A0A077ZJ31_TRITR Loading...

Probable arginine--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A077ZJ31, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 663 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	48	Very low	48.6	Very low	210 Å²	210	129.7 Å²	129.7	100%	1.034	64%	0.635	S	S	*	*				0	-41	0	-85.1	-177.5	-160.8	0	0	113	D3 R4 I5	M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 3.25Å; M1-R4 PolarHBondContact O-N 2.81Å; M1-R4 VanDerWaalsContact O-N 3.17Å; M1-I5 PolarHBondContact O-N 3.19Å
2	G	45.9	Very low	48.6	Very low	52 Å²	52	125.8 Å²	125.8	54%	0.536	64%	0.639	S	S	.	*	H	α-helix	trans	-51.2	-44	-179.4	0	0	0	0	0	114.6	R4 I5 T6	G2-R4 VanDerWaalsContact C-N 3.3Å; G2-R4 PolarHBondContact O-N 2.97Å; G2-I5 PolarHBondContact O-N 3.38Å; G2-T6 PolarHBondContact O-N 2.9Å; G2-T6 VanDerWaalsContact O-N 3.1Å; G2-T6 PolarHBondContact O-OG1 3.04Å
3	D	50.7	Low	48.1	Very low	123 Å²	123	130.2 Å²	130.2	66%	0.658	65%	0.651	S	S	*	*	H	α-helix	trans	-70.2	-20.7	-175.6	-146.6	22.8	0	0	0	114.6	M1 R7	M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 3.25Å; D3-R7 WeakPolarHBondContact O-CG 3.43Å; D3-R7 PolarHBondContact O-N 3.43Å
4	R	49.1	Very low	47.4	Very low	205 Å²	205	130.6 Å²	130.6	77%	0.774	65%	0.647	S	S	*	*	H	α-helix	trans	-81.4	-37.4	173.9	-88.6	-173.1	178.7	-174.5	-0.4	112.3	M1 G2 R7 L8	M1-R4 PolarHBondContact O-N 2.81Å; M1-R4 VanDerWaalsContact O-N 3.17Å; G2-R4 VanDerWaalsContact C-N 3.3Å; G2-R4 PolarHBondContact O-N 2.97Å; R4-R7 PolarHBondContact O-N 3.08Å; R4-L8 PolarHBondContact O-N 3.12Å
5	I	56.7	Low	46.8	Very low	100 Å²	100	132.9 Å²	132.9	51%	0.513	66%	0.655	S	S	.	*	H	α-helix	trans	-68.2	-43.4	177.5	-65.4	173.2	0	0	0	109.3	M1 G2 R7 L8 E9	M1-I5 PolarHBondContact O-N 3.19Å; G2-I5 PolarHBondContact O-N 3.38Å; I5-R7 VanDerWaalsContact C-N 3.28Å; I5-R7 PolarHBondContact O-N 3.25Å; I5-L8 PolarHBondContact O-N 2.91Å; I5-L8 VanDerWaalsContact O-N 3.13Å; I5-E9 HydrophobicContact CG2-CG 4.3Å; I5-E9 WeakPolarHBondContact O-CG 3.33Å; I5-E9 PolarHBondContact O-N 2.85Å
6	T	51.8	Low	46.4	Very low	65 Å²	65	130.4 Å²	130.4	40%	0.399	65%	0.645	S	S	.	*	H	α-helix	trans	-63.7	-32.8	176.5	-39	0	0	0	0	112.4	G2 K10	G2-T6 PolarHBondContact O-N 2.9Å; G2-T6 VanDerWaalsContact O-N 3.1Å; G2-T6 PolarHBondContact O-OG1 3.04Å; T6-K10 VanDerWaalsContact O-CB 3.29Å; T6-K10 WeakPolarHBondContact O-CB 3.41Å; T6-K10 VanDerWaalsContact O-CG 3.23Å; T6-K10 WeakPolarHBondContact O-CG 2.9Å; T6-K10 PolarHBondContact O-N 2.92Å
7	R	46.8	Very low	46.3	Very low	173 Å²	173	131.4 Å²	131.4	65%	0.653	65%	0.653	S	S	*	*	H	α-helix	trans	-69.9	-39.3	172.7	-84.3	-176.6	178.7	-170.3	0.4	113	D3 R4 I5 K10 L11	D3-R7 WeakPolarHBondContact O-CG 3.43Å; D3-R7 PolarHBondContact O-N 3.43Å; R4-R7 PolarHBondContact O-N 3.08Å; I5-R7 VanDerWaalsContact C-N 3.28Å; I5-R7 PolarHBondContact O-N 3.25Å; R7-K10 PolarHBondContact O-N 2.94Å; R7-L11 PolarHBondContact O-N 3.49Å
8	L	49.4	Very low	46	Very low	116 Å²	116	131.3 Å²	131.3	61%	0.607	66%	0.655	S	S	*	*	H	α-helix	trans	-72.2	-39.2	178.4	-77.2	166.2	0	0	0	112.1	R4 I5 K10 L11 A12	R4-L8 PolarHBondContact O-N 3.12Å; I5-L8 PolarHBondContact O-N 2.91Å; I5-L8 VanDerWaalsContact O-N 3.13Å; L8-K10 VanDerWaalsContact C-N 3.33Å; L8-L11 PolarHBondContact O-N 3.41Å; L8-A12 PolarHBondContact O-N 3.25Å
9	E	48.1	Very low	46.1	Very low	120 Å²	120	134.4 Å²	134.4	56%	0.561	67%	0.668	S	S	*	*	H	α-helix	trans	-66.7	-35.5	173	-72.7	-179.7	160.8	0	0	111.9	I5 A12 K13	I5-E9 HydrophobicContact CG2-CG 4.3Å; I5-E9 WeakPolarHBondContact O-CG 3.33Å; I5-E9 PolarHBondContact O-N 2.85Å; E9-A12 PolarHBondContact O-N 3.1Å; E9-K13 PolarHBondContact O-N 3.25Å
10	K	43.2	Very low	46.3	Very low	140 Å²	140	135.7 Å²	135.7	61%	0.609	68%	0.677	S	S	*	*	H	α-helix	trans	-64.2	-39.1	170.7	-81.1	179.6	177.8	-176	0	111.9	T6 R7 L8 F14	T6-K10 VanDerWaalsContact O-CB 3.29Å; T6-K10 WeakPolarHBondContact O-CB 3.41Å; T6-K10 VanDerWaalsContact O-CG 3.23Å; T6-K10 WeakPolarHBondContact O-CG 2.9Å; T6-K10 PolarHBondContact O-N 2.92Å; R7-K10 PolarHBondContact O-N 2.94Å; L8-K10 VanDerWaalsContact C-N 3.33Å; K10-F14 WeakPolarHBondContact O-CD2 3.49Å
11	L	44.4	Very low	46.8	Very low	123 Å²	123	133.9 Å²	133.9	64%	0.644	67%	0.673	S	S	*	*	H	α-helix	trans	-70.8	-35.2	177.2	-84.6	157.9	0	0	0	113.1	R7 L8 K13 F14	R7-L11 PolarHBondContact O-N 3.49Å; L8-L11 PolarHBondContact O-N 3.41Å; L11-K13 VanDerWaalsContact C-N 3.32Å; L11-F14 PolarHBondContact O-N 3.43Å
12	A	49.5	Very low	47.5	Very low	82 Å²	82	131.3 Å²	131.3	68%	0.678	66%	0.658	S	S	*	*	H	α-helix	trans	-71.8	-25.3	176.9	0	0	0	0	0	113.2	L8 E9	L8-A12 PolarHBondContact O-N 3.25Å; E9-A12 PolarHBondContact O-N 3.1Å
13	K	42.2	Very low	48.8	Very low	183 Å²	183	131 Å²	131	80%	0.796	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-10.1	174.8	-79.9	-175	177.2	-178.8	0	114.5	E9 L11 Q15	E9-K13 PolarHBondContact O-N 3.25Å; L11-K13 VanDerWaalsContact C-N 3.32Å; K13-Q15 PolarHBondContact O-N 2.96Å
14	F	37.1	Very low	50.2	Low	137 Å²	137	129.1 Å²	129.1	60%	0.601	64%	0.639	S	S	*	*			trans	-76.8	73.4	166.9	-89.2	-81.8	0	0	0	109.1	K10 L11 L16	K10-F14 WeakPolarHBondContact O-CD2 3.49Å; L11-F14 PolarHBondContact O-N 3.43Å; F14-L16 HydrophobicContact CB-CG 4.26Å; F14-L16 HydrophobicContact CD1-CD2 4.08Å; F14-L16 HydrophobicContact CD1-CG 4.23Å; F14-L16 PolarHBondContact O-N 3.2Å
15	Q	39.3	Very low	51.7	Low	164 Å²	164	126.5 Å²	126.5	77%	0.766	64%	0.635	S	S	*	*			trans	-60.5	89.5	144.7	-75.3	179.3	-35.7	0	0	105.5	K13 D17	K13-Q15 PolarHBondContact O-N 2.96Å; Q15-D17 PolarHBondContact O-N 3.22Å
16	L	39.9	Very low	52.6	Low	93 Å²	93	130.8 Å²	130.8	49%	0.487	65%	0.645	S	S	.	*			trans	-72	73	172.2	-79.8	158.3	0	0	0	108	F14 D18	F14-L16 HydrophobicContact CB-CG 4.26Å; F14-L16 HydrophobicContact CD1-CD2 4.08Å; F14-L16 HydrophobicContact CD1-CG 4.23Å; F14-L16 PolarHBondContact O-N 3.2Å; L16-D18 VanDerWaalsContact C-N 3.35Å
17	D	45	Very low	53.8	Low	148 Å²	148	132.5 Å²	132.5	79%	0.791	65%	0.651	S	S	*	*			trans	-99.6	16.5	160.6	-77	-18.4	0	0	0	110.9	Q15	Q15-D17 PolarHBondContact O-N 3.22Å
18	D	41.4	Very low	55.1	Low	129 Å²	129	129 Å²	129	69%	0.69	64%	0.638	S	S	*	*			trans	-99	113.6	175.7	-79.1	-33.2	0	0	0	111.1	L16 D20	L16-D18 VanDerWaalsContact C-N 3.35Å; D18-D20 PolarHBondContact O-N 3.48Å; D18-D20 VanDerWaalsContact O-N 3.09Å
19	E	47.3	Very low	56.5	Low	191 Å²	191	127.6 Å²	127.6	89%	0.893	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-0.6	-172.7	-88.2	-177.7	148.4	0	0	116.7
20	D	49.2	Very low	58.1	Low	160 Å²	160	129.8 Å²	129.8	86%	0.856	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.4	37.6	-169.9	-83	-43.6	0	0	0	116.4	D18	D18-D20 PolarHBondContact O-N 3.48Å; D18-D20 VanDerWaalsContact O-N 3.09Å
21	V	58.2	Low	59.7	Low	98 Å²	98	128.3 Å²	128.3	59%	0.594	63%	0.628	S	S	*	*			trans	-100.7	107.8	167	-173.5	0	0	0	0	110.6	L23	V21-L23 PolarHBondContact O-N 3.04Å
22	E	63.1	Low	61.4	Low	155 Å²	155	125.9 Å²	125.9	72%	0.724	62%	0.615	S	S	*	*			trans	-59.9	98.1	170	-91	-150	110.1	0	0	110.7	R28	E22-R28 IonicContact OE1-CZ 3.73Å; E22-R28 IonicContact OE1-NH1 2.67Å; E22-R28 PolarHBondContact OE1-NH1 3.43Å; E22-R28 IonicContact OE1-NH2 2.66Å; E22-R28 PolarHBondContact OE1-NH2 3.46Å
23	L	73.4	Confident	62.9	Low	46 Å²	46	127.5 Å²	127.5	24%	0.241	61%	0.608	C	S	.	*			trans	-59	135.9	169.5	-75.9	161.3	0	0	0	109.1	V21 E25 L27 R28 K31	V21-L23 PolarHBondContact O-N 3.04Å; L23-E25 PolarHBondContact O-N 3.06Å; L23-L27 HydrophobicContact CB-CB 4.44Å; L23-L27 HydrophobicContact CD2-CB 4.29Å; L23-R28 HydrophobicContact CB-CB 4.29Å; L23-R28 HydrophobicContact CB-CG 4.31Å; L23-R28 PolarHBondContact O-NE 3.25Å; L23-R28 PolarHBondContact O-NH2 3.01Å; L23-K31 HydrophobicContact CD1-CD 4.15Å
24	P	79.5	Confident	64.8	Low	84 Å²	84	122.7 Å²	122.7	55%	0.545	59%	0.592	S	S	.	*			trans	-50.2	138.8	169.9	-25.7	33	0	0	0	110.3	R26 L27 R28	P24-R26 PolarHBondContact O-N 3.45Å; P24-L27 HydrophobicContact CB-CD1 4.46Å; P24-L27 HydrophobicContact CG-CD1 4.17Å; P24-L27 WeakPolarHBondContact O-CA 3.44Å; P24-L27 WeakPolarHBondContact O-CB 3.5Å; P24-L27 PolarHBondContact O-N 2.92Å; P24-R28 PolarHBondContact O-N 3.03Å
25	E	79.3	Confident	66.9	Low	149 Å²	149	121.4 Å²	121.4	70%	0.696	59%	0.587	S	S	*	*	H	α-helix	trans	-47.1	-41.3	-172.4	-168.6	-172.6	165.4	0	0	113	L23 L27 R28 N29	L23-E25 PolarHBondContact O-N 3.06Å; E25-L27 PolarHBondContact O-N 3.2Å; E25-R28 WeakPolarHBondContact O-CB 3.48Å; E25-R28 PolarHBondContact O-N 3.39Å; E25-N29 WeakPolarHBondContact O-CB 3.5Å; E25-N29 VanDerWaalsContact O-CG 3.25Å; E25-N29 PolarHBondContact O-N 3.49Å; E25-N29 PolarHBondContact O-ND2 3.5Å
26	R	76.9	Confident	68.8	Low	191 Å²	191	121.6 Å²	121.6	72%	0.721	58%	0.581	S	S	*	*	H	α-helix	trans	-62	-39	177.4	-163.5	177.9	-174.6	-173.6	2.4	113.8	P24 R30	P24-R26 PolarHBondContact O-N 3.45Å; R26-R30 WeakPolarHBondContact O-CG 3.45Å; R26-R30 PolarHBondContact O-N 2.88Å; R26-R30 VanDerWaalsContact O-N 3.14Å
