A0A087XZP1_POEFO Loading...

Epidermal growth factor receptor kinase substrate 8-like protein 2

Stimulates guanine exchange activity of SOS1. May play a role in membrane ruffling and remodeling of the actin cytoskeleton. In the cochlea, is required for stereocilia maintenance in adult hair cells.

AlphaFold DB , UniProt , Accession A0A087XZP1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 674 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	35.1	Very low	30.5	Very low	197 Å²	197	140.1 Å²	140.1	97%	0.97	80%	0.801	S	S	*	*				0	133.7	0	-82.2	-55.4	-175.8	0	0	108.9	E3	M1-E3 HydrophobicContact CE-CG 4.49Å; M1-E3 HydrophobicContact SD-CB 4.46Å; M1-E3 HydrophobicContact SD-CG 3.89Å
2	P	41.4	Very low	30	Very low	119 Å²	119	137.8 Å²	137.8	77%	0.773	80%	0.8	S	S	*	*			cis	-81	165.7	-18.1	37.1	-33.5	0	0	0	110
3	E	30.8	Very low	29.8	Very low	150 Å²	150	145.2 Å²	145.2	70%	0.701	81%	0.806	S	S	*	*			cis	74.4	93	29.1	-68.9	-164.9	154.4	0	0	116.2	M1	M1-E3 HydrophobicContact CE-CG 4.49Å; M1-E3 HydrophobicContact SD-CB 4.46Å; M1-E3 HydrophobicContact SD-CG 3.89Å
4	I	30.6	Very low	29.2	Very low	167 Å²	167	148 Å²	148	86%	0.856	81%	0.81	S	S	*	*			trans	-131.2	114.5	145.5	-60.8	-177.2	0	0	0	106.9
5	M	31.6	Very low	28.8	Very low	164 Å²	164	144.3 Å²	144.3	81%	0.808	81%	0.807	S	S	*	*			trans	-73.5	143.7	170.6	-66.2	163.3	61	0	0	109.6
6	N	26.8	Very low	28.5	Very low	159 Å²	159	145.1 Å²	145.1	85%	0.85	81%	0.809	S	S	*	*			trans	-143.4	106.3	162.4	-143.6	-0	0	0	0	110
7	S	28.6	Very low	28.3	Very low	94 Å²	94	140.9 Å²	140.9	66%	0.657	81%	0.806	S	S	*	*			trans	-80.7	132.6	-176.3	-56	0	0	0	0	110.7	G9	S7-G9 PolarHBondContact O-N 2.82Å; S7-G9 VanDerWaalsContact O-N 3.1Å
8	P	29.8	Very low	28.2	Very low	131 Å²	131	140.3 Å²	140.3	85%	0.851	81%	0.805	S	S	*	*			trans	-69.4	109.1	168.7	28.5	-31.9	0	0	0	109.3
9	G	29.3	Very low	28	Very low	57 Å²	57	137.6 Å²	137.6	59%	0.588	80%	0.801	S	S	*	*			trans	-64.7	161.5	170.6	0	0	0	0	0	112	S7 L11	S7-G9 PolarHBondContact O-N 2.82Å; S7-G9 VanDerWaalsContact O-N 3.1Å; G9-L11 PolarHBondContact O-N 2.99Å
10	P	26.6	Very low	27.8	Very low	133 Å²	133	142.5 Å²	142.5	86%	0.864	81%	0.806	S	S	*	*			trans	-61.2	128.5	-179.5	25.7	-34	0	0	0	111	S12	P10-S12 PolarHBondContact O-N 2.81Å
11	L	25	Very low	27.8	Very low	170 Å²	170	140.1 Å²	140.1	89%	0.89	80%	0.798	S	S	*	*			trans	-64.1	101.5	175.9	-80.3	164.7	0	0	0	110.1	G9 R13	G9-L11 PolarHBondContact O-N 2.99Å; L11-R13 PolarHBondContact O-N 3.46Å
12	S	25.1	Very low	27.4	Very low	113 Å²	113	138.9 Å²	138.9	79%	0.79	80%	0.796	S	S	*	*			trans	-61.4	96.7	169.4	-175.5	0	0	0	0	109.3	P10 Q14	P10-S12 PolarHBondContact O-N 2.81Å; S12-Q14 PolarHBondContact O-N 3.22Å; S12-Q14 VanDerWaalsContact O-N 3.1Å
13	R	26.3	Very low	27	Very low	234 Å²	234	137.5 Å²	137.5	88%	0.883	79%	0.789	S	S	*	*			trans	-64	110.9	169.4	-78.5	-174.7	171.2	-175.3	-2.8	107.8	L11 A15	L11-R13 PolarHBondContact O-N 3.46Å; R13-A15 PolarHBondContact O-N 3.46Å
14	Q	22.4	Very low	27.7	Very low	184 Å²	184	136.6 Å²	136.6	86%	0.86	78%	0.783	S	S	*	*			trans	-57.9	107.6	164.4	-72.9	176.2	-33.5	0	0	107.9	S12 N16	S12-Q14 PolarHBondContact O-N 3.22Å; S12-Q14 VanDerWaalsContact O-N 3.1Å; Q14-N16 PolarHBondContact O-N 3.13Å
15	A	23.3	Very low	28.5	Very low	92 Å²	92	132.5 Å²	132.5	76%	0.76	76%	0.762	S	S	*	*			trans	-67.3	126.7	167.6	0	0	0	0	0	107.7	R13 G17	R13-A15 PolarHBondContact O-N 3.46Å; A15-G17 VanDerWaalsContact C-N 3.3Å; A15-G17 PolarHBondContact O-N 3.5Å
16	N	23.7	Very low	29.6	Very low	158 Å²	158	127.2 Å²	127.2	85%	0.845	74%	0.741	S	S	*	*			trans	-64.2	95.6	170.2	-84.4	-12.1	0	0	0	108.5	Q14 V18	Q14-N16 PolarHBondContact O-N 3.13Å; N16-V18 PolarHBondContact O-N 3.26Å
17	G	24.3	Very low	30.5	Very low	74 Å²	74	119.7 Å²	119.7	76%	0.763	70%	0.701	S	S	*	*			trans	-71.1	76.4	179.1	0	0	0	0	0	111.1	A15 A19	A15-G17 VanDerWaalsContact C-N 3.3Å; A15-G17 PolarHBondContact O-N 3.5Å; G17-A19 PolarHBondContact O-N 3.37Å
18	V	27.3	Very low	31.2	Very low	129 Å²	129	120.5 Å²	120.5	78%	0.782	69%	0.693	S	S	*	*			trans	-57.4	111.8	163.1	-179.9	0	0	0	0	106.7	N16 R20	N16-V18 PolarHBondContact O-N 3.26Å; V18-R20 PolarHBondContact O-N 3.06Å; V18-R20 VanDerWaalsContact O-N 3.09Å
19	A	23.3	Very low	32.2	Very low	89 Å²	89	116.6 Å²	116.6	74%	0.736	67%	0.672	S	S	*	*			trans	-59.8	116.5	-179.3	0	0	0	0	0	108.8	G17 S21	G17-A19 PolarHBondContact O-N 3.37Å; A19-S21 PolarHBondContact O-N 3.42Å
20	R	25.7	Very low	33.1	Very low	236 Å²	236	114.4 Å²	114.4	89%	0.891	65%	0.647	S	S	*	*			trans	-64.8	109.4	174.5	-74.1	-177.4	173.9	178.3	-2.7	108.5	V18	V18-R20 PolarHBondContact O-N 3.06Å; V18-R20 VanDerWaalsContact O-N 3.09Å
21	S	26.9	Very low	34	Very low	93 Å²	93	111.6 Å²	111.6	65%	0.65	62%	0.619	S	S	*	*			trans	-66.8	139.1	156.5	48.3	0	0	0	0	108.5	A19 S23	A19-S21 PolarHBondContact O-N 3.42Å; S21-S23 PolarHBondContact O-N 3.31Å; S21-S23 PolarHBondContact O-OG 3.2Å
22	D	27.4	Very low	35	Very low	170 Å²	170	107.1 Å²	107.1	91%	0.909	59%	0.594	S	S	*	*			trans	-74.7	60.5	179.5	-77.9	-49.9	0	0	0	111.8	K24	D22-K24 PolarHBondContact O-N 3.39Å; D22-K24 VanDerWaalsContact O-N 3.13Å
23	S	33.2	Very low	36	Very low	91 Å²	91	105 Å²	105	64%	0.636	57%	0.571	S	S	*	*			trans	-73.9	97.3	172.1	47.5	0	0	0	0	109.8	S21 L25	S21-S23 PolarHBondContact O-N 3.31Å; S21-S23 PolarHBondContact O-OG 3.2Å; S23-L25 PolarHBondContact O-N 3.41Å
24	K	44.7	Very low	36.8	Very low	130 Å²	130	97.7 Å²	97.7	57%	0.565	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-49.3	126.4	165.7	-79.6	-173.4	170.7	-170.3	0	109.4	D22 S26	D22-K24 PolarHBondContact O-N 3.39Å; D22-K24 VanDerWaalsContact O-N 3.13Å; K24-S26 PolarHBondContact O-N 3.27Å
25	L	47.3	Very low	37.7	Very low	81 Å²	81	94.5 Å²	94.5	42%	0.424	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-60.7	127	176.3	-74.3	88.1	0	0	0	110.1	S23 L30 P199	S23-L25 PolarHBondContact O-N 3.41Å; L25-L30 HydrophobicContact CB-CD1 4.39Å; L25-L30 HydrophobicContact CB-CD2 4.49Å; L25-L30 HydrophobicContact CB-CG 4.19Å; L25-L30 HydrophobicContact CD2-CD2 3.96Å; L25-L30 HydrophobicContact CD2-CG 4.45Å; L25-P199 HydrophobicContact CD1-CG 4.47Å
26	S	53.8	Low	38.5	Very low	54 Å²	54	96.5 Å²	96.5	38%	0.378	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-65.5	142.9	174.6	172.9	0	0	0	0	110.9	K24 K28 A29 L30	K24-S26 PolarHBondContact O-N 3.27Å; S26-K28 PolarHBondContact O-N 3.45Å; S26-K28 PolarHBondContact OG-N 3.42Å; S26-A29 WeakPolarHBondContact O-CA 3.42Å; S26-A29 WeakPolarHBondContact O-CB 3.49Å; S26-A29 PolarHBondContact O-N 3.42Å; S26-L30 PolarHBondContact O-N 3.45Å
27	A	45.8	Very low	39.6	Very low	1 Å²	1	93.1 Å²	93.1	1%	0.008	50%	0.495	C	S	.	.	H	α-helix	trans	-60.9	-30.4	174.6	0	0	0	0	0	112.5	Y31 C609 L610 L613 V629	A27-Y31 WeakPolarHBondContact O-CB 3.48Å; A27-Y31 PolarHBondContact O-N 3.16Å; A27-C609 WeakPolarHBondContact CB-O 3.39Å; A27-L610 HydrophobicContact CB-CD2 4.27Å; A27-L613 HydrophobicContact CB-CD1 3.97Å; A27-L613 HydrophobicContact CB-CD2 4.16Å; A27-L613 HydrophobicContact CB-CG 4.41Å; A27-V629 HydrophobicContact CB-CG1 4.39Å; A27-V629 HydrophobicContact CB-CG2 4.2Å
28	K	44.3	Very low	40.5	Very low	110 Å²	110	92 Å²	92	48%	0.478	48%	0.475	S	S	.	.	H	α-helix	trans	-67.9	-37.3	171.7	-173.7	-174.6	176.5	-166.1	0	111.6	S26 Y31 E32 I612	S26-K28 PolarHBondContact O-N 3.45Å; S26-K28 PolarHBondContact OG-N 3.42Å; K28-Y31 PolarHBondContact O-N 3.48Å; K28-E32 PolarHBondContact O-N 3.22Å; K28-I612 HydrophobicContact CB-CD1 3.88Å
29	A	50.8	Low	41.5	Very low	49 Å²	49	92 Å²	92	41%	0.405	47%	0.471	S	S	.	.	H	α-helix	trans	-67.9	-45.6	176.1	0	0	0	0	0	111.2	S26 Y31 E32 Q33	S26-A29 WeakPolarHBondContact O-CA 3.42Å; S26-A29 WeakPolarHBondContact O-CB 3.49Å; S26-A29 PolarHBondContact O-N 3.42Å; A29-Y31 VanDerWaalsContact C-N 3.29Å; A29-Y31 PolarHBondContact O-N 2.55Å; A29-E32 PolarHBondContact O-N 3.29Å; A29-Q33 WeakPolarHBondContact O-CB 3.42Å; A29-Q33 PolarHBondContact O-N 2.79Å
30	L	48.9	Very low	43	Very low	12 Å²	12	89 Å²	89	6%	0.063	44%	0.444	C	S	.	.	H	α-helix	trans	-59.5	-38.4	172.6	-73.4	169.2	0	0	0	112.1	L25 S26 R34 L198 V629	L25-L30 HydrophobicContact CB-CD1 4.39Å; L25-L30 HydrophobicContact CB-CD2 4.49Å; L25-L30 HydrophobicContact CB-CG 4.19Å; L25-L30 HydrophobicContact CD2-CD2 3.96Å; L25-L30 HydrophobicContact CD2-CG 4.45Å; S26-L30 PolarHBondContact O-N 3.45Å; L30-R34 WeakPolarHBondContact O-CB 3.41Å; L30-R34 PolarHBondContact O-N 3Å; L30-L198 HydrophobicContact CD2-CD2 4.2Å; L30-V629 HydrophobicContact CD1-CG2 4.32Å
31	Y	45.3	Very low	44.8	Very low	73 Å²	73	78 Å²	78	29%	0.286	40%	0.403	S	S	.	.	H	α-helix	trans	-67.8	-49.7	175.7	175.3	-95.5	0	0	0	113.2	A27 K28 A29 Q33 R34 K35 Q617	A27-Y31 WeakPolarHBondContact O-CB 3.48Å; A27-Y31 PolarHBondContact O-N 3.16Å; K28-Y31 PolarHBondContact O-N 3.48Å; A29-Y31 VanDerWaalsContact C-N 3.29Å; A29-Y31 PolarHBondContact O-N 2.55Å; Y31-Q33 VanDerWaalsContact C-N 3.35Å; Y31-R34 CarbonylContact O-C 3.57Å; Y31-R34 WeakPolarHBondContact O-CB 3.48Å; Y31-R34 PolarHBondContact O-N 3.22Å; Y31-K35 HydrophobicContact CE1-CD 4.3Å; Y31-K35 WeakPolarHBondContact O-CB 3.45Å; Y31-K35 PolarHBondContact O-N 2.79Å; Y31-Q617 HydrophobicContact CD1-CG 4.39Å; Y31-Q617 HydrophobicContact CD2-CB 4.45Å; Y31-Q617 HydrophobicContact CD2-CG 3.8Å; Y31-Q617 HydrophobicContact CE1-CG 4.26Å; Y31-Q617 HydrophobicContact CE2-CG 3.64Å; Y31-Q617 HydrophobicContact CG-CG 4.17Å
32	E	44.4	Very low	47.2	Very low	76 Å²	76	76.8 Å²	76.8	36%	0.355	39%	0.386	S	S	.	.	H	α-helix	trans	-69	-34	179.6	-71.3	-68.8	136.8	0	0	111.6	K28 A29 K35 K36	K28-E32 PolarHBondContact O-N 3.22Å; A29-E32 PolarHBondContact O-N 3.29Å; E32-K35 WeakPolarHBondContact O-CB 3.38Å; E32-K35 PolarHBondContact O-N 3.03Å; E32-K35 WeakPolarHBondContact OE1-CD 3.5Å; E32-K35 IonicContact OE1-NZ 2.61Å; E32-K35 PolarHBondContact OE1-NZ 3.38Å; E32-K35 WeakPolarHBondContact OE2-CD 3.5Å; E32-K35 WeakPolarHBondContact OE2-CE 3.33Å; E32-K35 IonicContact OE2-NZ 3.95Å; E32-K35 PolarHBondContact OE2-NZ 3.47Å; E32-K36 PolarHBondContact O-N 2.87Å; E32-K36 VanDerWaalsContact O-N 3.1Å
33	Q	46.6	Very low	49.5	Very low	69 Å²	69	69.8 Å²	69.8	32%	0.322	35%	0.349	S	S	.	.	H	α-helix	trans	-59.9	-49.4	168.1	-172.9	175.3	2.4	0	0	110.4	A29 Y31 K35 K36 Y37	A29-Q33 WeakPolarHBondContact O-CB 3.42Å; A29-Q33 PolarHBondContact O-N 2.79Å; Y31-Q33 VanDerWaalsContact C-N 3.35Å; Q33-K35 VanDerWaalsContact C-N 3.35Å; Q33-K35 PolarHBondContact O-N 3.01Å; Q33-K36 PolarHBondContact O-N 3.26Å; Q33-Y37 HydrophobicContact CG-CD2 3.99Å; Q33-Y37 HydrophobicContact CG-CE2 3.69Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.33Å; Q33-Y37 PolarHBondContact O-N 3.31Å
34	R	42.3	Very low	51.4	Low	80 Å²	80	71.7 Å²	71.7	30%	0.302	35%	0.349	S	S	.	.	H	α-helix	trans	-60.1	-40.4	173.2	-89.3	-170.3	168.9	169.1	8.5	113	L30 Y31 K36 Y37 S38 E625	L30-R34 WeakPolarHBondContact O-CB 3.41Å; L30-R34 PolarHBondContact O-N 3Å; Y31-R34 CarbonylContact O-C 3.57Å; Y31-R34 WeakPolarHBondContact O-CB 3.48Å; Y31-R34 PolarHBondContact O-N 3.22Å; R34-K36 PolarHBondContact O-N 3.37Å; R34-Y37 CarbonylContact O-C 3.55Å; R34-Y37 WeakPolarHBondContact O-CA 3.29Å; R34-Y37 PolarHBondContact O-N 2.9Å; R34-S38 WeakPolarHBondContact O-CA 3.02Å; R34-S38 WeakPolarHBondContact O-CB 3.43Å; R34-S38 PolarHBondContact O-N 2.99Å; R34-E625 IonicContact CZ-OE1 2.67Å; R34-E625 IonicContact CZ-OE2 3.17Å; R34-E625 IonicContact NE-OE1 2.62Å; R34-E625 IonicContact NH1-OE1 3.61Å; R34-E625 PolarHBondContact NH1-OE1 3.26Å; R34-E625 IonicContact NH1-OE2 3.37Å; R34-E625 PolarHBondContact NH1-OE2 2.95Å; R34-E625 IonicContact NH2-OE1 3.36Å; R34-E625 PolarHBondContact NH2-OE1 3.19Å; R34-E625 IonicContact NH2-OE2 2.92Å; R34-E625 PolarHBondContact NH2-OE2 3Å
35	K	42.6	Very low	52.6	Low	118 Å²	118	73.2 Å²	73.2	51%	0.513	36%	0.358	S	S	.	.	H	α-helix	trans	-58	-37.7	177.5	-177.4	-167.9	179	-174.5	0	111.4	Y31 E32 Q33 Y37	Y31-K35 HydrophobicContact CE1-CD 4.3Å; Y31-K35 WeakPolarHBondContact O-CB 3.45Å; Y31-K35 PolarHBondContact O-N 2.79Å; E32-K35 WeakPolarHBondContact O-CB 3.38Å; E32-K35 PolarHBondContact O-N 3.03Å; E32-K35 WeakPolarHBondContact OE1-CD 3.5Å; E32-K35 IonicContact OE1-NZ 2.61Å; E32-K35 PolarHBondContact OE1-NZ 3.38Å; E32-K35 WeakPolarHBondContact OE2-CD 3.5Å; E32-K35 WeakPolarHBondContact OE2-CE 3.33Å; E32-K35 IonicContact OE2-NZ 3.95Å; E32-K35 PolarHBondContact OE2-NZ 3.47Å; Q33-K35 VanDerWaalsContact C-N 3.35Å; Q33-K35 PolarHBondContact O-N 3.01Å; K35-Y37 VanDerWaalsContact C-N 3.35Å
36	K	40.8	Very low	54.2	Low	134 Å²	134	74.5 Å²	74.5	58%	0.583	36%	0.362	S	S	*	.	H	α-helix	trans	-68.7	-26.7	171.9	-158.4	175.3	-176	-177.8	0	113.7	E32 Q33 R34	E32-K36 PolarHBondContact O-N 2.87Å; E32-K36 VanDerWaalsContact O-N 3.1Å; Q33-K36 PolarHBondContact O-N 3.26Å; R34-K36 PolarHBondContact O-N 3.37Å
37	Y	45	Very low	55.7	Low	86 Å²	86	74.1 Å²	74.1	34%	0.337	36%	0.357	S	S	.	.	H	α-helix	trans	-103.8	-10	-178.4	-66.9	-61.3	0	0	0	116.2	Q33 R34 K35 Q155 R194 I197	Q33-Y37 HydrophobicContact CG-CD2 3.99Å; Q33-Y37 HydrophobicContact CG-CE2 3.69Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.33Å; Q33-Y37 PolarHBondContact O-N 3.31Å; R34-Y37 CarbonylContact O-C 3.55Å; R34-Y37 WeakPolarHBondContact O-CA 3.29Å; R34-Y37 PolarHBondContact O-N 2.9Å; K35-Y37 VanDerWaalsContact C-N 3.35Å; Y37-Q155 HydrophobicContact CD1-CG 3.9Å; Y37-Q155 HydrophobicContact CE1-CG 3.9Å; Y37-R194 PolarHBondContact O-NH2 2.88Å; Y37-I197 HydrophobicContact CD2-CD1 4.07Å; Y37-I197 HydrophobicContact CE2-CD1 4.22Å; Y37-I197 HydrophobicContact CG-CD1 4.5Å
38	S	43.4	Very low	57.9	Low	50 Å²	50	74 Å²	74	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-87.7	-43	-162	179.9	0	0	0	0	114.3	R34 R194	R34-S38 WeakPolarHBondContact O-CA 3.02Å; R34-S38 WeakPolarHBondContact O-CB 3.43Å; R34-S38 PolarHBondContact O-N 2.99Å; S38-R194 PolarHBondContact O-NH2 2.9Å
39	N	48.5	Very low	60.2	Low	130 Å²	130	69.1 Å²	69.1	70%	0.695	34%	0.336	S	S	*	.	S	Bend	trans	-117.8	-16.3	-161.3	-65.3	8	0	0	0	115.1
40	S	55	Low	62.3	Low	26 Å²	26	66.9 Å²	66.9	18%	0.182	32%	0.317	C	S	.	.	S	Bend	trans	-68.7	-48.7	177.3	48	0	0	0	0	112	Q49 Q155	S40-Q49 PolarHBondContact O-NE2 3.23Å; S40-Q49 VanDerWaalsContact O-NE2 3.16Å; S40-Q155 PolarHBondContact OG-OE1 3.2Å
41	N	64.6	Low	64.2	Low	5 Å²	5	67 Å²	67	3%	0.027	32%	0.317	C	S	.	.	S	Bend	trans	-94.2	122.9	179.7	-54.6	-92.5	0	0	0	110.3	Q49 Y50 H51 Q155 V156 M190 R194	N41-Q49 CarbonylContact C-O 3.59Å; N41-Q49 VanDerWaalsContact CA-O 3.23Å; N41-Q49 WeakPolarHBondContact CA-O 3.39Å; N41-Y50 VanDerWaalsContact OD1-CA 3.27Å; N41-Y50 WeakPolarHBondContact OD1-CA 3.43Å; N41-H51 PolarHBondContact OD1-N 2.92Å; N41-Q155 PolarHBondContact ND2-OE1 3.42Å; N41-V156 WeakPolarHBondContact OD1-CG1 3.31Å; N41-M190 HydrophobicContact CB-CE 3.5Å; N41-R194 PolarHBondContact O-NH2 3.28Å
42	F	75.6	Confident	66.6	Low	67 Å²	67	63.5 Å²	63.5	29%	0.294	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	161.5	175.6	73.5	-102.8	0	0	0	112.5	M44 T47 S48 Q49	F42-M44 HydrophobicContact CD2-CB 4.12Å; F42-M44 HydrophobicContact CD2-CG 3.82Å; F42-M44 HydrophobicContact CD2-SD 4.1Å; F42-M44 HydrophobicContact CE2-CB 4.19Å; F42-M44 HydrophobicContact CE2-CG 4.22Å; F42-M44 HydrophobicContact CE2-SD 4.22Å; F42-T47 HydrophobicContact CE2-CG2 4.21Å; F42-T47 HydrophobicContact CZ-CG2 4.45Å; F42-S48 CarbonylContact O-C 3.45Å; F42-S48 WeakPolarHBondContact O-CA 3.23Å; F42-Q49 HydrophobicContact CD1-CB 3.81Å; F42-Q49 HydrophobicContact CE1-CB 3.62Å; F42-Q49 VanDerWaalsContact CE1-CD 3.46Å; F42-Q49 HydrophobicContact CE1-CG 4.16Å; F42-Q49 HydrophobicContact CE2-CB 4.35Å; F42-Q49 HydrophobicContact CG-CB 4.27Å; F42-Q49 HydrophobicContact CZ-CB 3.9Å; F42-Q49 PolarHBondContact N-O 3.32Å; F42-Q49 PolarHBondContact O-N 2.91Å
43	I	77.4	Confident	68.9	Low	24 Å²	24	61.5 Å²	61.5	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	112.6	171.2	-62.9	174.4	0	0	0	108.1	L183 N186 Q187	I43-L183 HydrophobicContact CD1-CD2 4.16Å; I43-L183 HydrophobicContact CG1-CD2 4.38Å; I43-L183 HydrophobicContact CG2-CB 3.91Å; I43-L183 HydrophobicContact CG2-CD1 4.21Å; I43-L183 HydrophobicContact CG2-CD2 3.79Å; I43-L183 HydrophobicContact CG2-CG 4.18Å; I43-N186 HydrophobicContact CD1-CB 3.63Å; I43-Q187 HydrophobicContact CB-CG 3.75Å; I43-Q187 HydrophobicContact CD1-CG 3.95Å; I43-Q187 HydrophobicContact CG1-CG 4.38Å; I43-Q187 HydrophobicContact CG2-CG 3.9Å; I43-Q187 PolarHBondContact O-NE2 2.77Å
44	M	71.7	Confident	71.1	Confident	131 Å²	131	58.4 Å²	58.4	65%	0.645	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	109.2	-179.4	-74.3	179.4	64.7	0	0	110.3	F42 E46 T47	F42-M44 HydrophobicContact CD2-CB 4.12Å; F42-M44 HydrophobicContact CD2-CG 3.82Å; F42-M44 HydrophobicContact CD2-SD 4.1Å; F42-M44 HydrophobicContact CE2-CB 4.19Å; F42-M44 HydrophobicContact CE2-CG 4.22Å; F42-M44 HydrophobicContact CE2-SD 4.22Å; M44-E46 PolarHBondContact O-N 3.07Å; M44-T47 CarbonylContact C-O 3.55Å; M44-T47 PolarHBondContact N-O 3.36Å; M44-T47 PolarHBondContact O-N 3.12Å; M44-T47 VanDerWaalsContact O-O 3.11Å
45	Q	70.8	Confident	73.6	Confident	162 Å²	162	54.8 Å²	54.8	76%	0.757	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	-94.1	177.2	-170	173.5	-12.3	0	0	113.4
46	E	79.6	Confident	76	Confident	108 Å²	108	50 Å²	50	51%	0.505	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	0.5	-179.2	-71.7	167.7	177.1	0	0	112.7	M44 R179	M44-E46 PolarHBondContact O-N 3.07Å; E46-R179 PolarHBondContact O-NH1 2.62Å
47	T	86.8	Confident	78.5	Confident	45 Å²	45	45.1 Å²	45.1	28%	0.276	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.5	175.7	-57.8	0	0	0	0	110.2	F42 M44 Q93 T95	F42-T47 HydrophobicContact CE2-CG2 4.21Å; F42-T47 HydrophobicContact CZ-CG2 4.45Å; M44-T47 CarbonylContact C-O 3.55Å; M44-T47 PolarHBondContact N-O 3.36Å; M44-T47 PolarHBondContact O-N 3.12Å; M44-T47 VanDerWaalsContact O-O 3.11Å; T47-Q93 HydrophobicContact CG2-CG 3.7Å; T47-T95 HydrophobicContact CG2-CG2 4.25Å
48	S	92.4	Very high	80.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	155.1	168.9	55.3	0	0	0	0	109.7	F42 Q93 V94 D164 R179	F42-S48 CarbonylContact O-C 3.45Å; F42-S48 WeakPolarHBondContact O-CA 3.23Å; S48-Q93 CarbonylContact O-C 3.58Å; S48-Q93 VanDerWaalsContact O-CA 3.28Å; S48-Q93 WeakPolarHBondContact O-CA 3.44Å; S48-Q93 WeakPolarHBondContact O-CG 3.03Å; S48-V94 PolarHBondContact N-O 2.93Å; S48-V94 PolarHBondContact O-N 3.21Å; S48-V94 WeakPolarHBondContact OG-CB 3.46Å; S48-V94 PolarHBondContact OG-O 3.29Å; S48-D164 VanDerWaalsContact CB-OD2 3.31Å; S48-D164 WeakPolarHBondContact CB-OD2 3.42Å; S48-D164 PolarHBondContact OG-OD2 3.44Å; S48-R179 PolarHBondContact OG-NH2 3.04Å
49	Q	92.6	Very high	83	Confident	7 Å²	7	41.2 Å²	41.2	3%	0.033	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	139.4	177.9	-168.8	170.3	-78.4	0	0	110.2	S40 N41 F42 L91 L92 Q93	S40-Q49 PolarHBondContact O-NE2 3.23Å; S40-Q49 VanDerWaalsContact O-NE2 3.16Å; N41-Q49 CarbonylContact C-O 3.59Å; N41-Q49 VanDerWaalsContact CA-O 3.23Å; N41-Q49 WeakPolarHBondContact CA-O 3.39Å; F42-Q49 HydrophobicContact CD1-CB 3.81Å; F42-Q49 HydrophobicContact CE1-CB 3.62Å; F42-Q49 VanDerWaalsContact CE1-CD 3.46Å; F42-Q49 HydrophobicContact CE1-CG 4.16Å; F42-Q49 HydrophobicContact CE2-CB 4.35Å; F42-Q49 HydrophobicContact CG-CB 4.27Å; F42-Q49 HydrophobicContact CZ-CB 3.9Å; F42-Q49 PolarHBondContact N-O 3.32Å; F42-Q49 PolarHBondContact O-N 2.91Å; Q49-L91 HydrophobicContact CG-CB 4.07Å; Q49-L91 HydrophobicContact CG-CD2 4.36Å; Q49-L92 CarbonylContact C-O 3.5Å; Q49-L92 WeakPolarHBondContact CA-O 3.39Å; Q49-Q93 HydrophobicContact CB-CG 4.25Å; Q49-Q93 HydrophobicContact CG-CB 4.29Å; Q49-Q93 HydrophobicContact CG-CG 4.41Å
50	Y	92.9	Very high	85	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.5	-176.1	-55.7	-76.7	0	0	0	110.3	N41 L91 L92 V94 V156 M160 V161 D164 N186	N41-Y50 VanDerWaalsContact OD1-CA 3.27Å; N41-Y50 WeakPolarHBondContact OD1-CA 3.43Å; Y50-L91 CarbonylContact O-C 3.59Å; Y50-L91 WeakPolarHBondContact O-CA 3.46Å; Y50-L92 HydrophobicContact CD2-CD2 4.47Å; Y50-L92 PolarHBondContact N-O 3.48Å; Y50-L92 PolarHBondContact O-N 3.47Å; Y50-V94 HydrophobicContact CE2-CG2 4.43Å; Y50-V156 HydrophobicContact CD1-CG1 4.22Å; Y50-V156 HydrophobicContact CD1-CG2 4.03Å; Y50-M160 HydrophobicContact CE1-SD 4.31Å; Y50-V161 HydrophobicContact CD1-CG2 3.94Å; Y50-V161 HydrophobicContact CD2-CB 4.4Å; Y50-V161 HydrophobicContact CD2-CG1 3.8Å; Y50-V161 HydrophobicContact CD2-CG2 4.03Å; Y50-V161 HydrophobicContact CE1-CG2 4.34Å; Y50-V161 HydrophobicContact CE2-CG1 4.16Å; Y50-V161 HydrophobicContact CE2-CG2 4.43Å; Y50-V161 HydrophobicContact CG-CG1 4.31Å; Y50-V161 HydrophobicContact CG-CG2 3.75Å; Y50-D164 WeakPolarHBondContact CE2-OD2 3.31Å; Y50-D164 PolarHBondContact OH-OD2 2.67Å; Y50-N186 PolarHBondContact OH-ND2 3.29Å
51	H	90.6	Very high	86.6	Confident	14 Å²	14	36.7 Å²	36.7	7%	0.065	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.2	168	-172.6	-93.2	0	0	0	109.7	N41 E89 D154 Q155	N41-H51 PolarHBondContact OD1-N 2.92Å; H51-E89 IonicContact CE1-OE1 3.18Å; H51-E89 IonicContact NE2-OE1 2.86Å; H51-D154 IonicContact CE1-OD1 3.03Å; H51-D154 IonicContact CG-OD1 2.77Å; H51-D154 IonicContact ND1-OD1 3.4Å; H51-D154 PolarHBondContact ND1-OD1 3.49Å; H51-D154 IonicContact ND1-OD2 3.55Å; H51-Q155 VanDerWaalsContact CB-OE1 3.24Å; H51-Q155 PolarHBondContact CE1-NE2 2.93Å; H51-Q155 VanDerWaalsContact CG-NE2 3.29Å; H51-Q155 PolarHBondContact ND1-NE2 2.88Å
52	V	93.9	Very high	87.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.6	177.4	-57.2	0	0	0	0	111.7	M90 L92 F151 H152	V52-M90 HydrophobicContact CG2-CG 3.74Å; V52-M90 PolarHBondContact N-O 3.21Å; V52-M90 PolarHBondContact O-N 3.21Å; V52-M90 VanDerWaalsContact O-O 3.06Å; V52-L92 HydrophobicContact CG1-CB 4.09Å; V52-L92 HydrophobicContact CG1-CD1 4.44Å; V52-L92 HydrophobicContact CG2-CB 3.82Å; V52-L92 HydrophobicContact CG2-CD1 4.47Å; V52-F151 HydrophobicContact CB-CB 4.07Å; V52-F151 HydrophobicContact CG2-CB 4.15Å; V52-F151 HydrophobicContact CG2-CD1 3.88Å; V52-F151 HydrophobicContact CG2-CG 4.31Å; V52-H152 CarbonylContact C-O 3.58Å; V52-H152 WeakPolarHBondContact CA-O 3.29Å
53	E	93.1	Very high	88.2	Confident	33 Å²	33	47.6 Å²	47.6	15%	0.154	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	110.5	168.8	-70.3	-176.1	112.6	0	0	110	L55 T87 Q88 E89 F151 H152	E53-L55 PolarHBondContact O-N 2.98Å; E53-T87 HydrophobicContact CB-CG2 3.98Å; E53-T87 HydrophobicContact CG-CG2 4.32Å; E53-T87 WeakPolarHBondContact OE1-CB 3.26Å; E53-T87 WeakPolarHBondContact OE1-CG2 3.27Å; E53-T87 PolarHBondContact OE1-OG1 2.99Å; E53-T87 VanDerWaalsContact OE1-OG1 3.11Å; E53-Q88 CarbonylContact C-O 3.53Å; E53-Q88 WeakPolarHBondContact CA-O 3.38Å; E53-E89 HydrophobicContact CG-CG 4.18Å; E53-F151 CarbonylContact O-C 3.56Å; E53-F151 VanDerWaalsContact O-CA 3.32Å; E53-F151 WeakPolarHBondContact O-CA 3.36Å; E53-H152 HydrophobicContact CB-CB 4.22Å; E53-H152 PolarHBondContact N-O 3.47Å; E53-H152 PolarHBondContact O-N 3.24Å; E53-H152 IonicContact OE2-CE1 2.73Å; E53-H152 IonicContact OE2-CG 2.88Å; E53-H152 IonicContact OE2-ND1 3.22Å; E53-H152 PolarHBondContact OE2-ND1 3.44Å
54	H	94.5	Very high	88.3	Confident	5 Å²	5	50.6 Å²	50.6	2%	0.023	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	121.2	170.6	167.1	-85.7	0	0	0	110.5	S56 T57 T87 Q88 M90 F151 M285 R289	H54-S56 PolarHBondContact NE2-O 3.35Å; H54-T57 PolarHBondContact NE2-N 2.92Å; H54-T57 PolarHBondContact NE2-OG1 3.49Å; H54-T87 CarbonylContact O-C 3.12Å; H54-T87 WeakPolarHBondContact O-CA 3.39Å; H54-Q88 HydrophobicContact CB-CB 4.46Å; H54-Q88 PolarHBondContact N-O 3.41Å; H54-Q88 PolarHBondContact O-N 3.25Å; H54-M90 HydrophobicContact CB-CE 3.46Å; H54-M90 VanDerWaalsContact CB-CE 3.46Å; H54-M90 HydrophobicContact CB-SD 3.75Å; H54-F151 HydrophobicContact CB-CD1 3.83Å; H54-F151 HydrophobicContact CB-CE1 3.97Å; H54-F151 AromaticContact CD2-CE1 3.88Å; H54-M285 HydrophobicContact CB-SD 4.08Å; H54-M285 PolarHBondContact CD2-SD 3.39Å; H54-R289 PolarHBondContact ND1-NH2 3.2Å; H54-R289 VanDerWaalsContact ND1-NH2 3.14Å; H54-R289 PolarHBondContact O-NH2 2.86Å; H54-R289 VanDerWaalsContact O-NH2 3.13Å
55	L	94.2	Very high	89.2	Confident	3 Å²	3	49 Å²	49	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-54.8	-179.3	-54.2	-173.2	0	0	0	111.4	E53 L76 I85 T87 Y130 V133 F150 H152	E53-L55 PolarHBondContact O-N 2.98Å; L55-L76 HydrophobicContact CB-CD1 4.1Å; L55-L76 HydrophobicContact CD1-CD1 4.39Å; L55-L76 HydrophobicContact CD1-CD2 4.31Å; L55-I85 HydrophobicContact CB-CG2 3.88Å; L55-I85 HydrophobicContact CD2-CG2 4Å; L55-I85 HydrophobicContact CG-CG2 4.45Å; L55-T87 HydrophobicContact CD2-CG2 3.73Å; L55-Y130 HydrophobicContact CD1-CD2 3.9Å; L55-Y130 HydrophobicContact CD1-CE2 4.38Å; L55-Y130 HydrophobicContact CD1-CG 4.08Å; L55-Y130 HydrophobicContact CD2-CD1 4.05Å; L55-Y130 HydrophobicContact CD2-CD2 4.22Å; L55-Y130 HydrophobicContact CD2-CE1 3.86Å; L55-Y130 HydrophobicContact CD2-CE2 4.07Å; L55-Y130 HydrophobicContact CD2-CG 4.22Å; L55-V133 HydrophobicContact CD1-CG1 4.01Å; L55-V133 HydrophobicContact CD1-CG2 3.93Å; L55-F150 HydrophobicContact CB-CB 4.14Å; L55-F150 PolarHBondContact N-O 3.39Å; L55-H152 HydrophobicContact CD1-CB 4.21Å; L55-H152 HydrophobicContact CD2-CB 3.76Å; L55-H152 HydrophobicContact CG-CB 4.16Å
56	S	92.9	Very high	90.3	Very high	18 Å²	18	41.3 Å²	41.3	13%	0.126	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	154.7	-175.7	-155.6	0	0	0	0	112.4	H54 F58 F150	H54-S56 PolarHBondContact NE2-O 3.35Å; S56-F58 VanDerWaalsContact OG-CE1 3.28Å; S56-F58 WeakPolarHBondContact OG-CE1 3.33Å; S56-F150 PolarHBondContact O-N 3.43Å
57	T	92.6	Very high	91	Very high	31 Å²	31	40.2 Å²	40.2	19%	0.19	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135	169.3	-67.4	0	0	0	0	108.5	H54 D147 I148 H149 A282 M285	H54-T57 PolarHBondContact NE2-N 2.92Å; H54-T57 PolarHBondContact NE2-OG1 3.49Å; T57-D147 HydrophobicContact CG2-CB 4.38Å; T57-I148 CarbonylContact C-O 3.59Å; T57-I148 VanDerWaalsContact CA-O 3.3Å; T57-I148 WeakPolarHBondContact CA-O 3.14Å; T57-H149 VanDerWaalsContact CG2-ND1 3.32Å; T57-H149 WeakPolarHBondContact CG2-ND1 3.43Å; T57-H149 PolarHBondContact OG1-ND1 2.92Å; T57-A282 HydrophobicContact CG2-CB 3.9Å; T57-M285 WeakPolarHBondContact OG1-CE 3.44Å
58	F	92.4	Very high	91.4	Very high	14 Å²	14	40.8 Å²	40.8	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141	174	-51.9	-53.4	0	0	0	111.8	S56 I66 A72 K75 L79 D147 I148 F150	S56-F58 VanDerWaalsContact OG-CE1 3.28Å; S56-F58 WeakPolarHBondContact OG-CE1 3.33Å; F58-I66 HydrophobicContact CB-CD1 3.4Å; F58-I66 HydrophobicContact CD1-CD1 4.36Å; F58-I66 HydrophobicContact CD2-CD1 4.08Å; F58-I66 HydrophobicContact CG-CD1 3.72Å; F58-A72 HydrophobicContact CD2-CB 4.1Å; F58-A72 WeakPolarHBondContact CE2-O 3.43Å; F58-K75 HydrophobicContact CD1-CD 3.99Å; F58-K75 HydrophobicContact CD2-CD 4.3Å; F58-K75 HydrophobicContact CE1-CD 3.78Å; F58-K75 HydrophobicContact CE1-CG 4.07Å; F58-K75 HydrophobicContact CE2-CB 3.96Å; F58-K75 HydrophobicContact CE2-CD 4.11Å; F58-K75 HydrophobicContact CE2-CG 4.07Å; F58-K75 HydrophobicContact CG-CD 4.25Å; F58-K75 HydrophobicContact CZ-CB 4.07Å; F58-K75 HydrophobicContact CZ-CD 3.85Å; F58-K75 HydrophobicContact CZ-CG 3.7Å; F58-L79 HydrophobicContact CE1-CD1 3.91Å; F58-L79 HydrophobicContact CZ-CD1 3.78Å; F58-D147 CarbonylContact O-C 3.56Å; F58-D147 WeakPolarHBondContact O-CA 3.49Å; F58-I148 PolarHBondContact N-O 3.18Å; F58-I148 PolarHBondContact O-N 2.87Å; F58-F150 HydrophobicContact CD2-CD2 4.42Å; F58-F150 AromaticContact CD2-CE2 3.88Å; F58-F150 HydrophobicContact CD2-CE2 3.88Å; F58-F150 HydrophobicContact CE2-CD2 4.28Å; F58-F150 AromaticContact CE2-CE2 3.85Å; F58-F150 HydrophobicContact CE2-CE2 3.85Å
59	V	91.1	Very high	91.5	Very high	40 Å²	40	42 Å²	42	24%	0.242	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	136.4	165.6	-171.5	0	0	0	0	108.4	D61 K145 P281	V59-D61 VanDerWaalsContact C-N 3.27Å; V59-D61 PolarHBondContact O-N 2.86Å; V59-K145 HydrophobicContact CG1-CB 3.82Å; V59-K145 HydrophobicContact CG1-CD 4.25Å; V59-P281 HydrophobicContact CG2-CG 4.5Å
60	M	91.3	Very high	91.7	Very high	32 Å²	32	46.2 Å²	46.2	16%	0.158	25%	0.254	C	S	.	.			trans	-73.8	81.9	170	-64.6	-166.6	73.8	0	0	110.6	I66 V67 M137 P146 I148	M60-I66 CarbonylContact C-O 3.59Å; M60-I66 VanDerWaalsContact C-O 3.29Å; M60-I66 WeakPolarHBondContact CA-O 3.38Å; M60-I66 HydrophobicContact CG-CG2 4.31Å; M60-V67 WeakPolarHBondContact CE-O 3.28Å; M60-M137 HydrophobicContact SD-CE 3.7Å; M60-M137 HydrophobicContact SD-SD 4.08Å; M60-P146 HydrophobicContact CB-CG 3.93Å; M60-P146 HydrophobicContact CG-CG 3.97Å; M60-P146 PolarHBondContact N-O 2.84Å; M60-P146 HydrophobicContact SD-CB 4.46Å; M60-P146 HydrophobicContact SD-CG 3.64Å; M60-I148 HydrophobicContact CE-CD1 4.22Å; M60-I148 HydrophobicContact CG-CD1 3.66Å; M60-I148 HydrophobicContact CG-CG1 3.94Å; M60-I148 HydrophobicContact SD-CD1 3.67Å; M60-I148 HydrophobicContact SD-CG1 4.09Å
61	D	88.6	Confident	91.9	Very high	29 Å²	29	47.8 Å²	47.8	16%	0.155	26%	0.263	C	S	.	.			trans	-115	136.3	178.5	-150.2	-21.7	0	0	0	113.6	V59 T63 E64 S65 I66 K145	V59-D61 VanDerWaalsContact C-N 3.27Å; V59-D61 PolarHBondContact O-N 2.86Å; D61-T63 PolarHBondContact O-N 3.32Å; D61-T63 PolarHBondContact OD1-N 3.4Å; D61-T63 PolarHBondContact OD1-OG1 3.13Å; D61-T63 PolarHBondContact OD2-OG1 3.4Å; D61-E64 HydrophobicContact CB-CB 4.31Å; D61-E64 CarbonylContact O-C 3.58Å; D61-E64 PolarHBondContact O-N 2.63Å; D61-E64 VanDerWaalsContact O-N 3.15Å; D61-S65 PolarHBondContact O-N 2.99Å; D61-I66 CarbonylContact C-O 3.56Å; D61-I66 PolarHBondContact N-O 2.78Å; D61-I66 VanDerWaalsContact N-O 3.14Å; D61-I66 PolarHBondContact O-N 2.98Å; D61-K145 HydrophobicContact CB-CD 4.2Å; D61-K145 IonicContact OD1-NZ 3.76Å; D61-K145 PolarHBondContact OD1-NZ 2.95Å; D61-K145 IonicContact OD2-NZ 2.75Å; D61-K145 PolarHBondContact OD2-NZ 2.94Å
62	K	86.9	Confident	92.1	Very high	183 Å²	183	47.1 Å²	47.1	80%	0.796	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-31.9	170.1	-66.2	-174.2	176.9	-175.1	0	111.6	S65 V67	K62-S65 PolarHBondContact O-N 3Å; K62-V67 HydrophobicContact CB-CG1 4.4Å; K62-V67 HydrophobicContact CG-CG1 3.69Å
63	T	85.8	Confident	92.3	Very high	119 Å²	119	47.6 Å²	47.6	73%	0.73	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.7	176.7	57.1	0	0	0	0	112.9	D61 S65	D61-T63 PolarHBondContact O-N 3.32Å; D61-T63 PolarHBondContact OD1-N 3.4Å; D61-T63 PolarHBondContact OD1-OG1 3.13Å; D61-T63 PolarHBondContact OD2-OG1 3.4Å; T63-S65 VanDerWaalsContact C-N 3.34Å
64	E	80.4	Confident	92.4	Very high	87 Å²	87	51.6 Å²	51.6	41%	0.407	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	6.1	174.6	-73.9	-155.3	-140.7	0	0	113.2	D61 I66 K75	D61-E64 HydrophobicContact CB-CB 4.31Å; D61-E64 CarbonylContact O-C 3.58Å; D61-E64 PolarHBondContact O-N 2.63Å; D61-E64 VanDerWaalsContact O-N 3.15Å; E64-I66 HydrophobicContact CB-CG1 4.46Å; E64-I66 PolarHBondContact O-N 3.18Å; E64-K75 IonicContact OE2-NZ 2.86Å; E64-K75 PolarHBondContact OE2-NZ 3.47Å
65	S	90.1	Very high	92.5	Very high	96 Å²	96	53.8 Å²	53.8	67%	0.671	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	27.8	-173.4	59.9	0	0	0	0	115.3	D61 K62 T63	D61-S65 PolarHBondContact O-N 2.99Å; K62-S65 PolarHBondContact O-N 3Å; T63-S65 VanDerWaalsContact C-N 3.34Å
66	I	93.7	Very high	92.6	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	29%	0.288	C	S	.	.			trans	-109.4	101.7	174.1	-52.2	176.6	0	0	0	108.8	F58 M60 D61 E64 D71 A72 K75	F58-I66 HydrophobicContact CB-CD1 3.4Å; F58-I66 HydrophobicContact CD1-CD1 4.36Å; F58-I66 HydrophobicContact CD2-CD1 4.08Å; F58-I66 HydrophobicContact CG-CD1 3.72Å; M60-I66 CarbonylContact C-O 3.59Å; M60-I66 VanDerWaalsContact C-O 3.29Å; M60-I66 WeakPolarHBondContact CA-O 3.38Å; M60-I66 HydrophobicContact CG-CG2 4.31Å; D61-I66 CarbonylContact C-O 3.56Å; D61-I66 PolarHBondContact N-O 2.78Å; D61-I66 VanDerWaalsContact N-O 3.14Å; D61-I66 PolarHBondContact O-N 2.98Å; E64-I66 HydrophobicContact CB-CG1 4.46Å; E64-I66 PolarHBondContact O-N 3.18Å; I66-D71 HydrophobicContact CG2-CB 4.46Å; I66-A72 HydrophobicContact CG2-CB 3.97Å; I66-K75 HydrophobicContact CD1-CD 3.55Å; I66-K75 HydrophobicContact CG1-CD 3.99Å
67	V	93.6	Very high	92.7	Very high	84 Å²	84	55.6 Å²	55.6	51%	0.509	30%	0.296	S	S	.	.			trans	-120	-14.4	178.4	-64.3	0	0	0	0	113.2	M60 K62 D71	M60-V67 WeakPolarHBondContact CE-O 3.28Å; K62-V67 HydrophobicContact CB-CG1 4.4Å; K62-V67 HydrophobicContact CG-CG1 3.69Å; V67-D71 WeakPolarHBondContact CG2-OD2 3.43Å; V67-D71 PolarHBondContact N-OD2 3.23Å
68	T	95.3	Very high	92.8	Very high	57 Å²	57	58.1 Å²	58.1	35%	0.35	31%	0.308	S	S	.	.	S	Bend	trans	-129.4	166.7	173.1	66.8	0	0	0	0	111.9	D70 D71 A72	T68-D70 VanDerWaalsContact C-N 3.27Å; T68-D70 PolarHBondContact O-N 3.24Å; T68-D70 PolarHBondContact OG1-N 3.49Å; T68-D71 WeakPolarHBondContact CB-OD2 3.24Å; T68-D71 PolarHBondContact N-OD2 3.03Å; T68-D71 PolarHBondContact O-N 2.91Å; T68-D71 PolarHBondContact OG1-N 3.29Å; T68-D71 PolarHBondContact OG1-OD1 3.03Å; T68-D71 PolarHBondContact OG1-OD2 3.23Å; T68-A72 PolarHBondContact O-N 3.15Å
69	V	95.4	Very high	92.8	Very high	25 Å²	25	59.5 Å²	59.5	15%	0.152	32%	0.316	C	S	.	.	H	α-helix	trans	-57	-42.1	168.9	171.9	0	0	0	0	111.1	D71 A72 I73 L120 L135 M137	V69-D71 VanDerWaalsContact C-N 3.28Å; V69-D71 PolarHBondContact O-N 3.24Å; V69-A72 WeakPolarHBondContact O-CB 3.47Å; V69-A72 PolarHBondContact O-N 3.07Å; V69-I73 HydrophobicContact CG1-CD1 3.84Å; V69-I73 HydrophobicContact CG1-CG1 4.46Å; V69-I73 WeakPolarHBondContact O-CG1 3.42Å; V69-I73 PolarHBondContact O-N 3.29Å; V69-L120 HydrophobicContact CG2-CD2 3.78Å; V69-L135 HydrophobicContact CG1-CD1 3.64Å; V69-M137 HydrophobicContact CG2-CE 3.41Å; V69-M137 VanDerWaalsContact CG2-CE 3.41Å
70	D	96.4	Very high	92.9	Very high	97 Å²	97	58.6 Å²	58.6	52%	0.519	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-32.9	179.5	-62	-49.8	0	0	0	112.4	T68 I73 K74	T68-D70 VanDerWaalsContact C-N 3.27Å; T68-D70 PolarHBondContact O-N 3.24Å; T68-D70 PolarHBondContact OG1-N 3.49Å; D70-I73 PolarHBondContact O-N 2.95Å; D70-K74 WeakPolarHBondContact O-CB 3.19Å; D70-K74 WeakPolarHBondContact O-CD 3.45Å; D70-K74 WeakPolarHBondContact O-CE 3.48Å; D70-K74 WeakPolarHBondContact O-CG 3.33Å; D70-K74 PolarHBondContact O-N 2.91Å
71	D	96.4	Very high	93	Very high	35 Å²	35	61 Å²	61	19%	0.187	33%	0.33	C	S	.	.	H	α-helix	trans	-70	-37.2	176.7	-53.9	-39.6	0	0	0	111.8	I66 V67 T68 V69 K74 K75	I66-D71 HydrophobicContact CG2-CB 4.46Å; V67-D71 WeakPolarHBondContact CG2-OD2 3.43Å; V67-D71 PolarHBondContact N-OD2 3.23Å; T68-D71 WeakPolarHBondContact CB-OD2 3.24Å; T68-D71 PolarHBondContact N-OD2 3.03Å; T68-D71 PolarHBondContact O-N 2.91Å; T68-D71 PolarHBondContact OG1-N 3.29Å; T68-D71 PolarHBondContact OG1-OD1 3.03Å; T68-D71 PolarHBondContact OG1-OD2 3.23Å; V69-D71 VanDerWaalsContact C-N 3.28Å; V69-D71 PolarHBondContact O-N 3.24Å; D71-K74 PolarHBondContact O-N 3.29Å; D71-K74 IonicContact OD1-NZ 2.6Å; D71-K74 PolarHBondContact OD1-NZ 3.25Å; D71-K75 WeakPolarHBondContact O-CB 3.46Å; D71-K75 PolarHBondContact O-N 3.11Å
72	A	96	Very high	93.2	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.7	-41	172.1	0	0	0	0	0	111.5	F58 I66 T68 V69 K75 L76 I148 F150	F58-A72 HydrophobicContact CD2-CB 4.1Å; F58-A72 WeakPolarHBondContact CE2-O 3.43Å; I66-A72 HydrophobicContact CG2-CB 3.97Å; T68-A72 PolarHBondContact O-N 3.15Å; V69-A72 WeakPolarHBondContact O-CB 3.47Å; V69-A72 PolarHBondContact O-N 3.07Å; A72-K75 PolarHBondContact O-N 2.93Å; A72-L76 PolarHBondContact O-N 3.26Å; A72-I148 HydrophobicContact CB-CB 4.45Å; A72-I148 HydrophobicContact CB-CD1 3.58Å; A72-I148 HydrophobicContact CB-CG2 4.21Å; A72-F150 HydrophobicContact CB-CE2 4.05Å; A72-F150 HydrophobicContact CB-CZ 4Å
73	I	96.6	Very high	93.1	Very high	10 Å²	10	64.7 Å²	64.7	5%	0.051	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-47.6	175.3	-67.6	169.7	0	0	0	110.8	V69 D70 K75 L76 I77 V124 L135 F150	V69-I73 HydrophobicContact CG1-CD1 3.84Å; V69-I73 HydrophobicContact CG1-CG1 4.46Å; V69-I73 WeakPolarHBondContact O-CG1 3.42Å; V69-I73 PolarHBondContact O-N 3.29Å; D70-I73 PolarHBondContact O-N 2.95Å; I73-K75 VanDerWaalsContact C-N 3.28Å; I73-K75 PolarHBondContact O-N 3.43Å; I73-L76 WeakPolarHBondContact O-CB 3.37Å; I73-L76 PolarHBondContact O-N 3.06Å; I73-L76 VanDerWaalsContact O-N 3.14Å; I73-I77 HydrophobicContact CG2-CD1 3.93Å; I73-I77 WeakPolarHBondContact O-CG1 3.46Å; I73-I77 PolarHBondContact O-N 2.91Å; I73-V124 HydrophobicContact CD1-CG2 3.71Å; I73-V124 HydrophobicContact CG1-CG2 4.03Å; I73-V124 HydrophobicContact CG2-CG1 4.22Å; I73-L135 HydrophobicContact CD1-CD1 4.14Å; I73-L135 HydrophobicContact CG1-CD1 4.05Å; I73-F150 HydrophobicContact CG1-CE1 3.99Å; I73-F150 HydrophobicContact CG1-CZ 4.03Å
74	K	96.1	Very high	93.2	Very high	116 Å²	116	66.1 Å²	66.1	50%	0.504	34%	0.342	S	S	.	.	H	α-helix	trans	-56.7	-41.7	173.7	-69.2	160.7	-141.1	156.4	0	111.6	D70 D71 I77 L78	D70-K74 WeakPolarHBondContact O-CB 3.19Å; D70-K74 WeakPolarHBondContact O-CD 3.45Å; D70-K74 WeakPolarHBondContact O-CE 3.48Å; D70-K74 WeakPolarHBondContact O-CG 3.33Å; D70-K74 PolarHBondContact O-N 2.91Å; D71-K74 PolarHBondContact O-N 3.29Å; D71-K74 IonicContact OD1-NZ 2.6Å; D71-K74 PolarHBondContact OD1-NZ 3.25Å; K74-I77 PolarHBondContact O-N 2.8Å; K74-L78 WeakPolarHBondContact O-CB 2.82Å; K74-L78 PolarHBondContact O-N 3.34Å
75	K	95.7	Very high	93.6	Very high	52 Å²	52	62.7 Å²	62.7	23%	0.226	33%	0.327	C	S	.	.	H	α-helix	trans	-66.4	-38.2	177.2	-167.7	176.4	-178.1	168.7	0	112	F58 E64 I66 D71 A72 I73 L78 L79	F58-K75 HydrophobicContact CD1-CD 3.99Å; F58-K75 HydrophobicContact CD2-CD 4.3Å; F58-K75 HydrophobicContact CE1-CD 3.78Å; F58-K75 HydrophobicContact CE1-CG 4.07Å; F58-K75 HydrophobicContact CE2-CB 3.96Å; F58-K75 HydrophobicContact CE2-CD 4.11Å; F58-K75 HydrophobicContact CE2-CG 4.07Å; F58-K75 HydrophobicContact CG-CD 4.25Å; F58-K75 HydrophobicContact CZ-CB 4.07Å; F58-K75 HydrophobicContact CZ-CD 3.85Å; F58-K75 HydrophobicContact CZ-CG 3.7Å; E64-K75 IonicContact OE2-NZ 2.86Å; E64-K75 PolarHBondContact OE2-NZ 3.47Å; I66-K75 HydrophobicContact CD1-CD 3.55Å; I66-K75 HydrophobicContact CG1-CD 3.99Å; D71-K75 WeakPolarHBondContact O-CB 3.46Å; D71-K75 PolarHBondContact O-N 3.11Å; A72-K75 PolarHBondContact O-N 2.93Å; I73-K75 VanDerWaalsContact C-N 3.28Å; I73-K75 PolarHBondContact O-N 3.43Å; K75-L78 PolarHBondContact O-N 3.01Å; K75-L79 WeakPolarHBondContact O-CG 3.47Å; K75-L79 PolarHBondContact O-N 3.44Å
76	L	96	Very high	93.2	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-60.2	-51.1	172.4	-172.3	76.5	0	0	0	111	L55 A72 I73 L78 L79 D80 I85 T128 F150	L55-L76 HydrophobicContact CB-CD1 4.1Å; L55-L76 HydrophobicContact CD1-CD1 4.39Å; L55-L76 HydrophobicContact CD1-CD2 4.31Å; A72-L76 PolarHBondContact O-N 3.26Å; I73-L76 WeakPolarHBondContact O-CB 3.37Å; I73-L76 PolarHBondContact O-N 3.06Å; I73-L76 VanDerWaalsContact O-N 3.14Å; L76-L78 VanDerWaalsContact C-N 3.26Å; L76-L78 PolarHBondContact O-N 3.03Å; L76-L79 PolarHBondContact O-N 3.19Å; L76-D80 PolarHBondContact O-N 3.17Å; L76-I85 HydrophobicContact CD1-CD1 3.6Å; L76-I85 HydrophobicContact CD1-CG1 4.32Å; L76-I85 HydrophobicContact CG-CD1 3.9Å; L76-T128 HydrophobicContact CD2-CG2 4.18Å; L76-T128 HydrophobicContact CG-CG2 4.44Å; L76-F150 HydrophobicContact CB-CE2 4.47Å; L76-F150 HydrophobicContact CB-CZ 4.43Å; L76-F150 HydrophobicContact CD1-CB 4.2Å; L76-F150 HydrophobicContact CD1-CD2 4.18Å; L76-F150 HydrophobicContact CD1-CG 4.12Å; L76-F150 HydrophobicContact CD2-CB 4.36Å; L76-F150 HydrophobicContact CD2-CD1 3.67Å; L76-F150 HydrophobicContact CD2-CE1 3.95Å; L76-F150 HydrophobicContact CD2-CG 3.95Å
77	I	95.8	Very high	92.9	Very high	58 Å²	58	63 Å²	63	30%	0.297	32%	0.317	S	S	.	.	H	α-helix	trans	-60.2	-36.1	178.8	-61.2	164.1	0	0	0	111.4	I73 K74 D80 S81 Q127 T128	I73-I77 HydrophobicContact CG2-CD1 3.93Å; I73-I77 WeakPolarHBondContact O-CG1 3.46Å; I73-I77 PolarHBondContact O-N 2.91Å; K74-I77 PolarHBondContact O-N 2.8Å; I77-D80 PolarHBondContact O-N 3.41Å; I77-S81 WeakPolarHBondContact O-CB 3.42Å; I77-S81 PolarHBondContact O-N 2.81Å; I77-S81 PolarHBondContact O-OG 3.05Å; I77-Q127 HydrophobicContact CD1-CB 4.1Å; I77-Q127 HydrophobicContact CG1-CB 4.5Å; I77-T128 HydrophobicContact CG1-CG2 3.87Å
78	L	94.9	Very high	92.5	Very high	83 Å²	83	60.5 Å²	60.5	44%	0.435	30%	0.3	S	S	.	.	H	α-helix	trans	-71.5	-26.6	175.7	-174.6	61.1	0	0	0	113.7	K74 K75 L76 R82	K74-L78 WeakPolarHBondContact O-CB 2.82Å; K74-L78 PolarHBondContact O-N 3.34Å; K75-L78 PolarHBondContact O-N 3.01Å; L76-L78 VanDerWaalsContact C-N 3.26Å; L76-L78 PolarHBondContact O-N 3.03Å; L78-R82 VanDerWaalsContact O-CD 3.27Å; L78-R82 WeakPolarHBondContact O-CD 2.87Å; L78-R82 VanDerWaalsContact O-CG 3.31Å; L78-R82 WeakPolarHBondContact O-CG 3.49Å
79	L	93.4	Very high	92.1	Very high	44 Å²	44	62.4 Å²	62.4	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-78.5	-37.7	169.7	-67	179.3	0	0	0	111.4	F58 K75 L76 R82 D83 K84 I85	F58-L79 HydrophobicContact CE1-CD1 3.91Å; F58-L79 HydrophobicContact CZ-CD1 3.78Å; K75-L79 WeakPolarHBondContact O-CG 3.47Å; K75-L79 PolarHBondContact O-N 3.44Å; L76-L79 PolarHBondContact O-N 3.19Å; L79-R82 CarbonylContact O-C 3.54Å; L79-R82 PolarHBondContact O-N 3.36Å; L79-D83 PolarHBondContact O-N 3.27Å; L79-K84 HydrophobicContact CB-CB 4.23Å; L79-K84 HydrophobicContact CD2-CB 3.82Å; L79-K84 PolarHBondContact O-N 2.97Å; L79-I85 HydrophobicContact CB-CG1 3.79Å
80	D	92.8	Very high	91.8	Very high	20 Å²	20	61.2 Å²	61.2	11%	0.107	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-50.9	178.9	-162.4	48.1	0	0	0	111.5	L76 I77 R82 D83 I85 T128 R129 Y130	L76-D80 PolarHBondContact O-N 3.17Å; I77-D80 PolarHBondContact O-N 3.41Å; D80-R82 PolarHBondContact O-N 2.64Å; D80-D83 PolarHBondContact O-N 3.42Å; D80-I85 HydrophobicContact CB-CD1 3.66Å; D80-I85 HydrophobicContact CB-CG1 4.42Å; D80-T128 HydrophobicContact CB-CG2 4.26Å; D80-T128 WeakPolarHBondContact OD2-CA 3.22Å; D80-T128 VanDerWaalsContact OD2-CB 3.26Å; D80-T128 WeakPolarHBondContact OD2-CB 3.45Å; D80-R129 WeakPolarHBondContact OD1-CD 3.05Å; D80-R129 WeakPolarHBondContact OD1-CG 3.35Å; D80-R129 PolarHBondContact OD2-N 3.18Å; D80-Y130 WeakPolarHBondContact OD1-CE2 3.35Å
81	S	93.7	Very high	91.6	Very high	84 Å²	84	56.9 Å²	56.9	59%	0.587	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	10.6	176.1	56.5	0	0	0	0	115.3	I77	I77-S81 WeakPolarHBondContact O-CB 3.42Å; I77-S81 PolarHBondContact O-N 2.81Å; I77-S81 PolarHBondContact O-OG 3.05Å
82	R	92.7	Very high	91.6	Very high	157 Å²	157	55.2 Å²	55.2	59%	0.592	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.2	9.3	176.4	-64.7	-179.6	172.8	178.4	-5.7	112.5	L78 L79 D80 K84	L78-R82 VanDerWaalsContact O-CD 3.27Å; L78-R82 WeakPolarHBondContact O-CD 2.87Å; L78-R82 VanDerWaalsContact O-CG 3.31Å; L78-R82 WeakPolarHBondContact O-CG 3.49Å; L79-R82 CarbonylContact O-C 3.54Å; L79-R82 PolarHBondContact O-N 3.36Å; D80-R82 PolarHBondContact O-N 2.64Å; R82-K84 HydrophobicContact CB-CG 3.93Å; R82-K84 VanDerWaalsContact O-CG 3.24Å; R82-K84 WeakPolarHBondContact O-CG 3.3Å; R82-K84 PolarHBondContact O-N 3.45Å; R82-K84 VanDerWaalsContact O-N 3.17Å
83	D	84.9	Confident	91.6	Very high	132 Å²	132	56.1 Å²	56.1	71%	0.706	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	32.8	-174.6	-63.5	-70	0	0	0	113.9	L79 D80	L79-D83 PolarHBondContact O-N 3.27Å; D80-D83 PolarHBondContact O-N 3.42Å
84	K	87.8	Confident	91.6	Very high	148 Å²	148	55.6 Å²	55.6	64%	0.643	27%	0.267	S	S	*	.			trans	-100.8	4.9	179.7	-56.9	-152.7	176.8	-159.1	0	114	L79 R82	L79-K84 HydrophobicContact CB-CB 4.23Å; L79-K84 HydrophobicContact CD2-CB 3.82Å; L79-K84 PolarHBondContact O-N 2.97Å; R82-K84 HydrophobicContact CB-CG 3.93Å; R82-K84 VanDerWaalsContact O-CG 3.24Å; R82-K84 WeakPolarHBondContact O-CG 3.3Å; R82-K84 PolarHBondContact O-N 3.45Å; R82-K84 VanDerWaalsContact O-N 3.17Å
85	I	87.8	Confident	91.5	Very high	15 Å²	15	50.9 Å²	50.9	8%	0.077	25%	0.248	C	C	.	.			trans	-81.8	131.2	163	-65.5	-178.3	0	0	0	108.1	L55 L76 L79 D80 Y130	L55-I85 HydrophobicContact CB-CG2 3.88Å; L55-I85 HydrophobicContact CD2-CG2 4Å; L55-I85 HydrophobicContact CG-CG2 4.45Å; L76-I85 HydrophobicContact CD1-CD1 3.6Å; L76-I85 HydrophobicContact CD1-CG1 4.32Å; L76-I85 HydrophobicContact CG-CD1 3.9Å; L79-I85 HydrophobicContact CB-CG1 3.79Å; D80-I85 HydrophobicContact CB-CD1 3.66Å; D80-I85 HydrophobicContact CB-CG1 4.42Å; I85-Y130 HydrophobicContact CB-CE2 4.39Å; I85-Y130 HydrophobicContact CD1-CE2 4.07Å; I85-Y130 HydrophobicContact CG2-CE2 3.89Å
86	W	81.4	Confident	91.2	Very high	71 Å²	71	51.8 Å²	51.8	27%	0.269	26%	0.255	S	S	.	.			trans	-122.3	122.5	167.7	173.9	45.4	0	0	0	109.3	K259 R289	W86-K259 HydrophobicContact CD2-CD 3.94Å; W86-K259 HydrophobicContact CE3-CD 4.31Å; W86-K259 HydrophobicContact CG-CD 4.03Å; W86-K259 HydrophobicContact CZ3-CB 4.42Å; W86-R289 HydrophobicContact CE3-CG 4.47Å; W86-R289 HydrophobicContact CH2-CB 4.03Å; W86-R289 HydrophobicContact CH2-CG 3.64Å; W86-R289 HydrophobicContact CZ3-CB 3.8Å; W86-R289 HydrophobicContact CZ3-CG 3.45Å; W86-R289 VanDerWaalsContact CZ3-CG 3.45Å; W86-R289 PolarHBondContact O-NH2 2.85Å
87	T	87.7	Confident	91.1	Very high	34 Å²	34	58.4 Å²	58.4	21%	0.209	28%	0.284	C	S	.	.			trans	-74	144.1	179.1	52.4	0	0	0	0	111.3	E53 H54 L55 Y130	E53-T87 HydrophobicContact CB-CG2 3.98Å; E53-T87 HydrophobicContact CG-CG2 4.32Å; E53-T87 WeakPolarHBondContact OE1-CB 3.26Å; E53-T87 WeakPolarHBondContact OE1-CG2 3.27Å; E53-T87 PolarHBondContact OE1-OG1 2.99Å; E53-T87 VanDerWaalsContact OE1-OG1 3.11Å; H54-T87 CarbonylContact O-C 3.12Å; H54-T87 WeakPolarHBondContact O-CA 3.39Å; L55-T87 HydrophobicContact CD2-CG2 3.73Å; T87-Y130 HydrophobicContact CG2-CE1 3.73Å; T87-Y130 WeakPolarHBondContact CG2-OH 3.45Å
88	Q	85.8	Confident	91	Very high	32 Å²	32	56 Å²	56	15%	0.15	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	111.5	166.3	173	64.2	66.4	0	0	107.6	E53 H54 M90 L288	E53-Q88 CarbonylContact C-O 3.53Å; E53-Q88 WeakPolarHBondContact CA-O 3.38Å; H54-Q88 HydrophobicContact CB-CB 4.46Å; H54-Q88 PolarHBondContact N-O 3.41Å; H54-Q88 PolarHBondContact O-N 3.25Å; Q88-M90 HydrophobicContact CB-CE 4.09Å; Q88-M90 HydrophobicContact CG-CE 3.59Å; Q88-L288 HydrophobicContact CG-CD2 4.06Å
89	E	87	Confident	91.1	Very high	97 Å²	97	52 Å²	52	45%	0.453	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	136.8	171.3	-67.6	178	131.9	0	0	109.6	H51 E53	H51-E89 IonicContact CE1-OE1 3.18Å; H51-E89 IonicContact NE2-OE1 2.86Å; E53-E89 HydrophobicContact CG-CG 4.18Å
