBondContact O-N 3.38Å; Y126-S171 WeakPolarHBondContact CE2-O 2.98Å
127	A	90.8	Very high	91.2	Very high	13 Å²	13	51.1 Å²	51.1	11%	0.107	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-43.9	172.8	0	0	0	0	0	111.7	V81 S125 I129 R130 A131	V81-A127 HydrophobicContact CG2-CB 3.93Å; S125-A127 PolarHBondContact O-N 3.3Å; S125-A127 PolarHBondContact OG-N 3.05Å; A127-I129 PolarHBondContact O-N 3.34Å; A127-R130 PolarHBondContact O-N 3.31Å; A127-A131 WeakPolarHBondContact O-CB 3.48Å; A127-A131 PolarHBondContact O-N 2.95Å
128	Q	92.6	Very high	90.9	Very high	32 Å²	32	55.9 Å²	55.9	15%	0.15	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-40.7	174.5	-75.1	170.2	-29.3	0	0	112.9	V81 F86 L120 S125 A131 S132	V81-Q128 HydrophobicContact CG1-CB 4.2Å; V81-Q128 HydrophobicContact CG1-CG 3.4Å; F86-Q128 HydrophobicContact CE1-CB 3.93Å; F86-Q128 HydrophobicContact CE1-CG 3.98Å; F86-Q128 HydrophobicContact CZ-CB 4.08Å; F86-Q128 HydrophobicContact CZ-CG 4.21Å; L120-Q128 HydrophobicContact CD1-CG 4.45Å; S125-Q128 WeakPolarHBondContact O-CB 3.19Å; S125-Q128 PolarHBondContact O-N 3.38Å; S125-Q128 VanDerWaalsContact O-N 3.13Å; S125-Q128 WeakPolarHBondContact OG-CG 3.41Å; S125-Q128 PolarHBondContact OG-N 3.48Å; Q128-A131 PolarHBondContact O-N 2.89Å; Q128-S132 WeakPolarHBondContact O-CB 3.39Å; Q128-S132 PolarHBondContact O-N 2.96Å; Q128-S132 PolarHBondContact O-OG 3.37Å
129	I	93.5	Very high	90.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.5	-43.2	175.1	-69.7	165.3	0	0	0	111.3	L115 L117 A124 S125 Y126 A127 S132 Y133 Y167 L170	L115-I129 HydrophobicContact CD2-CB 4.34Å; L115-I129 HydrophobicContact CD2-CG2 3.75Å; L117-I129 HydrophobicContact CD1-CB 4.42Å; L117-I129 HydrophobicContact CD1-CG1 3.65Å; A124-I129 HydrophobicContact CB-CD1 4.33Å; A124-I129 HydrophobicContact CB-CG1 4.08Å; S125-I129 WeakPolarHBondContact O-CG1 3.27Å; S125-I129 PolarHBondContact O-N 3.42Å; Y126-I129 PolarHBondContact O-N 3.36Å; A127-I129 PolarHBondContact O-N 3.34Å; I129-S132 WeakPolarHBondContact CA-OG 3.43Å; I129-S132 PolarHBondContact O-OG 3Å; I129-Y133 WeakPolarHBondContact O-CB 3.4Å; I129-Y133 PolarHBondContact O-N 3.46Å; I129-Y167 HydrophobicContact CG2-CD2 3.99Å; I129-Y167 HydrophobicContact CG2-CE2 4.12Å; I129-L170 HydrophobicContact CD1-CB 4.22Å; I129-L170 HydrophobicContact CG2-CB 4Å
130	R	92.6	Very high	90.2	Very high	96 Å²	96	50.6 Å²	50.6	36%	0.362	23%	0.233	S	C	.	.	H	α-helix	trans	-67.7	-41.7	175.8	-73.1	-169.7	-63.4	176.1	4.1	112.5	Y126 A127 Y133 R134 Y167	Y126-R130 HydrophobicContact CD1-CG 4.42Å; Y126-R130 HydrophobicContact CE1-CG 4.01Å; Y126-R130 VanDerWaalsContact CE1-NE 3.27Å; Y126-R130 HydrophobicContact CE2-CG 4.19Å; Y126-R130 WeakPolarHBondContact O-CG 3.47Å; Y126-R130 PolarHBondContact O-N 3.38Å; A127-R130 PolarHBondContact O-N 3.31Å; R130-Y133 PolarHBondContact O-N 3.46Å; R130-R134 VanDerWaalsContact O-CG 3.28Å; R130-R134 WeakPolarHBondContact O-CG 3.49Å; R130-R134 PolarHBondContact O-N 3.13Å; R130-Y167 HydrophobicContact CG-CE2 4.13Å
131	A	91.6	Very high	89.9	Confident	20 Å²	20	52.5 Å²	52.5	17%	0.165	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-49.1	179.8	0	0	0	0	0	111.2	V81 F86 A127 Q128 Y133 R134 C135	V81-A131 HydrophobicContact CB-CB 4.26Å; V81-A131 HydrophobicContact CG1-CB 4.12Å; V81-A131 HydrophobicContact CG2-CB 4.25Å; F86-A131 HydrophobicContact CE2-CB 4.19Å; F86-A131 HydrophobicContact CZ-CB 4.22Å; A127-A131 WeakPolarHBondContact O-CB 3.48Å; A127-A131 PolarHBondContact O-N 2.95Å; Q128-A131 PolarHBondContact O-N 2.89Å; A131-Y133 PolarHBondContact O-N 2.9Å; A131-R134 PolarHBondContact O-N 3.1Å; A131-C135 PolarHBondContact O-N 3.44Å; A131-C135 PolarHBondContact O-SG 3.15Å; A131-C135 VanDerWaalsContact O-SG 3.32Å
132	S	91.6	Very high	89.4	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-46.3	174.7	53.1	0	0	0	0	111.9	L115 Q128 I129 R134 C135 K136	L115-S132 WeakPolarHBondContact CD2-OG 3.29Å; L115-S132 WeakPolarHBondContact O-CB 3.03Å; Q128-S132 WeakPolarHBondContact O-CB 3.39Å; Q128-S132 PolarHBondContact O-N 2.96Å; Q128-S132 PolarHBondContact O-OG 3.37Å; I129-S132 WeakPolarHBondContact CA-OG 3.43Å; I129-S132 PolarHBondContact O-OG 3Å; S132-R134 PolarHBondContact O-N 2.94Å; S132-C135 PolarHBondContact O-N 2.94Å; S132-K136 VanDerWaalsContact O-CG 3.26Å; S132-K136 WeakPolarHBondContact O-CG 3.32Å; S132-K136 PolarHBondContact O-N 3.33Å
133	Y	93.9	Very high	88.8	Confident	51 Å²	51	55.5 Å²	55.5	20%	0.2	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-45.9	174.1	177.6	-113.2	0	0	0	112.8	L115 I129 R130 A131 C135 K136 A137 V163 Y167	L115-Y133 HydrophobicContact CD1-CD2 4.23Å; I129-Y133 WeakPolarHBondContact O-CB 3.4Å; I129-Y133 PolarHBondContact O-N 3.46Å; R130-Y133 PolarHBondContact O-N 3.46Å; A131-Y133 PolarHBondContact O-N 2.9Å; Y133-C135 PolarHBondContact O-N 3.48Å; Y133-K136 PolarHBondContact O-N 2.87Å; Y133-A137 VanDerWaalsContact O-CB 3.26Å; Y133-A137 WeakPolarHBondContact O-CB 3.27Å; Y133-A137 PolarHBondContact O-N 3.17Å; Y133-V163 HydrophobicContact CD2-CG1 3.98Å; Y133-V163 HydrophobicContact CE2-CG1 4.15Å; Y133-Y167 VanDerWaalsContact CB-CD2 3.47Å; Y133-Y167 AromaticContact CD1-CD1 3.79Å; Y133-Y167 HydrophobicContact CD1-CD1 3.79Å; Y133-Y167 AromaticContact CD1-CD2 3.95Å; Y133-Y167 HydrophobicContact CD1-CD2 3.95Å; Y133-Y167 AromaticContact CD1-CE1 3.91Å; Y133-Y167 HydrophobicContact CD1-CE1 3.91Å; Y133-Y167 HydrophobicContact CD1-CE2 4.07Å; Y133-Y167 AromaticContact CD1-CG 3.8Å; Y133-Y167 HydrophobicContact CD1-CG 3.8Å; Y133-Y167 HydrophobicContact CD2-CD1 4.05Å; Y133-Y167 HydrophobicContact CD2-CD2 4.05Å; Y133-Y167 AromaticContact CD2-CG 3.54Å; Y133-Y167 HydrophobicContact CD2-CG 3.54Å; Y133-Y167 AromaticContact CE1-CD1 3.78Å; Y133-Y167 HydrophobicContact CE1-CD1 3.78Å; Y133-Y167 AromaticContact CE1-CE1 3.95Å; Y133-Y167 HydrophobicContact CE1-CE1 3.95Å; Y133-Y167 HydrophobicContact CE1-CG 4.19Å; Y133-Y167 HydrophobicContact CE2-CD1 4.03Å; Y133-Y167 AromaticContact CE2-CG 3.95Å; Y133-Y167 HydrophobicContact CE2-CG 3.95Å; Y133-Y167 AromaticContact CG-CD1 3.91Å; Y133-Y167 HydrophobicContact CG-CD1 3.91Å; Y133-Y167 AromaticContact CG-CD2 3.54Å; Y133-Y167 HydrophobicContact CG-CD2 3.54Å; Y133-Y167 HydrophobicContact CG-CE1 4.4Å; Y133-Y167 HydrophobicContact CG-CE2 4.08Å; Y133-Y167 AromaticContact CG-CG 3.44Å; Y133-Y167 HydrophobicContact CG-CG 3.44Å; Y133-Y167 VanDerWaalsContact CG-CG 3.44Å; Y133-Y167 AromaticContact CZ-CD1 3.89Å
134	R	90.8	Very high	87.9	Confident	137 Å²	137	50.5 Å²	50.5	52%	0.517	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-45.8	177.1	-73.6	171.7	-176.2	-179.7	-1.8	111.3	R130 A131 S132 A137 L138	R130-R134 VanDerWaalsContact O-CG 3.28Å; R130-R134 WeakPolarHBondContact O-CG 3.49Å; R130-R134 PolarHBondContact O-N 3.13Å; A131-R134 PolarHBondContact O-N 3.1Å; S132-R134 PolarHBondContact O-N 2.94Å; R134-A137 PolarHBondContact O-N 3.16Å; R134-L138 WeakPolarHBondContact O-CB 3.49Å; R134-L138 VanDerWaalsContact O-CG 3.24Å; R134-L138 WeakPolarHBondContact O-CG 3.26Å; R134-L138 PolarHBondContact O-N 2.97Å
135	C	88.6	Confident	86.5	Confident	46 Å²	46	53.1 Å²	53.1	31%	0.311	26%	0.261	S	S	.	.	H	α-helix	trans	-59.4	-47.9	176.2	-66.7	0	0	0	0	111.6	A131 S132 Y133 L138 L139	A131-C135 PolarHBondContact O-N 3.44Å; A131-C135 PolarHBondContact O-SG 3.15Å; A131-C135 VanDerWaalsContact O-SG 3.32Å; S132-C135 PolarHBondContact O-N 2.94Å; Y133-C135 PolarHBondContact O-N 3.48Å; C135-L138 PolarHBondContact O-N 3.19Å; C135-L139 WeakPolarHBondContact O-CG 3.31Å; C135-L139 PolarHBondContact O-N 3.38Å
136	K	88.5	Confident	84.8	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-68.2	-38	-179.8	-61.3	-64.2	178.1	-177.7	0	112.2	N89 Y94 S132 Y133 L138 L139 F140 V163	N89-K136 VanDerWaalsContact OD1-CE 3.25Å; N89-K136 WeakPolarHBondContact OD1-CE 3.5Å; N89-K136 PolarHBondContact OD1-NZ 3.32Å; Y94-K136 HydrophobicContact CE1-CD 4.35Å; Y94-K136 VanDerWaalsContact OH-CD 3.31Å; Y94-K136 WeakPolarHBondContact OH-CD 3.36Å; Y94-K136 WeakPolarHBondContact OH-CE 3.4Å; Y94-K136 PolarHBondContact OH-NZ 3.27Å; Y94-K136 VanDerWaalsContact OH-NZ 3.1Å; S132-K136 VanDerWaalsContact O-CG 3.26Å; S132-K136 WeakPolarHBondContact O-CG 3.32Å; S132-K136 PolarHBondContact O-N 3.33Å; Y133-K136 PolarHBondContact O-N 2.87Å; K136-L138 VanDerWaalsContact C-N 3.31Å; K136-L138 PolarHBondContact O-N 3.32Å; K136-L139 PolarHBondContact O-N 2.9Å; K136-L139 VanDerWaalsContact O-N 3.14Å; K136-F140 HydrophobicContact CB-CD2 4.2Å; K136-F140 HydrophobicContact CD-CD2 4.25Å; K136-F140 HydrophobicContact CD-CE2 3.79Å; K136-F140 WeakPolarHBondContact O-CD2 3.2Å; K136-F140 PolarHBondContact O-N 3.14Å; K136-V163 HydrophobicContact CB-CG1 3.79Å
137	A	88.6	Confident	83.2	Confident	20 Å²	20	56.2 Å²	56.2	17%	0.165	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-40.5	172.3	0	0	0	0	0	111	Y133 R134 L139 H141 F160	Y133-A137 VanDerWaalsContact O-CB 3.26Å; Y133-A137 WeakPolarHBondContact O-CB 3.27Å; Y133-A137 PolarHBondContact O-N 3.17Å; R134-A137 PolarHBondContact O-N 3.16Å; A137-L139 PolarHBondContact O-N 3.47Å; A137-H141 WeakPolarHBondContact O-CB 3.33Å; A137-H141 PolarHBondContact O-N 2.83Å; A137-H141 VanDerWaalsContact O-N 3.13Å; A137-F160 HydrophobicContact CB-CE2 4.04Å
138	L	85.5	Confident	81.4	Confident	99 Å²	99	59.8 Å²	59.8	52%	0.518	31%	0.307	S	S	.	.	H	α-helix	trans	-67.6	-17.4	176	-69.3	171.4	0	0	0	114.1	R134 C135 K136 K144	R134-L138 WeakPolarHBondContact O-CB 3.49Å; R134-L138 VanDerWaalsContact O-CG 3.24Å; R134-L138 WeakPolarHBondContact O-CG 3.26Å; R134-L138 PolarHBondContact O-N 2.97Å; C135-L138 PolarHBondContact O-N 3.19Å; K136-L138 VanDerWaalsContact C-N 3.31Å; K136-L138 PolarHBondContact O-N 3.32Å; L138-K144 WeakPolarHBondContact O-CD 3.45Å; L138-K144 WeakPolarHBondContact O-CE 3.47Å; L138-K144 PolarHBondContact O-NZ 3.07Å
139	L	82.9	Confident	79.4	Confident	55 Å²	55	62.4 Å²	62.4	29%	0.288	33%	0.334	S	S	.	.	H	α-helix	trans	-97.3	-46.1	178.9	-69	167.5	0	0	0	112.2	N89 C135 K136 A137	N89-L139 HydrophobicContact CB-CD1 3.64Å; N89-L139 VanDerWaalsContact CG-CD1 3.46Å; C135-L139 WeakPolarHBondContact O-CG 3.31Å; C135-L139 PolarHBondContact O-N 3.38Å; K136-L139 PolarHBondContact O-N 2.9Å; K136-L139 VanDerWaalsContact O-N 3.14Å; A137-L139 PolarHBondContact O-N 3.47Å
140	F	82.5	Confident	77.4	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.018	37%	0.374	C	S	.	.	H	α-helix	trans	-102	-4	-168.9	-61.2	-70.4	0	0	0	114.5	Y94 L98 K136 R145 L155 M159 F160	Y94-F140 HydrophobicContact CE1-CE2 4.27Å; Y94-F140 HydrophobicContact CE1-CZ 4.25Å; L98-F140 HydrophobicContact CD1-CD2 4.49Å; L98-F140 HydrophobicContact CD1-CE1 4.31Å; L98-F140 HydrophobicContact CD1-CE2 3.9Å; L98-F140 HydrophobicContact CD1-CZ 3.81Å; K136-F140 HydrophobicContact CB-CD2 4.2Å; K136-F140 HydrophobicContact CD-CD2 4.25Å; K136-F140 HydrophobicContact CD-CE2 3.79Å; K136-F140 WeakPolarHBondContact O-CD2 3.2Å; K136-F140 PolarHBondContact O-N 3.14Å; F140-R145 PolarHBondContact O-NH2 3.27Å; F140-L155 HydrophobicContact CD1-CD2 3.46Å; F140-L155 VanDerWaalsContact CD1-CD2 3.46Å; F140-L155 HydrophobicContact CE1-CD2 3.81Å; F140-M159 HydrophobicContact CD1-SD 4.08Å; F140-M159 HydrophobicContact CE1-SD 4.22Å; F140-F160 HydrophobicContact CB-CB 4.49Å; F140-F160 HydrophobicContact CB-CD2 4.43Å; F140-F160 WeakPolarHBondContact O-CB 3.47Å
141	H	84	Confident	75.6	Confident	71 Å²	71	69 Å²	69	33%	0.329	39%	0.391	S	S	.	.			trans	-61.3	136.6	-178.3	-174.9	-87.1	0	0	0	112.2	A137 D143 K144 F160	A137-H141 WeakPolarHBondContact O-CB 3.33Å; A137-H141 PolarHBondContact O-N 2.83Å; A137-H141 VanDerWaalsContact O-N 3.13Å; H141-D143 VanDerWaalsContact C-N 3.28Å; H141-D143 VanDerWaalsContact CE1-CB 3.48Å; H141-D143 WeakPolarHBondContact CE1-CB 3.44Å; H141-D143 WeakPolarHBondContact ND1-CB 3.09Å; H141-D143 PolarHBondContact ND1-N 3.36Å; H141-D143 VanDerWaalsContact ND1-N 3.18Å; H141-D143 PolarHBondContact O-N 3.14Å; H141-K144 PolarHBondContact O-N 3.28Å; H141-F160 HydrophobicContact CB-CE2 4.33Å; H141-F160 AromaticContact CD2-CZ 3.71Å
142	P	81.4	Confident	73.5	Confident	54 Å²	54	78.2 Å²	78.2	35%	0.351	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-56.3	-37.5	-173.8	20.2	-33.8	0	0	0	113.9	K144 R145	P142-K144 VanDerWaalsContact C-N 3.25Å; P142-K144 PolarHBondContact O-N 3.31Å; P142-R145 WeakPolarHBondContact O-CB 3.47Å; P142-R145 WeakPolarHBondContact O-CG 3.48Å; P142-R145 PolarHBondContact O-N 3.09Å
143	D	78.6	Confident	71.7	Confident	130 Å²	130	81.7 Å²	81.7	70%	0.695	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-63.3	-28	179.7	-166.1	48.4	0	0	0	113.6	H141	H141-D143 VanDerWaalsContact C-N 3.28Å; H141-D143 VanDerWaalsContact CE1-CB 3.48Å; H141-D143 WeakPolarHBondContact CE1-CB 3.44Å; H141-D143 WeakPolarHBondContact ND1-CB 3.09Å; H141-D143 PolarHBondContact ND1-N 3.36Å; H141-D143 VanDerWaalsContact ND1-N 3.18Å; H141-D143 PolarHBondContact O-N 3.14Å
144	K	71	Confident	70	Confident	70 Å²	70	84.1 Å²	84.1	30%	0.304	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-85.6	-8.5	-178.7	-66	-174.2	170.5	-148.9	0	113.8	L138 H141 P142 S146 T147 F148	L138-K144 WeakPolarHBondContact O-CD 3.45Å; L138-K144 WeakPolarHBondContact O-CE 3.47Å; L138-K144 PolarHBondContact O-NZ 3.07Å; H141-K144 PolarHBondContact O-N 3.28Å; P142-K144 VanDerWaalsContact C-N 3.25Å; P142-K144 PolarHBondContact O-N 3.31Å; K144-S146 PolarHBondContact O-N 3.17Å; K144-T147 PolarHBondContact O-N 3.43Å; K144-T147 VanDerWaalsContact O-N 3.08Å; K144-T147 PolarHBondContact O-OG1 3.5Å; K144-F148 WeakPolarHBondContact O-CD2 3.38Å
145	R	64.2	Low	68.5	Low	57 Å²	57	79 Å²	79	22%	0.215	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-62	-30	178.6	-64.7	-177.3	-174.8	146.5	15.8	112.1	F140 P142 T147 F148 A149 L155 T156 D157	F140-R145 PolarHBondContact O-NH2 3.27Å; P142-R145 WeakPolarHBondContact O-CB 3.47Å; P142-R145 WeakPolarHBondContact O-CG 3.48Å; P142-R145 PolarHBondContact O-N 3.09Å; R145-T147 PolarHBondContact O-N 3.01Å; R145-F148 PolarHBondContact O-N 3.29Å; R145-A149 PolarHBondContact O-N 2.98Å; R145-L155 HydrophobicContact CG-CB 4.11Å; R145-L155 HydrophobicContact CG-CD1 4.19Å; R145-L155 PolarHBondContact NE-O 2.88Å; R145-T156 PolarHBondContact NH2-O 2.9Å; R145-D157 IonicContact CZ-OD1 2.7Å; R145-D157 VanDerWaalsContact NH1-CA 3.34Å; R145-D157 IonicContact NH1-OD1 3.31Å; R145-D157 PolarHBondContact NH1-OD1 2.88Å; R145-D157 IonicContact NH2-OD1 3.32Å; R145-D157 PolarHBondContact NH2-OD1 3.25Å
146	S	56.8	Low	67.6	Low	104 Å²	104	78.8 Å²	78.8	73%	0.727	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-65.3	-24.6	176.9	-170.8	0	0	0	0	113.1	K144	K144-S146 PolarHBondContact O-N 3.17Å
147	T	56.5	Low	66.9	Low	115 Å²	115	82.7 Å²	82.7	71%	0.706	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-81.6	-26	-177.9	-23.1	0	0	0	0	112.4	K144 R145	K144-T147 PolarHBondContact O-N 3.43Å; K144-T147 VanDerWaalsContact O-N 3.08Å; K144-T147 PolarHBondContact O-OG1 3.5Å; R145-T147 PolarHBondContact O-N 3.01Å
148	F	53.7	Low	66.8	Low	88 Å²	88	85.3 Å²	85.3	39%	0.386	48%	0.475	S	S	.	.	S	Bend	trans	-101.4	7.4	-178.9	-65.8	-80.6	0	0	0	114	K144 R145 G150 E151	K144-F148 WeakPolarHBondContact O-CD2 3.38Å; R145-F148 PolarHBondContact O-N 3.29Å; F148-G150 PolarHBondContact O-N 3.32Å; F148-E151 PolarHBondContact O-N 2.8Å
149	A	51.2	Low	66.8	Low	88 Å²	88	80.6 Å²	80.6	73%	0.727	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-3.1	-174.3	0	0	0	0	0	116.2	R145	R145-A149 PolarHBondContact O-N 2.98Å
150	G	51.8	Low	67.1	Low	81 Å²	81	79.5 Å²	79.5	84%	0.835	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-22.1	174.3	0	0	0	0	0	115.5	F148	F148-G150 PolarHBondContact O-N 3.32Å
151	E	53.1	Low	67.5	Low	153 Å²	153	81.8 Å²	81.8	72%	0.715	46%	0.458	S	S	*	.	S	Bend	trans	-111.8	134.5	179.7	-73.5	-177.8	166	0	0	109.6	F148 Q153	F148-E151 PolarHBondContact O-N 2.8Å; E151-Q153 PolarHBondContact O-N 2.82Å
152	K	47.8	Very low	67.9	Low	214 Å²	214	78.4 Å²	78.4	93%	0.93	44%	0.442	S	S	*	.			trans	-69.1	45.2	-174.5	-65.1	176.2	176.9	175.3	0	113.1	V154	K152-V154 PolarHBondContact O-N 3.49Å
153	Q	54.3	Low	68.4	Low	74 Å²	74	75.8 Å²	75.8	35%	0.346	43%	0.425	S	S	.	.			trans	-76.3	109.7	168.5	-150.6	169.3	15.2	0	0	106.4	E151 L155	E151-Q153 PolarHBondContact O-N 2.82Å; Q153-L155 HydrophobicContact CB-CD1 4.45Å; Q153-L155 HydrophobicContact CB-CG 4.18Å; Q153-L155 HydrophobicContact CG-CD2 4.33Å; Q153-L155 HydrophobicContact CG-CG 4.18Å; Q153-L155 PolarHBondContact O-N 3.25Å
154	V	57.7	Low	69.1	Low	103 Å²	103	71.1 Å²	71.1	62%	0.624	40%	0.401	S	S	*	.			trans	-67.9	72.2	177.2	-178.5	0	0	0	0	108.1	K152 T156 M159	K152-V154 PolarHBondContact O-N 3.49Å; V154-T156 HydrophobicContact CG1-CG2 3.9Å; V154-T156 PolarHBondContact O-N 3.1Å; V154-T156 VanDerWaalsContact O-N 3.1Å; V154-M159 WeakPolarHBondContact O-CE 3.35Å
155	L	60.8	Low	70.1	Confident	28 Å²	28	72.8 Å²	72.8	15%	0.147	41%	0.406	C	S	.	.			trans	-79.4	87.7	177.7	-69.7	167.3	0	0	0	108.1	F140 R145 Q153 M159	F140-L155 HydrophobicContact CD1-CD2 3.46Å; F140-L155 VanDerWaalsContact CD1-CD2 3.46Å; F140-L155 HydrophobicContact CE1-CD2 3.81Å; R145-L155 HydrophobicContact CG-CB 4.11Å; R145-L155 HydrophobicContact CG-CD1 4.19Å; R145-L155 PolarHBondContact NE-O 2.88Å; Q153-L155 HydrophobicContact CB-CD1 4.45Å; Q153-L155 HydrophobicContact CB-CG 4.18Å; Q153-L155 HydrophobicContact CG-CD2 4.33Å; Q153-L155 HydrophobicContact CG-CG 4.18Å; Q153-L155 PolarHBondContact O-N 3.25Å; L155-M159 HydrophobicContact CD2-SD 4.37Å
156	T	69.7	Low	71.5	Confident	42 Å²	42	70 Å²	70	26%	0.258	40%	0.396	S	S	.	.			trans	-77.8	151.7	175.4	57.3	0	0	0	0	111.3	R145 V154 D158 M159	R145-T156 PolarHBondContact NH2-O 2.9Å; V154-T156 HydrophobicContact CG1-CG2 3.9Å; V154-T156 PolarHBondContact O-N 3.1Å; V154-T156 VanDerWaalsContact O-N 3.1Å; T156-D158 PolarHBondContact O-N 3.44Å; T156-M159 PolarHBondContact O-N 2.91Å; T156-M159 WeakPolarHBondContact OG1-CG 3.05Å
157	D	73.6	Confident	73.3	Confident	87 Å²	87	67.3 Å²	67.3	47%	0.465	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-28	176.4	-152.4	48.5	0	0	0	113.5	R145 M159 F160 T161	R145-D157 IonicContact CZ-OD1 2.7Å; R145-D157 VanDerWaalsContact NH1-CA 3.34Å; R145-D157 IonicContact NH1-OD1 3.31Å; R145-D157 PolarHBondContact NH1-OD1 2.88Å; R145-D157 IonicContact NH2-OD1 3.32Å; R145-D157 PolarHBondContact NH2-OD1 3.25Å; D157-M159 VanDerWaalsContact C-N 3.32Å; D157-M159 PolarHBondContact O-N 3.49Å; D157-F160 PolarHBondContact O-N 3.19Å; D157-T161 PolarHBondContact O-N 3.37Å; D157-T161 PolarHBondContact O-OG1 2.88Å
158	D	84.8	Confident	75.1	Confident	74 Å²	74	66.1 Å²	66.1	40%	0.396	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-36.2	178.2	-60.1	-26.1	0	0	0	112.9	P103 T156 T161 C162	P103-D158 HydrophobicContact CG-CB 3.99Å; T156-D158 PolarHBondContact O-N 3.44Å; D158-T161 PolarHBondContact O-N 3.06Å; D158-C162 PolarHBondContact O-N 3.47Å; D158-C162 PolarHBondContact O-SG 3.38Å
159	M	85.6	Confident	77	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-49.8	-179.6	-69.4	174.6	174.2	0	0	111.8	L98 A99 F140 V154 L155 T156 D157 T161 C162 V163	L98-M159 HydrophobicContact CB-CG 4.3Å; A99-M159 HydrophobicContact CB-CE 3.31Å; F140-M159 HydrophobicContact CD1-SD 4.08Å; F140-M159 HydrophobicContact CE1-SD 4.22Å; V154-M159 WeakPolarHBondContact O-CE 3.35Å; L155-M159 HydrophobicContact CD2-SD 4.37Å; T156-M159 PolarHBondContact O-N 2.91Å; T156-M159 WeakPolarHBondContact OG1-CG 3.05Å; D157-M159 VanDerWaalsContact C-N 3.32Å; D157-M159 PolarHBondContact O-N 3.49Å; M159-T161 VanDerWaalsContact C-N 3.3Å; M159-T161 PolarHBondContact O-N 3.46Å; M159-C162 PolarHBondContact O-N 2.84Å; M159-V163 WeakPolarHBondContact O-CG2 3.42Å; M159-V163 PolarHBondContact O-N 3.16Å
160	F	89.7	Confident	79	Confident	32 Å²	32	58.1 Å²	58.1	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-38.7	-179	-176.5	-111.5	0	0	0	110.8	A137 F140 H141 D157 C162 V163 T164	A137-F160 HydrophobicContact CB-CE2 4.04Å; F140-F160 HydrophobicContact CB-CB 4.49Å; F140-F160 HydrophobicContact CB-CD2 4.43Å; F140-F160 WeakPolarHBondContact O-CB 3.47Å; H141-F160 HydrophobicContact CB-CE2 4.33Å; H141-F160 AromaticContact CD2-CZ 3.71Å; D157-F160 PolarHBondContact O-N 3.19Å; F160-C162 VanDerWaalsContact C-N 3.34Å; F160-C162 PolarHBondContact O-N 3.34Å; F160-V163 PolarHBondContact O-N 2.95Å; F160-V163 VanDerWaalsContact O-N 3.16Å; F160-T164 PolarHBondContact O-N 3.14Å; F160-T164 PolarHBondContact O-OG1 3.03Å; F160-T164 VanDerWaalsContact O-OG1 3.11Å
161	T	91.2	Very high	80.9	Confident	51 Å²	51	55.6 Å²	55.6	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-58.5	-44.8	174.3	-57.8	0	0	0	0	111.5	P103 D157 D158 M159 T164 R165	P103-T161 HydrophobicContact CB-CG2 3.88Å; D157-T161 PolarHBondContact O-N 3.37Å; D157-T161 PolarHBondContact O-OG1 2.88Å; D158-T161 PolarHBondContact O-N 3.06Å; M159-T161 VanDerWaalsContact C-N 3.3Å; M159-T161 PolarHBondContact O-N 3.46Å; T161-T164 PolarHBondContact O-N 3.37Å; T161-R165 WeakPolarHBondContact O-CG 3.05Å; T161-R165 PolarHBondContact O-N 2.82Å
162	C	92.1	Very high	82.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-43.8	174.5	-64.3	0	0	0	0	111.8	Q109 V114 D158 M159 F160 T164 R165 A166	Q109-C162 PolarHBondContact NE2-SG 3.08Å; Q109-C162 VanDerWaalsContact NE2-SG 3.41Å; V114-C162 HydrophobicContact CG1-CB 4.26Å; D158-C162 PolarHBondContact O-N 3.47Å; D158-C162 PolarHBondContact O-SG 3.38Å; M159-C162 PolarHBondContact O-N 2.84Å; F160-C162 VanDerWaalsContact C-N 3.34Å; F160-C162 PolarHBondContact O-N 3.34Å; C162-T164 PolarHBondContact O-N 3.31Å; C162-R165 PolarHBondContact O-N 3.34Å; C162-A166 WeakPolarHBondContact O-CB 3.38Å; C162-A166 PolarHBondContact O-N 3.44Å
163	V	92.1	Very high	84.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-43.2	176.8	171.4	0	0	0	0	111.9	V114 L115 Y133 K136 M159 F160 A166 Y167	V114-V163 HydrophobicContact CG1-CG2 4.06Å; L115-V163 HydrophobicContact CD1-CG1 4.35Å; Y133-V163 HydrophobicContact CD2-CG1 3.98Å; Y133-V163 HydrophobicContact CE2-CG1 4.15Å; K136-V163 HydrophobicContact CB-CG1 3.79Å; M159-V163 WeakPolarHBondContact O-CG2 3.42Å; M159-V163 PolarHBondContact O-N 3.16Å; F160-V163 PolarHBondContact O-N 2.95Å; F160-V163 VanDerWaalsContact O-N 3.16Å; V163-A166 PolarHBondContact O-N 2.87Å; V163-Y167 PolarHBondContact O-N 3.13Å
164	T	92.7	Very high	86.6	Confident	31 Å²	31	51.1 Å²	51.1	19%	0.19	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-44.9	176.2	-58.5	0	0	0	0	111.2	F160 T161 C162 A166 Y167 E168	F160-T164 PolarHBondContact O-N 3.14Å; F160-T164 PolarHBondContact O-OG1 3.03Å; F160-T164 VanDerWaalsContact O-OG1 3.11Å; T161-T164 PolarHBondContact O-N 3.37Å; C162-T164 PolarHBondContact O-N 3.31Å; T164-A166 PolarHBondContact O-N 3.18Å; T164-Y167 PolarHBondContact O-N 3.44Å; T164-E168 WeakPolarHBondContact O-CG 3.36Å; T164-E168 PolarHBondContact O-N 3.5Å
165	R	92.2	Very high	88.2	Confident	105 Å²	105	48.3 Å²	48.3	40%	0.396	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-39.7	176.2	-69.6	-59.6	-171.6	-167.1	2	113.1	W106 T161 C162 E168 T169	W106-R165 HydrophobicContact CB-CB 4.27Å; W106-R165 HydrophobicContact CB-CG 4.26Å; W106-R165 HydrophobicContact CG-CG 4.41Å; T161-R165 WeakPolarHBondContact O-CG 3.05Å; T161-R165 PolarHBondContact O-N 2.82Å; C162-R165 PolarHBondContact O-N 3.34Å; R165-E168 WeakPolarHBondContact CD-OE2 3.46Å; R165-E168 IonicContact CZ-OE2 3.51Å; R165-E168 IonicContact NH1-OE2 3.95Å; R165-E168 PolarHBondContact NH1-OE2 2.77Å; R165-E168 PolarHBondContact O-N 3.41Å; R165-T169 PolarHBondContact O-N 3.47Å; R165-T169 PolarHBondContact O-OG1 3.02Å
166	A	93.9	Very high	89.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-43.7	174.9	0	0	0	0	0	112	Q111 V114 C162 V163 T164 T169 L170	Q111-A166 HydrophobicContact CB-CB 4.21Å; V114-A166 HydrophobicContact CB-CB 3.89Å; V114-A166 HydrophobicContact CG1-CB 3.61Å; C162-A166 WeakPolarHBondContact O-CB 3.38Å; C162-A166 PolarHBondContact O-N 3.44Å; V163-A166 PolarHBondContact O-N 2.87Å; T164-A166 PolarHBondContact O-N 3.18Å; A166-T169 PolarHBondContact O-N 3.39Å; A166-L170 WeakPolarHBondContact O-CB 3.44Å; A166-L170 WeakPolarHBondContact O-CG 3.34Å; A166-L170 PolarHBondContact O-N 3.19Å
167	Y	95.2	Very high	90.9	Very high	47 Å²	47	50 Å²	50	18%	0.184	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-42.7	174.8	178.7	-109.3	0	0	0	112.8	I129 R130 Y133 V163 T164 T169 L170 S171	I129-Y167 HydrophobicContact CG2-CD2 3.99Å; I129-Y167 HydrophobicContact CG2-CE2 4.12Å; R130-Y167 HydrophobicContact CG-CE2 4.13Å; Y133-Y167 VanDerWaalsContact CB-CD2 3.47Å; Y133-Y167 AromaticContact CD1-CD1 3.79Å; Y133-Y167 HydrophobicContact CD1-CD1 3.79Å; Y133-Y167 AromaticContact CD1-CD2 3.95Å; Y133-Y167 HydrophobicContact CD1-CD2 3.95Å; Y133-Y167 AromaticContact CD1-CE1 3.91Å; Y133-Y167 HydrophobicContact CD1-CE1 3.91Å; Y133-Y167 HydrophobicContact CD1-CE2 4.07Å; Y133-Y167 AromaticContact CD1-CG 3.8Å; Y133-Y167 HydrophobicContact CD1-CG 3.8Å; Y133-Y167 HydrophobicContact CD2-CD1 4.05Å; Y133-Y167 HydrophobicContact CD2-CD2 4.05Å; Y133-Y167 AromaticContact CD2-CG 3.54Å; Y133-Y167 HydrophobicContact CD2-CG 3.54Å; Y133-Y167 AromaticContact CE1-CD1 3.78Å; Y133-Y167 HydrophobicContact CE1-CD1 3.78Å; Y133-Y167 AromaticContact CE1-CE1 3.95Å; Y133-Y167 HydrophobicContact CE1-CE1 3.95Å; Y133-Y167 HydrophobicContact CE1-CG 4.19Å; Y133-Y167 HydrophobicContact CE2-CD1 4.03Å; Y133-Y167 AromaticContact CE2-CG 3.95Å; Y133-Y167 HydrophobicContact CE2-CG 3.95Å; Y133-Y167 AromaticContact CG-CD1 3.91Å; Y133-Y167 HydrophobicContact CG-CD1 3.91Å; Y133-Y167 AromaticContact CG-CD2 3.54Å; Y133-Y167 HydrophobicContact CG-CD2 3.54Å; Y133-Y167 HydrophobicContact CG-CE1 4.4Å; Y133-Y167 HydrophobicContact CG-CE2 4.08Å; Y133-Y167 AromaticContact CG-CG 3.44Å; Y133-Y167 HydrophobicContact CG-CG 3.44Å; Y133-Y167 VanDerWaalsContact CG-CG 3.44Å; Y133-Y167 AromaticContact CZ-CD1 3.89Å; V163-Y167 PolarHBondContact O-N 3.13Å; T164-Y167 PolarHBondContact O-N 3.44Å; Y167-T169 VanDerWaalsContact C-N 3.25Å; Y167-T169 PolarHBondContact O-N 3.29Å; Y167-L170 PolarHBondContact O-N 2.89Å; Y167-S171 WeakPolarHBondContact O-CA 3.36Å; Y167-S171 WeakPolarHBondContact O-CB 3.29Å; Y167-S171 PolarHBondContact O-N 3.3Å; Y167-S171 PolarHBondContact O-OG 2.98Å
168	E	93.8	Very high	91.8	Very high	90 Å²	90	46.4 Å²	46.4	42%	0.421	24%	0.235	S	C	.	.	H	α-helix	trans	-56	-41.9	174.5	-75.1	174.9	175.8	0	0	111.7	T164 R165 S171	T164-E168 WeakPolarHBondContact O-CG 3.36Å; T164-E168 PolarHBondContact O-N 3.5Å; R165-E168 WeakPolarHBondContact CD-OE2 3.46Å; R165-E168 IonicContact CZ-OE2 3.51Å; R165-E168 IonicContact NH1-OE2 3.95Å; R165-E168 PolarHBondContact NH1-OE2 2.77Å; R165-E168 PolarHBondContact O-N 3.41Å; E168-S171 PolarHBondContact O-OG 3.39Å
169	T	92.8	Very high	92.2	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.043	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-47.8	178.3	-59.6	0	0	0	0	112.1	Q111 R165 A166 Y167 T175 R176 Y179 W252	Q111-T169 HydrophobicContact CG-CG2 4.16Å; R165-T169 PolarHBondContact O-N 3.47Å; R165-T169 PolarHBondContact O-OG1 3.02Å; A166-T169 PolarHBondContact O-N 3.39Å; Y167-T169 VanDerWaalsContact C-N 3.25Å; Y167-T169 PolarHBondContact O-N 3.29Å; T169-T175 WeakPolarHBondContact O-CB 3.28Å; T169-T175 PolarHBondContact O-OG1 3.22Å; T169-R176 PolarHBondContact O-N 3.32Å; T169-R176 VanDerWaalsContact O-N 3.11Å; T169-Y179 HydrophobicContact CG2-CG 4.29Å; T169-W252 HydrophobicContact CG2-CH2 3.35Å; T169-W252 HydrophobicContact CG2-CZ2 4.3Å; T169-W252 HydrophobicContact CG2-CZ3 3.57Å
170	L	94.8	Very high	92.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-84.4	-19.1	-173.6	-65.1	179.4	0	0	0	114	Q111 Y112 L115 I129 A166 Y167 R176 Y179	Q111-L170 HydrophobicContact CB-CD1 4.19Å; Q111-L170 HydrophobicContact CB-CD2 4.44Å; Q111-L170 HydrophobicContact CB-CG 4.19Å; Y112-L170 HydrophobicContact CD1-CD1 3.71Å; Y112-L170 HydrophobicContact CD1-CD2 4.28Å; Y112-L170 HydrophobicContact CE1-CD1 3.77Å; Y112-L170 HydrophobicContact CE1-CD2 3.7Å; Y112-L170 HydrophobicContact CE1-CG 4.37Å; Y112-L170 HydrophobicContact CE2-CD2 4.02Å; Y112-L170 HydrophobicContact CG-CD1 4.33Å; L115-L170 HydrophobicContact CB-CD1 4.42Å; L115-L170 HydrophobicContact CD2-CD1 4Å; I129-L170 HydrophobicContact CD1-CB 4.22Å; I129-L170 HydrophobicContact CG2-CB 4Å; A166-L170 WeakPolarHBondContact O-CB 3.44Å; A166-L170 WeakPolarHBondContact O-CG 3.34Å; A166-L170 PolarHBondContact O-N 3.19Å; Y167-L170 PolarHBondContact O-N 2.89Å; L170-R176 HydrophobicContact CD2-CG 4.14Å; L170-Y179 HydrophobicContact CD2-CD1 4.19Å
171	S	91.9	Very high	92.8	Very high	27 Å²	27	42.8 Å²	42.8	19%	0.189	22%	0.217	C	C	.	.	H	α-helix	trans	-75.6	-37.9	-179.1	60.1	0	0	0	0	112.8	Y126 Y167 E168	Y126-S171 WeakPolarHBondContact CE2-O 2.98Å; Y167-S171 WeakPolarHBondContact O-CA 3.36Å; Y167-S171 WeakPolarHBondContact O-CB 3.29Å; Y167-S171 PolarHBondContact O-N 3.3Å; Y167-S171 PolarHBondContact O-OG 2.98Å; E168-S171 PolarHBondContact O-OG 3.39Å
172	N	91.4	Very high	92.8	Very high	75 Å²	75	41.6 Å²	41.6	40%	0.401	21%	0.209	S	C	.	.	S	Bend	trans	-85.4	123.1	177.4	177.8	-15.6	0	0	0	110.2	K174 T175 R176	N172-K174 PolarHBondContact O-N 2.83Å; N172-K174 VanDerWaalsContact O-N 3.11Å; N172-K174 PolarHBondContact OD1-N 2.97Å; N172-T175 WeakPolarHBondContact CB-OG1 3.33Å; N172-T175 PolarHBondContact O-N 3.07Å; N172-T175 PolarHBondContact O-OG1 2.91Å; N172-R176 VanDerWaalsContact O-CB 3.3Å; N172-R176 WeakPolarHBondContact O-CB 3.42Å; N172-R176 PolarHBondContact O-N 2.97Å
173	P	92	Very high	92.8	Very high	101 Å²	101	41.9 Å²	41.9	66%	0.656	21%	0.211	S	C	*	.	H	α-helix	trans	-55.5	-33	-178.5	-27.1	34.5	0	0	0	114.3	L177	P173-L177 WeakPolarHBondContact O-CB 3.46Å; P173-L177 PolarHBondContact O-N 3.16Å
174	K	91.6	Very high	92.6	Very high	171 Å²	171	47.5 Å²	47.5	74%	0.743	25%	0.247	S	C	*	.	H	α-helix	trans	-72.5	-47.6	-177.9	-66	-175.8	180	179.4	0	112	N172 L177 S178	N172-K174 PolarHBondContact O-N 2.83Å; N172-K174 VanDerWaalsContact O-N 3.11Å; N172-K174 PolarHBondContact OD1-N 2.97Å; K174-L177 PolarHBondContact O-N 3.46Å; K174-S178 PolarHBondContact O-N 3.03Å; K174-S178 PolarHBondContact O-OG 3.39Å
175	T	91.2	Very high	92.4	Very high	45 Å²	45	52.4 Å²	52.4	28%	0.276	27%	0.268	S	S	.	.	H	α-helix	trans	-68.9	-41	179.2	48.4	0	0	0	0	110.5	T169 N172 L177 S178 Y179	T169-T175 WeakPolarHBondContact O-CB 3.28Å; T169-T175 PolarHBondContact O-OG1 3.22Å; N172-T175 WeakPolarHBondContact CB-OG1 3.33Å; N172-T175 PolarHBondContact O-N 3.07Å; N172-T175 PolarHBondContact O-OG1 2.91Å; T175-L177 PolarHBondContact O-N 2.99Å; T175-S178 WeakPolarHBondContact CA-OG 3.27Å; T175-S178 PolarHBondContact O-N 2.92Å; T175-S178 PolarHBondContact O-OG 3.42Å; T175-Y179 WeakPolarHBondContact O-CB 3.31Å; T175-Y179 PolarHBondContact O-N 2.85Å
176	R	94.3	Very high	92.4	Very high	37 Å²	37	48.1 Å²	48.1	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-56.6	-50.8	172.6	179.8	179.2	167.3	174.1	2.3	111.3	Y112 Y122 A124 T169 L170 N172 S178 Y179 D180	Y112-R176 PolarHBondContact OH-NE 3.3Å; Y122-R176 PolarHBondContact O-NH2 3.48Å; A124-R176 VanDerWaalsContact O-CZ 3.24Å; A124-R176 PolarHBondContact O-NH1 3.43Å; A124-R176 PolarHBondContact O-NH2 2.85Å; T169-R176 PolarHBondContact O-N 3.32Å; T169-R176 VanDerWaalsContact O-N 3.11Å; L170-R176 HydrophobicContact CD2-CG 4.14Å; N172-R176 VanDerWaalsContact O-CB 3.3Å; N172-R176 WeakPolarHBondContact O-CB 3.42Å; N172-R176 PolarHBondContact O-N 2.97Å; R176-S178 VanDerWaalsContact C-N 3.3Å; R176-S178 PolarHBondContact O-N 3.37Å; R176-Y179 WeakPolarHBondContact O-CB 3.48Å; R176-Y179 PolarHBondContact O-N 3.42Å; R176-Y179 VanDerWaalsContact O-N 3.14Å; R176-D180 WeakPolarHBondContact CG-OD2 3.48Å; R176-D180 IonicContact NE-OD2 3.93Å; R176-D180 PolarHBondContact NE-OD2 3.01Å; R176-D180 WeakPolarHBondContact O-CB 3.47Å; R176-D180 PolarHBondContact O-N 2.93Å
177	L	92.4	Very high	92.2	Very high	68 Å²	68	51 Å²	51	36%	0.356	27%	0.268	S	S	.	.	H	α-helix	trans	-58.1	-43.6	178.4	-177.7	150.7	0	0	0	111.7	P173 K174 T175 Y179 D180 C181 W247	P173-L177 WeakPolarHBondContact O-CB 3.46Å; P173-L177 PolarHBondContact O-N 3.16Å; K174-L177 PolarHBondContact O-N 3.46Å; T175-L177 PolarHBondContact O-N 2.99Å; L177-Y179 VanDerWaalsContact C-N 3.32Å; L177-Y179 PolarHBondContact O-N 3.4Å; L177-D180 PolarHBondContact O-N 3.08Å; L177-C181 PolarHBondContact O-N 3.02Å; L177-C181 VanDerWaalsContact O-N 3.16Å; L177-C181 PolarHBondContact O-SG 3.01Å; L177-W247 HydrophobicContact CD1-CE3 4.47Å; L177-W247 HydrophobicContact CD1-CH2 4.5Å; L177-W247 HydrophobicContact CD1-CZ3 3.95Å; L177-W247 HydrophobicContact CD2-CE3 4.28Å; L177-W247 HydrophobicContact CD2-CZ3 3.86Å; L177-W247 HydrophobicContact CG-CH2 4.47Å; L177-W247 HydrophobicContact CG-CZ3 3.79Å
178	S	92.3	Very high	92	Very high	11 Å²	11	51.4 Å²	51.4	8%	0.077	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-36.4	178.2	67.1	0	0	0	0	112.8	K174 T175 R176 S251 W252	K174-S178 PolarHBondContact O-N 3.03Å; K174-S178 PolarHBondContact O-OG 3.39Å; T175-S178 WeakPolarHBondContact CA-OG 3.27Å; T175-S178 PolarHBondContact O-N 2.92Å; T175-S178 PolarHBondContact O-OG 3.42Å; R176-S178 VanDerWaalsContact C-N 3.3Å; R176-S178 PolarHBondContact O-N 3.37Å; S178-S251 WeakPolarHBondContact CB-OG 3.4Å; S178-W252 WeakPolarHBondContact O-CB 3.36Å
179	Y	93.7	Very high	92	Very high	7 Å²	7	50.3 Å²	50.3	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-69.4	-50.1	175.5	177.3	-100.1	0	0	0	111.2	D110 Q111 Y112 T169 L170 T175 R176 L177 C181 V182 D183 W252	D110-Y179 WeakPolarHBondContact CA-OH 3.45Å; Q111-Y179 HydrophobicContact CB-CE1 4.03Å; Q111-Y179 HydrophobicContact CB-CE2 4.32Å; Q111-Y179 HydrophobicContact CG-CD2 4.07Å; Q111-Y179 HydrophobicContact CG-CE1 4.14Å; Q111-Y179 HydrophobicContact CG-CE2 3.56Å; Q111-Y179 PolarHBondContact N-OH 3.18Å; Y112-Y179 HydrophobicContact CD2-CD1 4.45Å; Y112-Y179 AromaticContact CD2-CE1 3.73Å; Y112-Y179 HydrophobicContact CD2-CE1 3.73Å; Y112-Y179 HydrophobicContact CE2-CD1 4.07Å; Y112-Y179 AromaticContact CE2-CE1 3.8Å; Y112-Y179 HydrophobicContact CE2-CE1 3.8Å; T169-Y179 HydrophobicContact CG2-CG 4.29Å; L170-Y179 HydrophobicContact CD2-CD1 4.19Å; T175-Y179 WeakPolarHBondContact O-CB 3.31Å; T175-Y179 PolarHBondContact O-N 2.85Å; R176-Y179 WeakPolarHBondContact O-CB 3.48Å; R176-Y179 PolarHBondContact O-N 3.42Å; R176-Y179 VanDerWaalsContact O-N 3.14Å; L177-Y179 VanDerWaalsContact C-N 3.32Å; L177-Y179 PolarHBondContact O-N 3.4Å; Y179-C181 PolarHBondContact O-N 2.92Å; Y179-C181 VanDerWaalsContact O-N 3.11Å; Y179-V182 CarbonylContact O-C 3.54Å; Y179-V182 PolarHBondContact O-N 2.73Å; Y179-D183 PolarHBondContact O-N 3.11Å; Y179-W252 HydrophobicContact CD2-CD2 4.07Å; Y179-W252 AromaticContact CD2-CE2 3.57Å; Y179-W252 HydrophobicContact CD2-CH2 4.23Å; Y179-W252 AromaticContact CD2-CZ2 3.66Å; Y179-W252 HydrophobicContact CD2-CZ2 3.66Å; Y179-W252 AromaticContact CD2-NE1 3.78Å; Y179-W252 HydrophobicContact CE2-CZ2 4.3Å
180	D	93.6	Very high	92.1	Very high	25 Å²	25	51.8 Å²	51.8	13%	0.134	29%	0.285	C	S	.	.	H	α-helix	trans	-57.9	-29.9	-179.4	-67.3	-3	0	0	0	112.2	Y112 R176 L177 V182 N186	Y112-D180 VanDerWaalsContact CE2-OD1 3.31Å; Y112-D180 WeakPolarHBondContact CE2-OD1 3.25Å; Y112-D180 PolarHBondContact OH-OD1 3.4Å; Y112-D180 PolarHBondContact OH-OD2 3.42Å; R176-D180 WeakPolarHBondContact CG-OD2 3.48Å; R176-D180 IonicContact NE-OD2 3.93Å; R176-D180 PolarHBondContact NE-OD2 3.01Å; R176-D180 WeakPolarHBondContact O-CB 3.47Å; R176-D180 PolarHBondContact O-N 2.93Å; L177-D180 PolarHBondContact O-N 3.08Å; D180-V182 VanDerWaalsContact C-N 3.31Å; D180-V182 PolarHBondContact O-N 3.2Å; D180-N186 PolarHBondContact O-ND2 3.22Å
181	C	93.4	Very high	92	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-28.1	176.4	-72.7	0	0	0	0	114	L177 Y179 N186 W247 R248 E249	L177-C181 PolarHBondContact O-N 3.02Å; L177-C181 VanDerWaalsContact O-N 3.16Å; L177-C181 PolarHBondContact O-SG 3.01Å; Y179-C181 PolarHBondContact O-N 2.92Å; Y179-C181 VanDerWaalsContact O-N 3.11Å; C181-N186 PolarHBondContact O-ND2 3.05Å; C181-W247 VanDerWaalsContact SG-CZ3 3.54Å; C181-R248 HydrophobicContact CB-CG 4.04Å; C181-R248 PolarHBondContact O-NE 3.35Å; C181-R248 PolarHBondContact O-NH2 3.35Å; C181-E249 WeakPolarHBondContact CB-O 3.43Å
182	V	92.2	Very high	92.1	Very high	26 Å²	26	55.3 Å²	55.3	16%	0.158	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	14.9	-174.5	-55.2	0	0	0	0	112.9	Y179 D180 P184 F250 W252 L253	Y179-V182 CarbonylContact O-C 3.54Å; Y179-V182 PolarHBondContact O-N 2.73Å; D180-V182 VanDerWaalsContact C-N 3.31Å; D180-V182 PolarHBondContact O-N 3.2Å; V182-P184 WeakPolarHBondContact O-CD 3.34Å; V182-F250 HydrophobicContact CG1-CD1 3.77Å; V182-F250 HydrophobicContact CG1-CE1 4.38Å; V182-W252 HydrophobicContact CG2-CB 3.61Å; V182-W252 VanDerWaalsContact CG2-CD1 3.48Å; V182-W252 HydrophobicContact CG2-CG 3.77Å; V182-L253 HydrophobicContact CB-CD1 4.46Å; V182-L253 HydrophobicContact CB-CD2 4.4Å; V182-L253 HydrophobicContact CB-CG 4.3Å; V182-L253 HydrophobicContact CG1-CD1 3.97Å; V182-L253 HydrophobicContact CG1-CG 4.01Å; V182-L253 HydrophobicContact CG2-CD2 4.3Å; V182-L253 HydrophobicContact CG2-CG 4.36Å
183	D	92	Very high	92.2	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.032	31%	0.307	C	S	.	.			trans	-52	123.8	172.8	-172.4	-17	0	0	0	109.8	R121 Y179 E185 N186	R121-D183 IonicContact NH1-OD1 3.81Å; R121-D183 IonicContact NH1-OD2 3.75Å; Y179-D183 PolarHBondContact O-N 3.11Å; D183-E185 PolarHBondContact O-N 3.12Å; D183-E185 PolarHBondContact OD1-N 2.94Å; D183-N186 PolarHBondContact N-ND2 3.28Å; D183-N186 WeakPolarHBondContact O-CB 3.38Å; D183-N186 PolarHBondContact O-N 3.34Å; D183-N186 PolarHBondContact O-ND2 2.94Å; D183-N186 VanDerWaalsContact O-ND2 3.13Å
184	P	87.6	Confident	92.2	Very high	118 Å²	118	52.5 Å²	52.5	77%	0.766	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.4	177.3	-26.9	35.9	0	0	0	114.6	V182 N186	V182-P184 WeakPolarHBondContact O-CD 3.34Å; P184-N186 PolarHBondContact O-N 3.39Å
185	E	88.7	Confident	92.1	Very high	133 Å²	133	49.9 Å²	49.9	62%	0.621	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-3.2	175.3	-66.6	-65.5	145.8	0	0	112.7	D183 D187	D183-E185 PolarHBondContact O-N 3.12Å; D183-E185 PolarHBondContact OD1-N 2.94Å; E185-D187 PolarHBondContact O-N 3.37Å
186	N	91.3	Very high	92	Very high	15 Å²	15	52 Å²	52	8%	0.08	29%	0.292	C	S	.	.	S	Bend	trans	-68.3	113.7	171.6	-68.8	-32.7	0	0	0	110	D180 C181 D183 P184 D188 R214 W215	D180-N186 PolarHBondContact O-ND2 3.22Å; C181-N186 PolarHBondContact O-ND2 3.05Å; D183-N186 PolarHBondContact N-ND2 3.28Å; D183-N186 WeakPolarHBondContact O-CB 3.38Å; D183-N186 PolarHBondContact O-N 3.34Å; D183-N186 PolarHBondContact O-ND2 2.94Å; D183-N186 VanDerWaalsContact O-ND2 3.13Å; P184-N186 PolarHBondContact O-N 3.39Å; N186-D188 PolarHBondContact O-N 3.42Å; N186-R214 PolarHBondContact OD1-NH1 2.94Å; N186-R214 PolarHBondContact OD1-NH2 3.29Å; N186-W215 HydrophobicContact CB-CZ2 4.49Å