27	L	75.7	Confident	71	Confident	101 Å²	101	121.4 Å²	121.4	53%	0.529	58%	0.58	S	S	.	*	H	α-helix	trans	-73.8	-39.4	175.8	-97.7	138.5	0	0	0	111.1	L23 P24 E25 R30 K31	L23-L27 HydrophobicContact CB-CB 4.44Å; L23-L27 HydrophobicContact CD2-CB 4.29Å; P24-L27 HydrophobicContact CB-CD1 4.46Å; P24-L27 HydrophobicContact CG-CD1 4.17Å; P24-L27 WeakPolarHBondContact O-CA 3.44Å; P24-L27 WeakPolarHBondContact O-CB 3.5Å; P24-L27 PolarHBondContact O-N 2.92Å; E25-L27 PolarHBondContact O-N 3.2Å; L27-R30 PolarHBondContact O-N 2.95Å; L27-K31 PolarHBondContact O-N 2.95Å
28	R	75.1	Confident	72.7	Confident	100 Å²	100	123 Å²	123	38%	0.377	58%	0.575	S	S	.	*	H	α-helix	trans	-58.7	-48.4	174.2	-139.6	-179	-66.8	-170.3	2.6	110.6	E22 L23 P24 E25 R30 K31 I32	E22-R28 IonicContact OE1-CZ 3.73Å; E22-R28 IonicContact OE1-NH1 2.67Å; E22-R28 PolarHBondContact OE1-NH1 3.43Å; E22-R28 IonicContact OE1-NH2 2.66Å; E22-R28 PolarHBondContact OE1-NH2 3.46Å; L23-R28 HydrophobicContact CB-CB 4.29Å; L23-R28 HydrophobicContact CB-CG 4.31Å; L23-R28 PolarHBondContact O-NE 3.25Å; L23-R28 PolarHBondContact O-NH2 3.01Å; P24-R28 PolarHBondContact O-N 3.03Å; E25-R28 WeakPolarHBondContact O-CB 3.48Å; E25-R28 PolarHBondContact O-N 3.39Å; R28-R30 PolarHBondContact O-N 3.31Å; R28-K31 PolarHBondContact O-N 3.03Å; R28-I32 WeakPolarHBondContact O-CG1 3.42Å; R28-I32 PolarHBondContact O-N 3.03Å
29	N	78.2	Confident	74.5	Confident	86 Å²	86	124.2 Å²	124.2	46%	0.46	57%	0.571	S	S	.	*	H	α-helix	trans	-60.8	-42.8	175.7	-72.3	-20.1	0	0	0	112.6	E25 I32 E33	E25-N29 WeakPolarHBondContact O-CB 3.5Å; E25-N29 VanDerWaalsContact O-CG 3.25Å; E25-N29 PolarHBondContact O-N 3.49Å; E25-N29 PolarHBondContact O-ND2 3.5Å; N29-I32 PolarHBondContact O-N 3.05Å; N29-E33 WeakPolarHBondContact O-CB 3.3Å; N29-E33 PolarHBondContact O-N 3.39Å
30	R	81.3	Confident	76	Confident	165 Å²	165	122.9 Å²	122.9	62%	0.623	56%	0.558	S	S	*	*	H	α-helix	trans	-66.9	-35.9	176	-80.3	-166.5	171.8	-167	-2.1	113.4	R26 L27 R28 E33 N34	R26-R30 WeakPolarHBondContact O-CG 3.45Å; R26-R30 PolarHBondContact O-N 2.88Å; R26-R30 VanDerWaalsContact O-N 3.14Å; L27-R30 PolarHBondContact O-N 2.95Å; R28-R30 PolarHBondContact O-N 3.31Å; R30-E33 PolarHBondContact O-N 2.8Å; R30-N34 WeakPolarHBondContact O-CB 3.49Å; R30-N34 PolarHBondContact O-N 3Å
31	K	78.9	Confident	77.7	Confident	110 Å²	110	120 Å²	120	48%	0.478	54%	0.542	S	S	.	.	H	α-helix	trans	-64.7	-46.5	175.6	-166	-179.7	177.1	-175	0	110.4	L23 L27 R28 E33 N34 E35	L23-K31 HydrophobicContact CD1-CD 4.15Å; L27-K31 PolarHBondContact O-N 2.95Å; R28-K31 PolarHBondContact O-N 3.03Å; K31-E33 VanDerWaalsContact C-N 3.34Å; K31-E33 PolarHBondContact O-N 3.45Å; K31-N34 PolarHBondContact O-N 2.82Å; K31-E35 WeakPolarHBondContact O-CG 3.37Å; K31-E35 PolarHBondContact O-N 3.49Å
32	I	79.5	Confident	78.6	Confident	72 Å²	72	116.3 Å²	116.3	37%	0.369	52%	0.523	S	S	.	.	H	α-helix	trans	-59.8	-43.5	174.3	-66.2	165.6	0	0	0	111.1	R28 N29 E35 R36	R28-I32 WeakPolarHBondContact O-CG1 3.42Å; R28-I32 PolarHBondContact O-N 3.03Å; N29-I32 PolarHBondContact O-N 3.05Å; I32-E35 PolarHBondContact O-N 3.06Å; I32-R36 WeakPolarHBondContact O-CB 3.5Å; I32-R36 VanDerWaalsContact O-CG 3.31Å; I32-R36 WeakPolarHBondContact O-CG 3.28Å; I32-R36 PolarHBondContact O-N 3Å
33	E	81.5	Confident	79.4	Confident	115 Å²	115	112.4 Å²	112.4	54%	0.537	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-42.2	176.8	-172	175.1	-164	0	0	111.8	N29 R30 K31 R36 L37	N29-E33 WeakPolarHBondContact O-CB 3.3Å; N29-E33 PolarHBondContact O-N 3.39Å; R30-E33 PolarHBondContact O-N 2.8Å; K31-E33 VanDerWaalsContact C-N 3.34Å; K31-E33 PolarHBondContact O-N 3.45Å; E33-R36 PolarHBondContact O-N 2.9Å; E33-L37 HydrophobicContact CG-CD1 4.27Å; E33-L37 WeakPolarHBondContact O-CB 3.45Å; E33-L37 VanDerWaalsContact O-CG 3.29Å; E33-L37 WeakPolarHBondContact O-CG 3.41Å; E33-L37 PolarHBondContact O-N 2.97Å
34	N	82	Confident	79.7	Confident	83 Å²	83	115.2 Å²	115.2	44%	0.444	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-41.8	177.1	-149.2	-82.6	0	0	0	111.9	R30 K31 L37 R38	R30-N34 WeakPolarHBondContact O-CB 3.49Å; R30-N34 PolarHBondContact O-N 3Å; K31-N34 PolarHBondContact O-N 2.82Å; N34-L37 PolarHBondContact O-N 3.28Å; N34-R38 WeakPolarHBondContact O-CG 3.2Å; N34-R38 PolarHBondContact O-N 3.49Å; N34-R38 PolarHBondContact OD1-NE 3.12Å
35	E	81	Confident	79.8	Confident	109 Å²	109	116.6 Å²	116.6	51%	0.509	52%	0.521	S	S	.	.	H	α-helix	trans	-61.3	-43.5	173.8	-75.6	170.6	-170.9	0	0	111.5	K31 I32 L37 R38 Y39	K31-E35 WeakPolarHBondContact O-CG 3.37Å; K31-E35 PolarHBondContact O-N 3.49Å; I32-E35 PolarHBondContact O-N 3.06Å; E35-L37 PolarHBondContact O-N 3.33Å; E35-R38 PolarHBondContact O-N 3.26Å; E35-Y39 WeakPolarHBondContact O-CB 3.44Å; E35-Y39 PolarHBondContact O-N 3.43Å
36	R	78.6	Confident	79.7	Confident	168 Å²	168	116.6 Å²	116.6	63%	0.634	51%	0.514	S	S	*	.	H	α-helix	trans	-61.4	-41.4	173.5	-74.6	174.7	178.9	-175.5	0.8	112.2	I32 E33 Y39 R40	I32-R36 WeakPolarHBondContact O-CB 3.5Å; I32-R36 VanDerWaalsContact O-CG 3.31Å; I32-R36 WeakPolarHBondContact O-CG 3.28Å; I32-R36 PolarHBondContact O-N 3Å; E33-R36 PolarHBondContact O-N 2.9Å; R36-Y39 PolarHBondContact O-N 3.32Å; R36-R40 WeakPolarHBondContact O-CB 3.22Å; R36-R40 WeakPolarHBondContact O-CG 3.5Å; R36-R40 PolarHBondContact O-N 3.12Å
37	L	85.2	Confident	79.6	Confident	89 Å²	89	109.8 Å²	109.8	47%	0.466	50%	0.499	S	S	.	.	H	α-helix	trans	-66.7	-43.6	177.6	-74.2	170.5	0	0	0	111.6	E33 N34 E35 Y39 R40 L41	E33-L37 HydrophobicContact CG-CD1 4.27Å; E33-L37 WeakPolarHBondContact O-CB 3.45Å; E33-L37 VanDerWaalsContact O-CG 3.29Å; E33-L37 WeakPolarHBondContact O-CG 3.41Å; E33-L37 PolarHBondContact O-N 2.97Å; N34-L37 PolarHBondContact O-N 3.28Å; E35-L37 PolarHBondContact O-N 3.33Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; L37-Y39 PolarHBondContact O-N 2.76Å; L37-R40 PolarHBondContact O-N 2.7Å; L37-L41 WeakPolarHBondContact O-CB 3.37Å; L37-L41 PolarHBondContact O-N 2.67Å
38	R	81.8	Confident	79.6	Confident	181 Å²	181	109.4 Å²	109.4	68%	0.683	50%	0.496	S	S	*	.	H	α-helix	trans	-60.9	-42.1	174.3	-73.5	178	-178.2	-150.3	-4.1	111.7	N34 E35 L41 G42	N34-R38 WeakPolarHBondContact O-CG 3.2Å; N34-R38 PolarHBondContact O-N 3.49Å; N34-R38 PolarHBondContact OD1-NE 3.12Å; E35-R38 PolarHBondContact O-N 3.26Å; R38-L41 PolarHBondContact O-N 2.86Å; R38-G42 PolarHBondContact O-N 3.04Å
39	Y	78.6	Confident	79.2	Confident	156 Å²	156	108.6 Å²	108.6	61%	0.612	50%	0.497	S	S	*	.	H	α-helix	trans	-63.2	-45	175.2	-179.2	-103.7	0	0	0	112.2	E35 R36 L37 G42 I43	E35-Y39 WeakPolarHBondContact O-CB 3.44Å; E35-Y39 PolarHBondContact O-N 3.43Å; R36-Y39 PolarHBondContact O-N 3.32Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; L37-Y39 PolarHBondContact O-N 2.76Å; Y39-G42 PolarHBondContact O-N 3.2Å; Y39-I43 HydrophobicContact CD1-CD1 3.8Å; Y39-I43 HydrophobicContact CE1-CD1 3.28Å; Y39-I43 HydrophobicContact CE1-CG1 4.26Å; Y39-I43 WeakPolarHBondContact O-CG1 3.5Å; Y39-I43 PolarHBondContact O-N 3.45Å
40	R	80	Confident	78.7	Confident	163 Å²	163	109.8 Å²	109.8	62%	0.615	50%	0.501	S	S	*	.	H	α-helix	trans	-62	-41.4	174.6	-77.6	178	178.5	-179.9	-0.6	112.4	R36 L37 G42 I43 L44	R36-R40 WeakPolarHBondContact O-CB 3.22Å; R36-R40 WeakPolarHBondContact O-CG 3.5Å; R36-R40 PolarHBondContact O-N 3.12Å; L37-R40 PolarHBondContact O-N 2.7Å; R40-G42 VanDerWaalsContact C-N 3.35Å; R40-I43 PolarHBondContact O-N 3.14Å; R40-L44 PolarHBondContact O-N 3.36Å
41	L	84.1	Confident	78	Confident	99 Å²	99	106.3 Å²	106.3	52%	0.518	49%	0.492	S	S	.	.	H	α-helix	trans	-58.7	-47.9	175.3	-165.4	80.6	0	0	0	110.3	L37 R38 I43 L44 E45	L37-L41 WeakPolarHBondContact O-CB 3.37Å; L37-L41 PolarHBondContact O-N 2.67Å; R38-L41 PolarHBondContact O-N 2.86Å; L41-I43 VanDerWaalsContact C-N 3.31Å; L41-I43 PolarHBondContact O-N 3.5Å; L41-L44 PolarHBondContact O-N 3.5Å; L41-L44 VanDerWaalsContact O-N 3.13Å; L41-E45 WeakPolarHBondContact O-CB 3.18Å; L41-E45 WeakPolarHBondContact O-CG 2.97Å; L41-E45 PolarHBondContact O-N 3.38Å
42	G	77.5	Confident	77.2	Confident	20 Å²	20	106.4 Å²	106.4	21%	0.206	49%	0.492	C	S	.	.	H	α-helix	trans	-65.6	-27.4	176.6	0	0	0	0	0	114.4	R38 Y39 R40 R46	R38-G42 PolarHBondContact O-N 3.04Å; Y39-G42 PolarHBondContact O-N 3.2Å; R40-G42 VanDerWaalsContact C-N 3.35Å; G42-R46 WeakPolarHBondContact O-CG 3.33Å; G42-R46 PolarHBondContact O-N 3.01Å; G42-R46 PolarHBondContact O-NE 2.85Å
43	I	79	Confident	76.1	Confident	74 Å²	74	107.7 Å²	107.7	38%	0.379	50%	0.497	S	S	.	.	H	α-helix	trans	-69.7	-47.5	169.2	-69.8	171.7	0	0	0	110.5	Y39 R40 L41 R46 A47	Y39-I43 HydrophobicContact CD1-CD1 3.8Å; Y39-I43 HydrophobicContact CE1-CD1 3.28Å; Y39-I43 HydrophobicContact CE1-CG1 4.26Å; Y39-I43 WeakPolarHBondContact O-CG1 3.5Å; Y39-I43 PolarHBondContact O-N 3.45Å; R40-I43 PolarHBondContact O-N 3.14Å; L41-I43 VanDerWaalsContact C-N 3.31Å; L41-I43 PolarHBondContact O-N 3.5Å; I43-R46 PolarHBondContact O-N 3.37Å; I43-A47 WeakPolarHBondContact O-CB 3.42Å; I43-A47 PolarHBondContact O-N 3.13Å