90	M	89.7	Confident	91.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	169.1	178.3	58.4	-175.7	59.6	0	0	110.9	V52 H54 Q88 L101 L102 C104 L110 F151 M285	V52-M90 HydrophobicContact CG2-CG 3.74Å; V52-M90 PolarHBondContact N-O 3.21Å; V52-M90 PolarHBondContact O-N 3.21Å; V52-M90 VanDerWaalsContact O-O 3.06Å; H54-M90 HydrophobicContact CB-CE 3.46Å; H54-M90 VanDerWaalsContact CB-CE 3.46Å; H54-M90 HydrophobicContact CB-SD 3.75Å; Q88-M90 HydrophobicContact CB-CE 4.09Å; Q88-M90 HydrophobicContact CG-CE 3.59Å; M90-L101 HydrophobicContact SD-CB 4.15Å; M90-L101 HydrophobicContact SD-CD1 3.86Å; M90-L101 HydrophobicContact SD-CD2 3.98Å; M90-L101 HydrophobicContact SD-CG 4.22Å; M90-L102 WeakPolarHBondContact CB-O 3.48Å; M90-C104 WeakPolarHBondContact CA-SG 3.36Å; M90-L110 HydrophobicContact CB-CD1 4.37Å; M90-L110 HydrophobicContact CE-CD1 4.38Å; M90-F151 HydrophobicContact SD-CD1 4.24Å; M90-F151 HydrophobicContact SD-CE1 3.91Å; M90-M285 HydrophobicContact CE-CG 4Å; M90-M285 HydrophobicContact CE-SD 3.67Å; M90-M285 HydrophobicContact SD-SD 3.99Å
91	L	91.6	Very high	91.3	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.8	177	-63.2	164	0	0	0	109.9	Q49 Y50 L101 L102	Q49-L91 HydrophobicContact CG-CB 4.07Å; Q49-L91 HydrophobicContact CG-CD2 4.36Å; Y50-L91 CarbonylContact O-C 3.59Å; Y50-L91 WeakPolarHBondContact O-CA 3.46Å; L91-L101 WeakPolarHBondContact O-CA 3.27Å; L91-L102 HydrophobicContact CB-CB 4.25Å; L91-L102 PolarHBondContact N-O 3.09Å; L91-L102 PolarHBondContact O-N 3.36Å
92	L	96.3	Very high	91.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	112.9	172.5	-170.7	163.5	0	0	0	108.5	Q49 Y50 V52 V94 V99 R100 L101 L134 F151 V161 I165	Q49-L92 CarbonylContact C-O 3.5Å; Q49-L92 WeakPolarHBondContact CA-O 3.39Å; Y50-L92 HydrophobicContact CD2-CD2 4.47Å; Y50-L92 PolarHBondContact N-O 3.48Å; Y50-L92 PolarHBondContact O-N 3.47Å; V52-L92 HydrophobicContact CG1-CB 4.09Å; V52-L92 HydrophobicContact CG1-CD1 4.44Å; V52-L92 HydrophobicContact CG2-CB 3.82Å; V52-L92 HydrophobicContact CG2-CD1 4.47Å; L92-V94 HydrophobicContact CD2-CG2 3.46Å; L92-V94 VanDerWaalsContact CD2-CG2 3.46Å; L92-V99 HydrophobicContact CD2-CG1 3.82Å; L92-V99 HydrophobicContact CG-CG1 4.07Å; L92-R100 CarbonylContact C-O 3.5Å; L92-R100 WeakPolarHBondContact CA-O 3.26Å; L92-L101 HydrophobicContact CB-CD2 4.11Å; L92-L101 HydrophobicContact CD1-CD2 4.32Å; L92-L101 HydrophobicContact CG-CD2 4Å; L92-L134 HydrophobicContact CD1-CD2 3.81Å; L92-F151 HydrophobicContact CD1-CD2 4.39Å; L92-V161 HydrophobicContact CD1-CG1 4.38Å; L92-V161 HydrophobicContact CD2-CG1 3.96Å; L92-I165 HydrophobicContact CD2-CD1 4.29Å
93	Q	95.9	Very high	90.7	Very high	18 Å²	18	41.8 Å²	41.8	8%	0.084	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130	-178.2	-165.9	-172.3	93.5	0	0	110.7	T47 S48 Q49 V99 R100 L102	T47-Q93 HydrophobicContact CG2-CG 3.7Å; S48-Q93 CarbonylContact O-C 3.58Å; S48-Q93 VanDerWaalsContact O-CA 3.28Å; S48-Q93 WeakPolarHBondContact O-CA 3.44Å; S48-Q93 WeakPolarHBondContact O-CG 3.03Å; Q49-Q93 HydrophobicContact CB-CG 4.25Å; Q49-Q93 HydrophobicContact CG-CB 4.29Å; Q49-Q93 HydrophobicContact CG-CG 4.41Å; Q93-V99 CarbonylContact O-C 3.41Å; Q93-V99 WeakPolarHBondContact O-CA 3.38Å; Q93-R100 PolarHBondContact N-O 3.22Å; Q93-R100 PolarHBondContact O-N 2.92Å; Q93-L102 HydrophobicContact CB-CD1 4.42Å
94	V	96.4	Very high	90.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.8	-177.9	-168.2	0	0	0	0	110.1	S48 Y50 L92 V99 I165 A168 R179	S48-V94 PolarHBondContact N-O 2.93Å; S48-V94 PolarHBondContact O-N 3.21Å; S48-V94 WeakPolarHBondContact OG-CB 3.46Å; S48-V94 PolarHBondContact OG-O 3.29Å; Y50-V94 HydrophobicContact CE2-CG2 4.43Å; L92-V94 HydrophobicContact CD2-CG2 3.46Å; L92-V94 VanDerWaalsContact CD2-CG2 3.46Å; V94-V99 HydrophobicContact CG1-CG2 4.23Å; V94-V99 HydrophobicContact CG2-CG2 4.48Å; V94-I165 HydrophobicContact CG1-CG1 4.06Å; V94-I165 HydrophobicContact CG2-CD1 4.27Å; V94-I165 HydrophobicContact CG2-CG1 3.68Å; V94-A168 HydrophobicContact CG1-CB 4.26Å; V94-R179 PolarHBondContact O-NH1 3.38Å; V94-R179 PolarHBondContact O-NH2 3.43Å
95	T	93.6	Very high	89.9	Confident	16 Å²	16	37.5 Å²	37.5	10%	0.098	18%	0.184	C	C	.	.			trans	-119.6	171.3	-178.3	63.5	0	0	0	0	110.7	T47 K97 A98 R179	T47-T95 HydrophobicContact CG2-CG2 4.25Å; T95-K97 PolarHBondContact O-N 3.12Å; T95-K97 VanDerWaalsContact O-N 3.1Å; T95-K97 PolarHBondContact OG1-N 2.88Å; T95-A98 PolarHBondContact N-O 3.06Å; T95-A98 PolarHBondContact OG1-N 3.19Å; T95-A98 PolarHBondContact OG1-O 3.33Å; T95-R179 PolarHBondContact O-NH1 3.48Å
96	D	90.4	Very high	89.4	Confident	71 Å²	71	40 Å²	40	38%	0.38	20%	0.2	S	C	.	.	S	Bend	trans	-63.1	-11	175.4	75.5	-47.8	0	0	0	114.2	L115	D96-L115 WeakPolarHBondContact O-CD1 3.46Å
97	K	92.4	Very high	89.4	Confident	140 Å²	140	41.1 Å²	41.1	61%	0.609	21%	0.208	S	C	*	.	S	Bend	trans	-119.7	-30.2	-176.3	-66.4	166.9	-166.5	70.2	0	114.3	T95 P114 L115	T95-K97 PolarHBondContact O-N 3.12Å; T95-K97 VanDerWaalsContact O-N 3.1Å; T95-K97 PolarHBondContact OG1-N 2.88Å; K97-P114 WeakPolarHBondContact O-CA 3.44Å; K97-L115 PolarHBondContact O-N 3.35Å
98	A	95.4	Very high	89.3	Confident	7 Å²	7	45 Å²	45	6%	0.058	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	154.9	-172	0	0	0	0	0	114.2	T95 R100 N112 F113	T95-A98 PolarHBondContact N-O 3.06Å; T95-A98 PolarHBondContact OG1-N 3.19Å; T95-A98 PolarHBondContact OG1-O 3.33Å; A98-R100 HydrophobicContact CB-CG 4.35Å; A98-N112 WeakPolarHBondContact CB-OD1 3.26Å; A98-F113 CarbonylContact C-O 3.6Å; A98-F113 VanDerWaalsContact CA-O 3.3Å; A98-F113 WeakPolarHBondContact CA-O 3.27Å; A98-F113 WeakPolarHBondContact CB-O 3.34Å
99	V	96.6	Very high	89.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.7	158	-178.4	0	0	0	0	107.8	L92 Q93 V94 F113 L115 L136 I165	L92-V99 HydrophobicContact CD2-CG1 3.82Å; L92-V99 HydrophobicContact CG-CG1 4.07Å; Q93-V99 CarbonylContact O-C 3.41Å; Q93-V99 WeakPolarHBondContact O-CA 3.38Å; V94-V99 HydrophobicContact CG1-CG2 4.23Å; V94-V99 HydrophobicContact CG2-CG2 4.48Å; V99-F113 HydrophobicContact CB-CB 4.49Å; V99-F113 PolarHBondContact N-O 2.94Å; V99-F113 PolarHBondContact O-N 2.66Å; V99-L115 HydrophobicContact CG2-CD2 4.18Å; V99-L136 HydrophobicContact CG1-CD2 4.16Å; V99-I165 HydrophobicContact CG2-CD1 4.27Å; V99-I165 HydrophobicContact CG2-CG1 4.1Å; V99-I165 HydrophobicContact CG2-CG2 4.18Å
100	R	95	Very high	89.6	Confident	70 Å²	70	43 Å²	43	26%	0.264	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.6	179.8	-62.2	-166.2	-74.8	-178.5	-3.5	111.4	L92 Q93 A98 L102 E109 E111 N112	L92-R100 CarbonylContact C-O 3.5Å; L92-R100 WeakPolarHBondContact CA-O 3.26Å; Q93-R100 PolarHBondContact N-O 3.22Å; Q93-R100 PolarHBondContact O-N 2.92Å; A98-R100 HydrophobicContact CB-CG 4.35Å; R100-L102 HydrophobicContact CB-CD2 4.36Å; R100-E109 WeakPolarHBondContact CD-OE2 3.47Å; R100-E109 IonicContact CZ-OE2 2.72Å; R100-E109 IonicContact NE-OE2 2.71Å; R100-E109 IonicContact NH1-OE2 2.61Å; R100-E109 PolarHBondContact NH1-OE2 2.83Å; R100-E111 WeakPolarHBondContact CA-O 3.49Å; R100-N112 HydrophobicContact CG-CB 4.26Å
101	L	95.1	Very high	89.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.1	170.6	-55.5	178.6	0	0	0	108	M90 L91 L92 L110 E111 F113 F151 M285	M90-L101 HydrophobicContact SD-CB 4.15Å; M90-L101 HydrophobicContact SD-CD1 3.86Å; M90-L101 HydrophobicContact SD-CD2 3.98Å; M90-L101 HydrophobicContact SD-CG 4.22Å; L91-L101 WeakPolarHBondContact O-CA 3.27Å; L92-L101 HydrophobicContact CB-CD2 4.11Å; L92-L101 HydrophobicContact CD1-CD2 4.32Å; L92-L101 HydrophobicContact CG-CD2 4Å; L101-L110 HydrophobicContact CB-CB 4.33Å; L101-L110 WeakPolarHBondContact O-CB 3.25Å; L101-L110 PolarHBondContact O-N 2.86Å; L101-E111 HydrophobicContact CB-CB 4.23Å; L101-E111 HydrophobicContact CD1-CB 4.04Å; L101-E111 HydrophobicContact CD1-CG 4.14Å; L101-E111 HydrophobicContact CG-CB 4.26Å; L101-E111 PolarHBondContact N-O 3.48Å; L101-E111 PolarHBondContact O-N 3.19Å; L101-F113 HydrophobicContact CD1-CE2 3.92Å; L101-F113 HydrophobicContact CD1-CZ 4.41Å; L101-F113 HydrophobicContact CG-CE2 4.07Å; L101-F151 HydrophobicContact CD1-CE1 3.76Å; L101-F151 HydrophobicContact CD1-CZ 3.86Å; L101-F151 HydrophobicContact CD2-CE1 3.76Å; L101-F151 HydrophobicContact CD2-CZ 3.97Å; L101-F151 HydrophobicContact CG-CE1 4.44Å; L101-M285 HydrophobicContact CD1-CE 4.04Å; L101-M285 HydrophobicContact CD1-CG 4.14Å; L101-M285 HydrophobicContact CD1-SD 3.5Å; L101-M285 VanDerWaalsContact CD1-SD 3.5Å
102	L	89.1	Confident	89.6	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.3	179.1	-46.5	179.1	0	0	0	110.5	M90 L91 Q93 R100 E108 E109	M90-L102 WeakPolarHBondContact CB-O 3.48Å; L91-L102 HydrophobicContact CB-CB 4.25Å; L91-L102 PolarHBondContact N-O 3.09Å; L91-L102 PolarHBondContact O-N 3.36Å; Q93-L102 HydrophobicContact CB-CD1 4.42Å; R100-L102 HydrophobicContact CB-CD2 4.36Å; L102-E108 CarbonylContact C-O 3.55Å; L102-E108 VanDerWaalsContact CA-O 3.27Å; L102-E108 WeakPolarHBondContact CA-O 3.47Å; L102-E109 HydrophobicContact CD2-CB 4.04Å; L102-E109 HydrophobicContact CD2-CG 4.16Å
103	D	85.4	Confident	89.5	Confident	11 Å²	11	47.4 Å²	47.4	6%	0.059	24%	0.237	C	C	.	.			trans	-65.3	138.7	169.1	179.2	-117.8	0	0	0	111.4	D105 T106 Q107 E108 L110	D103-D105 PolarHBondContact O-N 2.94Å; D103-D105 PolarHBondContact OD1-N 3.26Å; D103-T106 WeakPolarHBondContact CB-OG1 3.49Å; D103-T106 WeakPolarHBondContact OD1-CB 3.25Å; D103-T106 WeakPolarHBondContact OD1-CG2 3.28Å; D103-T106 PolarHBondContact OD1-N 3.46Å; D103-T106 PolarHBondContact OD1-OG1 2.91Å; D103-Q107 VanDerWaalsContact O-CA 3.29Å; D103-Q107 WeakPolarHBondContact O-CA 3.49Å; D103-Q107 PolarHBondContact O-N 2.94Å; D103-Q107 PolarHBondContact O-NE2 2.72Å; D103-E108 HydrophobicContact CB-CB 4.32Å; D103-E108 PolarHBondContact N-O 2.93Å; D103-L110 HydrophobicContact CB-CD2 4.23Å
104	C	79.9	Confident	89.4	Confident	35 Å²	35	48.9 Å²	48.9	24%	0.236	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-44.6	-176.4	-75.9	0	0	0	0	112.7	M90 Q107	M90-C104 WeakPolarHBondContact CA-SG 3.36Å; C104-Q107 PolarHBondContact O-NE2 3.06Å
105	D	75.2	Confident	89.3	Confident	155 Å²	155	48.9 Å²	48.9	83%	0.829	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-42.4	-171.1	-64.9	-43.1	0	0	0	112.5	D103	D103-D105 PolarHBondContact O-N 2.94Å; D103-D105 PolarHBondContact OD1-N 3.26Å
106	T	77.7	Confident	89.3	Confident	68 Å²	68	52.9 Å²	52.9	42%	0.417	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-14.3	-174	63.8	0	0	0	0	114.5	D103 E108	D103-T106 WeakPolarHBondContact CB-OG1 3.49Å; D103-T106 WeakPolarHBondContact OD1-CB 3.25Å; D103-T106 WeakPolarHBondContact OD1-CG2 3.28Å; D103-T106 PolarHBondContact OD1-N 3.46Å; D103-T106 PolarHBondContact OD1-OG1 2.91Å; T106-E108 PolarHBondContact O-N 2.91Å; T106-E108 WeakPolarHBondContact OG1-CB 3.43Å; T106-E108 PolarHBondContact OG1-N 3.38Å
107	Q	81.3	Confident	89.5	Confident	94 Å²	94	49.9 Å²	49.9	44%	0.439	26%	0.257	S	S	.	.			trans	59.4	18.3	-170.5	-50.8	-68.5	-71.6	0	0	114.1	D103 C104	D103-Q107 VanDerWaalsContact O-CA 3.29Å; D103-Q107 WeakPolarHBondContact O-CA 3.49Å; D103-Q107 PolarHBondContact O-N 2.94Å; D103-Q107 PolarHBondContact O-NE2 2.72Å; C104-Q107 PolarHBondContact O-NE2 3.06Å
108	E	85.1	Confident	89.6	Confident	116 Å²	116	43.5 Å²	43.5	54%	0.542	23%	0.229	S	C	.	.			trans	-63.8	135.7	176.9	-174.2	177.6	172.4	0	0	111.4	L102 D103 T106 L110	L102-E108 CarbonylContact C-O 3.55Å; L102-E108 VanDerWaalsContact CA-O 3.27Å; L102-E108 WeakPolarHBondContact CA-O 3.47Å; D103-E108 HydrophobicContact CB-CB 4.32Å; D103-E108 PolarHBondContact N-O 2.93Å; T106-E108 PolarHBondContact O-N 2.91Å; T106-E108 WeakPolarHBondContact OG1-CB 3.43Å; T106-E108 PolarHBondContact OG1-N 3.38Å; E108-L110 PolarHBondContact O-N 2.77Å; E108-L110 VanDerWaalsContact O-N 3.14Å
109	E	89.2	Confident	89.5	Confident	79 Å²	79	48.4 Å²	48.4	37%	0.369	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	100.7	178.2	-170.2	174.9	112.2	0	0	110.9	R100 L102 N112	R100-E109 WeakPolarHBondContact CD-OE2 3.47Å; R100-E109 IonicContact CZ-OE2 2.72Å; R100-E109 IonicContact NE-OE2 2.71Å; R100-E109 IonicContact NH1-OE2 2.61Å; R100-E109 PolarHBondContact NH1-OE2 2.83Å; L102-E109 HydrophobicContact CD2-CB 4.04Å; L102-E109 HydrophobicContact CD2-CG 4.16Å; E109-N112 HydrophobicContact CG-CB 4.38Å; E109-N112 WeakPolarHBondContact OE1-CB 3.49Å; E109-N112 PolarHBondContact OE1-ND2 3.34Å
110	L	89.2	Confident	89.5	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-57.8	-179.8	-53.2	175.9	0	0	0	110.2	M90 L101 D103 E108 K279 G284 L288	M90-L110 HydrophobicContact CB-CD1 4.37Å; M90-L110 HydrophobicContact CE-CD1 4.38Å; L101-L110 HydrophobicContact CB-CB 4.33Å; L101-L110 WeakPolarHBondContact O-CB 3.25Å; L101-L110 PolarHBondContact O-N 2.86Å; D103-L110 HydrophobicContact CB-CD2 4.23Å; E108-L110 PolarHBondContact O-N 2.77Å; E108-L110 VanDerWaalsContact O-N 3.14Å; L110-K279 PolarHBondContact O-NZ 3.1Å; L110-G284 WeakPolarHBondContact O-CA 3.35Å; L110-L288 HydrophobicContact CD1-CD2 3.63Å; L110-L288 HydrophobicContact CD2-CB 3.97Å; L110-L288 HydrophobicContact CD2-CD2 4.04Å; L110-L288 HydrophobicContact CD2-CG 4.46Å; L110-L288 HydrophobicContact CG-CD2 4.49Å
111	E	90.9	Very high	89.6	Confident	21 Å²	21	48.3 Å²	48.3	10%	0.098	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.3	-178.1	-57.8	-64.5	177.4	0	0	111	R100 L101 F113 A282 E283 G284 M285	R100-E111 WeakPolarHBondContact CA-O 3.49Å; L101-E111 HydrophobicContact CB-CB 4.23Å; L101-E111 HydrophobicContact CD1-CB 4.04Å; L101-E111 HydrophobicContact CD1-CG 4.14Å; L101-E111 HydrophobicContact CG-CB 4.26Å; L101-E111 PolarHBondContact N-O 3.48Å; L101-E111 PolarHBondContact O-N 3.19Å; E111-F113 HydrophobicContact CB-CE1 4.5Å; E111-F113 HydrophobicContact CB-CE2 3.92Å; E111-F113 HydrophobicContact CB-CZ 3.81Å; E111-F113 HydrophobicContact CG-CZ 4.28Å; E111-A282 WeakPolarHBondContact OE1-CA 3.22Å; E111-E283 PolarHBondContact OE1-N 2.98Å; E111-G284 WeakPolarHBondContact OE1-CA 3.47Å; E111-G284 PolarHBondContact OE1-N 3.44Å; E111-M285 HydrophobicContact CG-CG 3.99Å; E111-M285 PolarHBondContact OE1-N 3.46Å
112	N	92.1	Very high	89.7	Confident	63 Å²	63	51.6 Å²	51.6	34%	0.337	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	112.2	-176.8	-174.5	-16.4	0	0	0	109.2	A98 R100 E109 P114	A98-N112 WeakPolarHBondContact CB-OD1 3.26Å; R100-N112 HydrophobicContact CG-CB 4.26Å; E109-N112 HydrophobicContact CG-CB 4.38Å; E109-N112 WeakPolarHBondContact OE1-CB 3.49Å; E109-N112 PolarHBondContact OE1-ND2 3.34Å; N112-P114 WeakPolarHBondContact O-CD 3.37Å
113	F	93.8	Very high	90.1	Very high	14 Å²	14	52.9 Å²	52.9	6%	0.061	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	98.4	-177.9	-49.4	-74.1	0	0	0	109.2	A98 V99 L101 E111 V118 L136 C138 H149	A98-F113 CarbonylContact C-O 3.6Å; A98-F113 VanDerWaalsContact CA-O 3.3Å; A98-F113 WeakPolarHBondContact CA-O 3.27Å; A98-F113 WeakPolarHBondContact CB-O 3.34Å; V99-F113 HydrophobicContact CB-CB 4.49Å; V99-F113 PolarHBondContact N-O 2.94Å; V99-F113 PolarHBondContact O-N 2.66Å; L101-F113 HydrophobicContact CD1-CE2 3.92Å; L101-F113 HydrophobicContact CD1-CZ 4.41Å; L101-F113 HydrophobicContact CG-CE2 4.07Å; E111-F113 HydrophobicContact CB-CE1 4.5Å; E111-F113 HydrophobicContact CB-CE2 3.92Å; E111-F113 HydrophobicContact CB-CZ 3.81Å; E111-F113 HydrophobicContact CG-CZ 4.28Å; F113-V118 HydrophobicContact CB-CG2 4.05Å; F113-L136 HydrophobicContact CD2-CD2 4.15Å; F113-L136 HydrophobicContact CE2-CD2 4.46Å; F113-C138 HydrophobicContact CD1-CB 3.86Å; F113-C138 VanDerWaalsContact CD1-SG 3.54Å; F113-C138 HydrophobicContact CE1-CB 4.19Å; F113-H149 AromaticContact CE1-NE2 3.51Å; F113-H149 AromaticContact CZ-CD2 3.99Å; F113-H149 AromaticContact CZ-CE1 3.9Å; F113-H149 AromaticContact CZ-NE2 3.56Å
114	P	94.6	Very high	90.6	Very high	48 Å²	48	52.6 Å²	52.6	31%	0.312	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	143.4	171.2	-26.7	35.1	0	0	0	111.5	K97 N112 T116 T117 V118	K97-P114 WeakPolarHBondContact O-CA 3.44Å; N112-P114 WeakPolarHBondContact O-CD 3.37Å; P114-T116 PolarHBondContact O-N 2.77Å; P114-T117 PolarHBondContact O-N 2.77Å; P114-T117 PolarHBondContact O-OG1 3.18Å; P114-T117 VanDerWaalsContact O-OG1 3.09Å; P114-V118 PolarHBondContact O-N 3.16Å
115	L	94.3	Very high	91.3	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-6.5	-180	-67.7	174.3	0	0	0	113.7	D96 K97 V99 A168 L169 N172	D96-L115 WeakPolarHBondContact O-CD1 3.46Å; K97-L115 PolarHBondContact O-N 3.35Å; V99-L115 HydrophobicContact CG2-CD2 4.18Å; L115-A168 HydrophobicContact CD1-CB 3.8Å; L115-A168 HydrophobicContact CD2-CB 4.09Å; L115-L169 HydrophobicContact CB-CD2 4.03Å; L115-L169 HydrophobicContact CD2-CD2 3.78Å; L115-L169 HydrophobicContact CD2-CG 4.21Å; L115-L169 HydrophobicContact CG-CD2 4.48Å; L115-L169 VanDerWaalsContact O-CD2 3.29Å; L115-L169 WeakPolarHBondContact O-CD2 3.24Å; L115-N172 HydrophobicContact CB-CB 4.35Å; L115-N172 WeakPolarHBondContact CB-ND2 3.14Å; L115-N172 HydrophobicContact CD1-CB 4.2Å; L115-N172 PolarHBondContact O-ND2 3.2Å
116	T	92.9	Very high	92.1	Very high	99 Å²	99	52.3 Å²	52.3	61%	0.607	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-14.4	170.9	57.6	0	0	0	0	114.5	P114	P114-T116 PolarHBondContact O-N 2.77Å
117	T	93.9	Very high	92.6	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.055	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-12.4	178.4	63.8	0	0	0	0	112.5	P114 H119 C138 Q139 D140	P114-T117 PolarHBondContact O-N 2.77Å; P114-T117 PolarHBondContact O-OG1 3.18Å; P114-T117 VanDerWaalsContact O-OG1 3.09Å; T117-H119 PolarHBondContact O-CD2 2.7Å; T117-H119 VanDerWaalsContact O-CD2 3.24Å; T117-H119 PolarHBondContact O-N 2.72Å; T117-C138 CarbonylContact O-C 3.55Å; T117-C138 VanDerWaalsContact O-CA 3.3Å; T117-C138 WeakPolarHBondContact O-CA 3.26Å; T117-Q139 VanDerWaalsContact CB-O 3.25Å; T117-Q139 WeakPolarHBondContact CB-O 3.33Å; T117-Q139 PolarHBondContact O-N 2.94Å; T117-D140 WeakPolarHBondContact CG2-OD1 3.48Å; T117-D140 PolarHBondContact OG1-OD1 2.91Å
118	V	95.3	Very high	92.9	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	115.1	169.3	-179.5	0	0	0	0	110.3	F113 P114 L136 L169	F113-V118 HydrophobicContact CB-CG2 4.05Å; P114-V118 PolarHBondContact O-N 3.16Å; V118-L136 HydrophobicContact CG1-CD1 3.62Å; V118-L136 HydrophobicContact CG1-CG 4.38Å; V118-L136 HydrophobicContact CG2-CD1 4.49Å; V118-L169 HydrophobicContact CB-CD2 3.95Å; V118-L169 HydrophobicContact CG1-CD1 3.87Å; V118-L169 HydrophobicContact CG1-CD2 4.14Å
119	H	93.7	Very high	93.1	Very high	110 Å²	110	52.5 Å²	52.5	51%	0.509	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-41.4	-179.4	-76.3	-82.7	0	0	0	113.2	T117 M137	T117-H119 PolarHBondContact O-CD2 2.7Å; T117-H119 VanDerWaalsContact O-CD2 3.24Å; T117-H119 PolarHBondContact O-N 2.72Å; H119-M137 HydrophobicContact CB-CG 4.45Å; H119-M137 HydrophobicContact CB-SD 4.15Å; H119-M137 PolarHBondContact N-O 3.17Å
120	L	95.4	Very high	93.2	Very high	58 Å²	58	49.2 Å²	49.2	30%	0.304	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.5	-177.8	179.1	66.4	0	0	0	109.9	V69 Q122 M137	V69-L120 HydrophobicContact CG2-CD2 3.78Å; L120-Q122 HydrophobicContact CG-CB 4.43Å; L120-M137 HydrophobicContact CB-CB 3.96Å; L120-M137 HydrophobicContact CD2-CE 4.25Å; L120-M137 PolarHBondContact N-O 2.95Å; L120-M137 PolarHBondContact O-N 3.02Å
121	C	97.4	Very high	93.3	Very high	10 Å²	10	52 Å²	52	7%	0.068	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140	159.5	-165.3	0	0	0	0	107.4	L135 L136 H162 I165	C121-L135 CarbonylContact C-O 3.56Å; C121-L135 WeakPolarHBondContact CA-O 3.14Å; C121-L136 HydrophobicContact CB-CD1 4.13Å; C121-H162 PolarHBondContact O-NE2 2.72Å; C121-I165 HydrophobicContact CB-CB 4.5Å; C121-I165 HydrophobicContact CB-CG2 3.9Å
122	Q	96.7	Very high	93.6	Very high	69 Å²	69	51.9 Å²	51.9	32%	0.322	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	153.5	-178.8	179.3	174.9	-12.7	0	0	110.7	L120 L135	L120-Q122 HydrophobicContact CG-CB 4.43Å; Q122-L135 HydrophobicContact CB-CB 4.4Å; Q122-L135 PolarHBondContact N-O 2.71Å; Q122-L135 WeakPolarHBondContact O-CB 3.41Å; Q122-L135 PolarHBondContact O-N 2.8Å
123	T	97.5	Very high	93.8	Very high	37 Å²	37	48.9 Å²	48.9	23%	0.227	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.5	169.4	51.5	0	0	0	0	112.4	V133 A158 E159 H162	T123-V133 WeakPolarHBondContact CA-O 3.38Å; T123-A158 HydrophobicContact CG2-CB 4.09Å; T123-E159 HydrophobicContact CG2-CB 4.39Å; T123-E159 HydrophobicContact CG2-CG 3.96Å; T123-H162 HydrophobicContact CG2-CB 3.79Å
124	V	96.4	Very high	94	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.03	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	105	171.9	-177.6	0	0	0	0	107.3	I73 Q127 V133 L135 F150	I73-V124 HydrophobicContact CD1-CG2 3.71Å; I73-V124 HydrophobicContact CG1-CG2 4.03Å; I73-V124 HydrophobicContact CG2-CG1 4.22Å; V124-Q127 HydrophobicContact CG1-CB 4.12Å; V124-Q127 HydrophobicContact CG1-CG 3.98Å; V124-V133 HydrophobicContact CB-CB 4.3Å; V124-V133 PolarHBondContact N-O 3.21Å; V124-V133 WeakPolarHBondContact O-CB 3.43Å; V124-V133 PolarHBondContact O-N 2.93Å; V124-L135 HydrophobicContact CG2-CB 4.31Å; V124-L135 HydrophobicContact CG2-CD1 4.22Å; V124-F150 HydrophobicContact CG2-CE1 4.48Å
125	L	95.5	Very high	94.2	Very high	56 Å²	56	46 Å²	46	29%	0.293	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.6	-169.7	-55.8	-179.9	0	0	0	111.4	Q127 P131 E159	L125-Q127 WeakPolarHBondContact O-CG 3.42Å; L125-Q127 PolarHBondContact O-N 3.36Å; L125-Q127 VanDerWaalsContact O-N 3.14Å; L125-P131 WeakPolarHBondContact CA-O 3.3Å; L125-E159 HydrophobicContact CD1-CG 4.13Å
126	N	91.3	Very high	94.4	Very high	129 Å²	129	45.9 Å²	45.9	69%	0.69	24%	0.235	S	C	*	.	S	Bend	trans	55.4	25.9	172.8	-54.3	-67.8	0	0	0	116.3	P131	N126-P131 PolarHBondContact N-O 3.42Å; N126-P131 WeakPolarHBondContact OD1-CB 3.35Å
127	Q	87.8	Confident	94.5	Very high	98 Å²	98	42.3 Å²	42.3	46%	0.458	21%	0.212	S	C	.	.	S	Bend	trans	-97.2	-9.5	178.4	-56.1	-166.8	10.3	0	0	114.3	I77 V124 L125	I77-Q127 HydrophobicContact CD1-CB 4.1Å; I77-Q127 HydrophobicContact CG1-CB 4.5Å; V124-Q127 HydrophobicContact CG1-CB 4.12Å; V124-Q127 HydrophobicContact CG1-CG 3.98Å; L125-Q127 WeakPolarHBondContact O-CG 3.42Å; L125-Q127 PolarHBondContact O-N 3.36Å; L125-Q127 VanDerWaalsContact O-N 3.14Å
128	T	89.1	Confident	94.6	Very high	23 Å²	23	41.9 Å²	41.9	14%	0.141	21%	0.21	C	C	.	.	S	Bend	trans	-136.1	179.6	179.7	63.1	0	0	0	0	108.6	L76 I77 D80 Y130	L76-T128 HydrophobicContact CD2-CG2 4.18Å; L76-T128 HydrophobicContact CG-CG2 4.44Å; I77-T128 HydrophobicContact CG1-CG2 3.87Å; D80-T128 HydrophobicContact CB-CG2 4.26Å; D80-T128 WeakPolarHBondContact OD2-CA 3.22Å; D80-T128 VanDerWaalsContact OD2-CB 3.26Å; D80-T128 WeakPolarHBondContact OD2-CB 3.45Å; T128-Y130 PolarHBondContact O-N 2.78Å; T128-Y130 VanDerWaalsContact O-N 3.1Å; T128-Y130 WeakPolarHBondContact OG1-CB 3.35Å; T128-Y130 PolarHBondContact OG1-N 2.82Å; T128-Y130 VanDerWaalsContact OG1-N 3.14Å; T128-Y130 PolarHBondContact OG1-O 2.85Å; T128-Y130 VanDerWaalsContact OG1-O 3.07Å
129	R	89.1	Confident	94.4	Very high	160 Å²	160	44.4 Å²	44.4	60%	0.604	22%	0.221	S	C	*	.	S	Bend	trans	-57.9	-17.5	167	69.5	-173.5	-86.3	-140.4	-13	113.7	D80 P131	D80-R129 WeakPolarHBondContact OD1-CD 3.05Å; D80-R129 WeakPolarHBondContact OD1-CG 3.35Å; D80-R129 PolarHBondContact OD2-N 3.18Å; R129-P131 WeakPolarHBondContact O-CD 3.41Å
130	Y	91.2	Very high	93.9	Very high	11 Å²	11	41.5 Å²	41.5	4%	0.043	21%	0.209	C	C	.	.	S	Bend	trans	-91	109.4	174.5	-53.4	-81.8	0	0	0	108.8	L55 D80 I85 T87 T128 H152	L55-Y130 HydrophobicContact CD1-CD2 3.9Å; L55-Y130 HydrophobicContact CD1-CE2 4.38Å; L55-Y130 HydrophobicContact CD1-CG 4.08Å; L55-Y130 HydrophobicContact CD2-CD1 4.05Å; L55-Y130 HydrophobicContact CD2-CD2 4.22Å; L55-Y130 HydrophobicContact CD2-CE1 3.86Å; L55-Y130 HydrophobicContact CD2-CE2 4.07Å; L55-Y130 HydrophobicContact CD2-CG 4.22Å; D80-Y130 WeakPolarHBondContact OD1-CE2 3.35Å; I85-Y130 HydrophobicContact CB-CE2 4.39Å; I85-Y130 HydrophobicContact CD1-CE2 4.07Å; I85-Y130 HydrophobicContact CG2-CE2 3.89Å; T87-Y130 HydrophobicContact CG2-CE1 3.73Å; T87-Y130 WeakPolarHBondContact CG2-OH 3.45Å; T128-Y130 PolarHBondContact O-N 2.78Å; T128-Y130 VanDerWaalsContact O-N 3.1Å; T128-Y130 WeakPolarHBondContact OG1-CB 3.35Å; T128-Y130 PolarHBondContact OG1-N 2.82Å; T128-Y130 VanDerWaalsContact OG1-N 3.14Å; T128-Y130 PolarHBondContact OG1-O 2.85Å; T128-Y130 VanDerWaalsContact OG1-O 3.07Å; Y130-H152 HydrophobicContact CD1-CB 3.78Å; Y130-H152 AromaticContact CD1-CD2 3.97Å; Y130-H152 AromaticContact CD1-CG 3.56Å; Y130-H152 AromaticContact CD1-ND1 3.62Å; Y130-H152 HydrophobicContact CG-CB 4.17Å
131	P	91.3	Very high	93.1	Very high	66 Å²	66	50 Å²	50	43%	0.429	24%	0.237	S	C	.	.	S	Bend	trans	-75.3	-27.2	-170.7	28.6	-35.5	0	0	0	113.7	L125 N126 R129	L125-P131 WeakPolarHBondContact CA-O 3.3Å; N126-P131 PolarHBondContact N-O 3.42Å; N126-P131 WeakPolarHBondContact OD1-CB 3.35Å; R129-P131 WeakPolarHBondContact O-CD 3.41Å
132	S	95.8	Very high	92.2	Very high	18 Å²	18	55.2 Å²	55.2	13%	0.126	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	98	-179	-144.5	0	0	0	0	110.6	H152 C153 A158	S132-H152 PolarHBondContact O-CD2 3.48Å; S132-C153 PolarHBondContact O-N 3.27Å; S132-A158 WeakPolarHBondContact OG-CB 3.45Å; S132-A158 PolarHBondContact OG-N 3.47Å
133	V	97.8	Very high	91.4	Very high	1 Å²	1	54 Å²	54	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.5	179.6	-176.9	0	0	0	0	110.5	L55 T123 V124 F150 F151	L55-V133 HydrophobicContact CD1-CG1 4.01Å; L55-V133 HydrophobicContact CD1-CG2 3.93Å; T123-V133 WeakPolarHBondContact CA-O 3.38Å; V124-V133 HydrophobicContact CB-CB 4.3Å; V124-V133 PolarHBondContact N-O 3.21Å; V124-V133 WeakPolarHBondContact O-CB 3.43Å; V124-V133 PolarHBondContact O-N 2.93Å; V133-F150 HydrophobicContact CG1-CB 4.25Å; V133-F150 HydrophobicContact CG1-CD1 3.96Å; V133-F151 CarbonylContact C-O 3.53Å; V133-F151 WeakPolarHBondContact CA-O 3.36Å
134	L	98.3	Very high	90.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.8	169.7	-171.9	72.3	0	0	0	109.4	L92 F150 F151 A158 V161 H162 I165	L92-L134 HydrophobicContact CD1-CD2 3.81Å; L134-F150 WeakPolarHBondContact O-CA 3.41Å; L134-F151 HydrophobicContact CB-CB 4.42Å; L134-F151 PolarHBondContact N-O 2.91Å; L134-F151 PolarHBondContact O-N 2.9Å; L134-A158 HydrophobicContact CB-CB 4.24Å; L134-V161 HydrophobicContact CD2-CB 4.14Å; L134-V161 HydrophobicContact CD2-CG1 3.65Å; L134-H162 HydrophobicContact CD1-CB 3.82Å; L134-I165 HydrophobicContact CD2-CD1 4.06Å
135	L	97.9	Very high	90.4	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.7	173.1	-173.2	164.3	0	0	0	108.4	V69 I73 C121 Q122 V124 I148 H149 F150	V69-L135 HydrophobicContact CG1-CD1 3.64Å; I73-L135 HydrophobicContact CD1-CD1 4.14Å; I73-L135 HydrophobicContact CG1-CD1 4.05Å; C121-L135 CarbonylContact C-O 3.56Å; C121-L135 WeakPolarHBondContact CA-O 3.14Å; Q122-L135 HydrophobicContact CB-CB 4.4Å; Q122-L135 PolarHBondContact N-O 2.71Å; Q122-L135 WeakPolarHBondContact O-CB 3.41Å; Q122-L135 PolarHBondContact O-N 2.8Å; V124-L135 HydrophobicContact CG2-CB 4.31Å; V124-L135 HydrophobicContact CG2-CD1 4.22Å; L135-I148 HydrophobicContact CD1-CG2 4.14Å; L135-I148 HydrophobicContact CD2-CG2 3.85Å; L135-I148 HydrophobicContact CG-CG2 3.76Å; L135-H149 WeakPolarHBondContact CA-O 3.2Å; L135-F150 HydrophobicContact CB-CD1 4.32Å; L135-F150 HydrophobicContact CB-CE1 4.24Å; L135-F150 HydrophobicContact CD1-CD1 4.41Å; L135-F150 HydrophobicContact CD1-CE1 3.56Å; L135-F150 HydrophobicContact CD1-CZ 3.83Å; L135-F150 HydrophobicContact CG-CD1 4.31Å; L135-F150 HydrophobicContact CG-CE1 3.91Å; L135-F150 HydrophobicContact CG-CZ 4.29Å
136	L	97.8	Very high	90.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.9	175.2	-166.7	72.2	0	0	0	109.5	V99 F113 V118 C121 H149 F151 I165	V99-L136 HydrophobicContact CG1-CD2 4.16Å; F113-L136 HydrophobicContact CD2-CD2 4.15Å; F113-L136 HydrophobicContact CE2-CD2 4.46Å; V118-L136 HydrophobicContact CG1-CD1 3.62Å; V118-L136 HydrophobicContact CG1-CG 4.38Å; V118-L136 HydrophobicContact CG2-CD1 4.49Å; C121-L136 HydrophobicContact CB-CD1 4.13Å; L136-H149 PolarHBondContact N-O 3.26Å; L136-H149 PolarHBondContact O-N 3.33Å; L136-F151 HydrophobicContact CB-CE2 4.11Å; L136-I165 HydrophobicContact CD1-CD1 4.38Å; L136-I165 HydrophobicContact CD1-CG2 4.26Å
137	M	96.1	Very high	90.3	Very high	23 Å²	23	56.5 Å²	56.5	11%	0.113	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.9	175.4	-171.8	-166.7	-67.9	0	0	110.3	M60 V69 H119 L120 P146 D147 I148	M60-M137 HydrophobicContact SD-CE 3.7Å; M60-M137 HydrophobicContact SD-SD 4.08Å; V69-M137 HydrophobicContact CG2-CE 3.41Å; V69-M137 VanDerWaalsContact CG2-CE 3.41Å; H119-M137 HydrophobicContact CB-CG 4.45Å; H119-M137 HydrophobicContact CB-SD 4.15Å; H119-M137 PolarHBondContact N-O 3.17Å; L120-M137 HydrophobicContact CB-CB 3.96Å; L120-M137 HydrophobicContact CD2-CE 4.25Å; L120-M137 PolarHBondContact N-O 2.95Å; L120-M137 PolarHBondContact O-N 3.02Å; M137-P146 HydrophobicContact CG-CB 4.06Å; M137-P146 HydrophobicContact SD-CB 4.32Å; M137-D147 CarbonylContact C-O 3.29Å; M137-D147 VanDerWaalsContact CA-O 3.28Å; M137-D147 WeakPolarHBondContact CA-O 3.38Å; M137-I148 HydrophobicContact CB-CG1 4.37Å; M137-I148 HydrophobicContact CE-CD1 4.1Å; M137-I148 HydrophobicContact CE-CG1 4.16Å; M137-I148 HydrophobicContact CG-CG1 4.04Å
138	C	94.4	Very high	90.7	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	146	-175.3	-61.6	0	0	0	0	111	F113 T117 P146 D147	F113-C138 HydrophobicContact CD1-CB 3.86Å; F113-C138 VanDerWaalsContact CD1-SG 3.54Å; F113-C138 HydrophobicContact CE1-CB 4.19Å; T117-C138 CarbonylContact O-C 3.55Å; T117-C138 VanDerWaalsContact O-CA 3.3Å; T117-C138 WeakPolarHBondContact O-CA 3.26Å; C138-P146 CarbonylContact O-C 3.4Å; C138-P146 VanDerWaalsContact O-CA 3.27Å; C138-P146 WeakPolarHBondContact O-CA 3.32Å; C138-P146 WeakPolarHBondContact O-CB 3.39Å; C138-D147 PolarHBondContact N-O 2.81Å; C138-D147 PolarHBondContact O-N 3.43Å
139	Q	91.6	Very high	91	Very high	57 Å²	57	50.8 Å²	50.8	27%	0.266	23%	0.234	S	C	.	.			trans	-144.5	110.3	165.7	-163.5	176.5	-19.9	0	0	110.9	T117 Q143 P146	T117-Q139 VanDerWaalsContact CB-O 3.25Å; T117-Q139 WeakPolarHBondContact CB-O 3.33Å; T117-Q139 PolarHBondContact O-N 2.94Å; Q139-Q143 HydrophobicContact CG-CB 4.02Å; Q139-Q143 PolarHBondContact NE2-O 3.36Å; Q139-P146 HydrophobicContact CB-CB 3.99Å; Q139-P146 HydrophobicContact CG-CB 4.38Å
140	D	84.6	Confident	91.4	Very high	49 Å²	49	43.1 Å²	43.1	26%	0.262	21%	0.205	S	C	.	.			trans	-68.9	152.4	169.8	-94.7	9.6	0	0	0	111	T117 D142 Q143	T117-D140 WeakPolarHBondContact CG2-OD1 3.48Å; T117-D140 PolarHBondContact OG1-OD1 2.91Å; D140-D142 PolarHBondContact O-N 3.25Å; D140-Q143 HydrophobicContact CB-CG 4.15Å; D140-Q143 WeakPolarHBondContact O-CB 3.19Å; D140-Q143 PolarHBondContact O-N 2.96Å
141	R	78.5	Confident	91.7	Very high	236 Å²	236	42.6 Å²	42.6	89%	0.891	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.7	-179.9	-64.6	-174.3	177.7	-156.8	-0.5	113.9
142	D	76.7	Confident	91.9	Very high	121 Å²	121	40.5 Å²	40.5	65%	0.647	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-6	178.9	-59.1	-34	0	0	0	113	D140	D140-D142 PolarHBondContact O-N 3.25Å
143	Q	80.8	Confident	91.8	Very high	42 Å²	42	39.9 Å²	39.9	20%	0.196	18%	0.183	C	C	.	.			trans	-95.1	134	179.3	-72.1	172.5	-32.2	0	0	111.6	Q139 D140 D147	Q139-Q143 HydrophobicContact CG-CB 4.02Å; Q139-Q143 PolarHBondContact NE2-O 3.36Å; D140-Q143 HydrophobicContact CB-CG 4.15Å; D140-Q143 WeakPolarHBondContact O-CB 3.19Å; D140-Q143 PolarHBondContact O-N 2.96Å; Q143-D147 PolarHBondContact NE2-OD2 3.41Å
144	H	83.9	Confident	91	Very high	172 Å²	172	42.9 Å²	42.9	80%	0.796	20%	0.199	S	C	*	.	S	Bend	trans	-82.9	-12.2	176	-63.8	-55.5	0	0	0	114.4
145	K	88.7	Confident	90.1	Very high	80 Å²	80	44 Å²	44	35%	0.348	21%	0.205	S	C	.	.	S	Bend	trans	-144.2	142.7	-176.6	-58.3	179.8	-169.4	177.1	0	108.2	V59 D61	V59-K145 HydrophobicContact CG1-CB 3.82Å; V59-K145 HydrophobicContact CG1-CD 4.25Å; D61-K145 HydrophobicContact CB-CD 4.2Å; D61-K145 IonicContact OD1-NZ 3.76Å; D61-K145 PolarHBondContact OD1-NZ 2.95Å; D61-K145 IonicContact OD2-NZ 2.75Å; D61-K145 PolarHBondContact OD2-NZ 2.94Å
146	P	92.1	Very high	89.6	Confident	25 Å²	25	44.4 Å²	44.4	16%	0.162	21%	0.207	C	C	.	.			trans	-72.8	152.8	175.1	28.9	-32.6	0	0	0	111.5	M60 M137 C138 Q139	M60-P146 HydrophobicContact CB-CG 3.93Å; M60-P146 HydrophobicContact CG-CG 3.97Å; M60-P146 PolarHBondContact N-O 2.84Å; M60-P146 HydrophobicContact SD-CB 4.46Å; M60-P146 HydrophobicContact SD-CG 3.64Å; M137-P146 HydrophobicContact CG-CB 4.06Å; M137-P146 HydrophobicContact SD-CB 4.32Å; C138-P146 CarbonylContact O-C 3.4Å; C138-P146 VanDerWaalsContact O-CA 3.27Å; C138-P146 WeakPolarHBondContact O-CA 3.32Å; C138-P146 WeakPolarHBondContact O-CB 3.39Å; Q139-P146 HydrophobicContact CB-CB 3.99Å; Q139-P146 HydrophobicContact CG-CB 4.38Å
147	D	92.8	Very high	89.3	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	145.9	169.9	-62.4	-46.2	0	0	0	110	T57 F58 M137 C138 Q143 P281	T57-D147 HydrophobicContact CG2-CB 4.38Å; F58-D147 CarbonylContact O-C 3.56Å; F58-D147 WeakPolarHBondContact O-CA 3.49Å; M137-D147 CarbonylContact C-O 3.29Å; M137-D147 VanDerWaalsContact CA-O 3.28Å; M137-D147 WeakPolarHBondContact CA-O 3.38Å; C138-D147 PolarHBondContact N-O 2.81Å; C138-D147 PolarHBondContact O-N 3.43Å; Q143-D147 PolarHBondContact NE2-OD2 3.41Å; D147-P281 WeakPolarHBondContact OD1-CB 3.16Å; D147-P281 WeakPolarHBondContact OD1-CG 3.39Å; D147-P281 VanDerWaalsContact OD2-CB 3.24Å; D147-P281 WeakPolarHBondContact OD2-CB 3.43Å; D147-P281 VanDerWaalsContact OD2-CG 3.28Å; D147-P281 WeakPolarHBondContact OD2-CG 3.27Å
148	I	95.7	Very high	89.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.3	170.2	-64.3	172	0	0	0	108.3	T57 F58 M60 A72 L135 M137 F150	T57-I148 CarbonylContact C-O 3.59Å; T57-I148 VanDerWaalsContact CA-O 3.3Å; T57-I148 WeakPolarHBondContact CA-O 3.14Å; F58-I148 PolarHBondContact N-O 3.18Å; F58-I148 PolarHBondContact O-N 2.87Å; M60-I148 HydrophobicContact CE-CD1 4.22Å; M60-I148 HydrophobicContact CG-CD1 3.66Å; M60-I148 HydrophobicContact CG-CG1 3.94Å; M60-I148 HydrophobicContact SD-CD1 3.67Å; M60-I148 HydrophobicContact SD-CG1 4.09Å; A72-I148 HydrophobicContact CB-CB 4.45Å; A72-I148 HydrophobicContact CB-CD1 3.58Å; A72-I148 HydrophobicContact CB-CG2 4.21Å; L135-I148 HydrophobicContact CD1-CG2 4.14Å; L135-I148 HydrophobicContact CD2-CG2 3.85Å; L135-I148 HydrophobicContact CG-CG2 3.76Å; M137-I148 HydrophobicContact CB-CG1 4.37Å; M137-I148 HydrophobicContact CE-CD1 4.1Å; M137-I148 HydrophobicContact CE-CG1 4.16Å; M137-I148 HydrophobicContact CG-CG1 4.04Å; I148-F150 HydrophobicContact CG2-CD2 4.16Å; I148-F150 HydrophobicContact CG2-CE2 3.6Å; I148-F150 HydrophobicContact CG2-CZ 3.9Å
149	H	96.6	Very high	89.3	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.6	176.6	-48.8	-79.4	0	0	0	110.4	T57 F113 L135 L136 F151	T57-H149 VanDerWaalsContact CG2-ND1 3.32Å; T57-H149 WeakPolarHBondContact CG2-ND1 3.43Å; T57-H149 PolarHBondContact OG1-ND1 2.92Å; F113-H149 AromaticContact CE1-NE2 3.51Å; F113-H149 AromaticContact CZ-CD2 3.99Å; F113-H149 AromaticContact CZ-CE1 3.9Å; F113-H149 AromaticContact CZ-NE2 3.56Å; L135-H149 WeakPolarHBondContact CA-O 3.2Å; L136-H149 PolarHBondContact N-O 3.26Å; L136-H149 PolarHBondContact O-N 3.33Å; H149-F151 HydrophobicContact CB-CD2 4.47Å; H149-F151 HydrophobicContact CB-CE2 3.51Å; H149-F151 HydrophobicContact CB-CZ 3.62Å
150	F	97.4	Very high	89.5	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.3	176.3	-69.6	-85.8	0	0	0	111.3	L55 S56 F58 A72 I73 L76 V124 V133 L134 L135 I148	L55-F150 HydrophobicContact CB-CB 4.14Å; L55-F150 PolarHBondContact N-O 3.39Å; S56-F150 PolarHBondContact O-N 3.43Å; F58-F150 HydrophobicContact CD2-CD2 4.42Å; F58-F150 AromaticContact CD2-CE2 3.88Å; F58-F150 HydrophobicContact CD2-CE2 3.88Å; F58-F150 HydrophobicContact CE2-CD2 4.28Å; F58-F150 AromaticContact CE2-CE2 3.85Å; F58-F150 HydrophobicContact CE2-CE2 3.85Å; A72-F150 HydrophobicContact CB-CE2 4.05Å; A72-F150 HydrophobicContact CB-CZ 4Å; I73-F150 HydrophobicContact CG1-CE1 3.99Å; I73-F150 HydrophobicContact CG1-CZ 4.03Å; L76-F150 HydrophobicContact CB-CE2 4.47Å; L76-F150 HydrophobicContact CB-CZ 4.43Å; L76-F150 HydrophobicContact CD1-CB 4.2Å; L76-F150 HydrophobicContact CD1-CD2 4.18Å; L76-F150 HydrophobicContact CD1-CG 4.12Å; L76-F150 HydrophobicContact CD2-CB 4.36Å; L76-F150 HydrophobicContact CD2-CD1 3.67Å; L76-F150 HydrophobicContact CD2-CE1 3.95Å; L76-F150 HydrophobicContact CD2-CG 3.95Å; V124-F150 HydrophobicContact CG2-CE1 4.48Å; V133-F150 HydrophobicContact CG1-CB 4.25Å; V133-F150 HydrophobicContact CG1-CD1 3.96Å; L134-F150 WeakPolarHBondContact O-CA 3.41Å; L135-F150 HydrophobicContact CB-CD1 4.32Å; L135-F150 HydrophobicContact CB-CE1 4.24Å; L135-F150 HydrophobicContact CD1-CD1 4.41Å; L135-F150 HydrophobicContact CD1-CE1 3.56Å; L135-F150 HydrophobicContact CD1-CZ 3.83Å; L135-F150 HydrophobicContact CG-CD1 4.31Å; L135-F150 HydrophobicContact CG-CE1 3.91Å; L135-F150 HydrophobicContact CG-CZ 4.29Å; I148-F150 HydrophobicContact CG2-CD2 4.16Å; I148-F150 HydrophobicContact CG2-CE2 3.6Å; I148-F150 HydrophobicContact CG2-CZ 3.9Å
151	F	97.3	Very high	90.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	123.2	179.6	-49.5	-89.3	0	0	0	110.7	V52 E53 H54 M90 L92 L101 V133 L134 L136 H149 M285	V52-F151 HydrophobicContact CB-CB 4.07Å; V52-F151 HydrophobicContact CG2-CB 4.15Å; V52-F151 HydrophobicContact CG2-CD1 3.88Å; V52-F151 HydrophobicContact CG2-CG 4.31Å; E53-F151 CarbonylContact O-C 3.56Å; E53-F151 VanDerWaalsContact O-CA 3.32Å; E53-F151 WeakPolarHBondContact O-CA 3.36Å; H54-F151 HydrophobicContact CB-CD1 3.83Å; H54-F151 HydrophobicContact CB-CE1 3.97Å; H54-F151 AromaticContact CD2-CE1 3.88Å; M90-F151 HydrophobicContact SD-CD1 4.24Å; M90-F151 HydrophobicContact SD-CE1 3.91Å; L92-F151 HydrophobicContact CD1-CD2 4.39Å; L101-F151 HydrophobicContact CD1-CE1 3.76Å; L101-F151 HydrophobicContact CD1-CZ 3.86Å; L101-F151 HydrophobicContact CD2-CE1 3.76Å; L101-F151 HydrophobicContact CD2-CZ 3.97Å; L101-F151 HydrophobicContact CG-CE1 4.44Å; V133-F151 CarbonylContact C-O 3.53Å; V133-F151 WeakPolarHBondContact CA-O 3.36Å; L134-F151 HydrophobicContact CB-CB 4.42Å; L134-F151 PolarHBondContact N-O 2.91Å; L134-F151 PolarHBondContact O-N 2.9Å; L136-F151 HydrophobicContact CB-CE2 4.11Å; H149-F151 HydrophobicContact CB-CD2 4.47Å; H149-F151 HydrophobicContact CB-CE2 3.51Å; H149-F151 HydrophobicContact CB-CZ 3.62Å; F151-M285 HydrophobicContact CE1-SD 4.46Å
152	H	96.1	Very high	91	Very high	22 Å²	22	36.9 Å²	36.9	10%	0.102	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134.2	166.8	168.7	-125.4	0	0	0	109.5	V52 E53 L55 Y130 S132	V52-H152 CarbonylContact C-O 3.58Å; V52-H152 WeakPolarHBondContact CA-O 3.29Å; E53-H152 HydrophobicContact CB-CB 4.22Å; E53-H152 PolarHBondContact N-O 3.47Å; E53-H152 PolarHBondContact O-N 3.24Å; E53-H152 IonicContact OE2-CE1 2.73Å; E53-H152 IonicContact OE2-CG 2.88Å; E53-H152 IonicContact OE2-ND1 3.22Å; E53-H152 PolarHBondContact OE2-ND1 3.44Å; L55-H152 HydrophobicContact CD1-CB 4.21Å; L55-H152 HydrophobicContact CD2-CB 3.76Å; L55-H152 HydrophobicContact CG-CB 4.16Å; Y130-H152 HydrophobicContact CD1-CB 3.78Å; Y130-H152 AromaticContact CD1-CD2 3.97Å; Y130-H152 AromaticContact CD1-CG 3.56Å; Y130-H152 AromaticContact CD1-ND1 3.62Å; Y130-H152 HydrophobicContact CG-CB 4.17Å; S132-H152 PolarHBondContact O-CD2 3.48Å
153	C	92.9	Very high	91.9	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.027	16%	0.163	C	C	.	.			trans	-106	101.9	176.6	-56.7	0	0	0	0	107.7	S132 V156 A158	S132-C153 PolarHBondContact O-N 3.27Å; C153-V156 CarbonylContact C-O 3.57Å; C153-V156 HydrophobicContact CB-CG2 4.08Å; C153-V156 WeakPolarHBondContact CB-O 3.31Å; C153-A158 HydrophobicContact CB-CB 4.19Å
154	D	81.1	Confident	92.7	Very high	64 Å²	64	30.9 Å²	30.9	34%	0.342	15%	0.154	S	C	.	.	S	Bend	trans	-86.7	-37.1	-173.6	73.7	-51.5	0	0	0	112.6	H51	H51-D154 IonicContact CE1-OD1 3.03Å; H51-D154 IonicContact CG-OD1 2.77Å; H51-D154 IonicContact ND1-OD1 3.4Å; H51-D154 PolarHBondContact ND1-OD1 3.49Å; H51-D154 IonicContact ND1-OD2 3.55Å
155	Q	79.5	Confident	93.3	Very high	25 Å²	25	22.7 Å²	22.7	12%	0.117	12%	0.116	C	C	.	.	S	Bend	trans	-95.4	-15.1	-176	-77.4	154.2	51.2	0	0	113.6	Y37 S40 N41 H51	Y37-Q155 HydrophobicContact CD1-CG 3.9Å; Y37-Q155 HydrophobicContact CE1-CG 3.9Å; S40-Q155 PolarHBondContact OG-OE1 3.2Å; N41-Q155 PolarHBondContact ND2-OE1 3.42Å; H51-Q155 VanDerWaalsContact CB-OE1 3.24Å; H51-Q155 PolarHBondContact CE1-NE2 2.93Å; H51-Q155 VanDerWaalsContact CG-NE2 3.29Å; H51-Q155 PolarHBondContact ND1-NE2 2.88Å
156	V	87.6	Confident	93.6	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.042	12%	0.122	C	C	.	.	S	Bend	trans	-141.9	153.9	-176.5	-56.2	0	0	0	0	110.4	N41 Y50 C153 A158 V161 M190	N41-V156 WeakPolarHBondContact OD1-CG1 3.31Å; Y50-V156 HydrophobicContact CD1-CG1 4.22Å; Y50-V156 HydrophobicContact CD1-CG2 4.03Å; C153-V156 CarbonylContact C-O 3.57Å; C153-V156 HydrophobicContact CB-CG2 4.08Å; C153-V156 WeakPolarHBondContact CB-O 3.31Å; V156-A158 PolarHBondContact O-N 2.86Å; V156-V161 HydrophobicContact CG2-CG2 3.61Å; V156-M190 HydrophobicContact CB-SD 4.36Å; V156-M190 HydrophobicContact CG1-CE 3.61Å; V156-M190 HydrophobicContact CG1-SD 3.44Å; V156-M190 WeakPolarHBondContact CG1-SD 3.14Å
157	E	90.7	Very high	93.8	Very high	66 Å²	66	22.5 Å²	22.5	31%	0.308	12%	0.118	S	C	.	.			trans	-66.5	130.6	172.1	-66.1	159.6	174.4	0	0	109.5	E159 M160 K189 Q193	E157-E159 HydrophobicContact CB-CB 4.47Å; E157-E159 PolarHBondContact O-N 3.14Å; E157-E159 VanDerWaalsContact O-N 3.1Å; E157-M160 HydrophobicContact CB-CB 4.42Å; E157-M160 WeakPolarHBondContact O-CA 3.3Å; E157-M160 WeakPolarHBondContact O-CB 3.42Å; E157-M160 PolarHBondContact O-N 2.72Å; E157-K189 IonicContact OE2-NZ 2.72Å; E157-K189 PolarHBondContact OE2-NZ 2.8Å; E157-Q193 PolarHBondContact OE1-NE2 2.99Å
158	A	95.8	Very high	93.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.3	-28	175.7	0	0	0	0	0	112.2	T123 S132 L134 C153 V156 M160 V161 H162	T123-A158 HydrophobicContact CG2-CB 4.09Å; S132-A158 WeakPolarHBondContact OG-CB 3.45Å; S132-A158 PolarHBondContact OG-N 3.47Å; L134-A158 HydrophobicContact CB-CB 4.24Å; C153-A158 HydrophobicContact CB-CB 4.19Å; V156-A158 PolarHBondContact O-N 2.86Å; A158-M160 VanDerWaalsContact C-N 3.27Å; A158-M160 PolarHBondContact O-N 2.84Å; A158-V161 PolarHBondContact O-N 2.82Å; A158-H162 VanDerWaalsContact O-CB 3.25Å; A158-H162 WeakPolarHBondContact O-CB 3.2Å; A158-H162 PolarHBondContact O-N 3.42Å
159	E	96.1	Very high	93.8	Very high	88 Å²	88	22.7 Å²	22.7	41%	0.411	12%	0.12	S	C	.	.	H	α-helix	trans	-60.3	-33.1	172.4	-58.6	171.7	131.4	0	0	112.9	T123 L125 E157 A163	T123-E159 HydrophobicContact CG2-CB 4.39Å; T123-E159 HydrophobicContact CG2-CG 3.96Å; L125-E159 HydrophobicContact CD1-CG 4.13Å; E157-E159 HydrophobicContact CB-CB 4.47Å; E157-E159 PolarHBondContact O-N 3.14Å; E157-E159 VanDerWaalsContact O-N 3.1Å; E159-A163 WeakPolarHBondContact O-CB 3.37Å; E159-A163 PolarHBondContact O-N 2.92Å
160	M	94.8	Very high	93.6	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-69.6	-44.2	177.6	-166.9	-170	-55.4	0	0	111.2	Y50 E157 A158 D164 N186 K189 M190	Y50-M160 HydrophobicContact CE1-SD 4.31Å; E157-M160 HydrophobicContact CB-CB 4.42Å; E157-M160 WeakPolarHBondContact O-CA 3.3Å; E157-M160 WeakPolarHBondContact O-CB 3.42Å; E157-M160 PolarHBondContact O-N 2.72Å; A158-M160 VanDerWaalsContact C-N 3.27Å; A158-M160 PolarHBondContact O-N 2.84Å; M160-D164 PolarHBondContact O-N 3Å; M160-N186 HydrophobicContact CG-CB 3.86Å; M160-N186 WeakPolarHBondContact CG-ND2 3.39Å; M160-N186 VanDerWaalsContact CG-OD1 3.27Å; M160-N186 WeakPolarHBondContact CG-OD1 3.3Å; M160-N186 PolarHBondContact O-ND2 3.33Å; M160-N186 HydrophobicContact SD-CB 4.02Å; M160-K189 HydrophobicContact CE-CB 3.81Å; M160-K189 HydrophobicContact CE-CD 3.97Å; M160-M190 HydrophobicContact CE-CG 4.01Å; M160-M190 HydrophobicContact CE-SD 3.74Å; M160-M190 HydrophobicContact SD-CG 3.62Å; M160-M190 HydrophobicContact SD-SD 3.7Å; M160-M190 VanDerWaalsContact SD-SD 3.7Å
161	V	96.4	Very high	93.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-70.2	-42.1	178	-169	0	0	0	0	110.4	Y50 L92 L134 V156 A158 D164 I165	Y50-V161 HydrophobicContact CD1-CG2 3.94Å; Y50-V161 HydrophobicContact CD2-CB 4.4Å; Y50-V161 HydrophobicContact CD2-CG1 3.8Å; Y50-V161 HydrophobicContact CD2-CG2 4.03Å; Y50-V161 HydrophobicContact CE1-CG2 4.34Å; Y50-V161 HydrophobicContact CE2-CG1 4.16Å; Y50-V161 HydrophobicContact CE2-CG2 4.43Å; Y50-V161 HydrophobicContact CG-CG1 4.31Å; Y50-V161 HydrophobicContact CG-CG2 3.75Å; L92-V161 HydrophobicContact CD1-CG1 4.38Å; L92-V161 HydrophobicContact CD2-CG1 3.96Å; L134-V161 HydrophobicContact CD2-CB 4.14Å; L134-V161 HydrophobicContact CD2-CG1 3.65Å; V156-V161 HydrophobicContact CG2-CG2 3.61Å; A158-V161 PolarHBondContact O-N 2.82Å; V161-D164 PolarHBondContact O-N 3.05Å; V161-I165 HydrophobicContact CG1-CD1 4Å; V161-I165 WeakPolarHBondContact O-CG1 3.29Å; V161-I165 PolarHBondContact O-N 3.09Å
162	H	97.8	Very high	93	Very high	52 Å²	52	28.5 Å²	28.5	24%	0.241	16%	0.156	C	C	.	.	H	α-helix	trans	-56.2	-51.4	172.7	166.9	-92.5	0	0	0	112.2	C121 T123 L134 A158 D164 I165 D166	C121-H162 PolarHBondContact O-NE2 2.72Å; T123-H162 HydrophobicContact CG2-CB 3.79Å; L134-H162 HydrophobicContact CD1-CB 3.82Å; A158-H162 VanDerWaalsContact O-CB 3.25Å; A158-H162 WeakPolarHBondContact O-CB 3.2Å; A158-H162 PolarHBondContact O-N 3.42Å; H162-D164 VanDerWaalsContact C-N 3.26Å; H162-D164 PolarHBondContact O-N 2.79Å; H162-I165 PolarHBondContact O-N 3.45Å; H162-D166 WeakPolarHBondContact O-CB 3.41Å; H162-D166 PolarHBondContact O-N 2.77Å
163	A	96.6	Very high	92.6	Very high	37 Å²	37	33.2 Å²	33.2	31%	0.306	18%	0.176	S	C	.	.	H	α-helix	trans	-61	-37.1	-179.4	0	0	0	0	0	112.2	E159 S167 T182	E159-A163 WeakPolarHBondContact O-CB 3.37Å; E159-A163 PolarHBondContact O-N 2.92Å; A163-S167 VanDerWaalsContact O-CB 3.29Å; A163-S167 WeakPolarHBondContact O-CB 3.41Å; A163-S167 PolarHBondContact O-N 2.86Å; A163-S167 PolarHBondContact O-OG 2.89Å; A163-S167 VanDerWaalsContact O-OG 3.05Å; A163-T182 HydrophobicContact CB-CG2 4.04Å