187	D	90.3	Very high	91.8	Very high	61 Å²	61	50.4 Å²	50.4	33%	0.326	29%	0.287	S	S	.	.			trans	-70	95.7	173.1	-178.7	11.7	0	0	0	111.2	E185 S189 R211	E185-D187 PolarHBondContact O-N 3.37Å; D187-S189 VanDerWaalsContact C-N 3.33Å; D187-S189 WeakPolarHBondContact OD1-CB 3.4Å; D187-S189 PolarHBondContact OD1-N 2.98Å; D187-S189 PolarHBondContact OD1-OG 3.18Å; D187-S189 PolarHBondContact OD2-OG 3.28Å; D187-R211 IonicContact OD2-CZ 3.55Å; D187-R211 VanDerWaalsContact OD2-CZ 3.28Å; D187-R211 IonicContact OD2-NE 2.8Å; D187-R211 IonicContact OD2-NH1 3.92Å; D187-R211 PolarHBondContact OD2-NH1 3.02Å; D187-R211 IonicContact OD2-NH2 3.66Å
188	D	91.3	Very high	91.7	Very high	55 Å²	55	51.5 Å²	51.5	29%	0.294	29%	0.289	S	S	.	.			trans	-91.8	10.2	175.8	-75.1	-32.8	0	0	0	113.2	N186 R248 R288	N186-D188 PolarHBondContact O-N 3.42Å; D188-R248 IonicContact OD1-CZ 3.8Å; D188-R248 IonicContact OD1-NH1 2.83Å; D188-R248 PolarHBondContact OD1-NH1 3.47Å; D188-R248 IonicContact OD1-NH2 3.39Å; D188-R248 PolarHBondContact OD1-NH2 2.98Å; D188-R248 IonicContact OD2-CZ 3.85Å; D188-R248 IonicContact OD2-NH1 2.95Å; D188-R248 PolarHBondContact OD2-NH1 3.16Å; D188-R248 IonicContact OD2-NH2 3.49Å; D188-R248 PolarHBondContact OD2-NH2 3.37Å; D188-R288 VanDerWaalsContact C-NH1 3.33Å; D188-R288 WeakPolarHBondContact O-CD 3.43Å; D188-R288 PolarHBondContact O-NH1 2.86Å; D188-R288 IonicContact OD1-CZ 3.17Å; D188-R288 IonicContact OD1-NH1 2.56Å; D188-R288 PolarHBondContact OD1-NH1 3.41Å; D188-R288 IonicContact OD1-NH2 3.48Å; D188-R288 PolarHBondContact OD1-NH2 3.22Å
189	S	93	Very high	91.6	Very high	67 Å²	67	56 Å²	56	47%	0.469	31%	0.312	S	S	.	.			trans	-62.8	139.6	180	70.4	0	0	0	0	112.3	D187	D187-S189 VanDerWaalsContact C-N 3.33Å; D187-S189 WeakPolarHBondContact OD1-CB 3.4Å; D187-S189 PolarHBondContact OD1-N 2.98Å; D187-S189 PolarHBondContact OD1-OG 3.18Å; D187-S189 PolarHBondContact OD2-OG 3.28Å
190	V	94.6	Very high	91.6	Very high	39 Å²	39	59 Å²	59	24%	0.236	33%	0.329	C	S	.	.			trans	-110.1	116.8	176.5	177.6	0	0	0	0	108.3	R288 T291 L292	V190-R288 HydrophobicContact CG2-CG 3.57Å; V190-T291 HydrophobicContact CG1-CG2 4.33Å; V190-L292 HydrophobicContact CG1-CB 3.88Å; V190-L292 HydrophobicContact CG1-CD1 4.18Å; V190-L292 HydrophobicContact CG2-CB 4.32Å
191	P	93.2	Very high	91.6	Very high	17 Å²	17	58 Å²	58	11%	0.11	32%	0.323	C	S	.	.			trans	-55.2	127.2	177.6	-27.5	35.6	0	0	0	111.8	V204 F205 A208 L292 N295	P191-V204 HydrophobicContact CB-CG1 3.54Å; P191-V204 HydrophobicContact CG-CG1 3.65Å; P191-F205 HydrophobicContact CB-CE1 4.01Å; P191-F205 HydrophobicContact CB-CZ 4.12Å; P191-F205 HydrophobicContact CG-CD1 4.47Å; P191-F205 HydrophobicContact CG-CE1 4.35Å; P191-A208 HydrophobicContact CG-CB 4.03Å; P191-L292 HydrophobicContact CG-CD1 4.48Å; P191-N295 PolarHBondContact O-ND2 2.83Å
192	P	93.5	Very high	91.6	Very high	84 Å²	84	60.6 Å²	60.6	55%	0.545	33%	0.334	S	S	.	.			trans	-75.4	160.8	179.6	31.2	-35.1	0	0	0	111.4	C194 S197	P192-C194 PolarHBondContact O-N 3.27Å; P192-S197 WeakPolarHBondContact O-CB 3.39Å; P192-S197 PolarHBondContact O-OG 3.31Å
193	V	93.1	Very high	91.6	Very high	66 Å²	66	66.3 Å²	66.3	40%	0.4	36%	0.359	S	S	.	.	S	Bend	trans	-77.8	87.5	173	-178.4	0	0	0	0	109.2	N295 K298	V193-N295 HydrophobicContact CG2-CB 3.8Å; V193-K298 HydrophobicContact CG2-CB 4.32Å; V193-K298 HydrophobicContact CG2-CD 4.23Å
194	C	92.3	Very high	91.7	Very high	51 Å²	51	68 Å²	68	35%	0.345	37%	0.37	S	S	.	.	S	Bend	trans	-126.1	177.2	176	71.7	0	0	0	0	111.7	P192 S197 K198	P192-C194 PolarHBondContact O-N 3.27Å; C194-S197 PolarHBondContact O-N 2.98Å; C194-S197 PolarHBondContact SG-OG 3.35Å; C194-S197 VanDerWaalsContact SG-OG 3.39Å; C194-K198 WeakPolarHBondContact O-CG 3.37Å; C194-K198 PolarHBondContact O-N 2.96Å
195	Q	89.5	Confident	92	Very high	116 Å²	116	62.3 Å²	62.3	54%	0.542	33%	0.333	S	S	.	.	H	α-helix	trans	-62.9	-43.8	-179.7	-170.2	56.8	37.1	0	0	111.6	S197 K198 D199	Q195-S197 VanDerWaalsContact C-N 3.3Å; Q195-S197 PolarHBondContact O-N 2.85Å; Q195-K198 WeakPolarHBondContact O-CB 3.48Å; Q195-K198 PolarHBondContact O-N 2.94Å; Q195-D199 WeakPolarHBondContact CG-OD2 3.29Å; Q195-D199 PolarHBondContact NE2-OD1 2.93Å; Q195-D199 PolarHBondContact NE2-OD2 3.48Å; Q195-D199 VanDerWaalsContact NE2-OD2 3.13Å; Q195-D199 PolarHBondContact O-N 3.01Å
196	N	90.7	Very high	92.3	Very high	89 Å²	89	58.1 Å²	58.1	48%	0.476	32%	0.317	S	S	.	.	H	α-helix	trans	-57.6	-41	176.2	-177.7	55.1	0	0	0	112.7	K198 D199 N200	N196-K198 PolarHBondContact O-N 3.31Å; N196-D199 PolarHBondContact O-N 3.48Å; N196-N200 PolarHBondContact O-N 2.91Å; N196-N200 PolarHBondContact OD1-ND2 3.41Å
197	S	89.4	Confident	92.4	Very high	4 Å²	4	60.9 Å²	60.9	3%	0.028	33%	0.331	C	S	.	.	H	α-helix	trans	-70.9	-16	177.8	-59.5	0	0	0	0	113.9	P192 C194 Q195 F201	P192-S197 WeakPolarHBondContact O-CB 3.39Å; P192-S197 PolarHBondContact O-OG 3.31Å; C194-S197 PolarHBondContact O-N 2.98Å; C194-S197 PolarHBondContact SG-OG 3.35Å; C194-S197 VanDerWaalsContact SG-OG 3.39Å; Q195-S197 VanDerWaalsContact C-N 3.3Å; Q195-S197 PolarHBondContact O-N 2.85Å; S197-F201 VanDerWaalsContact O-CA 3.3Å; S197-F201 WeakPolarHBondContact O-CA 3.38Å
198	K	90.3	Very high	92.6	Very high	92 Å²	92	58.1 Å²	58.1	40%	0.4	32%	0.317	S	S	.	.	H	α-helix	trans	-87	-42.5	172.1	-67.4	173.5	-176.1	173.3	0	111.2	C194 Q195 N196 C299	C194-K198 WeakPolarHBondContact O-CG 3.37Å; C194-K198 PolarHBondContact O-N 2.96Å; Q195-K198 WeakPolarHBondContact O-CB 3.48Å; Q195-K198 PolarHBondContact O-N 2.94Å; N196-K198 PolarHBondContact O-N 3.31Å; K198-C299 HydrophobicContact CG-CB 4.14Å
199	D	90.6	Very high	92.9	Very high	106 Å²	106	55.6 Å²	55.6	57%	0.567	30%	0.303	S	S	*	.	H	α-helix	trans	-71.9	-44.7	-177.6	-60.5	-25.1	0	0	0	110.8	Q195 N196	Q195-D199 WeakPolarHBondContact CG-OD2 3.29Å; Q195-D199 PolarHBondContact NE2-OD1 2.93Å; Q195-D199 PolarHBondContact NE2-OD2 3.48Å; Q195-D199 VanDerWaalsContact NE2-OD2 3.13Å; Q195-D199 PolarHBondContact O-N 3.01Å; N196-D199 PolarHBondContact O-N 3.48Å
200	N	92.7	Very high	92.9	Very high	69 Å²	69	56.4 Å²	56.4	37%	0.369	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	37.1	179.4	-61.1	-38.2	0	0	0	112.4	N196 F202 E203 V204	N196-N200 PolarHBondContact O-N 2.91Å; N196-N200 PolarHBondContact OD1-ND2 3.41Å; N200-F202 PolarHBondContact O-N 3.35Å; N200-E203 PolarHBondContact O-N 3.33Å; N200-V204 HydrophobicContact CB-CG2 4.18Å; N200-V204 WeakPolarHBondContact O-CG2 3.34Å; N200-V204 PolarHBondContact O-N 2.9Å; N200-V204 VanDerWaalsContact O-N 3.08Å
201	F	93.7	Very high	92.8	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-50.8	-52.5	-172.9	171	-101.9	0	0	0	113.5	S197 E203 F205 L224 A296 C299 D300	S197-F201 VanDerWaalsContact O-CA 3.3Å; S197-F201 WeakPolarHBondContact O-CA 3.38Å; F201-E203 PolarHBondContact O-N 3.4Å; F201-F205 AromaticContact CD2-CD2 3.31Å; F201-F205 HydrophobicContact CD2-CD2 3.31Å; F201-F205 AromaticContact CD2-CE2 3.72Å; F201-F205 HydrophobicContact CD2-CE2 3.72Å; F201-F205 HydrophobicContact CD2-CG 4.24Å; F201-F205 HydrophobicContact CE2-CB 4.35Å; F201-F205 AromaticContact CE2-CD2 3.52Å; F201-F205 HydrophobicContact CE2-CD2 3.52Å; F201-F205 AromaticContact CE2-CE2 3.99Å; F201-F205 HydrophobicContact CE2-CE2 3.99Å; F201-F205 HydrophobicContact CE2-CG 4.04Å; F201-F205 HydrophobicContact CG-CD2 4.23Å; F201-F205 WeakPolarHBondContact O-CB 3.39Å; F201-F205 WeakPolarHBondContact O-CD2 3.46Å; F201-F205 PolarHBondContact O-N 2.94Å; F201-L224 HydrophobicContact CD1-CD2 4.43Å; F201-L224 HydrophobicContact CE1-CD1 4.15Å; F201-L224 HydrophobicContact CE1-CD2 3.77Å; F201-L224 HydrophobicContact CE1-CG 4.19Å; F201-L224 HydrophobicContact CZ-CD1 3.94Å; F201-L224 HydrophobicContact CZ-CD2 4.03Å; F201-L224 HydrophobicContact CZ-CG 4.42Å; F201-A296 HydrophobicContact CE2-CB 4.3Å; F201-A296 WeakPolarHBondContact CE2-O 3.36Å; F201-C299 HydrophobicContact CD2-CB 3.89Å; F201-C299 HydrophobicContact CE2-CB 4.3Å; F201-D300 HydrophobicContact CE1-CB 4.1Å; F201-D300 HydrophobicContact CE2-CB 3.82Å; F201-D300 HydrophobicContact CZ-CB 3.53Å; F201-D300 VanDerWaalsContact CZ-CG 3.47Å; F201-D300 WeakPolarHBondContact CZ-OD2 3.44Å
202	F	93.3	Very high	92.9	Very high	55 Å²	55	58.1 Å²	58.1	24%	0.241	30%	0.302	C	S	.	.	H	α-helix	trans	-66	-38.1	-174.7	-70.1	-78.4	0	0	0	112	N200 T206 L224 P227	N200-F202 PolarHBondContact O-N 3.35Å; F202-T206 WeakPolarHBondContact O-CB 3.38Å; F202-T206 PolarHBondContact O-N 2.9Å; F202-T206 PolarHBondContact O-OG1 3.47Å; F202-L224 HydrophobicContact CD1-CD2 4.1Å; F202-L224 HydrophobicContact CD1-CG 4.4Å; F202-P227 HydrophobicContact CD2-CG 4.34Å; F202-P227 HydrophobicContact CE2-CB 4.21Å; F202-P227 HydrophobicContact CE2-CG 3.72Å; F202-P227 HydrophobicContact CZ-CB 4.24Å; F202-P227 HydrophobicContact CZ-CG 3.96Å
203	E	92.3	Very high	92.8	Very high	146 Å²	146	55.8 Å²	55.8	68%	0.682	29%	0.288	S	S	*	.	H	α-helix	trans	-69.6	-51.3	-179.9	-64.5	178.7	178.4	0	0	111	N200 F201 D207	N200-E203 PolarHBondContact O-N 3.33Å; F201-E203 PolarHBondContact O-N 3.4Å; E203-D207 PolarHBondContact O-N 3.07Å
204	V	93.7	Very high	92.7	Very high	41 Å²	41	55.7 Å²	55.7	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-64.5	-48.4	-175.6	174.8	0	0	0	0	111.6	P191 N200 A208	P191-V204 HydrophobicContact CB-CG1 3.54Å; P191-V204 HydrophobicContact CG-CG1 3.65Å; N200-V204 HydrophobicContact CB-CG2 4.18Å; N200-V204 WeakPolarHBondContact O-CG2 3.34Å; N200-V204 PolarHBondContact O-N 2.9Å; N200-V204 VanDerWaalsContact O-N 3.08Å; V204-A208 PolarHBondContact O-N 3.41Å
205	F	95.5	Very high	92.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-82.1	-31.6	-176.1	-74.1	-78.3	0	0	0	113.1	P191 F201 D207 A208 F209 L224 L292 N295 A296 C299	P191-F205 HydrophobicContact CB-CE1 4.01Å; P191-F205 HydrophobicContact CB-CZ 4.12Å; P191-F205 HydrophobicContact CG-CD1 4.47Å; P191-F205 HydrophobicContact CG-CE1 4.35Å; F201-F205 AromaticContact CD2-CD2 3.31Å; F201-F205 HydrophobicContact CD2-CD2 3.31Å; F201-F205 AromaticContact CD2-CE2 3.72Å; F201-F205 HydrophobicContact CD2-CE2 3.72Å; F201-F205 HydrophobicContact CD2-CG 4.24Å; F201-F205 HydrophobicContact CE2-CB 4.35Å; F201-F205 AromaticContact CE2-CD2 3.52Å; F201-F205 HydrophobicContact CE2-CD2 3.52Å; F201-F205 AromaticContact CE2-CE2 3.99Å; F201-F205 HydrophobicContact CE2-CE2 3.99Å; F201-F205 HydrophobicContact CE2-CG 4.04Å; F201-F205 HydrophobicContact CG-CD2 4.23Å; F201-F205 WeakPolarHBondContact O-CB 3.39Å; F201-F205 WeakPolarHBondContact O-CD2 3.46Å; F201-F205 PolarHBondContact O-N 2.94Å; F205-D207 VanDerWaalsContact C-N 3.31Å; F205-D207 PolarHBondContact O-N 2.84Å; F205-A208 PolarHBondContact O-N 3.3Å; F205-F209 HydrophobicContact CB-CD2 4.12Å; F205-F209 HydrophobicContact CB-CE2 4.01Å; F205-F209 HydrophobicContact CD1-CE2 4.31Å; F205-F209 WeakPolarHBondContact O-CB 3.37Å; F205-F209 WeakPolarHBondContact O-CD2 3.48Å; F205-F209 PolarHBondContact O-N 3.38Å; F205-L224 HydrophobicContact CB-CD2 3.98Å; F205-L292 HydrophobicContact CD1-CD1 4.06Å; F205-L292 HydrophobicContact CE1-CD1 4.19Å; F205-N295 HydrophobicContact CE1-CB 4.21Å; F205-N295 HydrophobicContact CZ-CB 4.26Å; F205-A296 HydrophobicContact CD1-CB 3.56Å; F205-A296 HydrophobicContact CE1-CB 3.67Å; F205-A296 HydrophobicContact CG-CB 4.06Å; F205-A296 HydrophobicContact CZ-CB 4.26Å; F205-C299 HydrophobicContact CE2-CB 3.88Å; F205-C299 HydrophobicContact CZ-CB 4.37Å
206	T	94.2	Very high	92.9	Very high	45 Å²	45	48.6 Å²	48.6	28%	0.276	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-43.4	176.3	-64.2	0	0	0	0	110.7	F202 F209 N210	F202-T206 WeakPolarHBondContact O-CB 3.38Å; F202-T206 PolarHBondContact O-N 2.9Å; F202-T206 PolarHBondContact O-OG1 3.47Å; T206-F209 PolarHBondContact O-N 2.9Å; T206-N210 WeakPolarHBondContact CG2-ND2 3.48Å; T206-N210 VanDerWaalsContact O-CB 3.29Å; T206-N210 WeakPolarHBondContact O-CB 3.4Å; T206-N210 PolarHBondContact O-N 3.34Å; T206-N210 PolarHBondContact O-ND2 3.12Å
207	D	93.6	Very high	92.9	Very high	73 Å²	73	47.6 Å²	47.6	39%	0.39	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-47.4	177.7	-166.2	7.2	0	0	0	111.3	E203 F205 F209 N210 R211	E203-D207 PolarHBondContact O-N 3.07Å; F205-D207 VanDerWaalsContact C-N 3.31Å; F205-D207 PolarHBondContact O-N 2.84Å; D207-F209 PolarHBondContact O-N 2.87Å; D207-N210 PolarHBondContact O-N 3.2Å; D207-N210 VanDerWaalsContact O-N 3.17Å; D207-R211 VanDerWaalsContact CG-CZ 3.41Å; D207-R211 VanDerWaalsContact CG-NE 3.35Å; D207-R211 VanDerWaalsContact O-CG 3.28Å; D207-R211 WeakPolarHBondContact O-CG 3.43Å; D207-R211 PolarHBondContact O-N 3Å; D207-R211 IonicContact OD1-CZ 2.76Å; D207-R211 IonicContact OD1-NE 3.46Å; D207-R211 PolarHBondContact OD1-NE 2.93Å; D207-R211 IonicContact OD1-NH2 2.93Å; D207-R211 IonicContact OD2-CZ 3.38Å; D207-R211 IonicContact OD2-NE 2.74Å; D207-R211 PolarHBondContact OD2-NE 3.48Å; D207-R211 IonicContact OD2-NH2 3.27Å; D207-R211 PolarHBondContact OD2-NH2 3.12Å
208	A	95	Very high	92.9	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-56.6	-47.1	174.8	0	0	0	0	0	112.4	P191 V204 F205 R211 N212 L292	P191-A208 HydrophobicContact CG-CB 4.03Å; V204-A208 PolarHBondContact O-N 3.41Å; F205-A208 PolarHBondContact O-N 3.3Å; A208-R211 PolarHBondContact O-N 2.9Å; A208-N212 PolarHBondContact O-N 3.5Å; A208-N212 VanDerWaalsContact O-N 3.13Å; A208-N212 PolarHBondContact O-ND2 3.22Å; A208-L292 HydrophobicContact CB-CD1 3.91Å
209	F	96.2	Very high	92.7	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.013	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-38.6	177.3	-75.5	-60.5	0	0	0	112.3	F205 T206 D207 N212 S213 L224 F237 W241 L292 V293 A296	F205-F209 HydrophobicContact CB-CD2 4.12Å; F205-F209 HydrophobicContact CB-CE2 4.01Å; F205-F209 HydrophobicContact CD1-CE2 4.31Å; F205-F209 WeakPolarHBondContact O-CB 3.37Å; F205-F209 WeakPolarHBondContact O-CD2 3.48Å; F205-F209 PolarHBondContact O-N 3.38Å; T206-F209 PolarHBondContact O-N 2.9Å; D207-F209 PolarHBondContact O-N 2.87Å; F209-N212 CarbonylContact O-C 3.5Å; F209-N212 PolarHBondContact O-N 3.06Å; F209-S213 WeakPolarHBondContact O-CB 3.45Å; F209-S213 PolarHBondContact O-N 3.32Å; F209-L224 HydrophobicContact CD2-CD1 4.34Å; F209-L224 HydrophobicContact CE2-CD1 4.12Å; F209-F237 HydrophobicContact CD1-CZ 4.23Å; F209-F237 HydrophobicContact CD2-CE1 4.5Å; F209-F237 AromaticContact CD2-CZ 3.72Å; F209-F237 HydrophobicContact CD2-CZ 3.72Å; F209-F237 HydrophobicContact CE1-CZ 4.18Å; F209-F237 HydrophobicContact CE2-CE1 4.03Å; F209-F237 AromaticContact CE2-CZ 3.69Å; F209-F237 HydrophobicContact CE2-CZ 3.69Å; F209-F237 HydrophobicContact CG-CZ 4.02Å; F209-F237 HydrophobicContact CZ-CE1 4.1Å; F209-F237 AromaticContact CZ-CZ 3.93Å; F209-F237 HydrophobicContact CZ-CZ 3.93Å; F209-W241 HydrophobicContact CB-CH2 4.19Å; F209-W241 HydrophobicContact CB-CZ2 3.87Å; F209-W241 AromaticContact CD1-CD2 3.57Å; F209-W241 HydrophobicContact CD1-CD2 3.57Å; F209-W241 AromaticContact CD1-CE2 3.54Å; F209-W241 AromaticContact CD1-CE3 3.67Å; F209-W241 HydrophobicContact CD1-CE3 3.67Å; F209-W241 HydrophobicContact CD1-CG 4.25Å; F209-W241 AromaticContact CD1-CH2 3.74Å; F209-W241 HydrophobicContact CD1-CH2 3.74Å; F209-W241 AromaticContact CD1-CZ2 3.63Å; F209-W241 HydrophobicContact CD1-CZ2 3.63Å; F209-W241 AromaticContact CD1-CZ3 3.76Å; F209-W241 HydrophobicContact CD1-CZ3 3.76Å; F209-W241 HydrophobicContact CE1-CB 4.47Å; F209-W241 AromaticContact CE1-CD2 3.72Å; F209-W241 HydrophobicContact CE1-CD2 3.72Å; F209-W241 AromaticContact CE1-CE3 3.85Å; F209-W241 HydrophobicContact CE1-CE3 3.85Å; F209-W241 HydrophobicContact CE1-CG 4.01Å; F209-W241 HydrophobicContact CE1-CZ3 4.35Å; F209-W241 HydrophobicContact CG-CH2 4.45Å; F209-W241 HydrophobicContact CG-CZ2 4.13Å; F209-W241 WeakPolarHBondContact O-CH2 3.12Å; F209-L292 HydrophobicContact CD1-CD2 4.1Å; F209-L292 HydrophobicContact CE1-CD2 4.03Å; F209-L292 HydrophobicContact CE1-CG 4.07Å; F209-L292 HydrophobicContact CZ-CG 4.33Å; F209-V293 HydrophobicContact CE1-CG2 4.08Å; F209-V293 HydrophobicContact CZ-CG2 4.49Å; F209-A296 HydrophobicContact CE2-CB 3.83Å; F209-A296 HydrophobicContact CZ-CB 3.79Å
210	N	93.7	Very high	92.6	Very high	84 Å²	84	50.9 Å²	50.9	45%	0.449	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-43.7	177.2	-73.4	-19.3	0	0	0	111.8	T206 D207 N212 S213	T206-N210 WeakPolarHBondContact CG2-ND2 3.48Å; T206-N210 VanDerWaalsContact O-CB 3.29Å; T206-N210 WeakPolarHBondContact O-CB 3.4Å; T206-N210 PolarHBondContact O-N 3.34Å; T206-N210 PolarHBondContact O-ND2 3.12Å; D207-N210 PolarHBondContact O-N 3.2Å; D207-N210 VanDerWaalsContact O-N 3.17Å; N210-N212 VanDerWaalsContact C-N 3.26Å; N210-N212 PolarHBondContact O-N 3.36Å; N210-S213 WeakPolarHBondContact O-CB 3.47Å; N210-S213 PolarHBondContact O-N 2.9Å; N210-S213 PolarHBondContact O-OG 3.32Å
211	R	92.8	Very high	92.6	Very high	90 Å²	90	49.8 Å²	49.8	34%	0.34	28%	0.284	S	S	.	.	H	α-helix	trans	-58.7	-39.8	174.2	-67.1	167.9	-166.7	169.1	-8.5	111.7	D187 D207 A208 R214	D187-R211 IonicContact OD2-CZ 3.55Å; D187-R211 VanDerWaalsContact OD2-CZ 3.28Å; D187-R211 IonicContact OD2-NE 2.8Å; D187-R211 IonicContact OD2-NH1 3.92Å; D187-R211 PolarHBondContact OD2-NH1 3.02Å; D187-R211 IonicContact OD2-NH2 3.66Å; D207-R211 VanDerWaalsContact CG-CZ 3.41Å; D207-R211 VanDerWaalsContact CG-NE 3.35Å; D207-R211 VanDerWaalsContact O-CG 3.28Å; D207-R211 WeakPolarHBondContact O-CG 3.43Å; D207-R211 PolarHBondContact O-N 3Å; D207-R211 IonicContact OD1-CZ 2.76Å; D207-R211 IonicContact OD1-NE 3.46Å; D207-R211 PolarHBondContact OD1-NE 2.93Å; D207-R211 IonicContact OD1-NH2 2.93Å; D207-R211 IonicContact OD2-CZ 3.38Å; D207-R211 IonicContact OD2-NE 2.74Å; D207-R211 PolarHBondContact OD2-NE 3.48Å; D207-R211 IonicContact OD2-NH2 3.27Å; D207-R211 PolarHBondContact OD2-NH2 3.12Å; A208-R211 PolarHBondContact O-N 2.9Å; R211-R214 WeakPolarHBondContact O-CG 3.49Å; R211-R214 PolarHBondContact O-NE 2.89Å
212	N	94.1	Very high	92.5	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-79.5	-23.2	179.1	-71.5	-79.5	0	0	0	113.8	A208 F209 N210 R214 W215 W241 F244 R288 I289	A208-N212 PolarHBondContact O-N 3.5Å; A208-N212 VanDerWaalsContact O-N 3.13Å; A208-N212 PolarHBondContact O-ND2 3.22Å; F209-N212 CarbonylContact O-C 3.5Å; F209-N212 PolarHBondContact O-N 3.06Å; N210-N212 VanDerWaalsContact C-N 3.26Å; N210-N212 PolarHBondContact O-N 3.36Å; N212-R214 PolarHBondContact O-N 2.88Å; N212-R214 VanDerWaalsContact O-N 3.16Å; N212-W215 HydrophobicContact CB-CE3 4.29Å; N212-W215 HydrophobicContact CB-CZ3 4.32Å; N212-W215 PolarHBondContact O-N 3.37Å; N212-W215 WeakPolarHBondContact OD1-CZ3 3.22Å; N212-W241 HydrophobicContact CB-CH2 4.21Å; N212-W241 HydrophobicContact CB-CZ3 4.14Å; N212-F244 WeakPolarHBondContact O-CZ 3.28Å; N212-R288 PolarHBondContact OD1-NH1 3.3Å; N212-R288 PolarHBondContact OD1-NH2 3.2Å; N212-I289 HydrophobicContact CB-CD1 4.14Å; N212-I289 VanDerWaalsContact OD1-CD1 3.23Å; N212-I289 WeakPolarHBondContact OD1-CD1 3.39Å
213	S	93	Very high	92.5	Very high	36 Å²	36	59.4 Å²	59.4	25%	0.252	33%	0.325	S	S	.	.	H	α-helix	trans	-61.6	-25.4	-178	73.1	0	0	0	0	113.5	F209 N210 W215 C216	F209-S213 WeakPolarHBondContact O-CB 3.45Å; F209-S213 PolarHBondContact O-N 3.32Å; N210-S213 WeakPolarHBondContact O-CB 3.47Å; N210-S213 PolarHBondContact O-N 2.9Å; N210-S213 PolarHBondContact O-OG 3.32Å; S213-W215 PolarHBondContact O-N 3.01Å; S213-C216 WeakPolarHBondContact O-CB 3.41Å; S213-C216 PolarHBondContact O-N 2.82Å
214	R	90.5	Very high	92.4	Very high	64 Å²	64	52.9 Å²	52.9	24%	0.242	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.7	178.4	72.9	-176	164.5	162.6	-10.9	112.7	N186 R211 N212 C216 W247	N186-R214 PolarHBondContact OD1-NH1 2.94Å; N186-R214 PolarHBondContact OD1-NH2 3.29Å; R211-R214 WeakPolarHBondContact O-CG 3.49Å; R211-R214 PolarHBondContact O-NE 2.89Å; N212-R214 PolarHBondContact O-N 2.88Å; N212-R214 VanDerWaalsContact O-N 3.16Å; R214-C216 VanDerWaalsContact C-N 3.3Å; R214-C216 PolarHBondContact O-N 2.81Å; R214-W247 VanDerWaalsContact O-CE2 3.3Å; R214-W247 WeakPolarHBondContact O-CZ2 3.45Å; R214-W247 PolarHBondContact O-NE1 3.48Å; R214-W247 VanDerWaalsContact O-NE1 3.13Å
215	W	92.8	Very high	92.3	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.015	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	12	179.9	-58.4	-65	0	0	0	113.5	N186 N212 S213 S246 W247 R248	N186-W215 HydrophobicContact CB-CZ2 4.49Å; N212-W215 HydrophobicContact CB-CE3 4.29Å; N212-W215 HydrophobicContact CB-CZ3 4.32Å; N212-W215 PolarHBondContact O-N 3.37Å; N212-W215 WeakPolarHBondContact OD1-CZ3 3.22Å; S213-W215 PolarHBondContact O-N 3.01Å; W215-S246 CarbonylContact O-C 3.57Å; W215-S246 VanDerWaalsContact O-CA 3.23Å; W215-S246 WeakPolarHBondContact O-CA 3.48Å; W215-W247 PolarHBondContact O-N 3.46Å; W215-R248 HydrophobicContact CB-CB 4.01Å; W215-R248 HydrophobicContact CD2-CG 4.4Å; W215-R248 HydrophobicContact CG-CB 3.9Å; W215-R248 HydrophobicContact CG-CG 4.06Å; W215-R248 VanDerWaalsContact CH2-NH1 3.34Å
216	C	93	Very high	92	Very high	13 Å²	13	59.7 Å²	59.7	9%	0.088	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-77.2	131	178.7	-176.5	0	0	0	0	112.2	S213 R214 A218 V221 F244 W247	S213-C216 WeakPolarHBondContact O-CB 3.41Å; S213-C216 PolarHBondContact O-N 2.82Å; R214-C216 VanDerWaalsContact C-N 3.3Å; R214-C216 PolarHBondContact O-N 2.81Å; C216-A218 PolarHBondContact SG-N 2.92Å; C216-V221 HydrophobicContact CB-CG2 3.43Å; C216-V221 VanDerWaalsContact CB-CG2 3.43Å; C216-V221 VanDerWaalsContact SG-CG2 3.59Å; C216-F244 HydrophobicContact CB-CE2 3.77Å; C216-F244 HydrophobicContact CB-CZ 3.87Å; C216-W247 PolarHBondContact O-NE1 3.14Å; C216-W247 VanDerWaalsContact O-NE1 3.16Å
217	S	91.2	Very high	91.7	Very high	69 Å²	69	60.9 Å²	60.9	48%	0.483	34%	0.339	S	S	.	.			trans	-80.6	-20.3	177.1	-47.2	0	0	0	0	113.1	P245 W247	S217-P245 VanDerWaalsContact CB-O 3.3Å; S217-P245 WeakPolarHBondContact CB-O 3.48Å; S217-P245 PolarHBondContact N-O 2.94Å; S217-P245 PolarHBondContact OG-O 3.31Å; S217-W247 WeakPolarHBondContact OG-CB 3.46Å; S217-W247 PolarHBondContact OG-N 3.47Å; S217-W247 VanDerWaalsContact OG-N 3.12Å
218	A	89.2	Confident	91.4	Very high	40 Å²	40	64.3 Å²	64.3	33%	0.331	36%	0.357	S	S	.	.	S	Bend	trans	-78.9	148.8	179.9	0	0	0	0	0	111.3	C216 S220 F240 P245	C216-A218 PolarHBondContact SG-N 2.92Å; A218-S220 PolarHBondContact O-N 3.28Å; A218-F240 HydrophobicContact CB-CE2 4.13Å; A218-F240 HydrophobicContact CB-CZ 4.32Å; A218-P245 HydrophobicContact CB-CG 4.23Å
219	S	85.7	Confident	91.2	Very high	139 Å²	139	66.1 Å²	66.1	97%	0.972	37%	0.367	S	S	*	.	S	Bend	trans	-64.8	-22.1	-179.9	-50.5	0	0	0	0	113.9
220	S	89.1	Confident	91	Very high	91 Å²	91	70 Å²	70	64%	0.636	39%	0.388	S	S	*	.			trans	-133.1	139.7	176.7	60.2	0	0	0	0	111	A218	A218-S220 PolarHBondContact O-N 3.28Å
221	V	91.7	Very high	90.9	Very high	46 Å²	46	70.2 Å²	70.2	28%	0.279	39%	0.386	S	S	.	.			trans	-112.9	119.4	176	-176	0	0	0	0	108.5	C216 R223 F240 W241	C216-V221 HydrophobicContact CB-CG2 3.43Å; C216-V221 VanDerWaalsContact CB-CG2 3.43Å; C216-V221 VanDerWaalsContact SG-CG2 3.59Å; V221-R223 PolarHBondContact O-N 2.94Å; V221-F240 HydrophobicContact CG1-CE1 4.14Å; V221-W241 HydrophobicContact CG1-CH2 4.45Å; V221-W241 HydrophobicContact CG1-CZ2 3.72Å
222	P	92.7	Very high	91	Very high	45 Å²	45	73.2 Å²	73.2	29%	0.292	40%	0.404	S	S	.	.			trans	-59	132.6	171.9	-24.8	35.9	0	0	0	111.6	F237 F240 W241	P222-F237 HydrophobicContact CB-CD2 4.01Å; P222-F237 WeakPolarHBondContact O-CE2 3.44Å; P222-F240 VanDerWaalsContact CD-CD1 3.44Å; P222-F240 VanDerWaalsContact CD-CE1 3.48Å; P222-F240 HydrophobicContact CG-CB 3.93Å; P222-F240 HydrophobicContact CG-CD1 3.88Å; P222-F240 HydrophobicContact CG-CD2 4.07Å; P222-F240 HydrophobicContact CG-CE1 4.4Å; P222-F240 HydrophobicContact CG-CG 3.68Å; P222-W241 PolarHBondContact O-NE1 3.41Å
223	R	92.5	Very high	90.9	Very high	216 Å²	216	78.6 Å²	78.6	82%	0.815	43%	0.429	S	S	*	.			trans	-85.1	153	174.6	-61.2	-178.8	-178.4	-177.4	-0.2	110.1	V221 G225 F237	V221-R223 PolarHBondContact O-N 2.94Å; R223-G225 PolarHBondContact O-N 2.93Å; R223-G225 VanDerWaalsContact O-N 3.16Å; R223-F237 VanDerWaalsContact C-CD2 3.43Å; R223-F237 VanDerWaalsContact C-CE2 3.48Å; R223-F237 WeakPolarHBondContact O-CD2 3.21Å
224	L	90.8	Very high	91	Very high	8 Å²	8	77 Å²	77	4%	0.042	42%	0.417	C	S	.	.			trans	-58.4	-29.5	-179.5	-174.8	64	0	0	0	113.1	F201 F202 F205 F209 F237 R302	F201-L224 HydrophobicContact CD1-CD2 4.43Å; F201-L224 HydrophobicContact CE1-CD1 4.15Å; F201-L224 HydrophobicContact CE1-CD2 3.77Å; F201-L224 HydrophobicContact CE1-CG 4.19Å; F201-L224 HydrophobicContact CZ-CD1 3.94Å; F201-L224 HydrophobicContact CZ-CD2 4.03Å; F201-L224 HydrophobicContact CZ-CG 4.42Å; F202-L224 HydrophobicContact CD1-CD2 4.1Å; F202-L224 HydrophobicContact CD1-CG 4.4Å; F205-L224 HydrophobicContact CB-CD2 3.98Å; F209-L224 HydrophobicContact CD2-CD1 4.34Å; F209-L224 HydrophobicContact CE2-CD1 4.12Å; L224-F237 VanDerWaalsContact CA-CE2 3.41Å; L224-F237 HydrophobicContact CB-CE2 4.09Å; L224-F237 HydrophobicContact CB-CZ 4.04Å; L224-F237 HydrophobicContact CD1-CD1 4.05Å; L224-F237 HydrophobicContact CD1-CE1 3.35Å; L224-F237 HydrophobicContact CD1-CE2 4.25Å; L224-F237 HydrophobicContact CD1-CZ 3.48Å; L224-F237 VanDerWaalsContact CD1-CZ 3.48Å; L224-F237 HydrophobicContact CG-CZ 4.38Å; L224-F237 VanDerWaalsContact N-CE2 3.33Å; L224-R302 PolarHBondContact O-NH1 3.42Å; L224-R302 PolarHBondContact O-NH2 2.71Å
225	G	90.6	Very high	91.2	Very high	34 Å²	34	76.7 Å²	76.7	35%	0.351	42%	0.421	S	S	.	.			trans	88.8	-160.6	172.5	0	0	0	0	0	114.3	R223 D229	R223-G225 PolarHBondContact O-N 2.93Å; R223-G225 VanDerWaalsContact O-N 3.16Å; G225-D229 VanDerWaalsContact C-OD2 3.29Å; G225-D229 WeakPolarHBondContact CA-OD2 3.42Å
226	K	90.2	Very high	91.3	Very high	151 Å²	151	79.3 Å²	79.3	66%	0.657	44%	0.443	S	S	*	.			trans	-110	166.5	-176.1	-65.9	-175.4	-177.6	-178.8	0	112.1	D228 D229 R302	K226-D228 PolarHBondContact O-N 2.94Å; K226-D229 VanDerWaalsContact N-CG 3.35Å; K226-D229 PolarHBondContact N-OD1 3.23Å; K226-D229 PolarHBondContact N-OD2 3.48Å; K226-D229 PolarHBondContact O-N 3.34Å; K226-R302 WeakPolarHBondContact O-CD 3.28Å; K226-R302 PolarHBondContact O-NH1 3.47Å
227	P	87.4	Confident	91.5	Very high	69 Å²	69	78.9 Å²	78.9	45%	0.448	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.1	178	-25.2	34.4	0	0	0	115.5	F202	F202-P227 HydrophobicContact CD2-CG 4.34Å; F202-P227 HydrophobicContact CE2-CB 4.21Å; F202-P227 HydrophobicContact CE2-CG 3.72Å; F202-P227 HydrophobicContact CZ-CB 4.24Å; F202-P227 HydrophobicContact CZ-CG 3.96Å
228	D	87.8	Confident	91.7	Very high	145 Å²	145	75.8 Å²	75.8	78%	0.775	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	11.3	-174.2	-62.7	-38	0	0	0	114.1	K226	K226-D228 PolarHBondContact O-N 2.94Å
229	D	91	Very high	92	Very high	40 Å²	40	77.2 Å²	77.2	21%	0.214	43%	0.425	C	S	.	.			trans	-65.5	150	-179.6	-68.1	-16.2	0	0	0	112.6	G225 K226 Q233 V234 R302	G225-D229 VanDerWaalsContact C-OD2 3.29Å; G225-D229 WeakPolarHBondContact CA-OD2 3.42Å; K226-D229 VanDerWaalsContact N-CG 3.35Å; K226-D229 PolarHBondContact N-OD1 3.23Å; K226-D229 PolarHBondContact N-OD2 3.48Å; K226-D229 PolarHBondContact O-N 3.34Å; D229-Q233 HydrophobicContact CB-CB 4.5Å; D229-V234 HydrophobicContact CB-CG2 4.02Å; D229-R302 IonicContact OD2-NH1 3.49Å; D229-R302 PolarHBondContact OD2-NH1 2.85Å
230	D	92.1	Very high	92.5	Very high	86 Å²	86	72.7 Å²	72.7	46%	0.46	39%	0.388	S	S	.	.			trans	-68.4	152	179.4	-176	71.1	0	0	0	112.2	Q232 Q233 V234	D230-Q232 PolarHBondContact O-N 3.42Å; D230-Q232 VanDerWaalsContact O-N 3.17Å; D230-Q232 WeakPolarHBondContact OD2-CB 3.49Å; D230-Q232 VanDerWaalsContact OD2-CG 3.23Å; D230-Q232 WeakPolarHBondContact OD2-CG 3.43Å; D230-Q232 PolarHBondContact OD2-N 3.5Å; D230-Q233 HydrophobicContact CB-CG 4.45Å; D230-Q233 PolarHBondContact O-N 2.95Å; D230-V234 WeakPolarHBondContact O-CG2 3.45Å; D230-V234 PolarHBondContact O-N 2.95Å
231	E	91.1	Very high	92.9	Very high	87 Å²	87	68.5 Å²	68.5	41%	0.407	36%	0.358	S	S	.	.	H	α-helix	trans	-54.1	-36.9	177.3	-178.8	177.5	-173.2	0	0	112	N235 F306	E231-N235 WeakPolarHBondContact CG-ND2 3.42Å; E231-N235 VanDerWaalsContact O-CB 3.24Å; E231-N235 WeakPolarHBondContact O-CB 3.32Å; E231-N235 VanDerWaalsContact O-CG 3.25Å; E231-N235 PolarHBondContact O-N 2.84Å; E231-N235 PolarHBondContact O-ND2 2.93Å; E231-F306 HydrophobicContact CB-CD1 4.08Å; E231-F306 HydrophobicContact CB-CD2 4.13Å; E231-F306 HydrophobicContact CB-CE1 3.93Å; E231-F306 HydrophobicContact CB-CE2 3.98Å; E231-F306 HydrophobicContact CB-CG 4.19Å; E231-F306 HydrophobicContact CB-CZ 3.88Å; E231-F306 HydrophobicContact CG-CB 4.49Å; E231-F306 HydrophobicContact CG-CD1 4.38Å; E231-F306 HydrophobicContact CG-CD2 3.95Å; E231-F306 HydrophobicContact CG-CE2 4.24Å; E231-F306 HydrophobicContact CG-CG 4.04Å
232	Q	93.7	Very high	93.1	Very high	153 Å²	153	70.3 Å²	70.3	72%	0.715	36%	0.362	S	S	*	.	H	α-helix	trans	-66.2	-41.3	178.7	-61.8	178.2	11	0	0	112	D230 N235 A236	D230-Q232 PolarHBondContact O-N 3.42Å; D230-Q232 VanDerWaalsContact O-N 3.17Å; D230-Q232 WeakPolarHBondContact OD2-CB 3.49Å; D230-Q232 VanDerWaalsContact OD2-CG 3.23Å; D230-Q232 WeakPolarHBondContact OD2-CG 3.43Å; D230-Q232 PolarHBondContact OD2-N 3.5Å; Q232-N235 PolarHBondContact O-N 3.02Å; Q232-A236 VanDerWaalsContact O-CB 3.26Å; Q232-A236 WeakPolarHBondContact O-CB 3.46Å; Q232-A236 PolarHBondContact O-N 2.88Å
233	Q	93.7	Very high	93.2	Very high	115 Å²	115	76 Å²	76	54%	0.537	39%	0.385	S	S	.	.	H	α-helix	trans	-67.4	-44	178.9	-67.8	177.8	-32.7	0	0	110.7	D229 D230 A236 F237	D229-Q233 HydrophobicContact CB-CB 4.5Å; D230-Q233 HydrophobicContact CB-CG 4.45Å; D230-Q233 PolarHBondContact O-N 2.95Å; Q233-A236 PolarHBondContact O-N 3.43Å; Q233-F237 PolarHBondContact O-N 2.95Å
234	V	94.9	Very high	93.3	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.006	35%	0.351	C	S	.	.	H	α-helix	trans	-63.7	-44.6	177	179.1	0	0	0	0	110.7	D229 D230 F237 Y238 I303 F306	D229-V234 HydrophobicContact CB-CG2 4.02Å; D230-V234 WeakPolarHBondContact O-CG2 3.45Å; D230-V234 PolarHBondContact O-N 2.95Å; V234-F237 WeakPolarHBondContact O-CB 3.39Å; V234-F237 PolarHBondContact O-N 3.31Å; V234-Y238 HydrophobicContact CG1-CD2 3.8Å; V234-Y238 HydrophobicContact CG1-CE2 3.65Å; V234-Y238 WeakPolarHBondContact O-CD2 3.3Å; V234-Y238 PolarHBondContact O-N 3.26Å; V234-I303 HydrophobicContact CG1-CD1 3.57Å; V234-I303 HydrophobicContact CG1-CG1 4.22Å; V234-F306 HydrophobicContact CB-CE2 4.07Å; V234-F306 HydrophobicContact CG1-CE2 4.27Å; V234-F306 HydrophobicContact CG2-CE2 4.05Å
235	N	94.4	Very high	93.4	Very high	59 Å²	59	68.8 Å²	68.8	32%	0.316	36%	0.364	S	S	.	.	H	α-helix	trans	-66.4	-37.5	177.1	-76.6	-25.6	0	0	0	112.4	E231 Q232 Y238 S239	E231-N235 WeakPolarHBondContact CG-ND2 3.42Å; E231-N235 VanDerWaalsContact O-CB 3.24Å; E231-N235 WeakPolarHBondContact O-CB 3.32Å; E231-N235 VanDerWaalsContact O-CG 3.25Å; E231-N235 PolarHBondContact O-N 2.84Å; E231-N235 PolarHBondContact O-ND2 2.93Å; Q232-N235 PolarHBondContact O-N 3.02Å; N235-Y238 PolarHBondContact O-N 3.25Å; N235-S239 VanDerWaalsContact O-CB 3.28Å; N235-S239 WeakPolarHBondContact O-CB 3.49Å; N235-S239 PolarHBondContact O-N 2.93Å; N235-S239 PolarHBondContact O-OG 3.28Å
236	A	94.9	Very high	93.6	Very high	58 Å²	58	69.3 Å²	69.3	48%	0.479	36%	0.363	S	S	.	.	H	α-helix	trans	-63.8	-41.5	175.2	0	0	0	0	0	111.6	Q232 Q233 S239 F240	Q232-A236 VanDerWaalsContact O-CB 3.26Å; Q232-A236 WeakPolarHBondContact O-CB 3.46Å; Q232-A236 PolarHBondContact O-N 2.88Å; Q233-A236 PolarHBondContact O-N 3.43Å; A236-S239 PolarHBondContact O-N 3.45Å; A236-F240 WeakPolarHBondContact O-CB 3.28Å; A236-F240 PolarHBondContact O-N 3.37Å
237	F	96.2	Very high	93.7	Very high	5 Å²	5	67.1 Å²	67.1	2%	0.022	35%	0.35	C	S	.	.	H	α-helix	trans	-57.3	-54.9	172.7	171.3	-91.7	0	0	0	111.2	F209 P222 R223 L224 Q233 V234 S239 F240 W241	F209-F237 HydrophobicContact CD1-CZ 4.23Å; F209-F237 HydrophobicContact CD2-CE1 4.5Å; F209-F237 AromaticContact CD2-CZ 3.72Å; F209-F237 HydrophobicContact CD2-CZ 3.72Å; F209-F237 HydrophobicContact CE1-CZ 4.18Å; F209-F237 HydrophobicContact CE2-CE1 4.03Å; F209-F237 AromaticContact CE2-CZ 3.69Å; F209-F237 HydrophobicContact CE2-CZ 3.69Å; F209-F237 HydrophobicContact CG-CZ 4.02Å; F209-F237 HydrophobicContact CZ-CE1 4.1Å; F209-F237 AromaticContact CZ-CZ 3.93Å; F209-F237 HydrophobicContact CZ-CZ 3.93Å; P222-F237 HydrophobicContact CB-CD2 4.01Å; P222-F237 WeakPolarHBondContact O-CE2 3.44Å; R223-F237 VanDerWaalsContact C-CD2 3.43Å; R223-F237 VanDerWaalsContact C-CE2 3.48Å; R223-F237 WeakPolarHBondContact O-CD2 3.21Å; L224-F237 VanDerWaalsContact CA-CE2 3.41Å; L224-F237 HydrophobicContact CB-CE2 4.09Å; L224-F237 HydrophobicContact CB-CZ 4.04Å; L224-F237 HydrophobicContact CD1-CD1 4.05Å; L224-F237 HydrophobicContact CD1-CE1 3.35Å; L224-F237 HydrophobicContact CD1-CE2 4.25Å; L224-F237 HydrophobicContact CD1-CZ 3.48Å; L224-F237 VanDerWaalsContact CD1-CZ 3.48Å; L224-F237 HydrophobicContact CG-CZ 4.38Å; L224-F237 VanDerWaalsContact N-CE2 3.33Å; Q233-F237 PolarHBondContact O-N 2.95Å; V234-F237 WeakPolarHBondContact O-CB 3.39Å; V234-F237 PolarHBondContact O-N 3.31Å; F237-S239 VanDerWaalsContact C-N 3.34Å; F237-S239 PolarHBondContact O-N 2.89Å; F237-F240 PolarHBondContact O-N 2.99Å; F237-W241 AromaticContact CD2-CD1 3.58Å; F237-W241 AromaticContact CD2-NE1 3.64Å; F237-W241 AromaticContact CE1-CD1 3.82Å; F237-W241 AromaticContact CE2-CD1 3.24Å; F237-W241 HydrophobicContact CE2-CG 4.4Å; F237-W241 AromaticContact CE2-NE1 3.03Å; F237-W241 AromaticContact CZ-CD1 3.36Å; F237-W241 HydrophobicContact CZ-CG 4.21Å; F237-W241 AromaticContact CZ-NE1 3.45Å; F237-W241 VanDerWaalsContact O-CD1 3.27Å; F237-W241 PolarHBondContact O-N 3.01Å; F237-W241 VanDerWaalsContact O-N 3.07Å
238	Y	96.5	Very high	94	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.016	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-39.1	-178.9	-79	-69.1	0	0	0	112.5	V234 N235 F240 W241 F242 V293 A296 Y297 D300 I303	V234-Y238 HydrophobicContact CG1-CD2 3.8Å; V234-Y238 HydrophobicContact CG1-CE2 3.65Å; V234-Y238 WeakPolarHBondContact O-CD2 3.3Å; V234-Y238 PolarHBondContact O-N 3.26Å; N235-Y238 PolarHBondContact O-N 3.25Å; Y238-F240 PolarHBondContact O-N 3.33Å; Y238-W241 PolarHBondContact O-N 3.46Å; Y238-F242 HydrophobicContact CD1-CE2 4.45Å; Y238-F242 WeakPolarHBondContact O-CB 3.29Å; Y238-F242 WeakPolarHBondContact O-CD2 3.48Å; Y238-F242 PolarHBondContact O-N 2.82Å; Y238-V293 HydrophobicContact CD1-CG1 3.9Å; Y238-V293 HydrophobicContact CE1-CG1 4.48Å; Y238-A296 HydrophobicContact CE1-CB 4.16Å; Y238-Y297 AromaticContact CD1-CD2 3.84Å; Y238-Y297 HydrophobicContact CD1-CD2 3.84Å; Y238-Y297 HydrophobicContact CD1-CG 4.5Å; Y238-Y297 AromaticContact CD2-CD2 3.93Å; Y238-Y297 HydrophobicContact CD2-CD2 3.93Å; Y238-Y297 HydrophobicContact CD2-CE2 4.37Å; Y238-Y297 AromaticContact CE1-CD2 3.95Å; Y238-Y297 HydrophobicContact CE1-CD2 3.95Å; Y238-Y297 HydrophobicContact CE1-CG 4.39Å; Y238-Y297 HydrophobicContact CE2-CD2 4.04Å; Y238-Y297 AromaticContact CG-CD2 3.85Å; Y238-Y297 HydrophobicContact CG-CD2 3.85Å; Y238-Y297 HydrophobicContact CG-CE2 4.47Å; Y238-D300 WeakPolarHBondContact CE2-OD2 3.39Å; Y238-D300 VanDerWaalsContact OH-CB 3.27Å; Y238-D300 WeakPolarHBondContact OH-CB 3.4Å; Y238-D300 PolarHBondContact OH-OD2 3.39Å; Y238-I303 HydrophobicContact CD2-CD1 4.04Å; Y238-I303 HydrophobicContact CD2-CG1 4.39Å; Y238-I303 HydrophobicContact CE2-CD1 3.88Å; Y238-I303 HydrophobicContact CE2-CG1 3.76Å
239	S	95.5	Very high	94.2	Very high	70 Å²	70	60.9 Å²	60.9	49%	0.49	31%	0.31	S	S	.	.	H	α-helix	trans	-60.2	-46.2	178	-57.8	0	0	0	0	111.3	N235 A236 F237 W241 F242 E243	N235-S239 VanDerWaalsContact O-CB 3.28Å; N235-S239 WeakPolarHBondContact O-CB 3.49Å; N235-S239 PolarHBondContact O-N 2.93Å; N235-S239 PolarHBondContact O-OG 3.28Å; A236-S239 PolarHBondContact O-N 3.45Å; F237-S239 VanDerWaalsContact C-N 3.34Å; F237-S239 PolarHBondContact O-N 2.89Å; S239-W241 PolarHBondContact O-N 3.35Å; S239-F242 PolarHBondContact O-N 3.01Å; S239-E243 PolarHBondContact O-N 3.39Å
240	F	96.6	Very high	94.3	Very high	44 Å²	44	59.7 Å²	59.7	19%	0.193	30%	0.303	C	S	.	.	H	α-helix	trans	-60.2	-45.2	175.5	176.1	-89.1	0	0	0	112.3	A218 V221 P222 A236 F237 Y238 E243 F244 P245	A218-F240 HydrophobicContact CB-CE2 4.13Å; A218-F240 HydrophobicContact CB-CZ 4.32Å; V221-F240 HydrophobicContact CG1-CE1 4.14Å; P222-F240 VanDerWaalsContact CD-CD1 3.44Å; P222-F240 VanDerWaalsContact CD-CE1 3.48Å; P222-F240 HydrophobicContact CG-CB 3.93Å; P222-F240 HydrophobicContact CG-CD1 3.88Å; P222-F240 HydrophobicContact CG-CD2 4.07Å; P222-F240 HydrophobicContact CG-CE1 4.4Å; P222-F240 HydrophobicContact CG-CG 3.68Å; A236-F240 WeakPolarHBondContact O-CB 3.28Å; A236-F240 PolarHBondContact O-N 3.37Å; F237-F240 PolarHBondContact O-N 2.99Å; Y238-F240 PolarHBondContact O-N 3.33Å; F240-E243 CarbonylContact O-C 3.5Å; F240-E243 VanDerWaalsContact O-C 3.22Å; F240-E243 PolarHBondContact O-N 3.43Å; F240-F244 AromaticContact CE1-CD2 3.85Å; F240-F244 HydrophobicContact CE1-CD2 3.85Å; F240-F244 HydrophobicContact CE1-CE2 4.22Å; F240-F244 VanDerWaalsContact O-CA 3.31Å; F240-F244 WeakPolarHBondContact O-CA 3.49Å; F240-F244 PolarHBondContact O-N 3.49Å; F240-P245 HydrophobicContact CE2-CG 4.43Å; F240-P245 HydrophobicContact CZ-CG 4.41Å