44	L	79.4	Confident	74.6	Confident	104 Å²	104	108.2 Å²	108.2	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-43.2	179.8	-78.3	162.7	0	0	0	111.8	R40 L41 R46 A47 I48	R40-L44 PolarHBondContact O-N 3.36Å; L41-L44 PolarHBondContact O-N 3.5Å; L41-L44 VanDerWaalsContact O-N 3.13Å; L44-R46 VanDerWaalsContact C-N 3.34Å; L44-R46 PolarHBondContact O-N 3.24Å; L44-A47 PolarHBondContact O-N 3.45Å; L44-I48 WeakPolarHBondContact O-CB 3.33Å; L44-I48 VanDerWaalsContact O-CG1 3.23Å; L44-I48 WeakPolarHBondContact O-CG1 3.13Å; L44-I48 PolarHBondContact O-N 3.19Å
45	E	81.9	Confident	73	Confident	114 Å²	114	111 Å²	111	53%	0.533	51%	0.506	S	S	.	.	H	α-helix	trans	-60.5	-43	175.9	-74.2	173.5	168.4	0	0	111.7	L41 I48 Q49	L41-E45 WeakPolarHBondContact O-CB 3.18Å; L41-E45 WeakPolarHBondContact O-CG 2.97Å; L41-E45 PolarHBondContact O-N 3.38Å; E45-I48 PolarHBondContact O-N 2.89Å; E45-Q49 VanDerWaalsContact O-CB 3.3Å; E45-Q49 WeakPolarHBondContact O-CB 3.21Å; E45-Q49 PolarHBondContact O-N 3.17Å
46	R	77.9	Confident	71.2	Confident	148 Å²	148	114.7 Å²	114.7	56%	0.558	52%	0.515	S	S	*	.	H	α-helix	trans	-65.8	-42.2	173.9	-78.5	-179	-70.4	-153.7	1.5	112.5	G42 I43 L44 Q49 M50	G42-R46 WeakPolarHBondContact O-CG 3.33Å; G42-R46 PolarHBondContact O-N 3.01Å; G42-R46 PolarHBondContact O-NE 2.85Å; I43-R46 PolarHBondContact O-N 3.37Å; L44-R46 VanDerWaalsContact C-N 3.34Å; L44-R46 PolarHBondContact O-N 3.24Å; R46-Q49 PolarHBondContact O-N 3.3Å; R46-M50 WeakPolarHBondContact O-CB 3.42Å; R46-M50 WeakPolarHBondContact O-CG 3.29Å; R46-M50 PolarHBondContact O-N 3.39Å
47	A	74.8	Confident	69.2	Low	49 Å²	49	115.3 Å²	115.3	41%	0.405	52%	0.522	S	S	.	.	H	α-helix	trans	-63.1	-44	176.7	0	0	0	0	0	111.3	I43 L44 Q49 M50 E51	I43-A47 WeakPolarHBondContact O-CB 3.42Å; I43-A47 PolarHBondContact O-N 3.13Å; L44-A47 PolarHBondContact O-N 3.45Å; A47-Q49 VanDerWaalsContact C-N 3.32Å; A47-Q49 PolarHBondContact O-N 2.92Å; A47-M50 PolarHBondContact O-N 3.03Å; A47-E51 WeakPolarHBondContact O-CB 3.5Å; A47-E51 PolarHBondContact O-N 2.9Å
48	I	74.8	Confident	67.2	Low	92 Å²	92	114.8 Å²	114.8	47%	0.472	52%	0.519	S	S	.	.	H	α-helix	trans	-61	-42.6	173.9	-70.8	166.5	0	0	0	110.5	L44 E45 E51 K52	L44-I48 WeakPolarHBondContact O-CB 3.33Å; L44-I48 VanDerWaalsContact O-CG1 3.23Å; L44-I48 WeakPolarHBondContact O-CG1 3.13Å; L44-I48 PolarHBondContact O-N 3.19Å; E45-I48 PolarHBondContact O-N 2.89Å; I48-E51 PolarHBondContact O-N 3.01Å; I48-K52 HydrophobicContact CG2-CD 4.08Å; I48-K52 HydrophobicContact CG2-CG 4.47Å; I48-K52 WeakPolarHBondContact O-CB 3.42Å; I48-K52 VanDerWaalsContact O-CG 3.27Å; I48-K52 WeakPolarHBondContact O-CG 3.3Å; I48-K52 PolarHBondContact O-N 2.95Å
49	Q	67.8	Low	65.4	Low	83 Å²	83	115 Å²	115	39%	0.388	53%	0.528	S	S	.	.	H	α-helix	trans	-65.5	-45	177.7	-176.7	59.6	24.7	0	0	111.9	E45 R46 A47 E51 K52 E53	E45-Q49 VanDerWaalsContact O-CB 3.3Å; E45-Q49 WeakPolarHBondContact O-CB 3.21Å; E45-Q49 PolarHBondContact O-N 3.17Å; R46-Q49 PolarHBondContact O-N 3.3Å; A47-Q49 VanDerWaalsContact C-N 3.32Å; A47-Q49 PolarHBondContact O-N 2.92Å; Q49-E51 VanDerWaalsContact C-N 3.28Å; Q49-E51 PolarHBondContact O-N 3.45Å; Q49-K52 WeakPolarHBondContact O-CB 3.02Å; Q49-K52 PolarHBondContact O-N 3.19Å; Q49-E53 PolarHBondContact NE2-OE1 3.15Å; Q49-E53 WeakPolarHBondContact O-CB 3.27Å; Q49-E53 WeakPolarHBondContact O-CG 3.4Å; Q49-E53 PolarHBondContact O-N 3.12Å
50	M	67.6	Low	64	Low	111 Å²	111	109.3 Å²	109.3	55%	0.547	51%	0.507	S	S	.	.	H	α-helix	trans	-59.9	-39.8	174.2	-73.9	179.6	74.7	0	0	111.4	R46 A47 E53 K54	R46-M50 WeakPolarHBondContact O-CB 3.42Å; R46-M50 WeakPolarHBondContact O-CG 3.29Å; R46-M50 PolarHBondContact O-N 3.39Å; A47-M50 PolarHBondContact O-N 3.03Å; M50-E53 PolarHBondContact O-N 3.27Å; M50-K54 WeakPolarHBondContact O-CG 3.23Å; M50-K54 PolarHBondContact O-N 3.24Å
51	E	66.9	Low	62.6	Low	92 Å²	92	104.2 Å²	104.2	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-75.7	-30.1	179.2	-131.5	58.2	169.3	0	0	113	A47 I48 Q49 K54 K55	A47-E51 WeakPolarHBondContact O-CB 3.5Å; A47-E51 PolarHBondContact O-N 2.9Å; I48-E51 PolarHBondContact O-N 3.01Å; Q49-E51 VanDerWaalsContact C-N 3.28Å; Q49-E51 PolarHBondContact O-N 3.45Å; E51-K54 IonicContact OE1-NZ 3.47Å; E51-K54 PolarHBondContact OE1-NZ 3.02Å; E51-K54 VanDerWaalsContact OE2-CD 3.29Å; E51-K54 WeakPolarHBondContact OE2-CD 3.25Å; E51-K54 WeakPolarHBondContact OE2-CE 3.47Å; E51-K54 IonicContact OE2-NZ 3.55Å; E51-K54 PolarHBondContact OE2-NZ 3.19Å; E51-K55 WeakPolarHBondContact O-CB 3.35Å; E51-K55 WeakPolarHBondContact O-CG 3.47Å; E51-K55 PolarHBondContact O-N 3.1Å
52	K	62	Low	61.2	Low	112 Å²	112	101.4 Å²	101.4	49%	0.487	48%	0.484	S	S	.	.	H	α-helix	trans	-64.3	-40.1	165.8	-76.2	174.4	178.7	-179.6	0	111.4	I48 Q49 K55 R56	I48-K52 HydrophobicContact CG2-CD 4.08Å; I48-K52 HydrophobicContact CG2-CG 4.47Å; I48-K52 WeakPolarHBondContact O-CB 3.42Å; I48-K52 VanDerWaalsContact O-CG 3.27Å; I48-K52 WeakPolarHBondContact O-CG 3.3Å; I48-K52 PolarHBondContact O-N 2.95Å; Q49-K52 WeakPolarHBondContact O-CB 3.02Å; Q49-K52 PolarHBondContact O-N 3.19Å; K52-K55 PolarHBondContact O-N 3.12Å; K52-R56 WeakPolarHBondContact O-CG 3.18Å; K52-R56 PolarHBondContact O-N 3.27Å
53	E	55.2	Low	60.1	Low	99 Å²	99	103.9 Å²	103.9	46%	0.463	49%	0.492	S	S	.	.	H	α-helix	trans	-69.7	-39.5	176.9	-76	170.1	-168	0	0	112.5	Q49 M50 R56 K57	Q49-E53 PolarHBondContact NE2-OE1 3.15Å; Q49-E53 WeakPolarHBondContact O-CB 3.27Å; Q49-E53 WeakPolarHBondContact O-CG 3.4Å; Q49-E53 PolarHBondContact O-N 3.12Å; M50-E53 PolarHBondContact O-N 3.27Å; E53-R56 WeakPolarHBondContact O-CB 3.15Å; E53-R56 PolarHBondContact O-N 3.28Å; E53-K57 PolarHBondContact O-N 3.46Å
54	K	50.8	Low	59.3	Low	126 Å²	126	105.4 Å²	105.4	55%	0.548	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-41.8	170.2	-72.4	-168.9	-158.2	142.5	0	111.7	M50 E51 R56 K57	M50-K54 WeakPolarHBondContact O-CG 3.23Å; M50-K54 PolarHBondContact O-N 3.24Å; E51-K54 IonicContact OE1-NZ 3.47Å; E51-K54 PolarHBondContact OE1-NZ 3.02Å; E51-K54 VanDerWaalsContact OE2-CD 3.29Å; E51-K54 WeakPolarHBondContact OE2-CD 3.25Å; E51-K54 WeakPolarHBondContact OE2-CE 3.47Å; E51-K54 IonicContact OE2-NZ 3.55Å; E51-K54 PolarHBondContact OE2-NZ 3.19Å; K54-R56 VanDerWaalsContact C-N 3.28Å; K54-R56 PolarHBondContact O-N 3.43Å; K54-K57 CarbonylContact O-C 3.48Å; K54-K57 PolarHBondContact O-N 3.02Å
55	K	47.2	Very low	58.6	Low	143 Å²	143	102.2 Å²	102.2	62%	0.622	48%	0.481	S	S	*	.	H	α-helix	trans	-66	-24.4	173.5	-77.2	-176.1	179.8	-173.2	0	113.6	E51 K52 K57 I58	E51-K55 WeakPolarHBondContact O-CB 3.35Å; E51-K55 WeakPolarHBondContact O-CG 3.47Å; E51-K55 PolarHBondContact O-N 3.1Å; K52-K55 PolarHBondContact O-N 3.12Å; K55-K57 PolarHBondContact O-N 2.98Å; K55-I58 VanDerWaalsContact O-CD1 3.28Å; K55-I58 WeakPolarHBondContact O-CD1 3.28Å; K55-I58 WeakPolarHBondContact O-CG1 3.46Å; K55-I58 PolarHBondContact O-N 2.87Å
56	R	43.7	Very low	58.8	Low	186 Å²	186	96.9 Å²	96.9	70%	0.702	46%	0.456	S	S	*	.	H	α-helix	trans	-69.5	-23.6	170.9	-78.2	178.7	176	-172	-1.7	112.6	K52 E53 K54 I58	K52-R56 WeakPolarHBondContact O-CG 3.18Å; K52-R56 PolarHBondContact O-N 3.27Å; E53-R56 WeakPolarHBondContact O-CB 3.15Å; E53-R56 PolarHBondContact O-N 3.28Å; K54-R56 VanDerWaalsContact C-N 3.28Å; K54-R56 PolarHBondContact O-N 3.43Å; R56-I58 VanDerWaalsContact C-N 3.3Å; R56-I58 PolarHBondContact O-N 3.26Å
57	K	37.8	Very low	59.4	Low	180 Å²	180	90 Å²	90	78%	0.783	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	36.4	171.1	-69.3	-173.2	174.6	-175.5	0	112.3	E53 K54 K55 E59	E53-K57 PolarHBondContact O-N 3.46Å; K54-K57 CarbonylContact O-C 3.48Å; K54-K57 PolarHBondContact O-N 3.02Å; K55-K57 PolarHBondContact O-N 2.98Å; K57-E59 VanDerWaalsContact C-N 3.31Å; K57-E59 PolarHBondContact O-N 2.82Å
58	I	42	Very low	60.1	Low	78 Å²	78	89.6 Å²	89.6	40%	0.4	42%	0.423	S	S	.	.			trans	-61.4	105.7	159.7	-69.5	160.4	0	0	0	105.1	K55 R56 M60 L77	K55-I58 VanDerWaalsContact O-CD1 3.28Å; K55-I58 WeakPolarHBondContact O-CD1 3.28Å; K55-I58 WeakPolarHBondContact O-CG1 3.46Å; K55-I58 PolarHBondContact O-N 2.87Å; R56-I58 VanDerWaalsContact C-N 3.3Å; R56-I58 PolarHBondContact O-N 3.26Å; I58-M60 HydrophobicContact CG2-CG 3.94Å; I58-M60 PolarHBondContact O-N 3.39Å; I58-L77 HydrophobicContact CD1-CD2 4.17Å
59	E	44.3	Very low	60.7	Low	187 Å²	187	87.5 Å²	87.5	87%	0.874	41%	0.411	S	S	*	.			trans	-58.3	91.7	157.5	-76.2	-179.2	173.6	0	0	105.1	K57 P61	K57-E59 VanDerWaalsContact C-N 3.31Å; K57-E59 PolarHBondContact O-N 2.82Å; E59-P61 WeakPolarHBondContact O-CD 3.38Å