164	D	96.6	Very high	92.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-51.1	176	-173.2	26.8	0	0	0	111.8	S48 Y50 M160 V161 H162 S167 A168 R179 L183	S48-D164 VanDerWaalsContact CB-OD2 3.31Å; S48-D164 WeakPolarHBondContact CB-OD2 3.42Å; S48-D164 PolarHBondContact OG-OD2 3.44Å; Y50-D164 WeakPolarHBondContact CE2-OD2 3.31Å; Y50-D164 PolarHBondContact OH-OD2 2.67Å; M160-D164 PolarHBondContact O-N 3Å; V161-D164 PolarHBondContact O-N 3.05Å; H162-D164 VanDerWaalsContact C-N 3.26Å; H162-D164 PolarHBondContact O-N 2.79Å; D164-S167 PolarHBondContact O-N 3.06Å; D164-S167 PolarHBondContact O-OG 3.44Å; D164-A168 PolarHBondContact O-N 2.87Å; D164-R179 VanDerWaalsContact CG-NH2 3.3Å; D164-R179 IonicContact OD1-CZ 3.18Å; D164-R179 VanDerWaalsContact OD1-CZ 3.22Å; D164-R179 IonicContact OD1-NE 2.72Å; D164-R179 PolarHBondContact OD1-NE 2.94Å; D164-R179 IonicContact OD1-NH2 2.7Å; D164-R179 PolarHBondContact OD1-NH2 2.95Å; D164-R179 IonicContact OD2-NH2 3.51Å; D164-R179 PolarHBondContact OD2-NH2 3.35Å; D164-L183 WeakPolarHBondContact OD1-CD2 3.31Å
165	I	96.9	Very high	91.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-46.6	176.8	-65	170.3	0	0	0	111.3	L92 V94 V99 C121 L134 L136 V161 H162 S167 A168 L169	L92-I165 HydrophobicContact CD2-CD1 4.29Å; V94-I165 HydrophobicContact CG1-CG1 4.06Å; V94-I165 HydrophobicContact CG2-CD1 4.27Å; V94-I165 HydrophobicContact CG2-CG1 3.68Å; V99-I165 HydrophobicContact CG2-CD1 4.27Å; V99-I165 HydrophobicContact CG2-CG1 4.1Å; V99-I165 HydrophobicContact CG2-CG2 4.18Å; C121-I165 HydrophobicContact CB-CB 4.5Å; C121-I165 HydrophobicContact CB-CG2 3.9Å; L134-I165 HydrophobicContact CD2-CD1 4.06Å; L136-I165 HydrophobicContact CD1-CD1 4.38Å; L136-I165 HydrophobicContact CD1-CG2 4.26Å; V161-I165 HydrophobicContact CG1-CD1 4Å; V161-I165 WeakPolarHBondContact O-CG1 3.29Å; V161-I165 PolarHBondContact O-N 3.09Å; H162-I165 PolarHBondContact O-N 3.45Å; I165-S167 VanDerWaalsContact C-N 3.35Å; I165-S167 PolarHBondContact O-N 2.93Å; I165-A168 WeakPolarHBondContact O-CB 3.46Å; I165-A168 PolarHBondContact O-N 3.34Å; I165-A168 VanDerWaalsContact O-N 3.14Å; I165-L169 HydrophobicContact CG2-CD1 3.96Å; I165-L169 HydrophobicContact CG2-CG 4.37Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.47Å; I165-L169 PolarHBondContact O-N 2.84Å
166	D	96	Very high	91.6	Very high	90 Å²	90	43.7 Å²	43.7	48%	0.481	24%	0.239	S	C	.	.	H	α-helix	trans	-63.5	-40.3	179.3	-174.9	58.5	0	0	0	111.7	H162 A168 L169 G170	H162-D166 WeakPolarHBondContact O-CB 3.41Å; H162-D166 PolarHBondContact O-N 2.77Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 PolarHBondContact O-N 3.43Å; D166-L169 PolarHBondContact O-N 2.84Å; D166-G170 PolarHBondContact O-N 3.16Å
167	S	95.3	Very high	91.3	Very high	11 Å²	11	51.5 Å²	51.5	8%	0.077	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-32.7	173.6	70	0	0	0	0	113.1	A163 D164 I165 G170 D171 R179 T182	A163-S167 VanDerWaalsContact O-CB 3.29Å; A163-S167 WeakPolarHBondContact O-CB 3.41Å; A163-S167 PolarHBondContact O-N 2.86Å; A163-S167 PolarHBondContact O-OG 2.89Å; A163-S167 VanDerWaalsContact O-OG 3.05Å; D164-S167 PolarHBondContact O-N 3.06Å; D164-S167 PolarHBondContact O-OG 3.44Å; I165-S167 VanDerWaalsContact C-N 3.35Å; I165-S167 PolarHBondContact O-N 2.93Å; S167-G170 PolarHBondContact O-N 3.39Å; S167-D171 WeakPolarHBondContact O-CB 3.5Å; S167-D171 PolarHBondContact O-N 2.91Å; S167-R179 WeakPolarHBondContact OG-CA 3.43Å; S167-R179 WeakPolarHBondContact OG-CG 3.47Å; S167-T182 VanDerWaalsContact CB-OG1 3.31Å; S167-T182 WeakPolarHBondContact CB-OG1 3.13Å; S167-T182 PolarHBondContact OG-OG1 2.81Å
168	A	94.4	Very high	91.2	Very high	3 Å²	3	53.3 Å²	53.3	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-65.4	-43.7	171	0	0	0	0	0	112.1	V94 L115 D164 I165 D166 G170 N172	V94-A168 HydrophobicContact CG1-CB 4.26Å; L115-A168 HydrophobicContact CD1-CB 3.8Å; L115-A168 HydrophobicContact CD2-CB 4.09Å; D164-A168 PolarHBondContact O-N 2.87Å; I165-A168 WeakPolarHBondContact O-CB 3.46Å; I165-A168 PolarHBondContact O-N 3.34Å; I165-A168 VanDerWaalsContact O-N 3.14Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 PolarHBondContact O-N 3.43Å; A168-G170 VanDerWaalsContact C-N 3.34Å; A168-N172 WeakPolarHBondContact O-CB 3.44Å; A168-N172 PolarHBondContact O-N 2.9Å
169	L	94	Very high	91	Very high	5 Å²	5	54 Å²	54	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-38.7	174.6	-65.7	168.7	0	0	0	111.4	L115 V118 I165 D166 K173	L115-L169 HydrophobicContact CB-CD2 4.03Å; L115-L169 HydrophobicContact CD2-CD2 3.78Å; L115-L169 HydrophobicContact CD2-CG 4.21Å; L115-L169 HydrophobicContact CG-CD2 4.48Å; L115-L169 VanDerWaalsContact O-CD2 3.29Å; L115-L169 WeakPolarHBondContact O-CD2 3.24Å; V118-L169 HydrophobicContact CB-CD2 3.95Å; V118-L169 HydrophobicContact CG1-CD1 3.87Å; V118-L169 HydrophobicContact CG1-CD2 4.14Å; I165-L169 HydrophobicContact CG2-CD1 3.96Å; I165-L169 HydrophobicContact CG2-CG 4.37Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.47Å; I165-L169 PolarHBondContact O-N 2.84Å; D166-L169 PolarHBondContact O-N 2.84Å; L169-K173 VanDerWaalsContact O-CB 3.22Å; L169-K173 WeakPolarHBondContact O-CB 3.44Å; L169-K173 WeakPolarHBondContact O-CD 3.31Å; L169-K173 WeakPolarHBondContact O-CG 3.36Å; L169-K173 PolarHBondContact O-N 2.86Å
170	G	92.3	Very high	90.6	Very high	19 Å²	19	54.1 Å²	54.1	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-63.4	-46.8	176.5	0	0	0	0	0	112.5	D166 S167 A168 H174	D166-G170 PolarHBondContact O-N 3.16Å; S167-G170 PolarHBondContact O-N 3.39Å; A168-G170 VanDerWaalsContact C-N 3.34Å; G170-H174 WeakPolarHBondContact O-CB 3.46Å; G170-H174 PolarHBondContact O-N 3.22Å; G170-H174 PolarHBondContact O-ND1 3.26Å
171	D	92	Very high	90.4	Very high	30 Å²	30	60.1 Å²	60.1	16%	0.16	32%	0.316	C	S	.	.	H	α-helix	trans	-68.4	-44.7	177.6	-72.8	-6.8	0	0	0	111.2	S167 K173 H174 G175 K176 K177 M178 R179	S167-D171 WeakPolarHBondContact O-CB 3.5Å; S167-D171 PolarHBondContact O-N 2.91Å; D171-K173 PolarHBondContact O-N 2.88Å; D171-H174 PolarHBondContact O-N 3.05Å; D171-G175 WeakPolarHBondContact O-CA 3.32Å; D171-G175 PolarHBondContact O-N 3.03Å; D171-K176 WeakPolarHBondContact CB-O 3.48Å; D171-K176 VanDerWaalsContact OD1-CB 3.26Å; D171-K176 WeakPolarHBondContact OD1-CB 3.49Å; D171-K177 PolarHBondContact OD1-N 3.03Å; D171-K177 VanDerWaalsContact OD2-CA 3.27Å; D171-K177 WeakPolarHBondContact OD2-CA 3.21Å; D171-M178 VanDerWaalsContact CG-N 3.31Å; D171-M178 PolarHBondContact OD1-N 3.43Å; D171-M178 PolarHBondContact OD2-N 3.35Å; D171-R179 WeakPolarHBondContact OD2-CB 3.22Å; D171-R179 PolarHBondContact OD2-N 3.48Å
172	N	89.7	Confident	90.2	Very high	74 Å²	74	61.4 Å²	61.4	40%	0.396	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-37.8	175.8	-179.3	48.4	0	0	0	113.2	L115 A168	L115-N172 HydrophobicContact CB-CB 4.35Å; L115-N172 WeakPolarHBondContact CB-ND2 3.14Å; L115-N172 HydrophobicContact CD1-CB 4.2Å; L115-N172 PolarHBondContact O-ND2 3.2Å; A168-N172 WeakPolarHBondContact O-CB 3.44Å; A168-N172 PolarHBondContact O-N 2.9Å
173	K	88.2	Confident	89.9	Confident	121 Å²	121	59.2 Å²	59.2	53%	0.526	31%	0.314	S	S	.	.	H	α-helix	trans	-82	-25.7	-179.4	-70.8	168.3	-174.7	171	0	114	L169 D171	L169-K173 VanDerWaalsContact O-CB 3.22Å; L169-K173 WeakPolarHBondContact O-CB 3.44Å; L169-K173 WeakPolarHBondContact O-CD 3.31Å; L169-K173 WeakPolarHBondContact O-CG 3.36Å; L169-K173 PolarHBondContact O-N 2.86Å; D171-K173 PolarHBondContact O-N 2.88Å
174	H	84.6	Confident	89.5	Confident	126 Å²	126	62.9 Å²	62.9	58%	0.583	32%	0.323	S	S	*	.	H	α-helix	trans	-129.7	1	-168.5	-48.7	96.6	0	0	0	115.4	G170 D171 K176	G170-H174 WeakPolarHBondContact O-CB 3.46Å; G170-H174 PolarHBondContact O-N 3.22Å; G170-H174 PolarHBondContact O-ND1 3.26Å; D171-H174 PolarHBondContact O-N 3.05Å; H174-K176 HydrophobicContact CB-CD 4.23Å; H174-K176 HydrophobicContact CB-CG 4.08Å; H174-K176 PolarHBondContact O-N 2.92Å
175	G	75	Confident	89.2	Confident	71 Å²	71	67.2 Å²	67.2	73%	0.732	35%	0.349	S	S	*	.			trans	66.2	16.8	-179.2	0	0	0	0	0	114.6	D171	D171-G175 WeakPolarHBondContact O-CA 3.32Å; D171-G175 PolarHBondContact O-N 3.03Å
176	K	72.9	Confident	88.9	Confident	115 Å²	115	67.4 Å²	67.4	50%	0.5	35%	0.35	S	S	.	.			trans	-74.7	174.6	173.9	-63.2	178.2	-176.5	176.3	0	109.9	D171 H174 M178	D171-K176 WeakPolarHBondContact CB-O 3.48Å; D171-K176 VanDerWaalsContact OD1-CB 3.26Å; D171-K176 WeakPolarHBondContact OD1-CB 3.49Å; H174-K176 HydrophobicContact CB-CD 4.23Å; H174-K176 HydrophobicContact CB-CG 4.08Å; H174-K176 PolarHBondContact O-N 2.92Å; K176-M178 HydrophobicContact CB-CG 4.1Å; K176-M178 HydrophobicContact CD-CG 4.37Å; K176-M178 HydrophobicContact CD-SD 3.89Å
177	K	81.5	Confident	88.4	Confident	172 Å²	172	67.5 Å²	67.5	75%	0.748	35%	0.348	S	S	*	.			trans	-129.4	35	174.7	-64.2	-163.9	174.8	-163.5	0	112.2	D171 R179	D171-K177 PolarHBondContact OD1-N 3.03Å; D171-K177 VanDerWaalsContact OD2-CA 3.27Å; D171-K177 WeakPolarHBondContact OD2-CA 3.21Å; K177-R179 VanDerWaalsContact C-N 3.26Å; K177-R179 PolarHBondContact O-N 3.15Å
178	M	87.8	Confident	87.9	Confident	103 Å²	103	70 Å²	70	51%	0.507	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-30.5	-176.9	-63.2	-171.9	65.3	0	0	111.9	D171 K176 L180 E181 T182	D171-M178 VanDerWaalsContact CG-N 3.31Å; D171-M178 PolarHBondContact OD1-N 3.43Å; D171-M178 PolarHBondContact OD2-N 3.35Å; K176-M178 HydrophobicContact CB-CG 4.1Å; K176-M178 HydrophobicContact CD-CG 4.37Å; K176-M178 HydrophobicContact CD-SD 3.89Å; M178-L180 VanDerWaalsContact C-N 3.27Å; M178-L180 PolarHBondContact O-N 2.89Å; M178-E181 WeakPolarHBondContact O-CA 3.47Å; M178-E181 WeakPolarHBondContact O-CB 3.45Å; M178-E181 PolarHBondContact O-N 3.36Å; M178-T182 PolarHBondContact O-N 2.97Å; M178-T182 VanDerWaalsContact O-N 3.09Å; M178-T182 PolarHBondContact O-OG1 3.2Å
179	R	91.9	Very high	87.4	Confident	14 Å²	14	73.7 Å²	73.7	5%	0.053	37%	0.374	C	S	.	.	H	α-helix	trans	-60	-35.3	-178	-174.3	167.1	-166.7	-125	-16.6	113.4	E46 S48 V94 T95 D164 S167 D171 K177 E181 T182 L183	E46-R179 PolarHBondContact O-NH1 2.62Å; S48-R179 PolarHBondContact OG-NH2 3.04Å; V94-R179 PolarHBondContact O-NH1 3.38Å; V94-R179 PolarHBondContact O-NH2 3.43Å; T95-R179 PolarHBondContact O-NH1 3.48Å; D164-R179 VanDerWaalsContact CG-NH2 3.3Å; D164-R179 IonicContact OD1-CZ 3.18Å; D164-R179 VanDerWaalsContact OD1-CZ 3.22Å; D164-R179 IonicContact OD1-NE 2.72Å; D164-R179 PolarHBondContact OD1-NE 2.94Å; D164-R179 IonicContact OD1-NH2 2.7Å; D164-R179 PolarHBondContact OD1-NH2 2.95Å; D164-R179 IonicContact OD2-NH2 3.51Å; D164-R179 PolarHBondContact OD2-NH2 3.35Å; S167-R179 WeakPolarHBondContact OG-CA 3.43Å; S167-R179 WeakPolarHBondContact OG-CG 3.47Å; D171-R179 WeakPolarHBondContact OD2-CB 3.22Å; D171-R179 PolarHBondContact OD2-N 3.48Å; K177-R179 VanDerWaalsContact C-N 3.26Å; K177-R179 PolarHBondContact O-N 3.15Å; R179-E181 PolarHBondContact O-N 3.49Å; R179-T182 PolarHBondContact O-N 3.1Å; R179-L183 HydrophobicContact CG-CD1 4.13Å; R179-L183 HydrophobicContact CG-CG 4.08Å; R179-L183 WeakPolarHBondContact O-CB 3.18Å; R179-L183 VanDerWaalsContact O-CG 3.32Å; R179-L183 WeakPolarHBondContact O-CG 3.49Å; R179-L183 PolarHBondContact O-N 2.7Å
180	L	88.9	Confident	86.6	Confident	92 Å²	92	74.6 Å²	74.6	48%	0.482	38%	0.378	S	S	.	.	H	α-helix	trans	-65.6	-20.4	176.7	-175.7	60.2	0	0	0	112.6	M178 K184	M178-L180 VanDerWaalsContact C-N 3.27Å; M178-L180 PolarHBondContact O-N 2.89Å; L180-K184 VanDerWaalsContact O-CD 3.25Å; L180-K184 WeakPolarHBondContact O-CD 3.37Å; L180-K184 VanDerWaalsContact O-CE 3.22Å; L180-K184 WeakPolarHBondContact O-CE 3.46Å; L180-K184 VanDerWaalsContact O-CG 3.28Å; L180-K184 WeakPolarHBondContact O-CG 3.18Å
181	E	90.1	Very high	85.7	Confident	127 Å²	127	78.2 Å²	78.2	59%	0.593	39%	0.389	S	S	*	.	H	α-helix	trans	-86.5	-45	173	-55.7	-170.3	146.9	0	0	110.6	M178 R179 L183 K184 V185	M178-E181 WeakPolarHBondContact O-CA 3.47Å; M178-E181 WeakPolarHBondContact O-CB 3.45Å; M178-E181 PolarHBondContact O-N 3.36Å; R179-E181 PolarHBondContact O-N 3.49Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 3.3Å; E181-K184 WeakPolarHBondContact O-CB 3.3Å; E181-K184 PolarHBondContact O-N 3.28Å; E181-K184 VanDerWaalsContact O-N 3.12Å; E181-V185 PolarHBondContact O-N 2.7Å
182	T	92.5	Very high	84.7	Confident	28 Å²	28	83.8 Å²	83.8	17%	0.172	41%	0.407	C	S	.	.	H	α-helix	trans	-52.7	-47.4	171.7	-50.7	0	0	0	0	112.1	A163 S167 M178 R179 K184 V185 N186	A163-T182 HydrophobicContact CB-CG2 4.04Å; S167-T182 VanDerWaalsContact CB-OG1 3.31Å; S167-T182 WeakPolarHBondContact CB-OG1 3.13Å; S167-T182 PolarHBondContact OG-OG1 2.81Å; M178-T182 PolarHBondContact O-N 2.97Å; M178-T182 VanDerWaalsContact O-N 3.09Å; M178-T182 PolarHBondContact O-OG1 3.2Å; R179-T182 PolarHBondContact O-N 3.1Å; T182-K184 VanDerWaalsContact C-N 3.3Å; T182-K184 PolarHBondContact O-N 3.44Å; T182-V185 PolarHBondContact O-N 3.2Å; T182-V185 VanDerWaalsContact O-N 3.16Å; T182-N186 WeakPolarHBondContact O-CB 3.36Å; T182-N186 VanDerWaalsContact O-CG 3.32Å; T182-N186 PolarHBondContact O-N 3.07Å
183	L	89.9	Confident	83.6	Confident	6 Å²	6	83 Å²	83	3%	0.031	40%	0.401	C	S	.	.	H	α-helix	trans	-62.7	-33.3	-179.8	-73.5	-177.4	0	0	0	112.8	I43 D164 R179 E181 Q187	I43-L183 HydrophobicContact CD1-CD2 4.16Å; I43-L183 HydrophobicContact CG1-CD2 4.38Å; I43-L183 HydrophobicContact CG2-CB 3.91Å; I43-L183 HydrophobicContact CG2-CD1 4.21Å; I43-L183 HydrophobicContact CG2-CD2 3.79Å; I43-L183 HydrophobicContact CG2-CG 4.18Å; D164-L183 WeakPolarHBondContact OD1-CD2 3.31Å; R179-L183 HydrophobicContact CG-CD1 4.13Å; R179-L183 HydrophobicContact CG-CG 4.08Å; R179-L183 WeakPolarHBondContact O-CB 3.18Å; R179-L183 VanDerWaalsContact O-CG 3.32Å; R179-L183 WeakPolarHBondContact O-CG 3.49Å; R179-L183 PolarHBondContact O-N 2.7Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 3.3Å; L183-Q187 WeakPolarHBondContact O-CB 3.48Å; L183-Q187 VanDerWaalsContact O-CG 3.3Å; L183-Q187 WeakPolarHBondContact O-CG 3.11Å; L183-Q187 PolarHBondContact O-N 2.95Å
184	K	88.6	Confident	82.3	Confident	114 Å²	114	81.6 Å²	81.6	50%	0.496	39%	0.392	S	S	.	.	H	α-helix	trans	-70.3	-41.9	173.5	-67.6	164.1	-169.2	163.3	0	111.8	L180 E181 T182 N186 Q187 E188	L180-K184 VanDerWaalsContact O-CD 3.25Å; L180-K184 WeakPolarHBondContact O-CD 3.37Å; L180-K184 VanDerWaalsContact O-CE 3.22Å; L180-K184 WeakPolarHBondContact O-CE 3.46Å; L180-K184 VanDerWaalsContact O-CG 3.28Å; L180-K184 WeakPolarHBondContact O-CG 3.18Å; E181-K184 WeakPolarHBondContact O-CB 3.3Å; E181-K184 PolarHBondContact O-N 3.28Å; E181-K184 VanDerWaalsContact O-N 3.12Å; T182-K184 VanDerWaalsContact C-N 3.3Å; T182-K184 PolarHBondContact O-N 3.44Å; K184-N186 VanDerWaalsContact C-N 3.33Å; K184-Q187 PolarHBondContact O-N 2.84Å; K184-E188 PolarHBondContact O-N 3.45Å
185	V	91.6	Very high	80.8	Confident	90 Å²	90	80.4 Å²	80.4	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-62.4	-43.3	175.2	174.3	0	0	0	0	110.4	E181 T182 E188 K189	E181-V185 PolarHBondContact O-N 2.7Å; T182-V185 PolarHBondContact O-N 3.2Å; T182-V185 VanDerWaalsContact O-N 3.16Å; V185-E188 PolarHBondContact O-N 3.43Å; V185-K189 PolarHBondContact O-N 2.85Å
186	N	90.1	Very high	79.7	Confident	5 Å²	5	82.4 Å²	82.4	3%	0.027	39%	0.385	C	S	.	.	H	α-helix	trans	-65.2	-42.8	176.7	-71.8	-1	0	0	0	111.7	I43 Y50 M160 T182 K184 E188 K189 M190	I43-N186 HydrophobicContact CD1-CB 3.63Å; Y50-N186 PolarHBondContact OH-ND2 3.29Å; M160-N186 HydrophobicContact CG-CB 3.86Å; M160-N186 WeakPolarHBondContact CG-ND2 3.39Å; M160-N186 VanDerWaalsContact CG-OD1 3.27Å; M160-N186 WeakPolarHBondContact CG-OD1 3.3Å; M160-N186 PolarHBondContact O-ND2 3.33Å; M160-N186 HydrophobicContact SD-CB 4.02Å; T182-N186 WeakPolarHBondContact O-CB 3.36Å; T182-N186 VanDerWaalsContact O-CG 3.32Å; T182-N186 PolarHBondContact O-N 3.07Å; K184-N186 VanDerWaalsContact C-N 3.33Å; N186-E188 PolarHBondContact O-N 2.9Å; N186-K189 PolarHBondContact O-N 3.04Å; N186-M190 WeakPolarHBondContact O-CB 3.34Å; N186-M190 WeakPolarHBondContact O-CG 3.24Å; N186-M190 PolarHBondContact O-N 2.92Å
187	Q	84.5	Confident	78.4	Confident	91 Å²	91	80 Å²	80	43%	0.425	38%	0.377	S	S	.	.	H	α-helix	trans	-57.1	-45	173.1	-81.3	177.6	-15.2	0	0	112.4	I43 L183 K184 M190 K191	I43-Q187 HydrophobicContact CB-CG 3.75Å; I43-Q187 HydrophobicContact CD1-CG 3.95Å; I43-Q187 HydrophobicContact CG1-CG 4.38Å; I43-Q187 HydrophobicContact CG2-CG 3.9Å; I43-Q187 PolarHBondContact O-NE2 2.77Å; L183-Q187 WeakPolarHBondContact O-CB 3.48Å; L183-Q187 VanDerWaalsContact O-CG 3.3Å; L183-Q187 WeakPolarHBondContact O-CG 3.11Å; L183-Q187 PolarHBondContact O-N 2.95Å; K184-Q187 PolarHBondContact O-N 2.84Å; Q187-M190 PolarHBondContact O-N 3.4Å; Q187-K191 VanDerWaalsContact O-CB 3.31Å; Q187-K191 WeakPolarHBondContact O-CB 3.28Å; Q187-K191 PolarHBondContact O-N 2.81Å
188	E	84.9	Confident	76.3	Confident	65 Å²	65	73.8 Å²	73.8	30%	0.304	35%	0.352	S	S	.	.	H	α-helix	trans	-72.1	-36	178.8	178.5	66.2	-179.7	0	0	112.4	K184 V185 N186 K191 R192	K184-E188 PolarHBondContact O-N 3.45Å; V185-E188 PolarHBondContact O-N 3.43Å; N186-E188 PolarHBondContact O-N 2.9Å; E188-K191 PolarHBondContact O-N 3.34Å; E188-K191 IonicContact OE1-NZ 3.94Å; E188-K191 IonicContact OE2-NZ 2.64Å; E188-K191 PolarHBondContact OE2-NZ 2.83Å; E188-R192 WeakPolarHBondContact O-CB 3.42Å; E188-R192 VanDerWaalsContact O-CG 3.32Å; E188-R192 WeakPolarHBondContact O-CG 3.37Å; E188-R192 PolarHBondContact O-N 3.45Å; E188-R192 IonicContact OE1-CZ 3.93Å; E188-R192 IonicContact OE1-NE 2.84Å; E188-R192 PolarHBondContact OE1-NE 3.38Å; E188-R192 IonicContact OE1-NH2 2.77Å; E188-R192 PolarHBondContact OE1-NH2 2.95Å
189	K	83.9	Confident	73.8	Confident	80 Å²	80	72.5 Å²	72.5	35%	0.348	35%	0.352	S	S	.	.	H	α-helix	trans	-57.6	-52.6	168.9	-89.2	-163.2	168.6	-161.9	0	111	E157 M160 V185 N186 K191 R192 Q193	E157-K189 IonicContact OE2-NZ 2.72Å; E157-K189 PolarHBondContact OE2-NZ 2.8Å; M160-K189 HydrophobicContact CE-CB 3.81Å; M160-K189 HydrophobicContact CE-CD 3.97Å; V185-K189 PolarHBondContact O-N 2.85Å; N186-K189 PolarHBondContact O-N 3.04Å; K189-K191 VanDerWaalsContact C-N 3.31Å; K189-K191 PolarHBondContact O-N 3.35Å; K189-R192 PolarHBondContact O-N 2.88Å; K189-R192 VanDerWaalsContact O-N 3.15Å; K189-Q193 PolarHBondContact O-N 3.49Å
190	M	77.4	Confident	71	Confident	23 Å²	23	77.9 Å²	77.9	11%	0.113	39%	0.388	C	S	.	.	H	α-helix	trans	-59.5	-41.2	-179.8	-72.8	-65.8	-75.9	0	0	112.1	N41 V156 M160 N186 Q187 Q193 R194	N41-M190 HydrophobicContact CB-CE 3.5Å; V156-M190 HydrophobicContact CB-SD 4.36Å; V156-M190 HydrophobicContact CG1-CE 3.61Å; V156-M190 HydrophobicContact CG1-SD 3.44Å; V156-M190 WeakPolarHBondContact CG1-SD 3.14Å; M160-M190 HydrophobicContact CE-CG 4.01Å; M160-M190 HydrophobicContact CE-SD 3.74Å; M160-M190 HydrophobicContact SD-CG 3.62Å; M160-M190 HydrophobicContact SD-SD 3.7Å; M160-M190 VanDerWaalsContact SD-SD 3.7Å; N186-M190 WeakPolarHBondContact O-CB 3.34Å; N186-M190 WeakPolarHBondContact O-CG 3.24Å; N186-M190 PolarHBondContact O-N 2.92Å; Q187-M190 PolarHBondContact O-N 3.4Å; M190-Q193 PolarHBondContact O-N 2.79Å; M190-R194 WeakPolarHBondContact O-CB 3.24Å; M190-R194 VanDerWaalsContact O-CG 3.28Å; M190-R194 WeakPolarHBondContact O-CG 3.27Å; M190-R194 PolarHBondContact O-N 3.49Å
191	K	72.8	Confident	68.4	Low	96 Å²	96	79 Å²	79	42%	0.417	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-47.2	174.2	174.1	173.6	149.5	-110.3	0	111.6	Q187 E188 K189 Q193 R194 E195	Q187-K191 VanDerWaalsContact O-CB 3.31Å; Q187-K191 WeakPolarHBondContact O-CB 3.28Å; Q187-K191 PolarHBondContact O-N 2.81Å; E188-K191 PolarHBondContact O-N 3.34Å; E188-K191 IonicContact OE1-NZ 3.94Å; E188-K191 IonicContact OE2-NZ 2.64Å; E188-K191 PolarHBondContact OE2-NZ 2.83Å; K189-K191 VanDerWaalsContact C-N 3.31Å; K189-K191 PolarHBondContact O-N 3.35Å; K191-Q193 PolarHBondContact O-N 3.17Å; K191-R194 WeakPolarHBondContact O-CB 3.45Å; K191-R194 PolarHBondContact O-N 3.43Å; K191-E195 WeakPolarHBondContact CE-OE1 3.39Å; K191-E195 WeakPolarHBondContact CG-OE1 3.44Å; K191-E195 WeakPolarHBondContact O-CG 3.21Å; K191-E195 PolarHBondContact O-N 2.84Å
192	R	72.7	Confident	65.9	Low	146 Å²	146	77.2 Å²	77.2	55%	0.551	41%	0.41	S	S	*	.	H	α-helix	trans	-64.8	-38	177.6	-72.8	174.3	-174.7	-126	-4.6	113.1	E188 K189 E195 T196	E188-R192 WeakPolarHBondContact O-CB 3.42Å; E188-R192 VanDerWaalsContact O-CG 3.32Å; E188-R192 WeakPolarHBondContact O-CG 3.37Å; E188-R192 PolarHBondContact O-N 3.45Å; E188-R192 IonicContact OE1-CZ 3.93Å; E188-R192 IonicContact OE1-NE 2.84Å; E188-R192 PolarHBondContact OE1-NE 3.38Å; E188-R192 IonicContact OE1-NH2 2.77Å; E188-R192 PolarHBondContact OE1-NH2 2.95Å; K189-R192 PolarHBondContact O-N 2.88Å; K189-R192 VanDerWaalsContact O-N 3.15Å; R192-E195 PolarHBondContact O-N 3.1Å; R192-T196 WeakPolarHBondContact O-CB 3.37Å; R192-T196 PolarHBondContact O-N 3.38Å; R192-T196 PolarHBondContact O-OG1 3.03Å
193	Q	65.1	Low	63.2	Low	57 Å²	57	82 Å²	82	27%	0.266	44%	0.442	S	S	.	.	H	α-helix	trans	-62.1	-44.8	172.8	-75	172.7	-26.3	0	0	110.5	E157 K189 M190 K191 E195 T196 I197	E157-Q193 PolarHBondContact OE1-NE2 2.99Å; K189-Q193 PolarHBondContact O-N 3.49Å; M190-Q193 PolarHBondContact O-N 2.79Å; K191-Q193 PolarHBondContact O-N 3.17Å; Q193-E195 VanDerWaalsContact C-N 3.28Å; Q193-E195 PolarHBondContact O-N 2.55Å; Q193-T196 PolarHBondContact O-N 2.8Å; Q193-T196 VanDerWaalsContact O-N 3.16Å; Q193-I197 WeakPolarHBondContact O-CG1 3.44Å; Q193-I197 PolarHBondContact O-N 3.25Å
194	R	60.8	Low	60.5	Low	92 Å²	92	91.3 Å²	91.3	35%	0.347	48%	0.477	S	S	.	.	H	α-helix	trans	-61.8	-30	173.8	-72.4	169.8	173.8	-167.3	-3.7	113.9	Y37 S38 N41 M190 K191	Y37-R194 PolarHBondContact O-NH2 2.88Å; S38-R194 PolarHBondContact O-NH2 2.9Å; N41-R194 PolarHBondContact O-NH2 3.28Å; M190-R194 WeakPolarHBondContact O-CB 3.24Å; M190-R194 VanDerWaalsContact O-CG 3.28Å; M190-R194 WeakPolarHBondContact O-CG 3.27Å; M190-R194 PolarHBondContact O-N 3.49Å; K191-R194 WeakPolarHBondContact O-CB 3.45Å; K191-R194 PolarHBondContact O-N 3.43Å
195	E	53.6	Low	58	Low	102 Å²	102	88.6 Å²	88.6	48%	0.477	48%	0.481	S	S	.	.	H	α-helix	trans	-77.6	-35	173.7	-71.1	164.6	174.6	0	0	112.5	K191 R192 Q193 I197 L198	K191-E195 WeakPolarHBondContact CE-OE1 3.39Å; K191-E195 WeakPolarHBondContact CG-OE1 3.44Å; K191-E195 WeakPolarHBondContact O-CG 3.21Å; K191-E195 PolarHBondContact O-N 2.84Å; R192-E195 PolarHBondContact O-N 3.1Å; Q193-E195 VanDerWaalsContact C-N 3.28Å; Q193-E195 PolarHBondContact O-N 2.55Å; E195-I197 VanDerWaalsContact C-N 3.31Å; E195-I197 PolarHBondContact O-N 2.9Å; E195-L198 PolarHBondContact O-N 2.86Å
196	T	51.5	Low	55.5	Low	112 Å²	112	90.1 Å²	90.1	69%	0.687	49%	0.493	S	S	*	.	H	α-helix	trans	-77.5	-13.2	-175.3	-54.5	0	0	0	0	113.7	R192 Q193 L198	R192-T196 WeakPolarHBondContact O-CB 3.37Å; R192-T196 PolarHBondContact O-N 3.38Å; R192-T196 PolarHBondContact O-OG1 3.03Å; Q193-T196 PolarHBondContact O-N 2.8Å; Q193-T196 VanDerWaalsContact O-N 3.16Å; T196-L198 PolarHBondContact O-N 2.89Å
197	I	46	Very low	52.8	Low	65 Å²	65	95.5 Å²	95.5	33%	0.333	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.5	173.5	-72.5	166.5	0	0	0	112.3	Y37 Q193 E195	Y37-I197 HydrophobicContact CD2-CD1 4.07Å; Y37-I197 HydrophobicContact CE2-CD1 4.22Å; Y37-I197 HydrophobicContact CG-CD1 4.5Å; Q193-I197 WeakPolarHBondContact O-CG1 3.44Å; Q193-I197 PolarHBondContact O-N 3.25Å; E195-I197 VanDerWaalsContact C-N 3.31Å; E195-I197 PolarHBondContact O-N 2.9Å
198	L	38.5	Very low	50.5	Low	41 Å²	41	97.3 Å²	97.3	22%	0.215	55%	0.548	C	S	.	.	S	Bend	trans	-82.2	134.7	175.6	-60.3	176.2	0	0	0	111.3	L30 E195 T196 E625	L30-L198 HydrophobicContact CD2-CD2 4.2Å; E195-L198 PolarHBondContact O-N 2.86Å; T196-L198 PolarHBondContact O-N 2.89Å; L198-E625 HydrophobicContact CD1-CG 3.84Å; L198-E625 HydrophobicContact CD2-CG 3.92Å
199	P	35.2	Very low	48.1	Very low	77 Å²	77	100.8 Å²	100.8	50%	0.5	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-65.7	139.8	178.2	27.5	-34.5	0	0	0	111.3	L25 S201	L25-P199 HydrophobicContact CD1-CG 4.47Å; P199-S201 PolarHBondContact O-N 3.5Å
200	P	33.1	Very low	45.9	Very low	126 Å²	126	101.6 Å²	101.6	82%	0.818	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-62.9	134.8	178.2	26.1	-34.1	0	0	0	110.8	A202	P200-A202 PolarHBondContact O-N 3.48Å; P200-A202 VanDerWaalsContact O-N 3.17Å
201	S	33.3	Very low	43.7	Very low	117 Å²	117	108.1 Å²	108.1	82%	0.818	63%	0.63	S	S	*	*			trans	-63.4	115.6	-177.1	56.3	0	0	0	0	111.6	P199	P199-S201 PolarHBondContact O-N 3.5Å
202	A	37.1	Very low	41.9	Very low	88 Å²	88	114.9 Å²	114.9	73%	0.727	65%	0.653	S	S	*	*			trans	-61.7	141.3	-177.5	0	0	0	0	0	112.8	P200	P200-A202 PolarHBondContact O-N 3.48Å; P200-A202 VanDerWaalsContact O-N 3.17Å
203	P	36.7	Very low	40	Very low	130 Å²	130	120 Å²	120	84%	0.844	67%	0.673	S	S	*	*			trans	-59.5	137.4	171.7	-23.8	34.6	0	0	0	112.2	G205	P203-G205 PolarHBondContact O-N 3.03Å; P203-G205 VanDerWaalsContact O-N 3.09Å
204	R	32.9	Very low	38.7	Very low	201 Å²	201	122.2 Å²	122.2	76%	0.758	70%	0.7	S	S	*	*			trans	-76.7	96.5	-175.3	-167.5	-179.2	-61.3	-129.7	-0.3	111.3	D632	R204-D632 IonicContact CZ-OD1 2.76Å; R204-D632 IonicContact CZ-OD2 2.64Å; R204-D632 IonicContact NH1-OD1 3.63Å; R204-D632 IonicContact NH1-OD2 2.72Å; R204-D632 PolarHBondContact NH1-OD2 3.16Å; R204-D632 IonicContact NH2-OD1 3.79Å; R204-D632 PolarHBondContact NH2-OD1 2.82Å; R204-D632 IonicContact NH2-OD2 3.35Å; R204-D632 PolarHBondContact NH2-OD2 2.98Å
205	G	36.5	Very low	37.2	Very low	57 Å²	57	122.9 Å²	122.9	59%	0.588	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-71.1	160.1	173.2	0	0	0	0	0	114	P203	P203-G205 PolarHBondContact O-N 3.03Å; P203-G205 VanDerWaalsContact O-N 3.09Å
206	P	37.9	Very low	36.2	Very low	122 Å²	122	122.8 Å²	122.8	79%	0.792	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-74.4	158	177.8	31.7	-35.3	0	0	0	112.8
207	P	35.1	Very low	35.5	Very low	117 Å²	117	122.5 Å²	122.5	76%	0.76	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-76.3	150.6	-172.5	31.1	-36.3	0	0	0	113.6
208	P	35.7	Very low	34.9	Very low	129 Å²	129	123.1 Å²	123.1	84%	0.838	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-74.2	144.3	176.8	31	-35	0	0	0	112.4
209	V	34.2	Very low	34.9	Very low	138 Å²	138	128.5 Å²	128.5	84%	0.836	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-83.7	128	176.5	-179.9	0	0	0	0	110
210	A	38	Very low	35.4	Very low	97 Å²	97	130.8 Å²	130.8	80%	0.802	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-73.4	135.1	176.1	0	0	0	0	0	111.7
211	N	32.1	Very low	35.8	Very low	160 Å²	160	133.9 Å²	133.9	86%	0.856	81%	0.805	S	S	*	*			trans	-137.7	122.2	167.2	-118.4	-29.8	0	0	0	110.1
212	R	34.3	Very low	36.3	Very low	239 Å²	239	132.5 Å²	132.5	90%	0.902	80%	0.796	S	S	*	*			trans	-84.2	147.5	171.8	-63.8	179.7	-176.6	168.9	0.2	109.5
213	R	33.4	Very low	36.8	Very low	254 Å²	254	133.6 Å²	133.6	96%	0.958	79%	0.789	S	S	*	*			trans	-152.2	147	135.2	-109.3	166.6	-168.2	-168	1.8	109.4
214	A	36.1	Very low	37.3	Very low	103 Å²	103	134.6 Å²	134.6	85%	0.851	78%	0.782	S	S	*	*			trans	-123.8	148.8	175.7	0	0	0	0	0	108.8
215	A	30.2	Very low	38.1	Very low	105 Å²	105	130.3 Å²	130.3	87%	0.868	77%	0.774	S	S	*	*			trans	-144.5	155.9	169.1	0	0	0	0	0	108.1
216	A	32	Very low	38.8	Very low	101 Å²	101	130.6 Å²	130.6	84%	0.835	77%	0.771	S	S	*	*			trans	-99.8	148.9	-158.4	0	0	0	0	0	115.6
217	A	36.8	Very low	39.4	Very low	105 Å²	105	129.8 Å²	129.8	87%	0.868	76%	0.757	S	S	*	*			trans	1.9	132.3	154	0	0	0	0	0	120.9
218	A	34.9	Very low	41	Very low	79 Å²	79	126.7 Å²	126.7	65%	0.653	74%	0.738	S	S	*	*			trans	-148.7	166	140.3	0	0	0	0	0	109.9
219	H	37.1	Very low	42.7	Very low	154 Å²	154	126.7 Å²	126.7	71%	0.713	73%	0.726	S	S	*	*			trans	72.9	44.2	167.3	-47	-35.5	0	0	0	119	H221	H219-H221 PolarHBondContact O-N 3.28Å; H219-H221 VanDerWaalsContact O-N 3.11Å
220	T	46.4	Very low	44.6	Very low	125 Å²	125	125.1 Å²	125.1	77%	0.767	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	100.9	150.3	47.3	0	0	0	0	110
221	H	41.4	Very low	46.5	Very low	190 Å²	190	126.2 Å²	126.2	88%	0.88	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-179.6	-18	138.6	-99.1	-61.4	0	0	0	114.8	H219	H219-H221 PolarHBondContact O-N 3.28Å; H219-H221 VanDerWaalsContact O-N 3.11Å
222	S	43.5	Very low	48.8	Very low	88 Å²	88	122.8 Å²	122.8	62%	0.615	68%	0.678	S	S	*	*	S	Bend	trans	-94.2	-17	178.2	52.7	0	0	0	0	115	H224	S222-H224 VanDerWaalsContact C-N 3.29Å; S222-H224 PolarHBondContact O-N 3.29Å
223	L	48.3	Very low	50.7	Low	111 Å²	111	113.9 Å²	113.9	58%	0.581	66%	0.655	S	S	*	*	H	α-helix	trans	-64.9	-28	-172.4	-68.2	169.6	0	0	0	114	D225 A226 E227	L223-D225 PolarHBondContact O-N 2.81Å; L223-A226 PolarHBondContact O-N 2.79Å; L223-E227 VanDerWaalsContact O-CB 3.3Å; L223-E227 WeakPolarHBondContact O-CB 3.05Å; L223-E227 PolarHBondContact O-N 3.38Å
224	H	47.2	Very low	52.9	Low	152 Å²	152	105.3 Å²	105.3	70%	0.704	63%	0.626	S	S	*	*	H	α-helix	trans	-72.8	-27.6	-173.2	-160	-61.5	0	0	0	113.3	S222 S228	S222-H224 VanDerWaalsContact C-N 3.29Å; S222-H224 PolarHBondContact O-N 3.29Å; H224-S228 WeakPolarHBondContact O-CB 3.23Å; H224-S228 PolarHBondContact O-N 3.43Å
225	D	49.1	Very low	55.1	Low	111 Å²	111	105 Å²	105	59%	0.594	60%	0.603	S	S	*	*	H	α-helix	trans	-83.7	-36.6	170.9	-79.9	-25.1	0	0	0	111.7	L223 E227 S228 H229	L223-D225 PolarHBondContact O-N 2.81Å; D225-E227 VanDerWaalsContact C-N 3.3Å; D225-E227 PolarHBondContact O-N 2.82Å; D225-S228 WeakPolarHBondContact CA-OG 3.39Å; D225-S228 PolarHBondContact O-N 3.03Å; D225-S228 PolarHBondContact O-OG 2.82Å; D225-H229 WeakPolarHBondContact O-CB 3.42Å; D225-H229 PolarHBondContact O-CD2 2.89Å; D225-H229 VanDerWaalsContact O-CD2 3.29Å; D225-H229 PolarHBondContact O-N 2.49Å
226	A	51.1	Low	57.7	Low	63 Å²	63	101.6 Å²	101.6	52%	0.521	57%	0.57	S	S	.	*	H	α-helix	trans	-59.2	-43.9	172.8	0	0	0	0	0	111.3	L223 E230	L223-A226 PolarHBondContact O-N 2.79Å; A226-E230 VanDerWaalsContact O-CB 3.23Å; A226-E230 WeakPolarHBondContact O-CB 3.31Å; A226-E230 PolarHBondContact O-N 3.14Å
227	E	50.1	Low	60.1	Low	105 Å²	105	103.1 Å²	103.1	49%	0.491	56%	0.559	S	S	.	*	H	α-helix	trans	-70.9	-28.6	178.2	-163.9	-175.7	160.3	0	0	112.9	L223 D225 K231	L223-E227 VanDerWaalsContact O-CB 3.3Å; L223-E227 WeakPolarHBondContact O-CB 3.05Å; L223-E227 PolarHBondContact O-N 3.38Å; D225-E227 VanDerWaalsContact C-N 3.3Å; D225-E227 PolarHBondContact O-N 2.82Å; E227-K231 HydrophobicContact CG-CD 4.4Å; E227-K231 WeakPolarHBondContact O-CB 3.31Å; E227-K231 WeakPolarHBondContact O-CD 3.41Å; E227-K231 WeakPolarHBondContact O-CG 3.35Å; E227-K231 PolarHBondContact O-N 2.94Å; E227-K231 VanDerWaalsContact OE1-CE 3.32Å; E227-K231 WeakPolarHBondContact OE1-CE 3.17Å; E227-K231 IonicContact OE1-NZ 3.87Å; E227-K231 PolarHBondContact OE1-NZ 3.29Å
228	S	69.2	Low	62.4	Low	52 Å²	52	102 Å²	102	36%	0.364	54%	0.535	S	S	.	.	H	α-helix	trans	-76.5	-42.6	175.5	76.4	0	0	0	0	112	H224 D225 K231 L232	H224-S228 WeakPolarHBondContact O-CB 3.23Å; H224-S228 PolarHBondContact O-N 3.43Å; D225-S228 WeakPolarHBondContact CA-OG 3.39Å; D225-S228 PolarHBondContact O-N 3.03Å; D225-S228 PolarHBondContact O-OG 2.82Å; S228-K231 PolarHBondContact O-N 2.88Å; S228-L232 WeakPolarHBondContact O-CB 3.44Å; S228-L232 PolarHBondContact O-N 3Å
229	H	71.1	Confident	65	Low	128 Å²	128	98.5 Å²	98.5	59%	0.593	51%	0.505	S	S	*	.	H	α-helix	trans	-64.9	-40.4	174.2	-85.5	-83.5	0	0	0	112.3	D225 L232 A233	D225-H229 WeakPolarHBondContact O-CB 3.42Å; D225-H229 PolarHBondContact O-CD2 2.89Å; D225-H229 VanDerWaalsContact O-CD2 3.29Å; D225-H229 PolarHBondContact O-N 2.49Å; H229-L232 PolarHBondContact O-N 2.89Å; H229-A233 WeakPolarHBondContact O-CB 3.45Å; H229-A233 PolarHBondContact O-N 2.95Å
230	E	74.5	Confident	67.3	Low	105 Å²	105	93 Å²	93	49%	0.491	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-47.7	174.6	178.8	58.4	-152.1	0	0	111.4	A226 L232 A233 Q234	A226-E230 VanDerWaalsContact O-CB 3.23Å; A226-E230 WeakPolarHBondContact O-CB 3.31Å; A226-E230 PolarHBondContact O-N 3.14Å; E230-L232 VanDerWaalsContact C-N 3.27Å; E230-L232 PolarHBondContact O-N 3.35Å; E230-A233 PolarHBondContact O-N 3.26Å; E230-Q234 WeakPolarHBondContact O-CG 3.45Å; E230-Q234 PolarHBondContact O-N 2.99Å; E230-Q234 PolarHBondContact OE1-NE2 3.24Å
231	K	77.5	Confident	69.3	Low	120 Å²	120	91.1 Å²	91.1	52%	0.522	47%	0.465	S	S	.	.	H	α-helix	trans	-62.6	-33.1	175.7	-74.3	169.2	-173.8	167.6	0	112.8	E227 S228 R235	E227-K231 HydrophobicContact CG-CD 4.4Å; E227-K231 WeakPolarHBondContact O-CB 3.31Å; E227-K231 WeakPolarHBondContact O-CD 3.41Å; E227-K231 WeakPolarHBondContact O-CG 3.35Å; E227-K231 PolarHBondContact O-N 2.94Å; E227-K231 VanDerWaalsContact OE1-CE 3.32Å; E227-K231 WeakPolarHBondContact OE1-CE 3.17Å; E227-K231 IonicContact OE1-NZ 3.87Å; E227-K231 PolarHBondContact OE1-NZ 3.29Å; S228-K231 PolarHBondContact O-N 2.88Å; K231-R235 PolarHBondContact O-N 3.14Å; K231-R235 VanDerWaalsContact O-N 3.15Å
232	L	79.6	Confident	71.6	Confident	89 Å²	89	82.3 Å²	82.3	47%	0.466	42%	0.424	S	S	.	.	H	α-helix	trans	-69.2	-46.1	173.8	178.2	59.6	0	0	0	111.5	S228 H229 E230 Q234 R235 I236	S228-L232 WeakPolarHBondContact O-CB 3.44Å; S228-L232 PolarHBondContact O-N 3Å; H229-L232 PolarHBondContact O-N 2.89Å; E230-L232 VanDerWaalsContact C-N 3.27Å; E230-L232 PolarHBondContact O-N 3.35Å; L232-Q234 PolarHBondContact O-N 2.89Å; L232-R235 WeakPolarHBondContact O-CB 3.13Å; L232-R235 PolarHBondContact O-N 3.43Å; L232-I236 HydrophobicContact CD1-CD1 4.08Å; L232-I236 HydrophobicContact CD1-CG1 4.38Å; L232-I236 HydrophobicContact CG-CD1 3.95Å; L232-I236 WeakPolarHBondContact O-CG1 3.42Å; L232-I236 PolarHBondContact O-N 2.76Å
233	A	75	Confident	73.9	Confident	51 Å²	51	78.2 Å²	78.2	42%	0.421	40%	0.395	S	S	.	.	H	α-helix	trans	-58.7	-47.9	176.2	0	0	0	0	0	111.4	H229 E230 R235 I236 E237	H229-A233 WeakPolarHBondContact O-CB 3.45Å; H229-A233 PolarHBondContact O-N 2.95Å; E230-A233 PolarHBondContact O-N 3.26Å; A233-R235 PolarHBondContact O-N 3.46Å; A233-I236 PolarHBondContact O-N 3Å; A233-I236 VanDerWaalsContact O-N 3.16Å; A233-E237 WeakPolarHBondContact O-CB 3.22Å; A233-E237 PolarHBondContact O-N 3.26Å
234	Q	80.1	Confident	75.9	Confident	75 Å²	75	76.7 Å²	76.7	35%	0.35	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-23.1	174.6	-68.7	-179.6	18.1	0	0	113.9	E230 L232 K238	E230-Q234 WeakPolarHBondContact O-CG 3.45Å; E230-Q234 PolarHBondContact O-N 2.99Å; E230-Q234 PolarHBondContact OE1-NE2 3.24Å; L232-Q234 PolarHBondContact O-N 2.89Å; Q234-K238 WeakPolarHBondContact O-CD 3.49Å; Q234-K238 VanDerWaalsContact O-CG 3.27Å; Q234-K238 WeakPolarHBondContact O-CG 3.29Å
235	R	82.8	Confident	77.9	Confident	97 Å²	97	69.9 Å²	69.9	37%	0.366	36%	0.357	S	S	.	.	H	α-helix	trans	-77.6	-44.8	173.1	-159.4	178.6	-168	-173.3	1.4	110.7	K231 L232 A233 K238 D239 F413 T416	K231-R235 PolarHBondContact O-N 3.14Å; K231-R235 VanDerWaalsContact O-N 3.15Å; L232-R235 WeakPolarHBondContact O-CB 3.13Å; L232-R235 PolarHBondContact O-N 3.43Å; A233-R235 PolarHBondContact O-N 3.46Å; R235-K238 PolarHBondContact O-N 3.36Å; R235-D239 PolarHBondContact O-N 3.1Å; R235-F413 HydrophobicContact CB-CZ 4.5Å; R235-F413 HydrophobicContact CG-CE1 4.27Å; R235-F413 HydrophobicContact CG-CE2 4.24Å; R235-F413 HydrophobicContact CG-CZ 3.58Å; R235-T416 PolarHBondContact NH2-O 2.71Å
236	I	84.9	Confident	80.1	Confident	33 Å²	33	64.6 Å²	64.6	17%	0.169	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-45.7	176.6	-66.7	162	0	0	0	110.9	L232 A233 K238 D239 V240 L315 H318	L232-I236 HydrophobicContact CD1-CD1 4.08Å; L232-I236 HydrophobicContact CD1-CG1 4.38Å; L232-I236 HydrophobicContact CG-CD1 3.95Å; L232-I236 WeakPolarHBondContact O-CG1 3.42Å; L232-I236 PolarHBondContact O-N 2.76Å; A233-I236 PolarHBondContact O-N 3Å; A233-I236 VanDerWaalsContact O-N 3.16Å; I236-K238 VanDerWaalsContact C-N 3.33Å; I236-K238 PolarHBondContact O-N 2.77Å; I236-D239 PolarHBondContact O-N 2.8Å; I236-V240 HydrophobicContact CG2-CG2 4.47Å; I236-V240 WeakPolarHBondContact O-CG2 3.18Å; I236-V240 PolarHBondContact O-N 3.02Å; I236-L315 HydrophobicContact CG2-CD2 3.97Å; I236-H318 HydrophobicContact CG2-CB 4.09Å
237	E	81.8	Confident	82	Confident	133 Å²	133	63.5 Å²	63.5	62%	0.621	31%	0.314	S	S	*	.	H	α-helix	trans	-58.1	-43.8	177.4	-175.4	-178.1	-154.9	0	0	111.8	A233 V240 Q241	A233-E237 WeakPolarHBondContact O-CB 3.22Å; A233-E237 PolarHBondContact O-N 3.26Å; E237-V240 PolarHBondContact O-N 3.47Å; E237-Q241 WeakPolarHBondContact O-CB 3.38Å; E237-Q241 PolarHBondContact O-N 3.32Å
238	K	85.4	Confident	83.7	Confident	81 Å²	81	62.2 Å²	62.2	35%	0.352	31%	0.311	S	S	.	.	H	α-helix	trans	-67.8	-41.3	176.3	-72.1	166.7	-167.8	155.3	0	112.3	Q234 R235 I236 V240 Q241 I242 F413	Q234-K238 WeakPolarHBondContact O-CD 3.49Å; Q234-K238 VanDerWaalsContact O-CG 3.27Å; Q234-K238 WeakPolarHBondContact O-CG 3.29Å; R235-K238 PolarHBondContact O-N 3.36Å; I236-K238 VanDerWaalsContact C-N 3.33Å; I236-K238 PolarHBondContact O-N 2.77Å; K238-V240 VanDerWaalsContact C-N 3.3Å; K238-V240 PolarHBondContact O-N 3.24Å; K238-Q241 PolarHBondContact O-N 3.33Å; K238-I242 VanDerWaalsContact O-CG1 3.26Å; K238-I242 WeakPolarHBondContact O-CG1 3.25Å; K238-I242 PolarHBondContact O-N 2.96Å; K238-F413 HydrophobicContact CB-CE1 4.06Å; K238-F413 HydrophobicContact CB-CE2 4.33Å; K238-F413 HydrophobicContact CB-CZ 3.63Å; K238-F413 HydrophobicContact CD-CE2 3.95Å; K238-F413 HydrophobicContact CD-CZ 4.06Å; K238-F413 HydrophobicContact CG-CZ 4.48Å
239	D	88.7	Confident	84.9	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.032	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-40.1	174.1	-78.6	-45.2	0	0	0	111.5	R235 I236 L243 L311 K314 L315 F413	R235-D239 PolarHBondContact O-N 3.1Å; I236-D239 PolarHBondContact O-N 2.8Å; D239-L243 WeakPolarHBondContact O-CB 3.34Å; D239-L243 PolarHBondContact O-N 2.97Å; D239-L311 HydrophobicContact CB-CD2 4.06Å; D239-L311 WeakPolarHBondContact OD1-CD2 3.44Å; D239-K314 IonicContact OD1-NZ 3.92Å; D239-K314 PolarHBondContact OD1-NZ 3.29Å; D239-K314 WeakPolarHBondContact OD2-CE 3.47Å; D239-K314 IonicContact OD2-NZ 3.58Å; D239-K314 PolarHBondContact OD2-NZ 2.93Å; D239-L315 HydrophobicContact CB-CD1 4.09Å; D239-L315 HydrophobicContact CB-CD2 3.86Å; D239-L315 HydrophobicContact CB-CG 4.18Å; D239-F413 WeakPolarHBondContact OD1-CE1 3.37Å
240	V	86.4	Confident	86	Confident	39 Å²	39	54.2 Å²	54.2	24%	0.236	27%	0.268	C	S	.	.	H	α-helix	trans	-67	-39.9	173.6	171.2	0	0	0	0	111.6	I236 E237 K238 L243 N244 L315 L319	I236-V240 HydrophobicContact CG2-CG2 4.47Å; I236-V240 WeakPolarHBondContact O-CG2 3.18Å; I236-V240 PolarHBondContact O-N 3.02Å; E237-V240 PolarHBondContact O-N 3.47Å; K238-V240 VanDerWaalsContact C-N 3.3Å; K238-V240 PolarHBondContact O-N 3.24Å; V240-L243 PolarHBondContact O-N 2.82Å; V240-N244 VanDerWaalsContact O-CG 3.3Å; V240-N244 PolarHBondContact O-N 2.83Å; V240-L315 HydrophobicContact CG2-CD1 3.82Å; V240-L315 HydrophobicContact CG2-CD2 4.08Å; V240-L319 HydrophobicContact CG2-CD2 4.25Å
241	Q	87.8	Confident	86.8	Confident	85 Å²	85	55.9 Å²	55.9	40%	0.397	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-43.9	175.7	-171	177.8	16.5	0	0	111.9	E237 K238 L243 N244 C245 W407	E237-Q241 WeakPolarHBondContact O-CB 3.38Å; E237-Q241 PolarHBondContact O-N 3.32Å; K238-Q241 PolarHBondContact O-N 3.33Å; Q241-L243 VanDerWaalsContact C-N 3.34Å; Q241-N244 PolarHBondContact O-N 3.32Å; Q241-C245 PolarHBondContact O-N 3.34Å; Q241-C245 PolarHBondContact O-SG 3.46Å; Q241-C245 VanDerWaalsContact O-SG 3.4Å; Q241-W407 HydrophobicContact CB-CH2 4.14Å; Q241-W407 HydrophobicContact CG-CH2 3.68Å; Q241-W407 HydrophobicContact CG-CZ2 3.91Å; Q241-W407 HydrophobicContact CG-CZ3 4.1Å; Q241-W407 VanDerWaalsContact OE1-CZ2 3.24Å
242	I	90.6	Very high	87.2	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-40.8	175.5	-60.8	165.1	0	0	0	110.5	K238 A246 L307 L311 F403 W407 P409 F413 F414	K238-I242 VanDerWaalsContact O-CG1 3.26Å; K238-I242 WeakPolarHBondContact O-CG1 3.25Å; K238-I242 PolarHBondContact O-N 2.96Å; I242-A246 WeakPolarHBondContact O-CB 3.42Å; I242-A246 PolarHBondContact O-N 2.92Å; I242-L307 HydrophobicContact CG2-CD2 3.91Å; I242-L307 HydrophobicContact CG2-CG 4.46Å; I242-L311 HydrophobicContact CB-CD1 3.98Å; I242-L311 HydrophobicContact CG2-CD1 3.61Å; I242-F403 HydrophobicContact CG2-CE2 4.35Å; I242-F403 HydrophobicContact CG2-CZ 3.98Å; I242-W407 HydrophobicContact CG1-CH2 3.68Å; I242-W407 HydrophobicContact CG1-CZ3 3.89Å; I242-P409 HydrophobicContact CD1-CB 4.02Å; I242-P409 HydrophobicContact CG1-CB 3.98Å; I242-P409 HydrophobicContact CG1-CG 4.39Å; I242-F413 HydrophobicContact CD1-CD1 3.94Å; I242-F413 HydrophobicContact CD1-CE1 4.26Å; I242-F414 HydrophobicContact CD1-CZ 4.08Å; I242-F414 HydrophobicContact CG2-CZ 4.42Å
243	L	91.5	Very high	87.8	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-50.7	176.4	175.1	62.1	0	0	0	111	D239 V240 Q241 C245 A246 L247 A308 L311 L312 L315 L319	D239-L243 WeakPolarHBondContact O-CB 3.34Å; D239-L243 PolarHBondContact O-N 2.97Å; V240-L243 PolarHBondContact O-N 2.82Å; Q241-L243 VanDerWaalsContact C-N 3.34Å; L243-C245 PolarHBondContact O-N 2.94Å; L243-A246 WeakPolarHBondContact O-CB 3.46Å; L243-A246 PolarHBondContact O-N 3.33Å; L243-A246 VanDerWaalsContact O-N 3.08Å; L243-L247 HydrophobicContact CD1-CD1 4.23Å; L243-L247 HydrophobicContact CD1-CD2 4.45Å; L243-L247 HydrophobicContact CD1-CG 4.15Å; L243-L247 HydrophobicContact CG-CD1 4.12Å; L243-L247 HydrophobicContact CG-CG 4.42Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 3.01Å; L243-A308 HydrophobicContact CD1-CB 3.87Å; L243-L311 HydrophobicContact CB-CB 4.25Å; L243-L311 HydrophobicContact CB-CD1 4.11Å; L243-L311 HydrophobicContact CD1-CB 4.26Å; L243-L312 HydrophobicContact CD1-CD2 4.15Å; L243-L312 HydrophobicContact CD1-CG 4.18Å; L243-L312 HydrophobicContact CD2-CD2 3.69Å; L243-L312 HydrophobicContact CD2-CG 4.48Å; L243-L315 HydrophobicContact CD2-CD1 3.98Å; L243-L319 HydrophobicContact CD2-CD1 3.91Å
244	N	89.2	Confident	88.6	Confident	79 Å²	79	49.1 Å²	49.1	42%	0.422	24%	0.238	S	C	.	.	H	α-helix	trans	-59.7	-47.2	-180	-69.1	-7.7	0	0	0	111.5	V240 Q241 A246 L247 D248	V240-N244 VanDerWaalsContact O-CG 3.3Å; V240-N244 PolarHBondContact O-N 2.83Å; Q241-N244 PolarHBondContact O-N 3.32Å; N244-A246 PolarHBondContact O-N 3.24Å; N244-L247 PolarHBondContact O-N 3.49Å; N244-L247 VanDerWaalsContact O-N 3.07Å; N244-D248 PolarHBondContact O-N 3.26Å
245	C	90.3	Very high	89	Confident	10 Å²	10	46.9 Å²	46.9	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-27.3	176.4	-66.1	0	0	0	0	113.5	Q241 L243 D249 F403 N405 W407	Q241-C245 PolarHBondContact O-N 3.34Å; Q241-C245 PolarHBondContact O-SG 3.46Å; Q241-C245 VanDerWaalsContact O-SG 3.4Å; L243-C245 PolarHBondContact O-N 2.94Å; C245-D249 PolarHBondContact O-N 3.49Å; C245-F403 VanDerWaalsContact C-CE1 3.45Å; C245-F403 HydrophobicContact CB-CB 4.31Å; C245-F403 HydrophobicContact CB-CD1 3.63Å; C245-F403 HydrophobicContact CB-CD2 3.84Å; C245-F403 HydrophobicContact CB-CE1 3.78Å; C245-F403 HydrophobicContact CB-CE2 3.96Å; C245-F403 HydrophobicContact CB-CG 3.66Å; C245-F403 HydrophobicContact CB-CZ 3.93Å; C245-F403 VanDerWaalsContact O-CD1 3.23Å; C245-F403 WeakPolarHBondContact O-CD1 3.38Å; C245-N405 PolarHBondContact SG-ND2 3.17Å; C245-N405 VanDerWaalsContact SG-ND2 3.37Å; C245-W407 HydrophobicContact CB-CE3 4.43Å
246	A	94.6	Very high	89.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-72.9	-43	171	0	0	0	0	0	111.9	I242 L243 N244 D249 I250 K304 A308 F403	I242-A246 WeakPolarHBondContact O-CB 3.42Å; I242-A246 PolarHBondContact O-N 2.92Å; L243-A246 WeakPolarHBondContact O-CB 3.46Å; L243-A246 PolarHBondContact O-N 3.33Å; L243-A246 VanDerWaalsContact O-N 3.08Å; N244-A246 PolarHBondContact O-N 3.24Å; A246-D249 PolarHBondContact O-N 3.26Å; A246-I250 WeakPolarHBondContact O-CB 3.27Å; A246-I250 VanDerWaalsContact O-CD1 3.23Å; A246-I250 WeakPolarHBondContact O-CD1 3.32Å; A246-I250 WeakPolarHBondContact O-CG1 3.49Å; A246-I250 PolarHBondContact O-N 3.42Å; A246-K304 HydrophobicContact CB-CB 4.47Å; A246-A308 HydrophobicContact CB-CB 4.41Å; A246-F403 HydrophobicContact CB-CE1 4.05Å
247	L	90.5	Very high	89.5	Confident	40 Å²	40	44.7 Å²	44.7	21%	0.209	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-46.7	176.3	-64.9	176.9	0	0	0	111.7	L243 N244 D249 I250 E251 L327 L331	L243-L247 HydrophobicContact CD1-CD1 4.23Å; L243-L247 HydrophobicContact CD1-CD2 4.45Å; L243-L247 HydrophobicContact CD1-CG 4.15Å; L243-L247 HydrophobicContact CG-CD1 4.12Å; L243-L247 HydrophobicContact CG-CG 4.42Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 3.01Å; N244-L247 PolarHBondContact O-N 3.49Å; N244-L247 VanDerWaalsContact O-N 3.07Å; L247-D249 PolarHBondContact O-N 3.45Å; L247-I250 PolarHBondContact O-N 3.33Å; L247-E251 PolarHBondContact O-N 2.89Å; L247-L327 HydrophobicContact CD1-CD2 4.31Å; L247-L331 HydrophobicContact CD2-CD1 4.27Å; L247-L331 HydrophobicContact CD2-CD2 3.54Å; L247-L331 HydrophobicContact CD2-CG 4.1Å
248	D	87.2	Confident	89.9	Confident	77 Å²	77	43.1 Å²	43.1	41%	0.412	22%	0.215	S	C	.	.	H	α-helix	trans	-54.6	-49.9	177.2	-64	-25.7	0	0	0	111.2	N244 I250 E251 I252	N244-D248 PolarHBondContact O-N 3.26Å; D248-I250 PolarHBondContact O-N 3.16Å; D248-E251 PolarHBondContact O-N 2.88Å; D248-I252 WeakPolarHBondContact O-CB 3.35Å; D248-I252 WeakPolarHBondContact O-CD1 3.47Å; D248-I252 VanDerWaalsContact O-CG1 3.22Å; D248-I252 WeakPolarHBondContact O-CG1 3.43Å; D248-I252 PolarHBondContact O-N 2.69Å
249	D	92.6	Very high	89.9	Confident	9 Å²	9	42.9 Å²	42.9	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-69.2	-32.7	-178.7	-85.5	-1.2	0	0	0	112.6	C245 A246 L247 F253 K304 F403 R404	C245-D249 PolarHBondContact O-N 3.49Å; A246-D249 PolarHBondContact O-N 3.26Å; L247-D249 PolarHBondContact O-N 3.45Å; D249-F253 WeakPolarHBondContact O-CB 3.28Å; D249-F253 PolarHBondContact O-N 2.67Å; D249-K304 HydrophobicContact CB-CD 3.64Å; D249-K304 WeakPolarHBondContact OD2-CE 3.28Å; D249-K304 IonicContact OD2-NZ 2.67Å; D249-F403 VanDerWaalsContact OD2-CA 3.24Å; D249-F403 WeakPolarHBondContact OD2-CA 3.42Å; D249-R404 WeakPolarHBondContact OD1-CB 3.36Å; D249-R404 VanDerWaalsContact OD1-CD 3.25Å; D249-R404 WeakPolarHBondContact OD1-CD 3.28Å; D249-R404 WeakPolarHBondContact OD1-CG 3.49Å; D249-R404 PolarHBondContact OD1-N 3.38Å; D249-R404 PolarHBondContact OD2-N 3.14Å
250	I	94.9	Very high	89.8	Confident	3 Å²	3	43 Å²	43	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-67.7	-44.6	173.2	-68.5	160.2	0	0	0	110.5	A246 L247 D248 F253 V254 K304 L305 A308 L331 P334	A246-I250 WeakPolarHBondContact O-CB 3.27Å; A246-I250 VanDerWaalsContact O-CD1 3.23Å; A246-I250 WeakPolarHBondContact O-CD1 3.32Å; A246-I250 WeakPolarHBondContact O-CG1 3.49Å; A246-I250 PolarHBondContact O-N 3.42Å; L247-I250 PolarHBondContact O-N 3.33Å; D248-I250 PolarHBondContact O-N 3.16Å; I250-F253 PolarHBondContact O-N 3.44Å; I250-V254 WeakPolarHBondContact O-CG2 3.18Å; I250-V254 PolarHBondContact O-N 2.92Å; I250-K304 HydrophobicContact CD1-CB 4.17Å; I250-K304 HydrophobicContact CG1-CB 4.06Å; I250-L305 HydrophobicContact CD1-CB 4.45Å; I250-L305 HydrophobicContact CD1-CD2 3.95Å; I250-L305 HydrophobicContact CD1-CG 3.84Å; I250-L305 HydrophobicContact CG1-CG 4.18Å; I250-L305 HydrophobicContact CG2-CD2 4.26Å; I250-L305 HydrophobicContact CG2-CG 4.44Å; I250-A308 HydrophobicContact CD1-CB 4.47Å; I250-L331 HydrophobicContact CD1-CD2 4.14Å; I250-P334 HydrophobicContact CG2-CB 3.86Å; I250-P334 HydrophobicContact CG2-CG 4.44Å