241	W	96.7	Very high	94.2	Very high	3 Å²	3	57 Å²	57	1%	0.011	29%	0.291	C	S	.	.	H	α-helix	trans	-74.9	-28.2	-177.2	-80.9	101.5	0	0	0	113.5	F209 N212 V221 P222 F237 Y238 S239 E243 F244 I289 V293	F209-W241 HydrophobicContact CB-CH2 4.19Å; F209-W241 HydrophobicContact CB-CZ2 3.87Å; F209-W241 AromaticContact CD1-CD2 3.57Å; F209-W241 HydrophobicContact CD1-CD2 3.57Å; F209-W241 AromaticContact CD1-CE2 3.54Å; F209-W241 AromaticContact CD1-CE3 3.67Å; F209-W241 HydrophobicContact CD1-CE3 3.67Å; F209-W241 HydrophobicContact CD1-CG 4.25Å; F209-W241 AromaticContact CD1-CH2 3.74Å; F209-W241 HydrophobicContact CD1-CH2 3.74Å; F209-W241 AromaticContact CD1-CZ2 3.63Å; F209-W241 HydrophobicContact CD1-CZ2 3.63Å; F209-W241 AromaticContact CD1-CZ3 3.76Å; F209-W241 HydrophobicContact CD1-CZ3 3.76Å; F209-W241 HydrophobicContact CE1-CB 4.47Å; F209-W241 AromaticContact CE1-CD2 3.72Å; F209-W241 HydrophobicContact CE1-CD2 3.72Å; F209-W241 AromaticContact CE1-CE3 3.85Å; F209-W241 HydrophobicContact CE1-CE3 3.85Å; F209-W241 HydrophobicContact CE1-CG 4.01Å; F209-W241 HydrophobicContact CE1-CZ3 4.35Å; F209-W241 HydrophobicContact CG-CH2 4.45Å; F209-W241 HydrophobicContact CG-CZ2 4.13Å; F209-W241 WeakPolarHBondContact O-CH2 3.12Å; N212-W241 HydrophobicContact CB-CH2 4.21Å; N212-W241 HydrophobicContact CB-CZ3 4.14Å; V221-W241 HydrophobicContact CG1-CH2 4.45Å; V221-W241 HydrophobicContact CG1-CZ2 3.72Å; P222-W241 PolarHBondContact O-NE1 3.41Å; F237-W241 AromaticContact CD2-CD1 3.58Å; F237-W241 AromaticContact CD2-NE1 3.64Å; F237-W241 AromaticContact CE1-CD1 3.82Å; F237-W241 AromaticContact CE2-CD1 3.24Å; F237-W241 HydrophobicContact CE2-CG 4.4Å; F237-W241 AromaticContact CE2-NE1 3.03Å; F237-W241 AromaticContact CZ-CD1 3.36Å; F237-W241 HydrophobicContact CZ-CG 4.21Å; F237-W241 AromaticContact CZ-NE1 3.45Å; F237-W241 VanDerWaalsContact O-CD1 3.27Å; F237-W241 PolarHBondContact O-N 3.01Å; F237-W241 VanDerWaalsContact O-N 3.07Å; Y238-W241 PolarHBondContact O-N 3.46Å; S239-W241 PolarHBondContact O-N 3.35Å; W241-E243 VanDerWaalsContact C-N 3.27Å; W241-F244 HydrophobicContact CD2-CD2 4.14Å; W241-F244 HydrophobicContact CE3-CB 4.27Å; W241-F244 AromaticContact CE3-CD2 3.49Å; W241-F244 HydrophobicContact CE3-CD2 3.49Å; W241-F244 VanDerWaalsContact CE3-CD2 3.49Å; W241-F244 AromaticContact CE3-CE2 3.94Å; W241-F244 HydrophobicContact CE3-CE2 3.94Å; W241-F244 AromaticContact CE3-CG 3.92Å; W241-F244 HydrophobicContact CE3-CG 3.92Å; W241-F244 HydrophobicContact CH2-CD2 4.15Å; W241-F244 AromaticContact CH2-CE2 3.73Å; W241-F244 HydrophobicContact CH2-CE2 3.73Å; W241-F244 HydrophobicContact CH2-CZ 4.29Å; W241-F244 HydrophobicContact CZ2-CE2 4.44Å; W241-F244 HydrophobicContact CZ3-CD1 4.47Å; W241-F244 AromaticContact CZ3-CD2 3.49Å; W241-F244 HydrophobicContact CZ3-CD2 3.49Å; W241-F244 VanDerWaalsContact CZ3-CD2 3.49Å; W241-F244 HydrophobicContact CZ3-CE1 4.42Å; W241-F244 AromaticContact CZ3-CE2 3.43Å; W241-F244 HydrophobicContact CZ3-CE2 3.43Å; W241-F244 VanDerWaalsContact CZ3-CE2 3.43Å; W241-F244 HydrophobicContact CZ3-CG 4.03Å; W241-F244 AromaticContact CZ3-CZ 3.93Å; W241-F244 HydrophobicContact CZ3-CZ 3.93Å; W241-F244 VanDerWaalsContact O-CB 3.3Å; W241-F244 WeakPolarHBondContact O-CB 3.26Å; W241-F244 PolarHBondContact O-N 2.89Å; W241-I289 HydrophobicContact CE3-CG2 4.46Å; W241-V293 HydrophobicContact CB-CG1 4.24Å; W241-V293 HydrophobicContact CB-CG2 3.67Å
242	F	95.3	Very high	94.2	Very high	83 Å²	83	54.4 Å²	54.4	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-66.7	-31.5	169.7	-85.5	-63	0	0	0	112.4	Y238 S239 R290 V293 E294	Y238-F242 HydrophobicContact CD1-CE2 4.45Å; Y238-F242 WeakPolarHBondContact O-CB 3.29Å; Y238-F242 WeakPolarHBondContact O-CD2 3.48Å; Y238-F242 PolarHBondContact O-N 2.82Å; S239-F242 PolarHBondContact O-N 3.01Å; F242-R290 HydrophobicContact CD1-CG 4.48Å; F242-V293 HydrophobicContact CD1-CB 4.42Å; F242-V293 HydrophobicContact CD1-CG1 3.87Å; F242-V293 HydrophobicContact CD2-CG1 3.83Å; F242-V293 HydrophobicContact CE1-CB 4.26Å; F242-V293 HydrophobicContact CE1-CG1 3.74Å; F242-V293 HydrophobicContact CE2-CG1 3.68Å; F242-V293 HydrophobicContact CG-CG1 3.9Å; F242-V293 HydrophobicContact CZ-CG1 3.64Å; F242-E294 HydrophobicContact CE1-CG 4.01Å; F242-E294 HydrophobicContact CZ-CG 4.42Å
243	E	94.4	Very high	94	Very high	165 Å²	165	50.5 Å²	50.5	77%	0.771	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	24.5	176.2	-63.2	-177.1	-180	0	0	112.4	S239 F240 W241 P245	S239-E243 PolarHBondContact O-N 3.39Å; F240-E243 CarbonylContact O-C 3.5Å; F240-E243 VanDerWaalsContact O-C 3.22Å; F240-E243 PolarHBondContact O-N 3.43Å; W241-E243 VanDerWaalsContact C-N 3.27Å; E243-P245 VanDerWaalsContact O-CD 3.28Å; E243-P245 WeakPolarHBondContact O-CD 3.23Å; E243-P245 VanDerWaalsContact O-N 3.08Å
244	F	96.1	Very high	93.9	Very high	24 Å²	24	46.5 Å²	46.5	11%	0.105	24%	0.244	C	C	.	.			trans	-51.7	114.2	-168.7	-179.2	-108	0	0	0	112.7	N212 C216 F240 W241 S246 I289	N212-F244 WeakPolarHBondContact O-CZ 3.28Å; C216-F244 HydrophobicContact CB-CE2 3.77Å; C216-F244 HydrophobicContact CB-CZ 3.87Å; F240-F244 AromaticContact CE1-CD2 3.85Å; F240-F244 HydrophobicContact CE1-CD2 3.85Å; F240-F244 HydrophobicContact CE1-CE2 4.22Å; F240-F244 VanDerWaalsContact O-CA 3.31Å; F240-F244 WeakPolarHBondContact O-CA 3.49Å; F240-F244 PolarHBondContact O-N 3.49Å; W241-F244 HydrophobicContact CD2-CD2 4.14Å; W241-F244 HydrophobicContact CE3-CB 4.27Å; W241-F244 AromaticContact CE3-CD2 3.49Å; W241-F244 HydrophobicContact CE3-CD2 3.49Å; W241-F244 VanDerWaalsContact CE3-CD2 3.49Å; W241-F244 AromaticContact CE3-CE2 3.94Å; W241-F244 HydrophobicContact CE3-CE2 3.94Å; W241-F244 AromaticContact CE3-CG 3.92Å; W241-F244 HydrophobicContact CE3-CG 3.92Å; W241-F244 HydrophobicContact CH2-CD2 4.15Å; W241-F244 AromaticContact CH2-CE2 3.73Å; W241-F244 HydrophobicContact CH2-CE2 3.73Å; W241-F244 HydrophobicContact CH2-CZ 4.29Å; W241-F244 HydrophobicContact CZ2-CE2 4.44Å; W241-F244 HydrophobicContact CZ3-CD1 4.47Å; W241-F244 AromaticContact CZ3-CD2 3.49Å; W241-F244 HydrophobicContact CZ3-CD2 3.49Å; W241-F244 VanDerWaalsContact CZ3-CD2 3.49Å; W241-F244 HydrophobicContact CZ3-CE1 4.42Å; W241-F244 AromaticContact CZ3-CE2 3.43Å; W241-F244 HydrophobicContact CZ3-CE2 3.43Å; W241-F244 VanDerWaalsContact CZ3-CE2 3.43Å; W241-F244 HydrophobicContact CZ3-CG 4.03Å; W241-F244 AromaticContact CZ3-CZ 3.93Å; W241-F244 HydrophobicContact CZ3-CZ 3.93Å; W241-F244 VanDerWaalsContact O-CB 3.3Å; W241-F244 WeakPolarHBondContact O-CB 3.26Å; W241-F244 PolarHBondContact O-N 2.89Å; F244-S246 PolarHBondContact O-N 3.09Å; F244-I289 HydrophobicContact CB-CG2 4.05Å; F244-I289 HydrophobicContact CD1-CG2 4.1Å; F244-I289 HydrophobicContact CG-CG2 4.26Å
245	P	93.4	Very high	93.1	Very high	49 Å²	49	54.7 Å²	54.7	32%	0.318	28%	0.282	S	S	.	.			trans	-82.4	86.6	-177.3	32	-33.7	0	0	0	110.3	S217 A218 F240 E243	S217-P245 VanDerWaalsContact CB-O 3.3Å; S217-P245 WeakPolarHBondContact CB-O 3.48Å; S217-P245 PolarHBondContact N-O 2.94Å; S217-P245 PolarHBondContact OG-O 3.31Å; A218-P245 HydrophobicContact CB-CG 4.23Å; F240-P245 HydrophobicContact CE2-CG 4.43Å; F240-P245 HydrophobicContact CZ-CG 4.41Å; E243-P245 VanDerWaalsContact O-CD 3.28Å; E243-P245 WeakPolarHBondContact O-CD 3.23Å; E243-P245 VanDerWaalsContact O-N 3.08Å
246	S	92.9	Very high	92.1	Very high	45 Å²	45	56.5 Å²	56.5	32%	0.315	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-78.6	129.3	179.3	-174.1	0	0	0	0	112.5	W215 F244 R248	W215-S246 CarbonylContact O-C 3.57Å; W215-S246 VanDerWaalsContact O-CA 3.23Å; W215-S246 WeakPolarHBondContact O-CA 3.48Å; F244-S246 PolarHBondContact O-N 3.09Å; S246-R248 VanDerWaalsContact OG-CB 3.25Å; S246-R248 WeakPolarHBondContact OG-CB 3.48Å; S246-R248 PolarHBondContact OG-N 3.09Å; S246-R248 VanDerWaalsContact OG-N 3.16Å
247	W	92.7	Very high	91.2	Very high	104 Å²	104	58.6 Å²	58.6	39%	0.394	29%	0.291	S	S	.	.			trans	-89.5	-1.4	166.5	61.4	-101.9	0	0	0	112.7	L177 C181 R214 W215 C216 S217 E249	L177-W247 HydrophobicContact CD1-CE3 4.47Å; L177-W247 HydrophobicContact CD1-CH2 4.5Å; L177-W247 HydrophobicContact CD1-CZ3 3.95Å; L177-W247 HydrophobicContact CD2-CE3 4.28Å; L177-W247 HydrophobicContact CD2-CZ3 3.86Å; L177-W247 HydrophobicContact CG-CH2 4.47Å; L177-W247 HydrophobicContact CG-CZ3 3.79Å; C181-W247 VanDerWaalsContact SG-CZ3 3.54Å; R214-W247 VanDerWaalsContact O-CE2 3.3Å; R214-W247 WeakPolarHBondContact O-CZ2 3.45Å; R214-W247 PolarHBondContact O-NE1 3.48Å; R214-W247 VanDerWaalsContact O-NE1 3.13Å; W215-W247 PolarHBondContact O-N 3.46Å; C216-W247 PolarHBondContact O-NE1 3.14Å; C216-W247 VanDerWaalsContact O-NE1 3.16Å; S217-W247 WeakPolarHBondContact OG-CB 3.46Å; S217-W247 PolarHBondContact OG-N 3.47Å; S217-W247 VanDerWaalsContact OG-N 3.12Å; W247-E249 PolarHBondContact O-N 3.07Å; W247-E249 VanDerWaalsContact O-N 3.16Å
248	R	94.3	Very high	90.3	Very high	11 Å²	11	64.3 Å²	64.3	4%	0.042	32%	0.316	C	S	.	.			trans	-53.1	122.4	-177.1	-165.7	173.9	-174.6	176	2.3	110.6	C181 D188 W215 S246 F250 E285	C181-R248 HydrophobicContact CB-CG 4.04Å; C181-R248 PolarHBondContact O-NE 3.35Å; C181-R248 PolarHBondContact O-NH2 3.35Å; D188-R248 IonicContact OD1-CZ 3.8Å; D188-R248 IonicContact OD1-NH1 2.83Å; D188-R248 PolarHBondContact OD1-NH1 3.47Å; D188-R248 IonicContact OD1-NH2 3.39Å; D188-R248 PolarHBondContact OD1-NH2 2.98Å; D188-R248 IonicContact OD2-CZ 3.85Å; D188-R248 IonicContact OD2-NH1 2.95Å; D188-R248 PolarHBondContact OD2-NH1 3.16Å; D188-R248 IonicContact OD2-NH2 3.49Å; D188-R248 PolarHBondContact OD2-NH2 3.37Å; W215-R248 HydrophobicContact CB-CB 4.01Å; W215-R248 HydrophobicContact CD2-CG 4.4Å; W215-R248 HydrophobicContact CG-CB 3.9Å; W215-R248 HydrophobicContact CG-CG 4.06Å; W215-R248 VanDerWaalsContact CH2-NH1 3.34Å; S246-R248 VanDerWaalsContact OG-CB 3.25Å; S246-R248 WeakPolarHBondContact OG-CB 3.48Å; S246-R248 PolarHBondContact OG-N 3.09Å; S246-R248 VanDerWaalsContact OG-N 3.16Å; R248-F250 HydrophobicContact CG-CE1 4.41Å; R248-F250 HydrophobicContact CG-CZ 4.03Å; R248-E285 WeakPolarHBondContact CD-OE1 3.29Å; R248-E285 IonicContact CZ-OE1 3.28Å; R248-E285 IonicContact NE-OE1 2.6Å; R248-E285 IonicContact NH1-OE1 3.96Å; R248-E285 PolarHBondContact NH1-OE1 2.87Å; R248-E285 IonicContact NH1-OE2 3.45Å
249	E	90.9	Very high	89.3	Confident	73 Å²	73	67.3 Å²	67.3	34%	0.341	34%	0.342	S	S	.	.			trans	-107.6	150.5	-176.9	-165.8	179	169.6	0	0	111.1	C181 W247 S251 R278	C181-E249 WeakPolarHBondContact CB-O 3.43Å; W247-E249 PolarHBondContact O-N 3.07Å; W247-E249 VanDerWaalsContact O-N 3.16Å; E249-S251 WeakPolarHBondContact OE1-CB 3.41Å; E249-S251 PolarHBondContact OE1-OG 3.33Å; E249-R278 IonicContact OE1-NH1 2.68Å
250	F	93.9	Very high	88.6	Confident	15 Å²	15	67.3 Å²	67.3	7%	0.066	35%	0.346	C	S	.	.			trans	-121.7	21	-177.7	-58	-79.9	0	0	0	112.5	V182 R248 W252 L253 R278 H281 R282 E285	V182-F250 HydrophobicContact CG1-CD1 3.77Å; V182-F250 HydrophobicContact CG1-CE1 4.38Å; R248-F250 HydrophobicContact CG-CE1 4.41Å; R248-F250 HydrophobicContact CG-CZ 4.03Å; F250-W252 PolarHBondContact O-N 3.28Å; F250-L253 HydrophobicContact CD1-CD1 4.18Å; F250-L253 PolarHBondContact O-N 2.94Å; F250-L253 VanDerWaalsContact O-N 3.08Å; F250-R278 HydrophobicContact CB-CG 4.47Å; F250-H281 HydrophobicContact CB-CB 3.84Å; F250-H281 HydrophobicContact CD1-CB 3.83Å; F250-H281 HydrophobicContact CD2-CB 3.65Å; F250-H281 HydrophobicContact CE1-CB 4.31Å; F250-H281 HydrophobicContact CE2-CB 4.16Å; F250-H281 HydrophobicContact CG-CB 3.47Å; F250-H281 VanDerWaalsContact CG-CB 3.47Å; F250-H281 HydrophobicContact CZ-CB 4.47Å; F250-R282 HydrophobicContact CD2-CG 3.95Å; F250-R282 HydrophobicContact CE2-CG 4.01Å; F250-E285 HydrophobicContact CE2-CB 4.15Å; F250-E285 HydrophobicContact CE2-CG 4.5Å; F250-E285 HydrophobicContact CZ-CB 3.72Å; F250-E285 HydrophobicContact CZ-CG 3.95Å
251	S	91	Very high	87.9	Confident	30 Å²	30	65.8 Å²	65.8	21%	0.21	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-67.2	-21	-179.1	47.9	0	0	0	0	114	S178 E249 L253 D254	S178-S251 WeakPolarHBondContact CB-OG 3.4Å; E249-S251 WeakPolarHBondContact OE1-CB 3.41Å; E249-S251 PolarHBondContact OE1-OG 3.33Å; S251-L253 PolarHBondContact O-N 3.21Å; S251-D254 WeakPolarHBondContact O-CB 3.32Å; S251-D254 PolarHBondContact O-N 3.07Å
252	W	90.8	Very high	87.4	Confident	31 Å²	31	73.5 Å²	73.5	12%	0.117	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-64.7	-29.7	170.4	-171.2	-96.8	0	0	0	112.4	W106 K107 T169 S178 Y179 V182 F250 D254	W106-W252 AromaticContact CZ3-CH2 3.78Å; W106-W252 HydrophobicContact CZ3-CH2 3.78Å; W106-W252 HydrophobicContact CZ3-CZ2 4.26Å; K107-W252 WeakPolarHBondContact CE-O 3.42Å; K107-W252 HydrophobicContact CG-CZ2 4.02Å; K107-W252 PolarHBondContact NZ-O 3.48Å; K107-W252 PolarHBondContact O-NE1 2.77Å; T169-W252 HydrophobicContact CG2-CH2 3.35Å; T169-W252 HydrophobicContact CG2-CZ2 4.3Å; T169-W252 HydrophobicContact CG2-CZ3 3.57Å; S178-W252 WeakPolarHBondContact O-CB 3.36Å; Y179-W252 HydrophobicContact CD2-CD2 4.07Å; Y179-W252 AromaticContact CD2-CE2 3.57Å; Y179-W252 HydrophobicContact CD2-CH2 4.23Å; Y179-W252 AromaticContact CD2-CZ2 3.66Å; Y179-W252 HydrophobicContact CD2-CZ2 3.66Å; Y179-W252 AromaticContact CD2-NE1 3.78Å; Y179-W252 HydrophobicContact CE2-CZ2 4.3Å; V182-W252 HydrophobicContact CG2-CB 3.61Å; V182-W252 VanDerWaalsContact CG2-CD1 3.48Å; V182-W252 HydrophobicContact CG2-CG 3.77Å; F250-W252 PolarHBondContact O-N 3.28Å; W252-D254 PolarHBondContact O-N 3.39Å
253	L	89.7	Confident	87.3	Confident	71 Å²	71	74.8 Å²	74.8	37%	0.372	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-81.2	3	179.7	-61	175.7	0	0	0	113.6	V182 F250 S251 E255	V182-L253 HydrophobicContact CB-CD1 4.46Å; V182-L253 HydrophobicContact CB-CD2 4.4Å; V182-L253 HydrophobicContact CB-CG 4.3Å; V182-L253 HydrophobicContact CG1-CD1 3.97Å; V182-L253 HydrophobicContact CG1-CG 4.01Å; V182-L253 HydrophobicContact CG2-CD2 4.3Å; V182-L253 HydrophobicContact CG2-CG 4.36Å; F250-L253 HydrophobicContact CD1-CD1 4.18Å; F250-L253 PolarHBondContact O-N 2.94Å; F250-L253 VanDerWaalsContact O-N 3.08Å; S251-L253 PolarHBondContact O-N 3.21Å; L253-E255 PolarHBondContact O-N 2.97Å
254	D	89.9	Confident	87.1	Confident	32 Å²	32	75.4 Å²	75.4	17%	0.171	38%	0.384	C	S	.	.			trans	-60	110.6	176.5	-79.8	12.4	0	0	0	110	K107 S251 W252 E256 N274 R278	K107-D254 PolarHBondContact NZ-O 2.94Å; S251-D254 WeakPolarHBondContact O-CB 3.32Å; S251-D254 PolarHBondContact O-N 3.07Å; W252-D254 PolarHBondContact O-N 3.39Å; D254-E256 VanDerWaalsContact C-N 3.35Å; D254-E256 PolarHBondContact O-N 2.79Å; D254-N274 HydrophobicContact CB-CB 4.37Å; D254-N274 WeakPolarHBondContact CB-ND2 3.49Å; D254-N274 WeakPolarHBondContact OD2-CB 3.48Å; D254-N274 PolarHBondContact OD2-ND2 3.26Å; D254-N274 VanDerWaalsContact OD2-ND2 3.12Å; D254-R278 VanDerWaalsContact OD1-CD 3.31Å; D254-R278 WeakPolarHBondContact OD1-CD 3.37Å; D254-R278 VanDerWaalsContact OD1-CG 3.3Å; D254-R278 WeakPolarHBondContact OD1-CG 3.38Å; D254-R278 IonicContact OD1-NE 3.3Å
255	E	78.2	Confident	87	Confident	173 Å²	173	82 Å²	82	81%	0.808	42%	0.415	S	S	*	.	S	Bend	trans	-61.8	-42.5	-176.9	-67.4	173.1	177.4	0	0	111.6	L253	L253-E255 PolarHBondContact O-N 2.97Å
256	E	74.2	Confident	86.8	Confident	96 Å²	96	83.1 Å²	83.1	45%	0.449	42%	0.416	S	S	.	.	S	Bend	trans	-104.5	128.6	-174.5	-66.6	-60.9	158.5	0	0	112	D254 K258 I270 N274	D254-E256 VanDerWaalsContact C-N 3.35Å; D254-E256 PolarHBondContact O-N 2.79Å; E256-K258 PolarHBondContact O-N 3.21Å; E256-I270 HydrophobicContact CB-CB 4.4Å; E256-I270 HydrophobicContact CB-CD1 4.36Å; E256-I270 HydrophobicContact CB-CG1 4.06Å; E256-I270 HydrophobicContact CB-CG2 3.6Å; E256-N274 PolarHBondContact O-ND2 3.17Å
257	N	75.9	Confident	86.8	Confident	102 Å²	102	86.4 Å²	86.4	55%	0.545	42%	0.422	S	S	.	.			trans	-81.3	119.1	175.6	-173.7	-9.2	0	0	0	110.3	A259 A260	N257-A259 PolarHBondContact O-N 2.92Å; N257-A259 WeakPolarHBondContact OD1-CB 3.38Å; N257-A259 PolarHBondContact OD1-N 3.17Å; N257-A260 HydrophobicContact CB-CB 4.37Å; N257-A260 WeakPolarHBondContact O-CB 3.46Å; N257-A260 PolarHBondContact O-N 2.97Å
258	K	76.4	Confident	86.8	Confident	125 Å²	125	88.1 Å²	88.1	54%	0.543	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-21.6	175	69.8	177	-177.3	-178.8	0	115	E256 R267	E256-K258 PolarHBondContact O-N 3.21Å; K258-R267 PolarHBondContact O-NE 3.08Å; K258-R267 PolarHBondContact O-NH2 3.15Å
259	A	76.3	Confident	86.7	Confident	68 Å²	68	94.7 Å²	94.7	56%	0.562	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-19.9	177.9	0	0	0	0	0	112.9	N257 A261	N257-A259 PolarHBondContact O-N 2.92Å; N257-A259 WeakPolarHBondContact OD1-CB 3.38Å; N257-A259 PolarHBondContact OD1-N 3.17Å; A259-A261 VanDerWaalsContact C-N 3.29Å
260	A	80.1	Confident	86.7	Confident	69 Å²	69	91.4 Å²	91.4	57%	0.57	44%	0.438	S	S	*	.	S	Bend	trans	-78.9	-12.4	175.6	0	0	0	0	0	113.1	N257 E262	N257-A260 HydrophobicContact CB-CB 4.37Å; N257-A260 WeakPolarHBondContact O-CB 3.46Å; N257-A260 PolarHBondContact O-N 2.97Å; A260-E262 PolarHBondContact O-N 3.44Å
261	A	83.1	Confident	86.6	Confident	13 Å²	13	94.1 Å²	94.1	11%	0.107	45%	0.451	C	S	.	.			trans	-62.8	127.1	177	0	0	0	0	0	111.8	A259 E266 R267 I270	A259-A261 VanDerWaalsContact C-N 3.29Å; A261-E266 HydrophobicContact CB-CB 4.3Å; A261-E266 HydrophobicContact CB-CG 4.15Å; A261-R267 HydrophobicContact CB-CB 3.73Å; A261-I270 HydrophobicContact CB-CD1 3.96Å
262	E	86.6	Confident	86.8	Confident	164 Å²	164	99.2 Å²	99.2	77%	0.766	47%	0.469	S	S	*	.	S	Bend	trans	-74.1	-38.4	178.3	-58.2	-177.9	167.7	0	0	111.1	A260 E266	A260-E262 PolarHBondContact O-N 3.44Å; E262-E266 WeakPolarHBondContact CB-OE2 3.27Å; E262-E266 PolarHBondContact N-OE2 2.97Å
263	N	91.7	Very high	86.9	Confident	111 Å²	111	101.6 Å²	101.6	59%	0.594	48%	0.482	S	S	*	.	S	Bend	trans	-127.7	161.8	-173.6	-73.6	-48.1	0	0	0	113.6	E265 E266 R267	N263-E265 VanDerWaalsContact C-N 3.29Å; N263-E265 PolarHBondContact O-N 3.48Å; N263-E266 PolarHBondContact O-N 3.37Å; N263-R267 PolarHBondContact O-N 3.45Å
264	R	91.9	Very high	87.1	Confident	178 Å²	178	98.7 Å²	98.7	67%	0.672	47%	0.467	S	S	*	.	H	α-helix	trans	-59.4	-38	-179.9	-178.1	-178.5	-179.2	-131.7	15	113	R268	R264-R268 WeakPolarHBondContact O-CG 3.5Å; R264-R268 PolarHBondContact O-N 3.12Å; R264-R268 VanDerWaalsContact O-N 3.17Å
265	E	92.9	Very high	87.3	Confident	163 Å²	163	104 Å²	104	76%	0.762	49%	0.485	S	S	*	.	H	α-helix	trans	-69.4	-42.4	179.6	-65	-173.2	166.4	0	0	111.4	N263 R268 W269	N263-E265 VanDerWaalsContact C-N 3.29Å; N263-E265 PolarHBondContact O-N 3.48Å; E265-R268 WeakPolarHBondContact O-CB 3.36Å; E265-R268 PolarHBondContact O-N 2.99Å; E265-W269 WeakPolarHBondContact O-CB 3.5Å; E265-W269 PolarHBondContact O-N 3.42Å
266	E	90.3	Very high	88.1	Confident	72 Å²	72	98.3 Å²	98.3	34%	0.336	47%	0.467	S	S	.	.	H	α-helix	trans	-62.3	-43.9	174.6	-173.2	-178.9	-166.1	0	0	111.6	A261 E262 N263 R268 W269 I270	A261-E266 HydrophobicContact CB-CB 4.3Å; A261-E266 HydrophobicContact CB-CG 4.15Å; E262-E266 WeakPolarHBondContact CB-OE2 3.27Å; E262-E266 PolarHBondContact N-OE2 2.97Å; N263-E266 PolarHBondContact O-N 3.37Å; E266-R268 VanDerWaalsContact C-N 3.28Å; E266-R268 PolarHBondContact O-N 3.43Å; E266-W269 WeakPolarHBondContact O-CB 3.34Å; E266-W269 PolarHBondContact O-N 3.34Å; E266-I270 HydrophobicContact CG-CD1 4.05Å; E266-I270 WeakPolarHBondContact O-CG1 3.24Å; E266-I270 PolarHBondContact O-N 2.99Å
267	R	91.4	Very high	89.1	Confident	114 Å²	114	95.6 Å²	95.6	43%	0.43	46%	0.461	S	S	.	.	H	α-helix	trans	-57.3	-42.7	173.9	-179.4	173	-78.7	154	0.4	111.8	K258 A261 N263 W269 E271	K258-R267 PolarHBondContact O-NE 3.08Å; K258-R267 PolarHBondContact O-NH2 3.15Å; A261-R267 HydrophobicContact CB-CB 3.73Å; N263-R267 PolarHBondContact O-N 3.45Å; R267-W269 VanDerWaalsContact C-N 3.33Å; R267-E271 WeakPolarHBondContact O-CB 3.34Å; R267-E271 VanDerWaalsContact O-CG 3.29Å; R267-E271 WeakPolarHBondContact O-CG 3.42Å; R267-E271 PolarHBondContact O-N 3.47Å
268	R	92.6	Very high	90	Very high	140 Å²	140	93.6 Å²	93.6	53%	0.528	45%	0.446	S	S	.	.	H	α-helix	trans	-66.4	-37	176.7	-75.3	174.2	167.3	-167.3	-9.1	112.1	R264 E265 E266 K272	R264-R268 WeakPolarHBondContact O-CG 3.5Å; R264-R268 PolarHBondContact O-N 3.12Å; R264-R268 VanDerWaalsContact O-N 3.17Å; E265-R268 WeakPolarHBondContact O-CB 3.36Å; E265-R268 PolarHBondContact O-N 2.99Å; E266-R268 VanDerWaalsContact C-N 3.28Å; E266-R268 PolarHBondContact O-N 3.43Å; R268-K272 WeakPolarHBondContact O-CB 3.27Å; R268-K272 PolarHBondContact O-N 3.35Å
269	W	92.3	Very high	90.9	Very high	148 Å²	148	91.6 Å²	91.6	56%	0.561	44%	0.439	S	S	*	.	H	α-helix	trans	-68	-47.2	177.8	-177.2	89.2	0	0	0	111.3	E265 E266 R267 E271 K272 M273	E265-W269 WeakPolarHBondContact O-CB 3.5Å; E265-W269 PolarHBondContact O-N 3.42Å; E266-W269 WeakPolarHBondContact O-CB 3.34Å; E266-W269 PolarHBondContact O-N 3.34Å; R267-W269 VanDerWaalsContact C-N 3.33Å; W269-E271 PolarHBondContact O-N 3.01Å; W269-K272 WeakPolarHBondContact O-CB 3.28Å; W269-K272 PolarHBondContact O-N 3.33Å; W269-K272 VanDerWaalsContact O-N 3.11Å; W269-M273 HydrophobicContact CD2-CG 4.14Å; W269-M273 HydrophobicContact CE3-CG 4.34Å; W269-M273 HydrophobicContact CH2-CG 4.08Å; W269-M273 HydrophobicContact CZ2-CE 4.36Å; W269-M273 HydrophobicContact CZ2-CG 3.87Å; W269-M273 HydrophobicContact CZ2-SD 4.42Å; W269-M273 HydrophobicContact CZ3-CG 4.31Å; W269-M273 WeakPolarHBondContact O-CG 3.36Å; W269-M273 PolarHBondContact O-N 3.3Å
270	I	92.2	Very high	91.9	Very high	4 Å²	4	93 Å²	93	2%	0.021	44%	0.437	C	S	.	.	H	α-helix	trans	-57.6	-49.4	173.7	-72.2	168.1	0	0	0	110.8	E256 A261 E266 K272 M273 N274	E256-I270 HydrophobicContact CB-CB 4.4Å; E256-I270 HydrophobicContact CB-CD1 4.36Å; E256-I270 HydrophobicContact CB-CG1 4.06Å; E256-I270 HydrophobicContact CB-CG2 3.6Å; A261-I270 HydrophobicContact CB-CD1 3.96Å; E266-I270 HydrophobicContact CG-CD1 4.05Å; E266-I270 WeakPolarHBondContact O-CG1 3.24Å; E266-I270 PolarHBondContact O-N 2.99Å; I270-K272 PolarHBondContact O-N 3.49Å; I270-M273 PolarHBondContact O-N 3.49Å; I270-M273 VanDerWaalsContact O-N 3.13Å; I270-N274 WeakPolarHBondContact O-CB 3.26Å; I270-N274 PolarHBondContact O-N 3.47Å
271	E	92.1	Very high	92.6	Very high	73 Å²	73	92.9 Å²	92.9	34%	0.341	43%	0.425	S	S	.	.	H	α-helix	trans	-60.4	-33.7	177.8	-77.1	177.4	-175	0	0	112.6	R267 W269 R275	R267-E271 WeakPolarHBondContact O-CB 3.34Å; R267-E271 VanDerWaalsContact O-CG 3.29Å; R267-E271 WeakPolarHBondContact O-CG 3.42Å; R267-E271 PolarHBondContact O-N 3.47Å; W269-E271 PolarHBondContact O-N 3.01Å; E271-R275 WeakPolarHBondContact O-CB 3.43Å; E271-R275 PolarHBondContact O-N 3.27Å
272	K	94.2	Very high	93.2	Very high	137 Å²	137	97.4 Å²	97.4	60%	0.596	44%	0.439	S	S	*	.	H	α-helix	trans	-70	-43.9	175.4	-174.4	-179.7	179	-176.2	0	111.2	R268 W269 I270 R275 A276	R268-K272 WeakPolarHBondContact O-CB 3.27Å; R268-K272 PolarHBondContact O-N 3.35Å; W269-K272 WeakPolarHBondContact O-CB 3.28Å; W269-K272 PolarHBondContact O-N 3.33Å; W269-K272 VanDerWaalsContact O-N 3.11Å; I270-K272 PolarHBondContact O-N 3.49Å; K272-R275 PolarHBondContact O-N 3.15Å; K272-A276 PolarHBondContact O-N 3.18Å
273	M	93.3	Very high	93.6	Very high	80 Å²	80	95.5 Å²	95.5	39%	0.394	43%	0.428	S	S	.	.	H	α-helix	trans	-64.5	-49.3	177	-69.2	-56.6	136.1	0	0	111.4	W269 I270 R275 A276 A277	W269-M273 HydrophobicContact CD2-CG 4.14Å; W269-M273 HydrophobicContact CE3-CG 4.34Å; W269-M273 HydrophobicContact CH2-CG 4.08Å; W269-M273 HydrophobicContact CZ2-CE 4.36Å; W269-M273 HydrophobicContact CZ2-CG 3.87Å; W269-M273 HydrophobicContact CZ2-SD 4.42Å; W269-M273 HydrophobicContact CZ3-CG 4.31Å; W269-M273 WeakPolarHBondContact O-CG 3.36Å; W269-M273 PolarHBondContact O-N 3.3Å; I270-M273 PolarHBondContact O-N 3.49Å; I270-M273 VanDerWaalsContact O-N 3.13Å; M273-R275 VanDerWaalsContact C-N 3.28Å; M273-R275 PolarHBondContact O-N 2.68Å; M273-A276 WeakPolarHBondContact O-CB 3.35Å; M273-A276 PolarHBondContact O-N 3.09Å; M273-A276 VanDerWaalsContact O-N 3.08Å; M273-A277 PolarHBondContact O-N 3.12Å
274	N	94.2	Very high	93.9	Very high	10 Å²	10	94.2 Å²	94.2	5%	0.053	42%	0.424	C	S	.	.	H	α-helix	trans	-60.3	-38.2	176	-69.6	2.3	0	0	0	111.8	D254 E256 I270 R278	D254-N274 HydrophobicContact CB-CB 4.37Å; D254-N274 WeakPolarHBondContact CB-ND2 3.49Å; D254-N274 WeakPolarHBondContact OD2-CB 3.48Å; D254-N274 PolarHBondContact OD2-ND2 3.26Å; D254-N274 VanDerWaalsContact OD2-ND2 3.12Å; E256-N274 PolarHBondContact O-ND2 3.17Å; I270-N274 WeakPolarHBondContact O-CB 3.26Å; I270-N274 PolarHBondContact O-N 3.47Å; N274-R278 WeakPolarHBondContact O-CB 3.28Å; N274-R278 VanDerWaalsContact O-CG 3.24Å; N274-R278 WeakPolarHBondContact O-CG 3.48Å; N274-R278 PolarHBondContact O-N 3.41Å; N274-R278 PolarHBondContact O-NE 3.11Å
275	R	93.5	Very high	94.1	Very high	143 Å²	143	86.5 Å²	86.5	54%	0.54	40%	0.396	S	S	.	.	H	α-helix	trans	-63.5	-42.6	175.3	-173.1	-177.4	-55.1	153.2	8	111.8	E271 K272 M273 E279	E271-R275 WeakPolarHBondContact O-CB 3.43Å; E271-R275 PolarHBondContact O-N 3.27Å; K272-R275 PolarHBondContact O-N 3.15Å; M273-R275 VanDerWaalsContact C-N 3.28Å; M273-R275 PolarHBondContact O-N 2.68Å; R275-E279 WeakPolarHBondContact O-CB 3.48Å; R275-E279 PolarHBondContact O-N 2.95Å
276	A	95.2	Very high	94.2	Very high	54 Å²	54	80.9 Å²	80.9	45%	0.446	38%	0.378	S	S	.	.	H	α-helix	trans	-66.2	-44.3	177.6	0	0	0	0	0	111.7	K272 M273 E279 N280	K272-A276 PolarHBondContact O-N 3.18Å; M273-A276 WeakPolarHBondContact O-CB 3.35Å; M273-A276 PolarHBondContact O-N 3.09Å; M273-A276 VanDerWaalsContact O-N 3.08Å; A276-E279 PolarHBondContact O-N 3.27Å; A276-N280 PolarHBondContact O-N 3.27Å
277	A	94.9	Very high	94.5	Very high	39 Å²	39	84.2 Å²	84.2	32%	0.322	39%	0.391	S	S	.	.	H	α-helix	trans	-59.8	-49.8	175.1	0	0	0	0	0	111.5	M273 E279 N280 H281	M273-A277 PolarHBondContact O-N 3.12Å; A277-E279 VanDerWaalsContact C-N 3.29Å; A277-E279 PolarHBondContact O-N 3.15Å; A277-N280 WeakPolarHBondContact O-CB 3.49Å; A277-N280 PolarHBondContact O-N 3.26Å; A277-H281 PolarHBondContact O-CD2 2.89Å; A277-H281 PolarHBondContact O-N 3.47Å
278	R	94.3	Very high	94.7	Very high	61 Å²	61	80.4 Å²	80.4	23%	0.23	38%	0.377	C	S	.	.	H	α-helix	trans	-59.4	-37.5	175.3	-71.9	-174.2	-68.3	169.1	-10.5	112.7	E249 F250 D254 N274 H281 R282	E249-R278 IonicContact OE1-NH1 2.68Å; F250-R278 HydrophobicContact CB-CG 4.47Å; D254-R278 VanDerWaalsContact OD1-CD 3.31Å; D254-R278 WeakPolarHBondContact OD1-CD 3.37Å; D254-R278 VanDerWaalsContact OD1-CG 3.3Å; D254-R278 WeakPolarHBondContact OD1-CG 3.38Å; D254-R278 IonicContact OD1-NE 3.3Å; N274-R278 WeakPolarHBondContact O-CB 3.28Å; N274-R278 VanDerWaalsContact O-CG 3.24Å; N274-R278 WeakPolarHBondContact O-CG 3.48Å; N274-R278 PolarHBondContact O-N 3.41Å; N274-R278 PolarHBondContact O-NE 3.11Å; R278-H281 PolarHBondContact O-N 3.5Å; R278-R282 WeakPolarHBondContact O-CG 3.46Å; R278-R282 PolarHBondContact O-N 3.23Å
279	E	95.9	Very high	94.9	Very high	82 Å²	82	74.1 Å²	74.1	38%	0.383	35%	0.353	S	S	.	.	H	α-helix	trans	-66.2	-39.4	174.8	-165.8	-172.6	150.7	0	0	112	R275 A276 A277 R282 K283	R275-E279 WeakPolarHBondContact O-CB 3.48Å; R275-E279 PolarHBondContact O-N 2.95Å; A276-E279 PolarHBondContact O-N 3.27Å; A277-E279 VanDerWaalsContact C-N 3.29Å; A277-E279 PolarHBondContact O-N 3.15Å; E279-R282 VanDerWaalsContact CA-NH2 3.33Å; E279-R282 PolarHBondContact O-N 2.68Å; E279-K283 WeakPolarHBondContact O-CG 3.46Å; E279-K283 PolarHBondContact O-N 2.89Å; E279-K283 WeakPolarHBondContact OE1-CE 3.24Å; E279-K283 IonicContact OE1-NZ 3.09Å; E279-K283 PolarHBondContact OE1-NZ 3.49Å
280	N	96.4	Very high	95.1	Very high	97 Å²	97	72.8 Å²	72.8	52%	0.519	35%	0.348	S	S	.	.	H	α-helix	trans	-63.5	-44.7	174.8	-167.7	38.6	0	0	0	111.6	A276 A277 R282 K283 T284	A276-N280 PolarHBondContact O-N 3.27Å; A277-N280 WeakPolarHBondContact O-CB 3.49Å; A277-N280 PolarHBondContact O-N 3.26Å; N280-R282 PolarHBondContact O-N 3.06Å; N280-K283 WeakPolarHBondContact O-CB 3.44Å; N280-K283 PolarHBondContact O-N 3.37Å; N280-K283 VanDerWaalsContact O-N 3.13Å; N280-T284 PolarHBondContact O-N 2.95Å; N280-T284 PolarHBondContact O-OG1 3.46Å
281	H	95.8	Very high	95.4	Very high	68 Å²	68	75 Å²	75	32%	0.315	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-43.1	173.8	-72.9	-69.2	0	0	0	112.3	F250 A277 R278 K283 T284 E285	F250-H281 HydrophobicContact CB-CB 3.84Å; F250-H281 HydrophobicContact CD1-CB 3.83Å; F250-H281 HydrophobicContact CD2-CB 3.65Å; F250-H281 HydrophobicContact CE1-CB 4.31Å; F250-H281 HydrophobicContact CE2-CB 4.16Å; F250-H281 HydrophobicContact CG-CB 3.47Å; F250-H281 VanDerWaalsContact CG-CB 3.47Å; F250-H281 HydrophobicContact CZ-CB 4.47Å; A277-H281 PolarHBondContact O-CD2 2.89Å; A277-H281 PolarHBondContact O-N 3.47Å; R278-H281 PolarHBondContact O-N 3.5Å; H281-K283 VanDerWaalsContact C-N 3.31Å; H281-K283 PolarHBondContact O-N 3.37Å; H281-T284 PolarHBondContact O-N 3.08Å; H281-E285 WeakPolarHBondContact O-CB 3.43Å; H281-E285 PolarHBondContact O-N 2.93Å
282	R	95.1	Very high	95.6	Very high	108 Å²	108	71.6 Å²	71.6	41%	0.408	35%	0.346	S	S	.	.	H	α-helix	trans	-59.7	-39.1	173.3	-74.8	-170.4	-61.3	-87.3	-0.9	112.6	F250 R278 E279 N280 A286	F250-R282 HydrophobicContact CD2-CG 3.95Å; F250-R282 HydrophobicContact CE2-CG 4.01Å; R278-R282 WeakPolarHBondContact O-CG 3.46Å; R278-R282 PolarHBondContact O-N 3.23Å; E279-R282 VanDerWaalsContact CA-NH2 3.33Å; E279-R282 PolarHBondContact O-N 2.68Å; N280-R282 PolarHBondContact O-N 3.06Å; R282-A286 VanDerWaalsContact O-CB 3.28Å; R282-A286 WeakPolarHBondContact O-CB 3.2Å; R282-A286 PolarHBondContact O-N 2.89Å
283	K	96.5	Very high	95.7	Very high	123 Å²	123	65.1 Å²	65.1	54%	0.535	32%	0.318	S	S	.	.	H	α-helix	trans	-67.1	-44.4	176.6	-74.7	171.5	-177	165.4	0	112	E279 N280 H281 E285 A286 K287	E279-K283 WeakPolarHBondContact O-CG 3.46Å; E279-K283 PolarHBondContact O-N 2.89Å; E279-K283 WeakPolarHBondContact OE1-CE 3.24Å; E279-K283 IonicContact OE1-NZ 3.09Å; E279-K283 PolarHBondContact OE1-NZ 3.49Å; N280-K283 WeakPolarHBondContact O-CB 3.44Å; N280-K283 PolarHBondContact O-N 3.37Å; N280-K283 VanDerWaalsContact O-N 3.13Å; H281-K283 VanDerWaalsContact C-N 3.31Å; H281-K283 PolarHBondContact O-N 3.37Å; K283-E285 VanDerWaalsContact C-N 3.34Å; K283-A286 PolarHBondContact O-N 3.34Å; K283-K287 WeakPolarHBondContact O-CB 3.18Å; K283-K287 PolarHBondContact O-N 2.93Å
284	T	96.3	Very high	95.9	Very high	85 Å²	85	64.8 Å²	64.8	52%	0.521	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-44.3	176	-62.2	0	0	0	0	111	N280 H281 K287 R288	N280-T284 PolarHBondContact O-N 2.95Å; N280-T284 PolarHBondContact O-OG1 3.46Å; H281-T284 PolarHBondContact O-N 3.08Å; T284-K287 WeakPolarHBondContact O-CB 3.3Å; T284-K287 PolarHBondContact O-N 2.74Å; T284-R288 PolarHBondContact O-N 3.37Å
285	E	96	Very high	96	Very high	15 Å²	15	65.3 Å²	65.3	7%	0.07	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-46.8	176.6	178.2	65.1	170.1	0	0	112	R248 F250 H281 K283 K287 R288 I289	R248-E285 WeakPolarHBondContact CD-OE1 3.29Å; R248-E285 IonicContact CZ-OE1 3.28Å; R248-E285 IonicContact NE-OE1 2.6Å; R248-E285 IonicContact NH1-OE1 3.96Å; R248-E285 PolarHBondContact NH1-OE1 2.87Å; R248-E285 IonicContact NH1-OE2 3.45Å; F250-E285 HydrophobicContact CE2-CB 4.15Å; F250-E285 HydrophobicContact CE2-CG 4.5Å; F250-E285 HydrophobicContact CZ-CB 3.72Å; F250-E285 HydrophobicContact CZ-CG 3.95Å; H281-E285 WeakPolarHBondContact O-CB 3.43Å; H281-E285 PolarHBondContact O-N 2.93Å; K283-E285 VanDerWaalsContact C-N 3.34Å; E285-K287 PolarHBondContact O-N 3.02Å; E285-R288 VanDerWaalsContact CD-NH2 3.34Å; E285-R288 WeakPolarHBondContact O-CB 3.42Å; E285-R288 PolarHBondContact O-N 2.87Å; E285-R288 IonicContact OE1-CZ 3.31Å; E285-R288 IonicContact OE1-NE 3.38Å; E285-R288 IonicContact OE1-NH2 3.79Å; E285-R288 PolarHBondContact OE1-NH2 3.03Å; E285-R288 IonicContact OE2-CZ 3.25Å; E285-R288 IonicContact OE2-NE 3.36Å; E285-R288 PolarHBondContact OE2-NE 3.27Å; E285-R288 IonicContact OE2-NH2 2.75Å; E285-R288 PolarHBondContact OE2-NH2 3.38Å; E285-I289 WeakPolarHBondContact O-CG1 3.25Å; E285-I289 PolarHBondContact O-N 3.36Å
286	A	95.3	Very high	96.1	Very high	46 Å²	46	58.5 Å²	58.5	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-59.4	-35.9	175.6	0	0	0	0	0	111.9	R282 K283 R290	R282-A286 VanDerWaalsContact O-CB 3.28Å; R282-A286 WeakPolarHBondContact O-CB 3.2Å; R282-A286 PolarHBondContact O-N 2.89Å; K283-A286 PolarHBondContact O-N 3.34Å; A286-R290 VanDerWaalsContact O-CB 3.3Å; A286-R290 WeakPolarHBondContact O-CB 3.46Å; A286-R290 PolarHBondContact O-N 3.48Å
287	K	97	Very high	96.1	Very high	141 Å²	141	59.4 Å²	59.4	61%	0.613	29%	0.285	S	S	*	.	H	α-helix	trans	-68.7	-40.2	173.8	-174.7	179.2	178.3	-175.6	0	111.9	K283 T284 E285 R290 T291	K283-K287 WeakPolarHBondContact O-CB 3.18Å; K283-K287 PolarHBondContact O-N 2.93Å; T284-K287 WeakPolarHBondContact O-CB 3.3Å; T284-K287 PolarHBondContact O-N 2.74Å; E285-K287 PolarHBondContact O-N 3.02Å; K287-R290 PolarHBondContact O-N 2.89Å; K287-T291 WeakPolarHBondContact O-CB 3.47Å; K287-T291 PolarHBondContact O-N 3.35Å; K287-T291 PolarHBondContact O-OG1 3.4Å
288	R	96.5	Very high	96.1	Very high	35 Å²	35	63.6 Å²	63.6	13%	0.132	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-51.3	175.9	-172.4	-175.6	71.8	91.3	4.5	111	D188 V190 N212 T284 E285 R290 T291 L292	D188-R288 VanDerWaalsContact C-NH1 3.33Å; D188-R288 WeakPolarHBondContact O-CD 3.43Å; D188-R288 PolarHBondContact O-NH1 2.86Å; D188-R288 IonicContact OD1-CZ 3.17Å; D188-R288 IonicContact OD1-NH1 2.56Å; D188-R288 PolarHBondContact OD1-NH1 3.41Å; D188-R288 IonicContact OD1-NH2 3.48Å; D188-R288 PolarHBondContact OD1-NH2 3.22Å; V190-R288 HydrophobicContact CG2-CG 3.57Å; N212-R288 PolarHBondContact OD1-NH1 3.3Å; N212-R288 PolarHBondContact OD1-NH2 3.2Å; T284-R288 PolarHBondContact O-N 3.37Å; E285-R288 VanDerWaalsContact CD-NH2 3.34Å; E285-R288 WeakPolarHBondContact O-CB 3.42Å; E285-R288 PolarHBondContact O-N 2.87Å; E285-R288 IonicContact OE1-CZ 3.31Å; E285-R288 IonicContact OE1-NE 3.38Å; E285-R288 IonicContact OE1-NH2 3.79Å; E285-R288 PolarHBondContact OE1-NH2 3.03Å; E285-R288 IonicContact OE2-CZ 3.25Å; E285-R288 IonicContact OE2-NE 3.36Å; E285-R288 PolarHBondContact OE2-NE 3.27Å; E285-R288 IonicContact OE2-NH2 2.75Å; E285-R288 PolarHBondContact OE2-NH2 3.38Å; R288-R290 PolarHBondContact O-N 3.46Å; R288-T291 WeakPolarHBondContact O-CB 3.34Å; R288-T291 PolarHBondContact O-N 3.38Å; R288-T291 VanDerWaalsContact O-N 3.16Å; R288-L292 PolarHBondContact O-N 3.07Å
289	I	96.8	Very high	96.1	Very high	8 Å²	8	61 Å²	61	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-44.9	176.4	-61.1	-60.3	0	0	0	110.9	N212 W241 F244 E285 T291 L292 V293	N212-I289 HydrophobicContact CB-CD1 4.14Å; N212-I289 VanDerWaalsContact OD1-CD1 3.23Å; N212-I289 WeakPolarHBondContact OD1-CD1 3.39Å; W241-I289 HydrophobicContact CE3-CG2 4.46Å; F244-I289 HydrophobicContact CB-CG2 4.05Å; F244-I289 HydrophobicContact CD1-CG2 4.1Å; F244-I289 HydrophobicContact CG-CG2 4.26Å; E285-I289 WeakPolarHBondContact O-CG1 3.25Å; E285-I289 PolarHBondContact O-N 3.36Å; I289-T291 VanDerWaalsContact C-N 3.27Å; I289-T291 PolarHBondContact O-N 2.76Å; I289-L292 WeakPolarHBondContact O-CB 3.45Å; I289-L292 PolarHBondContact O-N 2.94Å; I289-L292 VanDerWaalsContact O-N 3.11Å; I289-V293 HydrophobicContact CG2-CG2 4.39Å; I289-V293 VanDerWaalsContact O-CG2 3.3Å; I289-V293 WeakPolarHBondContact O-CG2 3.37Å; I289-V293 PolarHBondContact O-N 2.92Å
290	R	96.4	Very high	96.1	Very high	119 Å²	119	57.3 Å²	57.3	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-40.7	176	-169.9	178.9	-60.8	117.8	5.6	112.1	F242 A286 K287 R288 V293 E294	F242-R290 HydrophobicContact CD1-CG 4.48Å; A286-R290 VanDerWaalsContact O-CB 3.3Å; A286-R290 WeakPolarHBondContact O-CB 3.46Å; A286-R290 PolarHBondContact O-N 3.48Å; K287-R290 PolarHBondContact O-N 2.89Å; R288-R290 PolarHBondContact O-N 3.46Å; R290-V293 PolarHBondContact O-N 2.89Å; R290-E294 HydrophobicContact CG-CG 4.44Å; R290-E294 WeakPolarHBondContact O-CB 3.49Å; R290-E294 VanDerWaalsContact O-CG 3.31Å; R290-E294 WeakPolarHBondContact O-CG 3.45Å; R290-E294 PolarHBondContact O-N 3.05Å
291	T	97.1	Very high	95.9	Very high	52 Å²	52	55.5 Å²	55.5	32%	0.319	26%	0.264	S	S	.	.	H	α-helix	trans	-63.7	-41.5	176.4	-53.6	0	0	0	0	111.3	V190 K287 R288 I289 V293 E294 N295	V190-T291 HydrophobicContact CG1-CG2 4.33Å; K287-T291 WeakPolarHBondContact O-CB 3.47Å; K287-T291 PolarHBondContact O-N 3.35Å; K287-T291 PolarHBondContact O-OG1 3.4Å; R288-T291 WeakPolarHBondContact O-CB 3.34Å; R288-T291 PolarHBondContact O-N 3.38Å; R288-T291 VanDerWaalsContact O-N 3.16Å; I289-T291 VanDerWaalsContact C-N 3.27Å; I289-T291 PolarHBondContact O-N 2.76Å; T291-V293 VanDerWaalsContact C-N 3.35Å; T291-V293 PolarHBondContact O-N 3Å; T291-E294 PolarHBondContact O-N 3.39Å; T291-N295 WeakPolarHBondContact O-CB 3.48Å; T291-N295 PolarHBondContact O-N 3.16Å; T291-N295 PolarHBondContact O-OD1 3.49Å
292	L	96.8	Very high	95.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-57.1	-47.9	173.2	172.7	66.4	0	0	0	111.6	V190 P191 F205 A208 F209 R288 I289 N295 A296	V190-L292 HydrophobicContact CG1-CB 3.88Å; V190-L292 HydrophobicContact CG1-CD1 4.18Å; V190-L292 HydrophobicContact CG2-CB 4.32Å; P191-L292 HydrophobicContact CG-CD1 4.48Å; F205-L292 HydrophobicContact CD1-CD1 4.06Å; F205-L292 HydrophobicContact CE1-CD1 4.19Å; A208-L292 HydrophobicContact CB-CD1 3.91Å; F209-L292 HydrophobicContact CD1-CD2 4.1Å; F209-L292 HydrophobicContact CE1-CD2 4.03Å; F209-L292 HydrophobicContact CE1-CG 4.07Å; F209-L292 HydrophobicContact CZ-CG 4.33Å; R288-L292 PolarHBondContact O-N 3.07Å; I289-L292 WeakPolarHBondContact O-CB 3.45Å; I289-L292 PolarHBondContact O-N 2.94Å; I289-L292 VanDerWaalsContact O-N 3.11Å; L292-N295 PolarHBondContact O-N 2.84Å; L292-A296 WeakPolarHBondContact O-CB 3.3Å; L292-A296 PolarHBondContact O-N 3.35Å
293	V	97.1	Very high	95.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-42.6	-179.6	-178.1	0	0	0	0	111.5	F209 Y238 W241 F242 I289 R290 T291 A296 Y297	F209-V293 HydrophobicContact CE1-CG2 4.08Å; F209-V293 HydrophobicContact CZ-CG2 4.49Å; Y238-V293 HydrophobicContact CD1-CG1 3.9Å; Y238-V293 HydrophobicContact CE1-CG1 4.48Å; W241-V293 HydrophobicContact CB-CG1 4.24Å; W241-V293 HydrophobicContact CB-CG2 3.67Å; F242-V293 HydrophobicContact CD1-CB 4.42Å; F242-V293 HydrophobicContact CD1-CG1 3.87Å; F242-V293 HydrophobicContact CD2-CG1 3.83Å; F242-V293 HydrophobicContact CE1-CB 4.26Å; F242-V293 HydrophobicContact CE1-CG1 3.74Å; F242-V293 HydrophobicContact CE2-CG1 3.68Å; F242-V293 HydrophobicContact CG-CG1 3.9Å; F242-V293 HydrophobicContact CZ-CG1 3.64Å; I289-V293 HydrophobicContact CG2-CG2 4.39Å; I289-V293 VanDerWaalsContact O-CG2 3.3Å; I289-V293 WeakPolarHBondContact O-CG2 3.37Å; I289-V293 PolarHBondContact O-N 2.92Å; R290-V293 PolarHBondContact O-N 2.89Å; T291-V293 VanDerWaalsContact C-N 3.35Å; T291-V293 PolarHBondContact O-N 3Å; V293-A296 PolarHBondContact O-N 3.09Å; V293-Y297 VanDerWaalsContact O-CB 3.3Å; V293-Y297 WeakPolarHBondContact O-CB 3.36Å; V293-Y297 PolarHBondContact O-N 3.01Å
294	E	97.1	Very high	95.5	Very high	73 Å²	73	48.2 Å²	48.2	34%	0.341	23%	0.234	S	C	.	.	H	α-helix	trans	-63.5	-40.9	176.1	-75	177.3	-163.9	0	0	112.4	F242 R290 T291 Y297 K298	F242-E294 HydrophobicContact CE1-CG 4.01Å; F242-E294 HydrophobicContact CZ-CG 4.42Å; R290-E294 HydrophobicContact CG-CG 4.44Å; R290-E294 WeakPolarHBondContact O-CB 3.49Å; R290-E294 VanDerWaalsContact O-CG 3.31Å; R290-E294 WeakPolarHBondContact O-CG 3.45Å; R290-E294 PolarHBondContact O-N 3.05Å; T291-E294 PolarHBondContact O-N 3.39Å; E294-Y297 PolarHBondContact O-N 3.04Å; E294-K298 VanDerWaalsContact O-CG 3.25Å; E294-K298 WeakPolarHBondContact O-CG 3.45Å; E294-K298 PolarHBondContact O-N 2.94Å