60	M	50	Low	61.7	Low	36 Å²	36	83.9 Å²	83.9	18%	0.177	39%	0.394	C	S	.	.			trans	-64.5	126.3	177.9	-67.3	-173.6	73.2	0	0	106.1	I58 S62 F70 L73 L74 L77	I58-M60 HydrophobicContact CG2-CG 3.94Å; I58-M60 PolarHBondContact O-N 3.39Å; M60-S62 PolarHBondContact O-N 2.84Å; M60-F70 HydrophobicContact CB-CE2 3.82Å; M60-F70 HydrophobicContact CE-CD2 3.75Å; M60-F70 HydrophobicContact CE-CE2 3.57Å; M60-F70 HydrophobicContact CE-CZ 4.22Å; M60-F70 HydrophobicContact CG-CE2 4.48Å; M60-F70 HydrophobicContact SD-CE2 3.86Å; M60-F70 HydrophobicContact SD-CZ 4.21Å; M60-L73 HydrophobicContact CE-CB 3.98Å; M60-L73 HydrophobicContact CE-CD2 3.56Å; M60-L73 HydrophobicContact CE-CG 3.67Å; M60-L74 HydrophobicContact CE-CB 4.28Å; M60-L74 HydrophobicContact CE-CD1 4.46Å; M60-L74 HydrophobicContact SD-CD1 3.88Å; M60-L77 HydrophobicContact SD-CD1 4.37Å
61	P	50.6	Low	63	Low	56 Å²	56	78.6 Å²	78.6	36%	0.364	37%	0.368	S	S	.	.			trans	-67.7	83.3	174.3	26.6	-31.8	0	0	0	108.2	E59 N63 E64 L65	E59-P61 WeakPolarHBondContact O-CD 3.38Å; P61-N63 VanDerWaalsContact C-N 3.31Å; P61-N63 PolarHBondContact O-N 3.21Å; P61-E64 HydrophobicContact CB-CB 4.21Å; P61-E64 HydrophobicContact CB-CG 4.31Å; P61-E64 PolarHBondContact O-N 3.5Å; P61-L65 HydrophobicContact CG-CD1 4.37Å; P61-L65 HydrophobicContact CG-CG 4.46Å
62	S	53.8	Low	64.2	Low	39 Å²	39	78.4 Å²	78.4	27%	0.273	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-33.7	-165.8	63.7	0	0	0	0	111.6	M60 R179	M60-S62 PolarHBondContact O-N 2.84Å; S62-R179 VanDerWaalsContact O-CZ 3.26Å; S62-R179 PolarHBondContact O-NH1 3.09Å; S62-R179 PolarHBondContact O-NH2 3.27Å
63	N	55.3	Low	65.6	Low	72 Å²	72	75.8 Å²	75.8	39%	0.385	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-8.7	-174.9	-61.6	-13.9	0	0	0	113.4	P61 R178	P61-N63 VanDerWaalsContact C-N 3.31Å; P61-N63 PolarHBondContact O-N 3.21Å; N63-R178 PolarHBondContact ND2-NH1 2.93Å; N63-R178 PolarHBondContact OD1-NH1 2.92Å; N63-R178 PolarHBondContact OD1-NH2 3.41Å
64	E	61.9	Low	67.4	Low	107 Å²	107	71.1 Å²	71.1	50%	0.5	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-14.3	-177.1	-55.4	-173.8	158.8	0	0	113.4	P61 H192	P61-E64 HydrophobicContact CB-CB 4.21Å; P61-E64 HydrophobicContact CB-CG 4.31Å; P61-E64 PolarHBondContact O-N 3.5Å; E64-H192 HydrophobicContact CB-CB 4.15Å; E64-H192 PolarHBondContact O-N 3.01Å
65	L	65	Low	69.5	Low	36 Å²	36	65.1 Å²	65.1	19%	0.188	31%	0.309	C	S	.	.	S	Bend	trans	-96.3	151	177	-65.9	175.8	0	0	0	111.1	P61 Q69 F70 L73	P61-L65 HydrophobicContact CG-CD1 4.37Å; P61-L65 HydrophobicContact CG-CG 4.46Å; L65-Q69 HydrophobicContact CB-CB 4.28Å; L65-Q69 HydrophobicContact CD2-CB 4.42Å; L65-F70 HydrophobicContact CB-CB 4.13Å; L65-F70 HydrophobicContact CD1-CB 4.46Å; L65-F70 HydrophobicContact CD1-CD2 4.46Å; L65-L73 HydrophobicContact CD1-CD2 4.19Å
66	S	84.9	Confident	71.8	Confident	2 Å²	2	62 Å²	62	1%	0.014	30%	0.297	C	S	.	.			trans	-62.3	155.8	165.2	95.8	0	0	0	0	110.4	T68 Q69 F70 D587	S66-T68 VanDerWaalsContact C-N 3.27Å; S66-T68 PolarHBondContact O-N 2.96Å; S66-Q69 PolarHBondContact O-N 3.15Å; S66-Q69 WeakPolarHBondContact OG-CB 3.43Å; S66-Q69 VanDerWaalsContact OG-CG 3.31Å; S66-Q69 WeakPolarHBondContact OG-CG 3.34Å; S66-Q69 PolarHBondContact OG-N 2.96Å; S66-Q69 VanDerWaalsContact OG-N 3.12Å; S66-F70 WeakPolarHBondContact O-CB 3.35Å; S66-F70 PolarHBondContact O-N 2.96Å; S66-D587 WeakPolarHBondContact CB-OD1 3.48Å; S66-D587 PolarHBondContact OG-OD1 3.24Å
67	V	90.1	Very high	74.1	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-57.4	-44.3	179.4	169.4	0	0	0	0	110.7	F70 L71 Y104 L155 L171 L583 D587	V67-F70 PolarHBondContact O-N 3.22Å; V67-L71 HydrophobicContact CG1-CD1 3.82Å; V67-L71 HydrophobicContact CG1-CG 4.27Å; V67-L71 WeakPolarHBondContact O-CB 3.49Å; V67-L71 WeakPolarHBondContact O-CG 3.43Å; V67-L71 PolarHBondContact O-N 3.16Å; V67-Y104 HydrophobicContact CB-CE2 4.47Å; V67-Y104 HydrophobicContact CG1-CD2 4.13Å; V67-Y104 HydrophobicContact CG1-CE1 4.46Å; V67-Y104 HydrophobicContact CG1-CE2 3.4Å; V67-Y104 VanDerWaalsContact CG1-CE2 3.4Å; V67-L155 HydrophobicContact CG1-CD2 4.21Å; V67-L171 HydrophobicContact CG1-CD2 4.33Å; V67-L583 HydrophobicContact CG2-CD1 4.19Å; V67-L583 HydrophobicContact CG2-CD2 3.65Å; V67-L583 HydrophobicContact CG2-CG 3.67Å; V67-D587 PolarHBondContact N-OD1 2.73Å; V67-D587 VanDerWaalsContact N-OD1 3.17Å
68	T	89.7	Confident	76.8	Confident	42 Å²	42	46.6 Å²	46.6	26%	0.258	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-42	179.4	-55.8	0	0	0	0	111.8	S66 K72 I93 Y104 D587	S66-T68 VanDerWaalsContact C-N 3.27Å; S66-T68 PolarHBondContact O-N 2.96Å; T68-K72 VanDerWaalsContact O-CB 3.25Å; T68-K72 WeakPolarHBondContact O-CB 3.45Å; T68-K72 PolarHBondContact O-N 3.37Å; T68-I93 HydrophobicContact CG2-CB 4.32Å; T68-I93 HydrophobicContact CG2-CG2 4.29Å; T68-Y104 WeakPolarHBondContact OG1-CE1 3.49Å; T68-D587 WeakPolarHBondContact CB-OD1 3.45Å; T68-D587 PolarHBondContact N-OD1 3.22Å; T68-D587 PolarHBondContact OG1-OD1 3.35Å
69	Q	87.4	Confident	79.3	Confident	47 Å²	47	43 Å²	43	22%	0.22	22%	0.219	C	C	.	.	H	α-helix	trans	-65.2	-44.6	176.8	-73.6	172.7	-25.9	0	0	111.7	L65 S66 K72 L73 S590	L65-Q69 HydrophobicContact CB-CB 4.28Å; L65-Q69 HydrophobicContact CD2-CB 4.42Å; S66-Q69 PolarHBondContact O-N 3.15Å; S66-Q69 WeakPolarHBondContact OG-CB 3.43Å; S66-Q69 VanDerWaalsContact OG-CG 3.31Å; S66-Q69 WeakPolarHBondContact OG-CG 3.34Å; S66-Q69 PolarHBondContact OG-N 2.96Å; S66-Q69 VanDerWaalsContact OG-N 3.12Å; Q69-K72 PolarHBondContact O-N 3.29Å; Q69-L73 WeakPolarHBondContact O-CB 3.49Å; Q69-L73 PolarHBondContact O-N 3.13Å; Q69-S590 PolarHBondContact NE2-OG 3.3Å
70	F	90.1	Very high	81.5	Confident	7 Å²	7	40 Å²	40	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-47.8	176.6	179	-96.6	0	0	0	111.2	M60 L65 S66 V67 K72 L73 L74 N153 L155	M60-F70 HydrophobicContact CB-CE2 3.82Å; M60-F70 HydrophobicContact CE-CD2 3.75Å; M60-F70 HydrophobicContact CE-CE2 3.57Å; M60-F70 HydrophobicContact CE-CZ 4.22Å; M60-F70 HydrophobicContact CG-CE2 4.48Å; M60-F70 HydrophobicContact SD-CE2 3.86Å; M60-F70 HydrophobicContact SD-CZ 4.21Å; L65-F70 HydrophobicContact CB-CB 4.13Å; L65-F70 HydrophobicContact CD1-CB 4.46Å; L65-F70 HydrophobicContact CD1-CD2 4.46Å; S66-F70 WeakPolarHBondContact O-CB 3.35Å; S66-F70 PolarHBondContact O-N 2.96Å; V67-F70 PolarHBondContact O-N 3.22Å; F70-K72 VanDerWaalsContact C-N 3.34Å; F70-K72 PolarHBondContact O-N 2.91Å; F70-L73 PolarHBondContact O-N 3.11Å; F70-L74 VanDerWaalsContact O-CB 3.31Å; F70-L74 WeakPolarHBondContact O-CB 3.33Å; F70-L74 PolarHBondContact O-N 3.23Å; F70-N153 HydrophobicContact CE1-CB 4.37Å; F70-N153 HydrophobicContact CZ-CB 4.15Å; F70-L155 HydrophobicContact CD1-CD2 3.43Å; F70-L155 VanDerWaalsContact CD1-CD2 3.43Å; F70-L155 HydrophobicContact CE1-CB 4.15Å; F70-L155 HydrophobicContact CE1-CD2 3.82Å; F70-L155 HydrophobicContact CG-CD2 4.44Å
71	L	93.8	Very high	83.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-43.1	175.2	-69.8	176.2	0	0	0	111.1	V67 L73 L74 F75 I93 Y104 L155 I156 I169	V67-L71 HydrophobicContact CG1-CD1 3.82Å; V67-L71 HydrophobicContact CG1-CG 4.27Å; V67-L71 WeakPolarHBondContact O-CB 3.49Å; V67-L71 WeakPolarHBondContact O-CG 3.43Å; V67-L71 PolarHBondContact O-N 3.16Å; L71-L73 PolarHBondContact O-N 3.32Å; L71-L74 PolarHBondContact O-N 3.11Å; L71-F75 WeakPolarHBondContact O-CB 3.46Å; L71-F75 VanDerWaalsContact O-CD2 3.26Å; L71-F75 WeakPolarHBondContact O-CD2 3.1Å; L71-F75 PolarHBondContact O-N 3.47Å; L71-I93 HydrophobicContact CB-CG1 4.29Å; L71-I93 HydrophobicContact CB-CG2 4.16Å; L71-I93 HydrophobicContact CD1-CG2 4.25Å; L71-Y104 HydrophobicContact CD1-CD1 4.24Å; L71-Y104 HydrophobicContact CD1-CD2 3.72Å; L71-Y104 HydrophobicContact CD1-CE2 4.33Å; L71-Y104 HydrophobicContact CD1-CG 3.68Å; L71-L155 HydrophobicContact CD2-CD2 4.16Å; L71-L155 HydrophobicContact CG-CD2 4.36Å; L71-I156 HydrophobicContact CD2-CD1 3.69Å; L71-I156 HydrophobicContact CD2-CG1 3.93Å; L71-I169 HydrophobicContact CD1-CD1 4.19Å; L71-I169 HydrophobicContact CD1-CG2 4.32Å; L71-I169 HydrophobicContact CD2-CD1 4.47Å; L71-I169 HydrophobicContact CD2-CG2 4.06Å
72	K	92.4	Very high	85.3	Confident	89 Å²	89	39 Å²	39	39%	0.387	20%	0.203	S	C	.	.	H	α-helix	trans	-59.6	-50.3	178.2	-175.2	178.9	178.6	-174.7	0	111.2	T68 Q69 F70 L74 F75 E76 V91 I93	T68-K72 VanDerWaalsContact O-CB 3.25Å; T68-K72 WeakPolarHBondContact O-CB 3.45Å; T68-K72 PolarHBondContact O-N 3.37Å; Q69-K72 PolarHBondContact O-N 3.29Å; F70-K72 VanDerWaalsContact C-N 3.34Å; F70-K72 PolarHBondContact O-N 2.91Å; K72-L74 VanDerWaalsContact C-N 3.32Å; K72-L74 PolarHBondContact O-N 3.17Å; K72-F75 PolarHBondContact O-N 3.46Å; K72-E76 WeakPolarHBondContact CE-OE1 3.31Å; K72-E76 HydrophobicContact CG-CG 4.46Å; K72-E76 WeakPolarHBondContact O-CB 3.41Å; K72-E76 VanDerWaalsContact O-CG 3.29Å; K72-E76 WeakPolarHBondContact O-CG 3.49Å; K72-E76 PolarHBondContact O-N 3.05Å; K72-V91 HydrophobicContact CG-CB 4.5Å; K72-V91 HydrophobicContact CG-CG1 4.24Å; K72-I93 HydrophobicContact CB-CG1 4.15Å