251	E	90.4	Very high	89.8	Confident	140 Å²	140	43.8 Å²	43.8	65%	0.654	23%	0.226	S	C	*	.	H	α-helix	trans	-62.6	-45.2	177.1	-175.3	177.5	-171.1	0	0	111	L247 D248 F253 V254 A255	L247-E251 PolarHBondContact O-N 2.89Å; D248-E251 PolarHBondContact O-N 2.88Å; E251-F253 VanDerWaalsContact C-N 3.29Å; E251-F253 PolarHBondContact O-N 3.17Å; E251-V254 PolarHBondContact O-N 2.86Å; E251-A255 VanDerWaalsContact O-CB 3.32Å; E251-A255 WeakPolarHBondContact O-CB 3.35Å; E251-A255 PolarHBondContact O-N 2.98Å
252	I	86	Confident	89.7	Confident	83 Å²	83	45.6 Å²	45.6	43%	0.426	24%	0.235	S	C	.	.	H	α-helix	trans	-59.3	-40.5	175.4	-69.7	164.5	0	0	0	111.1	D248 R256	D248-I252 WeakPolarHBondContact O-CB 3.35Å; D248-I252 WeakPolarHBondContact O-CD1 3.47Å; D248-I252 VanDerWaalsContact O-CG1 3.22Å; D248-I252 WeakPolarHBondContact O-CG1 3.43Å; D248-I252 PolarHBondContact O-N 2.69Å; I252-R256 PolarHBondContact O-N 2.83Å; I252-R256 VanDerWaalsContact O-N 3.11Å
253	F	92.8	Very high	89.4	Confident	17 Å²	17	45.7 Å²	45.7	8%	0.075	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-49	176.1	-174	-98.9	0	0	0	112	D249 I250 E251 A255 R256 L257 P293 E297 F298 S301 V338	D249-F253 WeakPolarHBondContact O-CB 3.28Å; D249-F253 PolarHBondContact O-N 2.67Å; I250-F253 PolarHBondContact O-N 3.44Å; E251-F253 VanDerWaalsContact C-N 3.29Å; E251-F253 PolarHBondContact O-N 3.17Å; F253-A255 PolarHBondContact O-N 3.09Å; F253-R256 PolarHBondContact O-N 3.05Å; F253-L257 HydrophobicContact CE1-CD2 4.28Å; F253-L257 WeakPolarHBondContact O-CB 3.35Å; F253-L257 PolarHBondContact O-N 2.82Å; F253-P293 HydrophobicContact CE2-CB 3.54Å; F253-P293 HydrophobicContact CE2-CG 3.82Å; F253-P293 HydrophobicContact CZ-CB 3.83Å; F253-P293 HydrophobicContact CZ-CG 3.94Å; F253-E297 HydrophobicContact CD2-CB 4.45Å; F253-E297 HydrophobicContact CE2-CB 3.78Å; F253-E297 WeakPolarHBondContact CE2-O 3.37Å; F253-F298 AromaticContact CE1-CD1 3.96Å; F253-F298 HydrophobicContact CE1-CD1 3.96Å; F253-F298 HydrophobicContact CE1-CE1 4.13Å; F253-F298 HydrophobicContact CZ-CB 4.45Å; F253-F298 AromaticContact CZ-CD1 3.66Å; F253-F298 HydrophobicContact CZ-CD1 3.66Å; F253-F298 HydrophobicContact CZ-CD2 4.37Å; F253-F298 AromaticContact CZ-CE1 3.95Å; F253-F298 HydrophobicContact CZ-CE1 3.95Å; F253-F298 AromaticContact CZ-CG 3.9Å; F253-F298 HydrophobicContact CZ-CG 3.9Å; F253-F298 HydrophobicContact CZ-CZ 4.43Å; F253-S301 VanDerWaalsContact CD1-OG 3.23Å; F253-S301 WeakPolarHBondContact CD1-OG 3.33Å; F253-V338 HydrophobicContact CD1-CG2 4.08Å; F253-V338 HydrophobicContact CE1-CG2 3.91Å
254	V	92.4	Very high	89	Confident	18 Å²	18	51.1 Å²	51.1	11%	0.109	26%	0.26	C	S	.	.	H	α-helix	trans	-57.8	-46.3	176.3	162.2	0	0	0	0	111.6	I250 E251 R256 L257 Q258 P334 L337	I250-V254 WeakPolarHBondContact O-CG2 3.18Å; I250-V254 PolarHBondContact O-N 2.92Å; E251-V254 PolarHBondContact O-N 2.86Å; V254-R256 VanDerWaalsContact C-N 3.31Å; V254-R256 PolarHBondContact O-N 2.78Å; V254-L257 WeakPolarHBondContact O-CB 3.39Å; V254-L257 PolarHBondContact O-N 2.83Å; V254-L257 VanDerWaalsContact O-N 3.13Å; V254-Q258 WeakPolarHBondContact O-CG 3.28Å; V254-Q258 PolarHBondContact O-N 3.06Å; V254-P334 HydrophobicContact CG2-CB 3.77Å; V254-P334 HydrophobicContact CG2-CG 4.38Å; V254-L337 HydrophobicContact CG1-CD2 3.85Å
255	A	88.4	Confident	88.7	Confident	29 Å²	29	54.5 Å²	54.5	24%	0.24	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-35	179.4	0	0	0	0	0	112.2	E251 F253 K259	E251-A255 VanDerWaalsContact O-CB 3.32Å; E251-A255 WeakPolarHBondContact O-CB 3.35Å; E251-A255 PolarHBondContact O-N 2.98Å; F253-A255 PolarHBondContact O-N 3.09Å; A255-K259 WeakPolarHBondContact O-CB 3.36Å; A255-K259 VanDerWaalsContact O-CD 3.29Å; A255-K259 WeakPolarHBondContact O-CD 3.36Å; A255-K259 WeakPolarHBondContact O-CG 3.28Å; A255-K259 PolarHBondContact O-N 3Å
256	R	87.3	Confident	88.3	Confident	80 Å²	80	58.3 Å²	58.3	30%	0.302	28%	0.284	S	S	.	.	H	α-helix	trans	-70.5	-40.3	171.3	173.9	170.8	159.8	-152.1	-9	112.1	I252 F253 V254 Q258 K259 A260 E297	I252-R256 PolarHBondContact O-N 2.83Å; I252-R256 VanDerWaalsContact O-N 3.11Å; F253-R256 PolarHBondContact O-N 3.05Å; V254-R256 VanDerWaalsContact C-N 3.31Å; V254-R256 PolarHBondContact O-N 2.78Å; R256-Q258 PolarHBondContact O-N 2.97Å; R256-K259 PolarHBondContact O-N 2.79Å; R256-A260 WeakPolarHBondContact O-CB 3.35Å; R256-A260 PolarHBondContact O-N 3.24Å; R256-E297 IonicContact CZ-OE1 2.66Å; R256-E297 IonicContact CZ-OE2 3.28Å; R256-E297 IonicContact NH1-OE1 3.06Å; R256-E297 PolarHBondContact NH1-OE1 2.59Å; R256-E297 IonicContact NH1-OE2 2.66Å; R256-E297 IonicContact NH2-OE1 2.93Å; R256-E297 PolarHBondContact NH2-OE1 2.93Å; R256-E297 IonicContact NH2-OE2 3.86Å; R256-E297 PolarHBondContact NH2-OE2 3.38Å
257	L	90.5	Very high	87.6	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-45	179.6	-166	64	0	0	0	111.3	F253 V254 A260 A261 P293 F298 L337 V338 T341	F253-L257 HydrophobicContact CE1-CD2 4.28Å; F253-L257 WeakPolarHBondContact O-CB 3.35Å; F253-L257 PolarHBondContact O-N 2.82Å; V254-L257 WeakPolarHBondContact O-CB 3.39Å; V254-L257 PolarHBondContact O-N 2.83Å; V254-L257 VanDerWaalsContact O-N 3.13Å; L257-A260 PolarHBondContact O-N 3.12Å; L257-A261 PolarHBondContact O-N 3.18Å; L257-A261 VanDerWaalsContact O-N 3.14Å; L257-P293 HydrophobicContact CD1-CG 3.88Å; L257-F298 HydrophobicContact CD1-CE1 3.98Å; L257-F298 HydrophobicContact CD1-CZ 3.7Å; L257-F298 HydrophobicContact CD2-CE1 4.46Å; L257-L337 HydrophobicContact CD2-CD2 4.08Å; L257-L337 HydrophobicContact CD2-CG 4Å; L257-V338 HydrophobicContact CD2-CG2 4.15Å; L257-T341 HydrophobicContact CD1-CG2 3.6Å; L257-T341 HydrophobicContact CG-CG2 4.17Å
258	Q	89.6	Confident	87.1	Confident	99 Å²	99	59.9 Å²	59.9	46%	0.463	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-49.4	173.4	-67.8	174.6	-11.8	0	0	112	V254 R256 A260 A261 E262 L337	V254-Q258 WeakPolarHBondContact O-CG 3.28Å; V254-Q258 PolarHBondContact O-N 3.06Å; R256-Q258 PolarHBondContact O-N 2.97Å; Q258-A260 VanDerWaalsContact C-N 3.29Å; Q258-A260 PolarHBondContact O-N 2.93Å; Q258-A261 PolarHBondContact O-N 3.3Å; Q258-A261 VanDerWaalsContact O-N 3.15Å; Q258-E262 PolarHBondContact O-N 2.96Å; Q258-L337 HydrophobicContact CG-CD2 3.72Å
259	K	85.7	Confident	86.8	Confident	77 Å²	77	60.9 Å²	60.9	34%	0.335	30%	0.295	S	S	.	.	H	α-helix	trans	-60.4	-36.3	178.6	-72.7	167.1	-172.8	175.4	0	112.8	W86 A255 R256 E262 A263	W86-K259 HydrophobicContact CD2-CD 3.94Å; W86-K259 HydrophobicContact CE3-CD 4.31Å; W86-K259 HydrophobicContact CG-CD 4.03Å; W86-K259 HydrophobicContact CZ3-CB 4.42Å; A255-K259 WeakPolarHBondContact O-CB 3.36Å; A255-K259 VanDerWaalsContact O-CD 3.29Å; A255-K259 WeakPolarHBondContact O-CD 3.36Å; A255-K259 WeakPolarHBondContact O-CG 3.28Å; A255-K259 PolarHBondContact O-N 3Å; R256-K259 PolarHBondContact O-N 2.79Å; K259-E262 PolarHBondContact O-N 2.95Å; K259-A263 VanDerWaalsContact O-CB 3.32Å; K259-A263 WeakPolarHBondContact O-CB 3.47Å; K259-A263 PolarHBondContact O-N 3.3Å
260	A	87.3	Confident	86	Confident	7 Å²	7	64.8 Å²	64.8	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-43.2	175.3	0	0	0	0	0	111.9	R256 L257 Q258 A263 F264 R289	R256-A260 WeakPolarHBondContact O-CB 3.35Å; R256-A260 PolarHBondContact O-N 3.24Å; L257-A260 PolarHBondContact O-N 3.12Å; Q258-A260 VanDerWaalsContact C-N 3.29Å; Q258-A260 PolarHBondContact O-N 2.93Å; A260-A263 PolarHBondContact O-N 2.93Å; A260-F264 VanDerWaalsContact O-CB 3.3Å; A260-F264 WeakPolarHBondContact O-CB 3.17Å; A260-F264 PolarHBondContact O-N 3.17Å; A260-R289 WeakPolarHBondContact CA-O 3.46Å
261	A	86.3	Confident	84.9	Confident	57 Å²	57	68.2 Å²	68.2	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-63.5	-41.9	174.5	0	0	0	0	0	112.4	L257 Q258 F264 Y265	L257-A261 PolarHBondContact O-N 3.18Å; L257-A261 VanDerWaalsContact O-N 3.14Å; Q258-A261 PolarHBondContact O-N 3.3Å; Q258-A261 VanDerWaalsContact O-N 3.15Å; A261-F264 PolarHBondContact O-N 3.17Å; A261-Y265 WeakPolarHBondContact O-CB 3.34Å; A261-Y265 PolarHBondContact O-N 2.75Å
262	E	85.9	Confident	84	Confident	122 Å²	122	70 Å²	70	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-61.8	-46.6	174	-73.2	-174.8	180	0	0	112.3	Q258 K259 Y265 Q266	Q258-E262 PolarHBondContact O-N 2.96Å; K259-E262 PolarHBondContact O-N 2.95Å; E262-Y265 PolarHBondContact O-N 2.78Å; E262-Q266 WeakPolarHBondContact O-CG 3.36Å; E262-Q266 PolarHBondContact O-N 3.43Å
263	A	83.8	Confident	83	Confident	6 Å²	6	70.7 Å²	70.7	5%	0.05	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-42.1	177.5	0	0	0	0	0	111.6	K259 A260 Y265 Q266 L267 L286 R289 A290	K259-A263 VanDerWaalsContact O-CB 3.32Å; K259-A263 WeakPolarHBondContact O-CB 3.47Å; K259-A263 PolarHBondContact O-N 3.3Å; A260-A263 PolarHBondContact O-N 2.93Å; A263-Y265 PolarHBondContact O-N 2.97Å; A263-Q266 PolarHBondContact O-N 2.91Å; A263-L267 WeakPolarHBondContact O-CB 3.36Å; A263-L267 PolarHBondContact O-N 3.16Å; A263-L286 HydrophobicContact CB-CD1 3.92Å; A263-R289 HydrophobicContact CB-CB 3.97Å; A263-R289 WeakPolarHBondContact CB-O 3.41Å; A263-A290 HydrophobicContact CB-CB 4.03Å
264	F	82.7	Confident	81.6	Confident	116 Å²	116	72.5 Å²	72.5	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-38.9	174.9	-176.5	-104.4	0	0	0	112.3	A260 A261 L267 N268 A290	A260-F264 VanDerWaalsContact O-CB 3.3Å; A260-F264 WeakPolarHBondContact O-CB 3.17Å; A260-F264 PolarHBondContact O-N 3.17Å; A261-F264 PolarHBondContact O-N 3.17Å; F264-L267 PolarHBondContact O-N 2.84Å; F264-N268 WeakPolarHBondContact CD1-ND2 3.42Å; F264-N268 WeakPolarHBondContact CE1-ND2 3.46Å; F264-N268 VanDerWaalsContact CZ-ND2 3.28Å; F264-N268 WeakPolarHBondContact CZ-ND2 3.09Å; F264-N268 WeakPolarHBondContact O-CB 3.47Å; F264-N268 PolarHBondContact O-N 3.25Å; F264-N268 PolarHBondContact O-ND2 2.86Å; F264-A290 HydrophobicContact CB-CB 3.97Å; F264-A290 HydrophobicContact CD2-CB 4.43Å
265	Y	82.4	Confident	79.7	Confident	150 Å²	150	81.1 Å²	81.1	59%	0.588	39%	0.389	S	S	*	.	H	α-helix	trans	-65.7	-42.3	174.5	-177.5	-118.2	0	0	0	112.2	A261 E262 A263 N268 Q269	A261-Y265 WeakPolarHBondContact O-CB 3.34Å; A261-Y265 PolarHBondContact O-N 2.75Å; E262-Y265 PolarHBondContact O-N 2.78Å; A263-Y265 PolarHBondContact O-N 2.97Å; Y265-N268 PolarHBondContact O-N 3.43Å; Y265-Q269 PolarHBondContact O-N 2.93Å; Y265-Q269 VanDerWaalsContact O-N 3.11Å
266	Q	81.9	Confident	77.9	Confident	90 Å²	90	87.9 Å²	87.9	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-43.5	174.8	-70.3	175.2	51.9	0	0	112.3	E262 A263 N268 Q269 R270 L286	E262-Q266 WeakPolarHBondContact O-CG 3.36Å; E262-Q266 PolarHBondContact O-N 3.43Å; A263-Q266 PolarHBondContact O-N 2.91Å; Q266-N268 VanDerWaalsContact C-N 3.34Å; Q266-N268 PolarHBondContact O-N 2.84Å; Q266-Q269 PolarHBondContact O-N 2.88Å; Q266-R270 PolarHBondContact O-N 2.83Å; Q266-R270 VanDerWaalsContact O-N 3.08Å; Q266-L286 HydrophobicContact CB-CD1 4.36Å; Q266-L286 HydrophobicContact CB-CD2 4.35Å
267	L	80.7	Confident	76.5	Confident	19 Å²	19	92 Å²	92	10%	0.099	44%	0.442	C	S	.	.	H	α-helix	trans	-58.6	-45.5	175.9	-169.5	73.2	0	0	0	111	A263 F264 Q269 R270 N271 E283 L286 A290	A263-L267 WeakPolarHBondContact O-CB 3.36Å; A263-L267 PolarHBondContact O-N 3.16Å; F264-L267 PolarHBondContact O-N 2.84Å; L267-Q269 PolarHBondContact O-N 2.79Å; L267-R270 PolarHBondContact O-N 2.87Å; L267-N271 VanDerWaalsContact O-CG 3.31Å; L267-N271 PolarHBondContact O-N 3.27Å; L267-E283 HydrophobicContact CD1-CG 4.02Å; L267-L286 HydrophobicContact CB-CD2 4.23Å; L267-L286 HydrophobicContact CB-CG 4.34Å; L267-L286 HydrophobicContact CD1-CB 4.47Å; L267-L286 HydrophobicContact CD1-CD2 4.02Å; L267-L286 HydrophobicContact CD1-CG 4.11Å; L267-A290 HydrophobicContact CD2-CB 4.13Å
268	N	79.8	Confident	75.2	Confident	54 Å²	54	99 Å²	99	29%	0.289	47%	0.472	S	S	.	.	H	α-helix	trans	-66.1	-32.5	178.2	-81.2	-63.2	0	0	0	113.7	F264 Y265 Q266 N271 K272	F264-N268 WeakPolarHBondContact CD1-ND2 3.42Å; F264-N268 WeakPolarHBondContact CE1-ND2 3.46Å; F264-N268 VanDerWaalsContact CZ-ND2 3.28Å; F264-N268 WeakPolarHBondContact CZ-ND2 3.09Å; F264-N268 WeakPolarHBondContact O-CB 3.47Å; F264-N268 PolarHBondContact O-N 3.25Å; F264-N268 PolarHBondContact O-ND2 2.86Å; Y265-N268 PolarHBondContact O-N 3.43Å; Q266-N268 VanDerWaalsContact C-N 3.34Å; Q266-N268 PolarHBondContact O-N 2.84Å; N268-N271 PolarHBondContact O-N 2.9Å; N268-K272 WeakPolarHBondContact O-CB 3.38Å; N268-K272 VanDerWaalsContact O-CG 3.3Å; N268-K272 WeakPolarHBondContact O-CG 3.46Å; N268-K272 PolarHBondContact O-N 2.88Å
269	Q	81.3	Confident	73.9	Confident	98 Å²	98	100 Å²	100	46%	0.458	48%	0.475	S	S	.	.	H	α-helix	trans	-67	-42.3	171.7	-73	-176.3	71.9	0	0	112.2	Y265 Q266 L267 N271 K272 S273	Y265-Q269 PolarHBondContact O-N 2.93Å; Y265-Q269 VanDerWaalsContact O-N 3.11Å; Q266-Q269 PolarHBondContact O-N 2.88Å; L267-Q269 PolarHBondContact O-N 2.79Å; Q269-N271 VanDerWaalsContact C-N 3.33Å; Q269-N271 PolarHBondContact O-N 3.41Å; Q269-K272 PolarHBondContact O-N 2.94Å; Q269-S273 PolarHBondContact O-N 3.38Å; Q269-S273 PolarHBondContact O-OG 2.77Å
270	R	74.7	Confident	72.9	Confident	91 Å²	91	97 Å²	97	34%	0.343	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-40.2	173.9	-69.4	176.8	174.7	-154.7	-1.8	111.6	Q266 L267 S273 K274 P281	Q266-R270 PolarHBondContact O-N 2.83Å; Q266-R270 VanDerWaalsContact O-N 3.08Å; L267-R270 PolarHBondContact O-N 2.87Å; R270-S273 PolarHBondContact O-N 3.3Å; R270-S273 PolarHBondContact O-OG 3.28Å; R270-K274 WeakPolarHBondContact O-CB 3.29Å; R270-K274 VanDerWaalsContact O-CG 3.26Å; R270-K274 WeakPolarHBondContact O-CG 3.41Å; R270-K274 PolarHBondContact O-N 3.42Å; R270-P281 PolarHBondContact NH1-O 2.74Å
271	N	72.1	Confident	71.7	Confident	76 Å²	76	98.4 Å²	98.4	41%	0.406	47%	0.474	S	S	.	.	H	α-helix	trans	-68.7	-42.8	177.8	-68.8	-13	0	0	0	112.6	L267 N268 Q269 S273 K274	L267-N271 VanDerWaalsContact O-CG 3.31Å; L267-N271 PolarHBondContact O-N 3.27Å; N268-N271 PolarHBondContact O-N 2.9Å; Q269-N271 VanDerWaalsContact C-N 3.33Å; Q269-N271 PolarHBondContact O-N 3.41Å; N271-S273 PolarHBondContact O-N 3.4Å; N271-K274 PolarHBondContact O-N 3.21Å; N271-K274 VanDerWaalsContact O-N 3.1Å
272	K	72.6	Confident	70.8	Confident	177 Å²	177	96.3 Å²	96.3	77%	0.77	46%	0.457	S	S	*	.	H	α-helix	trans	-60	-29.4	176.7	-77	172.4	-179.7	178	0	113.5	N268 Q269	N268-K272 WeakPolarHBondContact O-CB 3.38Å; N268-K272 VanDerWaalsContact O-CG 3.3Å; N268-K272 WeakPolarHBondContact O-CG 3.46Å; N268-K272 PolarHBondContact O-N 2.88Å; Q269-K272 PolarHBondContact O-N 2.94Å
273	S	64.9	Low	70.3	Confident	97 Å²	97	91.5 Å²	91.5	68%	0.678	43%	0.434	S	S	*	.	H	α-helix	trans	-88.2	-14.6	177.8	45.7	0	0	0	0	113.9	Q269 R270 N271	Q269-S273 PolarHBondContact O-N 3.38Å; Q269-S273 PolarHBondContact O-OG 2.77Å; R270-S273 PolarHBondContact O-N 3.3Å; R270-S273 PolarHBondContact O-OG 3.28Å; N271-S273 PolarHBondContact O-N 3.4Å
274	K	62.3	Low	70	Confident	55 Å²	55	91.3 Å²	91.3	24%	0.239	43%	0.433	C	S	.	.			trans	-106.8	60	-177.3	-72.3	179.4	169.8	-163.6	0	113.5	R270 N271 N276 K277 K278 E283	R270-K274 WeakPolarHBondContact O-CB 3.29Å; R270-K274 VanDerWaalsContact O-CG 3.26Å; R270-K274 WeakPolarHBondContact O-CG 3.41Å; R270-K274 PolarHBondContact O-N 3.42Å; N271-K274 PolarHBondContact O-N 3.21Å; N271-K274 VanDerWaalsContact O-N 3.1Å; K274-N276 PolarHBondContact O-N 2.91Å; K274-K277 HydrophobicContact CG-CB 4.45Å; K274-K278 PolarHBondContact NZ-O 2.85Å; K274-E283 IonicContact NZ-OE1 3.27Å; K274-E283 IonicContact NZ-OE2 2.76Å; K274-E283 PolarHBondContact NZ-OE2 3.33Å
275	K	53.1	Low	69.9	Low	199 Å²	199	85.9 Å²	85.9	87%	0.865	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	0.9	-178.3	-139	-179.1	-175.4	-177.9	0	116
276	N	50.9	Low	69.7	Low	172 Å²	172	79.6 Å²	79.6	92%	0.92	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-170.8	43	172.2	-100.9	-21.5	0	0	0	113.1	K274	K274-N276 PolarHBondContact O-N 2.91Å
277	K	58.2	Low	69.8	Low	167 Å²	167	78.4 Å²	78.4	73%	0.726	39%	0.385	S	S	*	.			trans	-132.7	150	176.7	-79.4	-163.3	174	-167.4	0	112.9	K274	K274-K277 HydrophobicContact CG-CB 4.45Å
278	K	62	Low	69.8	Low	151 Å²	151	78.7 Å²	78.7	66%	0.657	39%	0.386	S	S	*	.			trans	-62.4	172.2	-176	-149.1	-175.4	-179.4	-166.2	0	113.3	K274	K274-K278 PolarHBondContact NZ-O 2.85Å
279	K	63.2	Low	70.1	Confident	119 Å²	119	78 Å²	78	52%	0.517	38%	0.38	S	S	.	.			trans	-45.9	139.8	168.9	-80.8	-170.3	174.3	-175.4	0	110.8	L110 E283	L110-K279 PolarHBondContact O-NZ 3.1Å; K279-E283 WeakPolarHBondContact CA-OE1 3.49Å; K279-E283 HydrophobicContact CB-CB 4.36Å
280	G	63.8	Low	70.2	Confident	13 Å²	13	73.8 Å²	73.8	13%	0.134	36%	0.361	C	S	.	.			trans	-107.7	-174.1	-178.6	0	0	0	0	0	113.5	A282 E283	G280-A282 PolarHBondContact O-N 2.91Å; G280-A282 VanDerWaalsContact O-N 3.13Å; G280-E283 PolarHBondContact N-OE2 2.85Å; G280-E283 VanDerWaalsContact O-CB 3.28Å; G280-E283 WeakPolarHBondContact O-CB 3.36Å; G280-E283 PolarHBondContact O-N 3.27Å
281	P	63.1	Low	70.6	Confident	38 Å²	38	75.8 Å²	75.8	25%	0.247	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.7	115.5	175.2	-32.4	35.5	0	0	0	113.5	V59 D147 R270 E283	V59-P281 HydrophobicContact CG2-CG 4.5Å; D147-P281 WeakPolarHBondContact OD1-CB 3.16Å; D147-P281 WeakPolarHBondContact OD1-CG 3.39Å; D147-P281 VanDerWaalsContact OD2-CB 3.24Å; D147-P281 WeakPolarHBondContact OD2-CB 3.43Å; D147-P281 VanDerWaalsContact OD2-CG 3.28Å; D147-P281 WeakPolarHBondContact OD2-CG 3.27Å; R270-P281 PolarHBondContact NH1-O 2.74Å; P281-E283 PolarHBondContact O-N 3.31Å; P281-E283 VanDerWaalsContact O-N 3.17Å
282	A	67.8	Low	71.1	Confident	13 Å²	13	76 Å²	76	11%	0.107	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	32.2	178.7	0	0	0	0	0	114.7	T57 E111 G280 M285 L286	T57-A282 HydrophobicContact CG2-CB 3.9Å; E111-A282 WeakPolarHBondContact OE1-CA 3.22Å; G280-A282 PolarHBondContact O-N 2.91Å; G280-A282 VanDerWaalsContact O-N 3.13Å; A282-M285 HydrophobicContact CB-CB 4.32Å; A282-M285 HydrophobicContact CB-CE 3.5Å; A282-M285 PolarHBondContact O-N 2.86Å; A282-L286 VanDerWaalsContact O-CB 3.3Å; A282-L286 WeakPolarHBondContact O-CB 3.25Å; A282-L286 PolarHBondContact O-N 2.94Å
283	E	74.2	Confident	71.8	Confident	20 Å²	20	68 Å²	68	9%	0.093	34%	0.34	C	S	.	.	H	α-helix	trans	-72.8	-31.8	-176.4	-168.5	165.8	113.7	0	0	113.8	E111 L267 K274 K279 G280 P281 L286 T287	E111-E283 PolarHBondContact OE1-N 2.98Å; L267-E283 HydrophobicContact CD1-CG 4.02Å; K274-E283 IonicContact NZ-OE1 3.27Å; K274-E283 IonicContact NZ-OE2 2.76Å; K274-E283 PolarHBondContact NZ-OE2 3.33Å; K279-E283 WeakPolarHBondContact CA-OE1 3.49Å; K279-E283 HydrophobicContact CB-CB 4.36Å; G280-E283 PolarHBondContact N-OE2 2.85Å; G280-E283 VanDerWaalsContact O-CB 3.28Å; G280-E283 WeakPolarHBondContact O-CB 3.36Å; G280-E283 PolarHBondContact O-N 3.27Å; P281-E283 PolarHBondContact O-N 3.31Å; P281-E283 VanDerWaalsContact O-N 3.17Å; E283-L286 PolarHBondContact O-N 3.23Å; E283-T287 WeakPolarHBondContact O-CB 3.47Å; E283-T287 PolarHBondContact O-N 2.88Å; E283-T287 PolarHBondContact O-OG1 3.22Å
284	G	77.5	Confident	72.8	Confident	3 Å²	3	66.1 Å²	66.1	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-69.2	-42.2	169.6	0	0	0	0	0	112	L110 E111 L286 T287 L288	L110-G284 WeakPolarHBondContact O-CA 3.35Å; E111-G284 WeakPolarHBondContact OE1-CA 3.47Å; E111-G284 PolarHBondContact OE1-N 3.44Å; G284-L286 VanDerWaalsContact C-N 3.33Å; G284-L286 PolarHBondContact O-N 2.94Å; G284-T287 WeakPolarHBondContact O-CB 3.39Å; G284-T287 PolarHBondContact O-N 2.98Å; G284-T287 VanDerWaalsContact O-N 3.15Å; G284-L288 PolarHBondContact O-N 3.43Å
285	M	80.4	Confident	74.2	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-41	171.4	-67.5	-166.5	-73.8	0	0	111.7	H54 T57 M90 L101 E111 F151 A282 T287 L288 R289	H54-M285 HydrophobicContact CB-SD 4.08Å; H54-M285 PolarHBondContact CD2-SD 3.39Å; T57-M285 WeakPolarHBondContact OG1-CE 3.44Å; M90-M285 HydrophobicContact CE-CG 4Å; M90-M285 HydrophobicContact CE-SD 3.67Å; M90-M285 HydrophobicContact SD-SD 3.99Å; L101-M285 HydrophobicContact CD1-CE 4.04Å; L101-M285 HydrophobicContact CD1-CG 4.14Å; L101-M285 HydrophobicContact CD1-SD 3.5Å; L101-M285 VanDerWaalsContact CD1-SD 3.5Å; E111-M285 HydrophobicContact CG-CG 3.99Å; E111-M285 PolarHBondContact OE1-N 3.46Å; F151-M285 HydrophobicContact CE1-SD 4.46Å; A282-M285 HydrophobicContact CB-CB 4.32Å; A282-M285 HydrophobicContact CB-CE 3.5Å; A282-M285 PolarHBondContact O-N 2.86Å; M285-T287 VanDerWaalsContact C-N 3.31Å; M285-T287 PolarHBondContact O-N 3.27Å; M285-L288 PolarHBondContact O-N 3.17Å; M285-R289 WeakPolarHBondContact O-CB 3.1Å; M285-R289 WeakPolarHBondContact O-CG 3.07Å; M285-R289 PolarHBondContact O-N 2.96Å
286	L	80.3	Confident	75.9	Confident	18 Å²	18	63.5 Å²	63.5	9%	0.094	33%	0.331	C	S	.	.	H	α-helix	trans	-65.7	-33.4	174	-175.5	63.9	0	0	0	112.1	A263 Q266 L267 A282 E283 G284 R289 A290	A263-L286 HydrophobicContact CB-CD1 3.92Å; Q266-L286 HydrophobicContact CB-CD1 4.36Å; Q266-L286 HydrophobicContact CB-CD2 4.35Å; L267-L286 HydrophobicContact CB-CD2 4.23Å; L267-L286 HydrophobicContact CB-CG 4.34Å; L267-L286 HydrophobicContact CD1-CB 4.47Å; L267-L286 HydrophobicContact CD1-CD2 4.02Å; L267-L286 HydrophobicContact CD1-CG 4.11Å; A282-L286 VanDerWaalsContact O-CB 3.3Å; A282-L286 WeakPolarHBondContact O-CB 3.25Å; A282-L286 PolarHBondContact O-N 2.94Å; E283-L286 PolarHBondContact O-N 3.23Å; G284-L286 VanDerWaalsContact C-N 3.33Å; G284-L286 PolarHBondContact O-N 2.94Å; L286-R289 PolarHBondContact O-N 3.22Å; L286-A290 WeakPolarHBondContact O-CB 3.39Å; L286-A290 PolarHBondContact O-N 3.1Å
287	T	82.1	Confident	77.8	Confident	65 Å²	65	57.8 Å²	57.8	40%	0.399	30%	0.298	S	S	.	.	H	α-helix	trans	-68.5	-45.3	176.3	-59.3	0	0	0	0	111.5	E283 G284 M285 R289 A290 R291	E283-T287 WeakPolarHBondContact O-CB 3.47Å; E283-T287 PolarHBondContact O-N 2.88Å; E283-T287 PolarHBondContact O-OG1 3.22Å; G284-T287 WeakPolarHBondContact O-CB 3.39Å; G284-T287 PolarHBondContact O-N 2.98Å; G284-T287 VanDerWaalsContact O-N 3.15Å; M285-T287 VanDerWaalsContact C-N 3.31Å; M285-T287 PolarHBondContact O-N 3.27Å; T287-R289 VanDerWaalsContact C-N 3.33Å; T287-R289 PolarHBondContact O-N 3.23Å; T287-A290 PolarHBondContact O-N 3.13Å; T287-R291 PolarHBondContact O-N 3.15Å
288	L	82.6	Confident	79.5	Confident	24 Å²	24	50.4 Å²	50.4	13%	0.126	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-45.3	172.2	178.6	61.7	0	0	0	111	Q88 L110 G284 M285 A290 R291	Q88-L288 HydrophobicContact CG-CD2 4.06Å; L110-L288 HydrophobicContact CD1-CD2 3.63Å; L110-L288 HydrophobicContact CD2-CB 3.97Å; L110-L288 HydrophobicContact CD2-CD2 4.04Å; L110-L288 HydrophobicContact CD2-CG 4.46Å; L110-L288 HydrophobicContact CG-CD2 4.49Å; G284-L288 PolarHBondContact O-N 3.43Å; M285-L288 PolarHBondContact O-N 3.17Å; L288-A290 PolarHBondContact O-N 3.34Å; L288-R291 WeakPolarHBondContact O-CB 3.47Å; L288-R291 PolarHBondContact O-N 2.6Å; L288-R291 VanDerWaalsContact O-N 3.08Å
289	R	84.2	Confident	81.1	Confident	40 Å²	40	45.4 Å²	45.4	15%	0.151	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-27.8	176.9	-72.4	178.7	166.2	-151.2	-9.4	113.4	H54 W86 A260 A263 M285 L286 T287 R291	H54-R289 PolarHBondContact ND1-NH2 3.2Å; H54-R289 VanDerWaalsContact ND1-NH2 3.14Å; H54-R289 PolarHBondContact O-NH2 2.86Å; H54-R289 VanDerWaalsContact O-NH2 3.13Å; W86-R289 HydrophobicContact CE3-CG 4.47Å; W86-R289 HydrophobicContact CH2-CB 4.03Å; W86-R289 HydrophobicContact CH2-CG 3.64Å; W86-R289 HydrophobicContact CZ3-CB 3.8Å; W86-R289 HydrophobicContact CZ3-CG 3.45Å; W86-R289 VanDerWaalsContact CZ3-CG 3.45Å; W86-R289 PolarHBondContact O-NH2 2.85Å; A260-R289 WeakPolarHBondContact CA-O 3.46Å; A263-R289 HydrophobicContact CB-CB 3.97Å; A263-R289 WeakPolarHBondContact CB-O 3.41Å; M285-R289 WeakPolarHBondContact O-CB 3.1Å; M285-R289 WeakPolarHBondContact O-CG 3.07Å; M285-R289 PolarHBondContact O-N 2.96Å; L286-R289 PolarHBondContact O-N 3.22Å; T287-R289 VanDerWaalsContact C-N 3.33Å; T287-R289 PolarHBondContact O-N 3.23Å; R289-R291 VanDerWaalsContact C-N 3.34Å
290	A	84.9	Confident	82.6	Confident	9 Å²	9	42.1 Å²	42.1	7%	0.074	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.7	175.6	0	0	0	0	0	114.1	A263 F264 L267 L286 T287 L288	A263-A290 HydrophobicContact CB-CB 4.03Å; F264-A290 HydrophobicContact CB-CB 3.97Å; F264-A290 HydrophobicContact CD2-CB 4.43Å; L267-A290 HydrophobicContact CD2-CB 4.13Å; L286-A290 WeakPolarHBondContact O-CB 3.39Å; L286-A290 PolarHBondContact O-N 3.1Å; T287-A290 PolarHBondContact O-N 3.13Å; L288-A290 PolarHBondContact O-N 3.34Å
291	R	82.8	Confident	84.1	Confident	134 Å²	134	41.7 Å²	41.7	51%	0.506	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-70.5	126.1	178.3	-170.8	175.7	176.5	169.5	-2.2	109.6	T287 L288 R289	T287-R291 PolarHBondContact O-N 3.15Å; L288-R291 WeakPolarHBondContact O-CB 3.47Å; L288-R291 PolarHBondContact O-N 2.6Å; L288-R291 VanDerWaalsContact O-N 3.08Å; R289-R291 VanDerWaalsContact C-N 3.34Å
292	P	82.4	Confident	85.7	Confident	81 Å²	81	39.9 Å²	39.9	53%	0.526	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-64	157.5	174.1	28.7	-35.1	0	0	0	110.5
293	P	87	Confident	87.1	Confident	7 Å²	7	41.2 Å²	41.2	5%	0.045	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-55.9	154.4	170.2	-23.5	35.1	0	0	0	112.3	F253 L257 E297 F298	F253-P293 HydrophobicContact CE2-CB 3.54Å; F253-P293 HydrophobicContact CE2-CG 3.82Å; F253-P293 HydrophobicContact CZ-CB 3.83Å; F253-P293 HydrophobicContact CZ-CG 3.94Å; L257-P293 HydrophobicContact CD1-CG 3.88Å; P293-E297 HydrophobicContact CB-CB 4.26Å; P293-F298 HydrophobicContact CB-CD2 4.22Å; P293-F298 HydrophobicContact CB-CE2 3.99Å; P293-F298 HydrophobicContact CG-CE2 4.4Å; P293-F298 VanDerWaalsContact O-CE2 3.31Å; P293-F298 WeakPolarHBondContact O-CE2 3.38Å
294	S	87.1	Confident	88.2	Confident	58 Å²	58	40.3 Å²	40.3	41%	0.406	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-74.1	157.9	177.8	63	0	0	0	0	111.8	A296 E297 F298	S294-A296 PolarHBondContact O-N 3.19Å; S294-E297 WeakPolarHBondContact CB-OE2 2.96Å; S294-E297 PolarHBondContact N-OE2 3.26Å; S294-E297 PolarHBondContact O-N 2.77Å; S294-E297 VanDerWaalsContact OG-CD 3.31Å; S294-E297 VanDerWaalsContact OG-CG 3.27Å; S294-E297 WeakPolarHBondContact OG-CG 3.39Å; S294-E297 PolarHBondContact OG-OE2 3.07Å; S294-F298 WeakPolarHBondContact O-CD2 3.43Å; S294-F298 PolarHBondContact O-N 2.83Å
295	E	89.9	Confident	89.2	Confident	131 Å²	131	40.2 Å²	40.2	61%	0.612	22%	0.216	S	C	*	.	H	α-helix	trans	-53.3	-39.5	178.4	-170.1	179.4	152.8	0	0	112.4	E297 F298 I299 L347	E295-E297 VanDerWaalsContact C-N 3.31Å; E295-E297 PolarHBondContact O-N 2.86Å; E295-F298 PolarHBondContact O-N 3.35Å; E295-I299 HydrophobicContact CG-CD1 4.19Å; E295-I299 VanDerWaalsContact O-CG1 3.3Å; E295-I299 WeakPolarHBondContact O-CG1 3.33Å; E295-I299 PolarHBondContact O-N 2.7Å; E295-L347 HydrophobicContact CG-CD1 3.5Å; E295-L347 VanDerWaalsContact CG-CD1 3.5Å; E295-L347 HydrophobicContact CG-CD2 3.96Å; E295-L347 HydrophobicContact CG-CG 4.39Å
296	A	90.4	Very high	90	Very high	68 Å²	68	40.1 Å²	40.1	56%	0.562	22%	0.216	S	C	*	.	H	α-helix	trans	-63.9	-32.7	176.2	0	0	0	0	0	113.4	S294 D300	S294-A296 PolarHBondContact O-N 3.19Å; A296-D300 WeakPolarHBondContact O-CB 3.49Å; A296-D300 PolarHBondContact O-N 3.37Å
297	E	91	Very high	90.8	Very high	52 Å²	52	39.3 Å²	39.3	24%	0.243	21%	0.211	C	C	.	.	H	α-helix	trans	-80	-34	177.9	-62.5	169.6	112.5	0	0	111.6	F253 R256 P293 S294 E295 S301	F253-E297 HydrophobicContact CD2-CB 4.45Å; F253-E297 HydrophobicContact CE2-CB 3.78Å; F253-E297 WeakPolarHBondContact CE2-O 3.37Å; R256-E297 IonicContact CZ-OE1 2.66Å; R256-E297 IonicContact CZ-OE2 3.28Å; R256-E297 IonicContact NH1-OE1 3.06Å; R256-E297 PolarHBondContact NH1-OE1 2.59Å; R256-E297 IonicContact NH1-OE2 2.66Å; R256-E297 IonicContact NH2-OE1 2.93Å; R256-E297 PolarHBondContact NH2-OE1 2.93Å; R256-E297 IonicContact NH2-OE2 3.86Å; R256-E297 PolarHBondContact NH2-OE2 3.38Å; P293-E297 HydrophobicContact CB-CB 4.26Å; S294-E297 WeakPolarHBondContact CB-OE2 2.96Å; S294-E297 PolarHBondContact N-OE2 3.26Å; S294-E297 PolarHBondContact O-N 2.77Å; S294-E297 VanDerWaalsContact OG-CD 3.31Å; S294-E297 VanDerWaalsContact OG-CG 3.27Å; S294-E297 WeakPolarHBondContact OG-CG 3.39Å; S294-E297 PolarHBondContact OG-OE2 3.07Å; E295-E297 VanDerWaalsContact C-N 3.31Å; E295-E297 PolarHBondContact O-N 2.86Å; E297-S301 WeakPolarHBondContact O-CB 3.28Å; E297-S301 PolarHBondContact O-N 3.11Å
298	F	93.7	Very high	91.6	Very high	12 Å²	12	36.2 Å²	36.2	5%	0.053	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-47.5	167	-84.1	-75	0	0	0	111.2	F253 L257 P293 S294 E295 S301 L302 V338 T341 C342 L347	F253-F298 AromaticContact CE1-CD1 3.96Å; F253-F298 HydrophobicContact CE1-CD1 3.96Å; F253-F298 HydrophobicContact CE1-CE1 4.13Å; F253-F298 HydrophobicContact CZ-CB 4.45Å; F253-F298 AromaticContact CZ-CD1 3.66Å; F253-F298 HydrophobicContact CZ-CD1 3.66Å; F253-F298 HydrophobicContact CZ-CD2 4.37Å; F253-F298 AromaticContact CZ-CE1 3.95Å; F253-F298 HydrophobicContact CZ-CE1 3.95Å; F253-F298 AromaticContact CZ-CG 3.9Å; F253-F298 HydrophobicContact CZ-CG 3.9Å; F253-F298 HydrophobicContact CZ-CZ 4.43Å; L257-F298 HydrophobicContact CD1-CE1 3.98Å; L257-F298 HydrophobicContact CD1-CZ 3.7Å; L257-F298 HydrophobicContact CD2-CE1 4.46Å; P293-F298 HydrophobicContact CB-CD2 4.22Å; P293-F298 HydrophobicContact CB-CE2 3.99Å; P293-F298 HydrophobicContact CG-CE2 4.4Å; P293-F298 VanDerWaalsContact O-CE2 3.31Å; P293-F298 WeakPolarHBondContact O-CE2 3.38Å; S294-F298 WeakPolarHBondContact O-CD2 3.43Å; S294-F298 PolarHBondContact O-N 2.83Å; E295-F298 PolarHBondContact O-N 3.35Å; F298-S301 PolarHBondContact O-N 3.35Å; F298-L302 WeakPolarHBondContact O-CB 3.4Å; F298-L302 WeakPolarHBondContact O-CD1 3.48Å; F298-L302 WeakPolarHBondContact O-CG 3.48Å; F298-L302 PolarHBondContact O-N 2.85Å; F298-V338 HydrophobicContact CD1-CG1 4Å; F298-V338 HydrophobicContact CE1-CG1 4.36Å; F298-T341 HydrophobicContact CZ-CG2 4.32Å; F298-C342 WeakPolarHBondContact CD1-SG 3.27Å; F298-L347 HydrophobicContact CB-CD2 4.13Å
299	I	94.1	Very high	92.3	Very high	46 Å²	46	35.2 Å²	35.2	24%	0.236	19%	0.187	C	C	.	.	H	α-helix	trans	-58.9	-53.5	175.2	-68.7	164.3	0	0	0	110.1	E295 S301 L302 Q303 L347 V351	E295-I299 HydrophobicContact CG-CD1 4.19Å; E295-I299 VanDerWaalsContact O-CG1 3.3Å; E295-I299 WeakPolarHBondContact O-CG1 3.33Å; E295-I299 PolarHBondContact O-N 2.7Å; I299-S301 VanDerWaalsContact C-N 3.33Å; I299-S301 PolarHBondContact O-N 3.48Å; I299-L302 CarbonylContact O-C 3.59Å; I299-L302 WeakPolarHBondContact O-CA 3.44Å; I299-L302 WeakPolarHBondContact O-CB 3.48Å; I299-L302 PolarHBondContact O-N 2.96Å; I299-Q303 HydrophobicContact CG2-CG 4.04Å; I299-Q303 VanDerWaalsContact O-CG 3.32Å; I299-Q303 WeakPolarHBondContact O-CG 3.41Å; I299-Q303 PolarHBondContact O-N 3.14Å; I299-L347 HydrophobicContact CD1-CD1 3.95Å; I299-L347 HydrophobicContact CG1-CD1 3.82Å; I299-V351 HydrophobicContact CG1-CG2 4.36Å
300	D	94.6	Very high	93	Very high	51 Å²	51	33.3 Å²	33.3	27%	0.273	18%	0.18	S	C	.	.	H	α-helix	trans	-55.3	-44.3	-179.2	177.2	60.6	0	0	0	112.8	A296 L302 Q303 K304	A296-D300 WeakPolarHBondContact O-CB 3.49Å; A296-D300 PolarHBondContact O-N 3.37Å; D300-L302 PolarHBondContact O-N 2.79Å; D300-Q303 PolarHBondContact O-N 3.09Å; D300-K304 WeakPolarHBondContact O-CB 3.27Å; D300-K304 WeakPolarHBondContact O-CG 3.38Å; D300-K304 PolarHBondContact O-N 2.86Å; D300-K304 IonicContact OD1-NZ 3.58Å; D300-K304 PolarHBondContact OD1-NZ 3.24Å; D300-K304 IonicContact OD2-NZ 3.63Å; D300-K304 PolarHBondContact OD2-NZ 3.42Å
301	S	96.3	Very high	93.5	Very high	3 Å²	3	33 Å²	33	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-41.3	175.2	-173.9	0	0	0	0	112.6	F253 E297 F298 I299 K304 L305	F253-S301 VanDerWaalsContact CD1-OG 3.23Å; F253-S301 WeakPolarHBondContact CD1-OG 3.33Å; E297-S301 WeakPolarHBondContact O-CB 3.28Å; E297-S301 PolarHBondContact O-N 3.11Å; F298-S301 PolarHBondContact O-N 3.35Å; I299-S301 VanDerWaalsContact C-N 3.33Å; I299-S301 PolarHBondContact O-N 3.48Å; S301-K304 PolarHBondContact O-N 2.83Å; S301-L305 WeakPolarHBondContact O-CG 3.29Å; S301-L305 PolarHBondContact O-N 3.48Å
302	L	96.6	Very high	94.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.9	-37.7	176	-69.6	166.2	0	0	0	112.4	F298 I299 D300 L305 K306 L335 V338 V348 V351 W383	F298-L302 WeakPolarHBondContact O-CB 3.4Å; F298-L302 WeakPolarHBondContact O-CD1 3.48Å; F298-L302 WeakPolarHBondContact O-CG 3.48Å; F298-L302 PolarHBondContact O-N 2.85Å; I299-L302 CarbonylContact O-C 3.59Å; I299-L302 WeakPolarHBondContact O-CA 3.44Å; I299-L302 WeakPolarHBondContact O-CB 3.48Å; I299-L302 PolarHBondContact O-N 2.96Å; D300-L302 PolarHBondContact O-N 2.79Å; L302-L305 HydrophobicContact CD2-CD1 4.16Å; L302-L305 WeakPolarHBondContact O-CB 3.45Å; L302-L305 PolarHBondContact O-N 2.9Å; L302-K306 WeakPolarHBondContact O-CG 3.25Å; L302-K306 PolarHBondContact O-N 3.48Å; L302-K306 VanDerWaalsContact O-N 3.07Å; L302-L335 HydrophobicContact CD2-CD1 4.08Å; L302-V338 HydrophobicContact CD1-CG1 4.47Å; L302-V338 HydrophobicContact CD2-CG1 3.76Å; L302-V338 HydrophobicContact CG-CG1 4.08Å; L302-V348 HydrophobicContact CD1-CB 4.3Å; L302-V348 HydrophobicContact CD1-CG1 4.12Å; L302-V348 HydrophobicContact CD1-CG2 3.99Å; L302-V348 HydrophobicContact CD2-CG1 4.1Å; L302-V351 HydrophobicContact CB-CB 4.44Å; L302-V351 HydrophobicContact CB-CG1 4.07Å; L302-V351 HydrophobicContact CB-CG2 4.08Å; L302-V351 HydrophobicContact CD1-CG2 3.95Å; L302-W383 HydrophobicContact CB-CH2 4.27Å; L302-W383 HydrophobicContact CB-CZ2 4.07Å; L302-W383 HydrophobicContact CD2-CH2 3.84Å; L302-W383 HydrophobicContact CD2-CZ2 3.82Å; L302-W383 HydrophobicContact CG-CZ2 4.46Å
303	Q	97	Very high	94.9	Very high	41 Å²	41	22.8 Å²	22.8	19%	0.192	13%	0.128	C	C	.	.	H	α-helix	trans	-65.8	-40.7	174.2	-63.4	-168	-71.6	0	0	111.5	I299 D300 K306 L307 V351 S353 Y399	I299-Q303 HydrophobicContact CG2-CG 4.04Å; I299-Q303 VanDerWaalsContact O-CG 3.32Å; I299-Q303 WeakPolarHBondContact O-CG 3.41Å; I299-Q303 PolarHBondContact O-N 3.14Å; D300-Q303 PolarHBondContact O-N 3.09Å; Q303-K306 PolarHBondContact O-N 2.88Å; Q303-L307 PolarHBondContact O-N 2.94Å; Q303-V351 HydrophobicContact CG-CG1 3.61Å; Q303-S353 VanDerWaalsContact CG-O 3.29Å; Q303-S353 WeakPolarHBondContact CG-O 3.48Å; Q303-S353 PolarHBondContact NE2-O 2.82Å; Q303-Y399 HydrophobicContact CB-CD2 4.29Å; Q303-Y399 HydrophobicContact CB-CE1 4.19Å; Q303-Y399 HydrophobicContact CB-CE2 3.58Å; Q303-Y399 VanDerWaalsContact CD-CE2 3.49Å; Q303-Y399 HydrophobicContact CG-CE2 4.14Å
304	K	97.4	Very high	95.2	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-64.4	-39.7	173.1	-74.3	-176.6	169.8	90.6	0	112.4	A246 D249 I250 D300 S301 L307 A308 K402 F403	A246-K304 HydrophobicContact CB-CB 4.47Å; D249-K304 HydrophobicContact CB-CD 3.64Å; D249-K304 WeakPolarHBondContact OD2-CE 3.28Å; D249-K304 IonicContact OD2-NZ 2.67Å; I250-K304 HydrophobicContact CD1-CB 4.17Å; I250-K304 HydrophobicContact CG1-CB 4.06Å; D300-K304 WeakPolarHBondContact O-CB 3.27Å; D300-K304 WeakPolarHBondContact O-CG 3.38Å; D300-K304 PolarHBondContact O-N 2.86Å; D300-K304 IonicContact OD1-NZ 3.58Å; D300-K304 PolarHBondContact OD1-NZ 3.24Å; D300-K304 IonicContact OD2-NZ 3.63Å; D300-K304 PolarHBondContact OD2-NZ 3.42Å; S301-K304 PolarHBondContact O-N 2.83Å; K304-L307 PolarHBondContact O-N 3.48Å; K304-A308 WeakPolarHBondContact O-CB 3.3Å; K304-A308 PolarHBondContact O-N 2.92Å; K304-K402 WeakPolarHBondContact CE-O 3.39Å; K304-K402 PolarHBondContact NZ-O 2.66Å; K304-F403 HydrophobicContact CD-CE1 4.48Å
305	L	98	Very high	95.5	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-56.7	-49.7	172	-83.9	160	0	0	0	111.1	I250 S301 L302 L307 A308 L309 L331 L335 W383	I250-L305 HydrophobicContact CD1-CB 4.45Å; I250-L305 HydrophobicContact CD1-CD2 3.95Å; I250-L305 HydrophobicContact CD1-CG 3.84Å; I250-L305 HydrophobicContact CG1-CG 4.18Å; I250-L305 HydrophobicContact CG2-CD2 4.26Å; I250-L305 HydrophobicContact CG2-CG 4.44Å; S301-L305 WeakPolarHBondContact O-CG 3.29Å; S301-L305 PolarHBondContact O-N 3.48Å; L302-L305 HydrophobicContact CD2-CD1 4.16Å; L302-L305 WeakPolarHBondContact O-CB 3.45Å; L302-L305 PolarHBondContact O-N 2.9Å; L305-L307 PolarHBondContact O-N 2.83Å; L305-A308 PolarHBondContact O-N 2.96Å; L305-L309 WeakPolarHBondContact O-CG 3.38Å; L305-L309 PolarHBondContact O-N 2.87Å; L305-L331 HydrophobicContact CD2-CB 4.3Å; L305-L331 HydrophobicContact CD2-CD2 3.84Å; L305-L335 HydrophobicContact CD1-CB 4.48Å; L305-L335 HydrophobicContact CD1-CD1 4.23Å; L305-W383 HydrophobicContact CB-CH2 4.36Å
306	K	97.8	Very high	95.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.8	-40.5	177.6	-64.5	179.8	84.7	-168.4	0	112.8	L302 Q303 L309 N310 V351 I352 P354 L356 G382 W383	L302-K306 WeakPolarHBondContact O-CG 3.25Å; L302-K306 PolarHBondContact O-N 3.48Å; L302-K306 VanDerWaalsContact O-N 3.07Å; Q303-K306 PolarHBondContact O-N 2.88Å; K306-L309 PolarHBondContact O-N 2.98Å; K306-N310 PolarHBondContact O-N 2.85Å; K306-N310 VanDerWaalsContact O-N 3.09Å; K306-N310 PolarHBondContact O-ND2 3.33Å; K306-V351 HydrophobicContact CD-CG1 4.25Å; K306-V351 PolarHBondContact NZ-O 2.75Å; K306-I352 PolarHBondContact NZ-O 3.13Å; K306-P354 HydrophobicContact CB-CG 3.87Å; K306-P354 WeakPolarHBondContact CE-O 3.28Å; K306-P354 PolarHBondContact NZ-O 3.4Å; K306-L356 HydrophobicContact CB-CD2 4Å; K306-L356 HydrophobicContact CG-CD2 4.46Å; K306-L356 WeakPolarHBondContact O-CD2 3.24Å; K306-G382 WeakPolarHBondContact CE-O 3.45Å; K306-G382 PolarHBondContact NZ-O 3.01Å; K306-W383 HydrophobicContact CD-CD2 4Å; K306-W383 HydrophobicContact CD-CE3 4.11Å; K306-W383 HydrophobicContact CD-CH2 4Å; K306-W383 HydrophobicContact CD-CZ2 3.87Å; K306-W383 HydrophobicContact CD-CZ3 4.12Å; K306-W383 HydrophobicContact CG-CD2 4.12Å; K306-W383 HydrophobicContact CG-CE3 3.69Å; K306-W383 HydrophobicContact CG-CH2 3.51Å; K306-W383 HydrophobicContact CG-CZ2 3.94Å; K306-W383 HydrophobicContact CG-CZ3 3.38Å
307	L	97.3	Very high	95.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.9	-42.9	173.3	177.6	60.2	0	0	0	111.8	I242 Q303 K304 L305 N310 L311 P354 Y399 P401 F403 F414 W419	I242-L307 HydrophobicContact CG2-CD2 3.91Å; I242-L307 HydrophobicContact CG2-CG 4.46Å; Q303-L307 PolarHBondContact O-N 2.94Å; K304-L307 PolarHBondContact O-N 3.48Å; L305-L307 PolarHBondContact O-N 2.83Å; L307-N310 WeakPolarHBondContact O-CB 3.5Å; L307-N310 PolarHBondContact O-N 2.91Å; L307-L311 HydrophobicContact CD1-CD1 3.96Å; L307-L311 HydrophobicContact CD1-CG 4.24Å; L307-L311 HydrophobicContact CG-CD1 3.91Å; L307-L311 WeakPolarHBondContact O-CG 3.42Å; L307-L311 PolarHBondContact O-N 2.8Å; L307-P354 HydrophobicContact CB-CG 4.25Å; L307-Y399 HydrophobicContact CB-CD1 4.43Å; L307-Y399 HydrophobicContact CB-CE1 4.19Å; L307-Y399 HydrophobicContact CD2-CD1 4.28Å; L307-Y399 HydrophobicContact CD2-CE1 3.91Å; L307-P401 HydrophobicContact CD2-CB 3.82Å; L307-P401 HydrophobicContact CD2-CG 3.73Å; L307-F403 HydrophobicContact CD2-CZ 4.48Å; L307-F414 HydrophobicContact CD1-CE1 4.16Å; L307-F414 HydrophobicContact CD2-CE1 4.38Å; L307-W419 HydrophobicContact CD1-CZ2 4.08Å
308	A	98	Very high	95.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.3	-45	177.4	0	0	0	0	0	111.7	L243 A246 I250 K304 L305 N310 L311 L312 L331	L243-A308 HydrophobicContact CD1-CB 3.87Å; A246-A308 HydrophobicContact CB-CB 4.41Å; I250-A308 HydrophobicContact CD1-CB 4.47Å; K304-A308 WeakPolarHBondContact O-CB 3.3Å; K304-A308 PolarHBondContact O-N 2.92Å; L305-A308 PolarHBondContact O-N 2.96Å; A308-N310 PolarHBondContact O-N 2.78Å; A308-L311 PolarHBondContact O-N 2.79Å; A308-L311 VanDerWaalsContact O-N 3.14Å; A308-L312 VanDerWaalsContact O-CG 3.31Å; A308-L312 WeakPolarHBondContact O-CG 3.1Å; A308-L312 PolarHBondContact O-N 2.66Å; A308-L331 HydrophobicContact CB-CD1 3.7Å
309	L	98.1	Very high	95	Very high	3 Å²	3	28 Å²	28	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-61.8	-41.1	177.4	-60.5	173.4	0	0	0	112.3	L305 K306 L312 A313 V328 L331 F332 L356 L364	L305-L309 WeakPolarHBondContact O-CG 3.38Å; L305-L309 PolarHBondContact O-N 2.87Å; K306-L309 PolarHBondContact O-N 2.98Å; L309-L312 PolarHBondContact O-N 2.84Å; L309-A313 WeakPolarHBondContact O-CB 3.36Å; L309-A313 PolarHBondContact O-N 3.39Å; L309-V328 HydrophobicContact CD2-CG2 4.27Å; L309-L331 HydrophobicContact CD2-CB 4.39Å; L309-L331 HydrophobicContact CD2-CD1 3.8Å; L309-L331 HydrophobicContact CG-CD1 4.44Å; L309-F332 HydrophobicContact CD2-CE2 4.4Å; L309-L356 HydrophobicContact CB-CD2 4.45Å; L309-L364 HydrophobicContact CD1-CD1 4.25Å; L309-L364 HydrophobicContact CD2-CD2 4.11Å
310	N	97.9	Very high	94.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.6	-45.3	171.3	-88.1	-31.4	0	0	0	112.6	K306 L307 A308 A313 K314 H355 L356 S357 A360 W419	K306-N310 PolarHBondContact O-N 2.85Å; K306-N310 VanDerWaalsContact O-N 3.09Å; K306-N310 PolarHBondContact O-ND2 3.33Å; L307-N310 WeakPolarHBondContact O-CB 3.5Å; L307-N310 PolarHBondContact O-N 2.91Å; A308-N310 PolarHBondContact O-N 2.78Å; N310-A313 PolarHBondContact O-N 2.78Å; N310-K314 WeakPolarHBondContact O-CB 3.37Å; N310-K314 PolarHBondContact O-N 2.93Å; N310-H355 PolarHBondContact ND2-O 2.88Å; N310-L356 WeakPolarHBondContact OD1-CA 3.4Å; N310-S357 PolarHBondContact OD1-N 2.89Å; N310-S357 PolarHBondContact OD1-OG 3.15Å; N310-A360 WeakPolarHBondContact OD1-CB 3.47Å; N310-W419 HydrophobicContact CB-CD2 3.91Å; N310-W419 HydrophobicContact CB-CE3 3.59Å; N310-W419 HydrophobicContact CB-CH2 4.19Å; N310-W419 HydrophobicContact CB-CZ2 4.49Å; N310-W419 HydrophobicContact CB-CZ3 3.74Å
311	L	96.3	Very high	93.3	Very high	2 Å²	2	38 Å²	38	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-69.3	-38.7	179.4	-72.5	167.3	0	0	0	112.3	D239 I242 L243 L307 A308 K314 L315 W419	D239-L311 HydrophobicContact CB-CD2 4.06Å; D239-L311 WeakPolarHBondContact OD1-CD2 3.44Å; I242-L311 HydrophobicContact CB-CD1 3.98Å; I242-L311 HydrophobicContact CG2-CD1 3.61Å; L243-L311 HydrophobicContact CB-CB 4.25Å; L243-L311 HydrophobicContact CB-CD1 4.11Å; L243-L311 HydrophobicContact CD1-CB 4.26Å; L307-L311 HydrophobicContact CD1-CD1 3.96Å; L307-L311 HydrophobicContact CD1-CG 4.24Å; L307-L311 HydrophobicContact CG-CD1 3.91Å; L307-L311 WeakPolarHBondContact O-CG 3.42Å; L307-L311 PolarHBondContact O-N 2.8Å; A308-L311 PolarHBondContact O-N 2.79Å; A308-L311 VanDerWaalsContact O-N 3.14Å; L311-K314 HydrophobicContact CD2-CD 4.4Å; L311-K314 WeakPolarHBondContact O-CB 3.32Å; L311-K314 PolarHBondContact O-N 3.06Å; L311-L315 WeakPolarHBondContact O-CB 3.35Å; L311-L315 VanDerWaalsContact O-CG 3.26Å; L311-L315 WeakPolarHBondContact O-CG 3.42Å; L311-L315 PolarHBondContact O-N 3.42Å; L311-W419 HydrophobicContact CD2-CH2 3.99Å; L311-W419 HydrophobicContact CG-CH2 4.4Å
312	L	97.1	Very high	92.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-44.7	173.6	-69.8	177	0	0	0	111.6	L243 A308 L309 K314 L315 K316 L319 A324 L327 V328 L331 F363	L243-L312 HydrophobicContact CD1-CD2 4.15Å; L243-L312 HydrophobicContact CD1-CG 4.18Å; L243-L312 HydrophobicContact CD2-CD2 3.69Å; L243-L312 HydrophobicContact CD2-CG 4.48Å; A308-L312 VanDerWaalsContact O-CG 3.31Å; A308-L312 WeakPolarHBondContact O-CG 3.1Å; A308-L312 PolarHBondContact O-N 2.66Å; L309-L312 PolarHBondContact O-N 2.84Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-K314 PolarHBondContact O-N 3.45Å; L312-L315 CarbonylContact O-C 3.35Å; L312-L315 PolarHBondContact O-N 3.15Å; L312-K316 PolarHBondContact O-N 2.74Å; L312-L319 HydrophobicContact CD2-CD1 3.66Å; L312-A324 HydrophobicContact CB-CB 4.39Å; L312-A324 HydrophobicContact CD2-CB 4.44Å; L312-L327 HydrophobicContact CD1-CB 3.76Å; L312-L327 HydrophobicContact CD2-CB 3.55Å; L312-L327 HydrophobicContact CD2-CD1 3.6Å; L312-L327 HydrophobicContact CD2-CG 4.17Å; L312-L327 HydrophobicContact CG-CB 4.33Å; L312-V328 HydrophobicContact CD1-CG2 3.84Å; L312-L331 HydrophobicContact CD1-CD1 3.73Å; L312-F363 HydrophobicContact CB-CE1 4.35Å
313	A	96.6	Very high	92.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-36.2	176.2	0	0	0	0	0	112.9	L309 N310 K316 A360 F363	L309-A313 WeakPolarHBondContact O-CB 3.36Å; L309-A313 PolarHBondContact O-N 3.39Å; N310-A313 PolarHBondContact O-N 2.78Å; A313-K316 WeakPolarHBondContact O-CD 3.43Å; A313-K316 WeakPolarHBondContact O-CE 3.42Å; A313-K316 WeakPolarHBondContact O-CG 3.17Å; A313-K316 PolarHBondContact O-NZ 3.3Å; A313-A360 VanDerWaalsContact CB-CA 3.46Å; A313-A360 HydrophobicContact CB-CB 3.65Å; A313-F363 HydrophobicContact CB-CB 4Å; A313-F363 HydrophobicContact CB-CD1 3.75Å; A313-F363 HydrophobicContact CB-CG 4.09Å
314	K	94.3	Very high	92.2	Very high	58 Å²	58	40.1 Å²	40.1	25%	0.252	20%	0.197	S	C	.	.	H	α-helix	trans	-69.9	-40.6	174.6	-171.4	-174.8	-173.2	-176.5	0	112.3	D239 N310 L311 L312 W419	D239-K314 IonicContact OD1-NZ 3.92Å; D239-K314 PolarHBondContact OD1-NZ 3.29Å; D239-K314 WeakPolarHBondContact OD2-CE 3.47Å; D239-K314 IonicContact OD2-NZ 3.58Å; D239-K314 PolarHBondContact OD2-NZ 2.93Å; N310-K314 WeakPolarHBondContact O-CB 3.37Å; N310-K314 PolarHBondContact O-N 2.93Å; L311-K314 HydrophobicContact CD2-CD 4.4Å; L311-K314 WeakPolarHBondContact O-CB 3.32Å; L311-K314 PolarHBondContact O-N 3.06Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-K314 PolarHBondContact O-N 3.45Å; K314-W419 HydrophobicContact CD-CH2 4.14Å; K314-W419 HydrophobicContact CD-CZ3 4.15Å
315	L	92.6	Very high	92.1	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-91.2	4.1	-175.1	-67.7	169.2	0	0	0	114.1	I236 D239 V240 L243 L311 L312 K317 H318 L319	I236-L315 HydrophobicContact CG2-CD2 3.97Å; D239-L315 HydrophobicContact CB-CD1 4.09Å; D239-L315 HydrophobicContact CB-CD2 3.86Å; D239-L315 HydrophobicContact CB-CG 4.18Å; V240-L315 HydrophobicContact CG2-CD1 3.82Å; V240-L315 HydrophobicContact CG2-CD2 4.08Å; L243-L315 HydrophobicContact CD2-CD1 3.98Å; L311-L315 WeakPolarHBondContact O-CB 3.35Å; L311-L315 VanDerWaalsContact O-CG 3.26Å; L311-L315 WeakPolarHBondContact O-CG 3.42Å; L311-L315 PolarHBondContact O-N 3.42Å; L312-L315 CarbonylContact O-C 3.35Å; L312-L315 PolarHBondContact O-N 3.15Å; L315-K317 PolarHBondContact O-N 3.46Å; L315-H318 PolarHBondContact O-N 2.72Å; L315-L319 HydrophobicContact CB-CD1 3.67Å; L315-L319 HydrophobicContact CB-CG 3.88Å; L315-L319 HydrophobicContact CD1-CD1 4.3Å; L315-L319 PolarHBondContact O-N 2.97Å