295	N	96.5	Very high	95.3	Very high	21 Å²	21	51.1 Å²	51.1	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-44.3	176.8	-71.6	-3.3	0	0	0	110.8	P191 V193 F205 T291 L292 K298 C299	P191-N295 PolarHBondContact O-ND2 2.83Å; V193-N295 HydrophobicContact CG2-CB 3.8Å; F205-N295 HydrophobicContact CE1-CB 4.21Å; F205-N295 HydrophobicContact CZ-CB 4.26Å; T291-N295 WeakPolarHBondContact O-CB 3.48Å; T291-N295 PolarHBondContact O-N 3.16Å; T291-N295 PolarHBondContact O-OD1 3.49Å; L292-N295 PolarHBondContact O-N 2.84Å; N295-K298 PolarHBondContact O-N 3.47Å; N295-C299 PolarHBondContact O-N 3.41Å; N295-C299 VanDerWaalsContact O-N 3.11Å; N295-C299 PolarHBondContact O-SG 3.31Å
296	A	95.9	Very high	95.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.6	-49.7	174	0	0	0	0	0	111	F201 F205 F209 Y238 L292 V293 K298 C299 D300	F201-A296 HydrophobicContact CE2-CB 4.3Å; F201-A296 WeakPolarHBondContact CE2-O 3.36Å; F205-A296 HydrophobicContact CD1-CB 3.56Å; F205-A296 HydrophobicContact CE1-CB 3.67Å; F205-A296 HydrophobicContact CG-CB 4.06Å; F205-A296 HydrophobicContact CZ-CB 4.26Å; F209-A296 HydrophobicContact CE2-CB 3.83Å; F209-A296 HydrophobicContact CZ-CB 3.79Å; Y238-A296 HydrophobicContact CE1-CB 4.16Å; L292-A296 WeakPolarHBondContact O-CB 3.3Å; L292-A296 PolarHBondContact O-N 3.35Å; V293-A296 PolarHBondContact O-N 3.09Å; A296-K298 PolarHBondContact O-N 2.87Å; A296-C299 PolarHBondContact O-N 2.94Å; A296-D300 WeakPolarHBondContact O-CB 3.48Å; A296-D300 PolarHBondContact O-N 3.41Å
297	Y	95.2	Very high	95.1	Very high	73 Å²	73	54.8 Å²	54.8	29%	0.286	24%	0.243	S	C	.	.	H	α-helix	trans	-61.4	-29	-179.2	-171.1	-98.9	0	0	0	113.6	Y238 V293 E294 I303 K307	Y238-Y297 AromaticContact CD1-CD2 3.84Å; Y238-Y297 HydrophobicContact CD1-CD2 3.84Å; Y238-Y297 HydrophobicContact CD1-CG 4.5Å; Y238-Y297 AromaticContact CD2-CD2 3.93Å; Y238-Y297 HydrophobicContact CD2-CD2 3.93Å; Y238-Y297 HydrophobicContact CD2-CE2 4.37Å; Y238-Y297 AromaticContact CE1-CD2 3.95Å; Y238-Y297 HydrophobicContact CE1-CD2 3.95Å; Y238-Y297 HydrophobicContact CE1-CG 4.39Å; Y238-Y297 HydrophobicContact CE2-CD2 4.04Å; Y238-Y297 AromaticContact CG-CD2 3.85Å; Y238-Y297 HydrophobicContact CG-CD2 3.85Å; Y238-Y297 HydrophobicContact CG-CE2 4.47Å; V293-Y297 VanDerWaalsContact O-CB 3.3Å; V293-Y297 WeakPolarHBondContact O-CB 3.36Å; V293-Y297 PolarHBondContact O-N 3.01Å; E294-Y297 PolarHBondContact O-N 3.04Å; Y297-I303 HydrophobicContact CD1-CG2 4.44Å; Y297-I303 HydrophobicContact CD2-CD1 4.1Å; Y297-I303 HydrophobicContact CD2-CG1 3.93Å; Y297-I303 HydrophobicContact CD2-CG2 4.19Å; Y297-I303 HydrophobicContact CE1-CG2 3.99Å; Y297-I303 HydrophobicContact CE2-CB 4.43Å; Y297-I303 HydrophobicContact CE2-CD1 3.6Å; Y297-I303 HydrophobicContact CE2-CG1 3.83Å; Y297-I303 HydrophobicContact CE2-CG2 3.71Å; Y297-K307 WeakPolarHBondContact OH-CE 3.46Å
298	K	94.6	Very high	95	Very high	127 Å²	127	52.6 Å²	52.6	55%	0.552	24%	0.235	S	C	*	.	H	α-helix	trans	-79	-30.1	175	-73.1	167.7	-172.7	164.5	0	113	V193 E294 N295 A296	V193-K298 HydrophobicContact CG2-CB 4.32Å; V193-K298 HydrophobicContact CG2-CD 4.23Å; E294-K298 VanDerWaalsContact O-CG 3.25Å; E294-K298 WeakPolarHBondContact O-CG 3.45Å; E294-K298 PolarHBondContact O-N 2.94Å; N295-K298 PolarHBondContact O-N 3.47Å; A296-K298 PolarHBondContact O-N 2.87Å
299	C	94.7	Very high	94.8	Very high	7 Å²	7	56.9 Å²	56.9	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-90.1	-21.8	-179.5	-69.1	0	0	0	0	113.4	K198 F201 F205 N295 A296 P301	K198-C299 HydrophobicContact CG-CB 4.14Å; F201-C299 HydrophobicContact CD2-CB 3.89Å; F201-C299 HydrophobicContact CE2-CB 4.3Å; F205-C299 HydrophobicContact CE2-CB 3.88Å; F205-C299 HydrophobicContact CZ-CB 4.37Å; N295-C299 PolarHBondContact O-N 3.41Å; N295-C299 VanDerWaalsContact O-N 3.11Å; N295-C299 PolarHBondContact O-SG 3.31Å; A296-C299 PolarHBondContact O-N 2.94Å; C299-P301 VanDerWaalsContact O-CD 3.27Å; C299-P301 WeakPolarHBondContact O-CD 3.36Å
300	D	94.6	Very high	94.7	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.021	27%	0.267	C	S	.	.			trans	-63.1	117.3	-172.6	-165.1	-36.6	0	0	0	112.8	F201 Y238 A296 R302 I303 K304	F201-D300 HydrophobicContact CE1-CB 4.1Å; F201-D300 HydrophobicContact CE2-CB 3.82Å; F201-D300 HydrophobicContact CZ-CB 3.53Å; F201-D300 VanDerWaalsContact CZ-CG 3.47Å; F201-D300 WeakPolarHBondContact CZ-OD2 3.44Å; Y238-D300 WeakPolarHBondContact CE2-OD2 3.39Å; Y238-D300 VanDerWaalsContact OH-CB 3.27Å; Y238-D300 WeakPolarHBondContact OH-CB 3.4Å; Y238-D300 PolarHBondContact OH-OD2 3.39Å; A296-D300 WeakPolarHBondContact O-CB 3.48Å; A296-D300 PolarHBondContact O-N 3.41Å; D300-R302 VanDerWaalsContact C-N 3.27Å; D300-R302 PolarHBondContact O-N 2.94Å; D300-R302 WeakPolarHBondContact OD1-CA 3.43Å; D300-R302 VanDerWaalsContact OD1-CB 3.23Å; D300-R302 WeakPolarHBondContact OD1-CB 3.41Å; D300-R302 PolarHBondContact OD1-N 2.98Å; D300-R302 IonicContact OD1-NE 2.76Å; D300-R302 PolarHBondContact OD1-NE 3.24Å; D300-R302 IonicContact OD2-CZ 3.36Å; D300-R302 IonicContact OD2-NE 3.71Å; D300-R302 PolarHBondContact OD2-NE 3.14Å; D300-R302 IonicContact OD2-NH2 3.43Å; D300-R302 PolarHBondContact OD2-NH2 2.93Å; D300-I303 HydrophobicContact CB-CB 4.15Å; D300-I303 HydrophobicContact CB-CG1 3.87Å; D300-I303 PolarHBondContact O-N 3.32Å; D300-K304 PolarHBondContact O-N 3.41Å
301	P	92.6	Very high	94.7	Very high	60 Å²	60	59.7 Å²	59.7	39%	0.39	27%	0.272	S	S	.	.	H	α-helix	trans	-61.3	-31.8	177.4	-23.8	34.9	0	0	0	113.7	C299 K304 R305	C299-P301 VanDerWaalsContact O-CD 3.27Å; C299-P301 WeakPolarHBondContact O-CD 3.36Å; P301-K304 PolarHBondContact O-N 3.04Å; P301-R305 WeakPolarHBondContact O-CG 3.44Å; P301-R305 PolarHBondContact O-N 2.72Å
302	R	94	Very high	94.7	Very high	5 Å²	5	64 Å²	64	2%	0.019	29%	0.286	C	S	.	.	H	α-helix	trans	-68.7	-45.3	-178.5	-58.8	170.9	-67.3	-178.1	5.9	110.6	L224 K226 D229 D300 K304 R305 F306	L224-R302 PolarHBondContact O-NH1 3.42Å; L224-R302 PolarHBondContact O-NH2 2.71Å; K226-R302 WeakPolarHBondContact O-CD 3.28Å; K226-R302 PolarHBondContact O-NH1 3.47Å; D229-R302 IonicContact OD2-NH1 3.49Å; D229-R302 PolarHBondContact OD2-NH1 2.85Å; D300-R302 VanDerWaalsContact C-N 3.27Å; D300-R302 PolarHBondContact O-N 2.94Å; D300-R302 WeakPolarHBondContact OD1-CA 3.43Å; D300-R302 VanDerWaalsContact OD1-CB 3.23Å; D300-R302 WeakPolarHBondContact OD1-CB 3.41Å; D300-R302 PolarHBondContact OD1-N 2.98Å; D300-R302 IonicContact OD1-NE 2.76Å; D300-R302 PolarHBondContact OD1-NE 3.24Å; D300-R302 IonicContact OD2-CZ 3.36Å; D300-R302 IonicContact OD2-NE 3.71Å; D300-R302 PolarHBondContact OD2-NE 3.14Å; D300-R302 IonicContact OD2-NH2 3.43Å; D300-R302 PolarHBondContact OD2-NH2 2.93Å; R302-K304 VanDerWaalsContact C-N 3.27Å; R302-K304 PolarHBondContact O-N 3.37Å; R302-R305 WeakPolarHBondContact O-CB 3.3Å; R302-R305 PolarHBondContact O-N 3.47Å; R302-R305 VanDerWaalsContact O-N 3.1Å; R302-F306 HydrophobicContact CB-CE2 3.89Å; R302-F306 HydrophobicContact CB-CZ 4.25Å; R302-F306 VanDerWaalsContact O-CD2 3.22Å; R302-F306 WeakPolarHBondContact O-CD2 3.46Å; R302-F306 VanDerWaalsContact O-CG 3.3Å; R302-F306 WeakPolarHBondContact O-CG 3.35Å; R302-F306 PolarHBondContact O-N 2.87Å
303	I	93.6	Very high	94.7	Very high	4 Å²	4	71.5 Å²	71.5	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-60.1	-38.4	176.6	-65.2	-59	0	0	0	111.6	V234 Y238 Y297 D300 F306 K307	V234-I303 HydrophobicContact CG1-CD1 3.57Å; V234-I303 HydrophobicContact CG1-CG1 4.22Å; Y238-I303 HydrophobicContact CD2-CD1 4.04Å; Y238-I303 HydrophobicContact CD2-CG1 4.39Å; Y238-I303 HydrophobicContact CE2-CD1 3.88Å; Y238-I303 HydrophobicContact CE2-CG1 3.76Å; Y297-I303 HydrophobicContact CD1-CG2 4.44Å; Y297-I303 HydrophobicContact CD2-CD1 4.1Å; Y297-I303 HydrophobicContact CD2-CG1 3.93Å; Y297-I303 HydrophobicContact CD2-CG2 4.19Å; Y297-I303 HydrophobicContact CE1-CG2 3.99Å; Y297-I303 HydrophobicContact CE2-CB 4.43Å; Y297-I303 HydrophobicContact CE2-CD1 3.6Å; Y297-I303 HydrophobicContact CE2-CG1 3.83Å; Y297-I303 HydrophobicContact CE2-CG2 3.71Å; D300-I303 HydrophobicContact CB-CB 4.15Å; D300-I303 HydrophobicContact CB-CG1 3.87Å; D300-I303 PolarHBondContact O-N 3.32Å; I303-F306 HydrophobicContact CD1-CD2 4.34Å; I303-F306 PolarHBondContact O-N 2.96Å; I303-K307 HydrophobicContact CG2-CD 4.02Å; I303-K307 VanDerWaalsContact CG2-CE 3.48Å; I303-K307 HydrophobicContact CG2-CG 4.46Å; I303-K307 WeakPolarHBondContact O-CB 3.27Å; I303-K307 VanDerWaalsContact O-CG 3.32Å; I303-K307 WeakPolarHBondContact O-CG 3.4Å; I303-K307 PolarHBondContact O-N 3.2Å
304	K	91.3	Very high	94.6	Very high	136 Å²	136	78.6 Å²	78.6	59%	0.591	34%	0.341	S	S	*	.	H	α-helix	trans	-62.1	-45.6	175.3	-173.4	-178.9	174.5	-171.8	0	111.2	D300 P301 R302 K307 E308	D300-K304 PolarHBondContact O-N 3.41Å; P301-K304 PolarHBondContact O-N 3.04Å; R302-K304 VanDerWaalsContact C-N 3.27Å; R302-K304 PolarHBondContact O-N 3.37Å; K304-K307 PolarHBondContact O-N 3.11Å; K304-E308 WeakPolarHBondContact CE-OE1 3.25Å; K304-E308 WeakPolarHBondContact O-CG 3.44Å; K304-E308 PolarHBondContact O-N 3.3Å
305	R	92.3	Very high	94.6	Very high	147 Å²	147	79.8 Å²	79.8	56%	0.555	35%	0.347	S	S	*	.	H	α-helix	trans	-59.2	-49	176.1	-68.4	170.3	60.2	-168.7	-2	111.6	P301 R302 K307 E308 E309	P301-R305 WeakPolarHBondContact O-CG 3.44Å; P301-R305 PolarHBondContact O-N 2.72Å; R302-R305 WeakPolarHBondContact O-CB 3.3Å; R302-R305 PolarHBondContact O-N 3.47Å; R302-R305 VanDerWaalsContact O-N 3.1Å; R305-K307 PolarHBondContact O-N 2.9Å; R305-E308 PolarHBondContact O-N 3.41Å; R305-E309 WeakPolarHBondContact O-CB 3.5Å; R305-E309 PolarHBondContact O-N 2.82Å
306	F	93.8	Very high	94.6	Very high	28 Å²	28	81.4 Å²	81.4	12%	0.123	36%	0.363	C	S	.	.	H	α-helix	trans	-62.5	-40.1	179.7	-57.3	-37.6	0	0	0	112.5	E231 V234 R302 I303 E308 E309 E310	E231-F306 HydrophobicContact CB-CD1 4.08Å; E231-F306 HydrophobicContact CB-CD2 4.13Å; E231-F306 HydrophobicContact CB-CE1 3.93Å; E231-F306 HydrophobicContact CB-CE2 3.98Å; E231-F306 HydrophobicContact CB-CG 4.19Å; E231-F306 HydrophobicContact CB-CZ 3.88Å; E231-F306 HydrophobicContact CG-CB 4.49Å; E231-F306 HydrophobicContact CG-CD1 4.38Å; E231-F306 HydrophobicContact CG-CD2 3.95Å; E231-F306 HydrophobicContact CG-CE2 4.24Å; E231-F306 HydrophobicContact CG-CG 4.04Å; V234-F306 HydrophobicContact CB-CE2 4.07Å; V234-F306 HydrophobicContact CG1-CE2 4.27Å; V234-F306 HydrophobicContact CG2-CE2 4.05Å; R302-F306 HydrophobicContact CB-CE2 3.89Å; R302-F306 HydrophobicContact CB-CZ 4.25Å; R302-F306 VanDerWaalsContact O-CD2 3.22Å; R302-F306 WeakPolarHBondContact O-CD2 3.46Å; R302-F306 VanDerWaalsContact O-CG 3.3Å; R302-F306 WeakPolarHBondContact O-CG 3.35Å; R302-F306 PolarHBondContact O-N 2.87Å; I303-F306 HydrophobicContact CD1-CD2 4.34Å; I303-F306 PolarHBondContact O-N 2.96Å; F306-E308 PolarHBondContact O-N 3.01Å; F306-E309 PolarHBondContact O-N 3.48Å; F306-E310 WeakPolarHBondContact O-CB 3.43Å; F306-E310 PolarHBondContact O-N 3.08Å
307	K	93.6	Very high	94.7	Very high	110 Å²	110	85.1 Å²	85.1	48%	0.478	38%	0.382	S	S	.	.	H	α-helix	trans	-63.2	-41.2	175.2	-75.8	173.8	-177.2	165.2	0	112.6	Y297 I303 K304 R305 K311	Y297-K307 WeakPolarHBondContact OH-CE 3.46Å; I303-K307 HydrophobicContact CG2-CD 4.02Å; I303-K307 VanDerWaalsContact CG2-CE 3.48Å; I303-K307 HydrophobicContact CG2-CG 4.46Å; I303-K307 WeakPolarHBondContact O-CB 3.27Å; I303-K307 VanDerWaalsContact O-CG 3.32Å; I303-K307 WeakPolarHBondContact O-CG 3.4Å; I303-K307 PolarHBondContact O-N 3.2Å; K304-K307 PolarHBondContact O-N 3.11Å; R305-K307 PolarHBondContact O-N 2.9Å; K307-K311 WeakPolarHBondContact O-CB 3.48Å; K307-K311 PolarHBondContact O-N 3.13Å
308	E	94.2	Very high	94.8	Very high	95 Å²	95	88.8 Å²	88.8	44%	0.444	40%	0.4	S	S	.	.	H	α-helix	trans	-68.5	-40.5	177	-72.4	174.2	-169.9	0	0	111.9	K304 R305 F306 K311 K312	K304-E308 WeakPolarHBondContact CE-OE1 3.25Å; K304-E308 WeakPolarHBondContact O-CG 3.44Å; K304-E308 PolarHBondContact O-N 3.3Å; R305-E308 PolarHBondContact O-N 3.41Å; F306-E308 PolarHBondContact O-N 3.01Å; E308-K311 PolarHBondContact O-N 2.88Å; E308-K312 WeakPolarHBondContact O-CG 3.33Å; E308-K312 PolarHBondContact O-N 3.35Å
309	E	93.6	Very high	94.8	Very high	124 Å²	124	89.3 Å²	89.3	58%	0.579	40%	0.404	S	S	*	.	H	α-helix	trans	-65.4	-47	176.4	-176.3	164.5	-161.6	0	0	112.2	R305 F306 K311 K312 R313	R305-E309 WeakPolarHBondContact O-CB 3.5Å; R305-E309 PolarHBondContact O-N 2.82Å; F306-E309 PolarHBondContact O-N 3.48Å; E309-K311 VanDerWaalsContact C-N 3.29Å; E309-K311 PolarHBondContact O-N 3.04Å; E309-K312 PolarHBondContact O-N 2.68Å; E309-R313 WeakPolarHBondContact O-CB 3.44Å; E309-R313 PolarHBondContact O-N 2.97Å
310	E	94.7	Very high	95	Very high	60 Å²	60	98.8 Å²	98.8	28%	0.28	44%	0.439	S	S	.	.	H	α-helix	trans	-63.5	-35.7	175.9	176.9	60.5	-170.9	0	0	111.4	F306 R313 R314	F306-E310 WeakPolarHBondContact O-CB 3.43Å; F306-E310 PolarHBondContact O-N 3.08Å; E310-R313 PolarHBondContact O-N 2.83Å; E310-R313 IonicContact OE2-NH1 2.68Å; E310-R314 WeakPolarHBondContact O-CB 3.33Å; E310-R314 VanDerWaalsContact O-CG 3.25Å; E310-R314 WeakPolarHBondContact O-CG 3.35Å; E310-R314 PolarHBondContact O-N 3.28Å; E310-R314 IonicContact OE1-CZ 3.75Å; E310-R314 VanDerWaalsContact OE1-CZ 3.27Å; E310-R314 IonicContact OE1-NE 3.97Å; E310-R314 PolarHBondContact OE1-NE 2.89Å; E310-R314 IonicContact OE1-NH2 3.58Å; E310-R314 PolarHBondContact OE1-NH2 3.2Å
311	K	96.2	Very high	95.1	Very high	127 Å²	127	105.7 Å²	105.7	55%	0.552	47%	0.469	S	S	*	.	H	α-helix	trans	-62.4	-50.2	172.3	-177.6	-178	172.7	-173.9	0	111.3	K307 E308 E309 R313 R314 E315	K307-K311 WeakPolarHBondContact O-CB 3.48Å; K307-K311 PolarHBondContact O-N 3.13Å; E308-K311 PolarHBondContact O-N 2.88Å; E309-K311 VanDerWaalsContact C-N 3.29Å; E309-K311 PolarHBondContact O-N 3.04Å; K311-R313 VanDerWaalsContact C-N 3.31Å; K311-R313 PolarHBondContact O-N 3.25Å; K311-R314 PolarHBondContact O-N 2.96Å; K311-E315 WeakPolarHBondContact CE-OE1 3.23Å; K311-E315 WeakPolarHBondContact O-CG 3.32Å; K311-E315 PolarHBondContact O-N 2.97Å
312	K	96.4	Very high	95.3	Very high	142 Å²	142	112.5 Å²	112.5	62%	0.617	49%	0.486	S	S	*	.	H	α-helix	trans	-59.1	-42.1	176.8	-73.9	174.4	-178.1	176.4	0	111.5	E308 E309 E315 A316	E308-K312 WeakPolarHBondContact O-CG 3.33Å; E308-K312 PolarHBondContact O-N 3.35Å; E309-K312 PolarHBondContact O-N 2.68Å; K312-E315 PolarHBondContact O-N 3.04Å; K312-A316 WeakPolarHBondContact O-CB 3.36Å; K312-A316 PolarHBondContact O-N 2.74Å
313	R	95.6	Very high	95.4	Very high	159 Å²	159	116.8 Å²	116.8	60%	0.6	51%	0.509	S	S	*	.	H	α-helix	trans	-62.1	-44.8	176.8	-172.9	177.6	178.5	-136.6	6.7	111.8	E309 E310 K311 A316 I317	E309-R313 WeakPolarHBondContact O-CB 3.44Å; E309-R313 PolarHBondContact O-N 2.97Å; E310-R313 PolarHBondContact O-N 2.83Å; E310-R313 IonicContact OE2-NH1 2.68Å; K311-R313 VanDerWaalsContact C-N 3.31Å; K311-R313 PolarHBondContact O-N 3.25Å; R313-A316 PolarHBondContact O-N 3.06Å; R313-I317 HydrophobicContact CG-CD1 4.14Å; R313-I317 WeakPolarHBondContact O-CD1 2.95Å; R313-I317 VanDerWaalsContact O-CG1 3.23Å; R313-I317 WeakPolarHBondContact O-CG1 3.41Å; R313-I317 PolarHBondContact O-N 3.31Å
314	R	96.7	Very high	95.6	Very high	148 Å²	148	119 Å²	119	56%	0.558	53%	0.528	S	S	*	.	H	α-helix	trans	-63.6	-40.8	175.6	-74.2	176	-175.5	-160.8	4	112.4	E310 K311 K318	E310-R314 WeakPolarHBondContact O-CB 3.33Å; E310-R314 VanDerWaalsContact O-CG 3.25Å; E310-R314 WeakPolarHBondContact O-CG 3.35Å; E310-R314 PolarHBondContact O-N 3.28Å; E310-R314 IonicContact OE1-CZ 3.75Å; E310-R314 VanDerWaalsContact OE1-CZ 3.27Å; E310-R314 IonicContact OE1-NE 3.97Å; E310-R314 PolarHBondContact OE1-NE 2.89Å; E310-R314 IonicContact OE1-NH2 3.58Å; E310-R314 PolarHBondContact OE1-NH2 3.2Å; K311-R314 PolarHBondContact O-N 2.96Å; R314-K318 VanDerWaalsContact O-CG 3.3Å; R314-K318 WeakPolarHBondContact O-CG 3.36Å; R314-K318 PolarHBondContact O-N 2.91Å; R314-K318 VanDerWaalsContact O-N 3.09Å
315	E	96.4	Very high	95.9	Very high	99 Å²	99	119.8 Å²	119.8	46%	0.463	53%	0.532	S	S	.	.	H	α-helix	trans	-66	-46.4	176.9	-73.5	170.5	179.4	0	0	111.3	K311 K312 I317 K318 E319	K311-E315 WeakPolarHBondContact CE-OE1 3.23Å; K311-E315 WeakPolarHBondContact O-CG 3.32Å; K311-E315 PolarHBondContact O-N 2.97Å; K312-E315 PolarHBondContact O-N 3.04Å; E315-I317 VanDerWaalsContact C-N 3.35Å; E315-I317 PolarHBondContact O-N 3.17Å; E315-K318 WeakPolarHBondContact O-CB 3.13Å; E315-K318 PolarHBondContact O-N 3.21Å; E315-K318 VanDerWaalsContact O-N 3.14Å; E315-E319 WeakPolarHBondContact O-CB 3.47Å; E315-E319 PolarHBondContact O-N 3.16Å
316	A	96.8	Very high	96	Very high	54 Å²	54	120.3 Å²	120.3	45%	0.446	53%	0.534	S	S	.	.	H	α-helix	trans	-60.7	-39.8	175.8	0	0	0	0	0	112.7	K312 R313 E319 R320	K312-A316 WeakPolarHBondContact O-CB 3.36Å; K312-A316 PolarHBondContact O-N 2.74Å; R313-A316 PolarHBondContact O-N 3.06Å; A316-E319 PolarHBondContact O-N 3.28Å; A316-R320 VanDerWaalsContact O-CB 3.27Å; A316-R320 WeakPolarHBondContact O-CB 3.49Å; A316-R320 PolarHBondContact O-N 3.44Å
317	I	97.5	Very high	96.2	Very high	78 Å²	78	124 Å²	124	40%	0.4	55%	0.551	S	S	.	*	H	α-helix	trans	-64.3	-43	174.8	-69.9	165.3	0	0	0	111	R313 E315 K321	R313-I317 HydrophobicContact CG-CD1 4.14Å; R313-I317 WeakPolarHBondContact O-CD1 2.95Å; R313-I317 VanDerWaalsContact O-CG1 3.23Å; R313-I317 WeakPolarHBondContact O-CG1 3.41Å; R313-I317 PolarHBondContact O-N 3.31Å; E315-I317 VanDerWaalsContact C-N 3.35Å; E315-I317 PolarHBondContact O-N 3.17Å; I317-K321 HydrophobicContact CG2-CD 4.29Å; I317-K321 WeakPolarHBondContact O-CB 3.37Å; I317-K321 WeakPolarHBondContact O-CG 3.48Å; I317-K321 PolarHBondContact O-N 3.42Å
318	K	97.3	Very high	96.3	Very high	151 Å²	151	124.4 Å²	124.4	66%	0.657	56%	0.558	S	S	*	*	H	α-helix	trans	-65.1	-43.2	177.6	-74.1	172.5	-178.1	178.4	0	111.3	R314 E315 K321 R322	R314-K318 VanDerWaalsContact O-CG 3.3Å; R314-K318 WeakPolarHBondContact O-CG 3.36Å; R314-K318 PolarHBondContact O-N 2.91Å; R314-K318 VanDerWaalsContact O-N 3.09Å; E315-K318 WeakPolarHBondContact O-CB 3.13Å; E315-K318 PolarHBondContact O-N 3.21Å; E315-K318 VanDerWaalsContact O-N 3.14Å; K318-K321 PolarHBondContact O-N 3.31Å; K318-R322 WeakPolarHBondContact O-CB 3.48Å; K318-R322 PolarHBondContact O-N 3.05Å
319	E	96.1	Very high	96.4	Very high	137 Å²	137	124.1 Å²	124.1	64%	0.64	56%	0.557	S	S	*	*	H	α-helix	trans	-62.7	-48.4	176.5	-173.4	-178.8	-168.5	0	0	111.4	E315 A316 K321 R322 L323	E315-E319 WeakPolarHBondContact O-CB 3.47Å; E315-E319 PolarHBondContact O-N 3.16Å; A316-E319 PolarHBondContact O-N 3.28Å; E319-K321 VanDerWaalsContact C-N 3.32Å; E319-K321 PolarHBondContact O-N 2.87Å; E319-R322 WeakPolarHBondContact O-CB 3.49Å; E319-R322 PolarHBondContact O-N 3.41Å; E319-R322 VanDerWaalsContact O-N 3.07Å; E319-L323 PolarHBondContact O-N 3.47Å
320	R	97.1	Very high	96.5	Very high	206 Å²	206	122.7 Å²	122.7	78%	0.777	55%	0.55	S	S	*	*	H	α-helix	trans	-57.9	-43.1	176.1	-174.1	177.5	177.8	-177.6	0.2	111.9	A316 L323 A324	A316-R320 VanDerWaalsContact O-CB 3.27Å; A316-R320 WeakPolarHBondContact O-CB 3.49Å; A316-R320 PolarHBondContact O-N 3.44Å; R320-L323 PolarHBondContact O-N 3.48Å; R320-A324 VanDerWaalsContact O-CB 3.28Å; R320-A324 WeakPolarHBondContact O-CB 3.32Å; R320-A324 PolarHBondContact O-N 3.06Å
321	K	97.5	Very high	96.5	Very high	149 Å²	149	126.1 Å²	126.1	65%	0.648	57%	0.566	S	S	*	*	H	α-helix	trans	-64.1	-39.7	175.1	-76.3	179.3	178.2	-178.4	0	112.3	I317 K318 E319 K325	I317-K321 HydrophobicContact CG2-CD 4.29Å; I317-K321 WeakPolarHBondContact O-CB 3.37Å; I317-K321 WeakPolarHBondContact O-CG 3.48Å; I317-K321 PolarHBondContact O-N 3.42Å; K318-K321 PolarHBondContact O-N 3.31Å; E319-K321 VanDerWaalsContact C-N 3.32Å; E319-K321 PolarHBondContact O-N 2.87Å; K321-K325 WeakPolarHBondContact O-CB 3.41Å; K321-K325 PolarHBondContact O-N 3.41Å
322	R	97.1	Very high	96.5	Very high	203 Å²	203	126.3 Å²	126.3	77%	0.766	56%	0.564	S	S	*	*	H	α-helix	trans	-65.8	-45.7	176.9	-177.7	-176.4	175.4	-168.1	-0.9	111.4	K318 E319 K325 R326	K318-R322 WeakPolarHBondContact O-CB 3.48Å; K318-R322 PolarHBondContact O-N 3.05Å; E319-R322 WeakPolarHBondContact O-CB 3.49Å; E319-R322 PolarHBondContact O-N 3.41Å; E319-R322 VanDerWaalsContact O-N 3.07Å; R322-K325 PolarHBondContact O-N 2.99Å; R322-R326 PolarHBondContact O-N 3.39Å
323	L	96.8	Very high	96.5	Very high	95 Å²	95	124.2 Å²	124.2	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-64.8	-46.4	178.9	-175.7	62	0	0	0	111.3	E319 R320 K325 R326 Q327	E319-L323 PolarHBondContact O-N 3.47Å; R320-L323 PolarHBondContact O-N 3.48Å; L323-K325 VanDerWaalsContact C-N 3.33Å; L323-K325 PolarHBondContact O-N 3.21Å; L323-R326 PolarHBondContact O-N 3.38Å; L323-R326 VanDerWaalsContact O-N 3.16Å; L323-Q327 WeakPolarHBondContact O-CG 3.25Å; L323-Q327 PolarHBondContact O-N 2.89Å
324	A	96.8	Very high	96.5	Very high	51 Å²	51	124.1 Å²	124.1	42%	0.421	56%	0.562	S	S	.	*	H	α-helix	trans	-60.4	-40.6	176.3	0	0	0	0	0	112.3	R320 L328	R320-A324 VanDerWaalsContact O-CB 3.28Å; R320-A324 WeakPolarHBondContact O-CB 3.32Å; R320-A324 PolarHBondContact O-N 3.06Å; A324-L328 WeakPolarHBondContact O-CB 3.16Å; A324-L328 PolarHBondContact O-N 3.14Å
325	K	96.7	Very high	96.5	Very high	153 Å²	153	121.3 Å²	121.3	67%	0.665	56%	0.558	S	S	*	*	H	α-helix	trans	-64.9	-40.1	175.4	-175.2	179.5	176.5	-175.1	0	112.2	K321 R322 L323 E329	K321-K325 WeakPolarHBondContact O-CB 3.41Å; K321-K325 PolarHBondContact O-N 3.41Å; R322-K325 PolarHBondContact O-N 2.99Å; L323-K325 VanDerWaalsContact C-N 3.33Å; L323-K325 PolarHBondContact O-N 3.21Å; K325-E329 WeakPolarHBondContact O-CB 3.41Å; K325-E329 PolarHBondContact O-N 3.31Å
326	R	96.1	Very high	96.4	Very high	158 Å²	158	122.2 Å²	122.2	60%	0.596	56%	0.56	S	S	*	*	H	α-helix	trans	-65	-46.2	177.3	-179	177.7	175.3	173.8	1.1	111.3	R322 L323 L328 E329 E330	R322-R326 PolarHBondContact O-N 3.39Å; L323-R326 PolarHBondContact O-N 3.38Å; L323-R326 VanDerWaalsContact O-N 3.16Å; R326-L328 PolarHBondContact O-N 2.95Å; R326-E329 PolarHBondContact O-N 2.93Å; R326-E330 HydrophobicContact CG-CG 4.37Å; R326-E330 WeakPolarHBondContact CG-OE1 3.41Å; R326-E330 IonicContact CZ-OE1 3.54Å; R326-E330 IonicContact NE-OE1 3.41Å; R326-E330 PolarHBondContact NE-OE1 2.9Å; R326-E330 IonicContact NH2-OE1 2.81Å; R326-E330 PolarHBondContact NH2-OE1 3.13Å; R326-E330 WeakPolarHBondContact O-CB 3.29Å; R326-E330 WeakPolarHBondContact O-CG 3.46Å; R326-E330 PolarHBondContact O-N 3.5Å
327	Q	96.5	Very high	96.4	Very high	104 Å²	104	122.5 Å²	122.5	49%	0.486	56%	0.563	S	S	.	*	H	α-helix	trans	-58.8	-46.7	176.3	-72.8	174.2	-25.6	0	0	111.3	L323 E329 E330 E331	L323-Q327 WeakPolarHBondContact O-CG 3.25Å; L323-Q327 PolarHBondContact O-N 2.89Å; Q327-E329 VanDerWaalsContact C-N 3.31Å; Q327-E329 PolarHBondContact O-N 3.06Å; Q327-E330 PolarHBondContact O-N 3.45Å; Q327-E331 WeakPolarHBondContact O-CB 3.4Å; Q327-E331 WeakPolarHBondContact O-CG 3.18Å; Q327-E331 PolarHBondContact O-N 2.93Å
328	L	97	Very high	96.3	Very high	120 Å²	120	124.5 Å²	124.5	63%	0.628	57%	0.571	S	S	*	*	H	α-helix	trans	-62.6	-36.7	177.4	-174.4	66.9	0	0	0	112.8	A324 R326 R332	A324-L328 WeakPolarHBondContact O-CB 3.16Å; A324-L328 PolarHBondContact O-N 3.14Å; R326-L328 PolarHBondContact O-N 2.95Å; L328-R332 VanDerWaalsContact O-CB 3.3Å; L328-R332 WeakPolarHBondContact O-CB 3.44Å; L328-R332 PolarHBondContact O-N 2.9Å
329	E	95.3	Very high	96.3	Very high	88 Å²	88	123 Å²	123	41%	0.411	56%	0.564	S	S	.	*	H	α-helix	trans	-70.9	-42.6	176.3	179.5	157.7	-138.7	0	0	112.4	K325 R326 Q327 R332 L333	K325-E329 WeakPolarHBondContact O-CB 3.41Å; K325-E329 PolarHBondContact O-N 3.31Å; R326-E329 PolarHBondContact O-N 2.93Å; Q327-E329 VanDerWaalsContact C-N 3.31Å; Q327-E329 PolarHBondContact O-N 3.06Å; E329-R332 PolarHBondContact O-N 2.87Å; E329-R332 IonicContact OE1-NH2 3.94Å; E329-R332 PolarHBondContact OE1-NH2 3.38Å; E329-L333 HydrophobicContact CG-CD1 4.17Å; E329-L333 WeakPolarHBondContact O-CB 3.37Å; E329-L333 WeakPolarHBondContact O-CG 3.3Å; E329-L333 PolarHBondContact O-N 3.3Å
330	E	95.6	Very high	96.2	Very high	94 Å²	94	122.4 Å²	122.4	44%	0.439	56%	0.563	S	S	.	*	H	α-helix	trans	-61.7	-44.4	175	-74.2	173.6	-179.1	0	0	111	R326 Q327 R332 L333 K334	R326-E330 HydrophobicContact CG-CG 4.37Å; R326-E330 WeakPolarHBondContact CG-OE1 3.41Å; R326-E330 IonicContact CZ-OE1 3.54Å; R326-E330 IonicContact NE-OE1 3.41Å; R326-E330 PolarHBondContact NE-OE1 2.9Å; R326-E330 IonicContact NH2-OE1 2.81Å; R326-E330 PolarHBondContact NH2-OE1 3.13Å; R326-E330 WeakPolarHBondContact O-CB 3.29Å; R326-E330 WeakPolarHBondContact O-CG 3.46Å; R326-E330 PolarHBondContact O-N 3.5Å; Q327-E330 PolarHBondContact O-N 3.45Å; E330-R332 PolarHBondContact O-N 2.87Å; E330-L333 PolarHBondContact O-N 3.24Å; E330-K334 WeakPolarHBondContact O-CB 3.45Å; E330-K334 PolarHBondContact O-N 2.94Å
331	E	95.6	Very high	96.1	Very high	133 Å²	133	117.4 Å²	117.4	62%	0.621	55%	0.548	S	S	*	.	H	α-helix	trans	-62.1	-42	173.5	-74.5	-173.9	155.3	0	0	112.2	Q327 K334 L335	Q327-E331 WeakPolarHBondContact O-CB 3.4Å; Q327-E331 WeakPolarHBondContact O-CG 3.18Å; Q327-E331 PolarHBondContact O-N 2.93Å; E331-K334 PolarHBondContact O-N 2.94Å; E331-L335 WeakPolarHBondContact O-CB 3.31Å; E331-L335 PolarHBondContact O-N 3.43Å
332	R	96.6	Very high	96	Very high	131 Å²	131	119.3 Å²	119.3	49%	0.494	55%	0.551	S	S	.	*	H	α-helix	trans	-65.2	-40	177.2	-172.9	-176.5	70.5	-177.4	-2.7	112.1	L328 E329 E330 K336	L328-R332 VanDerWaalsContact O-CB 3.3Å; L328-R332 WeakPolarHBondContact O-CB 3.44Å; L328-R332 PolarHBondContact O-N 2.9Å; E329-R332 PolarHBondContact O-N 2.87Å; E329-R332 IonicContact OE1-NH2 3.94Å; E329-R332 PolarHBondContact OE1-NH2 3.38Å; E330-R332 PolarHBondContact O-N 2.87Å; R332-K336 WeakPolarHBondContact O-CB 3.42Å; R332-K336 VanDerWaalsContact O-CG 3.3Å; R332-K336 WeakPolarHBondContact O-CG 3.39Å; R332-K336 PolarHBondContact O-N 3.05Å
333	L	95.8	Very high	95.9	Very high	97 Å²	97	114.4 Å²	114.4	51%	0.508	54%	0.537	S	S	.	.	H	α-helix	trans	-67.7	-42.7	176.6	-73.6	172.4	0	0	0	110.9	E329 E330 K336 A337	E329-L333 HydrophobicContact CG-CD1 4.17Å; E329-L333 WeakPolarHBondContact O-CB 3.37Å; E329-L333 WeakPolarHBondContact O-CG 3.3Å; E329-L333 PolarHBondContact O-N 3.3Å; E330-L333 PolarHBondContact O-N 3.24Å; L333-K336 PolarHBondContact O-N 3.26Å; L333-A337 WeakPolarHBondContact O-CB 3.36Å; L333-A337 PolarHBondContact O-N 3.47Å
334	K	95.9	Very high	95.8	Very high	157 Å²	157	118.1 Å²	118.1	68%	0.683	54%	0.544	S	S	*	.	H	α-helix	trans	-59.7	-48.1	174.9	-171.3	177.8	179.3	-176.8	0	111.7	E330 E331 K336 A337 E338	E330-K334 WeakPolarHBondContact O-CB 3.45Å; E330-K334 PolarHBondContact O-N 2.94Å; E331-K334 PolarHBondContact O-N 2.94Å; K334-K336 VanDerWaalsContact C-N 3.32Å; K334-K336 PolarHBondContact O-N 2.98Å; K334-A337 PolarHBondContact O-N 2.84Å; K334-E338 WeakPolarHBondContact O-CB 3.32Å; K334-E338 PolarHBondContact O-N 2.98Å
335	L	95.8	Very high	95.7	Very high	89 Å²	89	121.2 Å²	121.2	47%	0.466	55%	0.548	S	S	.	.	H	α-helix	trans	-62.8	-36.5	177.6	-176	64.8	0	0	0	112.5	E331 K339	E331-L335 WeakPolarHBondContact O-CB 3.31Å; E331-L335 PolarHBondContact O-N 3.43Å; L335-K339 HydrophobicContact CG-CD 4.39Å; L335-K339 WeakPolarHBondContact O-CB 3.28Å; L335-K339 VanDerWaalsContact O-CG 3.25Å; L335-K339 WeakPolarHBondContact O-CG 3.45Å; L335-K339 PolarHBondContact O-N 3.37Å; L335-K339 VanDerWaalsContact O-N 3.08Å
336	K	95.8	Very high	95.6	Very high	118 Å²	118	120 Å²	120	51%	0.513	55%	0.545	S	S	.	.	H	α-helix	trans	-68.6	-43.9	174.8	-77.3	178.6	179.9	-174.2	0	111.8	R332 L333 K334 K339 M340	R332-K336 WeakPolarHBondContact O-CB 3.42Å; R332-K336 VanDerWaalsContact O-CG 3.3Å; R332-K336 WeakPolarHBondContact O-CG 3.39Å; R332-K336 PolarHBondContact O-N 3.05Å; L333-K336 PolarHBondContact O-N 3.26Å; K334-K336 VanDerWaalsContact C-N 3.32Å; K334-K336 PolarHBondContact O-N 2.98Å; K336-K339 PolarHBondContact O-N 2.98Å; K336-M340 WeakPolarHBondContact O-CB 3.13Å; K336-M340 VanDerWaalsContact O-CG 3.26Å; K336-M340 WeakPolarHBondContact O-CG 3.47Å; K336-M340 PolarHBondContact O-N 3.21Å
337	A	96	Very high	95.6	Very high	61 Å²	61	118.9 Å²	118.9	50%	0.504	55%	0.545	S	S	.	.	H	α-helix	trans	-61.1	-45.8	177.6	0	0	0	0	0	111.1	L333 K334 K339 M340 E341	L333-A337 WeakPolarHBondContact O-CB 3.36Å; L333-A337 PolarHBondContact O-N 3.47Å; K334-A337 PolarHBondContact O-N 2.84Å; A337-K339 PolarHBondContact O-N 3.24Å; A337-M340 PolarHBondContact O-N 2.91Å; A337-E341 WeakPolarHBondContact O-CB 3.3Å; A337-E341 PolarHBondContact O-N 3.44Å
338	E	95.8	Very high	95.5	Very high	120 Å²	120	119.7 Å²	119.7	56%	0.561	55%	0.548	S	S	*	.	H	α-helix	trans	-61.4	-43.7	176.7	-172.6	-176.9	171.6	0	0	112.2	K334 M340 E341 R342	K334-E338 WeakPolarHBondContact O-CB 3.32Å; K334-E338 PolarHBondContact O-N 2.98Å; E338-M340 PolarHBondContact O-N 3.46Å; E338-E341 PolarHBondContact O-N 3.47Å; E338-R342 WeakPolarHBondContact O-CB 3.43Å; E338-R342 PolarHBondContact O-N 3.47Å
339	K	96	Very high	95.5	Very high	120 Å²	120	116.3 Å²	116.3	52%	0.522	54%	0.537	S	S	.	.	H	α-helix	trans	-62.4	-42.7	175.1	-76.7	176.2	-179.4	-177.2	0	112.4	L335 K336 A337 R342 Q343	L335-K339 HydrophobicContact CG-CD 4.39Å; L335-K339 WeakPolarHBondContact O-CB 3.28Å; L335-K339 VanDerWaalsContact O-CG 3.25Å; L335-K339 WeakPolarHBondContact O-CG 3.45Å; L335-K339 PolarHBondContact O-N 3.37Å; L335-K339 VanDerWaalsContact O-N 3.08Å; K336-K339 PolarHBondContact O-N 2.98Å; A337-K339 PolarHBondContact O-N 3.24Å; K339-R342 PolarHBondContact O-N 3.28Å; K339-Q343 WeakPolarHBondContact O-CG 3.24Å; K339-Q343 PolarHBondContact O-N 3.04Å
340	M	94.5	Very high	95.4	Very high	124 Å²	124	116.2 Å²	116.2	61%	0.611	54%	0.537	S	S	*	.	H	α-helix	trans	-66.4	-41.1	178.3	-72	-61.2	-61.3	0	0	111.7	K336 A337 E338 Q343 R344	K336-M340 WeakPolarHBondContact O-CB 3.13Å; K336-M340 VanDerWaalsContact O-CG 3.26Å; K336-M340 WeakPolarHBondContact O-CG 3.47Å; K336-M340 PolarHBondContact O-N 3.21Å; A337-M340 PolarHBondContact O-N 2.91Å; E338-M340 PolarHBondContact O-N 3.46Å; M340-Q343 PolarHBondContact O-N 2.85Å; M340-R344 PolarHBondContact O-N 3.48Å
341	E	95	Very high	95.3	Very high	100 Å²	100	116.7 Å²	116.7	47%	0.467	54%	0.539	S	S	.	.	H	α-helix	trans	-63.4	-44.4	175.5	-170.5	-174.5	167.3	0	0	111.2	A337 E338 Q343 R344 K345	A337-E341 WeakPolarHBondContact O-CB 3.3Å; A337-E341 PolarHBondContact O-N 3.44Å; E338-E341 PolarHBondContact O-N 3.47Å; E341-Q343 PolarHBondContact O-N 3.26Å; E341-R344 PolarHBondContact O-N 3.41Å; E341-K345 WeakPolarHBondContact O-CG 3.45Å; E341-K345 PolarHBondContact O-N 3.07Å; E341-K345 WeakPolarHBondContact OE1-CE 3.33Å; E341-K345 IonicContact OE1-NZ 3.91Å; E341-K345 PolarHBondContact OE1-NZ 3.35Å
342	R	95.3	Very high	95.2	Very high	189 Å²	189	115.3 Å²	115.3	71%	0.713	53%	0.533	S	S	*	.	H	α-helix	trans	-59.4	-46.3	175.7	-175.9	176	176.1	174.1	0.3	111.9	E338 K339 R344 K345 E346	E338-R342 WeakPolarHBondContact O-CB 3.43Å; E338-R342 PolarHBondContact O-N 3.47Å; K339-R342 PolarHBondContact O-N 3.28Å; R342-R344 VanDerWaalsContact C-N 3.32Å; R342-R344 PolarHBondContact O-N 3.42Å; R342-K345 PolarHBondContact O-N 2.87Å; R342-E346 WeakPolarHBondContact O-CB 3.37Å; R342-E346 PolarHBondContact O-N 3.34Å
343	Q	94.6	Very high	95.1	Very high	100 Å²	100	116.6 Å²	116.6	47%	0.467	54%	0.538	S	S	.	.	H	α-helix	trans	-63.2	-36.8	176.6	-75.5	-178.3	-0.2	0	0	112.7	K339 M340 E341 K347	K339-Q343 WeakPolarHBondContact O-CG 3.24Å; K339-Q343 PolarHBondContact O-N 3.04Å; M340-Q343 PolarHBondContact O-N 2.85Å; E341-Q343 PolarHBondContact O-N 3.26Å; Q343-K347 WeakPolarHBondContact O-CB 3.3Å; Q343-K347 WeakPolarHBondContact O-CG 3.31Å; Q343-K347 PolarHBondContact O-N 2.86Å
344	R	95	Very high	94.9	Very high	173 Å²	173	115.2 Å²	115.2	65%	0.653	53%	0.533	S	S	*	.	H	α-helix	trans	-64.8	-47.9	176.7	-163.1	-177.1	87.2	-176.7	5.3	111	M340 E341 R342 E346 K347 E348	M340-R344 PolarHBondContact O-N 3.48Å; E341-R344 PolarHBondContact O-N 3.41Å; R342-R344 VanDerWaalsContact C-N 3.32Å; R342-R344 PolarHBondContact O-N 3.42Å; R344-E346 VanDerWaalsContact C-N 3.32Å; R344-E346 PolarHBondContact O-N 3.05Å; R344-K347 PolarHBondContact O-N 3.35Å; R344-E348 WeakPolarHBondContact O-CB 3.46Å; R344-E348 PolarHBondContact O-N 2.85Å
345	K	95.2	Very high	94.8	Very high	117 Å²	117	114.5 Å²	114.5	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-61	-39.8	177.4	-71.3	179.1	-177.3	169.7	0	112.1	E341 R342 A349	E341-K345 WeakPolarHBondContact O-CG 3.45Å; E341-K345 PolarHBondContact O-N 3.07Å; E341-K345 WeakPolarHBondContact OE1-CE 3.33Å; E341-K345 IonicContact OE1-NZ 3.91Å; E341-K345 PolarHBondContact OE1-NZ 3.35Å; R342-K345 PolarHBondContact O-N 2.87Å; K345-A349 VanDerWaalsContact O-CB 3.28Å; K345-A349 WeakPolarHBondContact O-CB 3.3Å; K345-A349 PolarHBondContact O-N 2.75Å
346	E	95.1	Very high	94.6	Very high	127 Å²	127	115.3 Å²	115.3	59%	0.593	53%	0.528	S	S	*	.	H	α-helix	trans	-67.3	-42.6	177.8	-174	172.5	-167.1	0	0	112.5	R342 R344 A349 E350	R342-E346 WeakPolarHBondContact O-CB 3.37Å; R342-E346 PolarHBondContact O-N 3.34Å; R344-E346 VanDerWaalsContact C-N 3.32Å; R344-E346 PolarHBondContact O-N 3.05Å; E346-A349 PolarHBondContact O-N 3.4Å; E346-E350 WeakPolarHBondContact O-CB 3.28Å; E346-E350 PolarHBondContact O-N 3.29Å
347	K	94.6	Very high	94.2	Very high	135 Å²	135	117.7 Å²	117.7	59%	0.587	53%	0.533	S	S	*	.	H	α-helix	trans	-64	-45.1	174.7	-74.4	178.4	179.4	-174.4	0	112.3	Q343 R344 A349 E350 E351	Q343-K347 WeakPolarHBondContact O-CB 3.3Å; Q343-K347 WeakPolarHBondContact O-CG 3.31Å; Q343-K347 PolarHBondContact O-N 2.86Å; R344-K347 PolarHBondContact O-N 3.35Å; K347-A349 VanDerWaalsContact C-N 3.32Å; K347-A349 PolarHBondContact O-N 2.86Å; K347-E350 PolarHBondContact O-N 3.49Å; K347-E351 WeakPolarHBondContact O-CB 3.45Å; K347-E351 WeakPolarHBondContact O-CG 3.38Å; K347-E351 PolarHBondContact O-N 3.12Å
348	E	95.2	Very high	93.8	Very high	121 Å²	121	118 Å²	118	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-60.8	-43.1	177	-174	174.4	-176.7	0	0	111.1	R344 E350 E352	R344-E348 WeakPolarHBondContact O-CB 3.46Å; R344-E348 PolarHBondContact O-N 2.85Å; E348-E350 PolarHBondContact O-N 3.17Å; E348-E352 WeakPolarHBondContact O-CB 3.24Å; E348-E352 PolarHBondContact O-N 2.89Å
349	A	95.9	Very high	93.5	Very high	48 Å²	48	115.6 Å²	115.6	40%	0.397	52%	0.519	S	S	.	.	H	α-helix	trans	-64.6	-37.9	175	0	0	0	0	0	113.1	K345 E346 K347 R353	K345-A349 VanDerWaalsContact O-CB 3.28Å; K345-A349 WeakPolarHBondContact O-CB 3.3Å; K345-A349 PolarHBondContact O-N 2.75Å; E346-A349 PolarHBondContact O-N 3.4Å; K347-A349 VanDerWaalsContact C-N 3.32Å; K347-A349 PolarHBondContact O-N 2.86Å; A349-R353 WeakPolarHBondContact O-CG 3.18Å; A349-R353 PolarHBondContact O-N 3.33Å; A349-R353 VanDerWaalsContact O-N 3.07Å
350	E	94.8	Very high	93.2	Very high	86 Å²	86	112.9 Å²	112.9	40%	0.402	51%	0.511	S	S	.	.	H	α-helix	trans	-72.2	-42.6	177.2	-175.1	57.7	-156.9	0	0	112.3	E346 K347 E348 E352 R353 V354	E346-E350 WeakPolarHBondContact O-CB 3.28Å; E346-E350 PolarHBondContact O-N 3.29Å; K347-E350 PolarHBondContact O-N 3.49Å; E348-E350 PolarHBondContact O-N 3.17Å; E350-E352 VanDerWaalsContact C-N 3.3Å; E350-E352 PolarHBondContact O-N 3.03Å; E350-R353 WeakPolarHBondContact O-CB 3.23Å; E350-R353 PolarHBondContact O-N 3Å; E350-R353 IonicContact OE2-NH1 2.96Å; E350-V354 WeakPolarHBondContact O-CG2 3.28Å; E350-V354 PolarHBondContact O-N 3.36Å
351	E	93.2	Very high	92.8	Very high	105 Å²	105	108.6 Å²	108.6	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-59.2	-43	174.2	-76.1	-178.3	-157.7	0	0	111.3	K347 V354 R355	K347-E351 WeakPolarHBondContact O-CB 3.45Å; K347-E351 WeakPolarHBondContact O-CG 3.38Å; K347-E351 PolarHBondContact O-N 3.12Å; E351-V354 PolarHBondContact O-N 2.95Å; E351-R355 WeakPolarHBondContact O-CB 3.46Å; E351-R355 VanDerWaalsContact O-CG 3.22Å; E351-R355 WeakPolarHBondContact O-CG 3.26Å; E351-R355 PolarHBondContact O-N 2.86Å; E351-R355 IonicContact OE2-NH2 3.48Å; E351-R355 PolarHBondContact OE2-NH2 2.94Å
352	E	94.2	Very high	92.4	Very high	104 Å²	104	109.7 Å²	109.7	49%	0.486	50%	0.497	S	S	.	.	H	α-helix	trans	-64.7	-40.3	176.7	-171	56.1	-152	0	0	111.7	E348 E350 V354 R355 Q356	E348-E352 WeakPolarHBondContact O-CB 3.24Å; E348-E352 PolarHBondContact O-N 2.89Å; E350-E352 VanDerWaalsContact C-N 3.3Å; E350-E352 PolarHBondContact O-N 3.03Å; E352-V354 PolarHBondContact O-N 3.11Å; E352-R355 PolarHBondContact O-N 3.38Å; E352-Q356 VanDerWaalsContact O-CB 3.32Å; E352-Q356 WeakPolarHBondContact O-CB 3.41Å; E352-Q356 PolarHBondContact O-N 3.11Å
353	R	93.7	Very high	92	Very high	157 Å²	157	108.5 Å²	108.5	59%	0.592	49%	0.493	S	S	*	.	H	α-helix	trans	-60.7	-44	173.2	-75.8	168.7	177.4	-175.5	0.1	112.3	A349 E350 Q356 R357	A349-R353 WeakPolarHBondContact O-CG 3.18Å; A349-R353 PolarHBondContact O-N 3.33Å; A349-R353 VanDerWaalsContact O-N 3.07Å; E350-R353 WeakPolarHBondContact O-CB 3.23Å; E350-R353 PolarHBondContact O-N 3Å; E350-R353 IonicContact OE2-NH1 2.96Å; R353-Q356 PolarHBondContact O-N 3.3Å; R353-R357 WeakPolarHBondContact O-CG 3.44Å; R353-R357 PolarHBondContact O-N 2.87Å
354	V	92	Very high	91.4	Very high	69 Å²	69	106.9 Å²	106.9	42%	0.418	48%	0.482	S	S	.	.	H	α-helix	trans	-66.5	-46	178.2	172.9	0	0	0	0	110.7	E350 E351 E352 Q356 R357 V358	E350-V354 WeakPolarHBondContact O-CG2 3.28Å; E350-V354 PolarHBondContact O-N 3.36Å; E351-V354 PolarHBondContact O-N 2.95Å; E352-V354 PolarHBondContact O-N 3.11Å; V354-Q356 VanDerWaalsContact C-N 3.31Å; V354-Q356 PolarHBondContact O-N 2.96Å; V354-R357 WeakPolarHBondContact O-CB 3.4Å; V354-R357 PolarHBondContact O-N 3.47Å; V354-V358 HydrophobicContact CG1-CG2 4.43Å; V354-V358 WeakPolarHBondContact O-CG2 3.46Å; V354-V358 PolarHBondContact O-N 2.9Å
355	R	92.7	Very high	90.9	Very high	141 Å²	141	100.1 Å²	100.1	53%	0.532	46%	0.459	S	S	.	.	H	α-helix	trans	-56.4	-46.6	175.6	-73.6	171.8	-169.1	-170.7	7.4	111.2	E351 E352 R357 V358 I359	E351-R355 WeakPolarHBondContact O-CB 3.46Å; E351-R355 VanDerWaalsContact O-CG 3.22Å; E351-R355 WeakPolarHBondContact O-CG 3.26Å; E351-R355 PolarHBondContact O-N 2.86Å; E351-R355 IonicContact OE2-NH2 3.48Å; E351-R355 PolarHBondContact OE2-NH2 2.94Å; E352-R355 PolarHBondContact O-N 3.38Å; R355-R357 VanDerWaalsContact C-N 3.34Å; R355-R357 PolarHBondContact O-N 3.02Å; R355-V358 PolarHBondContact O-N 3.42Å; R355-I359 WeakPolarHBondContact O-CG1 3.27Å; R355-I359 PolarHBondContact O-N 3.32Å