73	L	90.9	Very high	86.9	Confident	57 Å²	57	37.7 Å²	37.7	30%	0.298	19%	0.192	S	C	.	.	H	α-helix	trans	-59.8	-43.3	177.5	-179.4	61.1	0	0	0	111.7	M60 L65 Q69 F70 L71 F75 E76 L77	M60-L73 HydrophobicContact CE-CB 3.98Å; M60-L73 HydrophobicContact CE-CD2 3.56Å; M60-L73 HydrophobicContact CE-CG 3.67Å; L65-L73 HydrophobicContact CD1-CD2 4.19Å; Q69-L73 WeakPolarHBondContact O-CB 3.49Å; Q69-L73 PolarHBondContact O-N 3.13Å; F70-L73 PolarHBondContact O-N 3.11Å; L71-L73 PolarHBondContact O-N 3.32Å; L73-F75 VanDerWaalsContact C-N 3.34Å; L73-F75 PolarHBondContact O-N 2.89Å; L73-E76 PolarHBondContact O-N 3.18Å; L73-L77 WeakPolarHBondContact O-CG 3.43Å; L73-L77 PolarHBondContact O-N 3.16Å
74	L	93.6	Very high	88.2	Confident	1 Å²	1	39 Å²	39	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-43.4	177.6	-172	76.2	0	0	0	111.8	M60 F70 L71 K72 A78 V150 P151 N153 I156	M60-L74 HydrophobicContact CE-CB 4.28Å; M60-L74 HydrophobicContact CE-CD1 4.46Å; M60-L74 HydrophobicContact SD-CD1 3.88Å; F70-L74 VanDerWaalsContact O-CB 3.31Å; F70-L74 WeakPolarHBondContact O-CB 3.33Å; F70-L74 PolarHBondContact O-N 3.23Å; L71-L74 PolarHBondContact O-N 3.11Å; K72-L74 VanDerWaalsContact C-N 3.32Å; K72-L74 PolarHBondContact O-N 3.17Å; L74-A78 WeakPolarHBondContact O-CB 3.42Å; L74-A78 PolarHBondContact O-N 3.16Å; L74-V150 HydrophobicContact CD2-CG1 3.55Å; L74-V150 HydrophobicContact CG-CG1 3.87Å; L74-P151 HydrophobicContact CD1-CB 3.87Å; L74-P151 HydrophobicContact CD1-CG 3.9Å; L74-N153 WeakPolarHBondContact CD2-ND2 3.5Å; L74-I156 HydrophobicContact CD2-CD1 3.5Å; L74-I156 VanDerWaalsContact CD2-CD1 3.5Å
75	F	95.8	Very high	88.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-74.9	-28.7	177.7	-85.9	-94.5	0	0	0	112.8	L71 K72 L73 A78 V79 V91 I93 C106 I146 V150 L159 I167 I169	L71-F75 WeakPolarHBondContact O-CB 3.46Å; L71-F75 VanDerWaalsContact O-CD2 3.26Å; L71-F75 WeakPolarHBondContact O-CD2 3.1Å; L71-F75 PolarHBondContact O-N 3.47Å; K72-F75 PolarHBondContact O-N 3.46Å; L73-F75 VanDerWaalsContact C-N 3.34Å; L73-F75 PolarHBondContact O-N 2.89Å; F75-A78 WeakPolarHBondContact O-CB 3.38Å; F75-A78 PolarHBondContact O-N 2.83Å; F75-V79 WeakPolarHBondContact O-CB 3.48Å; F75-V79 WeakPolarHBondContact O-CG2 3.32Å; F75-V79 PolarHBondContact O-N 2.99Å; F75-V91 HydrophobicContact CB-CG1 3.65Å; F75-I93 HydrophobicContact CB-CD1 4.17Å; F75-I93 HydrophobicContact CD2-CD1 3.84Å; F75-I93 HydrophobicContact CE2-CD1 4.36Å; F75-I93 HydrophobicContact CG-CD1 3.94Å; F75-C106 HydrophobicContact CD1-CB 3.75Å; F75-C106 WeakPolarHBondContact CD1-SG 3.4Å; F75-C106 HydrophobicContact CE1-CB 3.54Å; F75-C106 HydrophobicContact CG-CB 4.31Å; F75-C106 HydrophobicContact CZ-CB 3.95Å; F75-I146 HydrophobicContact CD1-CG2 3.75Å; F75-I146 HydrophobicContact CE1-CG2 4.05Å; F75-V150 HydrophobicContact CD1-CG2 4.23Å; F75-V150 HydrophobicContact CE1-CG2 3.93Å; F75-V150 HydrophobicContact CZ-CG2 4.15Å; F75-L159 HydrophobicContact CZ-CD1 4.48Å; F75-L159 HydrophobicContact CZ-CD2 4.04Å; F75-I167 HydrophobicContact CE1-CB 4.29Å; F75-I167 HydrophobicContact CE1-CD1 3.8Å; F75-I167 HydrophobicContact CE1-CG2 4.1Å; F75-I167 HydrophobicContact CZ-CG2 4.07Å; F75-I169 HydrophobicContact CD2-CD1 4.4Å; F75-I169 HydrophobicContact CE2-CD1 3.5Å; F75-I169 VanDerWaalsContact CE2-CD1 3.5Å; F75-I169 HydrophobicContact CE2-CG1 4.12Å; F75-I169 HydrophobicContact CZ-CD1 3.78Å; F75-I169 HydrophobicContact CZ-CG1 4.03Å
76	E	94	Very high	89.4	Confident	76 Å²	76	43.1 Å²	43.1	36%	0.355	24%	0.244	S	C	.	.	H	α-helix	trans	-62.7	-46.2	170	-76.1	171.2	174.8	0	0	110.9	K72 L73 A78 V79 Q80 V91	K72-E76 WeakPolarHBondContact CE-OE1 3.31Å; K72-E76 HydrophobicContact CG-CG 4.46Å; K72-E76 WeakPolarHBondContact O-CB 3.41Å; K72-E76 VanDerWaalsContact O-CG 3.29Å; K72-E76 WeakPolarHBondContact O-CG 3.49Å; K72-E76 PolarHBondContact O-N 3.05Å; L73-E76 PolarHBondContact O-N 3.18Å; E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.4Å; E76-V79 PolarHBondContact O-N 2.91Å; E76-Q80 WeakPolarHBondContact O-CB 3.28Å; E76-Q80 PolarHBondContact O-N 2.86Å; E76-V91 HydrophobicContact CB-CG2 4.31Å; E76-V91 HydrophobicContact CG-CB 3.72Å; E76-V91 HydrophobicContact CG-CG1 4.33Å; E76-V91 HydrophobicContact CG-CG2 3.57Å
77	L	92.9	Very high	89	Confident	43 Å²	43	47.4 Å²	47.4	23%	0.225	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-42.6	172.8	-68	172.2	0	0	0	111.6	I58 M60 L73 Q80 S81	I58-L77 HydrophobicContact CD1-CD2 4.17Å; M60-L77 HydrophobicContact SD-CD1 4.37Å; L73-L77 WeakPolarHBondContact O-CG 3.43Å; L73-L77 PolarHBondContact O-N 3.16Å; L77-Q80 PolarHBondContact O-N 2.93Å; L77-S81 WeakPolarHBondContact O-CB 3.44Å; L77-S81 PolarHBondContact O-N 3.16Å
78	A	94.9	Very high	88.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-44.8	177.5	0	0	0	0	0	112.1	L74 F75 E76 S81 A82 I146 S149 V150	L74-A78 WeakPolarHBondContact O-CB 3.42Å; L74-A78 PolarHBondContact O-N 3.16Å; F75-A78 WeakPolarHBondContact O-CB 3.38Å; F75-A78 PolarHBondContact O-N 2.83Å; E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.4Å; A78-S81 PolarHBondContact O-N 2.81Å; A78-A82 WeakPolarHBondContact O-CB 3.09Å; A78-A82 PolarHBondContact O-N 3.41Å; A78-I146 HydrophobicContact CB-CG2 4.16Å; A78-S149 WeakPolarHBondContact CA-O 3.44Å; A78-S149 VanDerWaalsContact O-CB 3.28Å; A78-S149 WeakPolarHBondContact O-CB 3.41Å; A78-V150 HydrophobicContact CB-CB 4.26Å; A78-V150 HydrophobicContact CB-CG2 3.68Å
79	V	93.7	Very high	88.6	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.024	30%	0.299	C	S	.	.	H	α-helix	trans	-66	-44.1	178.7	167.6	0	0	0	0	110.9	F75 E76 S81 A82 F83 Y89 V91 I112 I146	F75-V79 WeakPolarHBondContact O-CB 3.48Å; F75-V79 WeakPolarHBondContact O-CG2 3.32Å; F75-V79 PolarHBondContact O-N 2.99Å; E76-V79 PolarHBondContact O-N 2.91Å; V79-S81 VanDerWaalsContact C-N 3.29Å; V79-S81 PolarHBondContact O-N 2.76Å; V79-A82 PolarHBondContact O-N 2.82Å; V79-F83 HydrophobicContact CG1-CD2 4.39Å; V79-F83 PolarHBondContact O-N 2.79Å; V79-Y89 HydrophobicContact CG1-CD2 3.71Å; V79-Y89 HydrophobicContact CG1-CG 3.86Å; V79-V91 HydrophobicContact CB-CG2 4.34Å; V79-V91 HydrophobicContact CG2-CG2 3.99Å; V79-I112 HydrophobicContact CB-CD1 4.47Å; V79-I112 HydrophobicContact CG1-CD1 3.78Å; V79-I112 HydrophobicContact CG2-CD1 3.73Å; V79-I146 HydrophobicContact CG2-CD1 3.82Å; V79-I146 HydrophobicContact CG2-CG1 3.89Å; V79-I146 HydrophobicContact CG2-CG2 4.19Å
80	Q	91.1	Very high	88.6	Confident	123 Å²	123	58 Å²	58	58%	0.575	32%	0.317	S	S	*	.	H	α-helix	trans	-62.5	-37.3	176.6	-171.9	178.5	22.5	0	0	112.2	E76 L77 F83 P84	E76-Q80 WeakPolarHBondContact O-CB 3.28Å; E76-Q80 PolarHBondContact O-N 2.86Å; L77-Q80 PolarHBondContact O-N 2.93Å; Q80-F83 CarbonylContact O-C 3.57Å; Q80-P84 WeakPolarHBondContact O-CA 3.47Å
81	S	90.1	Very high	88.8	Confident	63 Å²	63	58.1 Å²	58.1	44%	0.441	32%	0.319	S	S	.	.	H	α-helix	trans	-71.7	-39.2	175.1	-175.6	0	0	0	0	112.3	L77 A78 V79	L77-S81 WeakPolarHBondContact O-CB 3.44Å; L77-S81 PolarHBondContact O-N 3.16Å; A78-S81 PolarHBondContact O-N 2.81Å; V79-S81 VanDerWaalsContact C-N 3.29Å; V79-S81 PolarHBondContact O-N 2.76Å
82	A	90.3	Very high	88.9	Confident	7 Å²	7	61.3 Å²	61.3	6%	0.058	34%	0.338	C	S	.	.	H	α-helix	trans	-69.4	-39.2	179.5	0	0	0	0	0	113.1	A78 V79 K145 I146	A78-A82 WeakPolarHBondContact O-CB 3.09Å; A78-A82 PolarHBondContact O-N 3.41Å; V79-A82 PolarHBondContact O-N 2.82Å; A82-K145 HydrophobicContact CB-CG 3.93Å; A82-I146 HydrophobicContact CB-CG1 4.5Å
83	F	87.9	Confident	89	Confident	12 Å²	12	58 Å²	58	5%	0.053	33%	0.325	C	S	.	.	S	Bend	trans	-131.3	73.8	-175.6	-51.9	-71.4	0	0	0	110.2	V79 Q80 G85 Y89 I112 I116 L135 V142 K145 I146	V79-F83 HydrophobicContact CG1-CD2 4.39Å; V79-F83 PolarHBondContact O-N 2.79Å; Q80-F83 CarbonylContact O-C 3.57Å; F83-G85 PolarHBondContact O-N 2.92Å; F83-Y89 HydrophobicContact CB-CD2 4.4Å; F83-Y89 HydrophobicContact CB-CE2 3.67Å; F83-I112 HydrophobicContact CD2-CG2 3.96Å; F83-I112 HydrophobicContact CE2-CG2 3.93Å; F83-I112 HydrophobicContact CZ-CG2 4.49Å; F83-I116 HydrophobicContact CD1-CD1 3.61Å; F83-I116 HydrophobicContact CE1-CD1 3.63Å; F83-I116 HydrophobicContact CG-CD1 4.17Å; F83-I116 HydrophobicContact CZ-CD1 4.2Å; F83-L135 HydrophobicContact CD1-CD2 3.97Å; F83-L135 HydrophobicContact CE1-CD2 3.93Å; F83-V142 HydrophobicContact CE2-CG1 3.79Å; F83-V142 HydrophobicContact CZ-CB 4.15Å; F83-V142 HydrophobicContact CZ-CG1 3.69Å; F83-V142 HydrophobicContact CZ-CG2 4.16Å; F83-K145 HydrophobicContact CE1-CG 4.34Å; F83-K145 HydrophobicContact CZ-CB 4.09Å; F83-K145 HydrophobicContact CZ-CG 4.13Å; F83-I146 HydrophobicContact CE2-CD1 4.29Å; F83-I146 HydrophobicContact CE2-CG1 3.82Å
84	P	81.2	Confident	89.1	Confident	101 Å²	101	57.8 Å²	57.8	66%	0.656	33%	0.326	S	S	*	.			trans	-66.5	128.8	179.9	27.4	-33.9	0	0	0	110.8	Q80	Q80-P84 WeakPolarHBondContact O-CA 3.47Å
85	G	78.3	Confident	88.9	Confident	55 Å²	55	62 Å²	62	57%	0.567	35%	0.346	S	S	*	.	S	Bend	trans	174.5	177.1	178	0	0	0	0	0	111	F83 E87	F83-G85 PolarHBondContact O-N 2.92Å; G85-E87 PolarHBondContact O-N 2.78Å