316	K	92.9	Very high	91.7	Very high	71 Å²	71	45.8 Å²	45.8	31%	0.309	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-14.2	-173.9	66.2	-166.8	161.9	-160.7	0	116.7	L312 A313 A324 D359 F363	L312-K316 PolarHBondContact O-N 2.74Å; A313-K316 WeakPolarHBondContact O-CD 3.43Å; A313-K316 WeakPolarHBondContact O-CE 3.42Å; A313-K316 WeakPolarHBondContact O-CG 3.17Å; A313-K316 PolarHBondContact O-NZ 3.3Å; K316-A324 HydrophobicContact CB-CB 4.01Å; K316-D359 PolarHBondContact NZ-O 3.32Å; K316-D359 IonicContact NZ-OD1 2.71Å; K316-D359 PolarHBondContact NZ-OD1 3.18Å; K316-F363 HydrophobicContact CB-CE2 4.01Å; K316-F363 HydrophobicContact CB-CZ 4.21Å; K316-F363 HydrophobicContact CD-CD2 3.69Å; K316-F363 HydrophobicContact CD-CE2 3.99Å; K316-F363 HydrophobicContact CD-CG 4.24Å
317	K	91.6	Very high	91.5	Very high	178 Å²	178	46.9 Å²	46.9	77%	0.774	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	-5.3	175.2	-62.5	-179.2	-178.6	175.2	0	114.5	L315	L315-K317 PolarHBondContact O-N 3.46Å
318	H	86.3	Confident	91.5	Very high	99 Å²	99	46.9 Å²	46.9	46%	0.458	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-20.8	-170.5	-57.9	-62.5	0	0	0	113.5	I236 L315	I236-H318 HydrophobicContact CG2-CB 4.09Å; L315-H318 PolarHBondContact O-N 2.72Å
319	L	84.1	Confident	91.3	Very high	29 Å²	29	50.1 Å²	50.1	15%	0.152	25%	0.247	C	C	.	.			trans	-85.7	129.4	175.5	-65.2	169.6	0	0	0	111.4	V240 L243 L312 L315 A324 L327	V240-L319 HydrophobicContact CG2-CD2 4.25Å; L243-L319 HydrophobicContact CD2-CD1 3.91Å; L312-L319 HydrophobicContact CD2-CD1 3.66Å; L315-L319 HydrophobicContact CB-CD1 3.67Å; L315-L319 HydrophobicContact CB-CG 3.88Å; L315-L319 HydrophobicContact CD1-CD1 4.3Å; L315-L319 PolarHBondContact O-N 2.97Å; L319-A324 HydrophobicContact CD1-CB 4.24Å; L319-L327 HydrophobicContact CD1-CD1 4Å
320	Q	82.1	Confident	91.1	Very high	155 Å²	155	56.3 Å²	56.3	72%	0.724	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.5	134.5	177.3	-60.4	-177.7	4.4	0	0	108.8	P322	Q320-P322 CarbonylContact C-O 3.42Å
321	N	71.5	Confident	91.1	Very high	154 Å²	154	56.6 Å²	56.6	82%	0.824	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	71.7	176.2	-54.6	-27.3	0	0	0	115.2
322	P	86.6	Confident	91.1	Very high	53 Å²	53	56.7 Å²	56.7	34%	0.344	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	cis	-80.3	154.5	1.2	31.5	-35.4	0	0	0	113.5	Q320 E326 L327 F330	Q320-P322 CarbonylContact C-O 3.42Å; P322-E326 HydrophobicContact CB-CB 4.03Å; P322-L327 HydrophobicContact CB-CG 4.11Å; P322-L327 HydrophobicContact CG-CD1 4.04Å; P322-L327 HydrophobicContact CG-CD2 3.71Å; P322-L327 HydrophobicContact CG-CG 3.7Å; P322-F330 HydrophobicContact CB-CE2 4.05Å; P322-F330 HydrophobicContact CG-CE2 4.45Å
323	S	89.4	Confident	90.9	Very high	35 Å²	35	58.6 Å²	58.6	25%	0.245	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	164.7	171.2	66.5	0	0	0	0	111.9	E326 L327	S323-E326 VanDerWaalsContact CB-OE2 3.27Å; S323-E326 WeakPolarHBondContact CB-OE2 3.4Å; S323-E326 PolarHBondContact N-OE2 3.41Å; S323-E326 PolarHBondContact O-N 2.94Å; S323-E326 WeakPolarHBondContact OG-CG 3.49Å; S323-E326 PolarHBondContact OG-OE2 2.85Å; S323-L327 PolarHBondContact O-N 2.83Å
324	A	91.4	Very high	90.8	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-39.4	-180	0	0	0	0	0	114.4	L312 K316 L319 L327 V328 F363	L312-A324 HydrophobicContact CB-CB 4.39Å; L312-A324 HydrophobicContact CD2-CB 4.44Å; K316-A324 HydrophobicContact CB-CB 4.01Å; L319-A324 HydrophobicContact CD1-CB 4.24Å; A324-L327 PolarHBondContact O-N 2.92Å; A324-V328 WeakPolarHBondContact O-CG2 3.32Å; A324-V328 PolarHBondContact O-N 3.24Å; A324-F363 HydrophobicContact CB-CE1 4.31Å; A324-F363 HydrophobicContact CB-CZ 3.75Å
325	P	93.9	Very high	90.9	Very high	32 Å²	32	57.3 Å²	57.3	21%	0.208	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-40.5	173.7	-25	36.4	0	0	0	113.6	L327 V328 H329 F363 H367	P325-L327 VanDerWaalsContact C-N 3.3Å; P325-L327 PolarHBondContact O-N 2.85Å; P325-V328 WeakPolarHBondContact O-CB 3.32Å; P325-V328 PolarHBondContact O-N 2.81Å; P325-V328 VanDerWaalsContact O-N 3.11Å; P325-H329 PolarHBondContact O-CD2 3.07Å; P325-H329 PolarHBondContact O-N 2.76Å; P325-H329 VanDerWaalsContact O-N 3.1Å; P325-F363 HydrophobicContact CG-CE2 4.17Å; P325-F363 HydrophobicContact CG-CZ 4.03Å; P325-H367 HydrophobicContact CB-CB 4.42Å
326	E	91.2	Very high	90.9	Very high	90 Å²	90	59.8 Å²	59.8	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-61.8	-40.8	175.6	-68.3	165.8	121.4	0	0	111.1	P322 S323 V328 H329 F330	P322-E326 HydrophobicContact CB-CB 4.03Å; S323-E326 VanDerWaalsContact CB-OE2 3.27Å; S323-E326 WeakPolarHBondContact CB-OE2 3.4Å; S323-E326 PolarHBondContact N-OE2 3.41Å; S323-E326 PolarHBondContact O-N 2.94Å; S323-E326 WeakPolarHBondContact OG-CG 3.49Å; S323-E326 PolarHBondContact OG-OE2 2.85Å; E326-V328 VanDerWaalsContact C-N 3.34Å; E326-V328 PolarHBondContact O-N 2.83Å; E326-H329 PolarHBondContact O-N 2.89Å; E326-F330 HydrophobicContact CB-CE2 4.27Å; E326-F330 VanDerWaalsContact O-CD2 3.26Å; E326-F330 WeakPolarHBondContact O-CD2 3.27Å; E326-F330 VanDerWaalsContact O-CG 3.25Å; E326-F330 WeakPolarHBondContact O-CG 3.37Å; E326-F330 PolarHBondContact O-N 2.9Å
327	L	92.3	Very high	90.9	Very high	22 Å²	22	58.5 Å²	58.5	12%	0.115	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-31.7	173.4	-74.3	162.2	0	0	0	113.3	L247 L312 L319 P322 S323 A324 P325 F330 L331	L247-L327 HydrophobicContact CD1-CD2 4.31Å; L312-L327 HydrophobicContact CD1-CB 3.76Å; L312-L327 HydrophobicContact CD2-CB 3.55Å; L312-L327 HydrophobicContact CD2-CD1 3.6Å; L312-L327 HydrophobicContact CD2-CG 4.17Å; L312-L327 HydrophobicContact CG-CB 4.33Å; L319-L327 HydrophobicContact CD1-CD1 4Å; P322-L327 HydrophobicContact CB-CG 4.11Å; P322-L327 HydrophobicContact CG-CD1 4.04Å; P322-L327 HydrophobicContact CG-CD2 3.71Å; P322-L327 HydrophobicContact CG-CG 3.7Å; S323-L327 PolarHBondContact O-N 2.83Å; A324-L327 PolarHBondContact O-N 2.92Å; P325-L327 VanDerWaalsContact C-N 3.3Å; P325-L327 PolarHBondContact O-N 2.85Å; L327-F330 HydrophobicContact CD2-CD2 4.39Å; L327-F330 PolarHBondContact O-N 2.85Å; L327-L331 WeakPolarHBondContact O-CG 3.45Å; L327-L331 PolarHBondContact O-N 2.86Å
328	V	96.8	Very high	90.8	Very high	1 Å²	1	50 Å²	50	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-49.3	171.1	169.2	0	0	0	0	110.2	L309 L312 A324 P325 E326 F330 L331 F332 F363 L364 L368	L309-V328 HydrophobicContact CD2-CG2 4.27Å; L312-V328 HydrophobicContact CD1-CG2 3.84Å; A324-V328 WeakPolarHBondContact O-CG2 3.32Å; A324-V328 PolarHBondContact O-N 3.24Å; P325-V328 WeakPolarHBondContact O-CB 3.32Å; P325-V328 PolarHBondContact O-N 2.81Å; P325-V328 VanDerWaalsContact O-N 3.11Å; E326-V328 VanDerWaalsContact C-N 3.34Å; E326-V328 PolarHBondContact O-N 2.83Å; V328-F330 VanDerWaalsContact C-N 3.3Å; V328-F330 PolarHBondContact O-N 2.87Å; V328-L331 WeakPolarHBondContact O-CB 3.44Å; V328-L331 PolarHBondContact O-N 2.83Å; V328-F332 HydrophobicContact CG1-CD2 4Å; V328-F332 HydrophobicContact CG1-CE2 4.02Å; V328-F332 WeakPolarHBondContact O-CD2 3.37Å; V328-F332 PolarHBondContact O-N 2.81Å; V328-F363 HydrophobicContact CG2-CD1 4.43Å; V328-F363 HydrophobicContact CG2-CE1 3.72Å; V328-F363 HydrophobicContact CG2-CZ 4.48Å; V328-L364 HydrophobicContact CG1-CD2 3.71Å; V328-L364 HydrophobicContact CG2-CD2 4.22Å; V328-L368 HydrophobicContact CG1-CD2 3.46Å; V328-L368 VanDerWaalsContact CG1-CD2 3.46Å
329	H	95.1	Very high	91	Very high	67 Å²	67	47.3 Å²	47.3	31%	0.31	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-39.5	176.9	-62.7	-56.9	0	0	0	112.2	P325 E326 L331 F332 H367 E372	P325-H329 PolarHBondContact O-CD2 3.07Å; P325-H329 PolarHBondContact O-N 2.76Å; P325-H329 VanDerWaalsContact O-N 3.1Å; E326-H329 PolarHBondContact O-N 2.89Å; H329-L331 VanDerWaalsContact C-N 3.27Å; H329-L331 PolarHBondContact O-N 3.06Å; H329-F332 PolarHBondContact O-N 3.14Å; H329-H367 PolarHBondContact CE1-O 2.84Å; H329-H367 VanDerWaalsContact CE1-O 3.26Å; H329-E372 IonicContact CE1-OE1 3.88Å; H329-E372 IonicContact CE1-OE2 3.3Å; H329-E372 PolarHBondContact CE1-OE2 3.49Å; H329-E372 VanDerWaalsContact CE1-OE2 3.3Å; H329-E372 IonicContact CG-OE1 3.7Å; H329-E372 VanDerWaalsContact ND1-CD 3.3Å; H329-E372 IonicContact ND1-OE1 2.84Å; H329-E372 PolarHBondContact ND1-OE1 2.88Å; H329-E372 IonicContact ND1-OE2 3.01Å; H329-E372 PolarHBondContact ND1-OE2 2.68Å
330	F	93.8	Very high	91.2	Very high	133 Å²	133	52.4 Å²	52.4	58%	0.583	28%	0.276	S	S	*	.	H	α-helix	trans	-65.6	-24.8	173.9	-63.1	-32.8	0	0	0	113.9	P322 E326 L327 V328 P334	P322-F330 HydrophobicContact CB-CE2 4.05Å; P322-F330 HydrophobicContact CG-CE2 4.45Å; E326-F330 HydrophobicContact CB-CE2 4.27Å; E326-F330 VanDerWaalsContact O-CD2 3.26Å; E326-F330 WeakPolarHBondContact O-CD2 3.27Å; E326-F330 VanDerWaalsContact O-CG 3.25Å; E326-F330 WeakPolarHBondContact O-CG 3.37Å; E326-F330 PolarHBondContact O-N 2.9Å; L327-F330 HydrophobicContact CD2-CD2 4.39Å; L327-F330 PolarHBondContact O-N 2.85Å; V328-F330 VanDerWaalsContact C-N 3.3Å; V328-F330 PolarHBondContact O-N 2.87Å; F330-P334 WeakPolarHBondContact O-CD 3.43Å; F330-P334 WeakPolarHBondContact O-CG 3.47Å
331	L	96.8	Very high	91.4	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-82.8	-24.7	172.7	-77.7	179.9	0	0	0	113.7	L247 I250 L305 A308 L309 L312 L327 V328 H329 G333 P334 L335	L247-L331 HydrophobicContact CD2-CD1 4.27Å; L247-L331 HydrophobicContact CD2-CD2 3.54Å; L247-L331 HydrophobicContact CD2-CG 4.1Å; I250-L331 HydrophobicContact CD1-CD2 4.14Å; L305-L331 HydrophobicContact CD2-CB 4.3Å; L305-L331 HydrophobicContact CD2-CD2 3.84Å; A308-L331 HydrophobicContact CB-CD1 3.7Å; L309-L331 HydrophobicContact CD2-CB 4.39Å; L309-L331 HydrophobicContact CD2-CD1 3.8Å; L309-L331 HydrophobicContact CG-CD1 4.44Å; L312-L331 HydrophobicContact CD1-CD1 3.73Å; L327-L331 WeakPolarHBondContact O-CG 3.45Å; L327-L331 PolarHBondContact O-N 2.86Å; V328-L331 WeakPolarHBondContact O-CB 3.44Å; V328-L331 PolarHBondContact O-N 2.83Å; H329-L331 VanDerWaalsContact C-N 3.27Å; H329-L331 PolarHBondContact O-N 3.06Å; L331-G333 VanDerWaalsContact C-N 3.34Å; L331-G333 PolarHBondContact O-N 3.05Å; L331-P334 WeakPolarHBondContact O-CD 3.42Å; L331-L335 WeakPolarHBondContact O-CB 3.5Å; L331-L335 PolarHBondContact O-N 2.91Å
332	F	96.3	Very high	91.6	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-72.6	-24.6	-179.6	-94.5	-111.8	0	0	0	113.4	L309 V328 H329 L335 E336 L364 L368 E372 M375 F376	L309-F332 HydrophobicContact CD2-CE2 4.4Å; V328-F332 HydrophobicContact CG1-CD2 4Å; V328-F332 HydrophobicContact CG1-CE2 4.02Å; V328-F332 WeakPolarHBondContact O-CD2 3.37Å; V328-F332 PolarHBondContact O-N 2.81Å; H329-F332 PolarHBondContact O-N 3.14Å; F332-L335 HydrophobicContact CD1-CD2 4.29Å; F332-L335 HydrophobicContact CD2-CD2 4.5Å; F332-L335 HydrophobicContact CE1-CD2 4.09Å; F332-L335 HydrophobicContact CE2-CD2 4.32Å; F332-L335 HydrophobicContact CG-CD2 4.49Å; F332-L335 HydrophobicContact CZ-CD2 4.11Å; F332-E336 WeakPolarHBondContact O-CB 3.39Å; F332-E336 PolarHBondContact O-N 3.48Å; F332-L364 HydrophobicContact CE2-CD2 4.27Å; F332-L368 HydrophobicContact CD1-CD2 4.27Å; F332-L368 HydrophobicContact CD2-CD2 3.97Å; F332-L368 HydrophobicContact CE1-CD1 3.89Å; F332-L368 HydrophobicContact CE1-CD2 3.92Å; F332-L368 HydrophobicContact CE2-CD1 4.36Å; F332-L368 HydrophobicContact CE2-CD2 3.58Å; F332-L368 HydrophobicContact CG-CD2 4.3Å; F332-L368 HydrophobicContact CZ-CD1 3.57Å; F332-L368 HydrophobicContact CZ-CD2 3.56Å; F332-L368 HydrophobicContact CZ-CG 4.23Å; F332-E372 HydrophobicContact CB-CG 4.05Å; F332-E372 HydrophobicContact CD1-CB 3.47Å; F332-E372 VanDerWaalsContact CD1-CB 3.47Å; F332-E372 HydrophobicContact CD1-CG 3.65Å; F332-E372 HydrophobicContact CE1-CB 3.82Å; F332-E372 HydrophobicContact CE1-CG 4.48Å; F332-E372 WeakPolarHBondContact CE1-O 3.4Å; F332-E372 HydrophobicContact CG-CB 4.25Å; F332-E372 HydrophobicContact CG-CG 4.07Å; F332-M375 HydrophobicContact CB-CE 4.41Å; F332-M375 HydrophobicContact CD1-CE 3.46Å; F332-M375 VanDerWaalsContact CD1-CE 3.46Å; F332-M375 HydrophobicContact CE1-CE 4.05Å; F332-M375 HydrophobicContact CG-CE 4.27Å; F332-F376 HydrophobicContact CE1-CB 4.2Å; F332-F376 HydrophobicContact CZ-CB 4.25Å; F332-F376 HydrophobicContact CZ-CD2 4.34Å
333	G	94.3	Very high	90.9	Very high	41 Å²	41	42.7 Å²	42.7	42%	0.423	25%	0.25	S	C	.	.	H	α-helix	trans	-65.5	-55.4	168.8	0	0	0	0	0	113.9	L331 L335 E336 L337	L331-G333 VanDerWaalsContact C-N 3.34Å; L331-G333 PolarHBondContact O-N 3.05Å; G333-L335 VanDerWaalsContact C-N 3.32Å; G333-L335 PolarHBondContact O-N 3.21Å; G333-E336 PolarHBondContact O-N 2.65Å; G333-L337 PolarHBondContact O-N 2.99Å
334	P	94.4	Very high	90.4	Very high	29 Å²	29	43 Å²	43	19%	0.188	25%	0.252	C	S	.	.	H	α-helix	trans	-47	-50.9	166.3	-33.5	38.3	0	0	0	113.1	I250 V254 F330 L331 E336 L337 V338	I250-P334 HydrophobicContact CG2-CB 3.86Å; I250-P334 HydrophobicContact CG2-CG 4.44Å; V254-P334 HydrophobicContact CG2-CB 3.77Å; V254-P334 HydrophobicContact CG2-CG 4.38Å; F330-P334 WeakPolarHBondContact O-CD 3.43Å; F330-P334 WeakPolarHBondContact O-CG 3.47Å; L331-P334 WeakPolarHBondContact O-CD 3.42Å; P334-E336 PolarHBondContact O-N 3.09Å; P334-L337 PolarHBondContact O-N 2.62Å; P334-V338 VanDerWaalsContact O-CG2 3.26Å; P334-V338 WeakPolarHBondContact O-CG2 3.15Å; P334-V338 PolarHBondContact O-N 2.85Å
335	L	95.3	Very high	90	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-57.4	-50.9	177.7	178.8	60	0	0	0	111.2	L302 L305 L331 F332 G333 L337 V338 L339 M375 L379 W383	L302-L335 HydrophobicContact CD2-CD1 4.08Å; L305-L335 HydrophobicContact CD1-CB 4.48Å; L305-L335 HydrophobicContact CD1-CD1 4.23Å; L331-L335 WeakPolarHBondContact O-CB 3.5Å; L331-L335 PolarHBondContact O-N 2.91Å; F332-L335 HydrophobicContact CD1-CD2 4.29Å; F332-L335 HydrophobicContact CD2-CD2 4.5Å; F332-L335 HydrophobicContact CE1-CD2 4.09Å; F332-L335 HydrophobicContact CE2-CD2 4.32Å; F332-L335 HydrophobicContact CG-CD2 4.49Å; F332-L335 HydrophobicContact CZ-CD2 4.11Å; G333-L335 VanDerWaalsContact C-N 3.32Å; G333-L335 PolarHBondContact O-N 3.21Å; L335-L337 VanDerWaalsContact C-N 3.34Å; L335-L337 PolarHBondContact O-N 3.25Å; L335-V338 PolarHBondContact O-N 3.18Å; L335-V338 VanDerWaalsContact O-N 3.13Å; L335-L339 HydrophobicContact CD1-CD1 4.41Å; L335-L339 HydrophobicContact CD1-CD2 4.29Å; L335-L339 HydrophobicContact CD1-CG 4.16Å; L335-L339 HydrophobicContact CG-CD1 4.21Å; L335-L339 HydrophobicContact CG-CG 4.38Å; L335-L339 VanDerWaalsContact O-CG 3.26Å; L335-L339 WeakPolarHBondContact O-CG 3.46Å; L335-L339 PolarHBondContact O-N 3.5Å; L335-M375 HydrophobicContact CB-CE 4.41Å; L335-M375 HydrophobicContact CD2-CE 4.11Å; L335-M375 HydrophobicContact CG-CE 4.11Å; L335-L379 HydrophobicContact CD2-CD1 4.25Å; L335-W383 HydrophobicContact CD1-CH2 4.16Å; L335-W383 HydrophobicContact CD1-CZ3 4.33Å
336	E	94	Very high	89.7	Confident	55 Å²	55	50.1 Å²	50.1	26%	0.257	29%	0.293	S	S	.	.	H	α-helix	trans	-56.6	-43.4	178.8	-178.3	169	-168.3	0	0	112.7	F332 G333 P334 L339 Q340 K371 M375	F332-E336 WeakPolarHBondContact O-CB 3.39Å; F332-E336 PolarHBondContact O-N 3.48Å; G333-E336 PolarHBondContact O-N 2.65Å; P334-E336 PolarHBondContact O-N 3.09Å; E336-L339 PolarHBondContact O-N 2.78Å; E336-Q340 WeakPolarHBondContact O-CB 3.34Å; E336-Q340 VanDerWaalsContact O-CG 3.26Å; E336-Q340 WeakPolarHBondContact O-CG 3.28Å; E336-Q340 PolarHBondContact O-N 2.94Å; E336-Q340 PolarHBondContact OE1-NE2 2.92Å; E336-K371 WeakPolarHBondContact OE1-CE 3.33Å; E336-K371 IonicContact OE1-NZ 3.82Å; E336-K371 PolarHBondContact OE1-NZ 2.97Å; E336-K371 IonicContact OE2-NZ 3.76Å; E336-K371 PolarHBondContact OE2-NZ 2.9Å; E336-M375 HydrophobicContact CB-CE 3.9Å; E336-M375 HydrophobicContact CB-SD 3.75Å; E336-M375 HydrophobicContact CG-SD 4.01Å
337	L	91.9	Very high	89.6	Confident	43 Å²	43	47.2 Å²	47.2	23%	0.225	28%	0.28	C	S	.	.	H	α-helix	trans	-65.4	-40.9	176.7	-174.8	74.8	0	0	0	112.2	V254 L257 Q258 G333 P334 L335 Q340 T341	V254-L337 HydrophobicContact CG1-CD2 3.85Å; L257-L337 HydrophobicContact CD2-CD2 4.08Å; L257-L337 HydrophobicContact CD2-CG 4Å; Q258-L337 HydrophobicContact CG-CD2 3.72Å; G333-L337 PolarHBondContact O-N 2.99Å; P334-L337 PolarHBondContact O-N 2.62Å; L335-L337 VanDerWaalsContact C-N 3.34Å; L335-L337 PolarHBondContact O-N 3.25Å; L337-Q340 PolarHBondContact O-N 2.76Å; L337-T341 PolarHBondContact O-N 3.17Å; L337-T341 PolarHBondContact O-OG1 3.08Å
338	V	90.6	Very high	89.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-47.9	175.7	172.4	0	0	0	0	109.9	F253 L257 F298 L302 P334 L335 Q340 T341 C342	F253-V338 HydrophobicContact CD1-CG2 4.08Å; F253-V338 HydrophobicContact CE1-CG2 3.91Å; L257-V338 HydrophobicContact CD2-CG2 4.15Å; F298-V338 HydrophobicContact CD1-CG1 4Å; F298-V338 HydrophobicContact CE1-CG1 4.36Å; L302-V338 HydrophobicContact CD1-CG1 4.47Å; L302-V338 HydrophobicContact CD2-CG1 3.76Å; L302-V338 HydrophobicContact CG-CG1 4.08Å; P334-V338 VanDerWaalsContact O-CG2 3.26Å; P334-V338 WeakPolarHBondContact O-CG2 3.15Å; P334-V338 PolarHBondContact O-N 2.85Å; L335-V338 PolarHBondContact O-N 3.18Å; L335-V338 VanDerWaalsContact O-N 3.13Å; V338-Q340 VanDerWaalsContact C-N 3.35Å; V338-Q340 PolarHBondContact O-N 2.86Å; V338-T341 PolarHBondContact O-N 3.47Å; V338-T341 VanDerWaalsContact O-N 3.1Å; V338-C342 PolarHBondContact O-N 3.31Å; V338-C342 PolarHBondContact O-SG 3.48Å
339	L	90.1	Very high	89.4	Confident	43 Å²	43	51.4 Å²	51.4	23%	0.225	30%	0.295	C	S	.	.	H	α-helix	trans	-58	-43	175.7	-64.4	177.7	0	0	0	112.7	L335 E336 T341 V348 M375 L379	L335-L339 HydrophobicContact CD1-CD1 4.41Å; L335-L339 HydrophobicContact CD1-CD2 4.29Å; L335-L339 HydrophobicContact CD1-CG 4.16Å; L335-L339 HydrophobicContact CG-CD1 4.21Å; L335-L339 HydrophobicContact CG-CG 4.38Å; L335-L339 VanDerWaalsContact O-CG 3.26Å; L335-L339 WeakPolarHBondContact O-CG 3.46Å; L335-L339 PolarHBondContact O-N 3.5Å; E336-L339 PolarHBondContact O-N 2.78Å; L339-T341 PolarHBondContact O-N 2.98Å; L339-V348 HydrophobicContact CD2-CB 4.19Å; L339-V348 HydrophobicContact CD2-CG1 3.71Å; L339-V348 HydrophobicContact CD2-CG2 3.78Å; L339-M375 HydrophobicContact CD1-CE 4.33Å; L339-M375 HydrophobicContact CD1-CG 3.54Å; L339-M375 HydrophobicContact CD1-SD 3.57Å; L339-M375 VanDerWaalsContact CD1-SD 3.57Å; L339-L379 HydrophobicContact CD1-CD2 3.88Å; L339-L379 HydrophobicContact CD2-CD2 3.62Å; L339-L379 HydrophobicContact CG-CD2 4.39Å
340	Q	88.3	Confident	89.3	Confident	135 Å²	135	51.7 Å²	51.7	63%	0.631	30%	0.304	S	S	*	.	H	α-helix	trans	-66.2	-20.7	178.7	-74.1	175.5	15.4	0	0	113.4	E336 L337 V338	E336-Q340 WeakPolarHBondContact O-CB 3.34Å; E336-Q340 VanDerWaalsContact O-CG 3.26Å; E336-Q340 WeakPolarHBondContact O-CG 3.28Å; E336-Q340 PolarHBondContact O-N 2.94Å; E336-Q340 PolarHBondContact OE1-NE2 2.92Å; L337-Q340 PolarHBondContact O-N 2.76Å; V338-Q340 VanDerWaalsContact C-N 3.35Å; V338-Q340 PolarHBondContact O-N 2.86Å
341	T	85.3	Confident	89.3	Confident	58 Å²	58	45.6 Å²	45.6	36%	0.356	28%	0.278	S	S	.	.	H	α-helix	trans	-108.3	-16.6	-177.7	-36	0	0	0	0	113.3	L257 F298 L337 V338 L339 G343	L257-T341 HydrophobicContact CD1-CG2 3.6Å; L257-T341 HydrophobicContact CG-CG2 4.17Å; F298-T341 HydrophobicContact CZ-CG2 4.32Å; L337-T341 PolarHBondContact O-N 3.17Å; L337-T341 PolarHBondContact O-OG1 3.08Å; V338-T341 PolarHBondContact O-N 3.47Å; V338-T341 VanDerWaalsContact O-N 3.1Å; L339-T341 PolarHBondContact O-N 2.98Å; T341-G343 PolarHBondContact O-N 3.48Å
342	C	76.5	Confident	89.2	Confident	10 Å²	10	47.1 Å²	47.1	7%	0.068	29%	0.286	C	S	.	.	S	Bend	trans	-64	108.7	166.6	-77.7	0	0	0	0	110.3	F298 V338 S344 V348	F298-C342 WeakPolarHBondContact CD1-SG 3.27Å; V338-C342 PolarHBondContact O-N 3.31Å; V338-C342 PolarHBondContact O-SG 3.48Å; C342-S344 PolarHBondContact O-N 2.88Å; C342-V348 HydrophobicContact CB-CG2 4Å
343	G	70.9	Confident	89.1	Confident	90 Å²	90	47.5 Å²	47.5	93%	0.928	29%	0.289	S	S	*	.	S	Bend	trans	-61.4	-10.7	-175.3	0	0	0	0	0	116.5	T341	T341-G343 PolarHBondContact O-N 3.48Å
344	S	78.7	Confident	89.1	Confident	41 Å²	41	45.6 Å²	45.6	29%	0.287	27%	0.269	S	S	.	.			trans	-142.6	141.6	161.3	175.6	0	0	0	0	110.7	C342 D346 L347	C342-S344 PolarHBondContact O-N 2.88Å; S344-D346 PolarHBondContact O-N 3.05Å; S344-D346 WeakPolarHBondContact OG-CB 3.34Å; S344-D346 VanDerWaalsContact OG-CG 3.3Å; S344-D346 PolarHBondContact OG-N 2.82Å; S344-D346 PolarHBondContact OG-OD2 2.79Å; S344-L347 PolarHBondContact O-N 2.64Å
345	P	83.9	Confident	89.2	Confident	81 Å²	81	44.3 Å²	44.3	53%	0.526	26%	0.26	S	S	.	.	H	α-helix	trans	-57.8	-24.5	167	-23.7	34.7	0	0	0	114.1	L347 V348 R349	P345-L347 VanDerWaalsContact C-N 3.28Å; P345-L347 PolarHBondContact O-N 2.83Å; P345-V348 PolarHBondContact O-N 3.17Å; P345-V348 VanDerWaalsContact O-N 3.15Å; P345-R349 WeakPolarHBondContact O-CG 3.3Å; P345-R349 PolarHBondContact O-N 3.34Å; P345-R349 VanDerWaalsContact O-N 3.1Å
346	D	87.5	Confident	89.2	Confident	102 Å²	102	44.2 Å²	44.2	55%	0.545	26%	0.26	S	S	.	.	H	α-helix	trans	-67.3	-31	-175.6	-53	-42.9	0	0	0	112.1	S344 V348 R349 S350	S344-D346 PolarHBondContact O-N 3.05Å; S344-D346 WeakPolarHBondContact OG-CB 3.34Å; S344-D346 VanDerWaalsContact OG-CG 3.3Å; S344-D346 PolarHBondContact OG-N 2.82Å; S344-D346 PolarHBondContact OG-OD2 2.79Å; D346-V348 VanDerWaalsContact C-N 3.32Å; D346-V348 PolarHBondContact O-N 3.13Å; D346-R349 PolarHBondContact O-N 3.2Å; D346-R349 IonicContact OD1-NH1 2.86Å; D346-S350 PolarHBondContact O-N 3.36Å
347	L	89.9	Confident	89.3	Confident	28 Å²	28	41.8 Å²	41.8	15%	0.147	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-47.8	172.1	175.1	58.1	0	0	0	110.5	E295 F298 I299 S344 P345 S350	E295-L347 HydrophobicContact CG-CD1 3.5Å; E295-L347 VanDerWaalsContact CG-CD1 3.5Å; E295-L347 HydrophobicContact CG-CD2 3.96Å; E295-L347 HydrophobicContact CG-CG 4.39Å; F298-L347 HydrophobicContact CB-CD2 4.13Å; I299-L347 HydrophobicContact CD1-CD1 3.95Å; I299-L347 HydrophobicContact CG1-CD1 3.82Å; S344-L347 PolarHBondContact O-N 2.64Å; P345-L347 VanDerWaalsContact C-N 3.28Å; P345-L347 PolarHBondContact O-N 2.83Å; L347-S350 WeakPolarHBondContact O-CB 3.46Å; L347-S350 PolarHBondContact O-N 2.98Å; L347-S350 PolarHBondContact O-OG 3Å
348	V	91.3	Very high	89.5	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-69	-38	-177.1	-173.6	0	0	0	0	111.4	L302 L339 C342 P345 D346 S350 V351 L379 W383	L302-V348 HydrophobicContact CD1-CB 4.3Å; L302-V348 HydrophobicContact CD1-CG1 4.12Å; L302-V348 HydrophobicContact CD1-CG2 3.99Å; L302-V348 HydrophobicContact CD2-CG1 4.1Å; L339-V348 HydrophobicContact CD2-CB 4.19Å; L339-V348 HydrophobicContact CD2-CG1 3.71Å; L339-V348 HydrophobicContact CD2-CG2 3.78Å; C342-V348 HydrophobicContact CB-CG2 4Å; P345-V348 PolarHBondContact O-N 3.17Å; P345-V348 VanDerWaalsContact O-N 3.15Å; D346-V348 VanDerWaalsContact C-N 3.32Å; D346-V348 PolarHBondContact O-N 3.13Å; V348-S350 PolarHBondContact O-N 3.16Å; V348-V351 PolarHBondContact O-N 3.11Å; V348-L379 HydrophobicContact CG1-CD2 4.07Å; V348-W383 HydrophobicContact CG1-CZ2 3.96Å; V348-W383 PolarHBondContact O-NE1 2.89Å
349	R	92.9	Very high	89.8	Confident	109 Å²	109	47.5 Å²	47.5	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-27	174.3	-73.9	160.8	176.2	176.9	-2.7	112.9	P345 D346 V351 L378 L379	P345-R349 WeakPolarHBondContact O-CG 3.3Å; P345-R349 PolarHBondContact O-N 3.34Å; P345-R349 VanDerWaalsContact O-N 3.1Å; D346-R349 PolarHBondContact O-N 3.2Å; D346-R349 IonicContact OD1-NH1 2.86Å; R349-V351 VanDerWaalsContact C-N 3.29Å; R349-V351 PolarHBondContact O-N 3.19Å; R349-L378 PolarHBondContact NE-O 2.9Å; R349-L378 PolarHBondContact NH2-O 2.87Å; R349-L379 VanDerWaalsContact CG-O 3.27Å; R349-L379 WeakPolarHBondContact CG-O 3.17Å
350	S	92.4	Very high	90.2	Very high	73 Å²	73	45.5 Å²	45.5	51%	0.51	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-13	176.7	81.2	0	0	0	0	114.2	D346 L347 V348 I352	D346-S350 PolarHBondContact O-N 3.36Å; L347-S350 WeakPolarHBondContact O-CB 3.46Å; L347-S350 PolarHBondContact O-N 2.98Å; L347-S350 PolarHBondContact O-OG 3Å; V348-S350 PolarHBondContact O-N 3.16Å; S350-I352 VanDerWaalsContact C-N 3.32Å; S350-I352 PolarHBondContact O-N 3.14Å
351	V	94.7	Very high	90.6	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.03	24%	0.238	C	C	.	.			trans	-79.8	75.1	-177.5	-169.7	0	0	0	0	111.4	I299 L302 Q303 K306 V348 R349	I299-V351 HydrophobicContact CG1-CG2 4.36Å; L302-V351 HydrophobicContact CB-CB 4.44Å; L302-V351 HydrophobicContact CB-CG1 4.07Å; L302-V351 HydrophobicContact CB-CG2 4.08Å; L302-V351 HydrophobicContact CD1-CG2 3.95Å; Q303-V351 HydrophobicContact CG-CG1 3.61Å; K306-V351 HydrophobicContact CD-CG1 4.25Å; K306-V351 PolarHBondContact NZ-O 2.75Å; V348-V351 PolarHBondContact O-N 3.11Å; R349-V351 VanDerWaalsContact C-N 3.29Å; R349-V351 PolarHBondContact O-N 3.19Å
352	I	94.4	Very high	91.2	Very high	38 Å²	38	40.5 Å²	40.5	20%	0.195	24%	0.243	C	C	.	.			trans	-77.7	-43.3	-178.9	-49.2	-54	0	0	0	112.6	K306 S350 P354 H355 W390 A396	K306-I352 PolarHBondContact NZ-O 3.13Å; S350-I352 VanDerWaalsContact C-N 3.32Å; S350-I352 PolarHBondContact O-N 3.14Å; I352-P354 CarbonylContact O-C 3.53Å; I352-H355 PolarHBondContact O-N 3.27Å; I352-W390 HydrophobicContact CD1-CH2 4.05Å; I352-W390 HydrophobicContact CG2-CH2 4.03Å; I352-W390 HydrophobicContact CG2-CZ2 4.18Å; I352-W390 HydrophobicContact CG2-CZ3 4.27Å; I352-A396 HydrophobicContact CB-CB 3.85Å; I352-A396 HydrophobicContact CG2-CB 3.7Å
353	S	93.3	Very high	92.2	Very high	12 Å²	12	40.6 Å²	40.6	8%	0.084	24%	0.242	C	C	.	.	S	Bend	trans	-92.6	137.9	-179.3	-173.5	0	0	0	0	112	Q303 P397	Q303-S353 VanDerWaalsContact CG-O 3.29Å; Q303-S353 WeakPolarHBondContact CG-O 3.48Å; Q303-S353 PolarHBondContact NE2-O 2.82Å; S353-P397 WeakPolarHBondContact CB-O 3.49Å; S353-P397 PolarHBondContact OG-O 2.86Å
354	P	95.1	Very high	93.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	S	Bend	cis	-67.4	147	-10.8	29.1	-31.9	0	0	0	110.1	K306 L307 I352 Y399	K306-P354 HydrophobicContact CB-CG 3.87Å; K306-P354 WeakPolarHBondContact CE-O 3.28Å; K306-P354 PolarHBondContact NZ-O 3.4Å; L307-P354 HydrophobicContact CB-CG 4.25Å; I352-P354 CarbonylContact O-C 3.53Å; P354-Y399 HydrophobicContact CB-CD1 4.27Å; P354-Y399 HydrophobicContact CB-CG 4.29Å; P354-Y399 HydrophobicContact CG-CD1 3.82Å; P354-Y399 HydrophobicContact CG-CE1 4.5Å; P354-Y399 HydrophobicContact CG-CG 4.15Å
355	H	95.4	Very high	94.4	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-64.2	162.1	167.4	-50.6	91.6	0	0	0	109.3	N310 I352 R387 W390 A396 W419	N310-H355 PolarHBondContact ND2-O 2.88Å; I352-H355 PolarHBondContact O-N 3.27Å; H355-R387 HydrophobicContact CB-CB 3.89Å; H355-R387 HydrophobicContact CB-CG 4.37Å; H355-R387 WeakPolarHBondContact ND1-CD 3.36Å; H355-W390 AromaticContact CD2-CD1 3.98Å; H355-A396 PolarHBondContact CE1-N 3.34Å; H355-A396 VanDerWaalsContact CE1-N 3.26Å; H355-A396 PolarHBondContact CE1-O 2.97Å; H355-A396 PolarHBondContact NE2-N 3.2Å; H355-A396 VanDerWaalsContact NE2-N 3.16Å; H355-W419 WeakPolarHBondContact O-CB 3.41Å
356	L	96.6	Very high	95	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-88.5	141.7	164.7	-61.9	-168.8	0	0	0	109.6	K306 L309 N310 A360 V361 L364 F376 W383 P386 R387	K306-L356 HydrophobicContact CB-CD2 4Å; K306-L356 HydrophobicContact CG-CD2 4.46Å; K306-L356 WeakPolarHBondContact O-CD2 3.24Å; L309-L356 HydrophobicContact CB-CD2 4.45Å; N310-L356 WeakPolarHBondContact OD1-CA 3.4Å; L356-A360 HydrophobicContact CB-CB 4.36Å; L356-V361 HydrophobicContact CB-CG2 3.75Å; L356-V361 HydrophobicContact CD1-CG2 4.33Å; L356-L364 HydrophobicContact CD1-CD1 3.66Å; L356-F376 HydrophobicContact CD1-CE2 4.14Å; L356-F376 HydrophobicContact CD1-CZ 4.25Å; L356-W383 WeakPolarHBondContact CD1-O 3.37Å; L356-P386 CarbonylContact O-C 3.59Å; L356-P386 WeakPolarHBondContact O-CA 3.24Å; L356-R387 PolarHBondContact O-N 2.67Å
357	S	96.3	Very high	95.5	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.028	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-69.6	160.3	170.7	53.8	0	0	0	0	111.5	N310 D359 A360 V361 E422	N310-S357 PolarHBondContact OD1-N 2.89Å; N310-S357 PolarHBondContact OD1-OG 3.15Å; S357-D359 PolarHBondContact O-N 2.92Å; S357-A360 PolarHBondContact O-N 3.35Å; S357-A360 WeakPolarHBondContact OG-CB 3.44Å; S357-A360 PolarHBondContact OG-N 3.38Å; S357-V361 PolarHBondContact O-N 3.27Å; S357-E422 WeakPolarHBondContact CA-OE2 3.35Å; S357-E422 WeakPolarHBondContact CB-OE1 3.26Å
358	M	96	Very high	95.8	Very high	73 Å²	73	37 Å²	37	36%	0.36	20%	0.198	S	C	.	.	H	α-helix	trans	-51.1	-48.4	169.3	-168.5	76.5	-159.6	0	0	110.9	A360 V361 D362 P386 E422	M358-A360 PolarHBondContact O-N 3.01Å; M358-A360 VanDerWaalsContact O-N 3.12Å; M358-V361 PolarHBondContact O-N 2.95Å; M358-D362 WeakPolarHBondContact O-CB 3.14Å; M358-D362 PolarHBondContact O-N 3.37Å; M358-P386 HydrophobicContact CB-CB 4.3Å; M358-P386 HydrophobicContact SD-CB 3.95Å; M358-P386 HydrophobicContact SD-CG 3.57Å; M358-P386 VanDerWaalsContact SD-CG 3.57Å; M358-E422 PolarHBondContact N-OE2 3.38Å
359	D	96	Very high	96.1	Very high	90 Å²	90	39.8 Å²	39.8	48%	0.481	22%	0.215	S	C	.	.	H	α-helix	trans	-60.4	-22.4	179.3	-139.2	-18	0	0	0	113.5	K316 S357 F363	K316-D359 PolarHBondContact NZ-O 3.32Å; K316-D359 IonicContact NZ-OD1 2.71Å; K316-D359 PolarHBondContact NZ-OD1 3.18Å; S357-D359 PolarHBondContact O-N 2.92Å; D359-F363 WeakPolarHBondContact O-CB 3.18Å; D359-F363 PolarHBondContact O-N 3.1Å
360	A	97.6	Very high	96.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-91.3	-41.8	176	0	0	0	0	0	112.8	N310 A313 L356 S357 M358 F363 L364	N310-A360 WeakPolarHBondContact OD1-CB 3.47Å; A313-A360 VanDerWaalsContact CB-CA 3.46Å; A313-A360 HydrophobicContact CB-CB 3.65Å; L356-A360 HydrophobicContact CB-CB 4.36Å; S357-A360 PolarHBondContact O-N 3.35Å; S357-A360 WeakPolarHBondContact OG-CB 3.44Å; S357-A360 PolarHBondContact OG-N 3.38Å; M358-A360 PolarHBondContact O-N 3.01Å; M358-A360 VanDerWaalsContact O-N 3.12Å; A360-F363 PolarHBondContact O-N 3.33Å; A360-L364 VanDerWaalsContact O-CG 3.29Å; A360-L364 WeakPolarHBondContact O-CG 3.18Å; A360-L364 PolarHBondContact O-N 2.98Å
361	V	97.8	Very high	96.6	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-44.9	174.7	173.5	0	0	0	0	110.7	L356 S357 M358 F363 L364 R365 P386	L356-V361 HydrophobicContact CB-CG2 3.75Å; L356-V361 HydrophobicContact CD1-CG2 4.33Å; S357-V361 PolarHBondContact O-N 3.27Å; M358-V361 PolarHBondContact O-N 2.95Å; V361-F363 PolarHBondContact O-N 3.47Å; V361-L364 PolarHBondContact O-N 2.95Å; V361-R365 HydrophobicContact CG1-CG 4.41Å; V361-R365 WeakPolarHBondContact O-CB 3.25Å; V361-R365 VanDerWaalsContact O-CG 3.24Å; V361-R365 WeakPolarHBondContact O-CG 3.28Å; V361-R365 PolarHBondContact O-N 3.41Å; V361-P386 HydrophobicContact CB-CB 4.16Å; V361-P386 HydrophobicContact CG2-CB 3.81Å
362	D	97.6	Very high	96.7	Very high	85 Å²	85	43.6 Å²	43.6	46%	0.455	24%	0.237	S	C	.	.	H	α-helix	trans	-64.8	-39.1	175.6	-73	-20.9	0	0	0	112.1	M358 R365 G366	M358-D362 WeakPolarHBondContact O-CB 3.14Å; M358-D362 PolarHBondContact O-N 3.37Å; D362-R365 PolarHBondContact O-N 2.65Å; D362-G366 PolarHBondContact O-N 3.14Å
363	F	97.9	Very high	96.9	Very high	12 Å²	12	44 Å²	44	5%	0.053	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-42.7	176.2	178.2	-115.4	0	0	0	111.9	L312 A313 K316 A324 P325 V328 D359 A360 V361 G366 H367	L312-F363 HydrophobicContact CB-CE1 4.35Å; A313-F363 HydrophobicContact CB-CB 4Å; A313-F363 HydrophobicContact CB-CD1 3.75Å; A313-F363 HydrophobicContact CB-CG 4.09Å; K316-F363 HydrophobicContact CB-CE2 4.01Å; K316-F363 HydrophobicContact CB-CZ 4.21Å; K316-F363 HydrophobicContact CD-CD2 3.69Å; K316-F363 HydrophobicContact CD-CE2 3.99Å; K316-F363 HydrophobicContact CD-CG 4.24Å; A324-F363 HydrophobicContact CB-CE1 4.31Å; A324-F363 HydrophobicContact CB-CZ 3.75Å; P325-F363 HydrophobicContact CG-CE2 4.17Å; P325-F363 HydrophobicContact CG-CZ 4.03Å; V328-F363 HydrophobicContact CG2-CD1 4.43Å; V328-F363 HydrophobicContact CG2-CE1 3.72Å; V328-F363 HydrophobicContact CG2-CZ 4.48Å; D359-F363 WeakPolarHBondContact O-CB 3.18Å; D359-F363 PolarHBondContact O-N 3.1Å; A360-F363 PolarHBondContact O-N 3.33Å; V361-F363 PolarHBondContact O-N 3.47Å; F363-G366 PolarHBondContact O-N 2.87Å; F363-H367 AromaticContact CD2-CE1 3.46Å; F363-H367 VanDerWaalsContact CD2-CE1 3.46Å; F363-H367 WeakPolarHBondContact CD2-CE1 3.3Å; F363-H367 AromaticContact CD2-ND1 3.47Å; F363-H367 WeakPolarHBondContact CD2-ND1 3.41Å; F363-H367 AromaticContact CE2-CE1 3.44Å; F363-H367 VanDerWaalsContact CE2-CE1 3.44Å; F363-H367 WeakPolarHBondContact CE2-CE1 3.49Å; F363-H367 AromaticContact CE2-ND1 3.56Å; F363-H367 AromaticContact CE2-NE2 3.98Å; F363-H367 PolarHBondContact O-N 3.34Å; F363-H367 PolarHBondContact O-ND1 3.01Å
364	L	98.1	Very high	97	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-52.4	174.5	-68.9	168.7	0	0	0	111.3	L309 V328 F332 L356 A360 V361 G366 H367 L368 F376	L309-L364 HydrophobicContact CD1-CD1 4.25Å; L309-L364 HydrophobicContact CD2-CD2 4.11Å; V328-L364 HydrophobicContact CG1-CD2 3.71Å; V328-L364 HydrophobicContact CG2-CD2 4.22Å; F332-L364 HydrophobicContact CE2-CD2 4.27Å; L356-L364 HydrophobicContact CD1-CD1 3.66Å; A360-L364 VanDerWaalsContact O-CG 3.29Å; A360-L364 WeakPolarHBondContact O-CG 3.18Å; A360-L364 PolarHBondContact O-N 2.98Å; V361-L364 PolarHBondContact O-N 2.95Å; L364-G366 PolarHBondContact O-N 3.39Å; L364-H367 PolarHBondContact O-N 3.19Å; L364-L368 HydrophobicContact CB-CD1 4.19Å; L364-L368 HydrophobicContact CB-CG 4.33Å; L364-L368 HydrophobicContact CD2-CD2 4.2Å; L364-L368 HydrophobicContact CD2-CG 4.42Å; L364-L368 WeakPolarHBondContact O-CG 3.32Å; L364-L368 PolarHBondContact O-N 3.44Å; L364-F376 HydrophobicContact CD1-CD2 4.49Å; L364-F376 HydrophobicContact CD1-CE2 3.73Å; L364-F376 HydrophobicContact CD1-CZ 3.75Å
365	R	97.3	Very high	97	Very high	104 Å²	104	49.5 Å²	49.5	39%	0.392	27%	0.267	S	S	.	.	H	α-helix	trans	-56.3	-27.4	179.8	-71.2	174.5	-177.9	-67.6	-11	113.1	V361 D362 M373 E377 T384	V361-R365 HydrophobicContact CG1-CG 4.41Å; V361-R365 WeakPolarHBondContact O-CB 3.25Å; V361-R365 VanDerWaalsContact O-CG 3.24Å; V361-R365 WeakPolarHBondContact O-CG 3.28Å; V361-R365 PolarHBondContact O-N 3.41Å; D362-R365 PolarHBondContact O-N 2.65Å; R365-M373 HydrophobicContact CG-CE 4.09Å; R365-E377 IonicContact CZ-OE1 2.77Å; R365-E377 VanDerWaalsContact CZ-OE1 3.28Å; R365-E377 IonicContact NH1-OE1 3.74Å; R365-E377 PolarHBondContact NH1-OE1 3.44Å; R365-E377 IonicContact NH2-OE1 3.95Å; R365-E377 PolarHBondContact NH2-OE1 3.03Å; R365-E377 IonicContact NH2-OE2 2.66Å; R365-T384 PolarHBondContact NH2-O 3.12Å
366	G	97.3	Very high	97	Very high	59 Å²	59	49.4 Å²	49.4	61%	0.608	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-12.1	176	0	0	0	0	0	116.9	D362 F363 L364	D362-G366 PolarHBondContact O-N 3.14Å; F363-G366 PolarHBondContact O-N 2.87Å; L364-G366 PolarHBondContact O-N 3.39Å
367	H	96.9	Very high	97	Very high	81 Å²	81	53 Å²	53	38%	0.375	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-19.8	-172.4	-62.8	85.4	0	0	0	115.5	P325 H329 F363 L364	P325-H367 HydrophobicContact CB-CB 4.42Å; H329-H367 PolarHBondContact CE1-O 2.84Å; H329-H367 VanDerWaalsContact CE1-O 3.26Å; F363-H367 AromaticContact CD2-CE1 3.46Å; F363-H367 VanDerWaalsContact CD2-CE1 3.46Å; F363-H367 WeakPolarHBondContact CD2-CE1 3.3Å; F363-H367 AromaticContact CD2-ND1 3.47Å; F363-H367 WeakPolarHBondContact CD2-ND1 3.41Å; F363-H367 AromaticContact CE2-CE1 3.44Å; F363-H367 VanDerWaalsContact CE2-CE1 3.44Å; F363-H367 WeakPolarHBondContact CE2-CE1 3.49Å; F363-H367 AromaticContact CE2-ND1 3.56Å; F363-H367 AromaticContact CE2-NE2 3.98Å; F363-H367 PolarHBondContact O-N 3.34Å; F363-H367 PolarHBondContact O-ND1 3.01Å; L364-H367 PolarHBondContact O-N 3.19Å
368	L	97.7	Very high	96.9	Very high	20 Å²	20	57.7 Å²	57.7	11%	0.105	31%	0.308	C	S	.	.			trans	-66.7	138.9	179	-65.4	-177.3	0	0	0	112.4	V328 F332 L364 E372 M373 F376	V328-L368 HydrophobicContact CG1-CD2 3.46Å; V328-L368 VanDerWaalsContact CG1-CD2 3.46Å; F332-L368 HydrophobicContact CD1-CD2 4.27Å; F332-L368 HydrophobicContact CD2-CD2 3.97Å; F332-L368 HydrophobicContact CE1-CD1 3.89Å; F332-L368 HydrophobicContact CE1-CD2 3.92Å; F332-L368 HydrophobicContact CE2-CD1 4.36Å; F332-L368 HydrophobicContact CE2-CD2 3.58Å; F332-L368 HydrophobicContact CG-CD2 4.3Å; F332-L368 HydrophobicContact CZ-CD1 3.57Å; F332-L368 HydrophobicContact CZ-CD2 3.56Å; F332-L368 HydrophobicContact CZ-CG 4.23Å; L364-L368 HydrophobicContact CB-CD1 4.19Å; L364-L368 HydrophobicContact CB-CG 4.33Å; L364-L368 HydrophobicContact CD2-CD2 4.2Å; L364-L368 HydrophobicContact CD2-CG 4.42Å; L364-L368 WeakPolarHBondContact O-CG 3.32Å; L364-L368 PolarHBondContact O-N 3.44Å; L368-E372 HydrophobicContact CB-CB 4.02Å; L368-E372 HydrophobicContact CD2-CB 4.02Å; L368-E372 HydrophobicContact CG-CB 4.4Å; L368-M373 HydrophobicContact CB-CB 4.15Å; L368-M373 HydrophobicContact CD1-SD 4.27Å; L368-F376 HydrophobicContact CD1-CB 3.8Å; L368-F376 HydrophobicContact CD1-CD1 4.19Å; L368-F376 HydrophobicContact CD1-CG 3.98Å
369	T	97.6	Very high	96.8	Very high	62 Å²	62	54.6 Å²	54.6	38%	0.38	29%	0.292	S	S	.	.			trans	-67.5	161.5	169.5	65.3	0	0	0	0	111.1	K371 E372 M373	T369-K371 PolarHBondContact O-N 2.83Å; T369-K371 VanDerWaalsContact O-N 3.07Å; T369-E372 VanDerWaalsContact CB-OE2 3.22Å; T369-E372 WeakPolarHBondContact CB-OE2 3.4Å; T369-E372 VanDerWaalsContact CG2-OE2 3.26Å; T369-E372 WeakPolarHBondContact CG2-OE2 3.45Å; T369-E372 PolarHBondContact N-OE2 2.92Å; T369-E372 PolarHBondContact O-N 2.95Å; T369-E372 VanDerWaalsContact OG1-CD 3.29Å; T369-E372 WeakPolarHBondContact OG1-CG 3.44Å; T369-E372 PolarHBondContact OG1-OE2 3.41Å; T369-M373 WeakPolarHBondContact O-CB 3.44Å; T369-M373 PolarHBondContact O-N 3.49Å
370	P	97.8	Very high	96.7	Very high	119 Å²	119	51.3 Å²	51.3	77%	0.773	28%	0.28	S	S	*	.	H	α-helix	trans	-56.9	-27	179.5	-28.5	36.6	0	0	0	115.4	N374	P370-N374 WeakPolarHBondContact O-CB 3.4Å; P370-N374 PolarHBondContact O-N 3.1Å
371	K	96.6	Very high	96.5	Very high	126 Å²	126	55.1 Å²	55.1	55%	0.548	30%	0.301	S	S	.	.	H	α-helix	trans	-70.3	-51.8	173.4	-172.1	-156.7	176.1	-169.2	0	110.7	E336 T369 N374 M375	E336-K371 WeakPolarHBondContact OE1-CE 3.33Å; E336-K371 IonicContact OE1-NZ 3.82Å; E336-K371 PolarHBondContact OE1-NZ 2.97Å; E336-K371 IonicContact OE2-NZ 3.76Å; E336-K371 PolarHBondContact OE2-NZ 2.9Å; T369-K371 PolarHBondContact O-N 2.83Å; T369-K371 VanDerWaalsContact O-N 3.07Å; K371-N374 PolarHBondContact O-N 3.23Å; K371-M375 PolarHBondContact O-N 3.23Å
372	E	97.5	Very high	96.3	Very high	22 Å²	22	55.2 Å²	55.2	10%	0.103	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-39.7	-178.2	-66.5	165.1	129.8	0	0	111.5	H329 F332 L368 T369 M375 F376	H329-E372 IonicContact CE1-OE1 3.88Å; H329-E372 IonicContact CE1-OE2 3.3Å; H329-E372 PolarHBondContact CE1-OE2 3.49Å; H329-E372 VanDerWaalsContact CE1-OE2 3.3Å; H329-E372 IonicContact CG-OE1 3.7Å; H329-E372 VanDerWaalsContact ND1-CD 3.3Å; H329-E372 IonicContact ND1-OE1 2.84Å; H329-E372 PolarHBondContact ND1-OE1 2.88Å; H329-E372 IonicContact ND1-OE2 3.01Å; H329-E372 PolarHBondContact ND1-OE2 2.68Å; F332-E372 HydrophobicContact CB-CG 4.05Å; F332-E372 HydrophobicContact CD1-CB 3.47Å; F332-E372 VanDerWaalsContact CD1-CB 3.47Å; F332-E372 HydrophobicContact CD1-CG 3.65Å; F332-E372 HydrophobicContact CE1-CB 3.82Å; F332-E372 HydrophobicContact CE1-CG 4.48Å; F332-E372 WeakPolarHBondContact CE1-O 3.4Å; F332-E372 HydrophobicContact CG-CB 4.25Å; F332-E372 HydrophobicContact CG-CG 4.07Å; L368-E372 HydrophobicContact CB-CB 4.02Å; L368-E372 HydrophobicContact CD2-CB 4.02Å; L368-E372 HydrophobicContact CG-CB 4.4Å; T369-E372 VanDerWaalsContact CB-OE2 3.22Å; T369-E372 WeakPolarHBondContact CB-OE2 3.4Å; T369-E372 VanDerWaalsContact CG2-OE2 3.26Å; T369-E372 WeakPolarHBondContact CG2-OE2 3.45Å; T369-E372 PolarHBondContact N-OE2 2.92Å; T369-E372 PolarHBondContact O-N 2.95Å; T369-E372 VanDerWaalsContact OG1-CD 3.29Å; T369-E372 WeakPolarHBondContact OG1-CG 3.44Å; T369-E372 PolarHBondContact OG1-OE2 3.41Å; E372-M375 CarbonylContact O-C 3.57Å; E372-M375 WeakPolarHBondContact O-CB 3.47Å; E372-M375 PolarHBondContact O-N 3.16Å; E372-F376 WeakPolarHBondContact O-CB 3.38Å; E372-F376 PolarHBondContact O-N 3.4Å
373	M	97.6	Very high	96.2	Very high	47 Å²	47	51.2 Å²	51.2	23%	0.232	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-42.8	177.4	-173.4	61	-163.3	0	0	112	R365 L368 T369 F376 E377	R365-M373 HydrophobicContact CG-CE 4.09Å; L368-M373 HydrophobicContact CB-CB 4.15Å; L368-M373 HydrophobicContact CD1-SD 4.27Å; T369-M373 WeakPolarHBondContact O-CB 3.44Å; T369-M373 PolarHBondContact O-N 3.49Å; M373-F376 PolarHBondContact O-N 3.26Å; M373-F376 HydrophobicContact SD-CD1 4.33Å; M373-E377 HydrophobicContact CE-CG 3.91Å; M373-E377 WeakPolarHBondContact CE-OE1 3.4Å; M373-E377 WeakPolarHBondContact O-CG 3.21Å; M373-E377 PolarHBondContact O-N 2.9Å
374	N	96.4	Very high	96.1	Very high	102 Å²	102	51.3 Å²	51.3	55%	0.545	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-44.3	172.6	-174.8	1.8	0	0	0	111	P370 K371 F376 E377 L378	P370-N374 WeakPolarHBondContact O-CB 3.4Å; P370-N374 PolarHBondContact O-N 3.1Å; K371-N374 PolarHBondContact O-N 3.23Å; N374-F376 VanDerWaalsContact C-N 3.33Å; N374-F376 PolarHBondContact O-N 3.16Å; N374-E377 PolarHBondContact O-N 3.34Å; N374-L378 WeakPolarHBondContact O-CG 3.26Å; N374-L378 PolarHBondContact O-N 3.23Å; N374-L378 VanDerWaalsContact O-N 3.11Å
375	M	95	Very high	96	Very high	25 Å²	25	54.6 Å²	54.6	12%	0.123	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-41.1	175.9	-169.3	169.8	75.4	0	0	112.4	F332 L335 E336 L339 K371 E372 L378 L379	F332-M375 HydrophobicContact CB-CE 4.41Å; F332-M375 HydrophobicContact CD1-CE 3.46Å; F332-M375 VanDerWaalsContact CD1-CE 3.46Å; F332-M375 HydrophobicContact CE1-CE 4.05Å; F332-M375 HydrophobicContact CG-CE 4.27Å; L335-M375 HydrophobicContact CB-CE 4.41Å; L335-M375 HydrophobicContact CD2-CE 4.11Å; L335-M375 HydrophobicContact CG-CE 4.11Å; E336-M375 HydrophobicContact CB-CE 3.9Å; E336-M375 HydrophobicContact CB-SD 3.75Å; E336-M375 HydrophobicContact CG-SD 4.01Å; L339-M375 HydrophobicContact CD1-CE 4.33Å; L339-M375 HydrophobicContact CD1-CG 3.54Å; L339-M375 HydrophobicContact CD1-SD 3.57Å; L339-M375 VanDerWaalsContact CD1-SD 3.57Å; K371-M375 PolarHBondContact O-N 3.23Å; E372-M375 CarbonylContact O-C 3.57Å; E372-M375 WeakPolarHBondContact O-CB 3.47Å; E372-M375 PolarHBondContact O-N 3.16Å; M375-L378 PolarHBondContact O-N 3.43Å; M375-L379 WeakPolarHBondContact O-CG 3.2Å
376	F	96.4	Very high	95.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-44.7	177.5	-180	-115.7	0	0	0	112.3	F332 L356 L364 L368 E372 M373 N374 L378 L379 W383 T384	F332-F376 HydrophobicContact CE1-CB 4.2Å; F332-F376 HydrophobicContact CZ-CB 4.25Å; F332-F376 HydrophobicContact CZ-CD2 4.34Å; L356-F376 HydrophobicContact CD1-CE2 4.14Å; L356-F376 HydrophobicContact CD1-CZ 4.25Å; L364-F376 HydrophobicContact CD1-CD2 4.49Å; L364-F376 HydrophobicContact CD1-CE2 3.73Å; L364-F376 HydrophobicContact CD1-CZ 3.75Å; L368-F376 HydrophobicContact CD1-CB 3.8Å; L368-F376 HydrophobicContact CD1-CD1 4.19Å; L368-F376 HydrophobicContact CD1-CG 3.98Å; E372-F376 WeakPolarHBondContact O-CB 3.38Å; E372-F376 PolarHBondContact O-N 3.4Å; M373-F376 PolarHBondContact O-N 3.26Å; M373-F376 HydrophobicContact SD-CD1 4.33Å; N374-F376 VanDerWaalsContact C-N 3.33Å; N374-F376 PolarHBondContact O-N 3.16Å; F376-L378 VanDerWaalsContact C-N 3.32Å; F376-L378 PolarHBondContact O-N 3.49Å; F376-L379 HydrophobicContact CD2-CD1 4.18Å; F376-L379 VanDerWaalsContact O-CB 3.29Å; F376-L379 WeakPolarHBondContact O-CB 3.36Å; F376-L379 WeakPolarHBondContact O-CG 3.4Å; F376-L379 PolarHBondContact O-N 3Å; F376-W383 HydrophobicContact CE2-CB 4.15Å; F376-W383 WeakPolarHBondContact CE2-O 3.26Å; F376-W383 VanDerWaalsContact CZ-O 3.27Å; F376-W383 WeakPolarHBondContact CZ-O 3.43Å; F376-T384 HydrophobicContact CD1-CG2 4.29Å; F376-T384 HydrophobicContact CE1-CG2 4.16Å; F376-T384 HydrophobicContact CZ-CG2 4.42Å; F376-T384 WeakPolarHBondContact O-CG2 3.3Å
377	E	95.3	Very high	95.7	Very high	76 Å²	76	48.2 Å²	48.2	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-65.4	-33.3	176.9	-67.6	-66.4	176.2	0	0	112.7	R365 M373 N374 L379 G380 T384	R365-E377 IonicContact CZ-OE1 2.77Å; R365-E377 VanDerWaalsContact CZ-OE1 3.28Å; R365-E377 IonicContact NH1-OE1 3.74Å; R365-E377 PolarHBondContact NH1-OE1 3.44Å; R365-E377 IonicContact NH2-OE1 3.95Å; R365-E377 PolarHBondContact NH2-OE1 3.03Å; R365-E377 IonicContact NH2-OE2 2.66Å; M373-E377 HydrophobicContact CE-CG 3.91Å; M373-E377 WeakPolarHBondContact CE-OE1 3.4Å; M373-E377 WeakPolarHBondContact O-CG 3.21Å; M373-E377 PolarHBondContact O-N 2.9Å; N374-E377 PolarHBondContact O-N 3.34Å; E377-L379 PolarHBondContact O-N 3.39Å; E377-G380 PolarHBondContact O-N 3.38Å; E377-T384 WeakPolarHBondContact OE2-CG2 3.31Å
378	L	93.7	Very high	95.4	Very high	104 Å²	104	45.9 Å²	45.9	55%	0.545	25%	0.247	S	C	.	.	H	α-helix	trans	-66.2	-17.5	176.4	-72.5	168.6	0	0	0	114	R349 N374 M375 F376 G380	R349-L378 PolarHBondContact NE-O 2.9Å; R349-L378 PolarHBondContact NH2-O 2.87Å; N374-L378 WeakPolarHBondContact O-CG 3.26Å; N374-L378 PolarHBondContact O-N 3.23Å; N374-L378 VanDerWaalsContact O-N 3.11Å; M375-L378 PolarHBondContact O-N 3.43Å; F376-L378 VanDerWaalsContact C-N 3.32Å; F376-L378 PolarHBondContact O-N 3.49Å; L378-G380 VanDerWaalsContact C-N 3.26Å
379	L	94.1	Very high	95.1	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.037	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-18.6	172.7	-49.7	-179.8	0	0	0	112.9	L335 L339 V348 R349 M375 F376 E377 W383	L335-L379 HydrophobicContact CD2-CD1 4.25Å; L339-L379 HydrophobicContact CD1-CD2 3.88Å; L339-L379 HydrophobicContact CD2-CD2 3.62Å; L339-L379 HydrophobicContact CG-CD2 4.39Å; V348-L379 HydrophobicContact CG1-CD2 4.07Å; R349-L379 VanDerWaalsContact CG-O 3.27Å; R349-L379 WeakPolarHBondContact CG-O 3.17Å; M375-L379 WeakPolarHBondContact O-CG 3.2Å; F376-L379 HydrophobicContact CD2-CD1 4.18Å; F376-L379 VanDerWaalsContact O-CB 3.29Å; F376-L379 WeakPolarHBondContact O-CB 3.36Å; F376-L379 WeakPolarHBondContact O-CG 3.4Å; F376-L379 PolarHBondContact O-N 3Å; E377-L379 PolarHBondContact O-N 3.39Å; L379-W383 HydrophobicContact CB-CB 3.72Å; L379-W383 HydrophobicContact CB-CD2 4.26Å; L379-W383 HydrophobicContact CB-CG 3.61Å; L379-W383 HydrophobicContact CD1-CB 3.98Å; L379-W383 HydrophobicContact CD1-CD2 3.55Å; L379-W383 HydrophobicContact CD1-CE3 3.59Å; L379-W383 HydrophobicContact CD1-CG 3.72Å; L379-W383 HydrophobicContact CD1-CZ3 4.27Å; L379-W383 HydrophobicContact CG-CB 4.5Å; L379-W383 HydrophobicContact CG-CD2 4.48Å; L379-W383 HydrophobicContact CG-CG 4.29Å