356	Q	91.3	Very high	90.5	Very high	106 Å²	106	100.9 Å²	100.9	50%	0.495	46%	0.462	S	S	.	.	H	α-helix	trans	-64.5	-37.8	179.1	-168.1	63.1	7.4	0	0	112.4	E352 R353 V354 N360	E352-Q356 VanDerWaalsContact O-CB 3.32Å; E352-Q356 WeakPolarHBondContact O-CB 3.41Å; E352-Q356 PolarHBondContact O-N 3.11Å; R353-Q356 PolarHBondContact O-N 3.3Å; V354-Q356 VanDerWaalsContact C-N 3.31Å; V354-Q356 PolarHBondContact O-N 2.96Å; Q356-N360 VanDerWaalsContact O-CB 3.29Å; Q356-N360 WeakPolarHBondContact O-CB 3.33Å; Q356-N360 PolarHBondContact O-N 3.39Å
357	R	88.3	Confident	89.9	Confident	168 Å²	168	100.5 Å²	100.5	63%	0.634	46%	0.456	S	S	*	.	H	α-helix	trans	-63.3	-44.5	172.9	-76.6	176.8	179.2	174.8	0.9	112.1	R353 V354 R355 N360 C361	R353-R357 WeakPolarHBondContact O-CG 3.44Å; R353-R357 PolarHBondContact O-N 2.87Å; V354-R357 WeakPolarHBondContact O-CB 3.4Å; V354-R357 PolarHBondContact O-N 3.47Å; R355-R357 VanDerWaalsContact C-N 3.34Å; R355-R357 PolarHBondContact O-N 3.02Å; R357-N360 PolarHBondContact O-N 3.19Å; R357-C361 WeakPolarHBondContact O-CB 3.5Å; R357-C361 PolarHBondContact O-N 3.21Å
358	V	87.3	Confident	89.4	Confident	69 Å²	69	94 Å²	94	42%	0.418	43%	0.428	S	S	.	.	H	α-helix	trans	-63.7	-46.7	178.7	172.4	0	0	0	0	111.1	V354 R355 N360 C361 Q362	V354-V358 HydrophobicContact CG1-CG2 4.43Å; V354-V358 WeakPolarHBondContact O-CG2 3.46Å; V354-V358 PolarHBondContact O-N 2.9Å; R355-V358 PolarHBondContact O-N 3.42Å; V358-N360 VanDerWaalsContact C-N 3.34Å; V358-N360 PolarHBondContact O-N 3.36Å; V358-C361 WeakPolarHBondContact O-CB 3.43Å; V358-C361 PolarHBondContact O-N 3.32Å; V358-Q362 HydrophobicContact CG1-CG 4.43Å; V358-Q362 WeakPolarHBondContact O-CG 3.22Å; V358-Q362 PolarHBondContact O-N 3.42Å
359	I	90.2	Very high	88.9	Confident	69 Å²	69	94.5 Å²	94.5	35%	0.354	43%	0.425	S	S	.	.	H	α-helix	trans	-60.2	-44.9	177.3	-69.1	169.1	0	0	0	110.8	R355 C361 Q362 R363	R355-I359 WeakPolarHBondContact O-CG1 3.27Å; R355-I359 PolarHBondContact O-N 3.32Å; I359-C361 VanDerWaalsContact C-N 3.32Å; I359-C361 PolarHBondContact O-N 2.82Å; I359-Q362 PolarHBondContact O-N 3.19Å; I359-R363 WeakPolarHBondContact O-CB 3.3Å; I359-R363 WeakPolarHBondContact O-CG 3.47Å; I359-R363 PolarHBondContact O-N 2.97Å
360	N	88.8	Confident	88.2	Confident	63 Å²	63	96.1 Å²	96.1	34%	0.337	42%	0.424	S	S	.	.	H	α-helix	trans	-62.6	-40.8	177	-169.4	1.3	0	0	0	111.4	Q356 R357 V358 R363 R364 L402	Q356-N360 VanDerWaalsContact O-CB 3.29Å; Q356-N360 WeakPolarHBondContact O-CB 3.33Å; Q356-N360 PolarHBondContact O-N 3.39Å; R357-N360 PolarHBondContact O-N 3.19Å; V358-N360 VanDerWaalsContact C-N 3.34Å; V358-N360 PolarHBondContact O-N 3.36Å; N360-R363 PolarHBondContact O-N 2.73Å; N360-R364 WeakPolarHBondContact O-CG 3.4Å; N360-R364 PolarHBondContact O-N 3.48Å; N360-R364 VanDerWaalsContact O-N 3.13Å; N360-R364 PolarHBondContact OD1-NE 3.1Å; N360-L402 HydrophobicContact CB-CD2 4.4Å
361	C	85.9	Confident	87.5	Confident	34 Å²	34	92.6 Å²	92.6	23%	0.23	41%	0.408	C	S	.	.	H	α-helix	trans	-61	-50.1	174.8	-171.5	0	0	0	0	112.8	R357 V358 I359 R363 R364 I365 L402	R357-C361 WeakPolarHBondContact O-CB 3.5Å; R357-C361 PolarHBondContact O-N 3.21Å; V358-C361 WeakPolarHBondContact O-CB 3.43Å; V358-C361 PolarHBondContact O-N 3.32Å; I359-C361 VanDerWaalsContact C-N 3.32Å; I359-C361 PolarHBondContact O-N 2.82Å; C361-R363 PolarHBondContact O-N 2.96Å; C361-R364 PolarHBondContact O-N 3.19Å; C361-I365 WeakPolarHBondContact O-CG1 3.38Å; C361-I365 PolarHBondContact O-N 3.05Å; C361-L402 VanDerWaalsContact CA-CD1 3.44Å; C361-L402 HydrophobicContact CB-CD1 3.89Å; C361-L402 HydrophobicContact CB-CD2 4.39Å
362	Q	86.2	Confident	86.8	Confident	122 Å²	122	87.6 Å²	87.6	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-60.9	-43.9	177.9	-73.1	177.5	-14.4	0	0	112.4	V358 I359 R364 I365 F366	V358-Q362 HydrophobicContact CG1-CG 4.43Å; V358-Q362 WeakPolarHBondContact O-CG 3.22Å; V358-Q362 PolarHBondContact O-N 3.42Å; I359-Q362 PolarHBondContact O-N 3.19Å; Q362-R364 VanDerWaalsContact C-N 3.29Å; Q362-R364 PolarHBondContact O-N 2.72Å; Q362-I365 PolarHBondContact O-N 2.91Å; Q362-F366 WeakPolarHBondContact O-CB 3.39Å; Q362-F366 PolarHBondContact O-N 3.32Å
363	R	87.4	Confident	86.2	Confident	164 Å²	164	84.1 Å²	84.1	62%	0.619	37%	0.373	S	S	*	.	H	α-helix	trans	-57.4	-42.9	176	-77	178.7	177	-173.5	-0.1	111.5	I359 N360 C361 F366 Y367	I359-R363 WeakPolarHBondContact O-CB 3.3Å; I359-R363 WeakPolarHBondContact O-CG 3.47Å; I359-R363 PolarHBondContact O-N 2.97Å; N360-R363 PolarHBondContact O-N 2.73Å; C361-R363 PolarHBondContact O-N 2.96Å; R363-F366 PolarHBondContact O-N 3.32Å; R363-Y367 WeakPolarHBondContact O-CD2 3.23Å; R363-Y367 PolarHBondContact O-N 3.42Å
364	R	82.7	Confident	85.3	Confident	66 Å²	66	83 Å²	83	25%	0.249	38%	0.379	C	S	.	.	H	α-helix	trans	-73.1	-36.6	-179.5	-69.3	-173.5	-170.2	-121.8	12.5	113.5	N360 C361 Q362 F366 Y367 L368 L402 Q406 N409	N360-R364 WeakPolarHBondContact O-CG 3.4Å; N360-R364 PolarHBondContact O-N 3.48Å; N360-R364 VanDerWaalsContact O-N 3.13Å; N360-R364 PolarHBondContact OD1-NE 3.1Å; C361-R364 PolarHBondContact O-N 3.19Å; Q362-R364 VanDerWaalsContact C-N 3.29Å; Q362-R364 PolarHBondContact O-N 2.72Å; R364-F366 VanDerWaalsContact C-N 3.32Å; R364-Y367 PolarHBondContact O-N 3.32Å; R364-L368 WeakPolarHBondContact O-CB 3.49Å; R364-L368 PolarHBondContact O-N 2.84Å; R364-L402 HydrophobicContact CB-CD1 4.19Å; R364-L402 HydrophobicContact CG-CD1 4.35Å; R364-Q406 VanDerWaalsContact NH1-CB 3.26Å; R364-Q406 VanDerWaalsContact NH2-CD 3.3Å; R364-Q406 VanDerWaalsContact NH2-NE2 3.11Å; R364-N409 PolarHBondContact O-ND2 3.48Å
365	I	85.1	Confident	84.5	Confident	31 Å²	31	85.6 Å²	85.6	16%	0.159	39%	0.386	C	S	.	.	H	α-helix	trans	-61.6	-44.1	171.3	-71.9	168.1	0	0	0	110.2	C361 Q362 L368 R369 C397 L405	C361-I365 WeakPolarHBondContact O-CG1 3.38Å; C361-I365 PolarHBondContact O-N 3.05Å; Q362-I365 PolarHBondContact O-N 2.91Å; I365-L368 PolarHBondContact O-N 2.65Å; I365-R369 WeakPolarHBondContact O-CG 3.23Å; I365-R369 PolarHBondContact O-N 2.98Å; I365-C397 WeakPolarHBondContact CD1-O 3.45Å; I365-C397 HydrophobicContact CG1-CB 4.38Å; I365-C397 HydrophobicContact CG2-CB 3.9Å; I365-L405 HydrophobicContact CD1-CD1 4.4Å; I365-L405 HydrophobicContact CG1-CD1 3.87Å
366	F	85.1	Confident	83.7	Confident	133 Å²	133	80.6 Å²	80.6	58%	0.583	37%	0.368	S	S	*	.	H	α-helix	trans	-59.2	-50.6	176.3	179.2	-91.6	0	0	0	111.5	Q362 R363 R364 L368 R369 Q370	Q362-F366 WeakPolarHBondContact O-CB 3.39Å; Q362-F366 PolarHBondContact O-N 3.32Å; R363-F366 PolarHBondContact O-N 3.32Å; R364-F366 VanDerWaalsContact C-N 3.32Å; F366-L368 VanDerWaalsContact C-N 3.32Å; F366-L368 PolarHBondContact O-N 3.08Å; F366-R369 PolarHBondContact O-N 3.04Å; F366-Q370 WeakPolarHBondContact O-CB 3.3Å; F366-Q370 PolarHBondContact O-N 2.84Å
367	Y	84.1	Confident	83.1	Confident	119 Å²	119	77 Å²	77	47%	0.467	36%	0.358	S	S	.	.	H	α-helix	trans	-58.2	-43	176.1	-79	-59.9	0	0	0	112.3	R363 R364 R369 Q370 M371	R363-Y367 WeakPolarHBondContact O-CD2 3.23Å; R363-Y367 PolarHBondContact O-N 3.42Å; R364-Y367 PolarHBondContact O-N 3.32Å; Y367-R369 PolarHBondContact O-N 3.05Å; Y367-Q370 PolarHBondContact O-N 3.48Å; Y367-M371 WeakPolarHBondContact O-CB 3.48Å; Y367-M371 WeakPolarHBondContact O-CG 3.35Å; Y367-M371 PolarHBondContact O-N 2.79Å
368	L	83.5	Confident	82.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-45	179.6	-179.8	54.6	0	0	0	112.1	R364 I365 F366 Q370 M371 I372 L393 L405 L408 N409 L412	R364-L368 WeakPolarHBondContact O-CB 3.49Å; R364-L368 PolarHBondContact O-N 2.84Å; I365-L368 PolarHBondContact O-N 2.65Å; F366-L368 VanDerWaalsContact C-N 3.32Å; F366-L368 PolarHBondContact O-N 3.08Å; L368-Q370 VanDerWaalsContact C-N 3.33Å; L368-Q370 PolarHBondContact O-N 3.01Å; L368-M371 PolarHBondContact O-N 3.16Å; L368-I372 HydrophobicContact CD1-CD1 3.57Å; L368-I372 HydrophobicContact CD1-CG1 4.18Å; L368-I372 HydrophobicContact CG-CD1 4.06Å; L368-I372 PolarHBondContact O-N 3.38Å; L368-I372 VanDerWaalsContact O-N 3.08Å; L368-L393 HydrophobicContact CD2-CD1 4.16Å; L368-L393 HydrophobicContact CG-CD1 4.02Å; L368-L405 HydrophobicContact CD2-CD2 3.78Å; L368-L408 HydrophobicContact CD1-CD2 3.24Å; L368-L408 HydrophobicContact CD2-CD2 3.92Å; L368-L408 HydrophobicContact CG-CD2 4.22Å; L368-N409 VanDerWaalsContact CA-OD1 3.31Å; L368-N409 WeakPolarHBondContact CA-OD1 3.33Å; L368-N409 WeakPolarHBondContact CB-OD1 3.36Å; L368-N409 WeakPolarHBondContact CD1-OD1 3.22Å; L368-L412 HydrophobicContact CD1-CD1 3.74Å
369	R	83.8	Confident	82.3	Confident	130 Å²	130	68 Å²	68	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-42.9	176.3	-74.3	179.7	174.5	-172.4	-2.3	111.5	I365 F366 Y367 A373 L393	I365-R369 WeakPolarHBondContact O-CG 3.23Å; I365-R369 PolarHBondContact O-N 2.98Å; F366-R369 PolarHBondContact O-N 3.04Å; Y367-R369 PolarHBondContact O-N 3.05Å; R369-A373 WeakPolarHBondContact O-CB 3.31Å; R369-A373 PolarHBondContact O-N 3.16Å; R369-L393 HydrophobicContact CG-CD2 4.28Å; R369-L393 HydrophobicContact CG-CG 4.49Å
370	Q	82.7	Confident	81.4	Confident	82 Å²	82	67.7 Å²	67.7	38%	0.383	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-49.3	177.2	-168.8	179.3	17	0	0	111.5	F366 Y367 L368 I372 A373 L374	F366-Q370 WeakPolarHBondContact O-CB 3.3Å; F366-Q370 PolarHBondContact O-N 2.84Å; Y367-Q370 PolarHBondContact O-N 3.48Å; L368-Q370 VanDerWaalsContact C-N 3.33Å; L368-Q370 PolarHBondContact O-N 3.01Å; Q370-I372 PolarHBondContact O-N 2.92Å; Q370-A373 PolarHBondContact O-N 2.85Å; Q370-L374 HydrophobicContact CG-CD1 3.63Å; Q370-L374 WeakPolarHBondContact O-CB 3.33Å; Q370-L374 PolarHBondContact O-N 3.12Å
371	M	78.9	Confident	80.5	Confident	13 Å²	13	69.2 Å²	69.2	6%	0.064	33%	0.334	C	S	.	.	I	π-helix	trans	-58.5	-47.5	179.4	-70	-71.1	-53.9	0	0	112.1	Y367 L368 E375 R376 R413	Y367-M371 WeakPolarHBondContact O-CB 3.48Å; Y367-M371 WeakPolarHBondContact O-CG 3.35Å; Y367-M371 PolarHBondContact O-N 2.79Å; L368-M371 PolarHBondContact O-N 3.16Å; M371-E375 WeakPolarHBondContact CE-OE2 3.17Å; M371-E375 WeakPolarHBondContact O-CB 3.43Å; M371-E375 PolarHBondContact O-N 2.82Å; M371-E375 VanDerWaalsContact SD-OE1 3.42Å; M371-R376 PolarHBondContact O-N 2.79Å; M371-R376 VanDerWaalsContact O-N 3.11Å; M371-R413 HydrophobicContact CE-CG 4.13Å
372	I	80	Confident	79.7	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.333	C	S	.	.	I	π-helix	trans	-72.7	-40.9	-177	-68.8	168.3	0	0	0	111.6	L368 Q370 R376 G377 Y378 F379 I389 L393 L412 F425	L368-I372 HydrophobicContact CD1-CD1 3.57Å; L368-I372 HydrophobicContact CD1-CG1 4.18Å; L368-I372 HydrophobicContact CG-CD1 4.06Å; L368-I372 PolarHBondContact O-N 3.38Å; L368-I372 VanDerWaalsContact O-N 3.08Å; Q370-I372 PolarHBondContact O-N 2.92Å; I372-R376 CarbonylContact O-C 3.25Å; I372-G377 PolarHBondContact O-N 3.16Å; I372-Y378 HydrophobicContact CG2-CD1 3.86Å; I372-Y378 HydrophobicContact CG2-CE1 4.31Å; I372-Y378 PolarHBondContact O-N 2.96Å; I372-F379 HydrophobicContact CG1-CZ 4.38Å; I372-F379 HydrophobicContact CG2-CE2 4.27Å; I372-I389 HydrophobicContact CG2-CG2 4.43Å; I372-L393 HydrophobicContact CB-CD2 4.1Å; I372-L393 HydrophobicContact CD1-CD1 3.54Å; I372-L393 HydrophobicContact CD1-CD2 4.25Å; I372-L393 HydrophobicContact CD1-CG 4.43Å; I372-L393 HydrophobicContact CG2-CD2 3.99Å; I372-L412 HydrophobicContact CD1-CD1 3.97Å; I372-L412 HydrophobicContact CG1-CD1 3.88Å; I372-F425 HydrophobicContact CD1-CD2 3.75Å; I372-F425 HydrophobicContact CD1-CE2 3.63Å
373	A	80	Confident	79	Confident	30 Å²	30	70.4 Å²	70.4	25%	0.248	35%	0.346	C	S	.	.	I	π-helix	trans	-75	-48.2	-176.5	0	0	0	0	0	112.8	R369 Q370 Y378	R369-A373 WeakPolarHBondContact O-CB 3.31Å; R369-A373 PolarHBondContact O-N 3.16Å; Q370-A373 PolarHBondContact O-N 2.85Å; A373-Y378 HydrophobicContact CB-CE1 4.2Å; A373-Y378 HydrophobicContact CB-CE2 3.87Å; A373-Y378 WeakPolarHBondContact CB-OH 3.44Å
374	L	75.8	Confident	78.3	Confident	134 Å²	134	65.8 Å²	65.8	70%	0.702	33%	0.33	S	S	*	.	I	π-helix	trans	-92.8	-45	-171.1	-75.5	150.7	0	0	0	112.9	Q370	Q370-L374 HydrophobicContact CG-CD1 3.63Å; Q370-L374 WeakPolarHBondContact O-CB 3.33Å; Q370-L374 PolarHBondContact O-N 3.12Å
375	E	74.2	Confident	78.2	Confident	124 Å²	124	67.5 Å²	67.5	58%	0.579	34%	0.344	S	S	*	.	I	π-helix	trans	-86.9	-35.3	-174.3	-59.3	-174.9	-174.7	0	0	112.7	M371	M371-E375 WeakPolarHBondContact CE-OE2 3.17Å; M371-E375 WeakPolarHBondContact O-CB 3.43Å; M371-E375 PolarHBondContact O-N 2.82Å; M371-E375 VanDerWaalsContact SD-OE1 3.42Å
376	R	76.4	Confident	77.8	Confident	36 Å²	36	70.1 Å²	70.1	14%	0.136	36%	0.356	C	S	.	.	S	Bend	trans	-104.9	-4.3	-177.4	-56.4	-60.4	-176	167.2	3.6	114.1	M371 I372 Y378 F379 L412 S415 T416	M371-R376 PolarHBondContact O-N 2.79Å; M371-R376 VanDerWaalsContact O-N 3.11Å; I372-R376 CarbonylContact O-C 3.25Å; R376-Y378 VanDerWaalsContact C-N 3.25Å; R376-Y378 PolarHBondContact O-N 3.35Å; R376-F379 HydrophobicContact CB-CD1 3.94Å; R376-F379 HydrophobicContact CB-CE1 3.63Å; R376-F379 HydrophobicContact CB-CZ 4.32Å; R376-F379 HydrophobicContact CG-CE1 3.91Å; R376-F379 WeakPolarHBondContact O-CA 3.32Å; R376-F379 PolarHBondContact O-N 3.32Å; R376-L412 PolarHBondContact NH2-O 2.99Å; R376-L412 VanDerWaalsContact NH2-O 3.11Å; R376-S415 PolarHBondContact NH2-O 3Å; R376-T416 PolarHBondContact NH1-O 3.29Å
377	G	78	Confident	77.7	Confident	29 Å²	29	70 Å²	70	30%	0.299	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	54	37.5	176.7	0	0	0	0	0	114.1	I372 F379 T380	I372-G377 PolarHBondContact O-N 3.16Å; G377-F379 PolarHBondContact O-N 3.23Å; G377-F379 VanDerWaalsContact O-N 3.13Å; G377-T380 WeakPolarHBondContact O-CG2 3.4Å; G377-T380 PolarHBondContact O-N 2.99Å; G377-T380 PolarHBondContact O-OG1 3.46Å
378	Y	80.3	Confident	77.7	Confident	49 Å²	49	67 Å²	67	19%	0.192	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	52.8	29.7	-172.5	-57.8	-81.1	0	0	0	113.9	I372 A373 R376 T380 Q386 I389 M390 L393	I372-Y378 HydrophobicContact CG2-CD1 3.86Å; I372-Y378 HydrophobicContact CG2-CE1 4.31Å; I372-Y378 PolarHBondContact O-N 2.96Å; A373-Y378 HydrophobicContact CB-CE1 4.2Å; A373-Y378 HydrophobicContact CB-CE2 3.87Å; A373-Y378 WeakPolarHBondContact CB-OH 3.44Å; R376-Y378 VanDerWaalsContact C-N 3.25Å; R376-Y378 PolarHBondContact O-N 3.35Å; Y378-T380 PolarHBondContact O-N 3.32Å; Y378-Q386 HydrophobicContact CD2-CG 4.24Å; Y378-Q386 HydrophobicContact CG-CG 4.18Å; Y378-I389 HydrophobicContact CD1-CG2 4.23Å; Y378-I389 WeakPolarHBondContact O-CD1 3.23Å; Y378-M390 HydrophobicContact CD1-CG 3.68Å; Y378-M390 HydrophobicContact CE1-CG 3.49Å; Y378-M390 VanDerWaalsContact CE1-CG 3.49Å; Y378-M390 HydrophobicContact CE1-SD 4.45Å; Y378-M390 HydrophobicContact CG-CG 4.29Å; Y378-L393 HydrophobicContact CE1-CD2 4.24Å
379	F	79.6	Confident	77.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	56.8	21.3	179.3	-44.4	-66.8	0	0	0	114.9	I372 R376 G377 S381 A382 F384 I389 L412 I418 A422 F425	I372-F379 HydrophobicContact CG1-CZ 4.38Å; I372-F379 HydrophobicContact CG2-CE2 4.27Å; R376-F379 HydrophobicContact CB-CD1 3.94Å; R376-F379 HydrophobicContact CB-CE1 3.63Å; R376-F379 HydrophobicContact CB-CZ 4.32Å; R376-F379 HydrophobicContact CG-CE1 3.91Å; R376-F379 WeakPolarHBondContact O-CA 3.32Å; R376-F379 PolarHBondContact O-N 3.32Å; G377-F379 PolarHBondContact O-N 3.23Å; G377-F379 VanDerWaalsContact O-N 3.13Å; F379-S381 PolarHBondContact O-N 2.98Å; F379-A382 PolarHBondContact O-N 2.91Å; F379-F384 HydrophobicContact CB-CD2 3.96Å; F379-I389 HydrophobicContact CB-CD1 4.05Å; F379-I389 HydrophobicContact CD2-CD1 3.92Å; F379-I389 HydrophobicContact CD2-CG2 4.09Å; F379-I389 HydrophobicContact CE2-CG2 4.4Å; F379-I389 HydrophobicContact CG-CD1 4.49Å; F379-L412 HydrophobicContact CZ-CD2 4.24Å; F379-I418 HydrophobicContact CB-CG2 4.41Å; F379-I418 HydrophobicContact CD1-CG2 4.02Å; F379-A422 HydrophobicContact CB-CB 3.9Å; F379-A422 HydrophobicContact CD1-CB 3.83Å; F379-A422 HydrophobicContact CD2-CB 4.06Å; F379-A422 HydrophobicContact CE1-CB 4.38Å; F379-A422 HydrophobicContact CG-CB 3.66Å; F379-F425 HydrophobicContact CE2-CB 3.9Å; F379-F425 HydrophobicContact CE2-CD1 4.16Å; F379-F425 HydrophobicContact CE2-CD2 4.41Å; F379-F425 AromaticContact CE2-CG 3.9Å; F379-F425 HydrophobicContact CE2-CG 3.9Å; F379-F425 HydrophobicContact CZ-CB 4.16Å
380	T	71.3	Confident	77.7	Confident	62 Å²	62	65.2 Å²	65.2	38%	0.38	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-57.7	-33.7	-178.1	50.1	0	0	0	0	112.7	G377 Y378 A382 N383 Q386	G377-T380 WeakPolarHBondContact O-CG2 3.4Å; G377-T380 PolarHBondContact O-N 2.99Å; G377-T380 PolarHBondContact O-OG1 3.46Å; Y378-T380 PolarHBondContact O-N 3.32Å; T380-A382 PolarHBondContact O-N 2.81Å; T380-N383 PolarHBondContact O-N 3.41Å; T380-Q386 HydrophobicContact CG2-CB 3.96Å; T380-Q386 HydrophobicContact CG2-CG 4.25Å
381	S	68.7	Low	77.8	Confident	95 Å²	95	64.6 Å²	64.6	66%	0.664	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-61.4	-14.7	175.6	-50.1	0	0	0	0	114.6	F379	F379-S381 PolarHBondContact O-N 2.98Å
382	A	69.3	Low	78.3	Confident	25 Å²	25	64.7 Å²	64.7	21%	0.207	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-106.7	22.4	179.8	0	0	0	0	0	113.2	F379 T380 F384 I418	F379-A382 PolarHBondContact O-N 2.91Å; T380-A382 PolarHBondContact O-N 2.81Å; A382-F384 VanDerWaalsContact C-N 3.31Å; A382-F384 HydrophobicContact CB-CD2 3.7Å; A382-F384 HydrophobicContact CB-CE2 3.48Å; A382-F384 VanDerWaalsContact CB-CE2 3.48Å; A382-F384 WeakPolarHBondContact O-CE2 3.46Å; A382-F384 PolarHBondContact O-N 3.25Å; A382-I418 HydrophobicContact CB-CG2 4.41Å
383	N	72.8	Confident	78.6	Confident	157 Å²	157	65.1 Å²	65.1	84%	0.84	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	27.6	179.2	-58.4	-31.6	0	0	0	114.9	T380	T380-N383 PolarHBondContact O-N 3.41Å
384	F	72.3	Confident	78.9	Confident	67 Å²	67	64.9 Å²	64.9	29%	0.294	36%	0.364	S	S	.	.			trans	-90.4	144.7	173.4	-63.9	-64	0	0	0	112.2	F379 A382 Q386 I389 A422 R426	F379-F384 HydrophobicContact CB-CD2 3.96Å; A382-F384 VanDerWaalsContact C-N 3.31Å; A382-F384 HydrophobicContact CB-CD2 3.7Å; A382-F384 HydrophobicContact CB-CE2 3.48Å; A382-F384 VanDerWaalsContact CB-CE2 3.48Å; A382-F384 WeakPolarHBondContact O-CE2 3.46Å; A382-F384 PolarHBondContact O-N 3.25Å; F384-Q386 PolarHBondContact O-N 3.36Å; F384-I389 HydrophobicContact CB-CD1 3.26Å; F384-I389 HydrophobicContact CB-CG1 4.36Å; F384-I389 HydrophobicContact CG-CD1 4.05Å; F384-A422 HydrophobicContact CD2-CB 3.91Å; F384-A422 HydrophobicContact CE2-CB 3.6Å; F384-A422 HydrophobicContact CZ-CB 4.47Å; F384-R426 VanDerWaalsContact CE1-NH2 3.34Å
385	D	79.5	Confident	79.5	Confident	102 Å²	102	62.2 Å²	62.2	55%	0.545	34%	0.344	S	S	.	.			trans	-66.8	116.4	172.8	175.9	25	0	0	0	110.3	L387 S388 I389	D385-L387 VanDerWaalsContact C-N 3.28Å; D385-L387 PolarHBondContact O-N 2.76Å; D385-L387 PolarHBondContact OD1-N 3.47Å; D385-L387 VanDerWaalsContact OD1-N 3.08Å; D385-S388 PolarHBondContact O-N 3.43Å; D385-S388 WeakPolarHBondContact OD2-CB 3.16Å; D385-S388 PolarHBondContact OD2-N 2.85Å; D385-S388 VanDerWaalsContact OD2-N 3.15Å; D385-I389 PolarHBondContact O-N 2.75Å; D385-I389 VanDerWaalsContact O-N 3.1Å
386	Q	78.3	Confident	80.1	Confident	86 Å²	86	56.4 Å²	56.4	40%	0.402	32%	0.317	S	S	.	.	H	α-helix	trans	-58.7	-40.2	178.8	-176.7	175.7	-6.5	0	0	111.6	Y378 T380 F384 I389 M390	Y378-Q386 HydrophobicContact CD2-CG 4.24Å; Y378-Q386 HydrophobicContact CG-CG 4.18Å; T380-Q386 HydrophobicContact CG2-CB 3.96Å; T380-Q386 HydrophobicContact CG2-CG 4.25Å; F384-Q386 PolarHBondContact O-N 3.36Å; Q386-I389 PolarHBondContact O-N 3.43Å; Q386-M390 HydrophobicContact CG-CG 4.43Å; Q386-M390 HydrophobicContact CG-SD 4.1Å; Q386-M390 WeakPolarHBondContact O-CB 3.3Å; Q386-M390 VanDerWaalsContact O-CG 3.26Å; Q386-M390 WeakPolarHBondContact O-CG 3.18Å; Q386-M390 PolarHBondContact O-N 2.81Å
387	L	82.8	Confident	80.5	Confident	131 Å²	131	55 Å²	55	69%	0.686	31%	0.313	S	S	*	.	H	α-helix	trans	-66.7	-43.7	-178.6	-112.5	79.3	0	0	0	111.3	D385 I389 M390 S391	D385-L387 VanDerWaalsContact C-N 3.28Å; D385-L387 PolarHBondContact O-N 2.76Å; D385-L387 PolarHBondContact OD1-N 3.47Å; D385-L387 VanDerWaalsContact OD1-N 3.08Å; L387-I389 PolarHBondContact O-N 2.73Å; L387-M390 PolarHBondContact O-N 3.37Å; L387-S391 PolarHBondContact O-N 3.44Å
388	S	84.2	Confident	80.8	Confident	56 Å²	56	58 Å²	58	39%	0.392	33%	0.33	S	S	.	.	H	α-helix	trans	-56.1	-49.1	173.4	-171.5	0	0	0	0	111.3	D385 M390 S391 D392	D385-S388 PolarHBondContact O-N 3.43Å; D385-S388 WeakPolarHBondContact OD2-CB 3.16Å; D385-S388 PolarHBondContact OD2-N 2.85Å; D385-S388 VanDerWaalsContact OD2-N 3.15Å; S388-M390 PolarHBondContact O-N 3.46Å; S388-S391 WeakPolarHBondContact O-CB 3.41Å; S388-S391 PolarHBondContact O-N 3.36Å; S388-D392 WeakPolarHBondContact O-CB 3.05Å; S388-D392 PolarHBondContact O-N 2.98Å
389	I	84.1	Confident	81	Confident	6 Å²	6	59.7 Å²	59.7	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-66.2	-38.2	-178.5	-68.6	167.2	0	0	0	111.7	I372 Y378 F379 F384 D385 Q386 L387 S391 D392 L393 F425	I372-I389 HydrophobicContact CG2-CG2 4.43Å; Y378-I389 HydrophobicContact CD1-CG2 4.23Å; Y378-I389 WeakPolarHBondContact O-CD1 3.23Å; F379-I389 HydrophobicContact CB-CD1 4.05Å; F379-I389 HydrophobicContact CD2-CD1 3.92Å; F379-I389 HydrophobicContact CD2-CG2 4.09Å; F379-I389 HydrophobicContact CE2-CG2 4.4Å; F379-I389 HydrophobicContact CG-CD1 4.49Å; F384-I389 HydrophobicContact CB-CD1 3.26Å; F384-I389 HydrophobicContact CB-CG1 4.36Å; F384-I389 HydrophobicContact CG-CD1 4.05Å; D385-I389 PolarHBondContact O-N 2.75Å; D385-I389 VanDerWaalsContact O-N 3.1Å; Q386-I389 PolarHBondContact O-N 3.43Å; L387-I389 PolarHBondContact O-N 2.73Å; I389-S391 VanDerWaalsContact C-N 3.35Å; I389-D392 PolarHBondContact O-N 3.22Å; I389-L393 VanDerWaalsContact O-CB 3.24Å; I389-L393 WeakPolarHBondContact O-CB 3.25Å; I389-L393 PolarHBondContact O-N 3.13Å; I389-F425 HydrophobicContact CG2-CE1 4Å; I389-F425 HydrophobicContact CG2-CZ 4.28Å
390	M	83	Confident	81.2	Confident	85 Å²	85	60.5 Å²	60.5	42%	0.419	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-43.2	175.3	-75.6	-179.7	70.7	0	0	111.8	Y378 Q386 L387 S388 G394	Y378-M390 HydrophobicContact CD1-CG 3.68Å; Y378-M390 HydrophobicContact CE1-CG 3.49Å; Y378-M390 VanDerWaalsContact CE1-CG 3.49Å; Y378-M390 HydrophobicContact CE1-SD 4.45Å; Y378-M390 HydrophobicContact CG-CG 4.29Å; Q386-M390 HydrophobicContact CG-CG 4.43Å; Q386-M390 HydrophobicContact CG-SD 4.1Å; Q386-M390 WeakPolarHBondContact O-CB 3.3Å; Q386-M390 VanDerWaalsContact O-CG 3.26Å; Q386-M390 WeakPolarHBondContact O-CG 3.18Å; Q386-M390 PolarHBondContact O-N 2.81Å; L387-M390 PolarHBondContact O-N 3.37Å; S388-M390 PolarHBondContact O-N 3.46Å; M390-G394 PolarHBondContact O-N 2.97Å
391	S	85.1	Confident	81.8	Confident	69 Å²	69	60.3 Å²	60.3	48%	0.483	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-49.3	175	-172.8	0	0	0	0	110.8	L387 S388 I389 L393 G394 R395	L387-S391 PolarHBondContact O-N 3.44Å; S388-S391 WeakPolarHBondContact O-CB 3.41Å; S388-S391 PolarHBondContact O-N 3.36Å; I389-S391 VanDerWaalsContact C-N 3.35Å; S391-L393 VanDerWaalsContact C-N 3.33Å; S391-L393 PolarHBondContact O-N 2.9Å; S391-G394 CarbonylContact O-C 3.35Å; S391-G394 WeakPolarHBondContact O-CA 3.42Å; S391-G394 PolarHBondContact O-N 2.87Å; S391-R395 WeakPolarHBondContact O-CG 3.36Å; S391-R395 PolarHBondContact O-N 3.21Å
392	D	87.7	Confident	82.3	Confident	16 Å²	16	56.9 Å²	56.9	9%	0.086	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-40.4	179.2	-67.4	-12.9	0	0	0	112.7	S388 I389 G394 R395 L396 F425 V429	S388-D392 WeakPolarHBondContact O-CB 3.05Å; S388-D392 PolarHBondContact O-N 2.98Å; I389-D392 PolarHBondContact O-N 3.22Å; D392-G394 VanDerWaalsContact C-N 3.33Å; D392-R395 PolarHBondContact O-N 3.25Å; D392-R395 IonicContact OD1-CZ 3.36Å; D392-R395 IonicContact OD1-NE 3.34Å; D392-R395 PolarHBondContact OD1-NE 3.16Å; D392-R395 IonicContact OD1-NH2 2.64Å; D392-R395 PolarHBondContact OD1-NH2 3.3Å; D392-L396 WeakPolarHBondContact O-CB 3.27Å; D392-L396 WeakPolarHBondContact O-CG 3.01Å; D392-L396 PolarHBondContact O-N 2.88Å; D392-F425 HydrophobicContact CB-CE1 3.83Å; D392-F425 HydrophobicContact CB-CZ 3.9Å; D392-V429 HydrophobicContact CB-CG1 4.25Å; D392-V429 HydrophobicContact CB-CG2 3.76Å
393	L	86.8	Confident	83	Confident	8 Å²	8	61.7 Å²	61.7	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-42.4	174.6	176	57.9	0	0	0	110.7	L368 R369 I372 Y378 I389 S391 L396 C397 F425	L368-L393 HydrophobicContact CD2-CD1 4.16Å; L368-L393 HydrophobicContact CG-CD1 4.02Å; R369-L393 HydrophobicContact CG-CD2 4.28Å; R369-L393 HydrophobicContact CG-CG 4.49Å; I372-L393 HydrophobicContact CB-CD2 4.1Å; I372-L393 HydrophobicContact CD1-CD1 3.54Å; I372-L393 HydrophobicContact CD1-CD2 4.25Å; I372-L393 HydrophobicContact CD1-CG 4.43Å; I372-L393 HydrophobicContact CG2-CD2 3.99Å; Y378-L393 HydrophobicContact CE1-CD2 4.24Å; I389-L393 VanDerWaalsContact O-CB 3.24Å; I389-L393 WeakPolarHBondContact O-CB 3.25Å; I389-L393 PolarHBondContact O-N 3.13Å; S391-L393 VanDerWaalsContact C-N 3.33Å; S391-L393 PolarHBondContact O-N 2.9Å; L393-L396 PolarHBondContact O-N 3.45Å; L393-C397 VanDerWaalsContact O-CB 3.31Å; L393-C397 WeakPolarHBondContact O-CB 3.5Å; L393-C397 PolarHBondContact O-N 2.94Å; L393-C397 PolarHBondContact O-SG 3.47Å; L393-F425 HydrophobicContact CB-CE2 4.34Å; L393-F425 HydrophobicContact CB-CZ 4.06Å; L393-F425 HydrophobicContact CD1-CE2 4.24Å
394	G	85.9	Confident	83.6	Confident	25 Å²	25	57 Å²	57	26%	0.258	31%	0.309	S	S	.	.	H	α-helix	trans	-55.9	-50.4	171.6	0	0	0	0	0	111.6	M390 S391 D392 C397 S398	M390-G394 PolarHBondContact O-N 2.97Å; S391-G394 CarbonylContact O-C 3.35Å; S391-G394 WeakPolarHBondContact O-CA 3.42Å; S391-G394 PolarHBondContact O-N 2.87Å; D392-G394 VanDerWaalsContact C-N 3.33Å; G394-C397 PolarHBondContact O-N 3.18Å; G394-S398 WeakPolarHBondContact O-CB 3.3Å; G394-S398 PolarHBondContact O-N 3.16Å; G394-S398 PolarHBondContact O-OG 2.79Å
395	R	89.2	Confident	84.1	Confident	79 Å²	79	53.9 Å²	53.9	30%	0.298	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-48.3	178.7	-65.7	-168.8	-66.8	152.9	0.6	111.7	S391 D392 S398 L399 D433	S391-R395 WeakPolarHBondContact O-CG 3.36Å; S391-R395 PolarHBondContact O-N 3.21Å; D392-R395 PolarHBondContact O-N 3.25Å; D392-R395 IonicContact OD1-CZ 3.36Å; D392-R395 IonicContact OD1-NE 3.34Å; D392-R395 PolarHBondContact OD1-NE 3.16Å; D392-R395 IonicContact OD1-NH2 2.64Å; D392-R395 PolarHBondContact OD1-NH2 3.3Å; R395-S398 PolarHBondContact O-N 2.71Å; R395-L399 WeakPolarHBondContact O-CB 3.46Å; R395-L399 WeakPolarHBondContact O-CG 3.46Å; R395-L399 PolarHBondContact O-N 3.36Å; R395-D433 IonicContact CZ-OD1 3.64Å; R395-D433 IonicContact NH1-OD1 2.76Å; R395-D433 PolarHBondContact NH1-OD1 2.91Å; R395-D433 IonicContact NH1-OD2 3.78Å; R395-D433 IonicContact NH2-OD1 3.78Å; R395-D433 IonicContact NH2-OD2 3.51Å
396	L	87	Confident	84.2	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-48.9	177.8	-76.3	169.8	0	0	0	111.6	D392 L393 S398 M400 L408 F425 F428 V429 L432	D392-L396 WeakPolarHBondContact O-CB 3.27Å; D392-L396 WeakPolarHBondContact O-CG 3.01Å; D392-L396 PolarHBondContact O-N 2.88Å; L393-L396 PolarHBondContact O-N 3.45Å; L396-S398 VanDerWaalsContact C-N 3.28Å; L396-S398 PolarHBondContact O-N 3.49Å; L396-M400 HydrophobicContact CB-CG 4.28Å; L396-M400 HydrophobicContact CD2-CG 3.52Å; L396-M400 HydrophobicContact CD2-SD 4.09Å; L396-M400 WeakPolarHBondContact O-CB 3.41Å; L396-M400 VanDerWaalsContact O-CG 3.31Å; L396-M400 WeakPolarHBondContact O-CG 2.78Å; L396-M400 PolarHBondContact O-N 2.92Å; L396-L408 HydrophobicContact CD1-CD1 3.96Å; L396-F425 HydrophobicContact CD1-CD2 3.99Å; L396-F425 HydrophobicContact CD1-CE1 4.46Å; L396-F425 HydrophobicContact CD1-CE2 3.39Å; L396-F425 HydrophobicContact CD1-CZ 3.68Å; L396-F428 HydrophobicContact CD1-CB 4.44Å; L396-F428 HydrophobicContact CD2-CB 4.03Å; L396-V429 HydrophobicContact CD1-CG2 3.59Å; L396-V429 HydrophobicContact CG-CG2 4.22Å; L396-L432 HydrophobicContact CD2-CB 4.12Å; L396-L432 HydrophobicContact CD2-CD1 3.73Å; L396-L432 HydrophobicContact CG-CD1 4.22Å
397	C	83.9	Confident	84.6	Confident	7 Å²	7	51.6 Å²	51.6	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-33.9	178.6	-71.9	0	0	0	0	113	I365 L393 G394	I365-C397 WeakPolarHBondContact CD1-O 3.45Å; I365-C397 HydrophobicContact CG1-CB 4.38Å; I365-C397 HydrophobicContact CG2-CB 3.9Å; L393-C397 VanDerWaalsContact O-CB 3.31Å; L393-C397 WeakPolarHBondContact O-CB 3.5Å; L393-C397 PolarHBondContact O-N 2.94Å; L393-C397 PolarHBondContact O-SG 3.47Å; G394-C397 PolarHBondContact O-N 3.18Å
398	S	84.5	Confident	84.7	Confident	93 Å²	93	45.4 Å²	45.4	65%	0.65	25%	0.249	S	C	*	.	H	α-helix	trans	-82.9	-32.2	-178.1	-72.2	0	0	0	0	113.6	G394 R395 L396	G394-S398 WeakPolarHBondContact O-CB 3.3Å; G394-S398 PolarHBondContact O-N 3.16Å; G394-S398 PolarHBondContact O-OG 2.79Å; R395-S398 PolarHBondContact O-N 2.71Å; L396-S398 VanDerWaalsContact C-N 3.28Å; L396-S398 PolarHBondContact O-N 3.49Å
399	L	85.4	Confident	84.6	Confident	84 Å²	84	43.2 Å²	43.2	44%	0.44	23%	0.233	S	C	.	.	H	α-helix	trans	-116.6	-13.5	-167	-57.9	174.5	0	0	0	114.3	R395 L432 R435 L436	R395-L399 WeakPolarHBondContact O-CB 3.46Å; R395-L399 WeakPolarHBondContact O-CG 3.46Å; R395-L399 PolarHBondContact O-N 3.36Å; L399-L432 HydrophobicContact CB-CD1 4.02Å; L399-L432 HydrophobicContact CD1-CD2 4.46Å; L399-R435 PolarHBondContact O-NH2 3.39Å; L399-L436 HydrophobicContact CD1-CD1 4.09Å; L399-L436 HydrophobicContact CD1-CD2 4.44Å
400	M	83.1	Confident	84.7	Confident	17 Å²	17	47.6 Å²	47.6	8%	0.084	26%	0.257	C	S	.	.	S	Bend	trans	-83.6	142.6	179.2	-68.3	-62.9	-72.6	0	0	112.6	L396 K404 L405 F428 L432	L396-M400 HydrophobicContact CB-CG 4.28Å; L396-M400 HydrophobicContact CD2-CG 3.52Å; L396-M400 HydrophobicContact CD2-SD 4.09Å; L396-M400 WeakPolarHBondContact O-CB 3.41Å; L396-M400 VanDerWaalsContact O-CG 3.31Å; L396-M400 WeakPolarHBondContact O-CG 2.78Å; L396-M400 PolarHBondContact O-N 2.92Å; M400-K404 HydrophobicContact CE-CB 3.34Å; M400-K404 HydrophobicContact CE-CD 4.26Å; M400-K404 HydrophobicContact CE-CG 3.75Å; M400-L405 HydrophobicContact CB-CD1 4.41Å; M400-L405 HydrophobicContact CB-CD2 3.83Å; M400-L405 HydrophobicContact CB-CG 3.79Å; M400-L405 HydrophobicContact CG-CD2 4.45Å; M400-F428 HydrophobicContact CE-CD1 4.26Å; M400-L432 HydrophobicContact CG-CD1 3.89Å; M400-L432 HydrophobicContact SD-CB 4.01Å; M400-L432 HydrophobicContact SD-CD1 3.9Å; M400-L432 HydrophobicContact SD-CG 4.27Å
401	P	83.3	Confident	84.9	Confident	58 Å²	58	45.7 Å²	45.7	38%	0.377	25%	0.25	S	S	.	.			trans	-65.3	153.3	171.1	28.1	-33.4	0	0	0	111	E403 K404 L405	P401-E403 PolarHBondContact O-N 3.14Å; P401-K404 HydrophobicContact CG-CB 4.05Å; P401-K404 HydrophobicContact CG-CG 3.82Å; P401-K404 PolarHBondContact O-N 3.47Å; P401-K404 VanDerWaalsContact O-N 3.16Å; P401-L405 PolarHBondContact O-N 3.15Å; P401-L405 VanDerWaalsContact O-N 3.14Å
402	L	80.6	Confident	84.8	Confident	23 Å²	23	42.5 Å²	42.5	12%	0.12	23%	0.228	C	C	.	.	H	α-helix	trans	-54.1	-41.6	-174.2	-179.7	56.3	0	0	0	111.9	N360 C361 R364 L405 Q406	N360-L402 HydrophobicContact CB-CD2 4.4Å; C361-L402 VanDerWaalsContact CA-CD1 3.44Å; C361-L402 HydrophobicContact CB-CD1 3.89Å; C361-L402 HydrophobicContact CB-CD2 4.39Å; R364-L402 HydrophobicContact CB-CD1 4.19Å; R364-L402 HydrophobicContact CG-CD1 4.35Å; L402-L405 PolarHBondContact O-N 3.16Å; L402-Q406 WeakPolarHBondContact O-CG 3.34Å; L402-Q406 PolarHBondContact O-N 3.34Å; L402-Q406 VanDerWaalsContact O-N 3.09Å
403	E	83.9	Confident	84.4	Confident	126 Å²	126	49 Å²	49	59%	0.589	25%	0.251	S	S	*	.	H	α-helix	trans	-59.9	-45.8	-177.4	-63.2	68.9	-147	0	0	111.4	P401 Q406 E407	P401-E403 PolarHBondContact O-N 3.14Å; E403-Q406 VanDerWaalsContact O-CB 3.28Å; E403-Q406 WeakPolarHBondContact O-CB 3.36Å; E403-Q406 WeakPolarHBondContact O-CG 3.06Å; E403-Q406 PolarHBondContact O-N 3.24Å; E403-Q406 VanDerWaalsContact O-N 3.14Å; E403-E407 PolarHBondContact O-N 2.71Å; E403-E407 VanDerWaalsContact O-N 3.1Å
404	K	85.6	Confident	84.3	Confident	58 Å²	58	52.7 Å²	52.7	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-71.5	-35.9	178.7	-72.4	-74.5	-176.6	166.2	0	112.5	M400 P401 Q406 E407 L408 F428 E431	M400-K404 HydrophobicContact CE-CB 3.34Å; M400-K404 HydrophobicContact CE-CD 4.26Å; M400-K404 HydrophobicContact CE-CG 3.75Å; P401-K404 HydrophobicContact CG-CB 4.05Å; P401-K404 HydrophobicContact CG-CG 3.82Å; P401-K404 PolarHBondContact O-N 3.47Å; P401-K404 VanDerWaalsContact O-N 3.16Å; K404-Q406 PolarHBondContact O-N 3.05Å; K404-E407 WeakPolarHBondContact CD-OE2 3.48Å; K404-E407 IonicContact NZ-OE2 3.11Å; K404-E407 PolarHBondContact NZ-OE2 3.47Å; K404-E407 WeakPolarHBondContact O-CB 3.37Å; K404-E407 PolarHBondContact O-N 3.18Å; K404-L408 WeakPolarHBondContact O-CB 3.05Å; K404-L408 PolarHBondContact O-N 3.13Å; K404-F428 HydrophobicContact CD-CE1 4.21Å; K404-E431 WeakPolarHBondContact CE-OE1 3.35Å; K404-E431 IonicContact NZ-OE1 3.81Å; K404-E431 PolarHBondContact NZ-OE1 3.39Å; K404-E431 IonicContact NZ-OE2 2.72Å; K404-E431 PolarHBondContact NZ-OE2 2.89Å
405	L	82.2	Confident	84	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-27.3	170.7	-68.9	174.6	0	0	0	111.9	I365 L368 M400 P401 L402 N409	I365-L405 HydrophobicContact CD1-CD1 4.4Å; I365-L405 HydrophobicContact CG1-CD1 3.87Å; L368-L405 HydrophobicContact CD2-CD2 3.78Å; M400-L405 HydrophobicContact CB-CD1 4.41Å; M400-L405 HydrophobicContact CB-CD2 3.83Å; M400-L405 HydrophobicContact CB-CG 3.79Å; M400-L405 HydrophobicContact CG-CD2 4.45Å; P401-L405 PolarHBondContact O-N 3.15Å; P401-L405 VanDerWaalsContact O-N 3.14Å; L402-L405 PolarHBondContact O-N 3.16Å; L405-N409 WeakPolarHBondContact O-CB 3.17Å; L405-N409 PolarHBondContact O-N 2.97Å; L405-N409 VanDerWaalsContact O-N 3.07Å; L405-N409 PolarHBondContact O-ND2 3.13Å
406	Q	81.1	Confident	83.4	Confident	50 Å²	50	54.9 Å²	54.9	23%	0.234	30%	0.3	C	S	.	.	H	α-helix	trans	-71.6	-46.9	171.5	-36	-167.5	-2.7	0	0	111.2	R364 L402 E403 K404 L408 N409 N410	R364-Q406 VanDerWaalsContact NH1-CB 3.26Å; R364-Q406 VanDerWaalsContact NH2-CD 3.3Å; R364-Q406 VanDerWaalsContact NH2-NE2 3.11Å; L402-Q406 WeakPolarHBondContact O-CG 3.34Å; L402-Q406 PolarHBondContact O-N 3.34Å; L402-Q406 VanDerWaalsContact O-N 3.09Å; E403-Q406 VanDerWaalsContact O-CB 3.28Å; E403-Q406 WeakPolarHBondContact O-CB 3.36Å; E403-Q406 WeakPolarHBondContact O-CG 3.06Å; E403-Q406 PolarHBondContact O-N 3.24Å; E403-Q406 VanDerWaalsContact O-N 3.14Å; K404-Q406 PolarHBondContact O-N 3.05Å; Q406-L408 VanDerWaalsContact C-N 3.26Å; Q406-L408 PolarHBondContact O-N 3.48Å; Q406-N409 PolarHBondContact O-N 3.39Å; Q406-N410 WeakPolarHBondContact O-CB 3.39Å; Q406-N410 PolarHBondContact O-N 3.48Å; Q406-N410 PolarHBondContact O-ND2 3.03Å
407	E	86.7	Confident	83.1	Confident	90 Å²	90	58.4 Å²	58.4	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-57.4	-43.3	178.1	-164.1	-175.8	174	0	0	110.7	E403 K404 N410 T411 F428	E403-E407 PolarHBondContact O-N 2.71Å; E403-E407 VanDerWaalsContact O-N 3.1Å; K404-E407 WeakPolarHBondContact CD-OE2 3.48Å; K404-E407 IonicContact NZ-OE2 3.11Å; K404-E407 PolarHBondContact NZ-OE2 3.47Å; K404-E407 WeakPolarHBondContact O-CB 3.37Å; K404-E407 PolarHBondContact O-N 3.18Å; E407-N410 PolarHBondContact O-N 2.91Å; E407-T411 WeakPolarHBondContact O-CB 3.38Å; E407-T411 VanDerWaalsContact O-CG2 3.27Å; E407-T411 WeakPolarHBondContact O-CG2 3.44Å; E407-T411 PolarHBondContact O-N 3.3Å; E407-T411 PolarHBondContact O-OG1 2.88Å; E407-F428 HydrophobicContact CB-CE1 4.27Å; E407-F428 HydrophobicContact CB-CZ 3.95Å; E407-F428 HydrophobicContact CG-CZ 3.91Å
408	L	85.4	Confident	82.9	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-49.8	174.5	-167.8	165.2	0	0	0	111.5	L368 L396 K404 Q406 N410 T411 L412 F425 F428	L368-L408 HydrophobicContact CD1-CD2 3.24Å; L368-L408 HydrophobicContact CD2-CD2 3.92Å; L368-L408 HydrophobicContact CG-CD2 4.22Å; L396-L408 HydrophobicContact CD1-CD1 3.96Å; K404-L408 WeakPolarHBondContact O-CB 3.05Å; K404-L408 PolarHBondContact O-N 3.13Å; Q406-L408 VanDerWaalsContact C-N 3.26Å; Q406-L408 PolarHBondContact O-N 3.48Å; L408-N410 VanDerWaalsContact C-N 3.28Å; L408-N410 PolarHBondContact O-N 3.46Å; L408-T411 WeakPolarHBondContact CA-OG1 3.44Å; L408-T411 PolarHBondContact O-N 3.29Å; L408-T411 PolarHBondContact O-OG1 3.44Å; L408-L412 HydrophobicContact CD2-CD1 3.35Å; L408-L412 HydrophobicContact CD2-CG 3.84Å; L408-L412 WeakPolarHBondContact O-CB 3.09Å; L408-L412 WeakPolarHBondContact O-CG 3.28Å; L408-L412 PolarHBondContact O-N 3.38Å; L408-F425 HydrophobicContact CD1-CD2 4.46Å; L408-F428 HydrophobicContact CB-CD1 4.19Å; L408-F428 HydrophobicContact CB-CD2 3.88Å; L408-F428 HydrophobicContact CB-CE1 4.05Å; L408-F428 HydrophobicContact CB-CE2 3.76Å; L408-F428 HydrophobicContact CB-CG 4.11Å; L408-F428 HydrophobicContact CB-CZ 3.86Å; L408-F428 HydrophobicContact CD1-CB 3.63Å; L408-F428 HydrophobicContact CD1-CD1 4.21Å; L408-F428 HydrophobicContact CD1-CD2 3.81Å; L408-F428 HydrophobicContact CD1-CG 3.63Å; L408-F428 HydrophobicContact CG-CB 4.44Å; L408-F428 HydrophobicContact CG-CD2 3.65Å; L408-F428 HydrophobicContact CG-CE2 3.98Å; L408-F428 HydrophobicContact CG-CG 3.97Å
409	N	82.9	Confident	82.8	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.053	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-40.3	176.3	-87.7	-50.1	0	0	0	112.7	R364 L368 L405 Q406 R413	R364-N409 PolarHBondContact O-ND2 3.48Å; L368-N409 VanDerWaalsContact CA-OD1 3.31Å; L368-N409 WeakPolarHBondContact CA-OD1 3.33Å; L368-N409 WeakPolarHBondContact CB-OD1 3.36Å; L368-N409 WeakPolarHBondContact CD1-OD1 3.22Å; L405-N409 WeakPolarHBondContact O-CB 3.17Å; L405-N409 PolarHBondContact O-N 2.97Å; L405-N409 VanDerWaalsContact O-N 3.07Å; L405-N409 PolarHBondContact O-ND2 3.13Å; Q406-N409 PolarHBondContact O-N 3.39Å; N409-R413 WeakPolarHBondContact O-CB 3.45Å; N409-R413 VanDerWaalsContact O-CG 3.27Å; N409-R413 WeakPolarHBondContact O-CG 3.1Å; N409-R413 PolarHBondContact O-N 2.6Å; N409-R413 VanDerWaalsContact O-N 3.12Å
410	N	86.5	Confident	82.7	Confident	99 Å²	99	57.5 Å²	57.5	53%	0.529	32%	0.318	S	S	.	.	H	α-helix	trans	-70.2	-42.5	179.9	-68.8	-13.4	0	0	0	111.6	Q406 E407 L408 R413 A414	Q406-N410 WeakPolarHBondContact O-CB 3.39Å; Q406-N410 PolarHBondContact O-N 3.48Å; Q406-N410 PolarHBondContact O-ND2 3.03Å; E407-N410 PolarHBondContact O-N 2.91Å; L408-N410 VanDerWaalsContact C-N 3.28Å; L408-N410 PolarHBondContact O-N 3.46Å; N410-R413 PolarHBondContact O-N 3.41Å; N410-A414 PolarHBondContact O-N 3.08Å
411	T	85.6	Confident	82.8	Confident	45 Å²	45	56.7 Å²	56.7	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-65.4	-40.3	177.1	50.2	0	0	0	0	111.9	E407 L408 R413 A414 S415	E407-T411 WeakPolarHBondContact O-CB 3.38Å; E407-T411 VanDerWaalsContact O-CG2 3.27Å; E407-T411 WeakPolarHBondContact O-CG2 3.44Å; E407-T411 PolarHBondContact O-N 3.3Å; E407-T411 PolarHBondContact O-OG1 2.88Å; L408-T411 WeakPolarHBondContact CA-OG1 3.44Å; L408-T411 PolarHBondContact O-N 3.29Å; L408-T411 PolarHBondContact O-OG1 3.44Å; T411-R413 VanDerWaalsContact C-N 3.31Å; T411-R413 PolarHBondContact O-N 2.92Å; T411-A414 PolarHBondContact O-N 3.32Å; T411-S415 PolarHBondContact O-N 3.44Å; T411-S415 VanDerWaalsContact O-N 3.1Å; T411-S415 PolarHBondContact O-OG 3.27Å