86	D	74.7	Confident	88.8	Confident	174 Å²	174	62.8 Å²	62.8	93%	0.93	35%	0.351	S	S	*	.	S	Bend	trans	-79.5	-7.9	176.5	-65	-37.6	0	0	0	112.9
87	E	77.4	Confident	88.5	Confident	92 Å²	92	64.9 Å²	64.9	43%	0.43	37%	0.369	S	S	.	.			trans	-70.7	132.4	-178.3	-67.3	-69.1	171.9	0	0	111.9	G85 Y89 L119	G85-E87 PolarHBondContact O-N 2.78Å; E87-Y89 HydrophobicContact CB-CE2 4.24Å; E87-Y89 PolarHBondContact O-N 3.01Å; E87-L119 HydrophobicContact CG-CD1 3.8Å; E87-L119 HydrophobicContact CG-CD2 4.42Å; E87-L119 WeakPolarHBondContact OE1-CD2 3.2Å
88	K	80.9	Confident	88.4	Confident	201 Å²	201	68.9 Å²	68.9	87%	0.874	39%	0.385	S	S	*	.			trans	-90.4	108.4	176.1	-69.1	-173.2	-178.8	-179.6	0	110.1
89	Y	88.7	Confident	87.9	Confident	40 Å²	40	76.4 Å²	76.4	16%	0.157	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-88.1	123.1	172.9	-62.5	-66.5	0	0	0	110.8	V79 F83 E87 V91 I112 V115 I116	V79-Y89 HydrophobicContact CG1-CD2 3.71Å; V79-Y89 HydrophobicContact CG1-CG 3.86Å; F83-Y89 HydrophobicContact CB-CD2 4.4Å; F83-Y89 HydrophobicContact CB-CE2 3.67Å; E87-Y89 HydrophobicContact CB-CE2 4.24Å; E87-Y89 PolarHBondContact O-N 3.01Å; Y89-V91 PolarHBondContact O-N 2.68Å; Y89-I112 HydrophobicContact CD1-CB 4.17Å; Y89-I112 HydrophobicContact CD1-CG1 3.8Å; Y89-I112 HydrophobicContact CD1-CG2 3.89Å; Y89-I112 HydrophobicContact CE1-CG2 3.97Å; Y89-I112 HydrophobicContact CG-CG1 4.05Å; Y89-I112 HydrophobicContact CG-CG2 4.43Å; Y89-V115 HydrophobicContact CD1-CB 4.39Å; Y89-V115 HydrophobicContact CD1-CG1 4.29Å; Y89-V115 HydrophobicContact CE1-CB 3.97Å; Y89-V115 HydrophobicContact CE1-CG1 3.65Å; Y89-I116 HydrophobicContact CE1-CG1 4.45Å
90	A	89	Confident	87.7	Confident	72 Å²	72	79.9 Å²	79.9	60%	0.595	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-69.3	126.2	172.8	0	0	0	0	0	110.4
91	V	94.2	Very high	87.7	Confident	11 Å²	11	77.2 Å²	77.2	7%	0.067	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-100	127.8	172.6	175.2	0	0	0	0	110	K72 F75 E76 V79 Y89 I93 S108	K72-V91 HydrophobicContact CG-CB 4.5Å; K72-V91 HydrophobicContact CG-CG1 4.24Å; F75-V91 HydrophobicContact CB-CG1 3.65Å; E76-V91 HydrophobicContact CB-CG2 4.31Å; E76-V91 HydrophobicContact CG-CB 3.72Å; E76-V91 HydrophobicContact CG-CG1 4.33Å; E76-V91 HydrophobicContact CG-CG2 3.57Å; V79-V91 HydrophobicContact CB-CG2 4.34Å; V79-V91 HydrophobicContact CG2-CG2 3.99Å; Y89-V91 PolarHBondContact O-N 2.68Å; V91-I93 HydrophobicContact CG1-CD1 4.26Å; V91-I93 HydrophobicContact CG1-CG1 4.33Å; V91-S108 WeakPolarHBondContact CA-OG 3.23Å
92	T	94.2	Very high	87.9	Confident	67 Å²	67	74.5 Å²	74.5	41%	0.411	41%	0.412	S	S	.	.			trans	-121.9	114.2	179.8	-53.6	0	0	0	0	109.9	T94 C106 N107 S108	T92-T94 HydrophobicContact CG2-CG2 4.12Å; T92-C106 WeakPolarHBondContact O-CA 3.15Å; T92-N107 PolarHBondContact O-N 3.11Å; T92-S108 PolarHBondContact N-OG 2.8Å
93	I	94.6	Very high	88.2	Confident	19 Å²	19	75.3 Å²	75.3	10%	0.097	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.7	171	-55.2	-57.5	0	0	0	108.1	T68 L71 K72 F75 V91 Y104 Q105 C106 I169	T68-I93 HydrophobicContact CG2-CB 4.32Å; T68-I93 HydrophobicContact CG2-CG2 4.29Å; L71-I93 HydrophobicContact CB-CG1 4.29Å; L71-I93 HydrophobicContact CB-CG2 4.16Å; L71-I93 HydrophobicContact CD1-CG2 4.25Å; K72-I93 HydrophobicContact CB-CG1 4.15Å; F75-I93 HydrophobicContact CB-CD1 4.17Å; F75-I93 HydrophobicContact CD2-CD1 3.84Å; F75-I93 HydrophobicContact CE2-CD1 4.36Å; F75-I93 HydrophobicContact CG-CD1 3.94Å; V91-I93 HydrophobicContact CG1-CD1 4.26Å; V91-I93 HydrophobicContact CG1-CG1 4.33Å; I93-Y104 HydrophobicContact CG2-CD1 4.1Å; I93-Y104 HydrophobicContact CG2-CG 4.49Å; I93-Q105 WeakPolarHBondContact CA-O 3.4Å; I93-C106 HydrophobicContact CD1-CB 3.54Å; I93-I169 HydrophobicContact CD1-CD1 4.32Å
94	T	92.9	Very high	88.6	Confident	52 Å²	52	75.4 Å²	75.4	32%	0.319	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	155.3	175.7	60.8	0	0	0	0	110.5	T92 Y104 Q105 N107	T92-T94 HydrophobicContact CG2-CG2 4.12Å; T94-Y104 CarbonylContact O-C 3.55Å; T94-Y104 VanDerWaalsContact O-CA 3.28Å; T94-Y104 WeakPolarHBondContact O-CA 3.5Å; T94-Q105 PolarHBondContact N-O 2.82Å; T94-Q105 PolarHBondContact O-N 2.7Å; T94-N107 PolarHBondContact OG1-ND2 2.99Å
95	E	90.6	Very high	89.3	Confident	91 Å²	91	71.5 Å²	71.5	43%	0.425	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	144.5	166.4	-172.5	-179.2	-141.6	0	0	110	K581 K584	E95-K581 IonicContact OE1-NZ 2.87Å; E95-K584 IonicContact OE1-NZ 3.08Å; E95-K584 PolarHBondContact OE1-NZ 2.72Å; E95-K584 IonicContact OE2-NZ 2.7Å; E95-K584 PolarHBondContact OE2-NZ 3.02Å
96	S	92.9	Very high	90.2	Very high	16 Å²	16	69 Å²	69	11%	0.112	36%	0.362	C	S	.	.			trans	-69.7	135.2	174.1	-69.1	0	0	0	0	111.3	K98 F101 G102 D103 Y104 Q105	S96-K98 VanDerWaalsContact C-N 3.3Å; S96-K98 PolarHBondContact O-N 2.87Å; S96-F101 PolarHBondContact OG-O 3.13Å; S96-G102 WeakPolarHBondContact CB-O 3.09Å; S96-G102 PolarHBondContact OG-O 3.36Å; S96-G102 VanDerWaalsContact OG-O 3.05Å; S96-D103 PolarHBondContact N-O 2.92Å; S96-Y104 PolarHBondContact OG-N 2.99Å; S96-Y104 PolarHBondContact OG-O 3.04Å; S96-Q105 WeakPolarHBondContact OG-CG 3.2Å
97	T	88.8	Confident	91.2	Very high	119 Å²	119	62.9 Å²	62.9	73%	0.73	33%	0.33	S	S	*	.	S	Bend	trans	-78.6	-14.1	175.8	53.8	0	0	0	0	113.6
98	K	89.1	Confident	92	Very high	128 Å²	128	58.5 Å²	58.5	56%	0.557	31%	0.31	S	S	*	.	S	Bend	trans	-139.5	143.1	179.1	-62.2	-175	-178.1	-179.1	0	109.7	S96 S100 F101	S96-K98 VanDerWaalsContact C-N 3.3Å; S96-K98 PolarHBondContact O-N 2.87Å; K98-S100 PolarHBondContact O-N 3.42Å; K98-F101 HydrophobicContact CB-CD2 3.89Å; K98-F101 HydrophobicContact CB-CE2 4.11Å; K98-F101 HydrophobicContact CB-CG 4.2Å; K98-F101 HydrophobicContact CD-CD2 4.47Å; K98-F101 HydrophobicContact CD-CE2 3.84Å; K98-F101 HydrophobicContact CD-CZ 3.92Å; K98-F101 HydrophobicContact CG-CD2 4.29Å; K98-F101 HydrophobicContact CG-CE2 4.07Å; K98-F101 WeakPolarHBondContact O-CB 3.4Å; K98-F101 PolarHBondContact O-N 3.02Å
99	E	85.3	Confident	92.6	Very high	157 Å²	157	49 Å²	49	73%	0.734	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-59.7	-32.9	176.9	-174.6	165.8	-150.7	0	0	112.9	F101 G102	E99-F101 PolarHBondContact O-N 3.34Å; E99-F101 VanDerWaalsContact O-N 3.08Å; E99-G102 PolarHBondContact O-N 3.03Å
100	S	88.9	Confident	92.8	Very high	78 Å²	78	51 Å²	51	55%	0.545	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61.6	-17.3	174.1	61	0	0	0	0	113.6	K98 Y170	K98-S100 PolarHBondContact O-N 3.42Å; S100-Y170 PolarHBondContact O-OH 3.28Å
101	F	92.7	Very high	92.9	Very high	67 Å²	67	50 Å²	50	29%	0.294	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-96.3	11.2	178.6	-56.8	-21	0	0	0	113.1	S96 K98 E99 Q105 N168	S96-F101 PolarHBondContact OG-O 3.13Å; K98-F101 HydrophobicContact CB-CD2 3.89Å; K98-F101 HydrophobicContact CB-CE2 4.11Å; K98-F101 HydrophobicContact CB-CG 4.2Å; K98-F101 HydrophobicContact CD-CD2 4.47Å; K98-F101 HydrophobicContact CD-CE2 3.84Å; K98-F101 HydrophobicContact CD-CZ 3.92Å; K98-F101 HydrophobicContact CG-CD2 4.29Å; K98-F101 HydrophobicContact CG-CE2 4.07Å; K98-F101 WeakPolarHBondContact O-CB 3.4Å; K98-F101 PolarHBondContact O-N 3.02Å; E99-F101 PolarHBondContact O-N 3.34Å; E99-F101 VanDerWaalsContact O-N 3.08Å; F101-Q105 HydrophobicContact CB-CG 4.41Å; F101-N168 WeakPolarHBondContact O-CB 3.38Å; F101-N168 PolarHBondContact O-OD1 3.3Å
102	G	93.9	Very high	92.8	Very high	5 Å²	5	49.5 Å²	49.5	5%	0.052	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	79.9	-160.8	-173.9	0	0	0	0	0	111.9	S96 E99 Y170	S96-G102 WeakPolarHBondContact CB-O 3.09Å; S96-G102 PolarHBondContact OG-O 3.36Å; S96-G102 VanDerWaalsContact OG-O 3.05Å; E99-G102 PolarHBondContact O-N 3.03Å; G102-Y170 VanDerWaalsContact CA-CD1 3.49Å
103	D	95	Very high	92.6	Very high	24 Å²	24	46.5 Å²	46.5	13%	0.128	25%	0.251	C	S	.	.	S	Bend	trans	-92.6	-37.2	-177.1	-56.3	-66.3	0	0	0	111.7	S96 I169 L171 K580	S96-D103 PolarHBondContact N-O 2.92Å; D103-I169 PolarHBondContact N-O 2.97Å; D103-L171 HydrophobicContact CB-CD1 4.23Å; D103-L171 HydrophobicContact CB-CG 3.85Å; D103-L171 PolarHBondContact OD2-N 3.31Å; D103-K580 WeakPolarHBondContact OD1-CD 3.33Å; D103-K580 WeakPolarHBondContact OD1-CE 3.44Å; D103-K580 IonicContact OD1-NZ 3.7Å; D103-K580 PolarHBondContact OD1-NZ 3.29Å