380	G	93.8	Very high	94.8	Very high	22 Å²	22	48.4 Å²	48.4	23%	0.227	25%	0.253	C	S	.	.			trans	69.2	-174.3	177.2	0	0	0	0	0	115.3	E377 L378 G382 W383 T384	E377-G380 PolarHBondContact O-N 3.38Å; L378-G380 VanDerWaalsContact C-N 3.26Å; G380-G382 PolarHBondContact O-N 3.03Å; G380-W383 PolarHBondContact O-N 3.31Å; G380-T384 VanDerWaalsContact C-OG1 3.3Å; G380-T384 PolarHBondContact O-N 2.73Å; G380-T384 PolarHBondContact O-OG1 3.5Å
381	D	93.9	Very high	94.3	Very high	80 Å²	80	45 Å²	45	43%	0.428	23%	0.231	S	C	.	.	H	α-helix	trans	-42.1	-42.2	-170	-71.7	3.1	0	0	0	115.2	W383 T384 R385 W390	D381-W383 PolarHBondContact O-N 2.94Å; D381-T384 WeakPolarHBondContact CA-OG1 3.15Å; D381-T384 PolarHBondContact N-OG1 2.82Å; D381-T384 PolarHBondContact O-N 2.82Å; D381-R385 VanDerWaalsContact CG-CZ 3.49Å; D381-R385 VanDerWaalsContact CG-NH1 3.31Å; D381-R385 VanDerWaalsContact O-CB 3.28Å; D381-R385 WeakPolarHBondContact O-CB 3.44Å; D381-R385 PolarHBondContact O-N 3.04Å; D381-R385 IonicContact OD1-CZ 3.63Å; D381-R385 IonicContact OD1-NH2 3.14Å; D381-R385 PolarHBondContact OD1-NH2 2.8Å; D381-R385 IonicContact OD2-CZ 2.7Å; D381-R385 IonicContact OD2-NH1 3.19Å; D381-R385 PolarHBondContact OD2-NH1 2.72Å; D381-R385 IonicContact OD2-NH2 2.62Å; D381-R385 PolarHBondContact OD2-NH2 3.3Å; D381-W390 HydrophobicContact CB-CH2 4.49Å; D381-W390 HydrophobicContact CB-CZ2 4.33Å
382	G	93.4	Very high	93.5	Very high	5 Å²	5	46.3 Å²	46.3	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-56.3	-24.4	-179.6	0	0	0	0	0	114.2	K306 G380	K306-G382 WeakPolarHBondContact CE-O 3.45Å; K306-G382 PolarHBondContact NZ-O 3.01Å; G380-G382 PolarHBondContact O-N 3.03Å
383	W	95.9	Very high	92.8	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-112.4	-33.4	178.1	-64.7	73.4	0	0	0	112.5	L302 L305 K306 L335 V348 L356 F376 L379 G380 D381	L302-W383 HydrophobicContact CB-CH2 4.27Å; L302-W383 HydrophobicContact CB-CZ2 4.07Å; L302-W383 HydrophobicContact CD2-CH2 3.84Å; L302-W383 HydrophobicContact CD2-CZ2 3.82Å; L302-W383 HydrophobicContact CG-CZ2 4.46Å; L305-W383 HydrophobicContact CB-CH2 4.36Å; K306-W383 HydrophobicContact CD-CD2 4Å; K306-W383 HydrophobicContact CD-CE3 4.11Å; K306-W383 HydrophobicContact CD-CH2 4Å; K306-W383 HydrophobicContact CD-CZ2 3.87Å; K306-W383 HydrophobicContact CD-CZ3 4.12Å; K306-W383 HydrophobicContact CG-CD2 4.12Å; K306-W383 HydrophobicContact CG-CE3 3.69Å; K306-W383 HydrophobicContact CG-CH2 3.51Å; K306-W383 HydrophobicContact CG-CZ2 3.94Å; K306-W383 HydrophobicContact CG-CZ3 3.38Å; L335-W383 HydrophobicContact CD1-CH2 4.16Å; L335-W383 HydrophobicContact CD1-CZ3 4.33Å; V348-W383 HydrophobicContact CG1-CZ2 3.96Å; V348-W383 PolarHBondContact O-NE1 2.89Å; L356-W383 WeakPolarHBondContact CD1-O 3.37Å; F376-W383 HydrophobicContact CE2-CB 4.15Å; F376-W383 WeakPolarHBondContact CE2-O 3.26Å; F376-W383 VanDerWaalsContact CZ-O 3.27Å; F376-W383 WeakPolarHBondContact CZ-O 3.43Å; L379-W383 HydrophobicContact CB-CB 3.72Å; L379-W383 HydrophobicContact CB-CD2 4.26Å; L379-W383 HydrophobicContact CB-CG 3.61Å; L379-W383 HydrophobicContact CD1-CB 3.98Å; L379-W383 HydrophobicContact CD1-CD2 3.55Å; L379-W383 HydrophobicContact CD1-CE3 3.59Å; L379-W383 HydrophobicContact CD1-CG 3.72Å; L379-W383 HydrophobicContact CD1-CZ3 4.27Å; L379-W383 HydrophobicContact CG-CB 4.5Å; L379-W383 HydrophobicContact CG-CD2 4.48Å; L379-W383 HydrophobicContact CG-CG 4.29Å; G380-W383 PolarHBondContact O-N 3.31Å; D381-W383 PolarHBondContact O-N 2.94Å
384	T	96.4	Very high	92.3	Very high	14 Å²	14	54.4 Å²	54.4	9%	0.086	27%	0.274	C	S	.	.	H	α-helix	trans	-92.3	-21.9	-171	62.3	0	0	0	0	114.5	R365 F376 E377 G380 D381	R365-T384 PolarHBondContact NH2-O 3.12Å; F376-T384 HydrophobicContact CD1-CG2 4.29Å; F376-T384 HydrophobicContact CE1-CG2 4.16Å; F376-T384 HydrophobicContact CZ-CG2 4.42Å; F376-T384 WeakPolarHBondContact O-CG2 3.3Å; E377-T384 WeakPolarHBondContact OE2-CG2 3.31Å; G380-T384 VanDerWaalsContact C-OG1 3.3Å; G380-T384 PolarHBondContact O-N 2.73Å; G380-T384 PolarHBondContact O-OG1 3.5Å; D381-T384 WeakPolarHBondContact CA-OG1 3.15Å; D381-T384 PolarHBondContact N-OG1 2.82Å; D381-T384 PolarHBondContact O-N 2.82Å
385	R	95	Very high	91.8	Very high	71 Å²	71	51.3 Å²	51.3	27%	0.268	26%	0.26	S	S	.	.	S	Bend	trans	-92.3	118.1	178.2	-178.2	177.3	-67.2	122.8	15.3	110.8	D381 E389 W390	D381-R385 VanDerWaalsContact CG-CZ 3.49Å; D381-R385 VanDerWaalsContact CG-NH1 3.31Å; D381-R385 VanDerWaalsContact O-CB 3.28Å; D381-R385 WeakPolarHBondContact O-CB 3.44Å; D381-R385 PolarHBondContact O-N 3.04Å; D381-R385 IonicContact OD1-CZ 3.63Å; D381-R385 IonicContact OD1-NH2 3.14Å; D381-R385 PolarHBondContact OD1-NH2 2.8Å; D381-R385 IonicContact OD2-CZ 2.7Å; D381-R385 IonicContact OD2-NH1 3.19Å; D381-R385 PolarHBondContact OD2-NH1 2.72Å; D381-R385 IonicContact OD2-NH2 2.62Å; D381-R385 PolarHBondContact OD2-NH2 3.3Å; R385-E389 HydrophobicContact CG-CB 3.62Å; R385-W390 HydrophobicContact CB-CZ2 4.4Å; R385-W390 PolarHBondContact O-NE1 3.02Å
386	P	95.5	Very high	91.4	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.019	26%	0.262	C	S	.	.			trans	-69	152.2	179.6	28.7	-33.7	0	0	0	111.9	L356 M358 V361 A388 E389	L356-P386 CarbonylContact O-C 3.59Å; L356-P386 WeakPolarHBondContact O-CA 3.24Å; M358-P386 HydrophobicContact CB-CB 4.3Å; M358-P386 HydrophobicContact SD-CB 3.95Å; M358-P386 HydrophobicContact SD-CG 3.57Å; M358-P386 VanDerWaalsContact SD-CG 3.57Å; V361-P386 HydrophobicContact CB-CB 4.16Å; V361-P386 HydrophobicContact CG2-CB 3.81Å; P386-A388 PolarHBondContact O-N 2.72Å; P386-E389 HydrophobicContact CG-CG 4.03Å; P386-E389 WeakPolarHBondContact CG-OE1 3.32Å; P386-E389 PolarHBondContact O-N 3.14Å
387	R	92.8	Very high	91	Very high	25 Å²	25	55.9 Å²	55.9	9%	0.094	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-48	-39	-177.7	176	63.6	-173.6	75.9	15	113.3	H355 L356 E389 W390 C395 W419 E420 E422	H355-R387 HydrophobicContact CB-CB 3.89Å; H355-R387 HydrophobicContact CB-CG 4.37Å; H355-R387 WeakPolarHBondContact ND1-CD 3.36Å; L356-R387 PolarHBondContact O-N 2.67Å; R387-E389 PolarHBondContact O-N 3.26Å; R387-W390 PolarHBondContact O-N 3.25Å; R387-C395 VanDerWaalsContact CZ-SG 3.53Å; R387-C395 PolarHBondContact NH1-SG 3.14Å; R387-W419 VanDerWaalsContact CD-O 3.23Å; R387-W419 WeakPolarHBondContact CD-O 3.43Å; R387-W419 VanDerWaalsContact CG-O 3.26Å; R387-W419 WeakPolarHBondContact CG-O 3.19Å; R387-E420 PolarHBondContact NE-O 2.94Å; R387-E420 PolarHBondContact NH2-O 2.62Å; R387-E422 HydrophobicContact CB-CB 4.06Å; R387-E422 HydrophobicContact CG-CB 3.76Å; R387-E422 PolarHBondContact NH1-O 3.38Å; R387-E422 PolarHBondContact NH2-O 3.19Å
388	A	91.1	Very high	90.6	Very high	33 Å²	33	54.8 Å²	54.8	27%	0.273	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-56.8	-30.4	178.4	0	0	0	0	0	114.5	P386 E422 P424	P386-A388 PolarHBondContact O-N 2.72Å; A388-E422 HydrophobicContact CB-CB 4.14Å; A388-P424 WeakPolarHBondContact O-CD 3.22Å
389	E	92.3	Very high	90.5	Very high	112 Å²	112	50.5 Å²	50.5	52%	0.523	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-90.1	-9.7	-177.6	-69.7	175.9	-151.8	0	0	113.8	R385 P386 R387	R385-E389 HydrophobicContact CG-CB 3.62Å; P386-E389 HydrophobicContact CG-CG 4.03Å; P386-E389 WeakPolarHBondContact CG-OE1 3.32Å; P386-E389 PolarHBondContact O-N 3.14Å; R387-E389 PolarHBondContact O-N 3.26Å
390	W	89.4	Confident	90.4	Very high	22 Å²	22	55 Å²	55	8%	0.083	29%	0.287	C	S	.	.	S	Bend	trans	-76.2	129.1	-179.8	-76.6	82.5	0	0	0	111.8	I352 H355 D381 R385 R387 Q394	I352-W390 HydrophobicContact CD1-CH2 4.05Å; I352-W390 HydrophobicContact CG2-CH2 4.03Å; I352-W390 HydrophobicContact CG2-CZ2 4.18Å; I352-W390 HydrophobicContact CG2-CZ3 4.27Å; H355-W390 AromaticContact CD2-CD1 3.98Å; D381-W390 HydrophobicContact CB-CH2 4.49Å; D381-W390 HydrophobicContact CB-CZ2 4.33Å; R385-W390 HydrophobicContact CB-CZ2 4.4Å; R385-W390 PolarHBondContact O-NE1 3.02Å; R387-W390 PolarHBondContact O-N 3.25Å; W390-Q394 HydrophobicContact CE3-CB 4.28Å
391	P	88.4	Confident	90.3	Very high	47 Å²	47	54.3 Å²	54.3	31%	0.305	28%	0.278	S	S	.	.			trans	-57.4	139.4	169.6	-24.2	35.1	0	0	0	111.1	D393 Q394 C395	P391-D393 WeakPolarHBondContact CB-OD1 3.29Å; P391-D393 PolarHBondContact O-N 3.46Å; P391-D393 VanDerWaalsContact O-N 3.16Å; P391-Q394 HydrophobicContact CB-CB 4.23Å; P391-Q394 HydrophobicContact CB-CG 4.42Å; P391-Q394 CarbonylContact O-C 3.59Å; P391-Q394 WeakPolarHBondContact O-CA 3.48Å; P391-Q394 PolarHBondContact O-N 2.61Å; P391-C395 PolarHBondContact O-N 3.35Å; P391-C395 VanDerWaalsContact O-N 3.12Å; P391-C395 PolarHBondContact O-SG 2.99Å
392	R	79.9	Confident	90.1	Very high	155 Å²	155	57.6 Å²	57.6	59%	0.585	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.8	-173.6	-74.9	-168.2	-75.2	-105.1	2	113.6	P424	R392-P424 PolarHBondContact NH1-O 2.78Å
393	D	82.7	Confident	89.8	Confident	131 Å²	131	57.9 Å²	57.9	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.9	173.8	53.6	-66.2	0	0	0	114.2	P391	P391-D393 WeakPolarHBondContact CB-OD1 3.29Å; P391-D393 PolarHBondContact O-N 3.46Å; P391-D393 VanDerWaalsContact O-N 3.16Å
394	Q	85.9	Confident	89	Confident	108 Å²	108	65.3 Å²	65.3	51%	0.505	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	0.5	-177.6	-71.5	157.3	55.4	0	0	113	W390 P391 A396	W390-Q394 HydrophobicContact CE3-CB 4.28Å; P391-Q394 HydrophobicContact CB-CB 4.23Å; P391-Q394 HydrophobicContact CB-CG 4.42Å; P391-Q394 CarbonylContact O-C 3.59Å; P391-Q394 WeakPolarHBondContact O-CA 3.48Å; P391-Q394 PolarHBondContact O-N 2.61Å; Q394-A396 PolarHBondContact O-N 3.15Å
395	C	86.7	Confident	87.8	Confident	36 Å²	36	69.1 Å²	69.1	24%	0.243	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-66.6	125.5	174.5	-66.2	0	0	0	0	110.3	R387 P391	R387-C395 VanDerWaalsContact CZ-SG 3.53Å; R387-C395 PolarHBondContact NH1-SG 3.14Å; P391-C395 PolarHBondContact O-N 3.35Å; P391-C395 VanDerWaalsContact O-N 3.12Å; P391-C395 PolarHBondContact O-SG 2.99Å
396	A	86.8	Confident	86.8	Confident	21 Å²	21	68.9 Å²	68.9	17%	0.174	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-65.4	153.6	171.5	0	0	0	0	0	111.2	I352 H355 Q394	I352-A396 HydrophobicContact CB-CB 3.85Å; I352-A396 HydrophobicContact CG2-CB 3.7Å; H355-A396 PolarHBondContact CE1-N 3.34Å; H355-A396 VanDerWaalsContact CE1-N 3.26Å; H355-A396 PolarHBondContact CE1-O 2.97Å; H355-A396 PolarHBondContact NE2-N 3.2Å; H355-A396 VanDerWaalsContact NE2-N 3.16Å; Q394-A396 PolarHBondContact O-N 3.15Å
397	P	87.3	Confident	86.1	Confident	101 Å²	101	72.2 Å²	72.2	66%	0.656	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-65.6	154.3	-177.9	27.3	-35.7	0	0	0	112.3	S353 Y399	S353-P397 WeakPolarHBondContact CB-O 3.49Å; S353-P397 PolarHBondContact OG-O 2.86Å; P397-Y399 PolarHBondContact O-N 3.4Å
398	P	88.1	Confident	85.4	Confident	53 Å²	53	77.2 Å²	77.2	34%	0.344	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-56.1	137.2	-176.5	-27.6	35.4	0	0	0	113.8	Y400 L415 E420	P398-Y400 HydrophobicContact CB-CE2 4.18Å; P398-L415 HydrophobicContact CG-CD2 4.45Å; P398-E420 WeakPolarHBondContact CA-OE1 3.12Å; P398-E420 WeakPolarHBondContact CA-OE2 3.25Å; P398-E420 HydrophobicContact CB-CG 4.49Å
399	Y	91.8	Very high	84.9	Confident	13 Å²	13	76.3 Å²	76.3	5%	0.051	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-82.3	130.4	-179.6	-174.7	-124.4	0	0	0	112.1	Q303 L307 P354 P397 P401 E420	Q303-Y399 HydrophobicContact CB-CD2 4.29Å; Q303-Y399 HydrophobicContact CB-CE1 4.19Å; Q303-Y399 HydrophobicContact CB-CE2 3.58Å; Q303-Y399 VanDerWaalsContact CD-CE2 3.49Å; Q303-Y399 HydrophobicContact CG-CE2 4.14Å; L307-Y399 HydrophobicContact CB-CD1 4.43Å; L307-Y399 HydrophobicContact CB-CE1 4.19Å; L307-Y399 HydrophobicContact CD2-CD1 4.28Å; L307-Y399 HydrophobicContact CD2-CE1 3.91Å; P354-Y399 HydrophobicContact CB-CD1 4.27Å; P354-Y399 HydrophobicContact CB-CG 4.29Å; P354-Y399 HydrophobicContact CG-CD1 3.82Å; P354-Y399 HydrophobicContact CG-CE1 4.5Å; P354-Y399 HydrophobicContact CG-CG 4.15Å; P397-Y399 PolarHBondContact O-N 3.4Å; Y399-P401 HydrophobicContact CD1-CB 4.45Å; Y399-P401 HydrophobicContact CE1-CB 3.71Å; Y399-P401 HydrophobicContact CE1-CG 4.38Å; Y399-E420 PolarHBondContact N-OE1 3.1Å; Y399-E420 VanDerWaalsContact N-OE1 3.12Å
400	Y	91.8	Very high	84.4	Confident	102 Å²	102	74.9 Å²	74.9	40%	0.4	38%	0.384	S	S	.	.			trans	-120.2	102.2	171	-60.2	-71.1	0	0	0	108.9	P398 A411 F414 L415	P398-Y400 HydrophobicContact CB-CE2 4.18Å; Y400-A411 HydrophobicContact CD1-CB 4.09Å; Y400-A411 HydrophobicContact CE1-CB 3.66Å; Y400-F414 HydrophobicContact CD1-CB 4.44Å; Y400-F414 HydrophobicContact CD1-CD2 4.19Å; Y400-F414 HydrophobicContact CD1-CG 4.48Å; Y400-F414 HydrophobicContact CE1-CB 4.26Å; Y400-L415 WeakPolarHBondContact OH-CD2 3.38Å
401	P	91.3	Very high	84	Confident	7 Å²	7	76.2 Å²	76.2	5%	0.045	40%	0.4	C	S	.	.			trans	-67.2	142.4	-178.2	28.3	-35.5	0	0	0	111.4	L307 Y399 F403 P409 F414	L307-P401 HydrophobicContact CD2-CB 3.82Å; L307-P401 HydrophobicContact CD2-CG 3.73Å; Y399-P401 HydrophobicContact CD1-CB 4.45Å; Y399-P401 HydrophobicContact CE1-CB 3.71Å; Y399-P401 HydrophobicContact CE1-CG 4.38Å; P401-F403 HydrophobicContact CB-CE1 4.11Å; P401-F403 HydrophobicContact CB-CE2 3.98Å; P401-F403 HydrophobicContact CB-CZ 3.67Å; P401-F403 HydrophobicContact CG-CE2 3.96Å; P401-F403 HydrophobicContact CG-CZ 3.92Å; P401-P409 HydrophobicContact CG-CG 3.93Å; P401-F414 VanDerWaalsContact CD-CZ 3.49Å; P401-F414 HydrophobicContact CG-CE1 3.76Å; P401-F414 HydrophobicContact CG-CE2 4.32Å; P401-F414 HydrophobicContact CG-CZ 3.51Å
402	K	89.5	Confident	83.6	Confident	150 Å²	150	81.3 Å²	81.3	65%	0.652	42%	0.42	S	S	*	.			trans	-117.8	115.6	171.4	-65.6	178.2	-178.6	174.3	0	108.4	K304	K304-K402 WeakPolarHBondContact CE-O 3.39Å; K304-K402 PolarHBondContact NZ-O 2.66Å
403	F	87.3	Confident	83.6	Confident	11 Å²	11	75.5 Å²	75.5	5%	0.048	40%	0.399	C	S	.	.			trans	-94.6	144.2	-175.4	-61.7	-65.4	0	0	0	112	I242 C245 A246 D249 K304 L307 P401 N405 G406 W407 P409	I242-F403 HydrophobicContact CG2-CE2 4.35Å; I242-F403 HydrophobicContact CG2-CZ 3.98Å; C245-F403 VanDerWaalsContact C-CE1 3.45Å; C245-F403 HydrophobicContact CB-CB 4.31Å; C245-F403 HydrophobicContact CB-CD1 3.63Å; C245-F403 HydrophobicContact CB-CD2 3.84Å; C245-F403 HydrophobicContact CB-CE1 3.78Å; C245-F403 HydrophobicContact CB-CE2 3.96Å; C245-F403 HydrophobicContact CB-CG 3.66Å; C245-F403 HydrophobicContact CB-CZ 3.93Å; C245-F403 VanDerWaalsContact O-CD1 3.23Å; C245-F403 WeakPolarHBondContact O-CD1 3.38Å; A246-F403 HydrophobicContact CB-CE1 4.05Å; D249-F403 VanDerWaalsContact OD2-CA 3.24Å; D249-F403 WeakPolarHBondContact OD2-CA 3.42Å; K304-F403 HydrophobicContact CD-CE1 4.48Å; L307-F403 HydrophobicContact CD2-CZ 4.48Å; P401-F403 HydrophobicContact CB-CE1 4.11Å; P401-F403 HydrophobicContact CB-CE2 3.98Å; P401-F403 HydrophobicContact CB-CZ 3.67Å; P401-F403 HydrophobicContact CG-CE2 3.96Å; P401-F403 HydrophobicContact CG-CZ 3.92Å; F403-N405 WeakPolarHBondContact CB-OD1 3.43Å; F403-N405 PolarHBondContact O-N 3.37Å; F403-N405 VanDerWaalsContact O-N 3.16Å; F403-G406 PolarHBondContact O-N 3.04Å; F403-W407 AromaticContact CD2-CE3 3.75Å; F403-W407 HydrophobicContact CD2-CE3 3.75Å; F403-W407 HydrophobicContact CD2-CZ3 4.17Å; F403-W407 AromaticContact CE2-CE3 3.98Å; F403-W407 HydrophobicContact CE2-CE3 3.98Å; F403-W407 AromaticContact CE2-CZ3 3.9Å; F403-W407 HydrophobicContact CE2-CZ3 3.9Å; F403-P409 HydrophobicContact CE2-CG 3.99Å
404	R	77.9	Confident	83.6	Confident	156 Å²	156	69.4 Å²	69.4	59%	0.589	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.5	-175.9	-61.3	172.9	73.3	81.9	8.4	113.4	D249 G406	D249-R404 WeakPolarHBondContact OD1-CB 3.36Å; D249-R404 VanDerWaalsContact OD1-CD 3.25Å; D249-R404 WeakPolarHBondContact OD1-CD 3.28Å; D249-R404 WeakPolarHBondContact OD1-CG 3.49Å; D249-R404 PolarHBondContact OD1-N 3.38Å; D249-R404 PolarHBondContact OD2-N 3.14Å; R404-G406 PolarHBondContact O-N 2.92Å
405	N	71.2	Confident	83.4	Confident	94 Å²	94	68.6 Å²	68.6	50%	0.503	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-6.3	174.3	64.7	14.8	0	0	0	114	C245 F403 W407	C245-N405 PolarHBondContact SG-ND2 3.17Å; C245-N405 VanDerWaalsContact SG-ND2 3.37Å; F403-N405 WeakPolarHBondContact CB-OD1 3.43Å; F403-N405 PolarHBondContact O-N 3.37Å; F403-N405 VanDerWaalsContact O-N 3.16Å; N405-W407 VanDerWaalsContact C-N 3.32Å; N405-W407 VanDerWaalsContact OD1-CB 3.28Å; N405-W407 WeakPolarHBondContact OD1-CB 3.32Å; N405-W407 PolarHBondContact OD1-N 3.49Å
406	G	74.8	Confident	83.1	Confident	66 Å²	66	70.8 Å²	70.8	68%	0.68	38%	0.377	S	S	*	.	S	Bend	trans	79	9.1	-179.9	0	0	0	0	0	114.9	F403 R404	F403-G406 PolarHBondContact O-N 3.04Å; R404-G406 PolarHBondContact O-N 2.92Å
407	W	80.4	Confident	83.1	Confident	73 Å²	73	69.8 Å²	69.8	28%	0.277	37%	0.369	S	S	.	.			trans	-82.4	130.1	171.1	-176.7	73.7	0	0	0	110.3	Q241 I242 C245 F403 N405 P409	Q241-W407 HydrophobicContact CB-CH2 4.14Å; Q241-W407 HydrophobicContact CG-CH2 3.68Å; Q241-W407 HydrophobicContact CG-CZ2 3.91Å; Q241-W407 HydrophobicContact CG-CZ3 4.1Å; Q241-W407 VanDerWaalsContact OE1-CZ2 3.24Å; I242-W407 HydrophobicContact CG1-CH2 3.68Å; I242-W407 HydrophobicContact CG1-CZ3 3.89Å; C245-W407 HydrophobicContact CB-CE3 4.43Å; F403-W407 AromaticContact CD2-CE3 3.75Å; F403-W407 HydrophobicContact CD2-CE3 3.75Å; F403-W407 HydrophobicContact CD2-CZ3 4.17Å; F403-W407 AromaticContact CE2-CE3 3.98Å; F403-W407 HydrophobicContact CE2-CE3 3.98Å; F403-W407 AromaticContact CE2-CZ3 3.9Å; F403-W407 HydrophobicContact CE2-CZ3 3.9Å; N405-W407 VanDerWaalsContact C-N 3.32Å; N405-W407 VanDerWaalsContact OD1-CB 3.28Å; N405-W407 WeakPolarHBondContact OD1-CB 3.32Å; N405-W407 PolarHBondContact OD1-N 3.49Å; W407-P409 HydrophobicContact CH2-CB 3.82Å; W407-P409 HydrophobicContact CZ2-CB 4.32Å; W407-P409 HydrophobicContact CZ3-CB 4Å; W407-P409 HydrophobicContact CZ3-CG 4.22Å
408	E	78.8	Confident	83	Confident	130 Å²	130	67.2 Å²	67.2	61%	0.607	35%	0.353	S	S	*	.			trans	-116.1	113.7	176.7	-67.7	-174.2	147.9	0	0	109.2
409	P	81.5	Confident	82.9	Confident	15 Å²	15	64.9 Å²	64.9	10%	0.097	34%	0.337	C	S	.	.			trans	-68.8	148.3	174.3	26.8	-34.2	0	0	0	111.8	I242 P401 F403 W407 A411 F414	I242-P409 HydrophobicContact CD1-CB 4.02Å; I242-P409 HydrophobicContact CG1-CB 3.98Å; I242-P409 HydrophobicContact CG1-CG 4.39Å; P401-P409 HydrophobicContact CG-CG 3.93Å; F403-P409 HydrophobicContact CE2-CG 3.99Å; W407-P409 HydrophobicContact CH2-CB 3.82Å; W407-P409 HydrophobicContact CZ2-CB 4.32Å; W407-P409 HydrophobicContact CZ3-CB 4Å; W407-P409 HydrophobicContact CZ3-CG 4.22Å; P409-A411 PolarHBondContact O-N 2.86Å; P409-F414 HydrophobicContact CB-CE2 3.84Å; P409-F414 HydrophobicContact CB-CZ 3.99Å; P409-F414 HydrophobicContact CG-CE2 3.59Å; P409-F414 HydrophobicContact CG-CZ 3.53Å
410	P	80.6	Confident	82.6	Confident	81 Å²	81	65.2 Å²	65.2	53%	0.526	34%	0.339	S	S	.	.			trans	-58.8	130.9	-177.6	-25.7	35	0	0	0	113.8	E412 F413	P410-E412 PolarHBondContact O-N 2.89Å; P410-E412 VanDerWaalsContact O-N 3.15Å; P410-F413 VanDerWaalsContact O-CB 3.25Å; P410-F413 WeakPolarHBondContact O-CB 3.49Å; P410-F413 PolarHBondContact O-N 2.98Å
411	A	81.8	Confident	82.1	Confident	51 Å²	51	64.7 Å²	64.7	42%	0.421	35%	0.347	S	S	.	.	H	α-helix	trans	-57	-33.1	-176.6	0	0	0	0	0	114.1	Y400 P409 F413 F414 L415	Y400-A411 HydrophobicContact CD1-CB 4.09Å; Y400-A411 HydrophobicContact CE1-CB 3.66Å; P409-A411 PolarHBondContact O-N 2.86Å; A411-F413 PolarHBondContact O-N 3.02Å; A411-F414 PolarHBondContact O-N 2.87Å; A411-L415 PolarHBondContact O-N 3.38Å
412	E	80	Confident	81.6	Confident	153 Å²	153	66.3 Å²	66.3	72%	0.715	35%	0.353	S	S	*	.	H	α-helix	trans	-58	-26.8	176.7	-61.6	173.6	-176.6	0	0	113.4	P410 F414 T416	P410-E412 PolarHBondContact O-N 2.89Å; P410-E412 VanDerWaalsContact O-N 3.15Å; E412-F414 VanDerWaalsContact C-N 3.35Å; E412-T416 PolarHBondContact O-N 2.76Å; E412-T416 PolarHBondContact O-OG1 2.61Å
413	F	78.8	Confident	80.6	Confident	33 Å²	33	60.7 Å²	60.7	15%	0.145	34%	0.338	C	S	.	.	H	α-helix	trans	-69.9	-32.9	-179.1	-133.3	-104.8	0	0	0	112	R235 K238 D239 I242 P410 A411 T416 S417	R235-F413 HydrophobicContact CB-CZ 4.5Å; R235-F413 HydrophobicContact CG-CE1 4.27Å; R235-F413 HydrophobicContact CG-CE2 4.24Å; R235-F413 HydrophobicContact CG-CZ 3.58Å; K238-F413 HydrophobicContact CB-CE1 4.06Å; K238-F413 HydrophobicContact CB-CE2 4.33Å; K238-F413 HydrophobicContact CB-CZ 3.63Å; K238-F413 HydrophobicContact CD-CE2 3.95Å; K238-F413 HydrophobicContact CD-CZ 4.06Å; K238-F413 HydrophobicContact CG-CZ 4.48Å; D239-F413 WeakPolarHBondContact OD1-CE1 3.37Å; I242-F413 HydrophobicContact CD1-CD1 3.94Å; I242-F413 HydrophobicContact CD1-CE1 4.26Å; P410-F413 VanDerWaalsContact O-CB 3.25Å; P410-F413 WeakPolarHBondContact O-CB 3.49Å; P410-F413 PolarHBondContact O-N 2.98Å; A411-F413 PolarHBondContact O-N 3.02Å; F413-T416 PolarHBondContact O-OG1 3.03Å; F413-S417 PolarHBondContact O-OG 3.3Å
414	F	83.6	Confident	79.3	Confident	4 Å²	4	63 Å²	63	2%	0.018	35%	0.354	C	S	.	.	H	α-helix	trans	-81.5	-43.5	178.5	-58.1	-84.5	0	0	0	111	I242 L307 Y400 P401 P409 A411 E412 T416 S417 E420	I242-F414 HydrophobicContact CD1-CZ 4.08Å; I242-F414 HydrophobicContact CG2-CZ 4.42Å; L307-F414 HydrophobicContact CD1-CE1 4.16Å; L307-F414 HydrophobicContact CD2-CE1 4.38Å; Y400-F414 HydrophobicContact CD1-CB 4.44Å; Y400-F414 HydrophobicContact CD1-CD2 4.19Å; Y400-F414 HydrophobicContact CD1-CG 4.48Å; Y400-F414 HydrophobicContact CE1-CB 4.26Å; P401-F414 VanDerWaalsContact CD-CZ 3.49Å; P401-F414 HydrophobicContact CG-CE1 3.76Å; P401-F414 HydrophobicContact CG-CE2 4.32Å; P401-F414 HydrophobicContact CG-CZ 3.51Å; P409-F414 HydrophobicContact CB-CE2 3.84Å; P409-F414 HydrophobicContact CB-CZ 3.99Å; P409-F414 HydrophobicContact CG-CE2 3.59Å; P409-F414 HydrophobicContact CG-CZ 3.53Å; A411-F414 PolarHBondContact O-N 2.87Å; E412-F414 VanDerWaalsContact C-N 3.35Å; F414-T416 PolarHBondContact O-N 3.41Å; F414-S417 WeakPolarHBondContact O-CB 3.44Å; F414-S417 PolarHBondContact O-N 2.96Å; F414-E420 WeakPolarHBondContact O-CG 3.23Å
415	L	81.4	Confident	78.2	Confident	90 Å²	90	61.3 Å²	61.3	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-57.3	-20.6	175.5	-68.9	173.7	0	0	0	114.1	P398 Y400 A411 T421	P398-L415 HydrophobicContact CG-CD2 4.45Å; Y400-L415 WeakPolarHBondContact OH-CD2 3.38Å; A411-L415 PolarHBondContact O-N 3.38Å; L415-T421 WeakPolarHBondContact O-CG2 3.22Å
416	T	80.8	Confident	77.2	Confident	82 Å²	82	60.7 Å²	60.7	50%	0.503	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	15	179	57.8	0	0	0	0	113.7	R235 E412 F413 F414	R235-T416 PolarHBondContact NH2-O 2.71Å; E412-T416 PolarHBondContact O-N 2.76Å; E412-T416 PolarHBondContact O-OG1 2.61Å; F413-T416 PolarHBondContact O-OG1 3.03Å; F414-T416 PolarHBondContact O-N 3.41Å
417	S	86.4	Confident	75.6	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.007	37%	0.374	C	S	.	.	S	Bend	trans	-94.1	148.1	179.8	-73.2	0	0	0	0	112.7	F413 F414 W419 E420 T421	F413-S417 PolarHBondContact O-OG 3.3Å; F414-S417 WeakPolarHBondContact O-CB 3.44Å; F414-S417 PolarHBondContact O-N 2.96Å; S417-W419 VanDerWaalsContact C-N 3.31Å; S417-W419 VanDerWaalsContact CB-CE2 3.41Å; S417-W419 VanDerWaalsContact CB-CZ2 3.5Å; S417-W419 PolarHBondContact O-N 2.74Å; S417-W419 WeakPolarHBondContact OG-CZ2 3.49Å; S417-E420 PolarHBondContact O-N 3.1Å; S417-T421 PolarHBondContact O-N 2.86Å; S417-T421 VanDerWaalsContact O-N 3.08Å; S417-T421 PolarHBondContact O-OG1 3.46Å; S417-T421 VanDerWaalsContact O-OG1 3.08Å
418	P	84.3	Confident	73.6	Confident	47 Å²	47	67.9 Å²	67.9	31%	0.305	40%	0.401	S	S	.	.	H	α-helix	trans	-58.1	-39.6	-174.4	-24.4	34	0	0	0	113.7	E420 T421 E422	P418-E420 PolarHBondContact O-N 3.3Å; P418-T421 PolarHBondContact O-N 3.06Å; P418-E422 HydrophobicContact CB-CG 4.37Å; P418-E422 WeakPolarHBondContact CB-OE1 3.41Å; P418-E422 VanDerWaalsContact O-CB 3.26Å; P418-E422 WeakPolarHBondContact O-CB 3.47Å; P418-E422 WeakPolarHBondContact O-CG 3.28Å; P418-E422 PolarHBondContact O-N 3.04Å
419	W	87.6	Confident	71.7	Confident	3 Å²	3	67.4 Å²	67.4	1%	0.011	41%	0.409	C	S	.	.	H	α-helix	trans	-67.8	-3.3	178.1	55.7	83.5	0	0	0	115.2	L307 N310 L311 K314 H355 R387 S417	L307-W419 HydrophobicContact CD1-CZ2 4.08Å; N310-W419 HydrophobicContact CB-CD2 3.91Å; N310-W419 HydrophobicContact CB-CE3 3.59Å; N310-W419 HydrophobicContact CB-CH2 4.19Å; N310-W419 HydrophobicContact CB-CZ2 4.49Å; N310-W419 HydrophobicContact CB-CZ3 3.74Å; L311-W419 HydrophobicContact CD2-CH2 3.99Å; L311-W419 HydrophobicContact CG-CH2 4.4Å; K314-W419 HydrophobicContact CD-CH2 4.14Å; K314-W419 HydrophobicContact CD-CZ3 4.15Å; H355-W419 WeakPolarHBondContact O-CB 3.41Å; R387-W419 VanDerWaalsContact CD-O 3.23Å; R387-W419 WeakPolarHBondContact CD-O 3.43Å; R387-W419 VanDerWaalsContact CG-O 3.26Å; R387-W419 WeakPolarHBondContact CG-O 3.19Å; S417-W419 VanDerWaalsContact C-N 3.31Å; S417-W419 VanDerWaalsContact CB-CE2 3.41Å; S417-W419 VanDerWaalsContact CB-CZ2 3.5Å; S417-W419 PolarHBondContact O-N 2.74Å; S417-W419 WeakPolarHBondContact OG-CZ2 3.49Å
420	E	83.8	Confident	69.3	Low	21 Å²	21	72.1 Å²	72.1	10%	0.098	44%	0.442	C	S	.	.	H	α-helix	trans	-109.5	-39.3	167.4	-59.1	-61.2	169.9	0	0	111.6	R387 P398 Y399 F414 S417 P418	R387-E420 PolarHBondContact NE-O 2.94Å; R387-E420 PolarHBondContact NH2-O 2.62Å; P398-E420 WeakPolarHBondContact CA-OE1 3.12Å; P398-E420 WeakPolarHBondContact CA-OE2 3.25Å; P398-E420 HydrophobicContact CB-CG 4.49Å; Y399-E420 PolarHBondContact N-OE1 3.1Å; Y399-E420 VanDerWaalsContact N-OE1 3.12Å; F414-E420 WeakPolarHBondContact O-CG 3.23Å; S417-E420 PolarHBondContact O-N 3.1Å; P418-E420 PolarHBondContact O-N 3.3Å
421	T	81.9	Confident	67.7	Low	91 Å²	91	74.2 Å²	74.2	56%	0.558	46%	0.456	S	S	*	.	H	α-helix	trans	-91	-18.3	-170.2	59	0	0	0	0	115.7	L415 S417 P418	L415-T421 WeakPolarHBondContact O-CG2 3.22Å; S417-T421 PolarHBondContact O-N 2.86Å; S417-T421 VanDerWaalsContact O-N 3.08Å; S417-T421 PolarHBondContact O-OG1 3.46Å; S417-T421 VanDerWaalsContact O-OG1 3.08Å; P418-T421 PolarHBondContact O-N 3.06Å
422	E	81.9	Confident	65.4	Low	40 Å²	40	78.7 Å²	78.7	19%	0.187	48%	0.478	C	S	.	.			trans	-59.9	151	171.9	-78.9	166.9	-153.8	0	0	111.7	S357 M358 R387 A388 P418	S357-E422 WeakPolarHBondContact CA-OE2 3.35Å; S357-E422 WeakPolarHBondContact CB-OE1 3.26Å; M358-E422 PolarHBondContact N-OE2 3.38Å; R387-E422 HydrophobicContact CB-CB 4.06Å; R387-E422 HydrophobicContact CG-CB 3.76Å; R387-E422 PolarHBondContact NH1-O 3.38Å; R387-E422 PolarHBondContact NH2-O 3.19Å; A388-E422 HydrophobicContact CB-CB 4.14Å; P418-E422 HydrophobicContact CB-CG 4.37Å; P418-E422 WeakPolarHBondContact CB-OE1 3.41Å; P418-E422 VanDerWaalsContact O-CB 3.26Å; P418-E422 WeakPolarHBondContact O-CB 3.47Å; P418-E422 WeakPolarHBondContact O-CG 3.28Å; P418-E422 PolarHBondContact O-N 3.04Å
423	G	68	Low	63.1	Low	32 Å²	32	76.7 Å²	76.7	33%	0.33	48%	0.481	S	S	.	.			trans	162.2	172.2	174.8	0	0	0	0	0	113.2
424	P	60.3	Low	61.8	Low	60 Å²	60	80.8 Å²	80.8	39%	0.39	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-60.6	126.1	-178.2	-25.2	35.3	0	0	0	111.7	A388 R392 S426	A388-P424 WeakPolarHBondContact O-CD 3.22Å; R392-P424 PolarHBondContact NH1-O 2.78Å; P424-S426 PolarHBondContact O-N 3.1Å
425	P	54	Low	59.2	Low	121 Å²	121	87.8 Å²	87.8	79%	0.786	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-61.7	134.2	-177.2	24.6	-33.7	0	0	0	111
426	S	50.2	Low	56.8	Low	80 Å²	80	93.2 Å²	93.2	56%	0.559	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-63.1	140.9	170.4	-64.4	0	0	0	0	110	P424 L428	P424-S426 PolarHBondContact O-N 3.1Å; S426-L428 PolarHBondContact O-N 3.39Å
427	P	42.5	Very low	54.3	Low	131 Å²	131	100 Å²	100	85%	0.851	58%	0.581	S	S	*	*			trans	-57.2	115.1	174.2	-24.9	34.7	0	0	0	110.9
428	L	38.3	Very low	51.6	Low	160 Å²	160	109.8 Å²	109.8	84%	0.838	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-73.5	135.9	175	-75.1	166	0	0	0	109.8	S426	S426-L428 PolarHBondContact O-N 3.39Å
429	P	38.5	Very low	48.9	Very low	120 Å²	120	115.3 Å²	115.3	78%	0.779	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-57.2	139.4	165.1	-21.2	32.9	0	0	0	110.4
430	S	30.7	Very low	46	Very low	113 Å²	113	119.4 Å²	119.4	79%	0.79	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-65.2	145.6	-174.3	-51	0	0	0	0	112.5
431	P	47.3	Very low	43.5	Very low	125 Å²	125	123 Å²	123	81%	0.812	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-76.9	146	-173.1	31.3	-35.8	0	0	0	112.6
432	T	33.6	Very low	40.9	Very low	145 Å²	145	126.1 Å²	126.1	89%	0.89	71%	0.709	S	S	*	*			trans	-143	145.7	160	-62	0	0	0	0	108.9
433	S	32.2	Very low	38.3	Very low	112 Å²	112	131.7 Å²	131.7	78%	0.783	74%	0.74	S	S	*	*			trans	-53.8	160	-158.8	-74.9	0	0	0	0	118.5
434	P	50.8	Low	36.4	Very low	118 Å²	118	139.2 Å²	139.2	77%	0.766	76%	0.759	S	S	*	*			trans	-93.2	169.5	-168.1	38.8	-38.1	0	0	0	114.2
435	D	28.8	Very low	35	Very low	152 Å²	152	145.8 Å²	145.8	81%	0.813	78%	0.778	S	S	*	*			trans	-145.7	156.5	146.4	-147.3	-25	0	0	0	111.9
436	Y	31.9	Very low	33.7	Very low	204 Å²	204	146.5 Å²	146.5	80%	0.8	78%	0.78	S	S	*	*			trans	-108.1	113.9	-165.8	-112.8	-94.9	0	0	0	112.5
437	R	28	Very low	33	Very low	223 Å²	223	150 Å²	150	84%	0.842	79%	0.792	S	S	*	*			trans	-160.9	93.9	147.4	-127	149.6	-67.7	-178.1	4	117.6
438	R	28.3	Very low	32.5	Very low	208 Å²	208	149.4 Å²	149.4	79%	0.785	79%	0.788	S	S	*	*				20.1	139.9	125.2	-157.6	-167.2	-67.6	177.8	-1.6	119.6
439	H	27.4	Very low	32	Very low	163 Å²	163	147.1 Å²	147.1	76%	0.755	79%	0.786	S	S	*	*			trans	82.1	153.6	171.8	-59.6	-80.3	0	0	0	116.2
440	S	26.6	Very low	31.8	Very low	89 Å²	89	147.2 Å²	147.2	62%	0.622	79%	0.786	S	S	*	*			cis	-178.8	134.9	-31.2	179.7	0	0	0	0	108.3
441	S	31.2	Very low	32	Very low	95 Å²	95	147.9 Å²	147.9	66%	0.664	79%	0.788	S	S	*	*			trans	59	141.4	160	40.1	0	0	0	0	118.9
442	D	28.7	Very low	31.2	Very low	157 Å²	157	149.3 Å²	149.3	84%	0.84	79%	0.789	S	S	*	*			trans	57.1	109.1	164.2	-52.6	-20.1	0	0	0	118.8
443	D	25.8	Very low	30.9	Very low	157 Å²	157	145.5 Å²	145.5	84%	0.84	78%	0.778	S	S	*	*				-158.3	176.8	101.8	-139.9	-29.3	0	0	0	112.4
444	Y	28.2	Very low	30.9	Very low	190 Å²	190	147.1 Å²	147.1	75%	0.745	78%	0.783	S	S	*	*			trans	-92.4	160.3	-167.4	-90.4	-92	0	0	0	116.8
445	Y	32.6	Very low	30	Very low	199 Å²	199	149.1 Å²	149.1	78%	0.78	78%	0.782	S	S	*	*			trans	41.3	105.9	152.2	-75	-63.3	0	0	0	121
446	V	25.7	Very low	30.4	Very low	136 Å²	136	145.3 Å²	145.3	82%	0.824	77%	0.767	S	S	*	*			trans	-141.8	133.8	134.9	-179.7	0	0	0	0	109.8
447	N	35.6	Very low	31.2	Very low	153 Å²	153	143.3 Å²	143.3	82%	0.818	77%	0.771	S	S	*	*			trans	-92.4	130.7	166	-88.4	-9.1	0	0	0	110.3
448	P	31.2	Very low	33.1	Very low	118 Å²	118	139 Å²	139	77%	0.766	75%	0.754	S	S	*	*			trans	-106.2	123.4	158	5.4	15.7	0	0	0	110.9
449	S	28.7	Very low	35.5	Very low	113 Å²	113	134.1 Å²	134.1	79%	0.79	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-69.3	145	170.3	-55.5	0	0	0	0	111.3
450	P	34	Very low	38.3	Very low	121 Å²	121	129.1 Å²	129.1	79%	0.786	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-68.1	147.4	170.8	-16.6	30.9	0	0	0	112
451	P	35.1	Very low	41.2	Very low	128 Å²	128	124.9 Å²	124.9	83%	0.831	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-77.6	144.6	176.8	31.3	-34.5	0	0	0	113
452	N	30.5	Very low	43.9	Very low	154 Å²	154	124 Å²	124	82%	0.824	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-70.2	159.8	165.9	-74.4	-30.6	0	0	0	111.1
453	G	28.2	Very low	46.7	Very low	65 Å²	65	116.5 Å²	116.5	67%	0.67	63%	0.628	S	S	*	*			trans	175.7	2.1	172.3	0	0	0	0	0	122.7
454	V	30.9	Very low	48.5	Very low	147 Å²	147	114.4 Å²	114.4	89%	0.891	61%	0.609	S	S	*	*			trans	-137.2	99.4	166.6	-173.2	0	0	0	0	110.4	S456	V454-S456 PolarHBondContact O-N 3.43Å
455	H	32.3	Very low	50.2	Low	159 Å²	159	111.7 Å²	111.7	74%	0.736	60%	0.598	S	S	*	*			trans	-84.3	105.4	177	-65.7	-109.3	0	0	0	109.8
456	S	37.8	Very low	51.9	Low	72 Å²	72	107.2 Å²	107.2	50%	0.503	59%	0.587	S	S	.	*			trans	-66.8	134.4	152.2	55.3	0	0	0	0	108	V454 R458	V454-S456 PolarHBondContact O-N 3.43Å; S456-R458 PolarHBondContact O-N 3.45Å; S456-R458 PolarHBondContact OG-NE 3.24Å
457	N	48.4	Very low	54.3	Low	163 Å²	163	102.2 Å²	102.2	87%	0.872	56%	0.555	S	S	*	*			trans	-78.2	77.7	-177.8	-164.8	-10.2	0	0	0	109.8	K459	N457-K459 PolarHBondContact O-N 3.17Å
458	R	67.1	Low	56.5	Low	131 Å²	131	100 Å²	100	49%	0.494	55%	0.546	S	S	.	.			trans	-69.8	111.5	-170.7	-66.8	175.8	-167	-140.9	18.1	110.6	S456 Y460 E484	S456-R458 PolarHBondContact O-N 3.45Å; S456-R458 PolarHBondContact OG-NE 3.24Å; R458-Y460 HydrophobicContact CB-CD2 4.42Å; R458-Y460 HydrophobicContact CB-CE2 3.6Å; R458-Y460 WeakPolarHBondContact CD-OH 3.42Å; R458-Y460 VanDerWaalsContact O-CD2 3.28Å; R458-Y460 WeakPolarHBondContact O-CD2 3.46Å; R458-Y460 WeakPolarHBondContact O-CE2 3.27Å; R458-E484 VanDerWaalsContact CD-OE1 3.28Å; R458-E484 WeakPolarHBondContact CD-OE1 3.14Å; R458-E484 IonicContact CZ-OE1 2.8Å; R458-E484 IonicContact NE-OE1 2.72Å; R458-E484 IonicContact NH1-OE1 2.71Å; R458-E484 PolarHBondContact NH1-OE1 2.97Å; R458-E484 IonicContact NH1-OE2 3.22Å
459	K	80.4	Confident	58.6	Low	106 Å²	106	95.8 Å²	95.8	46%	0.461	52%	0.522	S	S	.	.			trans	-72.5	138.5	166.3	-64.2	176	-174.4	171.1	0	109.1	N457 V485 D488	N457-K459 PolarHBondContact O-N 3.17Å; K459-V485 HydrophobicContact CB-CB 3.95Å; K459-V485 HydrophobicContact CB-CG2 4.26Å; K459-V485 PolarHBondContact O-N 2.96Å; K459-D488 IonicContact NZ-OD1 3.36Å; K459-D488 IonicContact NZ-OD2 2.82Å; K459-D488 PolarHBondContact NZ-OD2 2.85Å
460	Y	85.6	Confident	60.3	Low	59 Å²	59	100.7 Å²	100.7	23%	0.231	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	152.4	172.5	-68.2	-86.8	0	0	0	110.6	R458 V482 L483 E484 V513 L515	R458-Y460 HydrophobicContact CB-CD2 4.42Å; R458-Y460 HydrophobicContact CB-CE2 3.6Å; R458-Y460 WeakPolarHBondContact CD-OH 3.42Å; R458-Y460 VanDerWaalsContact O-CD2 3.28Å; R458-Y460 WeakPolarHBondContact O-CD2 3.46Å; R458-Y460 WeakPolarHBondContact O-CE2 3.27Å; Y460-V482 HydrophobicContact CD1-CG1 4.1Å; Y460-V482 HydrophobicContact CG-CG1 4.27Å; Y460-L483 CarbonylContact C-O 3.57Å; Y460-L483 VanDerWaalsContact CA-O 3.28Å; Y460-L483 WeakPolarHBondContact CA-O 3.23Å; Y460-E484 HydrophobicContact CD1-CB 4.29Å; Y460-E484 HydrophobicContact CE1-CB 4Å; Y460-E484 HydrophobicContact CE1-CG 4.31Å; Y460-V513 PolarHBondContact N-O 3.01Å; Y460-V513 PolarHBondContact O-N 3.25Å; Y460-V513 VanDerWaalsContact O-O 3.12Å; Y460-L515 HydrophobicContact CD2-CD1 3.84Å; Y460-L515 HydrophobicContact CD2-CG 4.42Å; Y460-L515 HydrophobicContact CE2-CD1 3.81Å
461	A	86.6	Confident	61.9	Low	0 Å²	0	98 Å²	98	0%	0	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.1	173.8	0	0	0	0	0	109.7	V482 L483 V485 L495 L510 D511	A461-V482 WeakPolarHBondContact O-CA 3.38Å; A461-L483 PolarHBondContact N-O 2.83Å; A461-L483 PolarHBondContact O-N 3.01Å; A461-V485 HydrophobicContact CB-CG2 3.54Å; A461-L495 HydrophobicContact CB-CD1 4.44Å; A461-L495 HydrophobicContact CB-CD2 4.17Å; A461-L510 HydrophobicContact CB-CB 4.36Å; A461-L510 HydrophobicContact CB-CD1 4.34Å; A461-L510 HydrophobicContact CB-CD2 4.4Å; A461-D511 CarbonylContact C-O 3.6Å; A461-D511 WeakPolarHBondContact CA-O 3.18Å
462	K	88.4	Confident	63.7	Low	75 Å²	75	98.2 Å²	98.2	33%	0.326	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.2	174.3	-175	-179.3	176.5	-167.3	0	109.5	D480 E481 V482 L510 D511 V513	K462-D480 WeakPolarHBondContact CE-OD1 3.3Å; K462-D480 IonicContact NZ-OD1 3.88Å; K462-D480 PolarHBondContact NZ-OD1 3.11Å; K462-E481 CarbonylContact C-O 3.59Å; K462-E481 WeakPolarHBondContact CA-O 3.32Å; K462-V482 HydrophobicContact CB-CG2 4.16Å; K462-V482 HydrophobicContact CG-CG2 4.08Å; K462-L510 CarbonylContact O-C 3.5Å; K462-L510 VanDerWaalsContact O-CA 3.31Å; K462-L510 WeakPolarHBondContact O-CA 3.43Å; K462-D511 PolarHBondContact N-O 2.88Å; K462-D511 PolarHBondContact O-N 3.28Å; K462-V513 HydrophobicContact CB-CG2 3.66Å
463	I	88.8	Confident	66	Low	1 Å²	1	96.1 Å²	96.1	1%	0.005	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	132.8	-179	-61.4	-53.8	0	0	0	111.1	Y465 V477 L478 D480 E481 L483 L495 V505 L510	I463-Y465 WeakPolarHBondContact CG2-O 3.49Å; I463-V477 HydrophobicContact CD1-CG2 4.15Å; I463-V477 HydrophobicContact CG1-CB 4.05Å; I463-V477 HydrophobicContact CG1-CG2 3.98Å; I463-V477 HydrophobicContact CG2-CG2 3.94Å; I463-L478 WeakPolarHBondContact CB-O 3.47Å; I463-L478 WeakPolarHBondContact CG2-O 3.49Å; I463-D480 WeakPolarHBondContact O-CA 3.18Å; I463-D480 PolarHBondContact O-N 3.44Å; I463-E481 PolarHBondContact N-O 3.28Å; I463-L483 HydrophobicContact CD1-CD1 3.84Å; I463-L483 HydrophobicContact CG1-CD1 3.59Å; I463-L483 HydrophobicContact CG1-CG 4.39Å; I463-L495 HydrophobicContact CD1-CD1 3.87Å; I463-V505 HydrophobicContact CD1-CG1 4.05Å; I463-L510 HydrophobicContact CD1-CB 3.85Å
464	R	61.7	Low	68.7	Low	113 Å²	113	94.6 Å²	94.6	43%	0.426	47%	0.467	S	S	.	.	S	Bend	trans	-86.5	-29.1	178.4	-71.1	-175.4	169.3	-172.7	-0.7	113.8	Q479 I509 D511	R464-Q479 VanDerWaalsContact O-CG 3.3Å; R464-Q479 WeakPolarHBondContact O-CG 3.39Å; R464-Q479 PolarHBondContact O-OE1 3.08Å; R464-I509 PolarHBondContact N-O 2.9Å; R464-D511 IonicContact CZ-OD1 3.22Å; R464-D511 IonicContact CZ-OD2 2.66Å; R464-D511 IonicContact NE-OD1 3.73Å; R464-D511 PolarHBondContact NE-OD1 3.23Å; R464-D511 IonicContact NE-OD2 2.62Å; R464-D511 PolarHBondContact NE-OD2 3.46Å; R464-D511 VanDerWaalsContact NH2-CG 3.31Å; R464-D511 IonicContact NH2-OD1 2.77Å; R464-D511 PolarHBondContact NH2-OD1 3.45Å; R464-D511 IonicContact NH2-OD2 2.77Å; R464-D511 PolarHBondContact NH2-OD2 2.79Å
465	Y	65.6	Low	71.3	Confident	132 Å²	132	88.2 Å²	88.2	52%	0.518	43%	0.428	S	S	.	.	S	Bend	trans	-145.9	145.1	-172.6	-55.5	-69	0	0	0	111.3	I463 F467 I509	I463-Y465 WeakPolarHBondContact CG2-O 3.49Å; Y465-F467 PolarHBondContact O-N 3.15Å; Y465-I509 HydrophobicContact CD2-CB 4.12Å; Y465-I509 HydrophobicContact CD2-CG2 3.96Å
466	N	68.6	Low	73.8	Confident	105 Å²	105	83.7 Å²	83.7	56%	0.561	42%	0.415	S	S	*	.			trans	-57.5	133	173.4	-64.1	-33.6	0	0	0	111.1	L478 Q479	N466-L478 WeakPolarHBondContact OD1-CA 3.28Å; N466-Q479 PolarHBondContact OD1-N 3.12Å
467	F	75	Confident	76	Confident	31 Å²	31	80.4 Å²	80.4	14%	0.136	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-136.5	134.3	175.6	173.4	-97.1	0	0	0	110.2	Y465 E474 L475 S476 V477 W492 P506 I509	Y465-F467 PolarHBondContact O-N 3.15Å; F467-E474 HydrophobicContact CE1-CB 4.19Å; F467-E474 HydrophobicContact CZ-CB 4.48Å; F467-E474 HydrophobicContact CZ-CG 4.41Å; F467-L475 WeakPolarHBondContact CD1-O 3.19Å; F467-S476 CarbonylContact O-C 3.57Å; F467-S476 WeakPolarHBondContact O-CA 3.48Å; F467-V477 HydrophobicContact CB-CG2 3.93Å; F467-V477 HydrophobicContact CD1-CG2 4.4Å; F467-V477 PolarHBondContact N-O 2.93Å; F467-V477 PolarHBondContact O-N 3.27Å; F467-V477 VanDerWaalsContact O-O 3.11Å; F467-W492 HydrophobicContact CE1-CZ3 4.25Å; F467-W492 HydrophobicContact CE2-CH2 4.35Å; F467-W492 HydrophobicContact CE2-CZ3 4.46Å; F467-W492 AromaticContact CZ-CH2 3.86Å; F467-W492 HydrophobicContact CZ-CH2 3.86Å; F467-W492 AromaticContact CZ-CZ3 3.68Å; F467-W492 HydrophobicContact CZ-CZ3 3.68Å; F467-P506 HydrophobicContact CD2-CG 4.3Å; F467-P506 HydrophobicContact CE2-CG 3.94Å; F467-P506 HydrophobicContact CZ-CG 4.23Å; F467-I509 HydrophobicContact CB-CD1 3.34Å; F467-I509 HydrophobicContact CD2-CD1 4.17Å; F467-I509 HydrophobicContact CG-CD1 3.8Å
468	V	81.8	Confident	77.3	Confident	106 Å²	106	77.5 Å²	77.5	64%	0.642	38%	0.376	S	S	*	.			trans	-115.5	121.1	-176.4	-178.4	0	0	0	0	108.3	R470	V468-R470 PolarHBondContact O-N 2.92Å
469	A	76.4	Confident	77.9	Confident	31 Å²	31	75.9 Å²	75.9	26%	0.256	37%	0.374	S	S	.	.			trans	-58.9	131.9	178	0	0	0	0	0	111.5	E474 S476	A469-E474 HydrophobicContact CB-CB 3.59Å; A469-E474 VanDerWaalsContact CB-O 3.24Å; A469-E474 WeakPolarHBondContact CB-O 3.41Å; A469-S476 WeakPolarHBondContact CB-OG 3.46Å; A469-S476 PolarHBondContact N-OG 3.2Å
470	R	62.8	Low	77.8	Confident	216 Å²	216	75.2 Å²	75.2	82%	0.815	38%	0.375	S	S	*	.	S	Bend	trans	-100.5	-10.6	179.9	-58.1	178	-178.6	-178.5	-0.6	112.8	V468 E474	V468-R470 PolarHBondContact O-N 2.92Å; R470-E474 PolarHBondContact N-OE2 2.85Å
471	N	69.1	Low	77.8	Confident	65 Å²	65	73.9 Å²	73.9	35%	0.348	37%	0.371	S	S	.	.	S	Bend	trans	-153.4	165.2	178.6	62.6	76.7	0	0	0	110	N473 E474	N471-N473 PolarHBondContact O-N 2.79Å; N471-N473 WeakPolarHBondContact OD1-CB 3.3Å; N471-N473 PolarHBondContact OD1-N 3.23Å; N471-N473 VanDerWaalsContact OD1-N 3.11Å; N471-E474 PolarHBondContact ND2-OE1 3.29Å; N471-E474 PolarHBondContact O-N 3Å
472	P	71.6	Confident	77.8	Confident	131 Å²	131	77.5 Å²	77.5	85%	0.851	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.2	-173.8	-24.7	35.9	0	0	0	116.6
473	N	79.4	Confident	77.8	Confident	111 Å²	111	74 Å²	74	59%	0.594	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-16.1	179.2	-62.1	-34.8	0	0	0	112.7	N471 G503 Y504	N471-N473 PolarHBondContact O-N 2.79Å; N471-N473 WeakPolarHBondContact OD1-CB 3.3Å; N471-N473 PolarHBondContact OD1-N 3.23Å; N471-N473 VanDerWaalsContact OD1-N 3.11Å; N473-G503 CarbonylContact O-C 3.54Å; N473-G503 WeakPolarHBondContact O-CA 3.33Å; N473-Y504 HydrophobicContact CB-CD2 4.36Å; N473-Y504 WeakPolarHBondContact O-CD2 3.43Å; N473-Y504 PolarHBondContact O-N 3.03Å
474	E	84.1	Confident	77.8	Confident	32 Å²	32	75.3 Å²	75.3	15%	0.15	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-88.1	147.7	178.5	-69.8	173.8	-167.2	0	0	110.8	F467 A469 R470 N471 W492 Y504	F467-E474 HydrophobicContact CE1-CB 4.19Å; F467-E474 HydrophobicContact CZ-CB 4.48Å; F467-E474 HydrophobicContact CZ-CG 4.41Å; A469-E474 HydrophobicContact CB-CB 3.59Å; A469-E474 VanDerWaalsContact CB-O 3.24Å; A469-E474 WeakPolarHBondContact CB-O 3.41Å; R470-E474 PolarHBondContact N-OE2 2.85Å; N471-E474 PolarHBondContact ND2-OE1 3.29Å; N471-E474 PolarHBondContact O-N 3Å; E474-W492 HydrophobicContact CG-CH2 4.27Å; E474-W492 HydrophobicContact CG-CZ3 3.8Å; E474-Y504 WeakPolarHBondContact CA-O 3.36Å
475	L	85.5	Confident	79.2	Confident	13 Å²	13	70.8 Å²	70.8	7%	0.068	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-101.9	120.9	175	-171.4	67	0	0	0	110.2	F467 V477 L483 L495 N497 Q501 Y504 V505	F467-L475 WeakPolarHBondContact CD1-O 3.19Å; L475-V477 HydrophobicContact CB-CG1 4.24Å; L475-V477 HydrophobicContact CD2-CG1 3.75Å; L475-V477 HydrophobicContact CG-CG1 3.73Å; L475-V477 PolarHBondContact O-N 3.49Å; L475-L483 HydrophobicContact CD2-CD1 4.46Å; L475-L495 HydrophobicContact CD2-CB 4.28Å; L475-N497 HydrophobicContact CD2-CB 4.45Å; L475-Q501 HydrophobicContact CD1-CB 4.15Å; L475-Y504 PolarHBondContact N-O 2.97Å; L475-V505 HydrophobicContact CB-CG2 3.87Å; L475-V505 HydrophobicContact CD2-CG2 4.48Å
476	S	85.1	Confident	80.1	Confident	65 Å²	65	67.9 Å²	67.9	46%	0.455	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-68.5	126.8	167	-67.6	0	0	0	0	109.5	F467 A469	F467-S476 CarbonylContact O-C 3.57Å; F467-S476 WeakPolarHBondContact O-CA 3.48Å; A469-S476 WeakPolarHBondContact CB-OG 3.46Å; A469-S476 PolarHBondContact N-OG 3.2Å
477	V	83.5	Confident	80.9	Confident	3 Å²	3	65.2 Å²	65.2	2%	0.018	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-140.6	145.1	-174.2	-63.2	0	0	0	0	110.8	I463 F467 L475 L483 V505	I463-V477 HydrophobicContact CD1-CG2 4.15Å; I463-V477 HydrophobicContact CG1-CB 4.05Å; I463-V477 HydrophobicContact CG1-CG2 3.98Å; I463-V477 HydrophobicContact CG2-CG2 3.94Å; F467-V477 HydrophobicContact CB-CG2 3.93Å; F467-V477 HydrophobicContact CD1-CG2 4.4Å; F467-V477 PolarHBondContact N-O 2.93Å; F467-V477 PolarHBondContact O-N 3.27Å; F467-V477 VanDerWaalsContact O-O 3.11Å; L475-V477 HydrophobicContact CB-CG1 4.24Å; L475-V477 HydrophobicContact CD2-CG1 3.75Å; L475-V477 HydrophobicContact CG-CG1 3.73Å; L475-V477 PolarHBondContact O-N 3.49Å; V477-L483 HydrophobicContact CB-CD1 4.16Å; V477-L483 HydrophobicContact CG1-CD1 3.47Å; V477-L483 VanDerWaalsContact CG1-CD1 3.47Å; V477-V505 HydrophobicContact CG1-CG2 3.99Å; V477-V505 HydrophobicContact CG2-CG1 4.04Å; V477-V505 HydrophobicContact CG2-CG2 4.32Å
478	L	77.1	Confident	81.2	Confident	102 Å²	102	66.5 Å²	66.5	53%	0.534	35%	0.354	S	S	.	.			trans	-99.6	153.2	176.6	-61	174.5	0	0	0	111.4	I463 N466 E481	I463-L478 WeakPolarHBondContact CB-O 3.47Å; I463-L478 WeakPolarHBondContact CG2-O 3.49Å; N466-L478 WeakPolarHBondContact OD1-CA 3.28Å; L478-E481 HydrophobicContact CB-CG 3.96Å; L478-E481 PolarHBondContact N-OE2 2.9Å; L478-E481 WeakPolarHBondContact O-CB 3.46Å; L478-E481 PolarHBondContact O-N 3.46Å
479	Q	78.7	Confident	80.7	Confident	97 Å²	97	67.5 Å²	67.5	45%	0.453	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	144.3	170.4	175.4	170.4	-16.6	0	0	110.8	R464 N466 E481	R464-Q479 VanDerWaalsContact O-CG 3.3Å; R464-Q479 WeakPolarHBondContact O-CG 3.39Å; R464-Q479 PolarHBondContact O-OE1 3.08Å; N466-Q479 PolarHBondContact OD1-N 3.12Å; Q479-E481 PolarHBondContact O-N 3.02Å
480	D	78.1	Confident	80.5	Confident	91 Å²	91	70.6 Å²	70.6	49%	0.487	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	-1.6	-173.9	-64.4	-71.4	0	0	0	116.3	K462 I463 V482	K462-D480 WeakPolarHBondContact CE-OD1 3.3Å; K462-D480 IonicContact NZ-OD1 3.88Å; K462-D480 PolarHBondContact NZ-OD1 3.11Å; I463-D480 WeakPolarHBondContact O-CA 3.18Å; I463-D480 PolarHBondContact O-N 3.44Å; D480-V482 PolarHBondContact O-N 3.25Å
481	E	85.2	Confident	81.2	Confident	31 Å²	31	66.5 Å²	66.5	15%	0.145	35%	0.354	C	S	.	.			trans	-67.3	133.5	172.9	-69.7	-163.6	118.7	0	0	112.3	K462 I463 L478 Q479 R498	K462-E481 CarbonylContact C-O 3.59Å; K462-E481 WeakPolarHBondContact CA-O 3.32Å; I463-E481 PolarHBondContact N-O 3.28Å; L478-E481 HydrophobicContact CB-CG 3.96Å; L478-E481 PolarHBondContact N-OE2 2.9Å; L478-E481 WeakPolarHBondContact O-CB 3.46Å; L478-E481 PolarHBondContact O-N 3.46Å; Q479-E481 PolarHBondContact O-N 3.02Å; E481-R498 IonicContact OE1-CZ 3.79Å; E481-R498 IonicContact OE1-NH1 3.77Å; E481-R498 PolarHBondContact OE1-NH1 3.41Å; E481-R498 IonicContact OE1-NH2 3.63Å; E481-R498 PolarHBondContact OE1-NH2 2.93Å
482	V	87	Confident	82	Confident	77 Å²	77	68.1 Å²	68.1	47%	0.467	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.9	173.2	-176.3	0	0	0	0	109.2	Y460 A461 K462 D480	Y460-V482 HydrophobicContact CD1-CG1 4.1Å; Y460-V482 HydrophobicContact CG-CG1 4.27Å; A461-V482 WeakPolarHBondContact O-CA 3.38Å; K462-V482 HydrophobicContact CB-CG2 4.16Å; K462-V482 HydrophobicContact CG-CG2 4.08Å; D480-V482 PolarHBondContact O-N 3.25Å