412	L	83.1	Confident	82.8	Confident	2 Å²	2	54 Å²	54	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-67.8	-26.8	174.7	-72.3	-175.2	0	0	0	114.2	L368 I372 R376 F379 L408 S415 S421	L368-L412 HydrophobicContact CD1-CD1 3.74Å; I372-L412 HydrophobicContact CD1-CD1 3.97Å; I372-L412 HydrophobicContact CG1-CD1 3.88Å; R376-L412 PolarHBondContact NH2-O 2.99Å; R376-L412 VanDerWaalsContact NH2-O 3.11Å; F379-L412 HydrophobicContact CZ-CD2 4.24Å; L408-L412 HydrophobicContact CD2-CD1 3.35Å; L408-L412 HydrophobicContact CD2-CG 3.84Å; L408-L412 WeakPolarHBondContact O-CB 3.09Å; L408-L412 WeakPolarHBondContact O-CG 3.28Å; L408-L412 PolarHBondContact O-N 3.38Å; L412-S415 WeakPolarHBondContact CA-OG 3.47Å; L412-S415 PolarHBondContact O-OG 2.83Å; L412-S415 VanDerWaalsContact O-OG 3.08Å; L412-S421 WeakPolarHBondContact CD2-O 3.29Å
413	R	79.5	Confident	83.1	Confident	153 Å²	153	58.9 Å²	58.9	58%	0.577	32%	0.318	S	S	*	.	H	α-helix	trans	-76.5	-35.9	172.8	-78.1	173.9	178.5	-102.8	-3.5	112	M371 N409 N410 T411	M371-R413 HydrophobicContact CE-CG 4.13Å; N409-R413 WeakPolarHBondContact O-CB 3.45Å; N409-R413 VanDerWaalsContact O-CG 3.27Å; N409-R413 WeakPolarHBondContact O-CG 3.1Å; N409-R413 PolarHBondContact O-N 2.6Å; N409-R413 VanDerWaalsContact O-N 3.12Å; N410-R413 PolarHBondContact O-N 3.41Å; T411-R413 VanDerWaalsContact C-N 3.31Å; T411-R413 PolarHBondContact O-N 2.92Å
414	A	84.4	Confident	83.2	Confident	84 Å²	84	54.7 Å²	54.7	69%	0.694	30%	0.302	S	S	*	.	H	α-helix	trans	-75.4	-25.7	179.8	0	0	0	0	0	113	N410 T411	N410-A414 PolarHBondContact O-N 3.08Å; T411-A414 PolarHBondContact O-N 3.32Å
415	S	80	Confident	83.3	Confident	14 Å²	14	51.9 Å²	51.9	10%	0.098	29%	0.29	C	S	.	.			trans	-75.4	125.6	176.3	52.7	0	0	0	0	111	R376 T411 L412 S421	R376-S415 PolarHBondContact NH2-O 3Å; T411-S415 PolarHBondContact O-N 3.44Å; T411-S415 VanDerWaalsContact O-N 3.1Å; T411-S415 PolarHBondContact O-OG 3.27Å; L412-S415 WeakPolarHBondContact CA-OG 3.47Å; L412-S415 PolarHBondContact O-OG 2.83Å; L412-S415 VanDerWaalsContact O-OG 3.08Å; S415-S421 WeakPolarHBondContact CB-OG 3.45Å; S415-S421 PolarHBondContact OG-OG 3.49Å
416	T	76	Confident	83.6	Confident	136 Å²	136	55.1 Å²	55.1	83%	0.834	30%	0.303	S	S	*	.			trans	-83.8	-41	173.1	48.6	0	0	0	0	110.9	R376	R376-T416 PolarHBondContact NH1-O 3.29Å
417	D	81	Confident	84	Confident	76 Å²	76	59.3 Å²	59.3	41%	0.406	32%	0.32	S	S	.	.	S	Bend	trans	-82.2	144.2	-175.4	173.6	60.3	0	0	0	114.1	A419 S420 S421	D417-A419 WeakPolarHBondContact OD2-CA 3.48Å; D417-A419 VanDerWaalsContact OD2-CB 3.32Å; D417-A419 WeakPolarHBondContact OD2-CB 3.34Å; D417-A419 PolarHBondContact OD2-N 2.93Å; D417-S420 PolarHBondContact OD2-N 2.86Å; D417-S420 PolarHBondContact OD2-OG 3.34Å; D417-S420 VanDerWaalsContact OD2-OG 3.08Å; D417-S421 WeakPolarHBondContact O-CB 3.47Å; D417-S421 PolarHBondContact O-N 2.9Å; D417-S421 PolarHBondContact O-OG 2.95Å
418	I	79.8	Confident	84.2	Confident	55 Å²	55	55.4 Å²	55.4	28%	0.282	30%	0.302	S	S	.	.	H	α-helix	trans	-69.3	-41.6	-178.4	-62.5	173.7	0	0	0	110.6	F379 A382 S421 A422	F379-I418 HydrophobicContact CB-CG2 4.41Å; F379-I418 HydrophobicContact CD1-CG2 4.02Å; A382-I418 HydrophobicContact CB-CG2 4.41Å; I418-S421 WeakPolarHBondContact O-CB 2.91Å; I418-S421 PolarHBondContact O-N 3.18Å; I418-A422 WeakPolarHBondContact O-CB 3.45Å; I418-A422 PolarHBondContact O-N 3.13Å
419	A	82.5	Confident	84.5	Confident	49 Å²	49	55.7 Å²	55.7	41%	0.405	30%	0.303	S	S	.	.	H	α-helix	trans	-68.5	-40	-179.1	0	0	0	0	0	111.4	D417 A422 H423	D417-A419 WeakPolarHBondContact OD2-CA 3.48Å; D417-A419 VanDerWaalsContact OD2-CB 3.32Å; D417-A419 WeakPolarHBondContact OD2-CB 3.34Å; D417-A419 PolarHBondContact OD2-N 2.93Å; A419-A422 PolarHBondContact O-N 3.35Å; A419-H423 PolarHBondContact O-N 2.58Å
420	S	84	Confident	84.9	Confident	61 Å²	61	59.5 Å²	59.5	43%	0.427	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-43.8	174.1	-59.2	0	0	0	0	111.6	D417 A422 H423 C424	D417-S420 PolarHBondContact OD2-N 2.86Å; D417-S420 PolarHBondContact OD2-OG 3.34Å; D417-S420 VanDerWaalsContact OD2-OG 3.08Å; S420-A422 PolarHBondContact O-N 2.9Å; S420-H423 PolarHBondContact O-N 3.4Å; S420-C424 PolarHBondContact O-N 3.01Å; S420-C424 PolarHBondContact O-SG 3.1Å; S420-C424 VanDerWaalsContact O-SG 3.4Å
421	S	84	Confident	85.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-43	174.4	-56.2	0	0	0	0	111.9	L412 S415 D417 I418 C424 F425	L412-S421 WeakPolarHBondContact CD2-O 3.29Å; S415-S421 WeakPolarHBondContact CB-OG 3.45Å; S415-S421 PolarHBondContact OG-OG 3.49Å; D417-S421 WeakPolarHBondContact O-CB 3.47Å; D417-S421 PolarHBondContact O-N 2.9Å; D417-S421 PolarHBondContact O-OG 2.95Å; I418-S421 WeakPolarHBondContact O-CB 2.91Å; I418-S421 PolarHBondContact O-N 3.18Å; S421-C424 PolarHBondContact O-N 3.18Å; S421-F425 WeakPolarHBondContact O-CB 3.31Å; S421-F425 PolarHBondContact O-N 2.6Å
422	A	84.4	Confident	85.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-37.7	177.3	0	0	0	0	0	112.3	F379 F384 I418 A419 S420 F425 R426	F379-A422 HydrophobicContact CB-CB 3.9Å; F379-A422 HydrophobicContact CD1-CB 3.83Å; F379-A422 HydrophobicContact CD2-CB 4.06Å; F379-A422 HydrophobicContact CE1-CB 4.38Å; F379-A422 HydrophobicContact CG-CB 3.66Å; F384-A422 HydrophobicContact CD2-CB 3.91Å; F384-A422 HydrophobicContact CE2-CB 3.6Å; F384-A422 HydrophobicContact CZ-CB 4.47Å; I418-A422 WeakPolarHBondContact O-CB 3.45Å; I418-A422 PolarHBondContact O-N 3.13Å; A419-A422 PolarHBondContact O-N 3.35Å; S420-A422 PolarHBondContact O-N 2.9Å; A422-F425 PolarHBondContact O-N 3.17Å; A422-R426 VanDerWaalsContact C-NH2 3.33Å; A422-R426 PolarHBondContact O-N 3.32Å; A422-R426 PolarHBondContact O-NH2 3.04Å
423	H	86.3	Confident	85.8	Confident	126 Å²	126	57.8 Å²	57.8	58%	0.583	31%	0.311	S	S	*	.	H	α-helix	trans	-65	-45.4	173.8	179.4	-87.7	0	0	0	111.7	A419 S420 F425 R426 K427	A419-H423 PolarHBondContact O-N 2.58Å; S420-H423 PolarHBondContact O-N 3.4Å; H423-F425 VanDerWaalsContact C-N 3.33Å; H423-F425 PolarHBondContact O-N 3.09Å; H423-R426 PolarHBondContact O-N 3.35Å; H423-K427 PolarHBondContact O-N 3.3Å
424	C	86.5	Confident	86.3	Confident	38 Å²	38	57.1 Å²	57.1	26%	0.257	31%	0.314	S	S	.	.	H	α-helix	trans	-57.6	-46.1	173.2	-71.1	0	0	0	0	111.4	S420 S421 K427 F428	S420-C424 PolarHBondContact O-N 3.01Å; S420-C424 PolarHBondContact O-SG 3.1Å; S420-C424 VanDerWaalsContact O-SG 3.4Å; S421-C424 PolarHBondContact O-N 3.18Å; C424-K427 WeakPolarHBondContact O-CB 3.49Å; C424-K427 PolarHBondContact O-N 2.9Å; C424-F428 WeakPolarHBondContact O-CD2 3.48Å; C424-F428 PolarHBondContact O-N 2.7Å
425	F	88.3	Confident	86.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.6	-50.3	176.6	179.3	-98	0	0	0	112.1	I372 F379 I389 D392 L393 L396 L408 S421 A422 H423 K427 F428 V429	I372-F425 HydrophobicContact CD1-CD2 3.75Å; I372-F425 HydrophobicContact CD1-CE2 3.63Å; F379-F425 HydrophobicContact CE2-CB 3.9Å; F379-F425 HydrophobicContact CE2-CD1 4.16Å; F379-F425 HydrophobicContact CE2-CD2 4.41Å; F379-F425 AromaticContact CE2-CG 3.9Å; F379-F425 HydrophobicContact CE2-CG 3.9Å; F379-F425 HydrophobicContact CZ-CB 4.16Å; I389-F425 HydrophobicContact CG2-CE1 4Å; I389-F425 HydrophobicContact CG2-CZ 4.28Å; D392-F425 HydrophobicContact CB-CE1 3.83Å; D392-F425 HydrophobicContact CB-CZ 3.9Å; L393-F425 HydrophobicContact CB-CE2 4.34Å; L393-F425 HydrophobicContact CB-CZ 4.06Å; L393-F425 HydrophobicContact CD1-CE2 4.24Å; L396-F425 HydrophobicContact CD1-CD2 3.99Å; L396-F425 HydrophobicContact CD1-CE1 4.46Å; L396-F425 HydrophobicContact CD1-CE2 3.39Å; L396-F425 HydrophobicContact CD1-CZ 3.68Å; L408-F425 HydrophobicContact CD1-CD2 4.46Å; S421-F425 WeakPolarHBondContact O-CB 3.31Å; S421-F425 PolarHBondContact O-N 2.6Å; A422-F425 PolarHBondContact O-N 3.17Å; H423-F425 VanDerWaalsContact C-N 3.33Å; H423-F425 PolarHBondContact O-N 3.09Å; F425-K427 VanDerWaalsContact C-N 3.27Å; F425-K427 PolarHBondContact O-N 3.11Å; F425-F428 PolarHBondContact O-N 2.88Å; F425-F428 VanDerWaalsContact O-N 3.08Å; F425-V429 HydrophobicContact CD1-CG2 4.02Å; F425-V429 HydrophobicContact CE1-CG2 3.66Å; F425-V429 HydrophobicContact CZ-CG2 4.06Å; F425-V429 PolarHBondContact O-N 2.64Å; F425-V429 VanDerWaalsContact O-N 3.07Å
426	R	88.1	Confident	86.9	Confident	69 Å²	69	58.6 Å²	58.6	26%	0.26	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-34.6	176.6	-91	-176.2	-66.7	-78.4	-4.1	113.4	F384 A422 H423 F428 V429 N430	F384-R426 VanDerWaalsContact CE1-NH2 3.34Å; A422-R426 VanDerWaalsContact C-NH2 3.33Å; A422-R426 PolarHBondContact O-N 3.32Å; A422-R426 PolarHBondContact O-NH2 3.04Å; H423-R426 PolarHBondContact O-N 3.35Å; R426-F428 VanDerWaalsContact C-N 3.28Å; R426-F428 PolarHBondContact O-N 3.44Å; R426-V429 PolarHBondContact O-N 3.01Å; R426-N430 WeakPolarHBondContact O-CB 3.41Å; R426-N430 VanDerWaalsContact O-CG 3.27Å; R426-N430 PolarHBondContact O-N 3.25Å
427	K	90	Very high	87.5	Confident	137 Å²	137	55.9 Å²	55.9	60%	0.596	28%	0.282	S	S	*	.	H	α-helix	trans	-57.3	-44.1	174.5	-174.6	-173.7	174.8	-173.1	0	111.2	H423 C424 F425 N430 E431	H423-K427 PolarHBondContact O-N 3.3Å; C424-K427 WeakPolarHBondContact O-CB 3.49Å; C424-K427 PolarHBondContact O-N 2.9Å; F425-K427 VanDerWaalsContact C-N 3.27Å; F425-K427 PolarHBondContact O-N 3.11Å; K427-N430 PolarHBondContact O-N 2.99Å; K427-E431 PolarHBondContact O-N 3.36Å
428	F	90.3	Very high	87.7	Confident	9 Å²	9	54.5 Å²	54.5	4%	0.039	28%	0.282	C	S	.	.	H	α-helix	trans	-69.8	-35.4	176.1	-78.2	-84.4	0	0	0	112.8	L396 M400 K404 E407 L408 C424 F425 R426 E431 L432	L396-F428 HydrophobicContact CD1-CB 4.44Å; L396-F428 HydrophobicContact CD2-CB 4.03Å; M400-F428 HydrophobicContact CE-CD1 4.26Å; K404-F428 HydrophobicContact CD-CE1 4.21Å; E407-F428 HydrophobicContact CB-CE1 4.27Å; E407-F428 HydrophobicContact CB-CZ 3.95Å; E407-F428 HydrophobicContact CG-CZ 3.91Å; L408-F428 HydrophobicContact CB-CD1 4.19Å; L408-F428 HydrophobicContact CB-CD2 3.88Å; L408-F428 HydrophobicContact CB-CE1 4.05Å; L408-F428 HydrophobicContact CB-CE2 3.76Å; L408-F428 HydrophobicContact CB-CG 4.11Å; L408-F428 HydrophobicContact CB-CZ 3.86Å; L408-F428 HydrophobicContact CD1-CB 3.63Å; L408-F428 HydrophobicContact CD1-CD1 4.21Å; L408-F428 HydrophobicContact CD1-CD2 3.81Å; L408-F428 HydrophobicContact CD1-CG 3.63Å; L408-F428 HydrophobicContact CG-CB 4.44Å; L408-F428 HydrophobicContact CG-CD2 3.65Å; L408-F428 HydrophobicContact CG-CE2 3.98Å; L408-F428 HydrophobicContact CG-CG 3.97Å; C424-F428 WeakPolarHBondContact O-CD2 3.48Å; C424-F428 PolarHBondContact O-N 2.7Å; F425-F428 PolarHBondContact O-N 2.88Å; F425-F428 VanDerWaalsContact O-N 3.08Å; R426-F428 VanDerWaalsContact C-N 3.28Å; R426-F428 PolarHBondContact O-N 3.44Å; F428-E431 PolarHBondContact O-N 3.37Å; F428-L432 WeakPolarHBondContact O-CB 3.47Å; F428-L432 PolarHBondContact O-N 2.81Å
429	V	90.7	Very high	88	Confident	6 Å²	6	56.2 Å²	56.2	4%	0.036	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-46.4	173.3	178.9	0	0	0	0	110.5	D392 L396 F425 R426 E431 L432 D433	D392-V429 HydrophobicContact CB-CG1 4.25Å; D392-V429 HydrophobicContact CB-CG2 3.76Å; L396-V429 HydrophobicContact CD1-CG2 3.59Å; L396-V429 HydrophobicContact CG-CG2 4.22Å; F425-V429 HydrophobicContact CD1-CG2 4.02Å; F425-V429 HydrophobicContact CE1-CG2 3.66Å; F425-V429 HydrophobicContact CZ-CG2 4.06Å; F425-V429 PolarHBondContact O-N 2.64Å; F425-V429 VanDerWaalsContact O-N 3.07Å; R426-V429 PolarHBondContact O-N 3.01Å; V429-E431 PolarHBondContact O-N 2.87Å; V429-L432 WeakPolarHBondContact O-CB 3.3Å; V429-L432 PolarHBondContact O-N 2.83Å; V429-L432 VanDerWaalsContact O-N 3.15Å; V429-D433 PolarHBondContact O-N 3.11Å
430	N	92	Very high	88.1	Confident	90 Å²	90	60.2 Å²	60.2	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-42.1	177.2	-68.9	-8.4	0	0	0	111.5	R426 K427 L432 D433 E434	R426-N430 WeakPolarHBondContact O-CB 3.41Å; R426-N430 VanDerWaalsContact O-CG 3.27Å; R426-N430 PolarHBondContact O-N 3.25Å; K427-N430 PolarHBondContact O-N 2.99Å; N430-L432 VanDerWaalsContact C-N 3.3Å; N430-L432 PolarHBondContact O-N 3.2Å; N430-D433 PolarHBondContact O-N 3.02Å; N430-E434 WeakPolarHBondContact O-CB 3.44Å; N430-E434 VanDerWaalsContact O-CG 3.3Å; N430-E434 WeakPolarHBondContact O-CG 3.35Å; N430-E434 PolarHBondContact O-N 2.7Å
431	E	91.5	Very high	87.9	Confident	66 Å²	66	61.6 Å²	61.6	31%	0.308	30%	0.299	S	S	.	.	H	α-helix	trans	-60.2	-39.7	174.4	-175.1	-179.8	167.8	0	0	111.7	K404 K427 F428 V429 R435	K404-E431 WeakPolarHBondContact CE-OE1 3.35Å; K404-E431 IonicContact NZ-OE1 3.81Å; K404-E431 PolarHBondContact NZ-OE1 3.39Å; K404-E431 IonicContact NZ-OE2 2.72Å; K404-E431 PolarHBondContact NZ-OE2 2.89Å; K427-E431 PolarHBondContact O-N 3.36Å; F428-E431 PolarHBondContact O-N 3.37Å; V429-E431 PolarHBondContact O-N 2.87Å; E431-R435 WeakPolarHBondContact O-CB 3.43Å; E431-R435 PolarHBondContact O-N 3.48Å
432	L	91	Very high	87.6	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-67	-45.3	175	-177.4	155.8	0	0	0	111.5	L396 L399 M400 F428 V429 N430 R435 L436	L396-L432 HydrophobicContact CD2-CB 4.12Å; L396-L432 HydrophobicContact CD2-CD1 3.73Å; L396-L432 HydrophobicContact CG-CD1 4.22Å; L399-L432 HydrophobicContact CB-CD1 4.02Å; L399-L432 HydrophobicContact CD1-CD2 4.46Å; M400-L432 HydrophobicContact CG-CD1 3.89Å; M400-L432 HydrophobicContact SD-CB 4.01Å; M400-L432 HydrophobicContact SD-CD1 3.9Å; M400-L432 HydrophobicContact SD-CG 4.27Å; F428-L432 WeakPolarHBondContact O-CB 3.47Å; F428-L432 PolarHBondContact O-N 2.81Å; V429-L432 WeakPolarHBondContact O-CB 3.3Å; V429-L432 PolarHBondContact O-N 2.83Å; V429-L432 VanDerWaalsContact O-N 3.15Å; N430-L432 VanDerWaalsContact C-N 3.3Å; N430-L432 PolarHBondContact O-N 3.2Å; L432-R435 PolarHBondContact O-N 2.96Å; L432-L436 HydrophobicContact CD2-CD1 3.45Å; L432-L436 VanDerWaalsContact CD2-CD1 3.45Å; L432-L436 HydrophobicContact CD2-CG 3.95Å; L432-L436 WeakPolarHBondContact O-CB 3.48Å; L432-L436 WeakPolarHBondContact O-CG 3.45Å; L432-L436 PolarHBondContact O-N 3.11Å
433	D	91.2	Very high	87.2	Confident	43 Å²	43	70.6 Å²	70.6	23%	0.23	35%	0.351	C	S	.	.	H	α-helix	trans	-66.8	-38.1	179.1	-77.6	-30.8	0	0	0	111.4	R395 V429 N430 L436 N437	R395-D433 IonicContact CZ-OD1 3.64Å; R395-D433 IonicContact NH1-OD1 2.76Å; R395-D433 PolarHBondContact NH1-OD1 2.91Å; R395-D433 IonicContact NH1-OD2 3.78Å; R395-D433 IonicContact NH2-OD1 3.78Å; R395-D433 IonicContact NH2-OD2 3.51Å; V429-D433 PolarHBondContact O-N 3.11Å; N430-D433 PolarHBondContact O-N 3.02Å; D433-L436 PolarHBondContact O-N 2.96Å; D433-N437 WeakPolarHBondContact O-CB 3.42Å; D433-N437 PolarHBondContact O-N 3.08Å; D433-N437 PolarHBondContact O-ND2 3.24Å
434	E	91.4	Very high	86.6	Confident	138 Å²	138	67.1 Å²	67.1	65%	0.645	34%	0.344	S	S	*	.	H	α-helix	trans	-60.6	-45.3	171.1	-78.6	175.3	-172	0	0	111.3	N430 N437 A438	N430-E434 WeakPolarHBondContact O-CB 3.44Å; N430-E434 VanDerWaalsContact O-CG 3.3Å; N430-E434 WeakPolarHBondContact O-CG 3.35Å; N430-E434 PolarHBondContact O-N 2.7Å; E434-N437 PolarHBondContact O-N 3.26Å; E434-A438 VanDerWaalsContact O-CB 3.32Å; E434-A438 WeakPolarHBondContact O-CB 3.45Å; E434-A438 PolarHBondContact O-N 3.36Å
435	R	87.6	Confident	85.6	Confident	92 Å²	92	73.9 Å²	73.9	35%	0.347	36%	0.364	S	S	.	.	H	α-helix	trans	-65.3	-44	176.7	-175.1	169.7	63	97.3	-7.3	112.1	L399 E431 L432 N437 A438 E439	L399-R435 PolarHBondContact O-NH2 3.39Å; E431-R435 WeakPolarHBondContact O-CB 3.43Å; E431-R435 PolarHBondContact O-N 3.48Å; L432-R435 PolarHBondContact O-N 2.96Å; R435-N437 VanDerWaalsContact C-N 3.32Å; R435-N437 PolarHBondContact O-N 3.14Å; R435-A438 PolarHBondContact O-N 2.95Å; R435-E439 IonicContact NH1-OE1 3.39Å; R435-E439 PolarHBondContact NH1-OE1 2.56Å; R435-E439 VanDerWaalsContact NH1-OE1 3.11Å; R435-E439 WeakPolarHBondContact O-CG 3.4Å; R435-E439 PolarHBondContact O-N 2.87Å
436	L	89.3	Confident	84.4	Confident	37 Å²	37	79.9 Å²	79.9	19%	0.194	40%	0.396	C	S	.	.	H	α-helix	trans	-65.3	-37.2	175.8	-73.4	-175.7	0	0	0	111.8	L399 L432 D433 K440	L399-L436 HydrophobicContact CD1-CD1 4.09Å; L399-L436 HydrophobicContact CD1-CD2 4.44Å; L432-L436 HydrophobicContact CD2-CD1 3.45Å; L432-L436 VanDerWaalsContact CD2-CD1 3.45Å; L432-L436 HydrophobicContact CD2-CG 3.95Å; L432-L436 WeakPolarHBondContact O-CB 3.48Å; L432-L436 WeakPolarHBondContact O-CG 3.45Å; L432-L436 PolarHBondContact O-N 3.11Å; D433-L436 PolarHBondContact O-N 2.96Å; L436-K440 VanDerWaalsContact O-CB 3.29Å; L436-K440 WeakPolarHBondContact O-CB 3.42Å; L436-K440 WeakPolarHBondContact O-CG 3.35Å; L436-K440 PolarHBondContact O-N 3.47Å
437	N	87.8	Confident	83	Confident	79 Å²	79	79.7 Å²	79.7	42%	0.422	41%	0.405	S	S	.	.	H	α-helix	trans	-70	-35.2	174.9	-73.3	-22.7	0	0	0	111.4	D433 E434 R435 K440 N441	D433-N437 WeakPolarHBondContact O-CB 3.42Å; D433-N437 PolarHBondContact O-N 3.08Å; D433-N437 PolarHBondContact O-ND2 3.24Å; E434-N437 PolarHBondContact O-N 3.26Å; R435-N437 VanDerWaalsContact C-N 3.32Å; R435-N437 PolarHBondContact O-N 3.14Å; N437-K440 PolarHBondContact O-N 3.12Å; N437-N441 WeakPolarHBondContact O-CB 3.46Å; N437-N441 PolarHBondContact O-N 3.41Å; N437-N441 PolarHBondContact O-ND2 3.37Å
438	A	85.6	Confident	81	Confident	47 Å²	47	75.7 Å²	75.7	39%	0.388	40%	0.403	S	S	.	.	H	α-helix	trans	-64.9	-48.3	171.6	0	0	0	0	0	111.2	E434 R435 K440 N441 D442	E434-A438 VanDerWaalsContact O-CB 3.32Å; E434-A438 WeakPolarHBondContact O-CB 3.45Å; E434-A438 PolarHBondContact O-N 3.36Å; R435-A438 PolarHBondContact O-N 2.95Å; A438-K440 VanDerWaalsContact C-N 3.33Å; A438-K440 PolarHBondContact O-N 3.17Å; A438-N441 CarbonylContact O-C 3.57Å; A438-N441 PolarHBondContact O-N 2.85Å; A438-N441 VanDerWaalsContact O-N 3.14Å; A438-D442 WeakPolarHBondContact O-CB 3.47Å; A438-D442 PolarHBondContact O-N 2.94Å
439	E	84.5	Confident	78.8	Confident	92 Å²	92	84.3 Å²	84.3	43%	0.43	44%	0.44	S	S	.	.	H	α-helix	trans	-58.8	-43.7	174.1	-73.7	174.1	-164.3	0	0	111.2	R435 D442 V443	R435-E439 IonicContact NH1-OE1 3.39Å; R435-E439 PolarHBondContact NH1-OE1 2.56Å; R435-E439 VanDerWaalsContact NH1-OE1 3.11Å; R435-E439 WeakPolarHBondContact O-CG 3.4Å; R435-E439 PolarHBondContact O-N 2.87Å; E439-D442 PolarHBondContact O-N 3.02Å; E439-V443 WeakPolarHBondContact O-CB 3.45Å; E439-V443 WeakPolarHBondContact O-CG2 3Å; E439-V443 PolarHBondContact O-N 2.72Å
440	K	84.5	Confident	76.5	Confident	132 Å²	132	89.4 Å²	89.4	57%	0.574	47%	0.471	S	S	*	.	H	α-helix	trans	-63.6	-40.4	174.1	-76.6	171.9	-176.4	175.3	0	112.5	L436 N437 A438 V443 A444	L436-K440 VanDerWaalsContact O-CB 3.29Å; L436-K440 WeakPolarHBondContact O-CB 3.42Å; L436-K440 WeakPolarHBondContact O-CG 3.35Å; L436-K440 PolarHBondContact O-N 3.47Å; N437-K440 PolarHBondContact O-N 3.12Å; A438-K440 VanDerWaalsContact C-N 3.33Å; A438-K440 PolarHBondContact O-N 3.17Å; K440-V443 PolarHBondContact O-N 2.78Å; K440-A444 WeakPolarHBondContact O-CB 3.22Å; K440-A444 PolarHBondContact O-N 3.25Å
441	N	81.4	Confident	73.7	Confident	90 Å²	90	92.8 Å²	92.8	48%	0.481	49%	0.488	S	S	.	.	H	α-helix	trans	-71.5	-33.8	178.3	-77.1	-22.6	0	0	0	112.1	N437 A438 A444 R445	N437-N441 WeakPolarHBondContact O-CB 3.46Å; N437-N441 PolarHBondContact O-N 3.41Å; N437-N441 PolarHBondContact O-ND2 3.37Å; A438-N441 CarbonylContact O-C 3.57Å; A438-N441 PolarHBondContact O-N 2.85Å; A438-N441 VanDerWaalsContact O-N 3.14Å; N441-A444 PolarHBondContact O-N 2.99Å; N441-R445 VanDerWaalsContact O-CB 3.25Å; N441-R445 WeakPolarHBondContact O-CB 3.41Å; N441-R445 VanDerWaalsContact O-CG 3.31Å; N441-R445 WeakPolarHBondContact O-CG 3.37Å; N441-R445 PolarHBondContact O-N 3.13Å
442	D	77.3	Confident	70.8	Confident	98 Å²	98	92.9 Å²	92.9	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-69.3	-42.8	172.1	-80.7	-12.5	0	0	0	110.5	A438 E439 A444 R445 N446	A438-D442 WeakPolarHBondContact O-CB 3.47Å; A438-D442 PolarHBondContact O-N 2.94Å; E439-D442 PolarHBondContact O-N 3.02Å; D442-A444 VanDerWaalsContact C-N 3.34Å; D442-A444 PolarHBondContact O-N 2.96Å; D442-R445 PolarHBondContact O-N 2.8Å; D442-N446 VanDerWaalsContact O-CB 3.32Å; D442-N446 WeakPolarHBondContact O-CB 3.01Å; D442-N446 PolarHBondContact O-N 2.75Å; D442-N446 PolarHBondContact O-OD1 3.39Å
443	V	75.9	Confident	67.7	Low	92 Å²	92	99.6 Å²	99.6	56%	0.558	54%	0.543	S	S	*	.	H	α-helix	trans	-61	-43.7	170.7	172.7	0	0	0	0	110.4	E439 K440 N446 S447	E439-V443 WeakPolarHBondContact O-CB 3.45Å; E439-V443 WeakPolarHBondContact O-CG2 3Å; E439-V443 PolarHBondContact O-N 2.72Å; K440-V443 PolarHBondContact O-N 2.78Å; V443-N446 CarbonylContact O-C 3.57Å; V443-N446 PolarHBondContact O-N 3.11Å; V443-S447 VanDerWaalsContact O-CB 3.25Å; V443-S447 WeakPolarHBondContact O-CB 3.45Å; V443-S447 PolarHBondContact O-N 2.91Å; V443-S447 PolarHBondContact O-OG 3.01Å
444	A	73.8	Confident	64.7	Low	53 Å²	53	104 Å²	104	44%	0.438	57%	0.566	S	S	.	*	H	α-helix	trans	-69.9	-33.2	178.5	0	0	0	0	0	112.9	K440 N441 D442 S447 G448	K440-A444 WeakPolarHBondContact O-CB 3.22Å; K440-A444 PolarHBondContact O-N 3.25Å; N441-A444 PolarHBondContact O-N 2.99Å; D442-A444 VanDerWaalsContact C-N 3.34Å; D442-A444 PolarHBondContact O-N 2.96Å; A444-S447 PolarHBondContact O-N 3.47Å; A444-G448 WeakPolarHBondContact O-CA 3.38Å; A444-G448 PolarHBondContact O-N 3.38Å
445	R	65.3	Low	61.7	Low	180 Å²	180	100.6 Å²	100.6	68%	0.679	57%	0.569	S	S	*	*	H	α-helix	trans	-68.8	-39.9	171	-84.9	-178.2	159.5	102	1.3	111.5	N441 D442 S447 K449	N441-R445 VanDerWaalsContact O-CB 3.25Å; N441-R445 WeakPolarHBondContact O-CB 3.41Å; N441-R445 VanDerWaalsContact O-CG 3.31Å; N441-R445 WeakPolarHBondContact O-CG 3.37Å; N441-R445 PolarHBondContact O-N 3.13Å; D442-R445 PolarHBondContact O-N 2.8Å; R445-S447 VanDerWaalsContact C-N 3.3Å; R445-K449 PolarHBondContact O-N 3.39Å
446	N	62.4	Low	58.9	Low	125 Å²	125	105.7 Å²	105.7	67%	0.668	60%	0.597	S	S	*	*	H	α-helix	trans	-69.8	-30	173.8	-74.9	22.6	0	0	0	111.7	D442 V443	D442-N446 VanDerWaalsContact O-CB 3.32Å; D442-N446 WeakPolarHBondContact O-CB 3.01Å; D442-N446 PolarHBondContact O-N 2.75Å; D442-N446 PolarHBondContact O-OD1 3.39Å; V443-N446 CarbonylContact O-C 3.57Å; V443-N446 PolarHBondContact O-N 3.11Å
447	S	58.5	Low	56	Low	65 Å²	65	110.3 Å²	110.3	46%	0.455	63%	0.626	S	S	.	*	H	α-helix	trans	-82.1	-38.4	177.8	-53.8	0	0	0	0	112.8	V443 A444 R445 K449 V450	V443-S447 VanDerWaalsContact O-CB 3.25Å; V443-S447 WeakPolarHBondContact O-CB 3.45Å; V443-S447 PolarHBondContact O-N 2.91Å; V443-S447 PolarHBondContact O-OG 3.01Å; A444-S447 PolarHBondContact O-N 3.47Å; R445-S447 VanDerWaalsContact C-N 3.3Å; S447-K449 PolarHBondContact O-N 2.95Å; S447-V450 CarbonylContact O-C 3.49Å; S447-V450 VanDerWaalsContact O-C 3.25Å; S447-V450 WeakPolarHBondContact O-CA 3.43Å; S447-V450 PolarHBondContact O-N 3.05Å
448	G	48.4	Very low	53.5	Low	53 Å²	53	113 Å²	113	55%	0.546	64%	0.635	S	S	.	*	H	α-helix	trans	-72.5	-10.5	178.1	0	0	0	0	0	113.8	A444	A444-G448 WeakPolarHBondContact O-CA 3.38Å; A444-G448 PolarHBondContact O-N 3.38Å
449	K	45.2	Very low	51.1	Low	191 Å²	191	114.8 Å²	114.8	83%	0.83	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	1.8	165.7	-140.9	162.4	-173.8	171.7	0	112.9	R445 S447	R445-K449 PolarHBondContact O-N 3.39Å; S447-K449 PolarHBondContact O-N 2.95Å
450	V	42.8	Very low	49.4	Very low	112 Å²	112	114 Å²	114	68%	0.679	66%	0.657	S	S	*	*			trans	-136.9	62.1	178	-168.1	0	0	0	0	108.8	S447	S447-V450 CarbonylContact O-C 3.49Å; S447-V450 VanDerWaalsContact O-C 3.25Å; S447-V450 WeakPolarHBondContact O-CA 3.43Å; S447-V450 PolarHBondContact O-N 3.05Å
451	L	32.1	Very low	48	Very low	161 Å²	161	114.4 Å²	114.4	84%	0.843	67%	0.673	S	S	*	*			trans	-117.8	68.1	163.7	-76.9	170.2	0	0	0	108.6
452	G	30.8	Very low	47	Very low	68 Å²	68	111.9 Å²	111.9	70%	0.701	66%	0.662	S	S	*	*			trans	-118.3	118.5	157	0	0	0	0	0	107.3
453	N	26.7	Very low	46.9	Very low	144 Å²	144	108.7 Å²	108.7	77%	0.77	64%	0.642	S	S	*	*			trans	-6.2	143.1	170	-120.9	36.3	0	0	0	120.5
454	D	28.2	Very low	47.2	Very low	134 Å²	134	107.5 Å²	107.5	72%	0.717	64%	0.636	S	S	*	*			trans	83.7	112.6	150.2	-53.9	-41.9	0	0	0	120.7
455	G	26.7	Very low	47.4	Very low	68 Å²	68	113.1 Å²	113.1	70%	0.701	65%	0.65	S	S	*	*	S	Bend		79.5	99	129.7	0	0	0	0	0	118.4	T457	G455-T457 PolarHBondContact O-N 3.25Å
456	E	30.6	Very low	48.1	Very low	199 Å²	199	108.7 Å²	108.7	93%	0.93	64%	0.637	S	S	*	*			trans	38.7	76.1	153.5	-64.5	-178	171.1	0	0	115.7
457	T	27.9	Very low	49.2	Very low	133 Å²	133	103 Å²	103	82%	0.816	61%	0.606	S	S	*	*			trans	-90	121.1	179.2	42.4	0	0	0	0	111.9	G455 G459	G455-T457 PolarHBondContact O-N 3.25Å; T457-G459 PolarHBondContact O-N 2.91Å; T457-G459 VanDerWaalsContact O-N 3.08Å
458	F	35.5	Very low	50.5	Low	136 Å²	136	100.8 Å²	100.8	60%	0.596	59%	0.593	S	S	*	*			trans	-50.8	107.8	168.1	-89.9	-109.1	0	0	0	110.6	D460 V521	F458-D460 PolarHBondContact O-N 3.41Å; F458-V521 HydrophobicContact CE1-CG2 4.3Å; F458-V521 HydrophobicContact CZ-CG1 4.38Å
459	G	35.3	Very low	52.3	Low	85 Å²	85	104.1 Å²	104.1	88%	0.876	59%	0.594	S	S	*	*	S	Bend	trans	-70.6	83.4	-177	0	0	0	0	0	114.3	T457	T457-G459 PolarHBondContact O-N 2.91Å; T457-G459 VanDerWaalsContact O-N 3.08Å
460	D	47.7	Very low	54.5	Low	76 Å²	76	96.5 Å²	96.5	41%	0.406	56%	0.562	S	S	.	*			trans	-145.9	107.9	139.5	-163.3	-22.1	0	0	0	106.1	F458 S462 W463	F458-D460 PolarHBondContact O-N 3.41Å; D460-S462 PolarHBondContact O-N 2.88Å; D460-W463 PolarHBondContact O-N 3.27Å
461	P	56	Low	56.7	Low	140 Å²	140	91.2 Å²	91.2	91%	0.909	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	2.3	-166.3	22.2	-32.6	0	0	0	115.2
462	S	60.6	Low	59.4	Low	37 Å²	37	86.6 Å²	86.6	26%	0.259	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-25.5	171.1	60.3	0	0	0	0	113.4	D460 K506	D460-S462 PolarHBondContact O-N 2.88Å; S462-K506 PolarHBondContact O-NZ 3.32Å
463	W	75.6	Confident	62.1	Low	30 Å²	30	91.2 Å²	91.2	11%	0.114	50%	0.504	C	S	.	.			trans	-106.2	121	-170.4	-75.8	83.9	0	0	0	114.3	D460 E467 L471 I493 K506 Q510 V511 M514	D460-W463 PolarHBondContact O-N 3.27Å; W463-E467 VanDerWaalsContact CA-OE2 3.29Å; W463-E467 WeakPolarHBondContact CA-OE2 3.36Å; W463-E467 HydrophobicContact CE3-CB 3.71Å; W463-E467 HydrophobicContact CZ3-CB 4.09Å; W463-L471 HydrophobicContact CH2-CD2 3.98Å; W463-L471 HydrophobicContact CZ3-CB 4.09Å; W463-L471 HydrophobicContact CZ3-CD2 3.93Å; W463-I493 HydrophobicContact CH2-CD1 3.94Å; W463-I493 HydrophobicContact CZ3-CD1 4.09Å; W463-K506 HydrophobicContact CH2-CD 4.36Å; W463-K506 HydrophobicContact CH2-CG 4.34Å; W463-K506 HydrophobicContact CZ2-CD 3.95Å; W463-K506 HydrophobicContact CZ2-CG 4.35Å; W463-Q510 HydrophobicContact CZ2-CB 4.42Å; W463-V511 HydrophobicContact CH2-CG2 4.08Å; W463-V511 HydrophobicContact CZ2-CG2 4.37Å; W463-M514 HydrophobicContact CB-CE 4.27Å; W463-M514 HydrophobicContact CD2-CB 4.27Å; W463-M514 HydrophobicContact CD2-CG 3.84Å; W463-M514 HydrophobicContact CD2-SD 4.37Å; W463-M514 HydrophobicContact CE3-CG 3.99Å; W463-M514 HydrophobicContact CG-CE 4.39Å; W463-M514 HydrophobicContact CG-CG 4.38Å; W463-M514 HydrophobicContact CG-SD 4.29Å; W463-M514 HydrophobicContact CH2-CB 4.08Å; W463-M514 HydrophobicContact CH2-CG 4.23Å; W463-M514 HydrophobicContact CZ2-CB 3.67Å; W463-M514 HydrophobicContact CZ2-CG 4.09Å; W463-M514 HydrophobicContact CZ3-CG 4.18Å
464	T	81	Confident	65.1	Low	68 Å²	68	84.3 Å²	84.3	42%	0.417	47%	0.468	S	S	.	.			trans	-83.7	158.8	172.1	72.3	0	0	0	0	111.8	E466 E467 A468	T464-E466 PolarHBondContact O-N 2.76Å; T464-E467 PolarHBondContact N-OE2 2.98Å; T464-E467 WeakPolarHBondContact O-CB 3.32Å; T464-E467 PolarHBondContact O-N 3.31Å; T464-E467 VanDerWaalsContact O-N 3.1Å; T464-E467 VanDerWaalsContact OG1-CG 3.29Å; T464-E467 WeakPolarHBondContact OG1-CG 3.42Å; T464-E467 PolarHBondContact OG1-N 3.01Å; T464-E467 VanDerWaalsContact OG1-N 3.12Å; T464-A468 PolarHBondContact O-N 2.79Å
465	K	79.5	Confident	67.9	Low	171 Å²	171	80 Å²	80	74%	0.743	44%	0.444	S	S	*	.	H	α-helix	trans	-57.5	-36.4	173.7	-170.8	174.3	-177.8	174.2	0	112	A468 Q469	K465-A468 PolarHBondContact O-N 3.37Å; K465-Q469 WeakPolarHBondContact O-CG 3.21Å; K465-Q469 PolarHBondContact O-N 2.86Å
466	E	79.9	Confident	70.7	Confident	86 Å²	86	84.2 Å²	84.2	40%	0.402	45%	0.445	S	S	.	.	H	α-helix	trans	-65.3	-43.4	174.6	-59.8	-175.6	169.8	0	0	111.5	T464 A468 Q469 L470 K498	T464-E466 PolarHBondContact O-N 2.76Å; E466-A468 VanDerWaalsContact C-N 3.34Å; E466-A468 PolarHBondContact O-N 2.78Å; E466-Q469 PolarHBondContact O-N 3.33Å; E466-L470 WeakPolarHBondContact O-CB 3.18Å; E466-L470 WeakPolarHBondContact O-CG 2.94Å; E466-L470 PolarHBondContact O-N 3.24Å; E466-K498 IonicContact OE1-NZ 2.71Å; E466-K498 PolarHBondContact OE1-NZ 3.04Å; E466-K498 WeakPolarHBondContact OE2-CD 3.33Å; E466-K498 WeakPolarHBondContact OE2-CE 3.46Å; E466-K498 IonicContact OE2-NZ 3.51Å
467	E	84.9	Confident	73.4	Confident	5 Å²	5	79.4 Å²	79.4	2%	0.023	43%	0.425	C	S	.	.	H	α-helix	trans	-64.6	-37.4	175.5	-72.4	177.1	151.2	0	0	112.2	W463 T464 L470 L471 I493 K506	W463-E467 VanDerWaalsContact CA-OE2 3.29Å; W463-E467 WeakPolarHBondContact CA-OE2 3.36Å; W463-E467 HydrophobicContact CE3-CB 3.71Å; W463-E467 HydrophobicContact CZ3-CB 4.09Å; T464-E467 PolarHBondContact N-OE2 2.98Å; T464-E467 WeakPolarHBondContact O-CB 3.32Å; T464-E467 PolarHBondContact O-N 3.31Å; T464-E467 VanDerWaalsContact O-N 3.1Å; T464-E467 VanDerWaalsContact OG1-CG 3.29Å; T464-E467 WeakPolarHBondContact OG1-CG 3.42Å; T464-E467 PolarHBondContact OG1-N 3.01Å; T464-E467 VanDerWaalsContact OG1-N 3.12Å; E467-L470 PolarHBondContact O-N 2.9Å; E467-L471 WeakPolarHBondContact O-CB 3.44Å; E467-L471 PolarHBondContact O-N 2.83Å; E467-I493 HydrophobicContact CB-CG2 4.48Å; E467-I493 HydrophobicContact CG-CG2 4.36Å; E467-K506 WeakPolarHBondContact OE1-CE 3.49Å; E467-K506 IonicContact OE1-NZ 2.82Å; E467-K506 WeakPolarHBondContact OE2-CE 3.28Å; E467-K506 IonicContact OE2-NZ 3.21Å; E467-K506 PolarHBondContact OE2-NZ 2.71Å
468	A	86.3	Confident	76.2	Confident	20 Å²	20	76.6 Å²	76.6	17%	0.165	40%	0.402	C	S	.	.	H	α-helix	trans	-65.5	-40.2	174.5	0	0	0	0	0	111.9	T464 K465 E466 L471 V472 M514	T464-A468 PolarHBondContact O-N 2.79Å; K465-A468 PolarHBondContact O-N 3.37Å; E466-A468 VanDerWaalsContact C-N 3.34Å; E466-A468 PolarHBondContact O-N 2.78Å; A468-L471 WeakPolarHBondContact O-CB 3.45Å; A468-L471 PolarHBondContact O-N 2.88Å; A468-V472 WeakPolarHBondContact O-CG2 3.09Å; A468-V472 PolarHBondContact O-N 2.93Å; A468-M514 HydrophobicContact CB-CE 4.27Å
469	Q	86.4	Confident	78.5	Confident	123 Å²	123	74 Å²	74	58%	0.575	40%	0.399	S	S	*	.	H	α-helix	trans	-66.1	-42.3	174	-73.2	174.6	-9.5	0	0	112.1	K465 E466 L471 V472 R473	K465-Q469 WeakPolarHBondContact O-CG 3.21Å; K465-Q469 PolarHBondContact O-N 2.86Å; E466-Q469 PolarHBondContact O-N 3.33Å; Q469-L471 VanDerWaalsContact C-N 3.29Å; Q469-L471 PolarHBondContact O-N 3.44Å; Q469-V472 PolarHBondContact O-N 3.1Å; Q469-R473 PolarHBondContact O-N 3.43Å
470	L	89.5	Confident	80.7	Confident	31 Å²	31	73.9 Å²	73.9	16%	0.162	39%	0.389	C	S	.	.	H	α-helix	trans	-60.2	-39.9	173	-78.3	167.6	0	0	0	111.6	E466 E467 R473 A474 F492 I493 H496	E466-L470 WeakPolarHBondContact O-CB 3.18Å; E466-L470 WeakPolarHBondContact O-CG 2.94Å; E466-L470 PolarHBondContact O-N 3.24Å; E467-L470 PolarHBondContact O-N 2.9Å; L470-R473 PolarHBondContact O-N 3.21Å; L470-A474 WeakPolarHBondContact O-CB 3.45Å; L470-A474 PolarHBondContact O-N 3.45Å; L470-F492 HydrophobicContact CD2-CE1 4.07Å; L470-I493 HydrophobicContact CB-CG1 4.28Å; L470-H496 HydrophobicContact CD1-CB 4.04Å; L470-H496 HydrophobicContact CD2-CB 3.54Å; L470-H496 HydrophobicContact CG-CB 4.45Å
471	L	90	Very high	82.1	Confident	0 Å²	0	74 Å²	74	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-61.7	-47.7	174.6	173.6	60.8	0	0	0	112.1	W463 E467 A468 Q469 R473 A474 M475 I489 I493 V511 M514 L518	W463-L471 HydrophobicContact CH2-CD2 3.98Å; W463-L471 HydrophobicContact CZ3-CB 4.09Å; W463-L471 HydrophobicContact CZ3-CD2 3.93Å; E467-L471 WeakPolarHBondContact O-CB 3.44Å; E467-L471 PolarHBondContact O-N 2.83Å; A468-L471 WeakPolarHBondContact O-CB 3.45Å; A468-L471 PolarHBondContact O-N 2.88Å; Q469-L471 VanDerWaalsContact C-N 3.29Å; Q469-L471 PolarHBondContact O-N 3.44Å; L471-R473 VanDerWaalsContact C-N 3.33Å; L471-R473 PolarHBondContact O-N 2.87Å; L471-A474 PolarHBondContact O-N 3.49Å; L471-M475 HydrophobicContact CD1-CG 4.01Å; L471-M475 HydrophobicContact CD1-SD 4.03Å; L471-M475 HydrophobicContact CG-CG 4.45Å; L471-M475 HydrophobicContact CG-SD 4.01Å; L471-M475 WeakPolarHBondContact O-CB 3.49Å; L471-M475 VanDerWaalsContact O-CG 3.27Å; L471-M475 WeakPolarHBondContact O-CG 3.41Å; L471-M475 PolarHBondContact O-N 2.84Å; L471-I489 HydrophobicContact CD1-CG2 3.69Å; L471-I493 HydrophobicContact CB-CD1 3.85Å; L471-I493 HydrophobicContact CD1-CD1 3.88Å; L471-I493 HydrophobicContact CG-CD1 4.45Å; L471-V511 HydrophobicContact CD1-CG1 3.59Å; L471-M514 HydrophobicContact CD2-CB 3.69Å; L471-M514 HydrophobicContact CD2-CG 3.42Å; L471-M514 VanDerWaalsContact CD2-CG 3.42Å; L471-L518 HydrophobicContact CD2-CD1 3.74Å; L471-L518 HydrophobicContact CG-CD1 4.26Å
472	V	88.7	Confident	83	Confident	64 Å²	64	71 Å²	71	39%	0.388	39%	0.388	S	S	.	.	H	α-helix	trans	-60.2	-45.2	177.6	173.1	0	0	0	0	110.6	A468 Q469 A474 M475 Q476 L518	A468-V472 WeakPolarHBondContact O-CG2 3.09Å; A468-V472 PolarHBondContact O-N 2.93Å; Q469-V472 PolarHBondContact O-N 3.1Å; V472-A474 PolarHBondContact O-N 3.4Å; V472-M475 PolarHBondContact O-N 3.46Å; V472-Q476 PolarHBondContact O-N 3.41Å; V472-Q476 VanDerWaalsContact O-N 3.17Å; V472-L518 HydrophobicContact CG2-CD1 3.99Å
473	R	87.2	Confident	83.7	Confident	165 Å²	165	79.1 Å²	79.1	62%	0.623	42%	0.419	S	S	*	.	H	α-helix	trans	-61.6	-44.5	176.2	-172.6	174.5	-178.2	143.9	0.1	111.6	Q469 L470 L471 M475 Q476 L477	Q469-R473 PolarHBondContact O-N 3.43Å; L470-R473 PolarHBondContact O-N 3.21Å; L471-R473 VanDerWaalsContact C-N 3.33Å; L471-R473 PolarHBondContact O-N 2.87Å; R473-M475 PolarHBondContact O-N 2.85Å; R473-Q476 PolarHBondContact O-N 3.49Å; R473-L477 HydrophobicContact CG-CD1 4.15Å; R473-L477 WeakPolarHBondContact O-CG 3.23Å; R473-L477 PolarHBondContact O-N 3.1Å
474	A	89	Confident	84	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-66.4	-36.1	178.1	0	0	0	0	0	112.5	L470 L471 V472 Q476 L477 F478 I489 F492	L470-A474 WeakPolarHBondContact O-CB 3.45Å; L470-A474 PolarHBondContact O-N 3.45Å; L471-A474 PolarHBondContact O-N 3.49Å; V472-A474 PolarHBondContact O-N 3.4Å; A474-Q476 VanDerWaalsContact C-N 3.29Å; A474-Q476 PolarHBondContact O-N 2.98Å; A474-L477 PolarHBondContact O-N 2.79Å; A474-F478 HydrophobicContact CB-CD2 4.47Å; A474-F478 WeakPolarHBondContact O-CB 3.5Å; A474-F478 VanDerWaalsContact O-CD2 3.27Å; A474-F478 WeakPolarHBondContact O-CD2 3.23Å; A474-F478 PolarHBondContact O-N 2.82Å; A474-I489 HydrophobicContact CB-CB 4.38Å; A474-I489 HydrophobicContact CB-CG1 4.23Å; A474-I489 HydrophobicContact CB-CG2 3.69Å; A474-F492 HydrophobicContact CB-CD1 3.54Å; A474-F492 HydrophobicContact CB-CE1 3.98Å; A474-F492 HydrophobicContact CB-CG 4.21Å
475	M	88.5	Confident	84.3	Confident	44 Å²	44	79.2 Å²	79.2	22%	0.217	42%	0.421	C	S	.	.	H	α-helix	trans	-64.6	-33	175	-76.3	173.9	64.3	0	0	112.7	L471 V472 R473 F478 R485 I489 A515	L471-M475 HydrophobicContact CD1-CG 4.01Å; L471-M475 HydrophobicContact CD1-SD 4.03Å; L471-M475 HydrophobicContact CG-CG 4.45Å; L471-M475 HydrophobicContact CG-SD 4.01Å; L471-M475 WeakPolarHBondContact O-CB 3.49Å; L471-M475 VanDerWaalsContact O-CG 3.27Å; L471-M475 WeakPolarHBondContact O-CG 3.41Å; L471-M475 PolarHBondContact O-N 2.84Å; V472-M475 PolarHBondContact O-N 3.46Å; R473-M475 PolarHBondContact O-N 2.85Å; M475-F478 CarbonylContact O-C 3.58Å; M475-F478 VanDerWaalsContact O-O 3.1Å; M475-R485 PolarHBondContact O-NH2 3.49Å; M475-I489 HydrophobicContact CG-CD1 4.27Å; M475-A515 HydrophobicContact CE-CB 3.9Å; M475-A515 HydrophobicContact SD-CB 3.53Å; M475-A515 VanDerWaalsContact SD-CB 3.53Å
476	Q	84.6	Confident	84.9	Confident	156 Å²	156	74.6 Å²	74.6	73%	0.729	40%	0.399	S	S	*	.	H	α-helix	trans	-73.9	-40.4	172.8	-70.4	178.3	-2.5	0	0	112	V472 R473 A474	V472-Q476 PolarHBondContact O-N 3.41Å; V472-Q476 VanDerWaalsContact O-N 3.17Å; R473-Q476 PolarHBondContact O-N 3.49Å; A474-Q476 VanDerWaalsContact C-N 3.29Å; A474-Q476 PolarHBondContact O-N 2.98Å
477	L	86.6	Confident	85.5	Confident	98 Å²	98	75.3 Å²	75.3	51%	0.513	40%	0.402	S	S	.	.	H	α-helix	trans	-67.3	-36.8	176.9	-70.4	170.3	0	0	0	112.6	R473 A474 P479 F492	R473-L477 HydrophobicContact CG-CD1 4.15Å; R473-L477 WeakPolarHBondContact O-CG 3.23Å; R473-L477 PolarHBondContact O-N 3.1Å; A474-L477 PolarHBondContact O-N 2.79Å; L477-P479 WeakPolarHBondContact O-CD 3.3Å; L477-F492 HydrophobicContact CD1-CE2 3.92Å; L477-F492 HydrophobicContact CD1-CZ 3.79Å
478	F	88.2	Confident	85.7	Confident	74 Å²	74	77.7 Å²	77.7	33%	0.325	42%	0.417	S	S	.	.	S	Bend	trans	-115.6	88.1	-179.1	-57.5	-73.9	0	0	0	110.3	A474 M475 R485 I489 F492	A474-F478 HydrophobicContact CB-CD2 4.47Å; A474-F478 WeakPolarHBondContact O-CB 3.5Å; A474-F478 VanDerWaalsContact O-CD2 3.27Å; A474-F478 WeakPolarHBondContact O-CD2 3.23Å; A474-F478 PolarHBondContact O-N 2.82Å; M475-F478 CarbonylContact O-C 3.58Å; M475-F478 VanDerWaalsContact O-O 3.1Å; F478-R485 VanDerWaalsContact O-CZ 3.28Å; F478-R485 PolarHBondContact O-NE 3.47Å; F478-R485 PolarHBondContact O-NH2 3.35Å; F478-I489 HydrophobicContact CB-CD1 4.28Å; F478-I489 HydrophobicContact CB-CG1 4.01Å; F478-I489 HydrophobicContact CD2-CG1 3.93Å; F478-I489 HydrophobicContact CG-CG1 4.31Å; F478-F492 HydrophobicContact CE2-CB 4.27Å; F478-F492 HydrophobicContact CE2-CD2 4.27Å; F478-F492 HydrophobicContact CE2-CG 4.36Å
479	P	83.6	Confident	85.9	Confident	81 Å²	81	76.7 Å²	76.7	53%	0.526	41%	0.41	S	S	.	.			trans	-67.1	164.9	-177.9	26.5	-34.4	0	0	0	113.1	L477 R485	L477-P479 WeakPolarHBondContact O-CD 3.3Å; P479-R485 PolarHBondContact O-NE 2.67Å
480	A	81.6	Confident	86.1	Confident	82 Å²	82	71 Å²	71	68%	0.678	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	133.9	178.6	0	0	0	0	0	111.5
481	G	75.6	Confident	86	Confident	80 Å²	80	73 Å²	73	83%	0.825	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	144.1	-12.2	174.2	0	0	0	0	0	117.3
482	T	74.8	Confident	85.9	Confident	75 Å²	75	74.3 Å²	74.3	46%	0.46	40%	0.403	S	S	.	.			trans	-105.6	138.6	-177.4	-53.3	0	0	0	0	112	S484 R485	T482-S484 PolarHBondContact O-N 2.95Å; T482-S484 VanDerWaalsContact O-N 3.12Å; T482-R485 WeakPolarHBondContact O-CB 3.41Å; T482-R485 PolarHBondContact O-N 3.28Å