104	Y	96.3	Very high	92.4	Very high	15 Å²	15	52.1 Å²	52.1	6%	0.059	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	162.7	176.2	-64.7	-92.6	0	0	0	111.1	V67 T68 L71 I93 T94 S96 I169 L171 D587	V67-Y104 HydrophobicContact CB-CE2 4.47Å; V67-Y104 HydrophobicContact CG1-CD2 4.13Å; V67-Y104 HydrophobicContact CG1-CE1 4.46Å; V67-Y104 HydrophobicContact CG1-CE2 3.4Å; V67-Y104 VanDerWaalsContact CG1-CE2 3.4Å; T68-Y104 WeakPolarHBondContact OG1-CE1 3.49Å; L71-Y104 HydrophobicContact CD1-CD1 4.24Å; L71-Y104 HydrophobicContact CD1-CD2 3.72Å; L71-Y104 HydrophobicContact CD1-CE2 4.33Å; L71-Y104 HydrophobicContact CD1-CG 3.68Å; I93-Y104 HydrophobicContact CG2-CD1 4.1Å; I93-Y104 HydrophobicContact CG2-CG 4.49Å; T94-Y104 CarbonylContact O-C 3.55Å; T94-Y104 VanDerWaalsContact O-CA 3.28Å; T94-Y104 WeakPolarHBondContact O-CA 3.5Å; S96-Y104 PolarHBondContact OG-N 2.99Å; S96-Y104 PolarHBondContact OG-O 3.04Å; Y104-I169 PolarHBondContact N-O 2.93Å; Y104-I169 VanDerWaalsContact N-O 3.16Å; Y104-I169 WeakPolarHBondContact O-CA 3.2Å; Y104-I169 WeakPolarHBondContact O-CB 3.29Å; Y104-I169 PolarHBondContact O-N 2.85Å; Y104-L171 HydrophobicContact CD2-CD2 4.2Å; Y104-L171 HydrophobicContact CE2-CD1 4.1Å; Y104-L171 HydrophobicContact CE2-CD2 4.35Å; Y104-L171 HydrophobicContact CE2-CG 4.49Å; Y104-D587 PolarHBondContact OH-OD2 3.38Å; Y104-D587 VanDerWaalsContact OH-OD2 3.13Å
105	Q	96.5	Very high	92.1	Very high	19 Å²	19	52.1 Å²	52.1	9%	0.089	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136	173.5	-53.1	-174	-87.6	0	0	110.3	I93 T94 S96 F101 I167 N168	I93-Q105 WeakPolarHBondContact CA-O 3.4Å; T94-Q105 PolarHBondContact N-O 2.82Å; T94-Q105 PolarHBondContact O-N 2.7Å; S96-Q105 WeakPolarHBondContact OG-CG 3.2Å; F101-Q105 HydrophobicContact CB-CG 4.41Å; Q105-I167 CarbonylContact C-O 3.55Å; Q105-I167 VanDerWaalsContact CA-O 3.31Å; Q105-I167 WeakPolarHBondContact CA-O 3.38Å; Q105-N168 PolarHBondContact NE2-OD1 3.42Å
106	C	97	Very high	91.9	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.9	164.7	179.2	0	0	0	0	109.7	F75 T92 I93 S108 I167	F75-C106 HydrophobicContact CD1-CB 3.75Å; F75-C106 WeakPolarHBondContact CD1-SG 3.4Å; F75-C106 HydrophobicContact CE1-CB 3.54Å; F75-C106 HydrophobicContact CG-CB 4.31Å; F75-C106 HydrophobicContact CZ-CB 3.95Å; T92-C106 WeakPolarHBondContact O-CA 3.15Å; I93-C106 HydrophobicContact CD1-CB 3.54Å; C106-S108 PolarHBondContact SG-OG 3.03Å; C106-I167 HydrophobicContact CB-CB 4.13Å; C106-I167 PolarHBondContact N-O 2.83Å; C106-I167 PolarHBondContact O-N 3.44Å
107	N	95.6	Very high	91.4	Very high	46 Å²	46	51.2 Å²	51.2	25%	0.246	27%	0.269	C	S	.	.			trans	-109.8	22.3	-173.5	-57.3	-25.7	0	0	0	112.4	T92 T94 F166	T92-N107 PolarHBondContact O-N 3.11Å; T94-N107 PolarHBondContact OG1-ND2 2.99Å; N107-F166 HydrophobicContact CB-CD1 4.23Å; N107-F166 HydrophobicContact CB-CE1 4.3Å; N107-F166 WeakPolarHBondContact OD1-CD1 3.44Å
108	S	95.5	Very high	91.2	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.007	26%	0.26	C	S	.	.			trans	-84	-25.5	-169.3	-45	0	0	0	0	113.7	V91 T92 C106 M110 A111 I112	V91-S108 WeakPolarHBondContact CA-OG 3.23Å; T92-S108 PolarHBondContact N-OG 2.8Å; C106-S108 PolarHBondContact SG-OG 3.03Å; S108-M110 VanDerWaalsContact C-N 3.29Å; S108-M110 PolarHBondContact O-N 2.81Å; S108-A111 PolarHBondContact O-N 2.81Å; S108-A111 VanDerWaalsContact O-N 3.16Å; S108-I112 WeakPolarHBondContact O-CG1 3.41Å; S108-I112 PolarHBondContact O-N 2.96Å
109	A	93.7	Very high	90.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-34.7	-166.1	0	0	0	0	0	113.8	A113 S139 V142 A143 I146 G165	A109-A113 VanDerWaalsContact O-CB 3.22Å; A109-A113 WeakPolarHBondContact O-CB 3.3Å; A109-A113 PolarHBondContact O-N 3.24Å; A109-S139 WeakPolarHBondContact CB-O 3.19Å; A109-V142 HydrophobicContact CB-CB 4.19Å; A109-V142 HydrophobicContact CB-CG1 3.86Å; A109-V142 WeakPolarHBondContact O-CG1 3.31Å; A109-A143 HydrophobicContact CB-CB 3.73Å; A109-I146 HydrophobicContact CB-CD1 4.41Å; A109-G165 WeakPolarHBondContact CB-O 3.49Å
110	M	91.8	Very high	90.4	Very high	81 Å²	81	41.8 Å²	41.8	40%	0.399	22%	0.221	S	C	.	.	H	α-helix	trans	-69.9	-42	178.6	-170.7	-174.7	-53.1	0	0	112.6	S108 A113 K114 S139 P164	S108-M110 VanDerWaalsContact C-N 3.29Å; S108-M110 PolarHBondContact O-N 2.81Å; M110-A113 PolarHBondContact O-N 3.01Å; M110-K114 WeakPolarHBondContact O-CG 3.42Å; M110-K114 PolarHBondContact O-N 3.13Å; M110-K114 VanDerWaalsContact O-N 3.17Å; M110-S139 WeakPolarHBondContact CA-OG 3.36Å; M110-P164 HydrophobicContact CE-CG 4.31Å
111	A	92	Very high	89.9	Confident	52 Å²	52	43.4 Å²	43.4	43%	0.43	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-44.4	176.8	0	0	0	0	0	110.5	S108 A113 K114 V115	S108-A111 PolarHBondContact O-N 2.81Å; S108-A111 VanDerWaalsContact O-N 3.16Å; A111-A113 PolarHBondContact O-N 3.29Å; A111-K114 WeakPolarHBondContact O-CB 3.27Å; A111-K114 PolarHBondContact O-N 3.22Å; A111-V115 PolarHBondContact O-N 2.81Å; A111-V115 VanDerWaalsContact O-N 3.11Å
112	I	91.6	Very high	89.1	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-44.8	176.5	-65.8	169	0	0	0	111	V79 F83 Y89 S108 K114 V115 I116 V142 I146	V79-I112 HydrophobicContact CB-CD1 4.47Å; V79-I112 HydrophobicContact CG1-CD1 3.78Å; V79-I112 HydrophobicContact CG2-CD1 3.73Å; F83-I112 HydrophobicContact CD2-CG2 3.96Å; F83-I112 HydrophobicContact CE2-CG2 3.93Å; F83-I112 HydrophobicContact CZ-CG2 4.49Å; Y89-I112 HydrophobicContact CD1-CB 4.17Å; Y89-I112 HydrophobicContact CD1-CG1 3.8Å; Y89-I112 HydrophobicContact CD1-CG2 3.89Å; Y89-I112 HydrophobicContact CE1-CG2 3.97Å; Y89-I112 HydrophobicContact CG-CG1 4.05Å; Y89-I112 HydrophobicContact CG-CG2 4.43Å; S108-I112 WeakPolarHBondContact O-CG1 3.41Å; S108-I112 PolarHBondContact O-N 2.96Å; I112-K114 VanDerWaalsContact C-N 3.28Å; I112-K114 PolarHBondContact O-N 3.45Å; I112-V115 PolarHBondContact O-N 3.47Å; I112-V115 VanDerWaalsContact O-N 3.16Å; I112-I116 HydrophobicContact CG2-CD1 3.72Å; I112-I116 HydrophobicContact CG2-CG1 4.31Å; I112-I116 WeakPolarHBondContact O-CG1 3.49Å; I112-I116 PolarHBondContact O-N 3.22Å; I112-V142 HydrophobicContact CB-CG1 3.94Å; I112-V142 HydrophobicContact CG2-CG1 3.67Å; I112-I146 HydrophobicContact CD1-CD1 3.82Å
113	A	90.2	Very high	88	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-39.1	177.3	0	0	0	0	0	112.8	A109 M110 A111 H117 V142	A109-A113 VanDerWaalsContact O-CB 3.22Å; A109-A113 WeakPolarHBondContact O-CB 3.3Å; A109-A113 PolarHBondContact O-N 3.24Å; M110-A113 PolarHBondContact O-N 3.01Å; A111-A113 PolarHBondContact O-N 3.29Å; A113-H117 WeakPolarHBondContact O-CB 3.33Å; A113-H117 PolarHBondContact O-N 2.99Å; A113-V142 HydrophobicContact CB-CG2 3.97Å
114	K	89.6	Confident	86.4	Confident	137 Å²	137	49.2 Å²	49.2	60%	0.596	26%	0.263	S	S	*	.	H	α-helix	trans	-65.2	-45.3	174.8	-71.4	176.6	-177.7	179.8	0	111.8	M110 A111 I112 H117 T118	M110-K114 WeakPolarHBondContact O-CG 3.42Å; M110-K114 PolarHBondContact O-N 3.13Å; M110-K114 VanDerWaalsContact O-N 3.17Å; A111-K114 WeakPolarHBondContact O-CB 3.27Å; A111-K114 PolarHBondContact O-N 3.22Å; I112-K114 VanDerWaalsContact C-N 3.28Å; I112-K114 PolarHBondContact O-N 3.45Å; K114-H117 WeakPolarHBondContact O-CB 3.33Å; K114-H117 PolarHBondContact O-N 3.34Å; K114-T118 PolarHBondContact O-N 2.78Å; K114-T118 PolarHBondContact O-OG1 3.01Å; K114-T118 VanDerWaalsContact O-OG1 3.13Å
115	V	87.9	Confident	84.8	Confident	52 Å²	52	56.4 Å²	56.4	32%	0.315	30%	0.303	S	S	.	.	H	α-helix	trans	-60	-48.7	176.6	175.1	0	0	0	0	110.6	Y89 A111 I112 H117 T118 L119	Y89-V115 HydrophobicContact CD1-CB 4.39Å; Y89-V115 HydrophobicContact CD1-CG1 4.29Å; Y89-V115 HydrophobicContact CE1-CB 3.97Å; Y89-V115 HydrophobicContact CE1-CG1 3.65Å; A111-V115 PolarHBondContact O-N 2.81Å; A111-V115 VanDerWaalsContact O-N 3.11Å; I112-V115 PolarHBondContact O-N 3.47Å; I112-V115 VanDerWaalsContact O-N 3.16Å; V115-H117 VanDerWaalsContact C-N 3.26Å; V115-H117 PolarHBondContact O-N 3.4Å; V115-T118 PolarHBondContact O-N 3.07Å; V115-T118 VanDerWaalsContact O-N 3.15Å; V115-L119 HydrophobicContact CG1-CD1 3.95Å; V115-L119 HydrophobicContact CG1-CG 4.4Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 3.43Å
116	I	84.7	Confident	83.1	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-58.1	-40.5	176.9	-67.5	170.4	0	0	0	111.2	F83 Y89 I112 R120 L135 V142	F83-I116 HydrophobicContact CD1-CD1 3.61Å; F83-I116 HydrophobicContact CE1-CD1 3.63Å; F83-I116 HydrophobicContact CG-CD1 4.17Å; F83-I116 HydrophobicContact CZ-CD1 4.2Å; Y89-I116 HydrophobicContact CE1-CG1 4.45Å; I112-I116 HydrophobicContact CG2-CD1 3.72Å; I112-I116 HydrophobicContact CG2-CG1 4.31Å; I112-I116 WeakPolarHBondContact O-CG1 3.49Å; I112-I116 PolarHBondContact O-N 3.22Å; I116-R120 WeakPolarHBondContact O-CB 3.35Å; I116-R120 PolarHBondContact O-N 2.76Å; I116-L135 HydrophobicContact CG2-CB 3.92Å; I116-L135 HydrophobicContact CG2-CD1 4.18Å; I116-V142 HydrophobicContact CD1-CG2 4.28Å
117	H	84.2	Confident	81.2	Confident	86 Å²	86	69.5 Å²	69.5	40%	0.398	36%	0.364	S	S	.	.	H	α-helix	trans	-63.3	-45.9	176.6	-175.5	71.6	0	0	0	112.1	A113 K114 V115 L119 R120 L121	A113-H117 WeakPolarHBondContact O-CB 3.33Å; A113-H117 PolarHBondContact O-N 2.99Å; K114-H117 WeakPolarHBondContact O-CB 3.33Å; K114-H117 PolarHBondContact O-N 3.34Å; V115-H117 VanDerWaalsContact C-N 3.26Å; V115-H117 PolarHBondContact O-N 3.4Å; H117-L119 PolarHBondContact O-N 3.25Å; H117-R120 WeakPolarHBondContact O-CB 3.5Å; H117-R120 PolarHBondContact O-N 3.41Å; H117-L121 WeakPolarHBondContact O-CG 3.21Å; H117-L121 PolarHBondContact O-N 2.94Å; H117-L121 VanDerWaalsContact O-N 3.12Å