483	L	87.9	Confident	82.8	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.5	-171.9	-56.6	170.1	0	0	0	110	Y460 A461 I463 L475 V477 L495 N497	Y460-L483 CarbonylContact C-O 3.57Å; Y460-L483 VanDerWaalsContact CA-O 3.28Å; Y460-L483 WeakPolarHBondContact CA-O 3.23Å; A461-L483 PolarHBondContact N-O 2.83Å; A461-L483 PolarHBondContact O-N 3.01Å; I463-L483 HydrophobicContact CD1-CD1 3.84Å; I463-L483 HydrophobicContact CG1-CD1 3.59Å; I463-L483 HydrophobicContact CG1-CG 4.39Å; L475-L483 HydrophobicContact CD2-CD1 4.46Å; V477-L483 HydrophobicContact CB-CD1 4.16Å; V477-L483 HydrophobicContact CG1-CD1 3.47Å; V477-L483 VanDerWaalsContact CG1-CD1 3.47Å; L483-L495 HydrophobicContact CB-CB 4.04Å; L483-L495 HydrophobicContact CB-CD1 4.2Å; L483-L495 HydrophobicContact CD1-CB 4.1Å; L483-L495 HydrophobicContact CD1-CD1 3.62Å; L483-N497 HydrophobicContact CD2-CB 3.58Å
484	E	90.5	Very high	83.3	Confident	27 Å²	27	61 Å²	61	13%	0.126	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.7	176.9	-173	179.2	-158.3	0	0	109.7	R458 Y460 L486 L495 R496	R458-E484 VanDerWaalsContact CD-OE1 3.28Å; R458-E484 WeakPolarHBondContact CD-OE1 3.14Å; R458-E484 IonicContact CZ-OE1 2.8Å; R458-E484 IonicContact NE-OE1 2.72Å; R458-E484 IonicContact NH1-OE1 2.71Å; R458-E484 PolarHBondContact NH1-OE1 2.97Å; R458-E484 IonicContact NH1-OE2 3.22Å; Y460-E484 HydrophobicContact CD1-CB 4.29Å; Y460-E484 HydrophobicContact CE1-CB 4Å; Y460-E484 HydrophobicContact CE1-CG 4.31Å; E484-L486 HydrophobicContact CG-CD2 4.46Å; E484-L495 CarbonylContact O-C 3.54Å; E484-L495 WeakPolarHBondContact O-CA 3.2Å; E484-R496 HydrophobicContact CB-CB 4.37Å; E484-R496 PolarHBondContact N-O 3.4Å; E484-R496 PolarHBondContact O-N 3.44Å; E484-R496 IonicContact OE1-NH2 2.77Å; E484-R496 PolarHBondContact OE1-NH2 3.48Å; E484-R496 IonicContact OE2-CZ 2.7Å; E484-R496 IonicContact OE2-NE 3.82Å; E484-R496 PolarHBondContact OE2-NE 2.92Å; E484-R496 IonicContact OE2-NH2 2.93Å; E484-R496 PolarHBondContact OE2-NH2 2.93Å
485	V	89.7	Confident	83.6	Confident	18 Å²	18	59.5 Å²	59.5	11%	0.109	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	117.9	-177.7	-179.4	0	0	0	0	109.5	K459 A461 D488 W493 L495	K459-V485 HydrophobicContact CB-CB 3.95Å; K459-V485 HydrophobicContact CB-CG2 4.26Å; K459-V485 PolarHBondContact O-N 2.96Å; A461-V485 HydrophobicContact CB-CG2 3.54Å; V485-D488 HydrophobicContact CG1-CB 3.84Å; V485-W493 HydrophobicContact CG1-CE3 3.83Å; V485-W493 HydrophobicContact CG1-CZ3 4.01Å; V485-W493 HydrophobicContact CG2-CE3 4.22Å; V485-W493 HydrophobicContact CG2-CZ3 4.19Å; V485-L495 HydrophobicContact CB-CD2 4.24Å; V485-L495 HydrophobicContact CG1-CD2 4.35Å; V485-L495 HydrophobicContact CG2-CD2 3.84Å
486	L	85.9	Confident	83.8	Confident	72 Å²	72	63.1 Å²	63.1	38%	0.377	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-39.2	177.2	-54.8	-175	0	0	0	112.5	E484 K494 R496	E484-L486 HydrophobicContact CG-CD2 4.46Å; L486-K494 WeakPolarHBondContact CA-O 3.41Å; L486-K494 HydrophobicContact CB-CB 4.43Å; L486-K494 HydrophobicContact CB-CG 4.46Å; L486-K494 WeakPolarHBondContact CB-O 3.44Å; L486-K494 PolarHBondContact N-O 3.49Å; L486-R496 HydrophobicContact CD1-CB 3.96Å; L486-R496 HydrophobicContact CD2-CB 4.3Å; L486-R496 HydrophobicContact CG-CB 4.1Å
487	E	84.6	Confident	83.8	Confident	49 Å²	49	61.1 Å²	61.1	23%	0.229	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	122.7	176.4	-58.4	176.7	-139.9	0	0	110	K490 W493 K494	E487-K490 IonicContact OE2-NZ 2.99Å; E487-K490 PolarHBondContact OE2-NZ 3.36Å; E487-W493 CarbonylContact O-C 3.58Å; E487-W493 VanDerWaalsContact O-CA 3.28Å; E487-W493 WeakPolarHBondContact O-CA 3.26Å; E487-K494 HydrophobicContact CB-CB 3.78Å; E487-K494 HydrophobicContact CG-CB 4.03Å; E487-K494 HydrophobicContact CG-CD 4.05Å; E487-K494 PolarHBondContact N-O 3.02Å; E487-K494 PolarHBondContact O-N 2.87Å; E487-K494 WeakPolarHBondContact OE1-CD 3.4Å; E487-K494 IonicContact OE1-NZ 3.14Å; E487-K494 PolarHBondContact OE1-NZ 3.22Å
488	D	81.6	Confident	83.4	Confident	57 Å²	57	70.8 Å²	70.8	31%	0.305	33%	0.331	S	S	.	.			trans	-117.6	-0.5	-177.4	56.8	-5.7	0	0	0	114.9	K459 V485 K490 W493	K459-D488 IonicContact NZ-OD1 3.36Å; K459-D488 IonicContact NZ-OD2 2.82Å; K459-D488 PolarHBondContact NZ-OD2 2.85Å; V485-D488 HydrophobicContact CG1-CB 3.84Å; D488-K490 VanDerWaalsContact C-N 3.29Å; D488-K490 PolarHBondContact O-N 3.26Å; D488-W493 HydrophobicContact CB-CD2 3.84Å; D488-W493 HydrophobicContact CB-CE3 3.84Å; D488-W493 HydrophobicContact CB-CH2 3.65Å; D488-W493 HydrophobicContact CB-CZ2 3.66Å; D488-W493 HydrophobicContact CB-CZ3 3.74Å; D488-W493 PolarHBondContact O-NE1 2.79Å; D488-W493 VanDerWaalsContact O-NE1 3.15Å
489	N	69.9	Low	83.3	Confident	127 Å²	127	69.8 Å²	69.8	68%	0.679	33%	0.332	S	S	*	.	S	Bend	trans	-85.3	17.4	-171.2	65.2	1.9	0	0	0	115.5
490	K	73.4	Confident	83.3	Confident	97 Å²	97	67.5 Å²	67.5	42%	0.422	34%	0.335	S	S	.	.	S	Bend	trans	-140.3	168.8	-170.6	-70.5	158	-166.8	168.5	0	111.6	E487 D488 W492 W493	E487-K490 IonicContact OE2-NZ 2.99Å; E487-K490 PolarHBondContact OE2-NZ 3.36Å; D488-K490 VanDerWaalsContact C-N 3.29Å; D488-K490 PolarHBondContact O-N 3.26Å; K490-W492 WeakPolarHBondContact CB-O 3.44Å; K490-W492 PolarHBondContact O-N 3.33Å; K490-W493 PolarHBondContact O-NE1 3.07Å; K490-W493 VanDerWaalsContact O-NE1 3.17Å
491	Q	77.5	Confident	83.2	Confident	129 Å²	129	68.7 Å²	68.7	60%	0.603	34%	0.337	S	S	*	.	S	Bend	trans	-67.9	-16.8	171.3	-68.2	-70.7	-74.8	0	0	113.5	Y507	Q491-Y507 HydrophobicContact CB-CD1 4.47Å; Q491-Y507 WeakPolarHBondContact O-CD1 3.23Å; Q491-Y507 PolarHBondContact O-N 3.35Å
492	W	86.1	Confident	83.4	Confident	100 Å²	100	70.2 Å²	70.2	38%	0.379	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.3	171.6	-73.8	72.5	0	0	0	108	F467 E474 K490 Y504 V505 P506	F467-W492 HydrophobicContact CE1-CZ3 4.25Å; F467-W492 HydrophobicContact CE2-CH2 4.35Å; F467-W492 HydrophobicContact CE2-CZ3 4.46Å; F467-W492 AromaticContact CZ-CH2 3.86Å; F467-W492 HydrophobicContact CZ-CH2 3.86Å; F467-W492 AromaticContact CZ-CZ3 3.68Å; F467-W492 HydrophobicContact CZ-CZ3 3.68Å; E474-W492 HydrophobicContact CG-CH2 4.27Å; E474-W492 HydrophobicContact CG-CZ3 3.8Å; K490-W492 WeakPolarHBondContact CB-O 3.44Å; K490-W492 PolarHBondContact O-N 3.33Å; W492-Y504 HydrophobicContact CB-CD1 4.26Å; W492-V505 CarbonylContact C-O 3.51Å; W492-V505 WeakPolarHBondContact CA-O 3.45Å; W492-P506 HydrophobicContact CD2-CG 4.22Å; W492-P506 HydrophobicContact CE3-CG 3.89Å; W492-P506 HydrophobicContact CH2-CG 3.79Å; W492-P506 HydrophobicContact CZ2-CG 4.06Å; W492-P506 HydrophobicContact CZ3-CG 3.67Å
493	W	87.6	Confident	83.4	Confident	35 Å²	35	66.8 Å²	66.8	13%	0.133	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.4	-176.5	-74	26.2	0	0	0	109.4	V485 E487 D488 K490 L495 Y504 V505 L510 V512	V485-W493 HydrophobicContact CG1-CE3 3.83Å; V485-W493 HydrophobicContact CG1-CZ3 4.01Å; V485-W493 HydrophobicContact CG2-CE3 4.22Å; V485-W493 HydrophobicContact CG2-CZ3 4.19Å; E487-W493 CarbonylContact O-C 3.58Å; E487-W493 VanDerWaalsContact O-CA 3.28Å; E487-W493 WeakPolarHBondContact O-CA 3.26Å; D488-W493 HydrophobicContact CB-CD2 3.84Å; D488-W493 HydrophobicContact CB-CE3 3.84Å; D488-W493 HydrophobicContact CB-CH2 3.65Å; D488-W493 HydrophobicContact CB-CZ2 3.66Å; D488-W493 HydrophobicContact CB-CZ3 3.74Å; D488-W493 PolarHBondContact O-NE1 2.79Å; D488-W493 VanDerWaalsContact O-NE1 3.15Å; K490-W493 PolarHBondContact O-NE1 3.07Å; K490-W493 VanDerWaalsContact O-NE1 3.17Å; W493-L495 HydrophobicContact CB-CD2 4.06Å; W493-L495 HydrophobicContact CB-CG 4.4Å; W493-L495 HydrophobicContact CE3-CD2 4.44Å; W493-Y504 CarbonylContact O-C 3.54Å; W493-Y504 WeakPolarHBondContact O-CA 3.07Å; W493-V505 PolarHBondContact N-O 3.31Å; W493-V505 PolarHBondContact O-N 3.45Å; W493-L510 HydrophobicContact CB-CD2 3.96Å; W493-L510 HydrophobicContact CD2-CD1 4.1Å; W493-L510 HydrophobicContact CD2-CD2 4.05Å; W493-L510 HydrophobicContact CE3-CD1 3.78Å; W493-L510 HydrophobicContact CE3-CD2 3.96Å; W493-L510 HydrophobicContact CG-CD2 4.07Å; W493-L510 HydrophobicContact CH2-CD1 4.34Å; W493-L510 HydrophobicContact CZ3-CD1 3.92Å; W493-V512 HydrophobicContact CH2-CG2 3.46Å; W493-V512 VanDerWaalsContact CH2-CG2 3.46Å; W493-V512 HydrophobicContact CZ3-CG2 3.72Å
494	K	90.7	Very high	83.5	Confident	57 Å²	57	70.1 Å²	70.1	25%	0.248	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	112.2	175.3	-165.7	177.6	178.4	176.6	0	108.2	L486 E487 G503 Y504	L486-K494 WeakPolarHBondContact CA-O 3.41Å; L486-K494 HydrophobicContact CB-CB 4.43Å; L486-K494 HydrophobicContact CB-CG 4.46Å; L486-K494 WeakPolarHBondContact CB-O 3.44Å; L486-K494 PolarHBondContact N-O 3.49Å; E487-K494 HydrophobicContact CB-CB 3.78Å; E487-K494 HydrophobicContact CG-CB 4.03Å; E487-K494 HydrophobicContact CG-CD 4.05Å; E487-K494 PolarHBondContact N-O 3.02Å; E487-K494 PolarHBondContact O-N 2.87Å; E487-K494 WeakPolarHBondContact OE1-CD 3.4Å; E487-K494 IonicContact OE1-NZ 3.14Å; E487-K494 PolarHBondContact OE1-NZ 3.22Å; K494-G503 WeakPolarHBondContact CA-O 3.45Å; K494-Y504 HydrophobicContact CB-CD1 4Å; K494-Y504 HydrophobicContact CB-CE1 3.81Å; K494-Y504 HydrophobicContact CD-CE1 4.3Å; K494-Y504 HydrophobicContact CG-CD1 4.49Å; K494-Y504 HydrophobicContact CG-CE1 4.25Å
495	L	90.6	Very high	83.3	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	154	-177.1	-54.9	-174.9	0	0	0	109.9	A461 I463 L475 L483 E484 V485 W493 S502 G503 V505 L510	A461-L495 HydrophobicContact CB-CD1 4.44Å; A461-L495 HydrophobicContact CB-CD2 4.17Å; I463-L495 HydrophobicContact CD1-CD1 3.87Å; L475-L495 HydrophobicContact CD2-CB 4.28Å; L483-L495 HydrophobicContact CB-CB 4.04Å; L483-L495 HydrophobicContact CB-CD1 4.2Å; L483-L495 HydrophobicContact CD1-CB 4.1Å; L483-L495 HydrophobicContact CD1-CD1 3.62Å; E484-L495 CarbonylContact O-C 3.54Å; E484-L495 WeakPolarHBondContact O-CA 3.2Å; V485-L495 HydrophobicContact CB-CD2 4.24Å; V485-L495 HydrophobicContact CG1-CD2 4.35Å; V485-L495 HydrophobicContact CG2-CD2 3.84Å; W493-L495 HydrophobicContact CB-CD2 4.06Å; W493-L495 HydrophobicContact CB-CG 4.4Å; W493-L495 HydrophobicContact CE3-CD2 4.44Å; L495-S502 WeakPolarHBondContact O-CA 3.26Å; L495-S502 WeakPolarHBondContact O-CB 3.4Å; L495-G503 PolarHBondContact N-O 3.48Å; L495-G503 PolarHBondContact O-N 3.14Å; L495-G503 VanDerWaalsContact O-N 3.12Å; L495-V505 HydrophobicContact CB-CG2 4.42Å; L495-V505 HydrophobicContact CD1-CB 3.88Å; L495-V505 HydrophobicContact CD1-CG1 4.29Å; L495-V505 HydrophobicContact CD1-CG2 3.87Å; L495-V505 HydrophobicContact CG-CB 4.33Å; L495-V505 HydrophobicContact CG-CG2 4.22Å; L495-L510 HydrophobicContact CD1-CD2 3.89Å; L495-L510 HydrophobicContact CD2-CD2 4.48Å
496	R	89.4	Confident	82.9	Confident	89 Å²	89	68.6 Å²	68.6	34%	0.336	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.4	172	175.2	164.1	66.9	-167.7	1	110.6	E484 L486 Q501	E484-R496 HydrophobicContact CB-CB 4.37Å; E484-R496 PolarHBondContact N-O 3.4Å; E484-R496 PolarHBondContact O-N 3.44Å; E484-R496 IonicContact OE1-NH2 2.77Å; E484-R496 PolarHBondContact OE1-NH2 3.48Å; E484-R496 IonicContact OE2-CZ 2.7Å; E484-R496 IonicContact OE2-NE 3.82Å; E484-R496 PolarHBondContact OE2-NE 2.92Å; E484-R496 IonicContact OE2-NH2 2.93Å; E484-R496 PolarHBondContact OE2-NH2 2.93Å; L486-R496 HydrophobicContact CD1-CB 3.96Å; L486-R496 HydrophobicContact CD2-CB 4.3Å; L486-R496 HydrophobicContact CG-CB 4.1Å; R496-Q501 WeakPolarHBondContact CA-O 3.4Å
497	N	84.9	Confident	82.6	Confident	24 Å²	24	70.6 Å²	70.6	13%	0.128	34%	0.341	C	S	.	.			trans	-89.1	171.8	177	73.3	10	0	0	0	112.5	L475 L483 S499 G500 Q501	L475-N497 HydrophobicContact CD2-CB 4.45Å; L483-N497 HydrophobicContact CD2-CB 3.58Å; N497-S499 VanDerWaalsContact CG-OG 3.3Å; N497-S499 PolarHBondContact ND2-OG 2.89Å; N497-S499 PolarHBondContact O-N 3.15Å; N497-S499 VanDerWaalsContact O-N 3.17Å; N497-S499 PolarHBondContact OD1-N 3.4Å; N497-S499 VanDerWaalsContact OD1-N 3.17Å; N497-S499 PolarHBondContact OD1-OG 3.33Å; N497-G500 PolarHBondContact O-N 2.96Å; N497-G500 PolarHBondContact OD1-N 2.89Å; N497-Q501 PolarHBondContact N-O 3.43Å; N497-Q501 PolarHBondContact ND2-OE1 3.08Å; N497-Q501 WeakPolarHBondContact OD1-CB 3.34Å; N497-Q501 PolarHBondContact OD1-N 3.08Å; N497-Q501 PolarHBondContact OD1-O 2.88Å
498	R	75.8	Confident	82.4	Confident	205 Å²	205	73.1 Å²	73.1	77%	0.774	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.1	-179.9	62.9	-179.5	170.9	-77.5	-12.5	114.8	E481 G500	E481-R498 IonicContact OE1-CZ 3.79Å; E481-R498 IonicContact OE1-NH1 3.77Å; E481-R498 PolarHBondContact OE1-NH1 3.41Å; E481-R498 IonicContact OE1-NH2 3.63Å; E481-R498 PolarHBondContact OE1-NH2 2.93Å; R498-G500 VanDerWaalsContact C-N 3.34Å
499	S	73	Confident	82.3	Confident	82 Å²	82	71.3 Å²	71.3	57%	0.573	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	9.1	171.5	36.2	0	0	0	0	113.2	N497 Q501	N497-S499 VanDerWaalsContact CG-OG 3.3Å; N497-S499 PolarHBondContact ND2-OG 2.89Å; N497-S499 PolarHBondContact O-N 3.15Å; N497-S499 VanDerWaalsContact O-N 3.17Å; N497-S499 PolarHBondContact OD1-N 3.4Å; N497-S499 VanDerWaalsContact OD1-N 3.17Å; N497-S499 PolarHBondContact OD1-OG 3.33Å; S499-Q501 PolarHBondContact O-N 3.21Å; S499-Q501 PolarHBondContact OG-OE1 3.07Å
500	G	79.2	Confident	83.1	Confident	49 Å²	49	66.1 Å²	66.1	51%	0.505	32%	0.318	S	S	.	.	S	Bend	trans	78.7	-2.6	176.3	0	0	0	0	0	115	N497 R498	N497-G500 PolarHBondContact O-N 2.96Å; N497-G500 PolarHBondContact OD1-N 2.89Å; R498-G500 VanDerWaalsContact C-N 3.34Å
501	Q	76.1	Confident	83.3	Confident	115 Å²	115	64.6 Å²	64.6	54%	0.537	32%	0.315	S	S	.	.			trans	-72	136.4	177	-58.3	161.5	-63.9	0	0	109.1	L475 R496 N497 S499	L475-Q501 HydrophobicContact CD1-CB 4.15Å; R496-Q501 WeakPolarHBondContact CA-O 3.4Å; N497-Q501 PolarHBondContact N-O 3.43Å; N497-Q501 PolarHBondContact ND2-OE1 3.08Å; N497-Q501 WeakPolarHBondContact OD1-CB 3.34Å; N497-Q501 PolarHBondContact OD1-N 3.08Å; N497-Q501 PolarHBondContact OD1-O 2.88Å; S499-Q501 PolarHBondContact O-N 3.21Å; S499-Q501 PolarHBondContact OG-OE1 3.07Å
502	S	89	Confident	83.4	Confident	63 Å²	63	62.3 Å²	62.3	44%	0.441	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138	177.4	67.6	0	0	0	0	112	L495	L495-S502 WeakPolarHBondContact O-CA 3.26Å; L495-S502 WeakPolarHBondContact O-CB 3.4Å
503	G	87.9	Confident	82.8	Confident	5 Å²	5	59.8 Å²	59.8	5%	0.052	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	178.2	176.6	0	0	0	0	0	111.3	N473 K494 L495	N473-G503 CarbonylContact O-C 3.54Å; N473-G503 WeakPolarHBondContact O-CA 3.33Å; K494-G503 WeakPolarHBondContact CA-O 3.45Å; L495-G503 PolarHBondContact N-O 3.48Å; L495-G503 PolarHBondContact O-N 3.14Å; L495-G503 VanDerWaalsContact O-N 3.12Å
504	Y	90	Very high	81.2	Confident	72 Å²	72	68.3 Å²	68.3	28%	0.282	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	139.2	-176.9	-67.7	-74.2	0	0	0	112.4	N473 E474 L475 W492 W493 K494	N473-Y504 HydrophobicContact CB-CD2 4.36Å; N473-Y504 WeakPolarHBondContact O-CD2 3.43Å; N473-Y504 PolarHBondContact O-N 3.03Å; E474-Y504 WeakPolarHBondContact CA-O 3.36Å; L475-Y504 PolarHBondContact N-O 2.97Å; W492-Y504 HydrophobicContact CB-CD1 4.26Å; W493-Y504 CarbonylContact O-C 3.54Å; W493-Y504 WeakPolarHBondContact O-CA 3.07Å; K494-Y504 HydrophobicContact CB-CD1 4Å; K494-Y504 HydrophobicContact CB-CE1 3.81Å; K494-Y504 HydrophobicContact CD-CE1 4.3Å; K494-Y504 HydrophobicContact CG-CD1 4.49Å; K494-Y504 HydrophobicContact CG-CE1 4.25Å
505	V	86.8	Confident	79	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.2	177.2	-176.5	0	0	0	0	108.7	I463 L475 V477 W492 W493 L495 I509	I463-V505 HydrophobicContact CD1-CG1 4.05Å; L475-V505 HydrophobicContact CB-CG2 3.87Å; L475-V505 HydrophobicContact CD2-CG2 4.48Å; V477-V505 HydrophobicContact CG1-CG2 3.99Å; V477-V505 HydrophobicContact CG2-CG1 4.04Å; V477-V505 HydrophobicContact CG2-CG2 4.32Å; W492-V505 CarbonylContact C-O 3.51Å; W492-V505 WeakPolarHBondContact CA-O 3.45Å; W493-V505 PolarHBondContact N-O 3.31Å; W493-V505 PolarHBondContact O-N 3.45Å; L495-V505 HydrophobicContact CB-CG2 4.42Å; L495-V505 HydrophobicContact CD1-CB 3.88Å; L495-V505 HydrophobicContact CD1-CG1 4.29Å; L495-V505 HydrophobicContact CD1-CG2 3.87Å; L495-V505 HydrophobicContact CG-CB 4.33Å; L495-V505 HydrophobicContact CG-CG2 4.22Å; V505-I509 HydrophobicContact CG1-CD1 3.77Å; V505-I509 HydrophobicContact CG1-CG1 3.87Å
506	P	81.4	Confident	76.5	Confident	14 Å²	14	79.9 Å²	79.9	9%	0.091	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	136.8	178.2	-24.5	34.6	0	0	0	112.8	F467 W492 N508 I509	F467-P506 HydrophobicContact CD2-CG 4.3Å; F467-P506 HydrophobicContact CE2-CG 3.94Å; F467-P506 HydrophobicContact CZ-CG 4.23Å; W492-P506 HydrophobicContact CD2-CG 4.22Å; W492-P506 HydrophobicContact CE3-CG 3.89Å; W492-P506 HydrophobicContact CH2-CG 3.79Å; W492-P506 HydrophobicContact CZ2-CG 4.06Å; W492-P506 HydrophobicContact CZ3-CG 3.67Å; P506-N508 WeakPolarHBondContact CB-OD1 3.14Å; P506-N508 PolarHBondContact O-N 2.88Å; P506-N508 VanDerWaalsContact O-N 3.17Å; P506-I509 HydrophobicContact CB-CG1 4.34Å; P506-I509 VanDerWaalsContact O-CG1 3.3Å; P506-I509 WeakPolarHBondContact O-CG1 3.4Å; P506-I509 PolarHBondContact O-N 2.86Å
507	Y	79.9	Confident	73.8	Confident	114 Å²	114	84.4 Å²	84.4	45%	0.447	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-63.5	-24.7	-177	89.1	-80.3	0	0	0	113.6	Q491 I509 L510	Q491-Y507 HydrophobicContact CB-CD1 4.47Å; Q491-Y507 WeakPolarHBondContact O-CD1 3.23Å; Q491-Y507 PolarHBondContact O-N 3.35Å; Y507-I509 PolarHBondContact O-N 3.39Å; Y507-L510 WeakPolarHBondContact O-CG 3.29Å
508	N	79.1	Confident	71.4	Confident	101 Å²	101	89.2 Å²	89.2	54%	0.54	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-80	-2.4	-174.4	68.9	-50.6	0	0	0	113.9	P506	P506-N508 WeakPolarHBondContact CB-OD1 3.14Å; P506-N508 PolarHBondContact O-N 2.88Å; P506-N508 VanDerWaalsContact O-N 3.17Å
509	I	80.6	Confident	69.1	Low	20 Å²	20	88.8 Å²	88.8	10%	0.103	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-115	19.2	177.9	69.1	164.8	0	0	0	113.1	R464 Y465 F467 V505 P506 Y507	R464-I509 PolarHBondContact N-O 2.9Å; Y465-I509 HydrophobicContact CD2-CB 4.12Å; Y465-I509 HydrophobicContact CD2-CG2 3.96Å; F467-I509 HydrophobicContact CB-CD1 3.34Å; F467-I509 HydrophobicContact CD2-CD1 4.17Å; F467-I509 HydrophobicContact CG-CD1 3.8Å; V505-I509 HydrophobicContact CG1-CD1 3.77Å; V505-I509 HydrophobicContact CG1-CG1 3.87Å; P506-I509 HydrophobicContact CB-CG1 4.34Å; P506-I509 VanDerWaalsContact O-CG1 3.3Å; P506-I509 WeakPolarHBondContact O-CG1 3.4Å; P506-I509 PolarHBondContact O-N 2.86Å; Y507-I509 PolarHBondContact O-N 3.39Å
510	L	86.5	Confident	67.1	Low	17 Å²	17	92.4 Å²	92.4	9%	0.089	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.4	179.3	62	78	0	0	0	113	A461 K462 I463 W493 L495 Y507	A461-L510 HydrophobicContact CB-CB 4.36Å; A461-L510 HydrophobicContact CB-CD1 4.34Å; A461-L510 HydrophobicContact CB-CD2 4.4Å; K462-L510 CarbonylContact O-C 3.5Å; K462-L510 VanDerWaalsContact O-CA 3.31Å; K462-L510 WeakPolarHBondContact O-CA 3.43Å; I463-L510 HydrophobicContact CD1-CB 3.85Å; W493-L510 HydrophobicContact CB-CD2 3.96Å; W493-L510 HydrophobicContact CD2-CD1 4.1Å; W493-L510 HydrophobicContact CD2-CD2 4.05Å; W493-L510 HydrophobicContact CE3-CD1 3.78Å; W493-L510 HydrophobicContact CE3-CD2 3.96Å; W493-L510 HydrophobicContact CG-CD2 4.07Å; W493-L510 HydrophobicContact CH2-CD1 4.34Å; W493-L510 HydrophobicContact CZ3-CD1 3.92Å; L495-L510 HydrophobicContact CD1-CD2 3.89Å; L495-L510 HydrophobicContact CD2-CD2 4.48Å; Y507-L510 WeakPolarHBondContact O-CG 3.29Å
511	D	76.9	Confident	65.1	Low	66 Å²	66	95 Å²	95	35%	0.353	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.9	170.4	-88	-49	0	0	0	109.6	A461 K462 R464 V513	A461-D511 CarbonylContact C-O 3.6Å; A461-D511 WeakPolarHBondContact CA-O 3.18Å; K462-D511 PolarHBondContact N-O 2.88Å; K462-D511 PolarHBondContact O-N 3.28Å; R464-D511 IonicContact CZ-OD1 3.22Å; R464-D511 IonicContact CZ-OD2 2.66Å; R464-D511 IonicContact NE-OD1 3.73Å; R464-D511 PolarHBondContact NE-OD1 3.23Å; R464-D511 IonicContact NE-OD2 2.62Å; R464-D511 PolarHBondContact NE-OD2 3.46Å; R464-D511 VanDerWaalsContact NH2-CG 3.31Å; R464-D511 IonicContact NH2-OD1 2.77Å; R464-D511 PolarHBondContact NH2-OD1 3.45Å; R464-D511 IonicContact NH2-OD2 2.77Å; R464-D511 PolarHBondContact NH2-OD2 2.79Å; D511-V513 PolarHBondContact O-N 3.37Å
512	V	78.9	Confident	62.7	Low	81 Å²	81	100.1 Å²	100.1	49%	0.491	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	118	173.5	-171.4	0	0	0	0	109.6	W493	W493-V512 HydrophobicContact CH2-CG2 3.46Å; W493-V512 VanDerWaalsContact CH2-CG2 3.46Å; W493-V512 HydrophobicContact CZ3-CG2 3.72Å
513	V	74.4	Confident	60.5	Low	47 Å²	47	102.5 Å²	102.5	29%	0.285	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.5	174.9	-179.7	0	0	0	0	109	Y460 K462 D511	Y460-V513 PolarHBondContact N-O 3.01Å; Y460-V513 PolarHBondContact O-N 3.25Å; Y460-V513 VanDerWaalsContact O-O 3.12Å; K462-V513 HydrophobicContact CB-CG2 3.66Å; D511-V513 PolarHBondContact O-N 3.37Å
514	R	53.8	Low	57.7	Low	214 Å²	214	107.3 Å²	107.3	81%	0.808	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-91.8	132.7	162	-63.6	-179	-177.5	178.3	0.9	107.6	E516	R514-E516 PolarHBondContact O-N 3.48Å
515	L	44.2	Very low	54.6	Low	130 Å²	130	109.8 Å²	109.8	68%	0.681	56%	0.562	S	S	*	*			trans	-83.7	105.8	169.1	-70	167.6	0	0	0	107.5	Y460	Y460-L515 HydrophobicContact CD2-CD1 3.84Å; Y460-L515 HydrophobicContact CD2-CG 4.42Å; Y460-L515 HydrophobicContact CE2-CD1 3.81Å
516	E	38.3	Very low	51.7	Low	170 Å²	170	119.2 Å²	119.2	79%	0.794	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-90.3	133.1	160	-68.2	178.7	170.4	0	0	107.2	R514 P518	R514-E516 PolarHBondContact O-N 3.48Å; E516-P518 WeakPolarHBondContact O-CD 3.48Å
517	E	31.8	Very low	49.1	Very low	184 Å²	184	129.9 Å²	129.9	86%	0.86	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-83.5	124.2	-172.5	-64.4	-179.9	145.9	0	0	110.9
518	P	34.7	Very low	46.5	Very low	125 Å²	125	127.9 Å²	127.9	81%	0.812	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-89	138.2	169.8	-4.4	24.5	0	0	0	111.4	E516	E516-P518 WeakPolarHBondContact O-CD 3.48Å
519	E	28.1	Very low	43.8	Very low	196 Å²	196	128.8 Å²	128.8	92%	0.916	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-76.3	164.1	179.9	-61.5	-174.2	131.7	0	0	114.2
520	D	30.2	Very low	42.1	Very low	158 Å²	158	133.2 Å²	133.2	85%	0.845	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-71.2	144.9	-176.4	-94.4	-49.8	0	0	0	114.7
521	P	37.4	Very low	39.2	Very low	103 Å²	103	137.7 Å²	137.7	67%	0.669	72%	0.723	S	S	*	*			trans	-105	138.5	-175.1	37.7	-33.7	0	0	0	116.2
522	Y	27.2	Very low	36.6	Very low	223 Å²	223	142.1 Å²	142.1	88%	0.875	74%	0.742	S	S	*	*			trans	-154.9	160	166.4	-81.4	-76.4	0	0	0	109.9
523	P	42.9	Very low	34	Very low	112 Å²	112	144.7 Å²	144.7	73%	0.727	75%	0.752	S	S	*	*				-132.5	-172.5	-67.2	35.6	-15.7	0	0	0	113.2
524	S	27.4	Very low	31.7	Very low	107 Å²	107	148.6 Å²	148.6	75%	0.748	77%	0.771	S	S	*	*			trans	70.5	156.9	174.6	-90.8	0	0	0	0	116.5
525	D	25	Very low	30.4	Very low	124 Å²	124	145.4 Å²	145.4	66%	0.663	77%	0.765	S	S	*	*			cis	-152.1	152.1	8.8	-128.9	8.4	0	0	0	115.1
526	Y	26.1	Very low	29.5	Very low	197 Å²	197	146.6 Å²	146.6	77%	0.773	76%	0.764	S	S	*	*			trans	37.9	143.9	154.6	-85	-81.1	0	0	0	126.3
527	R	27	Very low	28.9	Very low	239 Å²	239	147.8 Å²	147.8	90%	0.902	76%	0.762	S	S	*	*			trans	84.8	133.5	146.7	-158.8	-174.6	-54.6	-102.3	-1.6	117.4
528	G	25.1	Very low	28.6	Very low	72 Å²	72	144.6 Å²	144.6	74%	0.742	75%	0.751	S	S	*	*			cis	179.4	162.4	-6.7	0	0	0	0	0	113.3
529	S	22.8	Very low	28.3	Very low	119 Å²	119	142.2 Å²	142.2	83%	0.832	74%	0.737	S	S	*	*			trans	-82.5	-176.5	178.6	-24.6	0	0	0	0	113
530	P	45.6	Very low	28.1	Very low	114 Å²	114	141.6 Å²	141.6	74%	0.74	73%	0.731	S	S	*	*			cis	-116.6	-139.4	-3.5	28.9	-3.8	0	0	0	110.7
531	T	25.2	Very low	28	Very low	110 Å²	110	143.1 Å²	143.1	68%	0.675	73%	0.73	S	S	*	*			cis	-162.5	133.5	5.5	-1.7	0	0	0	0	105.5
532	E	22.8	Very low	27.5	Very low	159 Å²	159	142.2 Å²	142.2	74%	0.743	74%	0.74	S	S	*	*				95.1	154.5	72.4	-156.8	-164.5	-146	0	0	113.8
533	L	24.5	Very low	27.4	Very low	135 Å²	135	135.1 Å²	135.1	71%	0.707	74%	0.735	S	S	*	*			trans	75.1	150.7	167.4	-48.8	176.5	0	0	0	117.5
534	L	25.1	Very low	26.8	Very low	129 Å²	129	137 Å²	137	68%	0.675	74%	0.737	S	S	*	*			cis	-166.3	174.1	-42.3	-125.6	-179.5	0	0	0	108.7
535	H	27.4	Very low	26.9	Very low	148 Å²	148	138 Å²	138	69%	0.685	73%	0.73	S	S	*	*			trans	73	156	157.6	-68	-23.1	0	0	0	119.8
536	K	25.8	Very low	27.1	Very low	154 Å²	154	141.7 Å²	141.7	67%	0.67	74%	0.74	S	S	*	*			cis	-176	153.2	-29.7	-154.9	-174	-173.5	166.7	0	110.4
537	R	24.6	Very low	27.9	Very low	195 Å²	195	139.5 Å²	139.5	74%	0.736	74%	0.742	S	S	*	*			trans	69.5	126.2	148.1	-100.5	-168	153.8	143.1	5.5	118.7
538	D	25.5	Very low	28.6	Very low	118 Å²	118	134.9 Å²	134.9	63%	0.631	73%	0.728	S	S	*	*				106.9	154.8	80.9	-103	-13.9	0	0	0	110.4
539	S	28.1	Very low	29.6	Very low	74 Å²	74	140.1 Å²	140.1	52%	0.517	73%	0.731	S	S	.	*			cis	-170.3	177.8	-19.1	-122.5	0	0	0	0	110.2
540	F	25	Very low	30.8	Very low	183 Å²	183	142 Å²	142	80%	0.803	73%	0.728	S	S	*	*			trans	77	155	165.2	-53.3	-61.3	0	0	0	118.3
541	K	28	Very low	31	Very low	190 Å²	190	140.9 Å²	140.9	83%	0.826	72%	0.716	S	S	*	*			cis	-160.4	149.8	0.2	-130.7	167.9	-170.2	177.8	0	113.3
542	G	25.9	Very low	32.1	Very low	84 Å²	84	142.3 Å²	142.3	87%	0.866	72%	0.715	S	S	*	*			trans	77.2	155.7	164	0	0	0	0	0	116.1
543	G	25.4	Very low	33.6	Very low	75 Å²	75	139.4 Å²	139.4	77%	0.773	71%	0.708	S	S	*	*			cis	136.5	141.9	3.8	0	0	0	0	0	110.1
544	I	31.2	Very low	34.7	Very low	151 Å²	151	138.3 Å²	138.3	77%	0.774	70%	0.703	S	S	*	*			cis	-147.9	136.2	8.9	-76.1	174.6	0	0	0	111.3
545	Q	28.5	Very low	35.6	Very low	128 Å²	128	136.5 Å²	136.5	60%	0.598	69%	0.694	S	S	*	*			trans	10.9	126.4	148.9	-54.4	166.9	68.4	0	0	120.9
546	K	30.5	Very low	37	Very low	202 Å²	202	134.6 Å²	134.6	88%	0.878	69%	0.685	S	S	*	*			trans	-167.8	88.6	132.2	-112.6	-179.7	-174.9	179.9	0	112.9
547	D	41.7	Very low	38	Very low	151 Å²	151	132.3 Å²	132.3	81%	0.807	68%	0.68	S	S	*	*			trans	-164.1	44.5	147.4	-112.9	-18.8	0	0	0	111.9	K549	D547-K549 PolarHBondContact O-N 2.97Å
548	K	42.4	Very low	39	Very low	142 Å²	142	128.1 Å²	128.1	62%	0.617	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	41.5	-162.4	-154.1	178.9	-170.6	174.2	0	113.7
549	K	45.3	Very low	40	Very low	182 Å²	182	129.4 Å²	129.4	79%	0.791	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.6	-0.1	-172	-141.4	-179.9	-176.3	-176.3	0	115	D547	D547-K549 PolarHBondContact O-N 2.97Å
550	M	48.3	Very low	40.9	Very low	157 Å²	157	133 Å²	133	77%	0.773	68%	0.681	S	S	*	*	S	Bend	trans	-107.7	-25.5	172.7	-160	161.7	69.7	0	0	112.7	E552	M550-E552 PolarHBondContact O-N 3.29Å
551	D	49.2	Very low	42	Very low	92 Å²	92	130.8 Å²	130.8	49%	0.492	68%	0.677	S	S	.	*	H	α-helix	trans	-71.4	-25.1	-179.4	-66.9	-45.7	0	0	0	114.4	N554 N555	D551-N554 PolarHBondContact O-N 3.13Å; D551-N555 PolarHBondContact O-N 3.11Å; D551-N555 PolarHBondContact O-ND2 2.84Å
552	E	49.3	Very low	42.7	Very low	140 Å²	140	127.1 Å²	127.1	65%	0.654	67%	0.67	S	S	*	*	H	α-helix	trans	-65.7	-41.4	-177.5	-64	-176.6	144.2	0	0	111.3	M550 N554 N555 E556	M550-E552 PolarHBondContact O-N 3.29Å; E552-N554 VanDerWaalsContact C-N 3.31Å; E552-N554 PolarHBondContact O-N 3.38Å; E552-N555 PolarHBondContact O-N 3.23Å; E552-E556 PolarHBondContact O-N 3.5Å
553	V	53.7	Low	43.2	Very low	98 Å²	98	126.9 Å²	126.9	59%	0.594	66%	0.661	S	S	*	*	H	α-helix	trans	-64.5	-37.3	174.1	-173.3	0	0	0	0	111.3	E556 L557	V553-E556 PolarHBondContact O-N 3.22Å; V553-L557 PolarHBondContact O-N 3.05Å
554	N	46.7	Very low	43.6	Very low	111 Å²	111	130.9 Å²	130.9	59%	0.594	66%	0.664	S	S	*	*	H	α-helix	trans	-70.2	-37.6	-177.6	-136.3	4.3	0	0	0	111.7	D551 E552 L558	D551-N554 PolarHBondContact O-N 3.13Å; E552-N554 VanDerWaalsContact C-N 3.31Å; E552-N554 PolarHBondContact O-N 3.38Å; N554-L558 PolarHBondContact O-N 3.49Å
555	N	45.9	Very low	43.7	Very low	91 Å²	91	133.1 Å²	133.1	49%	0.487	67%	0.668	S	S	.	*	H	α-helix	trans	-69.5	-32.7	175.4	-79.2	-79.7	0	0	0	112.8	D551 E552 L558 M559	D551-N555 PolarHBondContact O-N 3.11Å; D551-N555 PolarHBondContact O-ND2 2.84Å; E552-N555 PolarHBondContact O-N 3.23Å; N555-L558 PolarHBondContact O-N 3.42Å; N555-M559 PolarHBondContact O-N 3.07Å
556	E	56.7	Low	44.2	Very low	109 Å²	109	134.6 Å²	134.6	51%	0.509	68%	0.68	S	S	.	*	H	α-helix	trans	-66.2	-37.8	176.6	-155.8	-160.3	136.8	0	0	112.2	E552 V553 K560	E552-E556 PolarHBondContact O-N 3.5Å; V553-E556 PolarHBondContact O-N 3.22Å; E556-K560 WeakPolarHBondContact O-CG 3.41Å; E556-K560 PolarHBondContact O-N 2.96Å; E556-K560 WeakPolarHBondContact OE1-CE 3.45Å; E556-K560 IonicContact OE1-NZ 2.55Å; E556-K560 PolarHBondContact OE1-NZ 3.33Å
557	L	46.6	Very low	44.4	Very low	106 Å²	106	130.9 Å²	130.9	56%	0.555	68%	0.677	S	S	*	*	H	α-helix	trans	-64.7	-44.7	171.5	-104.5	74.1	0	0	0	111.7	V553 M559 K560 I561	V553-L557 PolarHBondContact O-N 3.05Å; L557-M559 VanDerWaalsContact C-N 3.34Å; L557-M559 PolarHBondContact O-N 2.91Å; L557-K560 PolarHBondContact O-N 3.37Å; L557-K560 VanDerWaalsContact O-N 3.16Å; L557-I561 PolarHBondContact O-N 3.35Å
558	L	44.3	Very low	44.2	Very low	107 Å²	107	129.3 Å²	129.3	56%	0.56	68%	0.675	S	S	*	*	H	α-helix	trans	-61.8	-41.9	-176.9	-165.9	65.1	0	0	0	111.8	N554 N555 K560 I561 T562	N554-L558 PolarHBondContact O-N 3.49Å; N555-L558 PolarHBondContact O-N 3.42Å; L558-K560 VanDerWaalsContact C-N 3.31Å; L558-K560 PolarHBondContact O-N 3.49Å; L558-I561 PolarHBondContact O-N 3.4Å; L558-T562 PolarHBondContact O-N 2.89Å; L558-T562 PolarHBondContact O-OG1 2.7Å; L558-T562 VanDerWaalsContact O-OG1 3.13Å
559	M	47.6	Very low	43.7	Very low	145 Å²	145	128.6 Å²	128.6	71%	0.714	69%	0.685	S	S	*	*	H	α-helix	trans	-61.1	-35	175.5	-78.9	-69.6	169.4	0	0	113.5	N555 L557 I561	N555-M559 PolarHBondContact O-N 3.07Å; L557-M559 VanDerWaalsContact C-N 3.34Å; L557-M559 PolarHBondContact O-N 2.91Å; M559-I561 VanDerWaalsContact C-N 3.3Å; M559-I561 PolarHBondContact O-N 2.82Å
560	K	46.3	Very low	42.9	Very low	148 Å²	148	131.6 Å²	131.6	64%	0.643	69%	0.691	S	S	*	*	H	α-helix	trans	-75.4	-15.5	-179.3	-71.9	171.1	-179.6	171.8	0	113.9	E556 L557 L558	E556-K560 WeakPolarHBondContact O-CG 3.41Å; E556-K560 PolarHBondContact O-N 2.96Å; E556-K560 WeakPolarHBondContact OE1-CE 3.45Å; E556-K560 IonicContact OE1-NZ 2.55Å; E556-K560 PolarHBondContact OE1-NZ 3.33Å; L557-K560 PolarHBondContact O-N 3.37Å; L557-K560 VanDerWaalsContact O-N 3.16Å; L558-K560 VanDerWaalsContact C-N 3.31Å; L558-K560 PolarHBondContact O-N 3.49Å
561	I	48.9	Very low	42	Very low	137 Å²	137	133.8 Å²	133.8	70%	0.703	70%	0.696	S	S	*	*	H	α-helix	trans	-92.7	-28.4	-180	-66.3	170.4	0	0	0	112.2	L557 L558 M559 A563	L557-I561 PolarHBondContact O-N 3.35Å; L558-I561 PolarHBondContact O-N 3.4Å; M559-I561 VanDerWaalsContact C-N 3.3Å; M559-I561 PolarHBondContact O-N 2.82Å; I561-A563 PolarHBondContact O-N 2.98Å
562	T	41.3	Very low	41.1	Very low	113 Å²	113	136.8 Å²	136.8	69%	0.693	71%	0.711	S	S	*	*	S	Bend	trans	-85.5	-0.7	-169.2	-48.5	0	0	0	0	114.8	L558	L558-T562 PolarHBondContact O-N 2.89Å; L558-T562 PolarHBondContact O-OG1 2.7Å; L558-T562 VanDerWaalsContact O-OG1 3.13Å
563	A	38	Very low	40.2	Very low	80 Å²	80	139.5 Å²	139.5	66%	0.661	72%	0.715	S	S	*	*			trans	-110.9	38	-160.8	0	0	0	0	0	117	I561	I561-A563 PolarHBondContact O-N 2.98Å
564	N	32.8	Very low	39.2	Very low	159 Å²	159	141.7 Å²	141.7	85%	0.85	72%	0.722	S	S	*	*			trans	-153.9	155.7	156.6	-136.3	-25.4	0	0	0	114.1
565	K	34.2	Very low	38.3	Very low	198 Å²	198	142.8 Å²	142.8	86%	0.861	72%	0.724	S	S	*	*			trans	-127.1	135.4	-170.3	-68.8	-180	179.9	174.9	0	114.4
566	N	38.4	Very low	37.4	Very low	158 Å²	158	149.3 Å²	149.3	85%	0.845	74%	0.741	S	S	*	*			trans	-22.6	148.2	166.6	-57.5	-16.3	0	0	0	118.1
567	P	34.6	Very low	36.2	Very low	125 Å²	125	150 Å²	150	81%	0.812	76%	0.755	S	S	*	*				-134.1	179.2	92.9	36	-22.1	0	0	0	114.3
568	P	38	Very low	35.8	Very low	117 Å²	117	149.8 Å²	149.8	76%	0.76	77%	0.769	S	S	*	*			trans	-122.1	166.7	-137.2	43.7	-37.4	0	0	0	118.1
569	P	30.7	Very low	35.5	Very low	127 Å²	127	147.9 Å²	147.9	83%	0.825	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-96.2	162.2	153.7	35.8	-30.2	0	0	0	112.9
570	R	29.3	Very low	35.3	Very low	245 Å²	245	146.3 Å²	146.3	93%	0.925	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-79.7	144.1	-170.3	-63.4	168.8	179.6	151	-1	112.8	I572	R570-I572 PolarHBondContact O-N 3.3Å
571	K	28.6	Very low	35.7	Very low	203 Å²	203	146.9 Å²	146.9	88%	0.883	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-70.5	116.6	169	-69.5	179	179.5	176.4	0	110.3
572	I	31.2	Very low	36.5	Very low	156 Å²	156	142.3 Å²	142.3	80%	0.8	75%	0.753	S	S	*	*			trans	-103.4	105	150.3	-65.9	174.1	0	0	0	105.8	R570 I574	R570-I572 PolarHBondContact O-N 3.3Å; I572-I574 HydrophobicContact CG2-CG1 4.33Å
573	R	30.5	Very low	37.9	Very low	196 Å²	196	141.2 Å²	141.2	74%	0.74	75%	0.747	S	S	*	*			trans	-99.1	94	-178.7	-165.2	-172.2	-165.3	-168.5	6	109	E575	R573-E575 VanDerWaalsContact CD-OE1 3.23Å; R573-E575 WeakPolarHBondContact CD-OE1 3.34Å; R573-E575 HydrophobicContact CG-CG 3.91Å; R573-E575 IonicContact CZ-OE1 2.93Å; R573-E575 IonicContact NE-OE1 3.12Å; R573-E575 PolarHBondContact NE-OE1 2.93Å; R573-E575 VanDerWaalsContact NE-OE1 3.12Å; R573-E575 IonicContact NH1-OE1 2.62Å; R573-E575 PolarHBondContact NH1-OE1 3.08Å; R573-E575 IonicContact NH2-OE1 3.78Å; R573-E575 PolarHBondContact O-N 3.05Å
574	I	31.7	Very low	39.8	Very low	145 Å²	145	137.4 Å²	137.4	74%	0.744	72%	0.716	S	S	*	*			trans	-81.4	100.2	164.2	-58.4	177.4	0	0	0	106.7	I572 R576	I572-I574 HydrophobicContact CG2-CG1 4.33Å; I574-R576 PolarHBondContact O-N 3.23Å
575	E	28.8	Very low	41.9	Very low	134 Å²	134	132.1 Å²	132.1	63%	0.626	69%	0.689	S	S	*	*			trans	-74.1	106.7	169.8	-65.7	-175.4	-174.9	0	0	108.7	R573	R573-E575 VanDerWaalsContact CD-OE1 3.23Å; R573-E575 WeakPolarHBondContact CD-OE1 3.34Å; R573-E575 HydrophobicContact CG-CG 3.91Å; R573-E575 IonicContact CZ-OE1 2.93Å; R573-E575 IonicContact NE-OE1 3.12Å; R573-E575 PolarHBondContact NE-OE1 2.93Å; R573-E575 VanDerWaalsContact NE-OE1 3.12Å; R573-E575 IonicContact NH1-OE1 2.62Å; R573-E575 PolarHBondContact NH1-OE1 3.08Å; R573-E575 IonicContact NH2-OE1 3.78Å; R573-E575 PolarHBondContact O-N 3.05Å
576	R	27.3	Very low	43.6	Very low	228 Å²	228	126.1 Å²	126.1	86%	0.86	67%	0.672	S	S	*	*			trans	-83.2	132.7	162	-95.5	-175.9	170.1	172.9	-2.4	108.5	I574	I574-R576 PolarHBondContact O-N 3.23Å
577	P	31.7	Very low	44.9	Very low	122 Å²	122	127 Å²	127	79%	0.792	67%	0.672	S	S	*	*			trans	-55.4	148	173.9	-25.9	34.8	0	0	0	112	A579	P577-A579 PolarHBondContact O-N 3.45Å
578	A	38.2	Very low	46.9	Very low	103 Å²	103	121.2 Å²	121.2	85%	0.851	63%	0.634	S	S	*	*			trans	-67.8	103	172.1	0	0	0	0	0	109.4
579	A	38.1	Very low	48.3	Very low	67 Å²	67	117.4 Å²	117.4	55%	0.554	61%	0.61	S	S	*	*			trans	-62.6	143	172.4	0	0	0	0	0	110.1	P577 Q581	P577-A579 PolarHBondContact O-N 3.45Å; A579-Q581 PolarHBondContact O-N 3.44Å
580	P	43	Very low	50.3	Low	112 Å²	112	113.2 Å²	113.2	73%	0.727	58%	0.583	S	S	*	*			trans	-59.6	127.1	178.7	24.2	-33.4	0	0	0	110.3	V582	P580-V582 PolarHBondContact O-N 3.07Å
581	Q	54.8	Low	52.7	Low	160 Å²	160	106.8 Å²	106.8	75%	0.748	56%	0.563	S	S	*	*			trans	-69.1	94.1	175.7	-66.9	-83.4	8.2	0	0	108.8	A579 P583	A579-Q581 PolarHBondContact O-N 3.44Å; Q581-P583 VanDerWaalsContact O-CD 3.26Å; Q581-P583 WeakPolarHBondContact O-CD 3.43Å
582	V	64.8	Low	55.1	Low	41 Å²	41	101.3 Å²	101.3	25%	0.248	54%	0.541	C	S	.	.			trans	-66.5	117.8	164.3	-178.7	0	0	0	0	107	P580 W596 A599	P580-V582 PolarHBondContact O-N 3.07Å; V582-W596 HydrophobicContact CG1-CB 4.16Å; V582-W596 VanDerWaalsContact O-CD1 3.25Å; V582-A599 HydrophobicContact CG2-CB 3.94Å
583	P	70.6	Confident	57.3	Low	90 Å²	90	93.9 Å²	93.9	58%	0.584	50%	0.503	S	S	*	.			trans	-77.7	131.6	174.5	31.5	-32	0	0	0	109.5	Q581	Q581-P583 VanDerWaalsContact O-CD 3.26Å; Q581-P583 WeakPolarHBondContact O-CD 3.43Å
584	L	79.4	Confident	59.9	Low	0 Å²	0	86.6 Å²	86.6	0%	0	48%	0.48	C	S	.	.			trans	-105.9	125.1	170.4	166.1	70.8	0	0	0	108	V593 W596 L618 F619 Q644	L584-V593 HydrophobicContact CD1-CG2 3.7Å; L584-W596 HydrophobicContact CB-CB 4.43Å; L584-W596 VanDerWaalsContact CB-CD1 3.44Å; L584-W596 HydrophobicContact CB-CD2 4.12Å; L584-W596 HydrophobicContact CB-CG 3.8Å; L584-W596 HydrophobicContact CD2-CD2 3.75Å; L584-W596 HydrophobicContact CD2-CE3 3.95Å; L584-W596 HydrophobicContact CD2-CG 4.26Å; L584-W596 HydrophobicContact CD2-CH2 4.07Å; L584-W596 HydrophobicContact CD2-CZ2 3.86Å; L584-W596 HydrophobicContact CD2-CZ3 4.11Å; L584-W596 HydrophobicContact CG-CD2 4.5Å; L584-L618 HydrophobicContact CD2-CD2 3.92Å; L584-F619 HydrophobicContact CD1-CE2 4.47Å; L584-F619 HydrophobicContact CD2-CE1 4.33Å; L584-F619 HydrophobicContact CD2-CE2 4.38Å; L584-F619 HydrophobicContact CD2-CZ 3.9Å; L584-F619 HydrophobicContact CG-CE2 3.93Å; L584-F619 HydrophobicContact CG-CZ 3.74Å; L584-Q644 HydrophobicContact CB-CG 3.98Å; L584-Q644 HydrophobicContact CD2-CG 4.48Å; L584-Q644 HydrophobicContact CG-CG 4.41Å; L584-Q644 VanDerWaalsContact O-CG 3.24Å; L584-Q644 WeakPolarHBondContact O-CG 3.29Å
585	T	77.1	Confident	62.4	Low	48 Å²	48	87.7 Å²	87.7	29%	0.294	48%	0.475	S	S	.	.			trans	-129.1	166.9	-179.1	75.3	0	0	0	0	110.6	Q587 S588 G615 L648	T585-Q587 PolarHBondContact O-N 2.84Å; T585-Q587 VanDerWaalsContact O-N 3.17Å; T585-Q587 PolarHBondContact OG1-N 2.86Å; T585-S588 PolarHBondContact N-OG 2.9Å; T585-S588 WeakPolarHBondContact O-CB 3.48Å; T585-S588 PolarHBondContact O-N 3.29Å; T585-S588 PolarHBondContact O-OG 2.93Å; T585-G615 WeakPolarHBondContact O-CA 3.5Å; T585-L648 HydrophobicContact CG2-CD2 4.14Å
586	S	69.3	Low	65.4	Low	72 Å²	72	81.3 Å²	81.3	50%	0.503	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.3	178.5	49.1	0	0	0	0	113.1	A616	S586-A616 VanDerWaalsContact O-CB 3.3Å; S586-A616 WeakPolarHBondContact O-CB 3.23Å; S586-A616 PolarHBondContact O-N 3.17Å
587	Q	66.1	Low	68.2	Low	177 Å²	177	70.5 Å²	70.5	83%	0.827	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	0.6	177.9	-60.3	-178.4	4.2	0	0	113.7	T585	T585-Q587 PolarHBondContact O-N 2.84Å; T585-Q587 VanDerWaalsContact O-N 3.17Å; T585-Q587 PolarHBondContact OG1-N 2.86Å
588	S	75.7	Confident	70.8	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.021	39%	0.388	C	S	.	.			trans	-64.3	138.3	-175.2	-69.8	0	0	0	0	113.4	T585 T614 G615	T585-S588 PolarHBondContact N-OG 2.9Å; T585-S588 WeakPolarHBondContact O-CB 3.48Å; T585-S588 PolarHBondContact O-N 3.29Å; T585-S588 PolarHBondContact O-OG 2.93Å; S588-T614 CarbonylContact O-C 3.56Å; S588-T614 WeakPolarHBondContact O-CA 3.32Å; S588-T614 WeakPolarHBondContact O-CB 3.43Å; S588-G615 PolarHBondContact O-N 3.28Å
589	S	66.8	Low	72.9	Confident	36 Å²	36	66.3 Å²	66.3	25%	0.252	37%	0.368	S	S	.	.			trans	-76.3	165.1	176.1	80.2	0	0	0	0	112.5	E591 Q592 V593	S589-E591 WeakPolarHBondContact CB-OE2 3.41Å; S589-E591 PolarHBondContact O-N 2.87Å; S589-E591 PolarHBondContact OG-OE2 3.23Å; S589-Q592 VanDerWaalsContact N-OE1 3.12Å; S589-Q592 WeakPolarHBondContact O-CB 3.37Å; S589-Q592 PolarHBondContact O-N 3.06Å; S589-Q592 PolarHBondContact OG-N 3.23Å; S589-V593 PolarHBondContact O-N 3.23Å
590	P	74.1	Confident	75.1	Confident	40 Å²	40	65.5 Å²	65.5	26%	0.26	35%	0.352	S	S	.	.	H	α-helix	trans	-57.6	-34.9	176.2	-24.2	36.5	0	0	0	113.2	Q592 V593 T594 G611 L613 T614	P590-Q592 VanDerWaalsContact C-N 3.34Å; P590-Q592 PolarHBondContact O-N 3.15Å; P590-V593 PolarHBondContact O-N 2.87Å; P590-T594 VanDerWaalsContact O-CB 3.24Å; P590-T594 WeakPolarHBondContact O-CB 3.44Å; P590-T594 PolarHBondContact O-N 3.34Å; P590-T594 PolarHBondContact O-OG1 3.4Å; P590-G611 CarbonylContact C-O 3.53Å; P590-G611 WeakPolarHBondContact CA-O 3.46Å; P590-G611 VanDerWaalsContact CB-O 3.27Å; P590-G611 WeakPolarHBondContact CB-O 3.04Å; P590-L613 WeakPolarHBondContact CA-O 3.47Å; P590-T614 HydrophobicContact CG-CG2 4.27Å
591	E	79.4	Confident	77.2	Confident	109 Å²	109	63.4 Å²	63.4	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-68.5	-35.4	176.5	-50	69	-143	0	0	111.1	S589 R595	S589-E591 WeakPolarHBondContact CB-OE2 3.41Å; S589-E591 PolarHBondContact O-N 2.87Å; S589-E591 PolarHBondContact OG-OE2 3.23Å; E591-R595 WeakPolarHBondContact O-CB 3.27Å; E591-R595 WeakPolarHBondContact O-CD 3.36Å; E591-R595 WeakPolarHBondContact O-CG 3.31Å; E591-R595 PolarHBondContact O-N 3.36Å
592	Q	79.6	Confident	78.8	Confident	88 Å²	88	56.5 Å²	56.5	41%	0.411	31%	0.311	S	S	.	.	H	α-helix	trans	-72.3	-39.9	175	-68	175.5	-14.5	0	0	111.8	S589 P590 R595 W596	S589-Q592 VanDerWaalsContact N-OE1 3.12Å; S589-Q592 WeakPolarHBondContact O-CB 3.37Å; S589-Q592 PolarHBondContact O-N 3.06Å; S589-Q592 PolarHBondContact OG-N 3.23Å; P590-Q592 VanDerWaalsContact C-N 3.34Å; P590-Q592 PolarHBondContact O-N 3.15Å; Q592-R595 PolarHBondContact O-N 2.88Å; Q592-W596 WeakPolarHBondContact O-CB 3.21Å; Q592-W596 PolarHBondContact O-N 3.3Å
593	V	77.2	Confident	79.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-46.6	171.8	170.8	0	0	0	0	110.7	L584 S589 P590 R595 W596 L597 L613 L618	L584-V593 HydrophobicContact CD1-CG2 3.7Å; S589-V593 PolarHBondContact O-N 3.23Å; P590-V593 PolarHBondContact O-N 2.87Å; V593-R595 VanDerWaalsContact C-N 3.35Å; V593-R595 PolarHBondContact O-N 3.33Å; V593-W596 PolarHBondContact O-N 2.97Å; V593-L597 HydrophobicContact CG1-CD1 3.8Å; V593-L597 HydrophobicContact CG1-CG 4.32Å; V593-L597 VanDerWaalsContact O-CG 3.31Å; V593-L597 WeakPolarHBondContact O-CG 3.37Å; V593-L597 PolarHBondContact O-N 3.18Å; V593-L613 WeakPolarHBondContact CB-O 3.24Å; V593-L613 VanDerWaalsContact CG2-O 3.26Å; V593-L613 WeakPolarHBondContact CG2-O 3.47Å; V593-L618 HydrophobicContact CG1-CD2 3.74Å
594	T	83.4	Confident	80.3	Confident	43 Å²	43	61.3 Å²	61.3	26%	0.264	33%	0.326	S	S	.	.	H	α-helix	trans	-56.3	-46.8	173.5	-64.4	0	0	0	0	111.3	P590 L597 N598 V607 G611	P590-T594 VanDerWaalsContact O-CB 3.24Å; P590-T594 WeakPolarHBondContact O-CB 3.44Å; P590-T594 PolarHBondContact O-N 3.34Å; P590-T594 PolarHBondContact O-OG1 3.4Å; T594-L597 PolarHBondContact O-N 3.22Å; T594-N598 PolarHBondContact O-N 2.92Å; T594-N598 PolarHBondContact O-ND2 3.28Å; T594-V607 HydrophobicContact CG2-CG1 4.08Å; T594-G611 WeakPolarHBondContact OG1-CA 3.5Å; T594-G611 PolarHBondContact OG1-O 3.46Å
595	R	84.9	Confident	80.1	Confident	168 Å²	168	66.3 Å²	66.3	63%	0.634	35%	0.349	S	S	*	.	H	α-helix	trans	-62.8	-41	176.2	-73.9	165	-171.4	-172.4	3.9	112.2	E591 Q592 V593 A599	E591-R595 WeakPolarHBondContact O-CB 3.27Å; E591-R595 WeakPolarHBondContact O-CD 3.36Å; E591-R595 WeakPolarHBondContact O-CG 3.31Å; E591-R595 PolarHBondContact O-N 3.36Å; Q592-R595 PolarHBondContact O-N 2.88Å; V593-R595 VanDerWaalsContact C-N 3.35Å; V593-R595 PolarHBondContact O-N 3.33Å; R595-A599 VanDerWaalsContact O-CB 3.27Å; R595-A599 WeakPolarHBondContact O-CB 3.23Å; R595-A599 PolarHBondContact O-N 3.47Å
596	W	91	Very high	80.3	Confident	1 Å²	1	64.1 Å²	64.1	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-46.8	175.8	-176.5	92.7	0	0	0	112.1	V582 L584 Q592 V593 N598 A599 K600 F602 L618 Q640 V641 Q644	V582-W596 HydrophobicContact CG1-CB 4.16Å; V582-W596 VanDerWaalsContact O-CD1 3.25Å; L584-W596 HydrophobicContact CB-CB 4.43Å; L584-W596 VanDerWaalsContact CB-CD1 3.44Å; L584-W596 HydrophobicContact CB-CD2 4.12Å; L584-W596 HydrophobicContact CB-CG 3.8Å; L584-W596 HydrophobicContact CD2-CD2 3.75Å; L584-W596 HydrophobicContact CD2-CE3 3.95Å; L584-W596 HydrophobicContact CD2-CG 4.26Å; L584-W596 HydrophobicContact CD2-CH2 4.07Å; L584-W596 HydrophobicContact CD2-CZ2 3.86Å; L584-W596 HydrophobicContact CD2-CZ3 4.11Å; L584-W596 HydrophobicContact CG-CD2 4.5Å; Q592-W596 WeakPolarHBondContact O-CB 3.21Å; Q592-W596 PolarHBondContact O-N 3.3Å; V593-W596 PolarHBondContact O-N 2.97Å; W596-N598 VanDerWaalsContact C-N 3.35Å; W596-N598 PolarHBondContact O-N 3.44Å; W596-A599 PolarHBondContact O-N 3.36Å; W596-K600 HydrophobicContact CD2-CG 4Å; W596-K600 HydrophobicContact CE3-CG 4.28Å; W596-K600 HydrophobicContact CG-CG 4.49Å; W596-K600 HydrophobicContact CZ2-CD 4.49Å; W596-K600 HydrophobicContact CZ2-CG 4.23Å; W596-K600 WeakPolarHBondContact O-CB 3.41Å; W596-K600 VanDerWaalsContact O-CG 3.25Å; W596-K600 WeakPolarHBondContact O-CG 3.48Å; W596-K600 PolarHBondContact O-N 3.24Å; W596-F602 HydrophobicContact CZ3-CE2 4.1Å; W596-L618 HydrophobicContact CZ3-CD2 4.34Å; W596-Q640 HydrophobicContact CH2-CB 3.64Å; W596-Q640 HydrophobicContact CZ2-CB 4.02Å; W596-V641 HydrophobicContact CH2-CG2 3.75Å; W596-V641 HydrophobicContact CZ3-CG2 4.07Å; W596-Q644 HydrophobicContact CZ2-CB 4.49Å; W596-Q644 VanDerWaalsContact NE1-OE1 3.12Å
597	L	86.8	Confident	81	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-41.8	179.3	-68.9	165.7	0	0	0	111.8	V593 T594 A601 F602 V607 L610	V593-L597 HydrophobicContact CG1-CD1 3.8Å; V593-L597 HydrophobicContact CG1-CG 4.32Å; V593-L597 VanDerWaalsContact O-CG 3.31Å; V593-L597 WeakPolarHBondContact O-CG 3.37Å; V593-L597 PolarHBondContact O-N 3.18Å; T594-L597 PolarHBondContact O-N 3.22Å; L597-A601 PolarHBondContact O-N 2.73Å; L597-F602 HydrophobicContact CB-CD2 4.45Å; L597-F602 HydrophobicContact CD2-CD2 3.83Å; L597-F602 HydrophobicContact CD2-CE2 4.2Å; L597-F602 WeakPolarHBondContact O-CD2 3.27Å; L597-F602 PolarHBondContact O-N 2.76Å; L597-V607 HydrophobicContact CB-CG2 3.87Å; L597-L610 HydrophobicContact CD1-CB 3.63Å; L597-L610 HydrophobicContact CD2-CD1 4.4Å
598	N	85.5	Confident	81.4	Confident	87 Å²	87	59.9 Å²	59.9	47%	0.465	31%	0.309	S	S	.	.	H	α-helix	trans	-64	-47.1	172.6	-78.4	-72	0	0	0	111.9	T594 W596 K600 A601 V607	T594-N598 PolarHBondContact O-N 2.92Å; T594-N598 PolarHBondContact O-ND2 3.28Å; W596-N598 VanDerWaalsContact C-N 3.35Å; W596-N598 PolarHBondContact O-N 3.44Å; N598-K600 VanDerWaalsContact C-N 3.26Å; N598-K600 PolarHBondContact O-N 3.29Å; N598-A601 WeakPolarHBondContact O-CA 3.49Å; N598-A601 PolarHBondContact O-N 3.49Å; N598-V607 VanDerWaalsContact ND2-CG1 3.31Å; N598-V607 WeakPolarHBondContact ND2-CG1 3.3Å
599	A	83.5	Confident	81.3	Confident	50 Å²	50	61.4 Å²	61.4	41%	0.413	32%	0.32	S	S	.	.	H	α-helix	trans	-63	-29.5	180	0	0	0	0	0	113.3	V582 R595 W596 A601	V582-A599 HydrophobicContact CG2-CB 3.94Å; R595-A599 VanDerWaalsContact O-CB 3.27Å; R595-A599 WeakPolarHBondContact O-CB 3.23Å; R595-A599 PolarHBondContact O-N 3.47Å; W596-A599 PolarHBondContact O-N 3.36Å; A599-A601 VanDerWaalsContact C-N 3.25Å; A599-A601 PolarHBondContact O-N 2.88Å