483	K	77.1	Confident	85.9	Confident	209 Å²	209	71.3 Å²	71.3	91%	0.909	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.8	-176.2	-66.6	-179.3	-179.7	176.7	0	115.2
484	S	81.5	Confident	85.9	Confident	65 Å²	65	65.6 Å²	65.6	46%	0.455	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	25.6	178.8	-53.3	0	0	0	0	112.7	T482 W486 E487 T488	T482-S484 PolarHBondContact O-N 2.95Å; T482-S484 VanDerWaalsContact O-N 3.12Å; S484-W486 VanDerWaalsContact C-N 3.29Å; S484-W486 PolarHBondContact O-N 2.94Å; S484-E487 WeakPolarHBondContact CA-OE2 3.38Å; S484-E487 PolarHBondContact O-N 3.19Å; S484-T488 PolarHBondContact O-N 2.95Å; S484-T488 VanDerWaalsContact O-N 3.12Å; S484-T488 PolarHBondContact O-OG1 2.71Å
485	R	87.9	Confident	85.7	Confident	35 Å²	35	71.8 Å²	71.8	13%	0.132	40%	0.395	C	S	.	.	H	α-helix	trans	-56.7	-43.9	-176.2	178.6	-174.6	-176	-156.7	3.8	111.8	M475 F478 P479 T482 T488 I489	M475-R485 PolarHBondContact O-NH2 3.49Å; F478-R485 VanDerWaalsContact O-CZ 3.28Å; F478-R485 PolarHBondContact O-NE 3.47Å; F478-R485 PolarHBondContact O-NH2 3.35Å; P479-R485 PolarHBondContact O-NE 2.67Å; T482-R485 WeakPolarHBondContact O-CB 3.41Å; T482-R485 PolarHBondContact O-N 3.28Å; R485-T488 WeakPolarHBondContact CA-OG1 3.2Å; R485-T488 PolarHBondContact O-N 2.76Å; R485-T488 PolarHBondContact O-OG1 3.28Å; R485-I489 HydrophobicContact CG-CD1 3.81Å; R485-I489 VanDerWaalsContact O-CG1 3.31Å; R485-I489 WeakPolarHBondContact O-CG1 3.27Å; R485-I489 PolarHBondContact O-N 3.37Å
486	W	92	Very high	85.4	Confident	74 Å²	74	74.8 Å²	74.8	28%	0.28	41%	0.409	S	S	.	.	H	α-helix	trans	-74	-32.6	-173	-59.1	120.9	0	0	0	112.1	S484 I489 A490 G508 V511 A512 A515	S484-W486 VanDerWaalsContact C-N 3.29Å; S484-W486 PolarHBondContact O-N 2.94Å; W486-I489 HydrophobicContact CE3-CD1 3.93Å; W486-I489 HydrophobicContact CZ3-CD1 4.02Å; W486-I489 PolarHBondContact O-N 3.31Å; W486-A490 VanDerWaalsContact O-CB 3.25Å; W486-A490 WeakPolarHBondContact O-CB 3.45Å; W486-A490 PolarHBondContact O-N 3.33Å; W486-G508 WeakPolarHBondContact CB-O 3.43Å; W486-G508 WeakPolarHBondContact O-CA 3.27Å; W486-V511 HydrophobicContact CE3-CG1 3.74Å; W486-V511 HydrophobicContact CZ3-CG1 4.25Å; W486-A512 HydrophobicContact CB-CB 4.39Å; W486-A512 HydrophobicContact CD2-CB 3.57Å; W486-A512 HydrophobicContact CE3-CB 4.07Å; W486-A512 HydrophobicContact CG-CB 3.72Å; W486-A512 HydrophobicContact CZ2-CB 4.21Å; W486-A515 HydrophobicContact CH2-CB 3.59Å; W486-A515 HydrophobicContact CZ3-CB 3.53Å
487	E	90.9	Very high	85.2	Confident	100 Å²	100	68.7 Å²	68.7	47%	0.467	38%	0.38	S	S	.	.	H	α-helix	trans	-63.8	-45.3	171.2	-65.1	72.7	-159.4	0	0	110.7	S484 I489 A490 T491	S484-E487 WeakPolarHBondContact CA-OE2 3.38Å; S484-E487 PolarHBondContact O-N 3.19Å; E487-I489 VanDerWaalsContact C-N 3.34Å; E487-I489 PolarHBondContact O-N 2.89Å; E487-A490 WeakPolarHBondContact O-CB 3.35Å; E487-A490 PolarHBondContact O-N 3.46Å; E487-T491 WeakPolarHBondContact O-CG2 3.13Å; E487-T491 PolarHBondContact O-N 3.24Å; E487-T491 PolarHBondContact O-OG1 2.85Å
488	T	88.9	Confident	84.6	Confident	55 Å²	55	70.7 Å²	70.7	34%	0.337	38%	0.384	S	S	.	.	H	α-helix	trans	-66	-33.8	177.7	51.2	0	0	0	0	113.6	S484 R485 T491 F492	S484-T488 PolarHBondContact O-N 2.95Å; S484-T488 VanDerWaalsContact O-N 3.12Å; S484-T488 PolarHBondContact O-OG1 2.71Å; R485-T488 WeakPolarHBondContact CA-OG1 3.2Å; R485-T488 PolarHBondContact O-N 2.76Å; R485-T488 PolarHBondContact O-OG1 3.28Å; T488-T491 WeakPolarHBondContact CA-OG1 3.47Å; T488-T491 PolarHBondContact O-OG1 3.28Å; T488-F492 WeakPolarHBondContact O-CB 3.44Å; T488-F492 PolarHBondContact O-N 3.23Å; T488-F492 VanDerWaalsContact O-N 3.16Å
489	I	91.3	Very high	83.1	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-72.4	-39	174.9	-68.2	169.8	0	0	0	110	L471 A474 M475 F478 R485 W486 E487 F492 I493 V511	L471-I489 HydrophobicContact CD1-CG2 3.69Å; A474-I489 HydrophobicContact CB-CB 4.38Å; A474-I489 HydrophobicContact CB-CG1 4.23Å; A474-I489 HydrophobicContact CB-CG2 3.69Å; M475-I489 HydrophobicContact CG-CD1 4.27Å; F478-I489 HydrophobicContact CB-CD1 4.28Å; F478-I489 HydrophobicContact CB-CG1 4.01Å; F478-I489 HydrophobicContact CD2-CG1 3.93Å; F478-I489 HydrophobicContact CG-CG1 4.31Å; R485-I489 HydrophobicContact CG-CD1 3.81Å; R485-I489 VanDerWaalsContact O-CG1 3.31Å; R485-I489 WeakPolarHBondContact O-CG1 3.27Å; R485-I489 PolarHBondContact O-N 3.37Å; W486-I489 HydrophobicContact CE3-CD1 3.93Å; W486-I489 HydrophobicContact CZ3-CD1 4.02Å; W486-I489 PolarHBondContact O-N 3.31Å; E487-I489 VanDerWaalsContact C-N 3.34Å; E487-I489 PolarHBondContact O-N 2.89Å; I489-F492 PolarHBondContact O-N 2.96Å; I489-I493 HydrophobicContact CG2-CD1 3.8Å; I489-I493 HydrophobicContact CG2-CG1 4.41Å; I489-I493 WeakPolarHBondContact O-CG1 3.35Å; I489-I493 PolarHBondContact O-N 3.15Å; I489-V511 HydrophobicContact CB-CG1 3.82Å; I489-V511 HydrophobicContact CG2-CG1 3.27Å
490	A	89.7	Confident	81.7	Confident	4 Å²	4	81.8 Å²	81.8	3%	0.033	42%	0.422	C	S	.	.	H	α-helix	trans	-62.7	-42.7	176.8	0	0	0	0	0	112.3	W486 E487 I493 N494 V511	W486-A490 VanDerWaalsContact O-CB 3.25Å; W486-A490 WeakPolarHBondContact O-CB 3.45Å; W486-A490 PolarHBondContact O-N 3.33Å; E487-A490 WeakPolarHBondContact O-CB 3.35Å; E487-A490 PolarHBondContact O-N 3.46Å; A490-I493 PolarHBondContact O-N 3.16Å; A490-N494 WeakPolarHBondContact O-CB 3.44Å; A490-N494 VanDerWaalsContact O-CG 3.26Å; A490-N494 PolarHBondContact O-N 3.47Å; A490-N494 PolarHBondContact O-ND2 3.47Å; A490-V511 HydrophobicContact CB-CG2 3.71Å
491	T	87.7	Confident	80.3	Confident	73 Å²	73	79.4 Å²	79.4	45%	0.448	40%	0.402	S	S	.	.	H	α-helix	trans	-61.8	-46.7	173.9	53.8	0	0	0	0	111.1	E487 T488 I493 N494 E495	E487-T491 WeakPolarHBondContact O-CG2 3.13Å; E487-T491 PolarHBondContact O-N 3.24Å; E487-T491 PolarHBondContact O-OG1 2.85Å; T488-T491 WeakPolarHBondContact CA-OG1 3.47Å; T488-T491 PolarHBondContact O-OG1 3.28Å; T491-I493 PolarHBondContact O-N 2.99Å; T491-N494 PolarHBondContact O-N 3.29Å; T491-N494 VanDerWaalsContact O-N 3.14Å; T491-E495 WeakPolarHBondContact O-CG 3.44Å; T491-E495 PolarHBondContact O-N 3.37Å
492	F	88.9	Confident	79.1	Confident	27 Å²	27	80 Å²	80	12%	0.118	39%	0.39	C	S	.	.	H	α-helix	trans	-57.4	-45.1	177.5	-178.3	-89	0	0	0	112.8	L470 A474 L477 F478 T488 I489 N494 E495 H496	L470-F492 HydrophobicContact CD2-CE1 4.07Å; A474-F492 HydrophobicContact CB-CD1 3.54Å; A474-F492 HydrophobicContact CB-CE1 3.98Å; A474-F492 HydrophobicContact CB-CG 4.21Å; L477-F492 HydrophobicContact CD1-CE2 3.92Å; L477-F492 HydrophobicContact CD1-CZ 3.79Å; F478-F492 HydrophobicContact CE2-CB 4.27Å; F478-F492 HydrophobicContact CE2-CD2 4.27Å; F478-F492 HydrophobicContact CE2-CG 4.36Å; T488-F492 WeakPolarHBondContact O-CB 3.44Å; T488-F492 PolarHBondContact O-N 3.23Å; T488-F492 VanDerWaalsContact O-N 3.16Å; I489-F492 PolarHBondContact O-N 2.96Å; F492-N494 VanDerWaalsContact C-N 3.35Å; F492-N494 PolarHBondContact O-N 3.43Å; F492-E495 PolarHBondContact O-N 3.02Å; F492-H496 AromaticContact CD1-CD2 3.98Å; F492-H496 AromaticContact CD2-CD2 3.51Å; F492-H496 AromaticContact CD2-NE2 3.72Å; F492-H496 AromaticContact CE1-CD2 3.81Å; F492-H496 AromaticContact CE2-CD2 3.31Å; F492-H496 WeakPolarHBondContact CE2-CD2 3.47Å; F492-H496 AromaticContact CE2-NE2 3.26Å; F492-H496 VanDerWaalsContact CE2-NE2 3.26Å; F492-H496 WeakPolarHBondContact CE2-NE2 3.4Å; F492-H496 AromaticContact CG-CD2 3.86Å; F492-H496 AromaticContact CZ-CD2 3.47Å; F492-H496 VanDerWaalsContact CZ-CD2 3.47Å; F492-H496 WeakPolarHBondContact CZ-CD2 3.42Å; F492-H496 AromaticContact CZ-NE2 3.73Å; F492-H496 WeakPolarHBondContact O-CB 3.37Å; F492-H496 PolarHBondContact O-CD2 3.08Å; F492-H496 VanDerWaalsContact O-CD2 3.25Å; F492-H496 PolarHBondContact O-N 2.85Å
493	I	88.6	Confident	78	Confident	0 Å²	0	86.4 Å²	86.4	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-64.9	-41.2	178	-66.2	164.8	0	0	0	110.9	W463 E467 L470 L471 I489 A490 T491 E495 H496 K497 K506 V511	W463-I493 HydrophobicContact CH2-CD1 3.94Å; W463-I493 HydrophobicContact CZ3-CD1 4.09Å; E467-I493 HydrophobicContact CB-CG2 4.48Å; E467-I493 HydrophobicContact CG-CG2 4.36Å; L470-I493 HydrophobicContact CB-CG1 4.28Å; L471-I493 HydrophobicContact CB-CD1 3.85Å; L471-I493 HydrophobicContact CD1-CD1 3.88Å; L471-I493 HydrophobicContact CG-CD1 4.45Å; I489-I493 HydrophobicContact CG2-CD1 3.8Å; I489-I493 HydrophobicContact CG2-CG1 4.41Å; I489-I493 WeakPolarHBondContact O-CG1 3.35Å; I489-I493 PolarHBondContact O-N 3.15Å; A490-I493 PolarHBondContact O-N 3.16Å; T491-I493 PolarHBondContact O-N 2.99Å; I493-E495 VanDerWaalsContact C-N 3.32Å; I493-E495 PolarHBondContact O-N 3.11Å; I493-H496 PolarHBondContact O-N 3.32Å; I493-K497 WeakPolarHBondContact O-CB 3.44Å; I493-K497 WeakPolarHBondContact O-CG 3.3Å; I493-K497 PolarHBondContact O-N 2.8Å; I493-K506 HydrophobicContact CG2-CG 4.09Å; I493-V511 HydrophobicContact CD1-CG1 4.45Å; I493-V511 HydrophobicContact CD1-CG2 4.01Å
494	N	86.4	Confident	77.4	Confident	46 Å²	46	80 Å²	80	25%	0.246	39%	0.392	C	S	.	.	H	α-helix	trans	-69.1	-28.9	179.5	-72	-36.3	0	0	0	113.4	A490 T491 F492 K497 A505 K506	A490-N494 WeakPolarHBondContact O-CB 3.44Å; A490-N494 VanDerWaalsContact O-CG 3.26Å; A490-N494 PolarHBondContact O-N 3.47Å; A490-N494 PolarHBondContact O-ND2 3.47Å; T491-N494 PolarHBondContact O-N 3.29Å; T491-N494 VanDerWaalsContact O-N 3.14Å; F492-N494 VanDerWaalsContact C-N 3.35Å; F492-N494 PolarHBondContact O-N 3.43Å; N494-K497 PolarHBondContact OD1-NZ 3.16Å; N494-A505 WeakPolarHBondContact OD1-CA 3.25Å; N494-K506 PolarHBondContact ND2-N 3.31Å; N494-K506 PolarHBondContact ND2-O 3.42Å; N494-K506 PolarHBondContact OD1-N 3.25Å
495	E	84.4	Confident	77.2	Confident	130 Å²	130	80 Å²	80	61%	0.607	40%	0.396	S	S	*	.	H	α-helix	trans	-77.4	-34.7	175.9	-74.1	170.7	-172.2	0	0	112.4	T491 F492 I493	T491-E495 WeakPolarHBondContact O-CG 3.44Å; T491-E495 PolarHBondContact O-N 3.37Å; F492-E495 PolarHBondContact O-N 3.02Å; I493-E495 VanDerWaalsContact C-N 3.32Å; I493-E495 PolarHBondContact O-N 3.11Å
496	H	83.4	Confident	76.9	Confident	107 Å²	107	78.6 Å²	78.6	50%	0.495	39%	0.391	S	S	.	.	H	α-helix	trans	-99	-4.8	-174.1	-74.1	-71.9	0	0	0	115.1	L470 F492 I493	L470-H496 HydrophobicContact CD1-CB 4.04Å; L470-H496 HydrophobicContact CD2-CB 3.54Å; L470-H496 HydrophobicContact CG-CB 4.45Å; F492-H496 AromaticContact CD1-CD2 3.98Å; F492-H496 AromaticContact CD2-CD2 3.51Å; F492-H496 AromaticContact CD2-NE2 3.72Å; F492-H496 AromaticContact CE1-CD2 3.81Å; F492-H496 AromaticContact CE2-CD2 3.31Å; F492-H496 WeakPolarHBondContact CE2-CD2 3.47Å; F492-H496 AromaticContact CE2-NE2 3.26Å; F492-H496 VanDerWaalsContact CE2-NE2 3.26Å; F492-H496 WeakPolarHBondContact CE2-NE2 3.4Å; F492-H496 AromaticContact CG-CD2 3.86Å; F492-H496 AromaticContact CZ-CD2 3.47Å; F492-H496 VanDerWaalsContact CZ-CD2 3.47Å; F492-H496 WeakPolarHBondContact CZ-CD2 3.42Å; F492-H496 AromaticContact CZ-NE2 3.73Å; F492-H496 WeakPolarHBondContact O-CB 3.37Å; F492-H496 PolarHBondContact O-CD2 3.08Å; F492-H496 VanDerWaalsContact O-CD2 3.25Å; F492-H496 PolarHBondContact O-N 2.85Å; I493-H496 PolarHBondContact O-N 3.32Å
497	K	81	Confident	76.6	Confident	28 Å²	28	78.7 Å²	78.7	12%	0.122	40%	0.399	C	S	.	.	S	Bend	trans	-73.6	147.3	173.3	66.4	-176.8	-177	170	0	111.2	I493 N494 A501 C504	I493-K497 WeakPolarHBondContact O-CB 3.44Å; I493-K497 WeakPolarHBondContact O-CG 3.3Å; I493-K497 PolarHBondContact O-N 2.8Å; N494-K497 PolarHBondContact OD1-NZ 3.16Å; K497-A501 HydrophobicContact CD-CB 3.94Å; K497-A501 WeakPolarHBondContact CE-O 3.29Å; K497-A501 HydrophobicContact CG-CB 4.36Å; K497-A501 PolarHBondContact NZ-O 2.95Å; K497-C504 PolarHBondContact NZ-O 3.12Å
498	K	72.5	Confident	76.3	Confident	140 Å²	140	74.4 Å²	74.4	61%	0.609	38%	0.382	S	S	*	.			trans	-62.5	147.8	176.2	-67.4	175.7	-178	163.6	0	111.3	E466 E500 A501	E466-K498 IonicContact OE1-NZ 2.71Å; E466-K498 PolarHBondContact OE1-NZ 3.04Å; E466-K498 WeakPolarHBondContact OE2-CD 3.33Å; E466-K498 WeakPolarHBondContact OE2-CE 3.46Å; E466-K498 IonicContact OE2-NZ 3.51Å; K498-E500 PolarHBondContact O-N 2.96Å; K498-A501 PolarHBondContact O-N 3.36Å
499	Y	58.2	Low	76.1	Confident	217 Å²	217	80.6 Å²	80.6	85%	0.851	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-58.3	-24.1	-167.7	-149.1	-98	0	0	0	114.8	A501 V502	Y499-A501 PolarHBondContact O-N 3.28Å; Y499-V502 WeakPolarHBondContact O-CG2 3.38Å; Y499-V502 PolarHBondContact O-N 2.98Å
500	E	54.1	Low	75.9	Confident	171 Å²	171	84.4 Å²	84.4	80%	0.799	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-69.9	-16.8	176.8	-70.2	-156.3	151.1	0	0	114.1	K498 V502	K498-E500 PolarHBondContact O-N 2.96Å; E500-V502 VanDerWaalsContact C-N 3.3Å; E500-V502 PolarHBondContact O-N 3.45Å
501	A	51.6	Low	75.8	Confident	31 Å²	31	84.2 Å²	84.2	26%	0.256	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-87.6	12.6	179.6	0	0	0	0	0	114.2	K497 K498 Y499 K503 C504	K497-A501 HydrophobicContact CD-CB 3.94Å; K497-A501 WeakPolarHBondContact CE-O 3.29Å; K497-A501 HydrophobicContact CG-CB 4.36Å; K497-A501 PolarHBondContact NZ-O 2.95Å; K498-A501 PolarHBondContact O-N 3.36Å; Y499-A501 PolarHBondContact O-N 3.28Å; A501-K503 PolarHBondContact O-N 2.97Å; A501-K503 VanDerWaalsContact O-N 3.16Å; A501-C504 PolarHBondContact O-N 3.49Å
502	V	49.3	Very low	75.8	Confident	93 Å²	93	81.5 Å²	81.5	56%	0.564	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-62.7	-21.3	-175.3	168.2	0	0	0	0	113.4	Y499 E500 C504	Y499-V502 WeakPolarHBondContact O-CG2 3.38Å; Y499-V502 PolarHBondContact O-N 2.98Å; E500-V502 VanDerWaalsContact C-N 3.3Å; E500-V502 PolarHBondContact O-N 3.45Å; V502-C504 VanDerWaalsContact C-N 3.31Å; V502-C504 PolarHBondContact O-N 3.13Å
503	K	53.4	Low	75.6	Confident	210 Å²	210	81.8 Å²	81.8	91%	0.913	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-73.9	-11.1	-180	-72.2	-173.7	179	177.7	0	115.6	A501	A501-K503 PolarHBondContact O-N 2.97Å; A501-K503 VanDerWaalsContact O-N 3.16Å
504	C	64.7	Low	75.4	Confident	74 Å²	74	82.8 Å²	82.8	50%	0.5	42%	0.421	S	S	.	.			trans	-131.4	82.5	176.6	-91	0	0	0	0	111.2	K497 A501 V502 K506	K497-C504 PolarHBondContact NZ-O 3.12Å; A501-C504 PolarHBondContact O-N 3.49Å; V502-C504 VanDerWaalsContact C-N 3.31Å; V502-C504 PolarHBondContact O-N 3.13Å; C504-K506 PolarHBondContact O-N 3.04Å
505	A	75.6	Confident	75.4	Confident	64 Å²	64	80.7 Å²	80.7	53%	0.529	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-63.2	124.9	168.7	0	0	0	0	0	109.9	N494	N494-A505 WeakPolarHBondContact OD1-CA 3.25Å
506	K	82.2	Confident	75.5	Confident	6 Å²	6	82 Å²	82	3%	0.026	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-72.4	135.7	175.3	-55.6	-59.7	-178.9	164.7	0	109.3	S462 W463 E467 I493 N494 C504 V511	S462-K506 PolarHBondContact O-NZ 3.32Å; W463-K506 HydrophobicContact CH2-CD 4.36Å; W463-K506 HydrophobicContact CH2-CG 4.34Å; W463-K506 HydrophobicContact CZ2-CD 3.95Å; W463-K506 HydrophobicContact CZ2-CG 4.35Å; E467-K506 WeakPolarHBondContact OE1-CE 3.49Å; E467-K506 IonicContact OE1-NZ 2.82Å; E467-K506 WeakPolarHBondContact OE2-CE 3.28Å; E467-K506 IonicContact OE2-NZ 3.21Å; E467-K506 PolarHBondContact OE2-NZ 2.71Å; I493-K506 HydrophobicContact CG2-CG 4.09Å; N494-K506 PolarHBondContact ND2-N 3.31Å; N494-K506 PolarHBondContact ND2-O 3.42Å; N494-K506 PolarHBondContact OD1-N 3.25Å; C504-K506 PolarHBondContact O-N 3.04Å; K506-V511 HydrophobicContact CB-CG2 4.14Å
507	T	86.3	Confident	75.4	Confident	76 Å²	76	84.6 Å²	84.6	47%	0.466	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-99.1	157.5	173.6	58.5	0	0	0	0	110.7	K509 Q510 V511	T507-K509 PolarHBondContact O-N 3.08Å; T507-K509 VanDerWaalsContact O-N 3.11Å; T507-Q510 PolarHBondContact O-N 3.31Å; T507-Q510 WeakPolarHBondContact OG1-CG 3.33Å; T507-Q510 PolarHBondContact OG1-OE1 3.44Å; T507-Q510 VanDerWaalsContact OG1-OE1 3.08Å; T507-V511 WeakPolarHBondContact O-CG2 3.46Å; T507-V511 PolarHBondContact O-N 3.44Å; T507-V511 VanDerWaalsContact O-N 3.07Å
508	G	84.8	Confident	75.6	Confident	10 Å²	10	85 Å²	85	10%	0.103	42%	0.423	C	S	.	.	H	α-helix	trans	-53.9	-34	177.8	0	0	0	0	0	113.5	W486 A512	W486-G508 WeakPolarHBondContact CB-O 3.43Å; W486-G508 WeakPolarHBondContact O-CA 3.27Å; G508-A512 WeakPolarHBondContact O-CB 3.07Å; G508-A512 PolarHBondContact O-N 2.99Å
509	K	84.4	Confident	75.9	Confident	185 Å²	185	83.8 Å²	83.8	80%	0.804	42%	0.419	S	S	*	.	H	α-helix	trans	-64.7	-43.9	174.9	-73.4	-175.4	-179	175.5	0	113	T507 A512 G513	T507-K509 PolarHBondContact O-N 3.08Å; T507-K509 VanDerWaalsContact O-N 3.11Å; K509-A512 PolarHBondContact O-N 3.45Å; K509-G513 PolarHBondContact O-N 2.93Å
510	Q	85.9	Confident	76.9	Confident	80 Å²	80	79.9 Å²	79.9	37%	0.374	41%	0.407	S	S	.	.	H	α-helix	trans	-66.1	-42.7	179.2	-72.3	167.4	-41.7	0	0	111.2	W463 T507 G513 M514	W463-Q510 HydrophobicContact CZ2-CB 4.42Å; T507-Q510 PolarHBondContact O-N 3.31Å; T507-Q510 WeakPolarHBondContact OG1-CG 3.33Å; T507-Q510 PolarHBondContact OG1-OE1 3.44Å; T507-Q510 VanDerWaalsContact OG1-OE1 3.08Å; Q510-G513 PolarHBondContact O-N 2.94Å; Q510-M514 WeakPolarHBondContact O-CB 3.11Å; Q510-M514 PolarHBondContact O-N 3.1Å
511	V	89.4	Confident	78	Confident	0 Å²	0	75 Å²	75	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-59.8	-48.3	175.6	172.8	0	0	0	0	111.3	W463 L471 W486 I489 A490 I493 K506 T507 G513 M514 A515	W463-V511 HydrophobicContact CH2-CG2 4.08Å; W463-V511 HydrophobicContact CZ2-CG2 4.37Å; L471-V511 HydrophobicContact CD1-CG1 3.59Å; W486-V511 HydrophobicContact CE3-CG1 3.74Å; W486-V511 HydrophobicContact CZ3-CG1 4.25Å; I489-V511 HydrophobicContact CB-CG1 3.82Å; I489-V511 HydrophobicContact CG2-CG1 3.27Å; A490-V511 HydrophobicContact CB-CG2 3.71Å; I493-V511 HydrophobicContact CD1-CG1 4.45Å; I493-V511 HydrophobicContact CD1-CG2 4.01Å; K506-V511 HydrophobicContact CB-CG2 4.14Å; T507-V511 WeakPolarHBondContact O-CG2 3.46Å; T507-V511 PolarHBondContact O-N 3.44Å; T507-V511 VanDerWaalsContact O-N 3.07Å; V511-G513 VanDerWaalsContact C-N 3.29Å; V511-G513 PolarHBondContact O-N 3.47Å; V511-M514 PolarHBondContact O-N 3.33Å; V511-A515 VanDerWaalsContact O-CB 3.29Å; V511-A515 WeakPolarHBondContact O-CB 3.12Å; V511-A515 PolarHBondContact O-N 3.44Å
512	A	86.3	Confident	79.1	Confident	17 Å²	17	75.7 Å²	75.7	14%	0.14	39%	0.394	C	S	.	.	H	α-helix	trans	-61.6	-38.5	178.1	0	0	0	0	0	112.2	W486 G508 K509 K516	W486-A512 HydrophobicContact CB-CB 4.39Å; W486-A512 HydrophobicContact CD2-CB 3.57Å; W486-A512 HydrophobicContact CE3-CB 4.07Å; W486-A512 HydrophobicContact CG-CB 3.72Å; W486-A512 HydrophobicContact CZ2-CB 4.21Å; G508-A512 WeakPolarHBondContact O-CB 3.07Å; G508-A512 PolarHBondContact O-N 2.99Å; K509-A512 PolarHBondContact O-N 3.45Å; A512-K516 WeakPolarHBondContact O-CG 3.38Å; A512-K516 PolarHBondContact O-N 3.36Å; A512-K516 VanDerWaalsContact O-N 3.15Å
513	G	84.7	Confident	80	Confident	32 Å²	32	74.5 Å²	74.5	33%	0.33	38%	0.384	S	S	.	.	H	α-helix	trans	-64.1	-49.2	175	0	0	0	0	0	112.4	K509 Q510 V511 K516 R517	K509-G513 PolarHBondContact O-N 2.93Å; Q510-G513 PolarHBondContact O-N 2.94Å; V511-G513 VanDerWaalsContact C-N 3.29Å; V511-G513 PolarHBondContact O-N 3.47Å; G513-K516 PolarHBondContact O-N 3.21Å; G513-R517 WeakPolarHBondContact O-CG 3.31Å; G513-R517 PolarHBondContact O-N 3.23Å; G513-R517 VanDerWaalsContact O-N 3.1Å
514	M	84.5	Confident	80.8	Confident	22 Å²	22	68.2 Å²	68.2	11%	0.108	36%	0.361	C	S	.	.	H	α-helix	trans	-64.8	-40	178.9	-171.9	61.2	175	0	0	112	W463 A468 L471 Q510 V511 K516 R517 L518	W463-M514 HydrophobicContact CB-CE 4.27Å; W463-M514 HydrophobicContact CD2-CB 4.27Å; W463-M514 HydrophobicContact CD2-CG 3.84Å; W463-M514 HydrophobicContact CD2-SD 4.37Å; W463-M514 HydrophobicContact CE3-CG 3.99Å; W463-M514 HydrophobicContact CG-CE 4.39Å; W463-M514 HydrophobicContact CG-CG 4.38Å; W463-M514 HydrophobicContact CG-SD 4.29Å; W463-M514 HydrophobicContact CH2-CB 4.08Å; W463-M514 HydrophobicContact CH2-CG 4.23Å; W463-M514 HydrophobicContact CZ2-CB 3.67Å; W463-M514 HydrophobicContact CZ2-CG 4.09Å; W463-M514 HydrophobicContact CZ3-CG 4.18Å; A468-M514 HydrophobicContact CB-CE 4.27Å; L471-M514 HydrophobicContact CD2-CB 3.69Å; L471-M514 HydrophobicContact CD2-CG 3.42Å; L471-M514 VanDerWaalsContact CD2-CG 3.42Å; Q510-M514 WeakPolarHBondContact O-CB 3.11Å; Q510-M514 PolarHBondContact O-N 3.1Å; V511-M514 PolarHBondContact O-N 3.33Å; M514-K516 PolarHBondContact O-N 3.17Å; M514-R517 WeakPolarHBondContact O-CB 3.45Å; M514-R517 PolarHBondContact O-N 3.25Å; M514-R517 VanDerWaalsContact O-N 3.13Å; M514-L518 HydrophobicContact CE-CD2 4.47Å; M514-L518 HydrophobicContact CE-CG 4.41Å; M514-L518 HydrophobicContact CG-CD1 4.49Å; M514-L518 PolarHBondContact O-N 3.46Å
515	A	87.5	Confident	80.8	Confident	2 Å²	2	66.9 Å²	66.9	2%	0.017	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-42.9	175.8	0	0	0	0	0	112.2	M475 W486 V511 R517 L518 Q519	M475-A515 HydrophobicContact CE-CB 3.9Å; M475-A515 HydrophobicContact SD-CB 3.53Å; M475-A515 VanDerWaalsContact SD-CB 3.53Å; W486-A515 HydrophobicContact CH2-CB 3.59Å; W486-A515 HydrophobicContact CZ3-CB 3.53Å; V511-A515 VanDerWaalsContact O-CB 3.29Å; V511-A515 WeakPolarHBondContact O-CB 3.12Å; V511-A515 PolarHBondContact O-N 3.44Å; A515-R517 VanDerWaalsContact C-N 3.32Å; A515-R517 PolarHBondContact O-N 3.45Å; A515-L518 PolarHBondContact O-N 3.43Å; A515-Q519 WeakPolarHBondContact O-CB 3.48Å; A515-Q519 PolarHBondContact O-N 3.38Å
516	K	85.5	Confident	80	Confident	156 Å²	156	70.4 Å²	70.4	68%	0.678	36%	0.358	S	S	*	.	H	α-helix	trans	-63.1	-37.6	174	-78.4	-178.3	178.8	-176.2	0	112.3	A512 G513 M514 K520	A512-K516 WeakPolarHBondContact O-CG 3.38Å; A512-K516 PolarHBondContact O-N 3.36Å; A512-K516 VanDerWaalsContact O-N 3.15Å; G513-K516 PolarHBondContact O-N 3.21Å; M514-K516 PolarHBondContact O-N 3.17Å; K516-K520 WeakPolarHBondContact O-CB 3.45Å; K516-K520 PolarHBondContact O-N 2.82Å
517	R	81.8	Confident	78.5	Confident	163 Å²	163	75.2 Å²	75.2	62%	0.615	39%	0.385	S	S	*	.	H	α-helix	trans	-66.5	-47.8	176.3	-70.2	-179.7	-171.3	-83.9	6	111.6	G513 M514 A515 Q519 K520 V521	G513-R517 WeakPolarHBondContact O-CG 3.31Å; G513-R517 PolarHBondContact O-N 3.23Å; G513-R517 VanDerWaalsContact O-N 3.1Å; M514-R517 WeakPolarHBondContact O-CB 3.45Å; M514-R517 PolarHBondContact O-N 3.25Å; M514-R517 VanDerWaalsContact O-N 3.13Å; A515-R517 VanDerWaalsContact C-N 3.32Å; A515-R517 PolarHBondContact O-N 3.45Å; R517-Q519 VanDerWaalsContact C-N 3.27Å; R517-Q519 PolarHBondContact O-N 2.83Å; R517-K520 PolarHBondContact O-N 2.82Å; R517-V521 WeakPolarHBondContact O-CG2 2.99Å; R517-V521 PolarHBondContact O-N 3.02Å
518	L	83.9	Confident	76.9	Confident	37 Å²	37	76.6 Å²	76.6	19%	0.194	39%	0.393	C	S	.	.	H	α-helix	trans	-60.2	-38.6	176.2	-73.8	173.6	0	0	0	111.9	L471 V472 M514 A515 A522	L471-L518 HydrophobicContact CD2-CD1 3.74Å; L471-L518 HydrophobicContact CG-CD1 4.26Å; V472-L518 HydrophobicContact CG2-CD1 3.99Å; M514-L518 HydrophobicContact CE-CD2 4.47Å; M514-L518 HydrophobicContact CE-CG 4.41Å; M514-L518 HydrophobicContact CG-CD1 4.49Å; M514-L518 PolarHBondContact O-N 3.46Å; A515-L518 PolarHBondContact O-N 3.43Å; L518-A522 WeakPolarHBondContact O-CB 3.46Å; L518-A522 PolarHBondContact O-N 3.12Å
519	Q	80	Confident	74.9	Confident	114 Å²	114	83 Å²	83	53%	0.533	42%	0.423	S	S	.	.	H	α-helix	trans	-64.4	-46.7	174.5	-175.3	168.6	2.4	0	0	111.4	A515 R517 V521 A522 D523	A515-Q519 WeakPolarHBondContact O-CB 3.48Å; A515-Q519 PolarHBondContact O-N 3.38Å; R517-Q519 VanDerWaalsContact C-N 3.27Å; R517-Q519 PolarHBondContact O-N 2.83Å; Q519-V521 PolarHBondContact O-N 3.44Å; Q519-A522 PolarHBondContact O-N 3.28Å; Q519-A522 VanDerWaalsContact O-N 3.15Å; Q519-D523 PolarHBondContact O-N 2.88Å
520	K	78.7	Confident	72.9	Confident	135 Å²	135	78 Å²	78	59%	0.587	42%	0.417	S	S	*	.	H	α-helix	trans	-58.9	-45.8	176.4	-173.9	179.5	176.9	-175.8	0	112.1	K516 R517 A522 D523 D524	K516-K520 WeakPolarHBondContact O-CB 3.45Å; K516-K520 PolarHBondContact O-N 2.82Å; R517-K520 PolarHBondContact O-N 2.82Å; K520-A522 VanDerWaalsContact C-N 3.29Å; K520-A522 PolarHBondContact O-N 3.01Å; K520-D523 PolarHBondContact O-N 3.33Å; K520-D523 VanDerWaalsContact O-N 3.14Å; K520-D524 WeakPolarHBondContact O-CB 3.36Å; K520-D524 PolarHBondContact O-N 3.3Å
521	V	78.1	Confident	70.5	Confident	67 Å²	67	81 Å²	81	41%	0.406	44%	0.436	S	S	.	.	H	α-helix	trans	-62.7	-37.4	177.2	173.4	0	0	0	0	111.5	F458 R517 Q519 D523 A525	F458-V521 HydrophobicContact CE1-CG2 4.3Å; F458-V521 HydrophobicContact CZ-CG1 4.38Å; R517-V521 WeakPolarHBondContact O-CG2 2.99Å; R517-V521 PolarHBondContact O-N 3.02Å; Q519-V521 PolarHBondContact O-N 3.44Å; V521-D523 VanDerWaalsContact C-N 3.35Å; V521-A525 VanDerWaalsContact O-CB 3.27Å; V521-A525 WeakPolarHBondContact O-CB 3.33Å; V521-A525 PolarHBondContact O-N 2.93Å
522	A	74.5	Confident	67.7	Low	47 Å²	47	84.4 Å²	84.4	39%	0.388	47%	0.47	S	S	.	.	H	α-helix	trans	-70.1	-31.4	175.2	0	0	0	0	0	113	L518 Q519 K520 K526	L518-A522 WeakPolarHBondContact O-CB 3.46Å; L518-A522 PolarHBondContact O-N 3.12Å; Q519-A522 PolarHBondContact O-N 3.28Å; Q519-A522 VanDerWaalsContact O-N 3.15Å; K520-A522 VanDerWaalsContact C-N 3.29Å; K520-A522 PolarHBondContact O-N 3.01Å; A522-K526 WeakPolarHBondContact O-CG 3.26Å; A522-K526 PolarHBondContact O-N 3.24Å
523	D	68.4	Low	64.9	Low	67 Å²	67	89.3 Å²	89.3	36%	0.358	50%	0.504	S	S	.	.	H	α-helix	trans	-72.1	-46.7	174.4	-63.9	-27.5	0	0	0	109.9	Q519 K520 V521 A525 K526 D527	Q519-D523 PolarHBondContact O-N 2.88Å; K520-D523 PolarHBondContact O-N 3.33Å; K520-D523 VanDerWaalsContact O-N 3.14Å; V521-D523 VanDerWaalsContact C-N 3.35Å; D523-A525 VanDerWaalsContact C-N 3.28Å; D523-A525 PolarHBondContact O-N 3.06Å; D523-K526 WeakPolarHBondContact O-CB 3.31Å; D523-K526 PolarHBondContact O-N 3.39Å; D523-D527 PolarHBondContact O-N 3.15Å
524	D	69.5	Low	62.3	Low	78 Å²	78	93.3 Å²	93.3	42%	0.417	52%	0.524	S	S	.	.	H	α-helix	trans	-59.6	-37.2	174.9	-62.2	-23.8	0	0	0	111.6	K520 K526 D527 T528	K520-D524 WeakPolarHBondContact O-CB 3.36Å; K520-D524 PolarHBondContact O-N 3.3Å; D524-K526 VanDerWaalsContact C-N 3.35Å; D524-D527 PolarHBondContact O-N 2.76Å; D524-T528 PolarHBondContact O-N 2.8Å; D524-T528 VanDerWaalsContact O-N 3.13Å; D524-T528 PolarHBondContact O-OG1 3.49Å
525	A	65.2	Low	59.5	Low	46 Å²	46	99.9 Å²	99.9	38%	0.38	56%	0.558	S	S	.	*	H	α-helix	trans	-71.3	-25.9	175.7	0	0	0	0	0	113.4	V521 D523 T528 I529	V521-A525 VanDerWaalsContact O-CB 3.27Å; V521-A525 WeakPolarHBondContact O-CB 3.33Å; V521-A525 PolarHBondContact O-N 2.93Å; D523-A525 VanDerWaalsContact C-N 3.28Å; D523-A525 PolarHBondContact O-N 3.06Å; A525-T528 VanDerWaalsContact CA-OG1 3.3Å; A525-T528 WeakPolarHBondContact CA-OG1 3.48Å; A525-T528 PolarHBondContact O-OG1 3.32Å; A525-T528 VanDerWaalsContact O-OG1 3.06Å; A525-I529 WeakPolarHBondContact O-CD1 3.25Å; A525-I529 WeakPolarHBondContact O-CG1 3.03Å
526	K	58.2	Low	56.5	Low	138 Å²	138	108.2 Å²	108.2	60%	0.6	60%	0.597	S	S	*	*	H	α-helix	trans	-77.7	-37.4	172.4	-76.4	171.7	-176.7	172	0	111.4	A522 D523 D524 T528 I529 A530	A522-K526 WeakPolarHBondContact O-CG 3.26Å; A522-K526 PolarHBondContact O-N 3.24Å; D523-K526 WeakPolarHBondContact O-CB 3.31Å; D523-K526 PolarHBondContact O-N 3.39Å; D524-K526 VanDerWaalsContact C-N 3.35Å; K526-T528 VanDerWaalsContact C-N 3.29Å; K526-T528 PolarHBondContact O-N 3.1Å; K526-I529 PolarHBondContact O-N 2.93Å; K526-A530 PolarHBondContact O-N 3.19Å; K526-A530 VanDerWaalsContact O-N 3.08Å
527	D	52	Low	53.5	Low	108 Å²	108	105.4 Å²	105.4	58%	0.578	60%	0.603	S	S	*	*	H	α-helix	trans	-64.9	-35.9	177.5	-70.2	-21	0	0	0	111.4	D523 D524 I529 A530 D531	D523-D527 PolarHBondContact O-N 3.15Å; D524-D527 PolarHBondContact O-N 2.76Å; D527-I529 PolarHBondContact O-N 3.31Å; D527-A530 PolarHBondContact O-N 3.42Å; D527-D531 PolarHBondContact O-N 2.7Å
528	T	50.8	Low	50.7	Low	104 Å²	104	108 Å²	108	64%	0.638	62%	0.619	S	S	*	*	H	α-helix	trans	-72.4	-20.5	173.9	43	0	0	0	0	114.8	D524 A525 K526	D524-T528 PolarHBondContact O-N 2.8Å; D524-T528 VanDerWaalsContact O-N 3.13Å; D524-T528 PolarHBondContact O-OG1 3.49Å; A525-T528 VanDerWaalsContact CA-OG1 3.3Å; A525-T528 WeakPolarHBondContact CA-OG1 3.48Å; A525-T528 PolarHBondContact O-OG1 3.32Å; A525-T528 VanDerWaalsContact O-OG1 3.06Å; K526-T528 VanDerWaalsContact C-N 3.29Å; K526-T528 PolarHBondContact O-N 3.1Å
529	I	44.4	Very low	47.9	Very low	144 Å²	144	109.9 Å²	109.9	74%	0.738	65%	0.647	S	S	*	*	H	α-helix	trans	-85.3	-24.4	172.1	-66.1	169	0	0	0	111	A525 K526 D527	A525-I529 WeakPolarHBondContact O-CD1 3.25Å; A525-I529 WeakPolarHBondContact O-CG1 3.03Å; K526-I529 PolarHBondContact O-N 2.93Å; D527-I529 PolarHBondContact O-N 3.31Å
530	A	42.8	Very low	45.1	Very low	82 Å²	82	111.2 Å²	111.2	68%	0.678	66%	0.663	S	S	*	*	H	α-helix	trans	-73.6	-28.9	177.2	0	0	0	0	0	112.9	K526 D527	K526-A530 PolarHBondContact O-N 3.19Å; K526-A530 VanDerWaalsContact O-N 3.08Å; D527-A530 PolarHBondContact O-N 3.42Å
531	D	34.8	Very low	42.5	Very low	143 Å²	143	111.6 Å²	111.6	77%	0.765	68%	0.676	S	S	*	*	S	Bend	trans	-98	93.5	173.6	-95.3	-26.2	0	0	0	111.3	D527 S533	D527-D531 PolarHBondContact O-N 2.7Å; D531-S533 PolarHBondContact O-N 3.32Å
532	G	29.7	Very low	39.8	Very low	71 Å²	71	118.4 Å²	118.4	73%	0.732	70%	0.695	S	S	*	*			trans	-65.7	119.8	174.3	0	0	0	0	0	112.7
533	S	28.5	Very low	37.2	Very low	120 Å²	120	120.9 Å²	120.9	84%	0.839	72%	0.715	S	S	*	*			trans	-157.9	140.2	131.4	-88	0	0	0	0	112.3	D531	D531-S533 PolarHBondContact O-N 3.32Å
534	P	29.9	Very low	35	Very low	115 Å²	115	125.5 Å²	125.5	75%	0.747	73%	0.734	S	S	*	*			trans	-96.3	146.4	-169.1	14.8	4.7	0	0	0	112
535	L	24.6	Very low	32.8	Very low	160 Å²	160	126.8 Å²	126.8	84%	0.838	75%	0.749	S	S	*	*			trans	-178.9	133.9	140.6	-97.9	151.5	0	0	0	114.8
536	Q	24.5	Very low	30.8	Very low	177 Å²	177	130 Å²	130	83%	0.827	77%	0.769	S	S	*	*			trans	83.5	90.7	150.4	-59.3	-172.5	23.7	0	0	121.1
537	A	24.5	Very low	29.2	Very low	98 Å²	98	129 Å²	129	81%	0.81	78%	0.777	S	S	*	*			trans	-68.5	133.3	146.2	0	0	0	0	0	112.1
538	K	22.8	Very low	27.8	Very low	218 Å²	218	130.1 Å²	130.1	95%	0.948	79%	0.787	S	S	*	*			trans	-169.3	125.5	144	-123.3	169.8	-180	174.1	0	110.4
539	G	25.2	Very low	26.6	Very low	75 Å²	75	131 Å²	131	77%	0.773	79%	0.792	S	S	*	*			trans	158	49.3	170	0	0	0	0	0	115.5	V541	G539-V541 PolarHBondContact O-N 3.1Å
540	T	19.3	Very low	25.4	Very low	142 Å²	142	132.7 Å²	132.7	87%	0.871	80%	0.797	S	S	*	*			trans	-63	118.3	168.2	-50.4	0	0	0	0	110.1
541	V	24.7	Very low	24.2	Very low	143 Å²	143	139.4 Å²	139.4	87%	0.867	81%	0.805	S	S	*	*			trans	-137.1	135.6	152.7	-174	0	0	0	0	109.8	G539	G539-V541 PolarHBondContact O-N 3.1Å
542	R	20.7	Very low	23.6	Very low	211 Å²	211	141.8 Å²	141.8	80%	0.796	81%	0.812	S	S	*	*			trans	-74.6	141.3	-163.1	-166.9	176.2	-177.6	156.1	-1.7	111.8
543	A	20.4	Very low	23.2	Very low	98 Å²	98	142 Å²	142	81%	0.81	81%	0.814	S	S	*	*			trans	-72.3	126.5	171.1	0	0	0	0	0	110.6
544	E	22.1	Very low	23	Very low	165 Å²	165	145.8 Å²	145.8	77%	0.771	82%	0.815	S	S	*	*			trans	-124.6	144.4	164.3	-65.3	-94.4	155.2	0	0	107.4
545	S	24.6	Very low	22.6	Very low	104 Å²	104	148.3 Å²	148.3	73%	0.727	82%	0.817	S	S	*	*			trans	-72.5	151.1	-158.5	44.2	0	0	0	0	116.8
546	S	22.2	Very low	22.5	Very low	113 Å²	113	149.6 Å²	149.6	79%	0.79	82%	0.819	S	S	*	*			trans	9.5	130.7	150.9	-61.3	0	0	0	0	119.7
547	P	25.6	Very low	22.4	Very low	118 Å²	118	144.2 Å²	144.2	77%	0.766	81%	0.811	S	S	*	*			trans	-117.4	115.2	140.7	21.1	-2.6	0	0	0	111
548	T	21.3	Very low	22.5	Very low	131 Å²	131	147.6 Å²	147.6	80%	0.804	82%	0.815	S	S	*	*			trans	-52.9	124.4	156	-61.2	0	0	0	0	109.7
549	V	25.8	Very low	22.4	Very low	123 Å²	123	144.1 Å²	144.1	75%	0.745	81%	0.806	S	S	*	*			trans	-120.3	116.2	167.7	179.6	0	0	0	0	108.9
550	Q	18.4	Very low	22.4	Very low	179 Å²	179	148.7 Å²	148.7	84%	0.836	81%	0.812	S	S	*	*			trans	-69.2	148.4	173.8	-88.9	168	-47.3	0	0	111.6
551	W	19.4	Very low	22.5	Very low	224 Å²	224	148.2 Å²	148.2	85%	0.848	80%	0.803	S	S	*	*			trans	-84.2	125.2	175.8	-71.3	76.5	0	0	0	110.2
552	E	22.2	Very low	22.6	Very low	193 Å²	193	148.2 Å²	148.2	90%	0.902	80%	0.803	S	S	*	*			trans	-116	123.7	160.4	-81.6	-169.8	156.3	0	0	109.6
553	G	19.6	Very low	22.6	Very low	75 Å²	75	141.2 Å²	141.2	77%	0.773	80%	0.796	S	S	*	*			trans	-87.3	148.3	168	0	0	0	0	0	111.6
554	K	25.3	Very low	22.9	Very low	199 Å²	199	144.3 Å²	144.3	87%	0.865	80%	0.798	S	S	*	*			trans	-160	102.2	153.1	-100.2	168.5	-176.1	173.7	0	104.7
555	E	20.6	Very low	23	Very low	169 Å²	169	143.1 Å²	143.1	79%	0.79	80%	0.796	S	S	*	*				63.4	136	83.8	-82.4	-158.9	168.8	0	0	115.7
556	Q	24.1	Very low	23	Very low	186 Å²	186	148.2 Å²	148.2	87%	0.869	81%	0.805	S	S	*	*			trans	76.5	121.1	170.9	-58.5	171.7	10.8	0	0	114.5
557	G	21.5	Very low	23.1	Very low	64 Å²	64	147.4 Å²	147.4	66%	0.66	80%	0.795	S	S	*	*			cis	121.1	112.7	28.3	0	0	0	0	0	107
558	N	27.2	Very low	23.2	Very low	169 Å²	169	149.9 Å²	149.9	90%	0.904	80%	0.802	S	S	*	*			trans	172.9	112.8	136.6	-87.3	-15.2	0	0	0	111.7
559	L	19.8	Very low	23.4	Very low	145 Å²	145	150.4 Å²	150.4	76%	0.759	80%	0.799	S	S	*	*			trans	-61.8	138.9	151.9	178.9	72.2	0	0	0	109.6	I561	L559-I561 HydrophobicContact CD1-CG1 4.43Å
560	L	26.1	Very low	23.6	Very low	172 Å²	172	151.9 Å²	151.9	90%	0.901	80%	0.803	S	S	*	*			trans	-155.9	133	146	-108.2	166.5	0	0	0	111
561	I	21.4	Very low	23.8	Very low	132 Å²	132	152.3 Å²	152.3	68%	0.677	80%	0.802	S	S	*	*			trans	-103.3	134.3	-178.4	-69.9	166.1	0	0	0	107.9	L559	L559-I561 HydrophobicContact CD1-CG1 4.43Å
562	V	25.7	Very low	24.3	Very low	143 Å²	143	149.3 Å²	149.3	87%	0.867	80%	0.801	S	S	*	*			trans	-173.1	123.5	144.2	-105.9	0	0	0	0	105.3
563	G	21.1	Very low	24.5	Very low	64 Å²	64	148 Å²	148	66%	0.66	80%	0.8	S	S	*	*			cis	99.8	104.7	38.8	0	0	0	0	0	108.4
564	I	27.5	Very low	25.1	Very low	163 Å²	163	150.1 Å²	150.1	84%	0.836	80%	0.799	S	S	*	*			trans	-174.1	116.6	138.6	-86.9	149.4	0	0	0	110.2
565	L	23.2	Very low	25.2	Very low	139 Å²	139	145.5 Å²	145.5	73%	0.728	80%	0.798	S	S	*	*			trans	-23	137	154.9	-69.1	131.4	0	0	0	118.4	V567	L565-V567 HydrophobicContact CB-CG2 4.33Å; L565-V567 HydrophobicContact CD2-CG2 3.74Å
566	F	24.5	Very low	25.4	Very low	212 Å²	212	146.7 Å²	146.7	93%	0.93	80%	0.804	S	S	*	*			trans	-122.9	115.6	136.8	-93.2	-88.6	0	0	0	108.9
567	V	24.2	Very low	25.5	Very low	95 Å²	95	143.5 Å²	143.5	58%	0.576	80%	0.802	S	S	*	*			trans	-91.5	131.5	174.9	-158	0	0	0	0	107.1	L565 L569	L565-V567 HydrophobicContact CB-CG2 4.33Å; L565-V567 HydrophobicContact CD2-CG2 3.74Å; V567-L569 HydrophobicContact CG1-CD1 3.73Å
568	N	29.1	Very low	25.9	Very low	170 Å²	170	144.9 Å²	144.9	91%	0.909	81%	0.807	S	S	*	*			trans	-130.6	107.7	156.3	-108.6	-33.2	0	0	0	107.7
569	L	24.2	Very low	25.9	Very low	143 Å²	143	141.1 Å²	141.1	75%	0.749	80%	0.8	S	S	*	*			trans	-85.3	133.7	170.5	-112.7	90.7	0	0	0	108.7	V567	V567-L569 HydrophobicContact CG1-CD1 3.73Å
570	N	30.2	Very low	26.4	Very low	154 Å²	154	140 Å²	140	82%	0.824	80%	0.801	S	S	*	*			trans	-161	106.8	139.7	-107.4	-6.8	0	0	0	111.3
571	F	22.3	Very low	26.5	Very low	188 Å²	188	136.5 Å²	136.5	83%	0.825	80%	0.797	S	S	*	*				67.4	130	127.6	-106.8	-100.1	0	0	0	123.7
572	I	29.5	Very low	26.9	Very low	160 Å²	160	133.2 Å²	133.2	82%	0.821	80%	0.796	S	S	*	*			trans	104.4	128.3	152.1	-49.5	179.1	0	0	0	118.9
573	L	26.5	Very low	27	Very low	167 Å²	167	136 Å²	136	87%	0.874	80%	0.799	S	S	*	*			trans	-73.4	174.2	-164.7	-81.6	173.1	0	0	0	116.7
574	P	32.3	Very low	27.7	Very low	118 Å²	118	140.1 Å²	140.1	77%	0.766	81%	0.805	S	S	*	*			trans	-106.5	159	-136.2	40.6	-35.8	0	0	0	115.9
575	A	27.7	Very low	28.2	Very low	102 Å²	102	136 Å²	136	84%	0.843	80%	0.795	S	S	*	*			trans	-141.8	112.2	154.5	0	0	0	0	0	109.9
576	E	25.7	Very low	29.6	Very low	195 Å²	195	135.7 Å²	135.7	91%	0.911	80%	0.801	S	S	*	*			trans	35.8	118.9	152.2	-118.3	164.7	167.9	0	0	121.9	A578	E576-A578 PolarHBondContact O-N 2.85Å
577	S	26.2	Very low	31.7	Very low	118 Å²	118	133.8 Å²	133.8	83%	0.825	79%	0.788	S	S	*	*			trans	-58.5	111.7	169.2	152.8	0	0	0	0	112.8
578	A	28.8	Very low	34.4	Very low	93 Å²	93	133.2 Å²	133.2	77%	0.769	79%	0.793	S	S	*	*			trans	-123.9	93.9	147.1	0	0	0	0	0	107.8	E576 P580	E576-A578 PolarHBondContact O-N 2.85Å; A578-P580 WeakPolarHBondContact O-CD 3.45Å
579	A	28.8	Very low	37	Very low	90 Å²	90	127.7 Å²	127.7	74%	0.744	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-60.5	125.2	174.8	0	0	0	0	0	109.9	A581	A579-A581 PolarHBondContact O-N 2.84Å
580	P	29	Very low	40.1	Very low	123 Å²	123	124 Å²	124	80%	0.799	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-73.8	123.1	173.2	28.3	-29.8	0	0	0	108.7	A578 G582	A578-P580 WeakPolarHBondContact O-CD 3.45Å; P580-G582 PolarHBondContact O-N 3.14Å; P580-G582 VanDerWaalsContact O-N 3.15Å
581	A	29.2	Very low	42.8	Very low	98 Å²	98	120.9 Å²	120.9	81%	0.81	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-51	119.8	169.5	0	0	0	0	0	109.1	A579 E583	A579-A581 PolarHBondContact O-N 2.84Å; A581-E583 PolarHBondContact O-N 3.46Å
582	G	29.2	Very low	45.9	Very low	63 Å²	63	119.1 Å²	119.1	65%	0.649	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-54.6	126.5	-179.6	0	0	0	0	0	111.1	P580 I584	P580-G582 PolarHBondContact O-N 3.14Å; P580-G582 VanDerWaalsContact O-N 3.15Å; G582-I584 PolarHBondContact O-N 2.78Å
583	E	28.7	Very low	48.8	Very low	200 Å²	200	112.6 Å²	112.6	94%	0.935	69%	0.694	S	S	*	*			trans	-58.6	101.3	165.9	-79.9	-179.4	141.5	0	0	108.7	A581 A585	A581-E583 PolarHBondContact O-N 3.46Å; E583-A585 PolarHBondContact O-N 3.44Å; E583-A585 VanDerWaalsContact O-N 3.17Å
584	I	34.2	Very low	51.8	Low	152 Å²	152	106.1 Å²	106.1	78%	0.779	66%	0.659	S	S	*	*			trans	-67.4	112.7	171.4	-60.1	170.4	0	0	0	106.8	G582	G582-I584 PolarHBondContact O-N 2.78Å
585	A	38.3	Very low	54.6	Low	77 Å²	77	107.3 Å²	107.3	64%	0.636	65%	0.652	S	S	*	*			trans	-50.1	143.1	172.8	0	0	0	0	0	111.1	E583 R587	E583-A585 PolarHBondContact O-N 3.44Å; E583-A585 VanDerWaalsContact O-N 3.17Å; A585-R587 PolarHBondContact O-N 3.3Å
586	P	52.4	Low	57.7	Low	131 Å²	131	105.3 Å²	105.3	85%	0.851	63%	0.627	S	S	*	*			trans	-60.5	115.1	-171.5	23	-32.8	0	0	0	111.4	A588	P586-A588 PolarHBondContact O-N 3.47Å
587	R	69.8	Low	60.8	Low	172 Å²	172	96 Å²	96	65%	0.649	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-65.8	116.2	-178	-134.8	-174.4	-120.2	-137.4	1.9	110.1	A585 R622	A585-R587 PolarHBondContact O-N 3.3Å; R587-R622 PolarHBondContact O-NH1 2.9Å; R587-R622 PolarHBondContact O-NH2 3.24Å; R587-R622 VanDerWaalsContact O-NH2 3.14Å
588	A	79.7	Confident	64	Low	84 Å²	84	95 Å²	95	69%	0.694	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-61.8	144.4	178.4	0	0	0	0	0	111.9	P586 R622	P586-A588 PolarHBondContact O-N 3.47Å; A588-R622 VanDerWaalsContact C-NH2 3.35Å; A588-R622 PolarHBondContact O-NH2 3.28Å
589	W	85	Confident	67	Low	53 Å²	53	95.1 Å²	95.1	20%	0.201	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-72.4	127.8	177.7	-80.1	77.8	0	0	0	110.8	E593 L597 L619 R622 E626 R630	W589-E593 WeakPolarHBondContact CA-OE2 3.26Å; W589-E593 HydrophobicContact CE3-CB 3.71Å; W589-E593 HydrophobicContact CZ3-CB 4.02Å; W589-L597 HydrophobicContact CH2-CB 4.46Å; W589-L597 HydrophobicContact CH2-CD1 4.49Å; W589-L597 HydrophobicContact CH2-CD2 3.85Å; W589-L597 HydrophobicContact CH2-CG 4.49Å; W589-L597 HydrophobicContact CZ3-CB 4.01Å; W589-L597 HydrophobicContact CZ3-CD2 3.91Å; W589-L597 HydrophobicContact CZ3-CG 4.46Å; W589-L619 HydrophobicContact CH2-CD1 4.1Å; W589-L619 HydrophobicContact CZ3-CD1 4.15Å; W589-R622 HydrophobicContact CH2-CG 4.22Å; W589-R622 HydrophobicContact CZ3-CG 4.49Å; W589-E626 HydrophobicContact CZ2-CB 4.47Å; W589-R630 HydrophobicContact CD2-CG 3.94Å; W589-R630 HydrophobicContact CE3-CG 4.42Å; W589-R630 HydrophobicContact CG-CG 4.46Å; W589-R630 HydrophobicContact CH2-CB 4.18Å; W589-R630 HydrophobicContact CH2-CG 4.2Å; W589-R630 HydrophobicContact CZ2-CB 3.43Å; W589-R630 VanDerWaalsContact CZ2-CB 3.43Å; W589-R630 HydrophobicContact CZ2-CG 3.66Å
590	T	89	Confident	69.9	Low	67 Å²	67	90.9 Å²	90.9	41%	0.411	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-80.4	158.8	172.5	74.5	0	0	0	0	111.1	E592 E593 Q594	T590-E592 PolarHBondContact O-N 3.49Å; T590-E593 PolarHBondContact N-OE2 3.47Å; T590-E593 PolarHBondContact O-N 3.23Å; T590-E593 VanDerWaalsContact OG1-CG 3.28Å; T590-E593 WeakPolarHBondContact OG1-CG 3.49Å; T590-E593 PolarHBondContact OG1-N 3.4Å; T590-Q594 WeakPolarHBondContact O-CB 3.36Å; T590-Q594 PolarHBondContact O-N 3.41Å
591	S	86.2	Confident	72.8	Confident	88 Å²	88	86.7 Å²	86.7	62%	0.615	49%	0.486	S	S	*	.	H	α-helix	trans	-59.1	-31.5	176.1	-65.6	0	0	0	0	112.9	K595	S591-K595 WeakPolarHBondContact O-CG 3.48Å; S591-K595 PolarHBondContact O-N 2.95Å; S591-K595 VanDerWaalsContact O-N 3.16Å
592	E	87.8	Confident	75.7	Confident	150 Å²	150	90.5 Å²	90.5	70%	0.701	48%	0.484	S	S	*	.	H	α-helix	trans	-73	-45.9	177.1	-64.6	177	175.5	0	0	111.6	T590 Q594 K595 L596	T590-E592 PolarHBondContact O-N 3.49Å; E592-Q594 VanDerWaalsContact C-N 3.27Å; E592-Q594 PolarHBondContact O-N 2.76Å; E592-K595 PolarHBondContact O-N 2.85Å; E592-L596 WeakPolarHBondContact O-CG 2.97Å; E592-L596 PolarHBondContact O-N 2.76Å
593	E	90.3	Very high	78.6	Confident	23 Å²	23	91.3 Å²	91.3	11%	0.107	47%	0.473	C	S	.	.	H	α-helix	trans	-59.8	-39.9	174.9	-71.1	175.8	145.5	0	0	111.4	W589 T590 L596 L597 L619 R622	W589-E593 WeakPolarHBondContact CA-OE2 3.26Å; W589-E593 HydrophobicContact CE3-CB 3.71Å; W589-E593 HydrophobicContact CZ3-CB 4.02Å; T590-E593 PolarHBondContact N-OE2 3.47Å; T590-E593 PolarHBondContact O-N 3.23Å; T590-E593 VanDerWaalsContact OG1-CG 3.28Å; T590-E593 WeakPolarHBondContact OG1-CG 3.49Å; T590-E593 PolarHBondContact OG1-N 3.4Å; E593-L596 PolarHBondContact O-N 3.33Å; E593-L597 WeakPolarHBondContact O-CB 3.25Å; E593-L597 PolarHBondContact O-N 2.64Å; E593-L619 HydrophobicContact CB-CD2 4.23Å; E593-L619 HydrophobicContact CG-CD2 4.49Å; E593-R622 IonicContact OE1-CZ 3.42Å; E593-R622 IonicContact OE1-NE 3.69Å; E593-R622 PolarHBondContact OE1-NE 3.37Å; E593-R622 IonicContact OE1-NH2 3.33Å; E593-R622 IonicContact OE2-CZ 3.48Å; E593-R622 IonicContact OE2-NE 3.49Å; E593-R622 PolarHBondContact OE2-NE 3.3Å; E593-R622 IonicContact OE2-NH2 3.19Å; E593-R622 PolarHBondContact OE2-NH2 2.9Å
594	Q	89.7	Confident	81.6	Confident	31 Å²	31	84 Å²	84	15%	0.145	44%	0.437	C	S	.	.	H	α-helix	trans	-65.2	-42.2	177.5	-176.8	65.3	39	0	0	111.7	T590 E592 L597 E598 R630 I634	T590-Q594 WeakPolarHBondContact O-CB 3.36Å; T590-Q594 PolarHBondContact O-N 3.41Å; E592-Q594 VanDerWaalsContact C-N 3.27Å; E592-Q594 PolarHBondContact O-N 2.76Å; Q594-L597 PolarHBondContact O-N 2.96Å; Q594-E598 PolarHBondContact NE2-OE1 3.31Å; Q594-E598 WeakPolarHBondContact O-CG 3.45Å; Q594-E598 PolarHBondContact O-N 3.21Å; Q594-R630 VanDerWaalsContact OE1-NE 3.13Å; Q594-I634 VanDerWaalsContact NE2-CD1 3.33Å
595	K	91.9	Very high	84.1	Confident	143 Å²	143	79.8 Å²	79.8	62%	0.622	42%	0.42	S	S	*	.	H	α-helix	trans	-62.6	-43.9	174.5	-77.6	177.2	-179.9	179	0	111.8	S591 E592 L597 E598 E599	S591-K595 WeakPolarHBondContact O-CG 3.48Å; S591-K595 PolarHBondContact O-N 2.95Å; S591-K595 VanDerWaalsContact O-N 3.16Å; E592-K595 PolarHBondContact O-N 2.85Å; K595-L597 VanDerWaalsContact C-N 3.34Å; K595-L597 PolarHBondContact O-N 2.89Å; K595-E598 PolarHBondContact O-N 3.05Å; K595-E599 WeakPolarHBondContact O-CG 3.34Å; K595-E599 PolarHBondContact O-N 2.82Å
596	L	91.2	Very high	86.4	Confident	61 Å²	61	80.9 Å²	80.9	32%	0.319	42%	0.422	S	S	.	.	H	α-helix	trans	-63.5	-38.3	177.1	-74.6	172.1	0	0	0	112.3	E592 E593 G600 L619	E592-L596 WeakPolarHBondContact O-CG 2.97Å; E592-L596 PolarHBondContact O-N 2.76Å; E593-L596 PolarHBondContact O-N 3.33Å; L596-G600 PolarHBondContact O-N 3.27Å; L596-L619 HydrophobicContact CB-CD2 3.51Å; L596-L619 HydrophobicContact CB-CG 4.33Å; L596-L619 HydrophobicContact CD1-CD2 3.98Å; L596-L619 HydrophobicContact CG-CD2 4.42Å
597	L	92.5	Very high	88	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-62.5	-44.9	172.8	-179.6	65.7	0	0	0	111.4	W589 E593 Q594 K595 G600 L601 I615 L619 C627 R630 I634	W589-L597 HydrophobicContact CH2-CB 4.46Å; W589-L597 HydrophobicContact CH2-CD1 4.49Å; W589-L597 HydrophobicContact CH2-CD2 3.85Å; W589-L597 HydrophobicContact CH2-CG 4.49Å; W589-L597 HydrophobicContact CZ3-CB 4.01Å; W589-L597 HydrophobicContact CZ3-CD2 3.91Å; W589-L597 HydrophobicContact CZ3-CG 4.46Å; E593-L597 WeakPolarHBondContact O-CB 3.25Å; E593-L597 PolarHBondContact O-N 2.64Å; Q594-L597 PolarHBondContact O-N 2.96Å; K595-L597 VanDerWaalsContact C-N 3.34Å; K595-L597 PolarHBondContact O-N 2.89Å; L597-G600 PolarHBondContact O-N 3.05Å; L597-L601 HydrophobicContact CG-CD1 4.21Å; L597-L601 WeakPolarHBondContact O-CB 3.28Å; L597-L601 VanDerWaalsContact O-CG 3.26Å; L597-L601 WeakPolarHBondContact O-CG 3.28Å; L597-L601 PolarHBondContact O-N 2.7Å; L597-I615 HydrophobicContact CD1-CG2 3.62Å; L597-L619 HydrophobicContact CB-CD1 4.23Å; L597-L619 HydrophobicContact CD1-CD1 4.29Å; L597-C627 HydrophobicContact CD1-CB 4.08Å; L597-R630 HydrophobicContact CD2-CB 4.06Å; L597-R630 HydrophobicContact CD2-CG 3.61Å; L597-I634 HydrophobicContact CD2-CD1 4.37Å
598	E	92.1	Very high	88.7	Confident	95 Å²	95	76 Å²	76	44%	0.444	41%	0.406	S	S	.	.	H	α-helix	trans	-66.7	-40.3	179	-73.7	173.9	-162	0	0	112.6	Q594 K595 L601 K602	Q594-E598 PolarHBondContact NE2-OE1 3.31Å; Q594-E598 WeakPolarHBondContact O-CG 3.45Å; Q594-E598 PolarHBondContact O-N 3.21Å; K595-E598 PolarHBondContact O-N 3.05Å; E598-L601 PolarHBondContact O-N 2.94Å; E598-K602 WeakPolarHBondContact O-CG 3.16Å; E598-K602 PolarHBondContact O-N 3.18Å
599	E	91.3	Very high	88.8	Confident	97 Å²	97	77 Å²	77	45%	0.453	41%	0.408	S	S	.	.	H	α-helix	trans	-61	-46.5	170.4	-76.3	-175.6	-178.2	0	0	111.3	K595 L601 K602 I603 R618	K595-E599 WeakPolarHBondContact O-CG 3.34Å; K595-E599 PolarHBondContact O-N 2.82Å; E599-L601 VanDerWaalsContact C-N 3.3Å; E599-L601 PolarHBondContact O-N 3.3Å; E599-K602 PolarHBondContact O-N 3.05Å; E599-K602 VanDerWaalsContact O-N 3.12Å; E599-I603 HydrophobicContact CB-CD1 4.5Å; E599-I603 WeakPolarHBondContact O-CD1 3.33Å; E599-I603 VanDerWaalsContact O-CG1 3.23Å; E599-I603 WeakPolarHBondContact O-CG1 3.46Å; E599-I603 PolarHBondContact O-N 2.99Å; E599-R618 IonicContact OE2-NH1 3.66Å; E599-R618 PolarHBondContact OE2-NH1 3.34Å
600	G	90.5	Very high	88.8	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-59.2	-39.8	175.7	0	0	0	0	0	112.6	L596 L597 K602 I603 Y604	L596-G600 PolarHBondContact O-N 3.27Å; L597-G600 PolarHBondContact O-N 3.05Å; G600-K602 VanDerWaalsContact C-N 3.33Å; G600-K602 PolarHBondContact O-N 3.5Å; G600-I603 PolarHBondContact O-N 3.34Å; G600-Y604 WeakPolarHBondContact O-CB 3.32Å; G600-Y604 VanDerWaalsContact O-CD2 3.24Å; G600-Y604 WeakPolarHBondContact O-CD2 3.29Å; G600-Y604 PolarHBondContact O-N 3.4Å
601	L	90.5	Very high	88.9	Confident	35 Å²	35	77.3 Å²	77.3	18%	0.183	41%	0.409	C	S	.	.	H	α-helix	trans	-68.7	-29.1	176.6	-72.1	170	0	0	0	113.3	L597 E598 E599 R611 W612 I615 Y631	L597-L601 HydrophobicContact CG-CD1 4.21Å; L597-L601 WeakPolarHBondContact O-CB 3.28Å; L597-L601 VanDerWaalsContact O-CG 3.26Å; L597-L601 WeakPolarHBondContact O-CG 3.28Å; L597-L601 PolarHBondContact O-N 2.7Å; E598-L601 PolarHBondContact O-N 2.94Å; E599-L601 VanDerWaalsContact C-N 3.3Å; E599-L601 PolarHBondContact O-N 3.3Å; L601-R611 VanDerWaalsContact CD2-NH2 3.26Å; L601-R611 PolarHBondContact O-NH2 2.88Å; L601-W612 HydrophobicContact CD2-CH2 4.17Å; L601-W612 HydrophobicContact CD2-CZ3 4.29Å; L601-I615 HydrophobicContact CD2-CD1 3.85Å; L601-I615 HydrophobicContact CG-CD1 4.38Å; L601-Y631 HydrophobicContact CD1-CD2 3.93Å; L601-Y631 HydrophobicContact CD2-CD2 3.93Å; L601-Y631 HydrophobicContact CD2-CE2 4.26Å
602	K	89.8	Confident	89.2	Confident	178 Å²	178	75.3 Å²	75.3	77%	0.774	39%	0.388	S	S	*	.	H	α-helix	trans	-76.7	-41.4	173.9	-76.3	178.8	-178	175.3	0	112.4	E598 E599 G600	E598-K602 WeakPolarHBondContact O-CG 3.16Å; E598-K602 PolarHBondContact O-N 3.18Å; E599-K602 PolarHBondContact O-N 3.05Å; E599-K602 VanDerWaalsContact O-N 3.12Å; G600-K602 VanDerWaalsContact C-N 3.33Å; G600-K602 PolarHBondContact O-N 3.5Å
603	I	90	Very high	89.3	Confident	80 Å²	80	71.1 Å²	71.1	41%	0.41	37%	0.371	S	S	.	.	H	α-helix	trans	-72.5	-42.1	-177.8	-65.1	164	0	0	0	110.6	E599 G600 P605 R618	E599-I603 HydrophobicContact CB-CD1 4.5Å; E599-I603 WeakPolarHBondContact O-CD1 3.33Å; E599-I603 VanDerWaalsContact O-CG1 3.23Å; E599-I603 WeakPolarHBondContact O-CG1 3.46Å; E599-I603 PolarHBondContact O-N 2.99Å; G600-I603 PolarHBondContact O-N 3.34Å; I603-P605 VanDerWaalsContact O-CD 3.28Å; I603-P605 WeakPolarHBondContact O-CD 3.48Å; I603-R618 VanDerWaalsContact CD1-CZ 3.45Å
604	Y	90.9	Very high	89.3	Confident	48 Å²	48	72.6 Å²	72.6	19%	0.188	38%	0.379	C	S	.	.	S	Bend	trans	-105.7	102.2	-175.6	-54	-62	0	0	0	111.1	G600 L608 R611 L614 I615	G600-Y604 WeakPolarHBondContact O-CB 3.32Å; G600-Y604 VanDerWaalsContact O-CD2 3.24Å; G600-Y604 WeakPolarHBondContact O-CD2 3.29Å; G600-Y604 PolarHBondContact O-N 3.4Å; Y604-L608 HydrophobicContact CD1-CD1 4.16Å; Y604-R611 PolarHBondContact O-NE 3.2Å; Y604-R611 PolarHBondContact O-NH2 3.37Å; Y604-L614 HydrophobicContact CD1-CB 4.22Å; Y604-L614 HydrophobicContact CD1-CD1 3.85Å; Y604-L614 HydrophobicContact CD2-CB 4.04Å; Y604-L614 HydrophobicContact CE1-CB 4.02Å; Y604-L614 HydrophobicContact CE1-CD1 3.86Å; Y604-L614 HydrophobicContact CE1-CG 4.45Å; Y604-L614 HydrophobicContact CE2-CB 3.8Å; Y604-L614 HydrophobicContact CG-CB 4.23Å; Y604-L614 HydrophobicContact CG-CD1 4.47Å; Y604-I615 HydrophobicContact CD2-CG1 3.74Å
605	P	87.9	Confident	89.4	Confident	63 Å²	63	71.2 Å²	71.2	41%	0.409	37%	0.372	S	S	.	.			trans	-68.5	164.1	179.8	28.6	-35.6	0	0	0	112.2	I603 T607 L608 R611	I603-P605 VanDerWaalsContact O-CD 3.28Å; I603-P605 WeakPolarHBondContact O-CD 3.48Å; P605-T607 PolarHBondContact O-N 2.88Å; P605-T607 VanDerWaalsContact O-N 3.12Å; P605-L608 HydrophobicContact CG-CD1 4.4Å; P605-L608 HydrophobicContact CG-CG 4.43Å; P605-L608 PolarHBondContact O-N 3.39Å; P605-R611 WeakPolarHBondContact O-CD 3.49Å
606	S	85.2	Confident	89.3	Confident	99 Å²	99	65.1 Å²	65.1	69%	0.692	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-10.2	-179.8	55.8	0	0	0	0	114.9	L608	S606-L608 VanDerWaalsContact C-N 3.33Å
607	T	86	Confident	89.1	Confident	122 Å²	122	69.5 Å²	69.5	75%	0.748	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-19.1	178.6	47.9	0	0	0	0	113.4	P605	P605-T607 PolarHBondContact O-N 2.88Å; P605-T607 VanDerWaalsContact O-N 3.12Å
608	L	84.8	Confident	88.9	Confident	79 Å²	79	74.3 Å²	74.3	41%	0.414	39%	0.386	S	S	.	.			trans	-81.3	124.8	-180	-66.2	172.9	0	0	0	111.3	Y604 P605 S606 N610 R611	Y604-L608 HydrophobicContact CD1-CD1 4.16Å; P605-L608 HydrophobicContact CG-CD1 4.4Å; P605-L608 HydrophobicContact CG-CG 4.43Å; P605-L608 PolarHBondContact O-N 3.39Å; S606-L608 VanDerWaalsContact C-N 3.33Å; L608-N610 PolarHBondContact O-N 3.28Å; L608-R611 HydrophobicContact CB-CB 4.19Å; L608-R611 VanDerWaalsContact O-CB 3.24Å; L608-R611 WeakPolarHBondContact O-CB 3.4Å; L608-R611 PolarHBondContact O-N 3.06Å
609	S	82	Confident	88.7	Confident	104 Å²	104	70 Å²	70	73%	0.727	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-38.4	177.9	49.5	0	0	0	0	112.9	R611	S609-R611 VanDerWaalsContact C-N 3.32Å; S609-R611 PolarHBondContact O-N 3.09Å
610	N	86	Confident	88.1	Confident	100 Å²	100	70.8 Å²	70.8	54%	0.535	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	19.4	179.6	-63.1	-14.8	0	0	0	113.2	L608 W612 D613 L614	L608-N610 PolarHBondContact O-N 3.28Å; N610-W612 VanDerWaalsContact C-N 3.27Å; N610-W612 PolarHBondContact O-N 3.42Å; N610-D613 PolarHBondContact O-N 3.1Å; N610-D613 VanDerWaalsContact O-N 3.15Å; N610-L614 PolarHBondContact O-N 2.97Å
611	R	91.3	Very high	87.7	Confident	28 Å²	28	76.2 Å²	76.2	11%	0.106	41%	0.408	C	S	.	.	H	α-helix	trans	-48.5	-46.5	-177.8	178.2	-175	-168.1	-164.2	3.8	113.3	L601 Y604 P605 L608 S609 D613 L614 I615	L601-R611 VanDerWaalsContact CD2-NH2 3.26Å; L601-R611 PolarHBondContact O-NH2 2.88Å; Y604-R611 PolarHBondContact O-NE 3.2Å; Y604-R611 PolarHBondContact O-NH2 3.37Å; P605-R611 WeakPolarHBondContact O-CD 3.49Å; L608-R611 HydrophobicContact CB-CB 4.19Å; L608-R611 VanDerWaalsContact O-CB 3.24Å; L608-R611 WeakPolarHBondContact O-CB 3.4Å; L608-R611 PolarHBondContact O-N 3.06Å; S609-R611 VanDerWaalsContact C-N 3.32Å; S609-R611 PolarHBondContact O-N 3.09Å; R611-D613 VanDerWaalsContact C-N 3.34Å; R611-L614 PolarHBondContact O-N 2.85Å; R611-I615 HydrophobicContact CG-CD1 3.78Å; R611-I615 VanDerWaalsContact O-CG1 3.27Å; R611-I615 WeakPolarHBondContact O-CG1 3.47Å; R611-I615 PolarHBondContact O-N 2.9Å; R611-I615 VanDerWaalsContact O-N 3.09Å
612	W	91.6	Very high	87.6	Confident	46 Å²	46	75.2 Å²	75.2	17%	0.174	40%	0.402	C	S	.	.	H	α-helix	trans	-73.7	-27.2	-173.4	-64.9	109.7	0	0	0	113.5	L601 N610 I615 A616 R624 C627 V628 Y631	L601-W612 HydrophobicContact CD2-CH2 4.17Å; L601-W612 HydrophobicContact CD2-CZ3 4.29Å; N610-W612 VanDerWaalsContact C-N 3.27Å; N610-W612 PolarHBondContact O-N 3.42Å; W612-I615 HydrophobicContact CE3-CD1 4.13Å; W612-I615 HydrophobicContact CZ3-CD1 4.22Å; W612-A616 WeakPolarHBondContact O-CB 3.26Å; W612-A616 PolarHBondContact O-N 2.76Å; W612-R624 HydrophobicContact CB-CG 3.63Å; W612-C627 HydrophobicContact CE3-CB 4.28Å; W612-C627 HydrophobicContact CZ3-CB 4.45Å; W612-V628 HydrophobicContact CB-CG2 4.21Å; W612-V628 HydrophobicContact CD2-CG2 3.36Å; W612-V628 HydrophobicContact CE3-CG2 3.61Å; W612-V628 HydrophobicContact CG-CG2 3.63Å; W612-V628 HydrophobicContact CZ2-CG2 4.3Å; W612-V628 HydrophobicContact CZ3-CG2 4.19Å; W612-Y631 AromaticContact CH2-CD1 3.77Å; W612-Y631 HydrophobicContact CH2-CD1 3.77Å; W612-Y631 HydrophobicContact CH2-CD2 4.12Å; W612-Y631 AromaticContact CH2-CG 3.54Å; W612-Y631 HydrophobicContact CH2-CG 3.54Å; W612-Y631 HydrophobicContact CZ2-CD1 4.07Å; W612-Y631 HydrophobicContact CZ2-CG 4.3Å; W612-Y631 HydrophobicContact CZ3-CG 4.48Å
613	D	90.4	Very high	87.5	Confident	62 Å²	62	69.4 Å²	69.4	33%	0.332	38%	0.384	S	S	.	.	H	α-helix	trans	-71	-44.9	176.1	-58.7	-50.2	0	0	0	109.7	N610 R611 I615 A616 E617 R624	N610-D613 PolarHBondContact O-N 3.1Å; N610-D613 VanDerWaalsContact O-N 3.15Å; R611-D613 VanDerWaalsContact C-N 3.34Å; D613-I615 VanDerWaalsContact C-N 3.33Å; D613-I615 PolarHBondContact O-N 3.03Å; D613-A616 PolarHBondContact O-N 3.37Å; D613-E617 PolarHBondContact O-N 2.73Å; D613-R624 WeakPolarHBondContact OD1-CD 3.25Å; D613-R624 IonicContact OD1-CZ 3.29Å; D613-R624 VanDerWaalsContact OD1-CZ 3.31Å; D613-R624 IonicContact OD1-NE 3.52Å; D613-R624 PolarHBondContact OD1-NE 3.05Å; D613-R624 IonicContact OD1-NH1 2.84Å; D613-R624 PolarHBondContact OD1-NH1 3.08Å; D613-R624 IonicContact OD2-CZ 2.93Å; D613-R624 IonicContact OD2-NH1 2.82Å; D613-R624 PolarHBondContact OD2-NH1 3.19Å; D613-R624 IonicContact OD2-NH2 3.01Å
614	L	89.1	Confident	87.5	Confident	54 Å²	54	71 Å²	71	28%	0.283	39%	0.385	S	S	.	.	H	α-helix	trans	-63.8	-34.7	176.2	-63.5	171.9	0	0	0	113.3	Y604 N610 R611	Y604-L614 HydrophobicContact CD1-CB 4.22Å; Y604-L614 HydrophobicContact CD1-CD1 3.85Å; Y604-L614 HydrophobicContact CD2-CB 4.04Å; Y604-L614 HydrophobicContact CE1-CB 4.02Å; Y604-L614 HydrophobicContact CE1-CD1 3.86Å; Y604-L614 HydrophobicContact CE1-CG 4.45Å; Y604-L614 HydrophobicContact CE2-CB 3.8Å; Y604-L614 HydrophobicContact CG-CB 4.23Å; Y604-L614 HydrophobicContact CG-CD1 4.47Å; N610-L614 PolarHBondContact O-N 2.97Å; R611-L614 PolarHBondContact O-N 2.85Å
615	I	91.5	Very high	87.3	Confident	1 Å²	1	78 Å²	78	1%	0.005	41%	0.411	C	S	.	.	H	α-helix	trans	-70.3	-42.5	174.9	-69.3	170.5	0	0	0	110.8	L597 L601 Y604 R611 W612 D613 E617 R618 C627	L597-I615 HydrophobicContact CD1-CG2 3.62Å; L601-I615 HydrophobicContact CD2-CD1 3.85Å; L601-I615 HydrophobicContact CG-CD1 4.38Å; Y604-I615 HydrophobicContact CD2-CG1 3.74Å; R611-I615 HydrophobicContact CG-CD1 3.78Å; R611-I615 VanDerWaalsContact O-CG1 3.27Å; R611-I615 WeakPolarHBondContact O-CG1 3.47Å; R611-I615 PolarHBondContact O-N 2.9Å; R611-I615 VanDerWaalsContact O-N 3.09Å; W612-I615 HydrophobicContact CE3-CD1 4.13Å; W612-I615 HydrophobicContact CZ3-CD1 4.22Å; D613-I615 VanDerWaalsContact C-N 3.33Å; D613-I615 PolarHBondContact O-N 3.03Å; I615-E617 VanDerWaalsContact C-N 3.3Å; I615-E617 PolarHBondContact O-N 3.17Å; I615-R618 PolarHBondContact O-N 3.45Å; I615-C627 HydrophobicContact CG2-CB 4.32Å
616	A	90	Very high	87.4	Confident	15 Å²	15	78.1 Å²	78.1	12%	0.124	41%	0.406	C	S	.	.	H	α-helix	trans	-65.9	-34.7	178.3	0	0	0	0	0	111.9	W612 D613 R618 L619 R624	W612-A616 WeakPolarHBondContact O-CB 3.26Å; W612-A616 PolarHBondContact O-N 2.76Å; D613-A616 PolarHBondContact O-N 3.37Å; A616-R618 VanDerWaalsContact C-N 3.26Å; A616-R618 PolarHBondContact O-N 3.35Å; A616-L619 CarbonylContact O-C 3.22Å; A616-L619 WeakPolarHBondContact O-CA 3.35Å; A616-L619 PolarHBondContact O-N 3.01Å; A616-R624 HydrophobicContact CB-CB 4.23Å
617	E	88.4	Confident	87.6	Confident	154 Å²	154	73.4 Å²	73.4	72%	0.72	37%	0.373	S	S	*	.	H	α-helix	trans	-62.1	-31.5	175.7	-167.9	175.2	-172.8	0	0	112.9	D613 I615 L619	D613-E617 PolarHBondContact O-N 2.73Å; I615-E617 VanDerWaalsContact C-N 3.3Å; I615-E617 PolarHBondContact O-N 3.17Å; E617-L619 PolarHBondContact O-N 2.69Å
618	R	87.7	Confident	87.9	Confident	101 Å²	101	69 Å²	69	38%	0.381	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-13	171.7	-87.9	-157.4	174.3	-145.9	-1	114.2	E599 I603 I615 A616 P620	E599-R618 IonicContact OE2-NH1 3.66Å; E599-R618 PolarHBondContact OE2-NH1 3.34Å; I603-R618 VanDerWaalsContact CD1-CZ 3.45Å; I615-R618 PolarHBondContact O-N 3.45Å; A616-R618 VanDerWaalsContact C-N 3.26Å; A616-R618 PolarHBondContact O-N 3.35Å; R618-P620 WeakPolarHBondContact O-CD 3.31Å
619	L	88.9	Confident	88.2	Confident	3 Å²	3	69 Å²	69	2%	0.016	35%	0.346	C	S	.	.			trans	-116.6	85.6	-178.1	-72.3	167.4	0	0	0	109.4	W589 E593 L596 L597 A616 E617 N621 R622 C627	W589-L619 HydrophobicContact CH2-CD1 4.1Å; W589-L619 HydrophobicContact CZ3-CD1 4.15Å; E593-L619 HydrophobicContact CB-CD2 4.23Å; E593-L619 HydrophobicContact CG-CD2 4.49Å; L596-L619 HydrophobicContact CB-CD2 3.51Å; L596-L619 HydrophobicContact CB-CG 4.33Å; L596-L619 HydrophobicContact CD1-CD2 3.98Å; L596-L619 HydrophobicContact CG-CD2 4.42Å; L597-L619 HydrophobicContact CB-CD1 4.23Å; L597-L619 HydrophobicContact CD1-CD1 4.29Å; A616-L619 CarbonylContact O-C 3.22Å; A616-L619 WeakPolarHBondContact O-CA 3.35Å; A616-L619 PolarHBondContact O-N 3.01Å; E617-L619 PolarHBondContact O-N 2.69Å; L619-N621 PolarHBondContact O-N 3.3Å; L619-R622 HydrophobicContact CB-CB 3.95Å; L619-R622 HydrophobicContact CB-CG 4.46Å; L619-R622 HydrophobicContact CD1-CB 4.38Å; L619-R622 PolarHBondContact O-N 3.03Å; L619-C627 VanDerWaalsContact CD1-SG 3.56Å
620	P	78.4	Confident	88.5	Confident	115 Å²	115	67 Å²	67	75%	0.747	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.2	-171.1	22.4	-33.5	0	0	0	113.9	R618	R618-P620 WeakPolarHBondContact O-CD 3.31Å
621	N	82.2	Confident	88.8	Confident	114 Å²	114	66.7 Å²	66.7	61%	0.61	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	5	-178.6	-63	-35.2	0	0	0	114.1	L619	L619-N621 PolarHBondContact O-N 3.3Å
622	R	87.1	Confident	88.9	Confident	14 Å²	14	71.1 Å²	71.1	5%	0.053	34%	0.335	C	S	.	.			trans	-127.7	137.4	-178.7	-61.3	-64.3	-179.7	162.2	6.4	112.6	R587 A588 W589 E593 L619 E626	R587-R622 PolarHBondContact O-NH1 2.9Å; R587-R622 PolarHBondContact O-NH2 3.24Å; R587-R622 VanDerWaalsContact O-NH2 3.14Å; A588-R622 VanDerWaalsContact C-NH2 3.35Å; A588-R622 PolarHBondContact O-NH2 3.28Å; W589-R622 HydrophobicContact CH2-CG 4.22Å; W589-R622 HydrophobicContact CZ3-CG 4.49Å; E593-R622 IonicContact OE1-CZ 3.42Å; E593-R622 IonicContact OE1-NE 3.69Å; E593-R622 PolarHBondContact OE1-NE 3.37Å; E593-R622 IonicContact OE1-NH2 3.33Å; E593-R622 IonicContact OE2-CZ 3.48Å; E593-R622 IonicContact OE2-NE 3.49Å; E593-R622 PolarHBondContact OE2-NE 3.3Å; E593-R622 IonicContact OE2-NH2 3.19Å; E593-R622 PolarHBondContact OE2-NH2 2.9Å; L619-R622 HydrophobicContact CB-CB 3.95Å; L619-R622 HydrophobicContact CB-CG 4.46Å; L619-R622 HydrophobicContact CD1-CB 4.38Å; L619-R622 PolarHBondContact O-N 3.03Å; R622-E626 WeakPolarHBondContact CA-OE2 3.39Å; R622-E626 IonicContact NH1-OE1 3.77Å; R622-E626 PolarHBondContact NH1-OE1 2.94Å; R622-E626 VanDerWaalsContact NH1-OE1 3.09Å
623	S	88.8	Confident	88.9	Confident	56 Å²	56	73.3 Å²	73.3	39%	0.392	35%	0.347	S	S	.	.			trans	-79.2	158.9	177.1	65.9	0	0	0	0	112.6	R625 E626 C627	S623-R625 PolarHBondContact O-N 3.18Å; S623-R625 VanDerWaalsContact O-N 3.17Å; S623-E626 PolarHBondContact N-OE2 2.94Å; S623-E626 PolarHBondContact O-N 3.13Å; S623-E626 VanDerWaalsContact O-N 3.11Å; S623-E626 WeakPolarHBondContact OG-CG 3.43Å; S623-E626 PolarHBondContact OG-N 3.23Å; S623-E626 PolarHBondContact OG-OE2 3.22Å; S623-C627 PolarHBondContact O-N 3.32Å; S623-C627 VanDerWaalsContact O-N 3.09Å; S623-C627 PolarHBondContact O-SG 2.6Å
624	R	89.4	Confident	88.9	Confident	113 Å²	113	72.5 Å²	72.5	43%	0.426	34%	0.342	S	S	.	.	H	α-helix	trans	-47.8	-42.2	169	-172.9	-161	179.5	140.8	-1.8	112.1	W612 D613 A616 C627 V628	W612-R624 HydrophobicContact CB-CG 3.63Å; D613-R624 WeakPolarHBondContact OD1-CD 3.25Å; D613-R624 IonicContact OD1-CZ 3.29Å; D613-R624 VanDerWaalsContact OD1-CZ 3.31Å; D613-R624 IonicContact OD1-NE 3.52Å; D613-R624 PolarHBondContact OD1-NE 3.05Å; D613-R624 IonicContact OD1-NH1 2.84Å; D613-R624 PolarHBondContact OD1-NH1 3.08Å; D613-R624 IonicContact OD2-CZ 2.93Å; D613-R624 IonicContact OD2-NH1 2.82Å; D613-R624 PolarHBondContact OD2-NH1 3.19Å; D613-R624 IonicContact OD2-NH2 3.01Å; A616-R624 HydrophobicContact CB-CB 4.23Å; R624-C627 PolarHBondContact O-N 2.89Å; R624-V628 VanDerWaalsContact O-CG2 3.29Å; R624-V628 WeakPolarHBondContact O-CG2 3.44Å; R624-V628 PolarHBondContact O-N 2.94Å; R624-V628 VanDerWaalsContact O-N 3.12Å
625	R	87.3	Confident	89	Confident	195 Å²	195	71.5 Å²	71.5	74%	0.736	34%	0.342	S	S	*	.	H	α-helix	trans	-68	-40.7	-177.6	-172.9	178.6	-77.3	169.2	-2.9	111.8	S623 V628 N629	S623-R625 PolarHBondContact O-N 3.18Å; S623-R625 VanDerWaalsContact O-N 3.17Å; R625-V628 PolarHBondContact O-N 3.29Å; R625-N629 WeakPolarHBondContact O-CB 3.29Å; R625-N629 PolarHBondContact O-N 2.73Å
626	E	89.3	Confident	89	Confident	65 Å²	65	77.4 Å²	77.4	30%	0.304	37%	0.369	S	S	.	.	H	α-helix	trans	-65.4	-41.7	176	-73.2	168.9	117.3	0	0	111.9	W589 R622 S623 V628 N629 R630	W589-E626 HydrophobicContact CZ2-CB 4.47Å; R622-E626 WeakPolarHBondContact CA-OE2 3.39Å; R622-E626 IonicContact NH1-OE1 3.77Å; R622-E626 PolarHBondContact NH1-OE1 2.94Å; R622-E626 VanDerWaalsContact NH1-OE1 3.09Å; S623-E626 PolarHBondContact N-OE2 2.94Å; S623-E626 PolarHBondContact O-N 3.13Å; S623-E626 VanDerWaalsContact O-N 3.11Å; S623-E626 WeakPolarHBondContact OG-CG 3.43Å; S623-E626 PolarHBondContact OG-N 3.23Å; S623-E626 PolarHBondContact OG-OE2 3.22Å; E626-V628 PolarHBondContact O-N 3.2Å; E626-N629 PolarHBondContact O-N 2.98Å; E626-R630 WeakPolarHBondContact O-CB 2.9Å; E626-R630 PolarHBondContact O-N 2.78Å
627	C	90.4	Very high	89	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-60.9	-44.2	176.8	-61.5	0	0	0	0	111.9	L597 W612 I615 L619 S623 R624 R630 Y631	L597-C627 HydrophobicContact CD1-CB 4.08Å; W612-C627 HydrophobicContact CE3-CB 4.28Å; W612-C627 HydrophobicContact CZ3-CB 4.45Å; I615-C627 HydrophobicContact CG2-CB 4.32Å; L619-C627 VanDerWaalsContact CD1-SG 3.56Å; S623-C627 PolarHBondContact O-N 3.32Å; S623-C627 VanDerWaalsContact O-N 3.09Å; S623-C627 PolarHBondContact O-SG 2.6Å; R624-C627 PolarHBondContact O-N 2.89Å; C627-R630 PolarHBondContact O-N 3.25Å; C627-Y631 WeakPolarHBondContact O-CB 3.4Å; C627-Y631 PolarHBondContact O-N 2.59Å
628	V	91	Very high	89.1	Confident	30 Å²	30	77.4 Å²	77.4	18%	0.182	37%	0.374	C	S	.	.	H	α-helix	trans	-64.3	-44.8	176.9	172.8	0	0	0	0	111.4	W612 R624 R625 E626 Y631 K632	W612-V628 HydrophobicContact CB-CG2 4.21Å; W612-V628 HydrophobicContact CD2-CG2 3.36Å; W612-V628 HydrophobicContact CE3-CG2 3.61Å; W612-V628 HydrophobicContact CG-CG2 3.63Å; W612-V628 HydrophobicContact CZ2-CG2 4.3Å; W612-V628 HydrophobicContact CZ3-CG2 4.19Å; R624-V628 VanDerWaalsContact O-CG2 3.29Å; R624-V628 WeakPolarHBondContact O-CG2 3.44Å; R624-V628 PolarHBondContact O-N 2.94Å; R624-V628 VanDerWaalsContact O-N 3.12Å; R625-V628 PolarHBondContact O-N 3.29Å; E626-V628 PolarHBondContact O-N 3.2Å; V628-Y631 PolarHBondContact O-N 3.26Å; V628-K632 HydrophobicContact CG1-CD 4.46Å; V628-K632 WeakPolarHBondContact O-CG 3.25Å; V628-K632 PolarHBondContact O-N 2.9Å; V628-K632 VanDerWaalsContact O-N 3.08Å
629	N	90.9	Very high	89.3	Confident	79 Å²	79	80.8 Å²	80.8	42%	0.422	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-43.4	179.3	-76.1	-10.1	0	0	0	111.2	R625 E626 Y631 K632 E633	R625-N629 WeakPolarHBondContact O-CB 3.29Å; R625-N629 PolarHBondContact O-N 2.73Å; E626-N629 PolarHBondContact O-N 2.98Å; N629-Y631 VanDerWaalsContact C-N 3.35Å; N629-Y631 PolarHBondContact O-N 2.86Å; N629-K632 WeakPolarHBondContact O-CB 3.38Å; N629-K632 PolarHBondContact O-N 3.44Å; N629-K632 VanDerWaalsContact O-N 3.15Å; N629-E633 WeakPolarHBondContact O-CG 3.29Å; N629-E633 PolarHBondContact O-N 2.87Å
630	R	89.8	Confident	89.4	Confident	62 Å²	62	83.5 Å²	83.5	23%	0.234	41%	0.41	C	S	.	.	H	α-helix	trans	-62.1	-41.3	176.7	-173.8	58.2	174.8	172.3	-2.6	112.5	W589 Q594 L597 E626 C627 K632 E633 I634	W589-R630 HydrophobicContact CD2-CG 3.94Å; W589-R630 HydrophobicContact CE3-CG 4.42Å; W589-R630 HydrophobicContact CG-CG 4.46Å; W589-R630 HydrophobicContact CH2-CB 4.18Å; W589-R630 HydrophobicContact CH2-CG 4.2Å; W589-R630 HydrophobicContact CZ2-CB 3.43Å; W589-R630 VanDerWaalsContact CZ2-CB 3.43Å; W589-R630 HydrophobicContact CZ2-CG 3.66Å; Q594-R630 VanDerWaalsContact OE1-NE 3.13Å; L597-R630 HydrophobicContact CD2-CB 4.06Å; L597-R630 HydrophobicContact CD2-CG 3.61Å; E626-R630 WeakPolarHBondContact O-CB 2.9Å; E626-R630 PolarHBondContact O-N 2.78Å; C627-R630 PolarHBondContact O-N 3.25Å; R630-K632 VanDerWaalsContact C-N 3.34Å; R630-K632 PolarHBondContact O-N 3.24Å; R630-E633 IonicContact CZ-OE2 3.69Å; R630-E633 IonicContact NH1-OE2 2.76Å; R630-E633 PolarHBondContact NH1-OE2 2.79Å; R630-E633 PolarHBondContact O-N 3.4Å; R630-I634 HydrophobicContact CG-CD1 4.02Å; R630-I634 VanDerWaalsContact O-CG1 3.29Å; R630-I634 WeakPolarHBondContact O-CG1 3.24Å; R630-I634 PolarHBondContact O-N 3.17Å
631	Y	92.2	Very high	90	Very high	94 Å²	94	84.7 Å²	84.7	37%	0.369	40%	0.403	S	S	.	.	H	α-helix	trans	-60.9	-41.2	173.9	173.8	-98.9	0	0	0	112.6	L601 W612 C627 V628 N629 I634 A635	L601-Y631 HydrophobicContact CD1-CD2 3.93Å; L601-Y631 HydrophobicContact CD2-CD2 3.93Å; L601-Y631 HydrophobicContact CD2-CE2 4.26Å; W612-Y631 AromaticContact CH2-CD1 3.77Å; W612-Y631 HydrophobicContact CH2-CD1 3.77Å; W612-Y631 HydrophobicContact CH2-CD2 4.12Å; W612-Y631 AromaticContact CH2-CG 3.54Å; W612-Y631 HydrophobicContact CH2-CG 3.54Å; W612-Y631 HydrophobicContact CZ2-CD1 4.07Å; W612-Y631 HydrophobicContact CZ2-CG 4.3Å; W612-Y631 HydrophobicContact CZ3-CG 4.48Å; C627-Y631 WeakPolarHBondContact O-CB 3.4Å; C627-Y631 PolarHBondContact O-N 2.59Å; V628-Y631 PolarHBondContact O-N 3.26Å; N629-Y631 VanDerWaalsContact C-N 3.35Å; N629-Y631 PolarHBondContact O-N 2.86Å; Y631-I634 PolarHBondContact O-N 3.48Å; Y631-A635 WeakPolarHBondContact O-CB 3.5Å; Y631-A635 PolarHBondContact O-N 3.01Å
632	K	92.2	Very high	90.3	Very high	121 Å²	121	86.6 Å²	86.6	53%	0.526	41%	0.406	S	S	.	.	H	α-helix	trans	-62.9	-43.9	176.3	-71.7	174.8	-179.7	177.4	0	111.7	V628 N629 R630 A635 E636	V628-K632 HydrophobicContact CG1-CD 4.46Å; V628-K632 WeakPolarHBondContact O-CG 3.25Å; V628-K632 PolarHBondContact O-N 2.9Å; V628-K632 VanDerWaalsContact O-N 3.08Å; N629-K632 WeakPolarHBondContact O-CB 3.38Å; N629-K632 PolarHBondContact O-N 3.44Å; N629-K632 VanDerWaalsContact O-N 3.15Å; R630-K632 VanDerWaalsContact C-N 3.34Å; R630-K632 PolarHBondContact O-N 3.24Å; K632-A635 PolarHBondContact O-N 3.04Å; K632-E636 WeakPolarHBondContact O-CG 3.42Å; K632-E636 PolarHBondContact O-N 3.07Å
633	E	91.3	Very high	90.4	Very high	91 Å²	91	88 Å²	88	43%	0.425	42%	0.421	S	S	.	.	H	α-helix	trans	-58.6	-47.4	174.6	-70.4	172.3	-169.8	0	0	111.6	N629 R630 A635 E636 I637	N629-E633 WeakPolarHBondContact O-CG 3.29Å; N629-E633 PolarHBondContact O-N 2.87Å; R630-E633 IonicContact CZ-OE2 3.69Å; R630-E633 IonicContact NH1-OE2 2.76Å; R630-E633 PolarHBondContact NH1-OE2 2.79Å; R630-E633 PolarHBondContact O-N 3.4Å; E633-A635 VanDerWaalsContact C-N 3.34Å; E633-A635 PolarHBondContact O-N 3.28Å; E633-E636 PolarHBondContact O-N 3.12Å; E633-I637 VanDerWaalsContact O-CG1 3.28Å; E633-I637 WeakPolarHBondContact O-CG1 3.41Å; E633-I637 PolarHBondContact O-N 3.39Å
634	I	90.6	Very high	90.3	Very high	46 Å²	46	88.1 Å²	88.1	24%	0.236	43%	0.426	C	S	.	.	H	α-helix	trans	-62	-42.9	177.9	-66.1	164.6	0	0	0	110.5	Q594 L597 R630 Y631 E636 I637 V638	Q594-I634 VanDerWaalsContact NE2-CD1 3.33Å; L597-I634 HydrophobicContact CD2-CD1 4.37Å; R630-I634 HydrophobicContact CG-CD1 4.02Å; R630-I634 VanDerWaalsContact O-CG1 3.29Å; R630-I634 WeakPolarHBondContact O-CG1 3.24Å; R630-I634 PolarHBondContact O-N 3.17Å; Y631-I634 PolarHBondContact O-N 3.48Å; I634-E636 VanDerWaalsContact C-N 3.33Å; I634-E636 PolarHBondContact O-N 3.02Å; I634-I637 PolarHBondContact O-N 2.84Å; I634-V638 HydrophobicContact CG2-CG2 4.32Å; I634-V638 WeakPolarHBondContact O-CB 3.47Å; I634-V638 VanDerWaalsContact O-CG2 3.3Å; I634-V638 WeakPolarHBondContact O-CG2 3.32Å; I634-V638 PolarHBondContact O-N 3.24Å
635	A	90.8	Very high	90.1	Very high	33 Å²	33	88 Å²	88	27%	0.273	43%	0.433	S	S	.	.	H	α-helix	trans	-63	-37.9	177.8	0	0	0	0	0	112.4	Y631 K632 E633 R639	Y631-A635 WeakPolarHBondContact O-CB 3.5Å; Y631-A635 PolarHBondContact O-N 3.01Å; K632-A635 PolarHBondContact O-N 3.04Å; E633-A635 VanDerWaalsContact C-N 3.34Å; E633-A635 PolarHBondContact O-N 3.28Å; A635-R639 VanDerWaalsContact O-CB 3.27Å; A635-R639 WeakPolarHBondContact O-CB 3.32Å; A635-R639 PolarHBondContact O-N 3.26Å
636	E	91.6	Very high	89.9	Confident	125 Å²	125	84.4 Å²	84.4	58%	0.584	42%	0.424	S	S	*	.	H	α-helix	trans	-67.1	-42.9	173.5	-75.2	-176.5	178.8	0	0	112.2	K632 E633 I634 R639 A640	K632-E636 WeakPolarHBondContact O-CG 3.42Å; K632-E636 PolarHBondContact O-N 3.07Å; E633-E636 PolarHBondContact O-N 3.12Å; I634-E636 VanDerWaalsContact C-N 3.33Å; I634-E636 PolarHBondContact O-N 3.02Å; E636-R639 PolarHBondContact O-N 2.71Å; E636-A640 WeakPolarHBondContact O-CB 3.4Å; E636-A640 PolarHBondContact O-N 3.47Å
637	I	91.2	Very high	89.4	Confident	79 Å²	79	89.1 Å²	89.1	41%	0.405	44%	0.444	S	S	.	.	H	α-helix	trans	-61.8	-45.3	176.2	-68	164.2	0	0	0	110.6	E633 I634 A640 K641	E633-I637 VanDerWaalsContact O-CG1 3.28Å; E633-I637 WeakPolarHBondContact O-CG1 3.41Å; E633-I637 PolarHBondContact O-N 3.39Å; I634-I637 PolarHBondContact O-N 2.84Å; I637-A640 PolarHBondContact O-N 2.91Å; I637-K641 WeakPolarHBondContact O-CB 3.32Å; I637-K641 PolarHBondContact O-N 3.42Å
638	V	89.6	Confident	88.8	Confident	89 Å²	89	95.5 Å²	95.5	54%	0.539	47%	0.474	S	S	.	.	H	α-helix	trans	-64	-42.5	177.4	171.7	0	0	0	0	110.8	I634 K641 K642	I634-V638 HydrophobicContact CG2-CG2 4.32Å; I634-V638 WeakPolarHBondContact O-CB 3.47Å; I634-V638 VanDerWaalsContact O-CG2 3.3Å; I634-V638 WeakPolarHBondContact O-CG2 3.32Å; I634-V638 PolarHBondContact O-N 3.24Å; V638-K641 PolarHBondContact O-N 3.29Å; V638-K642 WeakPolarHBondContact O-CB 3.42Å; V638-K642 PolarHBondContact O-N 3.26Å
639	R	92	Very high	88	Confident	172 Å²	172	97.3 Å²	97.3	65%	0.649	49%	0.487	S	S	*	.	H	α-helix	trans	-61.8	-43.9	175.6	-171.8	-174.5	-61	153.2	2	111.5	A635 E636 K642 A643	A635-R639 VanDerWaalsContact O-CB 3.27Å; A635-R639 WeakPolarHBondContact O-CB 3.32Å; A635-R639 PolarHBondContact O-N 3.26Å; E636-R639 PolarHBondContact O-N 2.71Å; R639-K642 PolarHBondContact O-N 3.17Å; R639-A643 WeakPolarHBondContact O-CB 3.25Å; R639-A643 PolarHBondContact O-N 3.08Å
640	A	90.6	Very high	87.1	Confident	61 Å²	61	98.6 Å²	98.6	50%	0.504	49%	0.494	S	S	.	.	H	α-helix	trans	-63.5	-42.8	176.7	0	0	0	0	0	111.7	E636 I637 A643 A644	E636-A640 WeakPolarHBondContact O-CB 3.4Å; E636-A640 PolarHBondContact O-N 3.47Å; I637-A640 PolarHBondContact O-N 2.91Å; A640-A643 PolarHBondContact O-N 3.32Å; A640-A644 WeakPolarHBondContact O-CB 3.42Å; A640-A644 PolarHBondContact O-N 3.35Å
641	K	91.5	Very high	85.9	Confident	139 Å²	139	98.8 Å²	98.8	60%	0.604	52%	0.515	S	S	*	.	H	α-helix	trans	-62.4	-43.2	175.6	-171.2	176.1	-179.3	179.4	0	111.8	I637 V638 A644 L645	I637-K641 WeakPolarHBondContact O-CB 3.32Å; I637-K641 PolarHBondContact O-N 3.42Å; V638-K641 PolarHBondContact O-N 3.29Å; K641-A644 PolarHBondContact O-N 3.38Å; K641-L645 HydrophobicContact CG-CD1 4.2Å; K641-L645 WeakPolarHBondContact O-CB 3.38Å; K641-L645 WeakPolarHBondContact O-CG 3.21Å; K641-L645 PolarHBondContact O-N 3.2Å
642	K	89.8	Confident	83.9	Confident	154 Å²	154	101 Å²	101	67%	0.67	53%	0.532	S	S	*	.	H	α-helix	trans	-64.3	-42.3	176.2	-168.2	176.8	-178.4	179.2	0	111.7	V638 R639 L645 Q646	V638-K642 WeakPolarHBondContact O-CB 3.42Å; V638-K642 PolarHBondContact O-N 3.26Å; R639-K642 PolarHBondContact O-N 3.17Å; K642-L645 PolarHBondContact O-N 3.33Å; K642-Q646 WeakPolarHBondContact O-CB 3.44Å; K642-Q646 PolarHBondContact O-N 3.17Å
643	A	87.3	Confident	81.5	Confident	44 Å²	44	108.2 Å²	108.2	36%	0.364	56%	0.557	S	S	.	*	H	α-helix	trans	-64.6	-38.7	176	0	0	0	0	0	112.3	R639 A640 Q646 K647	R639-A643 WeakPolarHBondContact O-CB 3.25Å; R639-A643 PolarHBondContact O-N 3.08Å; A640-A643 PolarHBondContact O-N 3.32Å; A643-Q646 PolarHBondContact O-N 3.48Å; A643-K647 WeakPolarHBondContact O-CG 3.19Å; A643-K647 PolarHBondContact O-N 2.96Å
644	A	87.5	Confident	81	Confident	59 Å²	59	109.1 Å²	109.1	49%	0.488	56%	0.563	S	S	.	*	H	α-helix	trans	-65.9	-44.4	175	0	0	0	0	0	112	A640 K641 Q646 K647 H648	A640-A644 WeakPolarHBondContact O-CB 3.42Å; A640-A644 PolarHBondContact O-N 3.35Å; K641-A644 PolarHBondContact O-N 3.38Å; A644-Q646 VanDerWaalsContact C-N 3.34Å; A644-Q646 PolarHBondContact O-N 2.85Å; A644-K647 PolarHBondContact O-N 2.84Å; A644-H648 PolarHBondContact O-N 3.37Å
645	L	85.9	Confident	80.5	Confident	109 Å²	109	112.4 Å²	112.4	57%	0.571	58%	0.58	S	S	*	*	H	α-helix	trans	-61.9	-40.4	174.8	-77.6	162.8	0	0	0	112.1	K641 K642 H648 S649	K641-L645 HydrophobicContact CG-CD1 4.2Å; K641-L645 WeakPolarHBondContact O-CB 3.38Å; K641-L645 WeakPolarHBondContact O-CG 3.21Å; K641-L645 PolarHBondContact O-N 3.2Å; K642-L645 PolarHBondContact O-N 3.33Å; L645-H648 PolarHBondContact O-N 3.45Å; L645-S649 WeakPolarHBondContact O-CB 3.45Å; L645-S649 PolarHBondContact O-N 3.44Å
646	Q	81.5	Confident	79.9	Confident	121 Å²	121	116.8 Å²	116.8	57%	0.565	60%	0.598	S	S	*	*	H	α-helix	trans	-66.7	-38.9	177.2	-169	173	12.2	0	0	112	K642 A643 A644 S649 N650	K642-Q646 WeakPolarHBondContact O-CB 3.44Å; K642-Q646 PolarHBondContact O-N 3.17Å; A643-Q646 PolarHBondContact O-N 3.48Å; A644-Q646 VanDerWaalsContact C-N 3.34Å; A644-Q646 PolarHBondContact O-N 2.85Å; Q646-S649 PolarHBondContact O-N 3.23Å; Q646-N650 WeakPolarHBondContact O-CB 3.49Å; Q646-N650 PolarHBondContact O-N 3.05Å
647	K	80.2	Confident	79.3	Confident	163 Å²	163	116.4 Å²	116.4	71%	0.709	60%	0.598	S	S	*	*	H	α-helix	trans	-63.5	-42	172.1	-74.9	-179.1	178.9	-171.2	0	112	A643 A644 N650 G651	A643-K647 WeakPolarHBondContact O-CG 3.19Å; A643-K647 PolarHBondContact O-N 2.96Å; A644-K647 PolarHBondContact O-N 2.84Å; K647-N650 PolarHBondContact O-N 2.78Å; K647-G651 PolarHBondContact O-N 2.67Å
648	H	78.2	Confident	78.5	Confident	135 Å²	135	118.7 Å²	118.7	63%	0.625	61%	0.61	S	S	*	*	H	α-helix	trans	-66.1	-38.9	176.9	-164.9	-66	0	0	0	111.9	A644 L645 G651 L652	A644-H648 PolarHBondContact O-N 3.37Å; L645-H648 PolarHBondContact O-N 3.45Å; H648-G651 PolarHBondContact O-N 3.01Å; H648-L652 WeakPolarHBondContact CE1-CD1 3.28Å; H648-L652 WeakPolarHBondContact ND1-CD1 3.24Å; H648-L652 WeakPolarHBondContact O-CD1 3.42Å; H648-L652 PolarHBondContact O-N 2.86Å
649	S	73.9	Confident	77.8	Confident	68 Å²	68	120.7 Å²	120.7	48%	0.476	62%	0.615	S	S	.	*	H	α-helix	trans	-65.9	-38.6	174	178.8	0	0	0	0	112.5	L645 Q646 G651	L645-S649 WeakPolarHBondContact O-CB 3.45Å; L645-S649 PolarHBondContact O-N 3.44Å; Q646-S649 PolarHBondContact O-N 3.23Å; S649-G651 VanDerWaalsContact C-N 3.33Å
650	N	70.9	Confident	76.8	Confident	106 Å²	106	117 Å²	117	57%	0.567	61%	0.613	S	S	*	*	H	α-helix	trans	-76.8	-20.1	178.4	-78.9	4.1	0	0	0	112.8	Q646 K647	Q646-N650 WeakPolarHBondContact O-CB 3.49Å; Q646-N650 PolarHBondContact O-N 3.05Å; K647-N650 PolarHBondContact O-N 2.78Å
651	G	64.7	Low	75.7	Confident	65 Å²	65	121.3 Å²	121.3	67%	0.67	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-10.7	174.6	0	0	0	0	0	114.3	K647 H648 S649	K647-G651 PolarHBondContact O-N 2.67Å; H648-G651 PolarHBondContact O-N 3.01Å; S649-G651 VanDerWaalsContact C-N 3.33Å
652	L	50.6	Low	74.4	Confident	140 Å²	140	119.8 Å²	119.8	73%	0.733	62%	0.623	S	S	*	*			trans	-95.4	-12	174.1	-102.8	100.3	0	0	0	113.8	H648	H648-L652 WeakPolarHBondContact CE1-CD1 3.28Å; H648-L652 WeakPolarHBondContact ND1-CD1 3.24Å; H648-L652 WeakPolarHBondContact O-CD1 3.42Å; H648-L652 PolarHBondContact O-N 2.86Å
653	R	42	Very low	73	Confident	274 Å²	274	116.7 Å²	116.7	100%	1.034	62%	0.618	S	S	*	*			trans	-96	0	167.5	-76.7	-172.3	-178.3	-164.7	0.1	108.6

Retrieved 653 of 653 residues in 243.6 ms (Link to these results)

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