600	K	84.7	Confident	81.8	Confident	51 Å²	51	59.7 Å²	59.7	22%	0.222	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-1.8	173.3	-65.1	-70.8	-174.4	166.9	0	113.7	W596 N598 F602 R636	W596-K600 HydrophobicContact CD2-CG 4Å; W596-K600 HydrophobicContact CE3-CG 4.28Å; W596-K600 HydrophobicContact CG-CG 4.49Å; W596-K600 HydrophobicContact CZ2-CD 4.49Å; W596-K600 HydrophobicContact CZ2-CG 4.23Å; W596-K600 WeakPolarHBondContact O-CB 3.41Å; W596-K600 VanDerWaalsContact O-CG 3.25Å; W596-K600 WeakPolarHBondContact O-CG 3.48Å; W596-K600 PolarHBondContact O-N 3.24Å; N598-K600 VanDerWaalsContact C-N 3.26Å; N598-K600 PolarHBondContact O-N 3.29Å; K600-F602 HydrophobicContact CB-CD2 3.67Å; K600-F602 HydrophobicContact CB-CE2 3.46Å; K600-F602 VanDerWaalsContact CB-CE2 3.46Å; K600-F602 HydrophobicContact CB-CZ 4.42Å; K600-F602 HydrophobicContact CG-CE2 4.16Å; K600-R636 PolarHBondContact O-NH2 3.41Å
601	A	86.4	Confident	81.9	Confident	68 Å²	68	58 Å²	58	56%	0.562	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	56.6	-175.9	0	0	0	0	0	112.6	L597 N598 A599 R636	L597-A601 PolarHBondContact O-N 2.73Å; N598-A601 WeakPolarHBondContact O-CA 3.49Å; N598-A601 PolarHBondContact O-N 3.49Å; A599-A601 VanDerWaalsContact C-N 3.25Å; A599-A601 PolarHBondContact O-N 2.88Å; A601-R636 PolarHBondContact O-NH1 3.27Å; A601-R636 PolarHBondContact O-NH2 3.22Å
602	F	88.8	Confident	81.5	Confident	14 Å²	14	56.7 Å²	56.7	6%	0.061	29%	0.293	C	S	.	.			trans	-82.6	162.5	159.2	-67.3	-71.8	0	0	0	110.4	W596 L597 K600 T606 E633 R636 V637 Q640	W596-F602 HydrophobicContact CZ3-CE2 4.1Å; L597-F602 HydrophobicContact CB-CD2 4.45Å; L597-F602 HydrophobicContact CD2-CD2 3.83Å; L597-F602 HydrophobicContact CD2-CE2 4.2Å; L597-F602 WeakPolarHBondContact O-CD2 3.27Å; L597-F602 PolarHBondContact O-N 2.76Å; K600-F602 HydrophobicContact CB-CD2 3.67Å; K600-F602 HydrophobicContact CB-CE2 3.46Å; K600-F602 VanDerWaalsContact CB-CE2 3.46Å; K600-F602 HydrophobicContact CB-CZ 4.42Å; K600-F602 HydrophobicContact CG-CE2 4.16Å; F602-T606 HydrophobicContact CB-CG2 3.66Å; F602-T606 HydrophobicContact CD1-CG2 4.17Å; F602-T606 HydrophobicContact CG-CG2 3.97Å; F602-E633 WeakPolarHBondContact CD1-OE1 3.48Å; F602-R636 HydrophobicContact CE1-CB 4.13Å; F602-R636 HydrophobicContact CE1-CG 3.73Å; F602-R636 HydrophobicContact CZ-CG 4.38Å; F602-V637 HydrophobicContact CD1-CG2 3.71Å; F602-V637 HydrophobicContact CE1-CB 4.21Å; F602-V637 HydrophobicContact CE1-CG2 3.44Å; F602-V637 VanDerWaalsContact CE1-CG2 3.44Å; F602-V637 HydrophobicContact CE2-CG2 4.4Å; F602-V637 HydrophobicContact CG-CG2 4.31Å; F602-V637 HydrophobicContact CZ-CB 4.24Å; F602-V637 HydrophobicContact CZ-CG2 3.84Å; F602-Q640 HydrophobicContact CZ-CB 4.27Å; F602-Q640 HydrophobicContact CZ-CG 4.05Å
603	S	87.3	Confident	80.8	Confident	50 Å²	50	52.6 Å²	52.6	35%	0.35	27%	0.274	S	S	.	.			trans	-65.3	156.7	178.4	65.8	0	0	0	0	112.4	Q605 T606 V607 E633	S603-Q605 PolarHBondContact O-N 3.3Å; S603-T606 WeakPolarHBondContact O-CB 3.28Å; S603-T606 PolarHBondContact O-N 3.15Å; S603-T606 PolarHBondContact OG-N 3.23Å; S603-T606 PolarHBondContact OG-OG1 3.26Å; S603-T606 VanDerWaalsContact OG-OG1 3.1Å; S603-V607 WeakPolarHBondContact O-CG2 3.26Å; S603-V607 PolarHBondContact O-N 3.02Å; S603-E633 WeakPolarHBondContact CB-OE2 3.48Å; S603-E633 PolarHBondContact N-OE2 3.47Å; S603-E633 PolarHBondContact OG-OE2 2.93Å
604	K	79.4	Confident	80.4	Confident	183 Å²	183	54.8 Å²	54.8	80%	0.796	29%	0.288	S	S	*	.	H	α-helix	trans	-54.3	-37	175.7	-71.1	-169.3	176.2	-172.3	0	112.4	V607 E608	K604-V607 PolarHBondContact O-N 2.99Å; K604-E608 VanDerWaalsContact O-CB 3.25Å; K604-E608 WeakPolarHBondContact O-CB 3.4Å; K604-E608 PolarHBondContact O-N 3.05Å
605	Q	74.7	Confident	79.4	Confident	105 Å²	105	52.8 Å²	52.8	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-66.2	-43.8	176.4	-174.3	168.7	51.8	0	0	112.2	S603 V607 E608 C609	S603-Q605 PolarHBondContact O-N 3.3Å; Q605-V607 VanDerWaalsContact C-N 3.32Å; Q605-V607 PolarHBondContact O-N 3.37Å; Q605-E608 PolarHBondContact O-N 2.89Å; Q605-C609 WeakPolarHBondContact O-CB 3.47Å; Q605-C609 PolarHBondContact O-N 2.7Å; Q605-C609 PolarHBondContact O-SG 2.97Å
606	T	81.4	Confident	78.3	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-40.5	173.2	-62.9	0	0	0	0	111.7	F602 S603 L610 C630 E633 V637	F602-T606 HydrophobicContact CB-CG2 3.66Å; F602-T606 HydrophobicContact CD1-CG2 4.17Å; F602-T606 HydrophobicContact CG-CG2 3.97Å; S603-T606 WeakPolarHBondContact O-CB 3.28Å; S603-T606 PolarHBondContact O-N 3.15Å; S603-T606 PolarHBondContact OG-N 3.23Å; S603-T606 PolarHBondContact OG-OG1 3.26Å; S603-T606 VanDerWaalsContact OG-OG1 3.1Å; T606-L610 HydrophobicContact CG2-CD1 4.21Å; T606-L610 WeakPolarHBondContact O-CB 3.35Å; T606-L610 PolarHBondContact O-N 3.06Å; T606-C630 HydrophobicContact CG2-CB 4.19Å; T606-E633 WeakPolarHBondContact CB-OE2 3.46Å; T606-E633 PolarHBondContact OG1-OE2 2.96Å; T606-V637 HydrophobicContact CG2-CG2 3.65Å
607	V	83.7	Confident	76.5	Confident	16 Å²	16	48.5 Å²	48.5	10%	0.097	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-44	175.3	171.9	0	0	0	0	111.5	T594 L597 N598 S603 K604 Q605 G611	T594-V607 HydrophobicContact CG2-CG1 4.08Å; L597-V607 HydrophobicContact CB-CG2 3.87Å; N598-V607 VanDerWaalsContact ND2-CG1 3.31Å; N598-V607 WeakPolarHBondContact ND2-CG1 3.3Å; S603-V607 WeakPolarHBondContact O-CG2 3.26Å; S603-V607 PolarHBondContact O-N 3.02Å; K604-V607 PolarHBondContact O-N 2.99Å; Q605-V607 VanDerWaalsContact C-N 3.32Å; Q605-V607 PolarHBondContact O-N 3.37Å; V607-G611 WeakPolarHBondContact O-CA 3.26Å; V607-G611 PolarHBondContact O-N 3.29Å
608	E	74.2	Confident	75.8	Confident	144 Å²	144	48.5 Å²	48.5	67%	0.673	27%	0.271	S	S	*	.	H	α-helix	trans	-67.5	-44.8	-179.7	-177.4	174.9	-160.1	0	0	112	K604 Q605	K604-E608 VanDerWaalsContact O-CB 3.25Å; K604-E608 WeakPolarHBondContact O-CB 3.4Å; K604-E608 PolarHBondContact O-N 3.05Å; Q605-E608 PolarHBondContact O-N 2.89Å
609	C	74.4	Confident	75.3	Confident	35 Å²	35	45.9 Å²	45.9	24%	0.236	26%	0.256	C	S	.	.	H	α-helix	trans	-75.6	-24.8	-177.6	-61.8	0	0	0	0	114.6	A27 Q605 V629	A27-C609 WeakPolarHBondContact CB-O 3.39Å; Q605-C609 WeakPolarHBondContact O-CB 3.47Å; Q605-C609 PolarHBondContact O-N 2.7Å; Q605-C609 PolarHBondContact O-SG 2.97Å; C609-V629 HydrophobicContact CB-CG1 3.45Å; C609-V629 VanDerWaalsContact CB-CG1 3.45Å
610	L	77.9	Confident	74.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-111.9	-18.6	-179.5	-62.2	-179.1	0	0	0	114.3	A27 L597 T606 I612 L613 L618 L621 L626 V629 C630 V637	A27-L610 HydrophobicContact CB-CD2 4.27Å; L597-L610 HydrophobicContact CD1-CB 3.63Å; L597-L610 HydrophobicContact CD2-CD1 4.4Å; T606-L610 HydrophobicContact CG2-CD1 4.21Å; T606-L610 WeakPolarHBondContact O-CB 3.35Å; T606-L610 PolarHBondContact O-N 3.06Å; L610-I612 PolarHBondContact O-N 3.19Å; L610-L613 HydrophobicContact CB-CD1 4.45Å; L610-L613 HydrophobicContact CD2-CD1 3.77Å; L610-L613 VanDerWaalsContact O-CB 3.29Å; L610-L613 WeakPolarHBondContact O-CB 3.4Å; L610-L613 WeakPolarHBondContact O-CG 3.4Å; L610-L613 PolarHBondContact O-N 3.22Å; L610-L613 VanDerWaalsContact O-N 3.1Å; L610-L618 HydrophobicContact CD1-CD1 4.05Å; L610-L618 HydrophobicContact CD2-CD1 4.46Å; L610-L621 HydrophobicContact CD2-CD1 3.86Å; L610-L626 HydrophobicContact CD1-CD2 3.75Å; L610-L626 HydrophobicContact CD2-CD2 3.93Å; L610-V629 HydrophobicContact CD2-CG1 3.96Å; L610-V629 HydrophobicContact CG-CG1 4.42Å; L610-C630 WeakPolarHBondContact CD1-SG 3.21Å; L610-V637 HydrophobicContact CD1-CG1 3.78Å; L610-V637 HydrophobicContact CD1-CG2 4.39Å
611	G	76.4	Confident	73.4	Confident	5 Å²	5	44.5 Å²	44.5	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-18.5	-179.6	0	0	0	0	0	114.1	P590 T594 V607 L613	P590-G611 CarbonylContact C-O 3.53Å; P590-G611 WeakPolarHBondContact CA-O 3.46Å; P590-G611 VanDerWaalsContact CB-O 3.27Å; P590-G611 WeakPolarHBondContact CB-O 3.04Å; T594-G611 WeakPolarHBondContact OG1-CA 3.5Å; T594-G611 PolarHBondContact OG1-O 3.46Å; V607-G611 WeakPolarHBondContact O-CA 3.26Å; V607-G611 PolarHBondContact O-N 3.29Å; G611-L613 PolarHBondContact O-N 3.1Å
612	I	70.3	Confident	72.4	Confident	81 Å²	81	43.8 Å²	43.8	42%	0.415	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-2.1	172.4	64.8	176.4	0	0	0	113.9	K28 L610	K28-I612 HydrophobicContact CB-CD1 3.88Å; L610-I612 PolarHBondContact O-N 3.19Å
613	L	64.9	Low	71.6	Confident	2 Å²	2	47 Å²	47	1%	0.01	25%	0.249	C	C	.	.	S	Bend	trans	-102.8	145.5	-176.2	-55	177.5	0	0	0	111.6	A27 P590 V593 L610 G611 Q617 L621	A27-L613 HydrophobicContact CB-CD1 3.97Å; A27-L613 HydrophobicContact CB-CD2 4.16Å; A27-L613 HydrophobicContact CB-CG 4.41Å; P590-L613 WeakPolarHBondContact CA-O 3.47Å; V593-L613 WeakPolarHBondContact CB-O 3.24Å; V593-L613 VanDerWaalsContact CG2-O 3.26Å; V593-L613 WeakPolarHBondContact CG2-O 3.47Å; L610-L613 HydrophobicContact CB-CD1 4.45Å; L610-L613 HydrophobicContact CD2-CD1 3.77Å; L610-L613 VanDerWaalsContact O-CB 3.29Å; L610-L613 WeakPolarHBondContact O-CB 3.4Å; L610-L613 WeakPolarHBondContact O-CG 3.4Å; L610-L613 PolarHBondContact O-N 3.22Å; L610-L613 VanDerWaalsContact O-N 3.1Å; G611-L613 PolarHBondContact O-N 3.1Å; L613-Q617 HydrophobicContact CB-CB 3.9Å; L613-Q617 HydrophobicContact CD2-CB 4.3Å; L613-L621 HydrophobicContact CD1-CD1 3.71Å
614	T	69.7	Low	70.5	Confident	46 Å²	46	49.2 Å²	49.2	28%	0.282	25%	0.254	S	S	.	.			trans	-71.1	166.2	165.1	69	0	0	0	0	111.6	S588 P590 A616 Q617 L618	S588-T614 CarbonylContact O-C 3.56Å; S588-T614 WeakPolarHBondContact O-CA 3.32Å; S588-T614 WeakPolarHBondContact O-CB 3.43Å; P590-T614 HydrophobicContact CG-CG2 4.27Å; T614-A616 PolarHBondContact O-N 3.06Å; T614-Q617 WeakPolarHBondContact O-CB 3.18Å; T614-Q617 PolarHBondContact O-N 3.4Å; T614-Q617 VanDerWaalsContact O-N 3.14Å; T614-Q617 WeakPolarHBondContact OG1-CG 3.21Å; T614-Q617 PolarHBondContact OG1-N 3.38Å; T614-Q617 PolarHBondContact OG1-OE1 3.13Å; T614-L618 PolarHBondContact O-N 2.95Å
615	G	60.9	Low	69.5	Low	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.5	-45.3	176.7	0	0	0	0	0	112.5	T585 S588 Q617 L618 F619	T585-G615 WeakPolarHBondContact O-CA 3.5Å; S588-G615 PolarHBondContact O-N 3.28Å; G615-Q617 VanDerWaalsContact C-N 3.33Å; G615-Q617 PolarHBondContact O-N 3.4Å; G615-L618 PolarHBondContact O-N 2.86Å; G615-F619 WeakPolarHBondContact O-CB 3.46Å; G615-F619 WeakPolarHBondContact O-CD2 3.37Å; G615-F619 WeakPolarHBondContact O-CG 3.48Å; G615-F619 PolarHBondContact O-N 2.83Å
616	A	61.6	Low	69.5	Low	52 Å²	52	35.6 Å²	35.6	43%	0.43	19%	0.193	S	C	.	.	H	α-helix	trans	-58.1	-42.5	173.4	0	0	0	0	0	112.6	S586 T614 F619 S620	S586-A616 VanDerWaalsContact O-CB 3.3Å; S586-A616 WeakPolarHBondContact O-CB 3.23Å; S586-A616 PolarHBondContact O-N 3.17Å; T614-A616 PolarHBondContact O-N 3.06Å; A616-F619 PolarHBondContact O-N 3.05Å; A616-S620 WeakPolarHBondContact O-CB 3.32Å; A616-S620 PolarHBondContact O-N 2.77Å; A616-S620 VanDerWaalsContact O-N 3.14Å
617	Q	54.1	Low	69.2	Low	28 Å²	28	39.8 Å²	39.8	13%	0.131	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-48.1	175.8	-73.7	172.2	-35.6	0	0	111.1	Y31 L613 T614 G615 F619 S620	Y31-Q617 HydrophobicContact CD1-CG 4.39Å; Y31-Q617 HydrophobicContact CD2-CB 4.45Å; Y31-Q617 HydrophobicContact CD2-CG 3.8Å; Y31-Q617 HydrophobicContact CE1-CG 4.26Å; Y31-Q617 HydrophobicContact CE2-CG 3.64Å; Y31-Q617 HydrophobicContact CG-CG 4.17Å; L613-Q617 HydrophobicContact CB-CB 3.9Å; L613-Q617 HydrophobicContact CD2-CB 4.3Å; T614-Q617 WeakPolarHBondContact O-CB 3.18Å; T614-Q617 PolarHBondContact O-N 3.4Å; T614-Q617 VanDerWaalsContact O-N 3.14Å; T614-Q617 WeakPolarHBondContact OG1-CG 3.21Å; T614-Q617 PolarHBondContact OG1-N 3.38Å; T614-Q617 PolarHBondContact OG1-OE1 3.13Å; G615-Q617 VanDerWaalsContact C-N 3.33Å; G615-Q617 PolarHBondContact O-N 3.4Å; Q617-F619 PolarHBondContact O-N 3.34Å; Q617-S620 WeakPolarHBondContact O-CB 3.42Å; Q617-S620 PolarHBondContact O-N 2.97Å; Q617-S620 VanDerWaalsContact O-N 3.09Å; Q617-S620 PolarHBondContact O-OG 3.05Å
618	L	72.6	Confident	68.4	Low	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-38.6	178.1	-179.6	58.1	0	0	0	112.8	L584 V593 W596 L610 T614 G615 S620 L621 L626 V641	L584-L618 HydrophobicContact CD2-CD2 3.92Å; V593-L618 HydrophobicContact CG1-CD2 3.74Å; W596-L618 HydrophobicContact CZ3-CD2 4.34Å; L610-L618 HydrophobicContact CD1-CD1 4.05Å; L610-L618 HydrophobicContact CD2-CD1 4.46Å; T614-L618 PolarHBondContact O-N 2.95Å; G615-L618 PolarHBondContact O-N 2.86Å; L618-S620 PolarHBondContact O-N 3.31Å; L618-L621 PolarHBondContact O-N 3.49Å; L618-L626 HydrophobicContact CD1-CD2 4.07Å; L618-V641 HydrophobicContact CD1-CG2 4.13Å; L618-V641 HydrophobicContact CD2-CG2 4.11Å; L618-V641 HydrophobicContact CG-CG2 3.95Å
619	F	75	Confident	68.3	Low	32 Å²	32	35.3 Å²	35.3	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-71.1	-12.3	174.5	-73.8	-56.8	0	0	0	114.2	L584 G615 A616 Q617 V641 Q644 K645 L648	L584-F619 HydrophobicContact CD1-CE2 4.47Å; L584-F619 HydrophobicContact CD2-CE1 4.33Å; L584-F619 HydrophobicContact CD2-CE2 4.38Å; L584-F619 HydrophobicContact CD2-CZ 3.9Å; L584-F619 HydrophobicContact CG-CE2 3.93Å; L584-F619 HydrophobicContact CG-CZ 3.74Å; G615-F619 WeakPolarHBondContact O-CB 3.46Å; G615-F619 WeakPolarHBondContact O-CD2 3.37Å; G615-F619 WeakPolarHBondContact O-CG 3.48Å; G615-F619 PolarHBondContact O-N 2.83Å; A616-F619 PolarHBondContact O-N 3.05Å; Q617-F619 PolarHBondContact O-N 3.34Å; F619-V641 HydrophobicContact CD1-CG1 3.43Å; F619-V641 VanDerWaalsContact CD1-CG1 3.43Å; F619-V641 HydrophobicContact CE1-CG1 3.81Å; F619-V641 WeakPolarHBondContact CE1-O 3.38Å; F619-V641 HydrophobicContact CG-CG1 4.4Å; F619-Q644 HydrophobicContact CE1-CB 4.21Å; F619-Q644 HydrophobicContact CE1-CG 4.47Å; F619-Q644 HydrophobicContact CZ-CB 4.27Å; F619-Q644 HydrophobicContact CZ-CG 4.03Å; F619-K645 HydrophobicContact CD1-CB 3.87Å; F619-K645 HydrophobicContact CD1-CD 4.34Å; F619-K645 HydrophobicContact CD1-CG 4.47Å; F619-K645 HydrophobicContact CE1-CB 3.74Å; F619-L648 HydrophobicContact CE2-CD1 4.34Å; F619-L648 HydrophobicContact CZ-CD1 4.13Å
620	S	67.4	Low	68.6	Low	57 Å²	57	34.1 Å²	34.1	40%	0.399	19%	0.192	S	C	.	.	H	α-helix	trans	-89.2	-14.9	176.9	79.2	0	0	0	0	114.1	A616 Q617 L618	A616-S620 WeakPolarHBondContact O-CB 3.32Å; A616-S620 PolarHBondContact O-N 2.77Å; A616-S620 VanDerWaalsContact O-N 3.14Å; Q617-S620 WeakPolarHBondContact O-CB 3.42Å; Q617-S620 PolarHBondContact O-N 2.97Å; Q617-S620 VanDerWaalsContact O-N 3.09Å; Q617-S620 PolarHBondContact O-OG 3.05Å; L618-S620 PolarHBondContact O-N 3.31Å
621	L	60.3	Low	68.6	Low	14 Å²	14	35.8 Å²	35.8	7%	0.073	21%	0.208	C	C	.	.			trans	-80.1	132.8	-179.9	-62.4	179.8	0	0	0	111.2	L610 L613 L618 E625 L626	L610-L621 HydrophobicContact CD2-CD1 3.86Å; L613-L621 HydrophobicContact CD1-CD1 3.71Å; L618-L621 PolarHBondContact O-N 3.49Å; L621-E625 HydrophobicContact CB-CB 4.5Å; L621-E625 HydrophobicContact CD2-CB 4.48Å; L621-L626 HydrophobicContact CB-CD1 4.35Å; L621-L626 HydrophobicContact CB-CD2 4.01Å; L621-L626 HydrophobicContact CB-CG 3.9Å; L621-L626 HydrophobicContact CD1-CD2 3.72Å; L621-L626 HydrophobicContact CD1-CG 4.46Å
622	N	65.6	Low	68.5	Low	54 Å²	54	41.5 Å²	41.5	29%	0.289	24%	0.238	S	C	.	.			trans	-82.6	174.9	175.9	78.8	34.9	0	0	0	112.3	E624 E625 L626	N622-E624 VanDerWaalsContact C-N 3.27Å; N622-E624 PolarHBondContact O-N 3.27Å; N622-E624 WeakPolarHBondContact OD1-CA 3.46Å; N622-E624 WeakPolarHBondContact OD1-CB 3.31Å; N622-E624 PolarHBondContact OD1-N 2.99Å; N622-E625 PolarHBondContact N-OE2 2.87Å; N622-E625 PolarHBondContact ND2-OE2 3.19Å; N622-E625 PolarHBondContact O-N 3.5Å; N622-E625 WeakPolarHBondContact OD1-CG 3.2Å; N622-E625 PolarHBondContact OD1-N 2.79Å; N622-L626 WeakPolarHBondContact O-CG 3.39Å; N622-L626 PolarHBondContact O-N 3.28Å
623	K	71.7	Confident	69	Low	81 Å²	81	39.5 Å²	39.5	35%	0.352	23%	0.227	S	C	.	.	H	α-helix	trans	-65.9	-29	-175.2	-174.3	-178.6	-171.9	177.1	0	113.2	K627 F638	K623-K627 WeakPolarHBondContact O-CD 3.39Å; K623-K627 VanDerWaalsContact O-CG 3.24Å; K623-K627 WeakPolarHBondContact O-CG 3.48Å; K623-K627 PolarHBondContact O-N 3.48Å; K623-F638 VanDerWaalsContact CA-CD2 3.45Å; K623-F638 HydrophobicContact CB-CB 4.13Å; K623-F638 HydrophobicContact CB-CD1 3.66Å; K623-F638 HydrophobicContact CB-CD2 3.59Å; K623-F638 HydrophobicContact CB-CE1 3.9Å; K623-F638 HydrophobicContact CB-CE2 3.82Å; K623-F638 HydrophobicContact CB-CG 3.49Å; K623-F638 VanDerWaalsContact CB-CG 3.49Å; K623-F638 HydrophobicContact CB-CZ 3.96Å; K623-F638 HydrophobicContact CD-CD1 3.79Å; K623-F638 HydrophobicContact CD-CE1 3.96Å; K623-F638 HydrophobicContact CD-CG 4.4Å; K623-F638 HydrophobicContact CG-CB 4.02Å; K623-F638 HydrophobicContact CG-CD1 3.62Å; K623-F638 HydrophobicContact CG-CD2 4.34Å; K623-F638 HydrophobicContact CG-CE1 4.15Å; K623-F638 HydrophobicContact CG-CG 3.72Å
624	E	63.7	Low	69.5	Low	97 Å²	97	39.4 Å²	39.4	45%	0.453	23%	0.226	S	C	.	.	H	α-helix	trans	-83.5	-37	-178.4	-75.4	51.5	-113.6	0	0	110.7	N622 K627 A628	N622-E624 VanDerWaalsContact C-N 3.27Å; N622-E624 PolarHBondContact O-N 3.27Å; N622-E624 WeakPolarHBondContact OD1-CA 3.46Å; N622-E624 WeakPolarHBondContact OD1-CB 3.31Å; N622-E624 PolarHBondContact OD1-N 2.99Å; E624-K627 WeakPolarHBondContact O-CB 3.34Å; E624-K627 PolarHBondContact O-N 3.43Å; E624-K627 IonicContact OE1-NZ 2.66Å; E624-K627 PolarHBondContact OE1-NZ 3.09Å; E624-A628 PolarHBondContact O-N 3.47Å
625	E	58.2	Low	69.7	Low	2 Å²	2	38 Å²	38	1%	0.009	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-46.6	170.2	-69	175.2	102.1	0	0	112.2	R34 L198 L621 N622 K627 A628 V629	R34-E625 IonicContact CZ-OE1 2.67Å; R34-E625 IonicContact CZ-OE2 3.17Å; R34-E625 IonicContact NE-OE1 2.62Å; R34-E625 IonicContact NH1-OE1 3.61Å; R34-E625 PolarHBondContact NH1-OE1 3.26Å; R34-E625 IonicContact NH1-OE2 3.37Å; R34-E625 PolarHBondContact NH1-OE2 2.95Å; R34-E625 IonicContact NH2-OE1 3.36Å; R34-E625 PolarHBondContact NH2-OE1 3.19Å; R34-E625 IonicContact NH2-OE2 2.92Å; R34-E625 PolarHBondContact NH2-OE2 3Å; L198-E625 HydrophobicContact CD1-CG 3.84Å; L198-E625 HydrophobicContact CD2-CG 3.92Å; L621-E625 HydrophobicContact CB-CB 4.5Å; L621-E625 HydrophobicContact CD2-CB 4.48Å; N622-E625 PolarHBondContact N-OE2 2.87Å; N622-E625 PolarHBondContact ND2-OE2 3.19Å; N622-E625 PolarHBondContact O-N 3.5Å; N622-E625 WeakPolarHBondContact OD1-CG 3.2Å; N622-E625 PolarHBondContact OD1-N 2.79Å; E625-K627 PolarHBondContact O-N 3.05Å; E625-A628 WeakPolarHBondContact O-CB 3.49Å; E625-A628 PolarHBondContact O-N 2.83Å; E625-V629 WeakPolarHBondContact O-CG2 3.26Å; E625-V629 PolarHBondContact O-N 3.42Å
626	L	74.7	Confident	70.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-31.8	177.7	-71.3	169.4	0	0	0	111.6	L610 L618 L621 N622 C630 G634 V637 F638	L610-L626 HydrophobicContact CD1-CD2 3.75Å; L610-L626 HydrophobicContact CD2-CD2 3.93Å; L618-L626 HydrophobicContact CD1-CD2 4.07Å; L621-L626 HydrophobicContact CB-CD1 4.35Å; L621-L626 HydrophobicContact CB-CD2 4.01Å; L621-L626 HydrophobicContact CB-CG 3.9Å; L621-L626 HydrophobicContact CD1-CD2 3.72Å; L621-L626 HydrophobicContact CD1-CG 4.46Å; N622-L626 WeakPolarHBondContact O-CG 3.39Å; N622-L626 PolarHBondContact O-N 3.28Å; L626-C630 VanDerWaalsContact O-CB 3.22Å; L626-C630 WeakPolarHBondContact O-CB 3.42Å; L626-C630 PolarHBondContact O-N 3Å; L626-C630 PolarHBondContact O-SG 3.42Å; L626-G634 VanDerWaalsContact C-CA 3.42Å; L626-G634 WeakPolarHBondContact O-CA 3.41Å; L626-V637 HydrophobicContact CD1-CG1 4.17Å; L626-V637 HydrophobicContact CD2-CG1 3.98Å; L626-F638 HydrophobicContact CD1-CB 3.76Å; L626-F638 HydrophobicContact CD1-CD2 4.08Å; L626-F638 HydrophobicContact CD1-CG 4.44Å
627	K	76.6	Confident	71.8	Confident	89 Å²	89	40.8 Å²	40.8	39%	0.387	22%	0.221	S	C	.	.	H	α-helix	trans	-70.3	-39.4	169.4	-69.6	163.9	-173.7	166	0	112.9	K623 E624 E625 V629 G631	K623-K627 WeakPolarHBondContact O-CD 3.39Å; K623-K627 VanDerWaalsContact O-CG 3.24Å; K623-K627 WeakPolarHBondContact O-CG 3.48Å; K623-K627 PolarHBondContact O-N 3.48Å; E624-K627 WeakPolarHBondContact O-CB 3.34Å; E624-K627 PolarHBondContact O-N 3.43Å; E624-K627 IonicContact OE1-NZ 2.66Å; E624-K627 PolarHBondContact OE1-NZ 3.09Å; E625-K627 PolarHBondContact O-N 3.05Å; K627-V629 VanDerWaalsContact C-N 3.33Å; K627-V629 PolarHBondContact O-N 3.46Å; K627-G631 WeakPolarHBondContact O-CA 3.43Å; K627-G631 PolarHBondContact O-N 3.43Å
628	A	67.1	Low	73.1	Confident	58 Å²	58	42.1 Å²	42.1	48%	0.479	23%	0.226	S	C	.	.	H	α-helix	trans	-62.5	-42.1	177.5	0	0	0	0	0	111.4	E624 E625	E624-A628 PolarHBondContact O-N 3.47Å; E625-A628 WeakPolarHBondContact O-CB 3.49Å; E625-A628 PolarHBondContact O-N 2.83Å
629	V	71.4	Confident	73.5	Confident	9 Å²	9	46.1 Å²	46.1	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-74.4	-52	178.3	179.2	0	0	0	0	111.6	A27 L30 C609 L610 E625 K627	A27-V629 HydrophobicContact CB-CG1 4.39Å; A27-V629 HydrophobicContact CB-CG2 4.2Å; L30-V629 HydrophobicContact CD1-CG2 4.32Å; C609-V629 HydrophobicContact CB-CG1 3.45Å; C609-V629 VanDerWaalsContact CB-CG1 3.45Å; L610-V629 HydrophobicContact CD2-CG1 3.96Å; L610-V629 HydrophobicContact CG-CG1 4.42Å; E625-V629 WeakPolarHBondContact O-CG2 3.26Å; E625-V629 PolarHBondContact O-N 3.42Å; K627-V629 VanDerWaalsContact C-N 3.33Å; K627-V629 PolarHBondContact O-N 3.46Å
630	C	80.4	Confident	73.9	Confident	10 Å²	10	47.3 Å²	47.3	7%	0.068	25%	0.254	C	S	.	.	H	α-helix	trans	-102.8	6	-167.6	-46.8	0	0	0	0	114.5	T606 L610 L626 D632 E633	T606-C630 HydrophobicContact CG2-CB 4.19Å; L610-C630 WeakPolarHBondContact CD1-SG 3.21Å; L626-C630 VanDerWaalsContact O-CB 3.22Å; L626-C630 WeakPolarHBondContact O-CB 3.42Å; L626-C630 PolarHBondContact O-N 3Å; L626-C630 PolarHBondContact O-SG 3.42Å; C630-D632 PolarHBondContact O-N 3.14Å; C630-E633 HydrophobicContact CB-CB 4.33Å; C630-E633 PolarHBondContact O-N 2.98Å
631	G	78.5	Confident	74.5	Confident	34 Å²	34	44.9 Å²	44.9	35%	0.351	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	57.9	-133.2	-176.6	0	0	0	0	0	112.6	K627 E633 G634	K627-G631 WeakPolarHBondContact O-CA 3.43Å; K627-G631 PolarHBondContact O-N 3.43Å; G631-E633 PolarHBondContact O-N 3.01Å; G631-E633 VanDerWaalsContact O-N 3.16Å; G631-G634 PolarHBondContact O-N 3.29Å
632	D	74	Confident	75.2	Confident	126 Å²	126	46.5 Å²	46.5	67%	0.674	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-62.7	-20.3	-178.1	-68.9	-31	0	0	0	113.4	R204 C630	R204-D632 IonicContact CZ-OD1 2.76Å; R204-D632 IonicContact CZ-OD2 2.64Å; R204-D632 IonicContact NH1-OD1 3.63Å; R204-D632 IonicContact NH1-OD2 2.72Å; R204-D632 PolarHBondContact NH1-OD2 3.16Å; R204-D632 IonicContact NH2-OD1 3.79Å; R204-D632 PolarHBondContact NH2-OD1 2.82Å; R204-D632 IonicContact NH2-OD2 3.35Å; R204-D632 PolarHBondContact NH2-OD2 2.98Å; C630-D632 PolarHBondContact O-N 3.14Å
633	E	81	Confident	75.8	Confident	38 Å²	38	48.8 Å²	48.8	18%	0.178	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-77	-19.2	172.7	-71	-149.7	104.4	0	0	113.8	F602 S603 T606 C630 G631 G635 R636 V637	F602-E633 WeakPolarHBondContact CD1-OE1 3.48Å; S603-E633 WeakPolarHBondContact CB-OE2 3.48Å; S603-E633 PolarHBondContact N-OE2 3.47Å; S603-E633 PolarHBondContact OG-OE2 2.93Å; T606-E633 WeakPolarHBondContact CB-OE2 3.46Å; T606-E633 PolarHBondContact OG1-OE2 2.96Å; C630-E633 HydrophobicContact CB-CB 4.33Å; C630-E633 PolarHBondContact O-N 2.98Å; G631-E633 PolarHBondContact O-N 3.01Å; G631-E633 VanDerWaalsContact O-N 3.16Å; E633-G635 VanDerWaalsContact C-N 3.3Å; E633-G635 PolarHBondContact O-N 2.87Å; E633-R636 CarbonylContact O-C 3.58Å; E633-R636 WeakPolarHBondContact O-CA 3.37Å; E633-R636 VanDerWaalsContact O-CB 3.26Å; E633-R636 WeakPolarHBondContact O-CB 3.36Å; E633-R636 PolarHBondContact O-N 2.9Å; E633-R636 IonicContact OE1-CZ 3.61Å; E633-R636 IonicContact OE1-NH1 2.72Å; E633-R636 PolarHBondContact OE1-NH1 3.06Å; E633-V637 PolarHBondContact O-N 2.88Å
634	G	76.1	Confident	76	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-36.1	-170.3	0	0	0	0	0	114.9	L626 G631 R636 V637 F638	L626-G634 VanDerWaalsContact C-CA 3.42Å; L626-G634 WeakPolarHBondContact O-CA 3.41Å; G631-G634 PolarHBondContact O-N 3.29Å; G634-R636 VanDerWaalsContact C-N 3.32Å; G634-R636 PolarHBondContact O-N 3.11Å; G634-V637 PolarHBondContact O-N 3.36Å; G634-F638 WeakPolarHBondContact O-CB 3.33Å; G634-F638 PolarHBondContact O-N 3.2Å
635	G	71.8	Confident	76.5	Confident	18 Å²	18	45.5 Å²	45.5	19%	0.186	25%	0.245	C	C	.	.	H	α-helix	trans	-67.2	-30.9	173.2	0	0	0	0	0	113.5	E633 N639	E633-G635 VanDerWaalsContact C-N 3.3Å; E633-G635 PolarHBondContact O-N 2.87Å; G635-N639 WeakPolarHBondContact O-CB 3.39Å; G635-N639 PolarHBondContact O-N 3.41Å; G635-N639 PolarHBondContact O-ND2 3.11Å; G635-N639 PolarHBondContact O-OD1 3.36Å
636	R	85.3	Confident	76.8	Confident	110 Å²	110	46.7 Å²	46.7	42%	0.415	26%	0.257	S	S	.	.	H	α-helix	trans	-74.2	-39	174.8	-176	-167.8	166.6	-144.4	-5.4	110.8	K600 A601 F602 E633 G634 Q640	K600-R636 PolarHBondContact O-NH2 3.41Å; A601-R636 PolarHBondContact O-NH1 3.27Å; A601-R636 PolarHBondContact O-NH2 3.22Å; F602-R636 HydrophobicContact CE1-CB 4.13Å; F602-R636 HydrophobicContact CE1-CG 3.73Å; F602-R636 HydrophobicContact CZ-CG 4.38Å; E633-R636 CarbonylContact O-C 3.58Å; E633-R636 WeakPolarHBondContact O-CA 3.37Å; E633-R636 VanDerWaalsContact O-CB 3.26Å; E633-R636 WeakPolarHBondContact O-CB 3.36Å; E633-R636 PolarHBondContact O-N 2.9Å; E633-R636 IonicContact OE1-CZ 3.61Å; E633-R636 IonicContact OE1-NH1 2.72Å; E633-R636 PolarHBondContact OE1-NH1 3.06Å; G634-R636 VanDerWaalsContact C-N 3.32Å; G634-R636 PolarHBondContact O-N 3.11Å; R636-Q640 PolarHBondContact O-N 2.89Å
637	V	82.7	Confident	76.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-54.5	172.3	-177.4	0	0	0	0	110.1	F602 T606 L610 L626 E633 G634 N639 Q640 V641	F602-V637 HydrophobicContact CD1-CG2 3.71Å; F602-V637 HydrophobicContact CE1-CB 4.21Å; F602-V637 HydrophobicContact CE1-CG2 3.44Å; F602-V637 VanDerWaalsContact CE1-CG2 3.44Å; F602-V637 HydrophobicContact CE2-CG2 4.4Å; F602-V637 HydrophobicContact CG-CG2 4.31Å; F602-V637 HydrophobicContact CZ-CB 4.24Å; F602-V637 HydrophobicContact CZ-CG2 3.84Å; T606-V637 HydrophobicContact CG2-CG2 3.65Å; L610-V637 HydrophobicContact CD1-CG1 3.78Å; L610-V637 HydrophobicContact CD1-CG2 4.39Å; L626-V637 HydrophobicContact CD1-CG1 4.17Å; L626-V637 HydrophobicContact CD2-CG1 3.98Å; E633-V637 PolarHBondContact O-N 2.88Å; G634-V637 PolarHBondContact O-N 3.36Å; V637-N639 VanDerWaalsContact C-N 3.31Å; V637-N639 PolarHBondContact O-N 3.41Å; V637-Q640 PolarHBondContact O-N 3.25Å; V637-V641 HydrophobicContact CG1-CG2 3.95Å; V637-V641 WeakPolarHBondContact O-CG2 3.38Å; V637-V641 PolarHBondContact O-N 2.94Å
638	F	81	Confident	75.9	Confident	55 Å²	55	49.7 Å²	49.7	24%	0.241	28%	0.275	C	S	.	.	H	α-helix	trans	-52.3	-48.9	179.5	179.1	-98.6	0	0	0	111.7	K623 L626 G634 Q640 V641 S642	K623-F638 VanDerWaalsContact CA-CD2 3.45Å; K623-F638 HydrophobicContact CB-CB 4.13Å; K623-F638 HydrophobicContact CB-CD1 3.66Å; K623-F638 HydrophobicContact CB-CD2 3.59Å; K623-F638 HydrophobicContact CB-CE1 3.9Å; K623-F638 HydrophobicContact CB-CE2 3.82Å; K623-F638 HydrophobicContact CB-CG 3.49Å; K623-F638 VanDerWaalsContact CB-CG 3.49Å; K623-F638 HydrophobicContact CB-CZ 3.96Å; K623-F638 HydrophobicContact CD-CD1 3.79Å; K623-F638 HydrophobicContact CD-CE1 3.96Å; K623-F638 HydrophobicContact CD-CG 4.4Å; K623-F638 HydrophobicContact CG-CB 4.02Å; K623-F638 HydrophobicContact CG-CD1 3.62Å; K623-F638 HydrophobicContact CG-CD2 4.34Å; K623-F638 HydrophobicContact CG-CE1 4.15Å; K623-F638 HydrophobicContact CG-CG 3.72Å; L626-F638 HydrophobicContact CD1-CB 3.76Å; L626-F638 HydrophobicContact CD1-CD2 4.08Å; L626-F638 HydrophobicContact CD1-CG 4.44Å; G634-F638 WeakPolarHBondContact O-CB 3.33Å; G634-F638 PolarHBondContact O-N 3.2Å; F638-Q640 VanDerWaalsContact C-N 3.34Å; F638-Q640 PolarHBondContact O-N 3.34Å; F638-V641 PolarHBondContact O-N 3.21Å; F638-S642 WeakPolarHBondContact CE1-OG 3.26Å; F638-S642 WeakPolarHBondContact CZ-OG 3.27Å; F638-S642 WeakPolarHBondContact O-CB 3.29Å; F638-S642 PolarHBondContact O-N 3.12Å; F638-S642 PolarHBondContact O-OG 2.95Å; F638-S642 VanDerWaalsContact O-OG 3.05Å
639	N	82.1	Confident	75.5	Confident	84 Å²	84	52.1 Å²	52.1	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-60.7	-39.4	179.1	-69.3	-6.5	0	0	0	112.7	G635 V637 L643	G635-N639 WeakPolarHBondContact O-CB 3.39Å; G635-N639 PolarHBondContact O-N 3.41Å; G635-N639 PolarHBondContact O-ND2 3.11Å; G635-N639 PolarHBondContact O-OD1 3.36Å; V637-N639 VanDerWaalsContact C-N 3.31Å; V637-N639 PolarHBondContact O-N 3.41Å; N639-L643 WeakPolarHBondContact O-CB 3.49Å; N639-L643 WeakPolarHBondContact O-CD1 3.33Å; N639-L643 WeakPolarHBondContact O-CG 3.46Å; N639-L643 PolarHBondContact O-N 3.32Å
640	Q	83.1	Confident	74.8	Confident	58 Å²	58	58.8 Å²	58.8	27%	0.271	30%	0.304	S	S	.	.	H	α-helix	trans	-70	-39	175.6	-73.3	-65.6	-59.8	0	0	112.5	W596 F602 R636 V637 F638 L643 Q644	W596-Q640 HydrophobicContact CH2-CB 3.64Å; W596-Q640 HydrophobicContact CZ2-CB 4.02Å; F602-Q640 HydrophobicContact CZ-CB 4.27Å; F602-Q640 HydrophobicContact CZ-CG 4.05Å; R636-Q640 PolarHBondContact O-N 2.89Å; V637-Q640 PolarHBondContact O-N 3.25Å; F638-Q640 VanDerWaalsContact C-N 3.34Å; F638-Q640 PolarHBondContact O-N 3.34Å; Q640-L643 PolarHBondContact O-N 2.93Å; Q640-Q644 WeakPolarHBondContact O-CB 3.49Å; Q640-Q644 PolarHBondContact O-N 3.02Å
641	V	80.4	Confident	73.6	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.03	33%	0.334	C	S	.	.	H	α-helix	trans	-65.6	-46.8	176.7	172.6	0	0	0	0	110.4	W596 L618 F619 V637 F638 L643 Q644 K645	W596-V641 HydrophobicContact CH2-CG2 3.75Å; W596-V641 HydrophobicContact CZ3-CG2 4.07Å; L618-V641 HydrophobicContact CD1-CG2 4.13Å; L618-V641 HydrophobicContact CD2-CG2 4.11Å; L618-V641 HydrophobicContact CG-CG2 3.95Å; F619-V641 HydrophobicContact CD1-CG1 3.43Å; F619-V641 VanDerWaalsContact CD1-CG1 3.43Å; F619-V641 HydrophobicContact CE1-CG1 3.81Å; F619-V641 WeakPolarHBondContact CE1-O 3.38Å; F619-V641 HydrophobicContact CG-CG1 4.4Å; V637-V641 HydrophobicContact CG1-CG2 3.95Å; V637-V641 WeakPolarHBondContact O-CG2 3.38Å; V637-V641 PolarHBondContact O-N 2.94Å; F638-V641 PolarHBondContact O-N 3.21Å; V641-L643 PolarHBondContact O-N 3.03Å; V641-Q644 PolarHBondContact O-N 3.37Å; V641-K645 WeakPolarHBondContact O-CB 3.37Å; V641-K645 PolarHBondContact O-N 3.05Å
642	S	74.8	Confident	72.2	Confident	49 Å²	49	72 Å²	72	34%	0.343	35%	0.35	S	S	.	.	H	α-helix	trans	-62.7	-38.8	175.3	-56.3	0	0	0	0	113	F638 K645 G646	F638-S642 WeakPolarHBondContact CE1-OG 3.26Å; F638-S642 WeakPolarHBondContact CZ-OG 3.27Å; F638-S642 WeakPolarHBondContact O-CB 3.29Å; F638-S642 PolarHBondContact O-N 3.12Å; F638-S642 PolarHBondContact O-OG 2.95Å; F638-S642 VanDerWaalsContact O-OG 3.05Å; S642-K645 PolarHBondContact O-N 3.48Å; S642-G646 PolarHBondContact O-N 3.22Å
643	L	77.1	Confident	70.8	Confident	101 Å²	101	67.5 Å²	67.5	53%	0.529	33%	0.333	S	S	.	.	H	α-helix	trans	-64.4	-41	174.7	-77.3	168.4	0	0	0	112	N639 Q640 V641 Q647	N639-L643 WeakPolarHBondContact O-CB 3.49Å; N639-L643 WeakPolarHBondContact O-CD1 3.33Å; N639-L643 WeakPolarHBondContact O-CG 3.46Å; N639-L643 PolarHBondContact O-N 3.32Å; Q640-L643 PolarHBondContact O-N 2.93Å; V641-L643 PolarHBondContact O-N 3.03Å; L643-Q647 VanDerWaalsContact O-CG 3.28Å; L643-Q647 WeakPolarHBondContact O-CG 3.49Å; L643-Q647 PolarHBondContact O-N 2.66Å; L643-Q647 VanDerWaalsContact O-N 3.11Å
644	Q	76	Confident	69	Low	19 Å²	19	70.3 Å²	70.3	9%	0.089	35%	0.349	C	S	.	.	H	α-helix	trans	-65.6	-43.4	176	-166.8	81.7	49.1	0	0	111.3	L584 W596 F619 Q640 V641 Q647 L648	L584-Q644 HydrophobicContact CB-CG 3.98Å; L584-Q644 HydrophobicContact CD2-CG 4.48Å; L584-Q644 HydrophobicContact CG-CG 4.41Å; L584-Q644 VanDerWaalsContact O-CG 3.24Å; L584-Q644 WeakPolarHBondContact O-CG 3.29Å; W596-Q644 HydrophobicContact CZ2-CB 4.49Å; W596-Q644 VanDerWaalsContact NE1-OE1 3.12Å; F619-Q644 HydrophobicContact CE1-CB 4.21Å; F619-Q644 HydrophobicContact CE1-CG 4.47Å; F619-Q644 HydrophobicContact CZ-CB 4.27Å; F619-Q644 HydrophobicContact CZ-CG 4.03Å; Q640-Q644 WeakPolarHBondContact O-CB 3.49Å; Q640-Q644 PolarHBondContact O-N 3.02Å; V641-Q644 PolarHBondContact O-N 3.37Å; Q644-Q647 PolarHBondContact O-N 3.25Å; Q644-L648 WeakPolarHBondContact O-CG 2.92Å; Q644-L648 PolarHBondContact O-N 3.47Å; Q644-L648 VanDerWaalsContact O-N 3.15Å
645	K	73.4	Confident	67.8	Low	91 Å²	91	73.8 Å²	73.8	40%	0.396	37%	0.373	S	S	.	.	H	α-helix	trans	-61.2	-50.1	176.7	-179	168.8	171.9	173.3	0	111.9	F619 V641 S642 Q647 L648 E649	F619-K645 HydrophobicContact CD1-CB 3.87Å; F619-K645 HydrophobicContact CD1-CD 4.34Å; F619-K645 HydrophobicContact CD1-CG 4.47Å; F619-K645 HydrophobicContact CE1-CB 3.74Å; V641-K645 WeakPolarHBondContact O-CB 3.37Å; V641-K645 PolarHBondContact O-N 3.05Å; S642-K645 PolarHBondContact O-N 3.48Å; K645-Q647 PolarHBondContact O-N 3.44Å; K645-L648 WeakPolarHBondContact O-CB 3.4Å; K645-L648 PolarHBondContact O-N 3.06Å; K645-E649 WeakPolarHBondContact CE-OE1 3.06Å; K645-E649 HydrophobicContact CG-CG 4.41Å; K645-E649 WeakPolarHBondContact CG-OE1 3.04Å; K645-E649 IonicContact NZ-OE1 2.87Å; K645-E649 WeakPolarHBondContact O-CG 3.18Å; K645-E649 PolarHBondContact O-N 3.11Å
646	G	65.3	Low	66.6	Low	26 Å²	26	78.8 Å²	78.8	27%	0.268	39%	0.392	S	S	.	.	H	α-helix	trans	-67.7	-16	177.9	0	0	0	0	0	114.6	S642 K650	S642-G646 PolarHBondContact O-N 3.22Å; G646-K650 WeakPolarHBondContact O-CG 3.19Å; G646-K650 PolarHBondContact O-N 3.02Å
647	Q	68.4	Low	64.4	Low	98 Å²	98	78.2 Å²	78.2	46%	0.458	40%	0.397	S	S	.	.	H	α-helix	trans	-76.9	-44.7	167.1	-77	171.5	-1.7	0	0	111.3	L643 Q644 K645 K650 Y651	L643-Q647 VanDerWaalsContact O-CG 3.28Å; L643-Q647 WeakPolarHBondContact O-CG 3.49Å; L643-Q647 PolarHBondContact O-N 2.66Å; L643-Q647 VanDerWaalsContact O-N 3.11Å; Q644-Q647 PolarHBondContact O-N 3.25Å; K645-Q647 PolarHBondContact O-N 3.44Å; Q647-K650 PolarHBondContact O-N 3.26Å; Q647-Y651 WeakPolarHBondContact O-CD2 3.49Å; Q647-Y651 PolarHBondContact O-N 3.01Å
648	L	64.1	Low	62.8	Low	55 Å²	55	84.8 Å²	84.8	29%	0.288	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-46.1	176.6	-65.3	166.4	0	0	0	111.7	T585 F619 Q644 K645 K650 Y651 Q652	T585-L648 HydrophobicContact CG2-CD2 4.14Å; F619-L648 HydrophobicContact CE2-CD1 4.34Å; F619-L648 HydrophobicContact CZ-CD1 4.13Å; Q644-L648 WeakPolarHBondContact O-CG 2.92Å; Q644-L648 PolarHBondContact O-N 3.47Å; Q644-L648 VanDerWaalsContact O-N 3.15Å; K645-L648 WeakPolarHBondContact O-CB 3.4Å; K645-L648 PolarHBondContact O-N 3.06Å; L648-K650 PolarHBondContact O-N 3.47Å; L648-Y651 PolarHBondContact O-N 3.47Å; L648-Q652 WeakPolarHBondContact O-CB 3.47Å; L648-Q652 PolarHBondContact O-N 2.96Å
649	E	58	Low	61.5	Low	109 Å²	109	86.9 Å²	86.9	51%	0.509	44%	0.438	S	S	.	.	H	α-helix	trans	-60.1	-33.2	177.8	-70.7	167.6	165.9	0	0	112	K645 G653	K645-E649 WeakPolarHBondContact CE-OE1 3.06Å; K645-E649 HydrophobicContact CG-CG 4.41Å; K645-E649 WeakPolarHBondContact CG-OE1 3.04Å; K645-E649 IonicContact NZ-OE1 2.87Å; K645-E649 WeakPolarHBondContact O-CG 3.18Å; K645-E649 PolarHBondContact O-N 3.11Å; E649-G653 PolarHBondContact O-N 3.17Å
650	K	56.9	Low	60.3	Low	149 Å²	149	86.1 Å²	86.1	65%	0.648	43%	0.433	S	S	*	.	H	α-helix	trans	-70.8	-51.8	172.1	-79.4	-174.3	174.8	-164	0	112.9	G646 Q647 L648 Q652 G653 D654	G646-K650 WeakPolarHBondContact O-CG 3.19Å; G646-K650 PolarHBondContact O-N 3.02Å; Q647-K650 PolarHBondContact O-N 3.26Å; L648-K650 PolarHBondContact O-N 3.47Å; K650-Q652 PolarHBondContact O-N 3.31Å; K650-G653 PolarHBondContact O-N 2.88Å; K650-D654 WeakPolarHBondContact O-CB 3.25Å; K650-D654 VanDerWaalsContact O-CG 3.29Å; K650-D654 PolarHBondContact O-N 2.82Å
651	Y	55.8	Low	58.7	Low	174 Å²	174	89.2 Å²	89.2	68%	0.682	45%	0.449	S	S	*	.	H	α-helix	trans	-59.6	-34.6	178.5	-73.7	-63	0	0	0	112.5	Q647 L648 S655	Q647-Y651 WeakPolarHBondContact O-CD2 3.49Å; Q647-Y651 PolarHBondContact O-N 3.01Å; L648-Y651 PolarHBondContact O-N 3.47Å; Y651-S655 WeakPolarHBondContact O-CB 3.33Å; Y651-S655 PolarHBondContact O-N 2.92Å; Y651-S655 VanDerWaalsContact O-N 3.13Å
652	Q	49.2	Very low	57.8	Low	147 Å²	147	92.6 Å²	92.6	69%	0.687	47%	0.47	S	S	*	.	H	α-helix	trans	-71.5	-44.6	176.2	-165.9	164.5	3.9	0	0	111.7	L648 K650 S655 E656	L648-Q652 WeakPolarHBondContact O-CB 3.47Å; L648-Q652 PolarHBondContact O-N 2.96Å; K650-Q652 PolarHBondContact O-N 3.31Å; Q652-S655 PolarHBondContact O-N 3.06Å; Q652-E656 PolarHBondContact O-N 2.66Å
653	G	45.5	Very low	57.4	Low	32 Å²	32	97.6 Å²	97.6	33%	0.33	48%	0.481	S	S	.	.	H	α-helix	trans	-66.4	-39.2	175.3	0	0	0	0	0	113.9	E649 K650 S655 E656 L657	E649-G653 PolarHBondContact O-N 3.17Å; K650-G653 PolarHBondContact O-N 2.88Å; G653-S655 VanDerWaalsContact C-N 3.33Å; G653-E656 PolarHBondContact O-N 3.38Å; G653-L657 VanDerWaalsContact O-CB 3.27Å; G653-L657 WeakPolarHBondContact O-CB 3.15Å; G653-L657 PolarHBondContact O-N 3.02Å
654	D	43	Very low	56.5	Low	97 Å²	97	101.3 Å²	101.3	52%	0.519	49%	0.488	S	S	.	.	H	α-helix	trans	-65.2	-37.7	175.6	-71.1	-32.1	0	0	0	111	K650 Q658	K650-D654 WeakPolarHBondContact O-CB 3.25Å; K650-D654 VanDerWaalsContact O-CG 3.29Å; K650-D654 PolarHBondContact O-N 2.82Å; D654-Q658 WeakPolarHBondContact O-CB 3.48Å; D654-Q658 WeakPolarHBondContact O-CG 3.24Å; D654-Q658 PolarHBondContact O-N 3.41Å
655	S	49.4	Very low	55.5	Low	72 Å²	72	107 Å²	107	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-67.6	-43.8	174.2	-171.4	0	0	0	0	112.5	Y651 Q652 G653 Q658 E659	Y651-S655 WeakPolarHBondContact O-CB 3.33Å; Y651-S655 PolarHBondContact O-N 2.92Å; Y651-S655 VanDerWaalsContact O-N 3.13Å; Q652-S655 PolarHBondContact O-N 3.06Å; G653-S655 VanDerWaalsContact C-N 3.33Å; S655-Q658 PolarHBondContact O-N 3.35Å; S655-E659 PolarHBondContact O-N 3.34Å
656	E	46.6	Very low	55	Low	123 Å²	123	108.1 Å²	108.1	58%	0.575	52%	0.519	S	S	*	.	H	α-helix	trans	-64.3	-41.3	175.7	-175	177.4	-172.8	0	0	111	Q652 G653 Q658 E659 I660	Q652-E656 PolarHBondContact O-N 2.66Å; G653-E656 PolarHBondContact O-N 3.38Å; E656-Q658 PolarHBondContact O-N 2.8Å; E656-E659 PolarHBondContact O-N 3.41Å; E656-I660 HydrophobicContact CG-CD1 4.02Å; E656-I660 VanDerWaalsContact O-CG1 3.29Å; E656-I660 WeakPolarHBondContact O-CG1 3.43Å; E656-I660 PolarHBondContact O-N 3.5Å
657	L	39.4	Very low	54.7	Low	98 Å²	98	114.1 Å²	114.1	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-65.7	-38	176.2	-157.4	104	0	0	0	111.7	G653 I660 M661	G653-L657 VanDerWaalsContact O-CB 3.27Å; G653-L657 WeakPolarHBondContact O-CB 3.15Å; G653-L657 PolarHBondContact O-N 3.02Å; L657-I660 PolarHBondContact O-N 2.95Å; L657-M661 HydrophobicContact CD2-CE 3.76Å; L657-M661 WeakPolarHBondContact O-CB 3.39Å; L657-M661 WeakPolarHBondContact O-CG 3.38Å; L657-M661 PolarHBondContact O-N 3.36Å
658	Q	48.7	Very low	54.2	Low	138 Å²	138	114 Å²	114	65%	0.645	54%	0.543	S	S	*	.	H	α-helix	trans	-62.6	-43.7	171.3	-83	-173.4	-25	0	0	112	D654 S655 E656 I660 M661 T662	D654-Q658 WeakPolarHBondContact O-CB 3.48Å; D654-Q658 WeakPolarHBondContact O-CG 3.24Å; D654-Q658 PolarHBondContact O-N 3.41Å; S655-Q658 PolarHBondContact O-N 3.35Å; E656-Q658 PolarHBondContact O-N 2.8Å; Q658-I660 VanDerWaalsContact C-N 3.35Å; Q658-I660 PolarHBondContact O-N 3.2Å; Q658-M661 WeakPolarHBondContact O-CB 3.44Å; Q658-M661 PolarHBondContact O-N 3.05Å; Q658-T662 PolarHBondContact O-N 3.05Å; Q658-T662 PolarHBondContact O-OG1 3.48Å
659	E	54.2	Low	53.9	Low	99 Å²	99	115.7 Å²	115.7	46%	0.463	55%	0.553	S	S	.	*	H	α-helix	trans	-64.6	-40.6	177.6	-155.3	-168.3	152.4	0	0	111.7	S655 E656 M661 T662 R663	S655-E659 PolarHBondContact O-N 3.34Å; E656-E659 PolarHBondContact O-N 3.41Å; E659-M661 PolarHBondContact O-N 2.83Å; E659-T662 PolarHBondContact O-N 2.62Å; E659-R663 WeakPolarHBondContact O-CG 3.35Å; E659-R663 PolarHBondContact O-N 3.03Å; E659-R663 IonicContact OE1-CZ 3.18Å; E659-R663 IonicContact OE1-NE 2.99Å; E659-R663 PolarHBondContact OE1-NE 3.46Å; E659-R663 IonicContact OE1-NH2 2.63Å; E659-R663 PolarHBondContact OE1-NH2 2.97Å
660	I	57.3	Low	53.6	Low	68 Å²	68	114 Å²	114	35%	0.349	55%	0.553	S	S	.	*	H	α-helix	trans	-63.9	-38.1	173.9	-68.4	165.6	0	0	0	111.7	E656 L657 Q658 R664	E656-I660 HydrophobicContact CG-CD1 4.02Å; E656-I660 VanDerWaalsContact O-CG1 3.29Å; E656-I660 WeakPolarHBondContact O-CG1 3.43Å; E656-I660 PolarHBondContact O-N 3.5Å; L657-I660 PolarHBondContact O-N 2.95Å; Q658-I660 VanDerWaalsContact C-N 3.35Å; Q658-I660 PolarHBondContact O-N 3.2Å; I660-R664 WeakPolarHBondContact O-CB 3.26Å; I660-R664 VanDerWaalsContact O-CG 3.29Å; I660-R664 WeakPolarHBondContact O-CG 3.22Å; I660-R664 PolarHBondContact O-N 3.06Å; I660-R664 VanDerWaalsContact O-N 3.07Å
661	M	48.9	Very low	53.3	Low	123 Å²	123	112.3 Å²	112.3	61%	0.606	56%	0.556	S	S	*	*	H	α-helix	trans	-63.7	-46.5	173.9	-68.3	-102.9	-163.1	0	0	111.1	L657 Q658 E659 R664 K665	L657-M661 HydrophobicContact CD2-CE 3.76Å; L657-M661 WeakPolarHBondContact O-CB 3.39Å; L657-M661 WeakPolarHBondContact O-CG 3.38Å; L657-M661 PolarHBondContact O-N 3.36Å; Q658-M661 WeakPolarHBondContact O-CB 3.44Å; Q658-M661 PolarHBondContact O-N 3.05Å; E659-M661 PolarHBondContact O-N 2.83Å; M661-R664 PolarHBondContact O-N 2.98Å; M661-K665 WeakPolarHBondContact O-CB 3.44Å; M661-K665 PolarHBondContact O-N 3.4Å
662	T	62.6	Low	52.9	Low	77 Å²	77	108.7 Å²	108.7	47%	0.472	56%	0.556	S	S	.	*	H	α-helix	trans	-62.6	-51.7	179.4	-57.6	0	0	0	0	111.2	Q658 E659 R664 K665 E666	Q658-T662 PolarHBondContact O-N 3.05Å; Q658-T662 PolarHBondContact O-OG1 3.48Å; E659-T662 PolarHBondContact O-N 2.62Å; T662-R664 PolarHBondContact O-N 2.71Å; T662-K665 WeakPolarHBondContact O-CB 3.46Å; T662-K665 PolarHBondContact O-N 3.47Å; T662-E666 WeakPolarHBondContact O-CG 3.47Å; T662-E666 PolarHBondContact O-N 2.77Å
663	R	66.3	Low	52.9	Low	154 Å²	154	107.1 Å²	107.1	58%	0.581	56%	0.556	S	S	*	*	H	α-helix	trans	-60.9	-27.9	176.6	-67.8	-178	-173	-158.6	6.7	113.6	E659 E666 K667	E659-R663 WeakPolarHBondContact O-CG 3.35Å; E659-R663 PolarHBondContact O-N 3.03Å; E659-R663 IonicContact OE1-CZ 3.18Å; E659-R663 IonicContact OE1-NE 2.99Å; E659-R663 PolarHBondContact OE1-NE 3.46Å; E659-R663 IonicContact OE1-NH2 2.63Å; E659-R663 PolarHBondContact OE1-NH2 2.97Å; R663-E666 WeakPolarHBondContact CA-OE2 3.47Å; R663-K667 WeakPolarHBondContact O-CG 3.43Å; R663-K667 PolarHBondContact O-N 2.81Å
664	R	57.4	Low	52.6	Low	179 Å²	179	116.6 Å²	116.6	68%	0.675	60%	0.599	S	S	*	*	H	α-helix	trans	-76.2	-37.5	172.4	-80.8	178	174.1	164.7	0.8	112.3	I660 M661 T662 K667 V668	I660-R664 WeakPolarHBondContact O-CB 3.26Å; I660-R664 VanDerWaalsContact O-CG 3.29Å; I660-R664 WeakPolarHBondContact O-CG 3.22Å; I660-R664 PolarHBondContact O-N 3.06Å; I660-R664 VanDerWaalsContact O-N 3.07Å; M661-R664 PolarHBondContact O-N 2.98Å; T662-R664 PolarHBondContact O-N 2.71Å; R664-K667 PolarHBondContact O-N 3.3Å; R664-V668 WeakPolarHBondContact O-CG2 3.26Å; R664-V668 PolarHBondContact O-N 3.36Å
665	K	54.6	Low	53.1	Low	139 Å²	139	117.6 Å²	117.6	60%	0.604	60%	0.603	S	S	*	*	H	α-helix	trans	-65.8	-48.8	176.5	-166.2	178.9	178.6	-172.9	0	111.1	M661 T662 K667 V668 D669	M661-K665 WeakPolarHBondContact O-CB 3.44Å; M661-K665 PolarHBondContact O-N 3.4Å; T662-K665 WeakPolarHBondContact O-CB 3.46Å; T662-K665 PolarHBondContact O-N 3.47Å; K665-K667 VanDerWaalsContact C-N 3.25Å; K665-K667 PolarHBondContact O-N 2.84Å; K665-V668 PolarHBondContact O-N 3.11Å; K665-D669 VanDerWaalsContact O-CG 3.31Å; K665-D669 PolarHBondContact O-N 3.03Å
666	E	63.3	Low	53.3	Low	114 Å²	114	119.9 Å²	119.9	53%	0.533	61%	0.609	S	S	.	*	H	α-helix	trans	-52.2	-43.3	172	-69.3	166.9	168.9	0	0	111.9	T662 R663 S670	T662-E666 WeakPolarHBondContact O-CG 3.47Å; T662-E666 PolarHBondContact O-N 2.77Å; R663-E666 WeakPolarHBondContact CA-OE2 3.47Å; E666-S670 WeakPolarHBondContact O-CB 3.27Å; E666-S670 PolarHBondContact O-N 3.23Å; E666-S670 PolarHBondContact O-OG 3.01Å
667	K	59.1	Low	53.6	Low	152 Å²	152	119.8 Å²	119.8	66%	0.661	61%	0.61	S	S	*	*	H	α-helix	trans	-65	-41.7	175.3	-85.6	-169.8	170.3	-169.6	0	113.6	R663 R664 K665 S670 T671	R663-K667 WeakPolarHBondContact O-CG 3.43Å; R663-K667 PolarHBondContact O-N 2.81Å; R664-K667 PolarHBondContact O-N 3.3Å; K665-K667 VanDerWaalsContact C-N 3.25Å; K665-K667 PolarHBondContact O-N 2.84Å; K667-S670 WeakPolarHBondContact CA-OG 3.45Å; K667-S670 PolarHBondContact O-OG 3.07Å; K667-T671 WeakPolarHBondContact O-CG2 3.44Å; K667-T671 PolarHBondContact O-N 2.61Å; K667-T671 PolarHBondContact O-OG1 3.26Å
668	V	58.7	Low	54.5	Low	94 Å²	94	121.1 Å²	121.1	57%	0.57	62%	0.616	S	S	*	*	H	α-helix	trans	-65.7	-46.8	177	169.8	0	0	0	0	110.8	R664 K665 S670 T671 S672	R664-V668 WeakPolarHBondContact O-CG2 3.26Å; R664-V668 PolarHBondContact O-N 3.36Å; K665-V668 PolarHBondContact O-N 3.11Å; V668-S670 VanDerWaalsContact C-N 3.3Å; V668-S670 PolarHBondContact O-N 3.1Å; V668-T671 WeakPolarHBondContact CA-OG1 3.36Å; V668-T671 PolarHBondContact O-N 3.28Å; V668-T671 PolarHBondContact O-OG1 3.43Å; V668-S672 PolarHBondContact O-N 3.39Å
669	D	56.5	Low	54.8	Low	92 Å²	92	120 Å²	120	49%	0.492	61%	0.614	S	S	.	*	H	α-helix	trans	-61	-40.1	179.1	-64.2	-23	0	0	0	110.6	K665 T671 S672	K665-D669 VanDerWaalsContact O-CG 3.31Å; K665-D669 PolarHBondContact O-N 3.03Å; D669-T671 VanDerWaalsContact C-N 3.25Å; D669-T671 PolarHBondContact O-N 2.59Å; D669-S672 PolarHBondContact O-N 2.77Å
670	S	53.1	Low	54.9	Low	73 Å²	73	121.4 Å²	121.4	51%	0.51	62%	0.624	S	S	.	*	H	α-helix	trans	-68.6	-14.3	174.1	71.2	0	0	0	0	115.6	E666 K667 V668	E666-S670 WeakPolarHBondContact O-CB 3.27Å; E666-S670 PolarHBondContact O-N 3.23Å; E666-S670 PolarHBondContact O-OG 3.01Å; K667-S670 WeakPolarHBondContact CA-OG 3.45Å; K667-S670 PolarHBondContact O-OG 3.07Å; V668-S670 VanDerWaalsContact C-N 3.3Å; V668-S670 PolarHBondContact O-N 3.1Å
671	T	49.4	Very low	54.7	Low	114 Å²	114	125.2 Å²	125.2	70%	0.699	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	9.7	174.7	52.3	0	0	0	0	113.3	K667 V668 D669	K667-T671 WeakPolarHBondContact O-CG2 3.44Å; K667-T671 PolarHBondContact O-N 2.61Å; K667-T671 PolarHBondContact O-OG1 3.26Å; V668-T671 WeakPolarHBondContact CA-OG1 3.36Å; V668-T671 PolarHBondContact O-N 3.28Å; V668-T671 PolarHBondContact O-OG1 3.43Å; D669-T671 VanDerWaalsContact C-N 3.25Å; D669-T671 PolarHBondContact O-N 2.59Å
672	S	47.1	Very low	55.1	Low	97 Å²	97	125.4 Å²	125.4	68%	0.678	65%	0.647	S	S	*	*	S	Bend	trans	-110.4	13	-178.4	-170.5	0	0	0	0	113.5	V668 D669	V668-S672 PolarHBondContact O-N 3.39Å; D669-S672 PolarHBondContact O-N 2.77Å
673	T	49	Very low	54.5	Low	115 Å²	115	129.4 Å²	129.4	71%	0.706	66%	0.662	S	S	*	*			trans	-133.2	17.5	-170.3	51.4	0	0	0	0	115.1
674	D	39.8	Very low	53.5	Low	230 Å²	230	127.2 Å²	127.2	100%	1.23	67%	0.669	S	S	*	*			trans	-120.4	0	165	-81.2	-42.2	0	0	0	109.3

Retrieved 674 of 674 residues in 175.7 ms (Link to these results)

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