118	T	84.6	Confident	79.2	Confident	90 Å²	90	73.5 Å²	73.5	55%	0.552	38%	0.379	S	S	*	.	H	α-helix	trans	-60.9	-44.8	176.9	-57.9	0	0	0	0	111.8	K114 V115 R120 L121 S122	K114-T118 PolarHBondContact O-N 2.78Å; K114-T118 PolarHBondContact O-OG1 3.01Å; K114-T118 VanDerWaalsContact O-OG1 3.13Å; V115-T118 PolarHBondContact O-N 3.07Å; V115-T118 VanDerWaalsContact O-N 3.15Å; T118-R120 VanDerWaalsContact C-N 3.31Å; T118-R120 PolarHBondContact O-N 2.95Å; T118-L121 WeakPolarHBondContact O-CB 3.46Å; T118-L121 PolarHBondContact O-N 3.39Å; T118-L121 VanDerWaalsContact O-N 3.1Å; T118-S122 PolarHBondContact O-N 3.24Å
119	L	80.8	Confident	77.1	Confident	20 Å²	20	74 Å²	74	11%	0.105	38%	0.383	C	S	.	.	H	α-helix	trans	-62.4	-40.6	176.9	-65.4	168.7	0	0	0	111.6	E87 V115 H117 L121 S122 Y123 F132	E87-L119 HydrophobicContact CG-CD1 3.8Å; E87-L119 HydrophobicContact CG-CD2 4.42Å; E87-L119 WeakPolarHBondContact OE1-CD2 3.2Å; V115-L119 HydrophobicContact CG1-CD1 3.95Å; V115-L119 HydrophobicContact CG1-CG 4.4Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 3.43Å; H117-L119 PolarHBondContact O-N 3.25Å; L119-L121 PolarHBondContact O-N 2.86Å; L119-S122 WeakPolarHBondContact CA-OG 3.26Å; L119-S122 PolarHBondContact O-N 2.84Å; L119-S122 PolarHBondContact O-OG 3.27Å; L119-Y123 HydrophobicContact CB-CD2 4.47Å; L119-Y123 HydrophobicContact CD2-CE2 4.28Å; L119-Y123 WeakPolarHBondContact O-CD2 3.39Å; L119-Y123 PolarHBondContact O-N 3.4Å; L119-F132 HydrophobicContact CB-CD1 4.37Å; L119-F132 HydrophobicContact CB-CE1 4.01Å; L119-F132 HydrophobicContact CD1-CE1 4.44Å
120	R	76.9	Confident	75.1	Confident	95 Å²	95	80.8 Å²	80.8	36%	0.358	41%	0.409	S	S	.	.	H	α-helix	trans	-60.4	-34.8	175.6	-176.6	176.4	171.9	168.1	-1.8	112.3	I116 H117 T118 A124 F132	I116-R120 WeakPolarHBondContact O-CB 3.35Å; I116-R120 PolarHBondContact O-N 2.76Å; H117-R120 WeakPolarHBondContact O-CB 3.5Å; H117-R120 PolarHBondContact O-N 3.41Å; T118-R120 VanDerWaalsContact C-N 3.31Å; T118-R120 PolarHBondContact O-N 2.95Å; R120-A124 PolarHBondContact O-N 2.97Å; R120-F132 HydrophobicContact CB-CB 4.23Å; R120-F132 HydrophobicContact CG-CB 4.23Å
121	L	77.3	Confident	73.3	Confident	113 Å²	113	81.1 Å²	81.1	59%	0.592	41%	0.412	S	S	*	.	H	α-helix	trans	-71.4	-41	175.2	-67.1	173.7	0	0	0	112	H117 T118 L119 Y123 A124	H117-L121 WeakPolarHBondContact O-CG 3.21Å; H117-L121 PolarHBondContact O-N 2.94Å; H117-L121 VanDerWaalsContact O-N 3.12Å; T118-L121 WeakPolarHBondContact O-CB 3.46Å; T118-L121 PolarHBondContact O-N 3.39Å; T118-L121 VanDerWaalsContact O-N 3.1Å; L119-L121 PolarHBondContact O-N 2.86Å; L121-Y123 VanDerWaalsContact C-N 3.33Å; L121-Y123 PolarHBondContact O-N 3.38Å; L121-A124 WeakPolarHBondContact O-CB 3.48Å; L121-A124 PolarHBondContact O-N 2.91Å
122	S	75.5	Confident	71.6	Confident	76 Å²	76	80.8 Å²	80.8	53%	0.531	40%	0.4	S	S	.	.	H	α-helix	trans	-65.7	-35.2	178.8	61.3	0	0	0	0	112.7	T118 L119	T118-S122 PolarHBondContact O-N 3.24Å; L119-S122 WeakPolarHBondContact CA-OG 3.26Å; L119-S122 PolarHBondContact O-N 2.84Å; L119-S122 PolarHBondContact O-OG 3.27Å
123	Y	70.9	Confident	69.7	Low	88 Å²	88	87.1 Å²	87.1	35%	0.345	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	11	-179	-65.5	-70.7	0	0	0	114.4	L119 L121 N125 E126 F132	L119-Y123 HydrophobicContact CB-CD2 4.47Å; L119-Y123 HydrophobicContact CD2-CE2 4.28Å; L119-Y123 WeakPolarHBondContact O-CD2 3.39Å; L119-Y123 PolarHBondContact O-N 3.4Å; L121-Y123 VanDerWaalsContact C-N 3.33Å; L121-Y123 PolarHBondContact O-N 3.38Å; Y123-N125 PolarHBondContact O-N 3.47Å; Y123-N125 VanDerWaalsContact O-N 3.12Å; Y123-E126 HydrophobicContact CD1-CG 4.42Å; Y123-E126 VanDerWaalsContact CD1-OE2 3.27Å; Y123-E126 WeakPolarHBondContact CD1-OE2 3.44Å; Y123-E126 PolarHBondContact O-N 3.34Å; Y123-F132 HydrophobicContact CD2-CD2 4.09Å; Y123-F132 AromaticContact CD2-CE2 3.48Å; Y123-F132 HydrophobicContact CD2-CE2 3.48Å; Y123-F132 VanDerWaalsContact CD2-CE2 3.48Å; Y123-F132 AromaticContact CD2-CZ 3.77Å; Y123-F132 HydrophobicContact CD2-CZ 3.77Å; Y123-F132 HydrophobicContact CE2-CE2 4.07Å; Y123-F132 HydrophobicContact CE2-CZ 4.03Å; Y123-F132 HydrophobicContact CG-CD2 4.24Å; Y123-F132 AromaticContact CG-CE2 3.84Å; Y123-F132 HydrophobicContact CG-CE2 3.84Å
124	A	62.1	Low	67.8	Low	54 Å²	54	92.7 Å²	92.7	45%	0.446	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.2	-174.2	0	0	0	0	0	113.8	R120 L121	R120-A124 PolarHBondContact O-N 2.97Å; L121-A124 WeakPolarHBondContact O-CB 3.48Å; L121-A124 PolarHBondContact O-N 2.91Å
125	N	62.5	Low	66.2	Low	166 Å²	166	88.6 Å²	88.6	89%	0.888	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	2.2	-176.6	-64.1	-22.2	0	0	0	114	Y123	Y123-N125 PolarHBondContact O-N 3.47Å; Y123-N125 VanDerWaalsContact O-N 3.12Å
126	E	61.1	Low	64.9	Low	104 Å²	104	93.9 Å²	93.9	49%	0.486	47%	0.465	S	S	.	.	S	Bend	trans	-96.1	145.5	-178.8	-67.2	-170.6	-172.4	0	0	112.2	Y123 F128 S129	Y123-E126 HydrophobicContact CD1-CG 4.42Å; Y123-E126 VanDerWaalsContact CD1-OE2 3.27Å; Y123-E126 WeakPolarHBondContact CD1-OE2 3.44Å; Y123-E126 PolarHBondContact O-N 3.34Å; E126-F128 PolarHBondContact O-N 3.34Å; E126-S129 VanDerWaalsContact O-CB 3.25Å; E126-S129 WeakPolarHBondContact O-CB 3.31Å; E126-S129 PolarHBondContact O-N 2.83Å
127	E	56.9	Low	64	Low	191 Å²	191	96 Å²	96	89%	0.893	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.5	-179.6	-140.6	172.8	-171.7	0	0	112.4
128	F	53.6	Low	64	Low	129 Å²	129	96.6 Å²	96.6	57%	0.566	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	7.9	177.6	-73.8	-84.8	0	0	0	115.4	E126 Y130 I131	E126-F128 PolarHBondContact O-N 3.34Å; F128-Y130 AromaticContact CD1-CE1 3.92Å; F128-Y130 HydrophobicContact CD1-CE1 3.92Å; F128-Y130 PolarHBondContact O-N 3.41Å; F128-I131 PolarHBondContact O-N 2.99Å
129	S	51.6	Low	64.3	Low	11 Å²	11	93.4 Å²	93.4	8%	0.077	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-20.6	178	-178.5	0	0	0	0	114.6	E126 I131 F132 K133	E126-S129 VanDerWaalsContact O-CB 3.25Å; E126-S129 WeakPolarHBondContact O-CB 3.31Å; E126-S129 PolarHBondContact O-N 2.83Å; S129-I131 VanDerWaalsContact C-N 3.26Å; S129-I131 PolarHBondContact O-N 3.46Å; S129-F132 PolarHBondContact O-N 3.15Å; S129-F132 VanDerWaalsContact O-N 3.15Å; S129-K133 WeakPolarHBondContact O-CG 3.4Å; S129-K133 PolarHBondContact O-N 3.45Å; S129-K133 WeakPolarHBondContact OG-CE 3.41Å
130	Y	52.3	Low	64.9	Low	144 Å²	144	97.2 Å²	97.2	57%	0.565	48%	0.48	S	S	*	.	H	α-helix	trans	-59.8	-33.2	-179.9	77.8	-92.1	0	0	0	113.3	F128 F132 K133 V134	F128-Y130 AromaticContact CD1-CE1 3.92Å; F128-Y130 HydrophobicContact CD1-CE1 3.92Å; F128-Y130 PolarHBondContact O-N 3.41Å; Y130-F132 VanDerWaalsContact C-N 3.31Å; Y130-F132 PolarHBondContact O-N 2.9Å; Y130-K133 PolarHBondContact O-N 3.22Å; Y130-V134 WeakPolarHBondContact O-CG2 3.29Å
131	I	53.3	Low	65.6	Low	88 Å²	88	94 Å²	94	45%	0.451	47%	0.473	S	S	.	.	H	α-helix	trans	-63.5	-39.9	178.4	-63.1	173.9	0	0	0	110.3	F128 S129	F128-I131 PolarHBondContact O-N 2.99Å; S129-I131 VanDerWaalsContact C-N 3.26Å; S129-I131 PolarHBondContact O-N 3.46Å
132	F	55	Low	66.4	Low	45 Å²	45	88.7 Å²	88.7	20%	0.197	45%	0.446	C	S	.	.	H	α-helix	trans	-86.7	-20.8	-179.3	-63.8	-74.2	0	0	0	113.9	L119 R120 Y123 S129 Y130 V134 L135	L119-F132 HydrophobicContact CB-CD1 4.37Å; L119-F132 HydrophobicContact CB-CE1 4.01Å; L119-F132 HydrophobicContact CD1-CE1 4.44Å; R120-F132 HydrophobicContact CB-CB 4.23Å; R120-F132 HydrophobicContact CG-CB 4.23Å; Y123-F132 HydrophobicContact CD2-CD2 4.09Å; Y123-F132 AromaticContact CD2-CE2 3.48Å; Y123-F132 HydrophobicContact CD2-CE2 3.48Å; Y123-F132 VanDerWaalsContact CD2-CE2 3.48Å; Y123-F132 AromaticContact CD2-CZ 3.77Å; Y123-F132 HydrophobicContact CD2-CZ 3.77Å; Y123-F132 HydrophobicContact CE2-CE2 4.07Å; Y123-F132 HydrophobicContact CE2-CZ 4.03Å; Y123-F132 HydrophobicContact CG-CD2 4.24Å; Y123-F132 AromaticContact CG-CE2 3.84Å; Y123-F132 HydrophobicContact CG-CE2 3.84Å; S129-F132 PolarHBondContact O-N 3.15Å; S129-F132 VanDerWaalsContact O-N 3.15Å; Y130-F132 VanDerWaalsContact C-N 3.31Å; Y130-F132 PolarHBondContact O-N 2.9Å; F132-V134 VanDerWaalsContact C-N 3.32Å; F132-V134 PolarHBondContact O-N 3.3Å; F132-L135 HydrophobicContact CD1-CD1 4.49Å
133	K	52.7	Low	67.3	Low	135 Å²	135	85 Å²	85	59%	0.587	42%	0.42	S	S	*	.	H	α-helix	trans	-67.4	-30.3	175.9	-82.4	177.2	-179.5	172.4	0	113.1	S129 Y130	S129-K133 WeakPolarHBondContact O-CG 3.4Å; S129-K133 PolarHBondContact O-N 3.45Å; S129-K133 WeakPolarHBondContact OG-CE 3.41Å; Y130-K133 PolarHBondContact O-N 3.22Å
134	V	50.9	Low	68.5	Low	120 Å²	120	84.7 Å²	84.7	73%	0.727	42%	0.422	S	S	*	.	S	Bend	trans	-77.7	-24.1	-177.9	-179.9	0	0	0	0	112.3	Y130 F132 K136	Y130-V134 WeakPolarHBondContact O-CG2 3.29Å; F132-V134 VanDerWaalsContact C-N 3.32Å; F132-V134 PolarHBondContact O-N 3.3Å; V134-K136 PolarHBondContact O-N 3.5Å
135	L	55.6	Low	70	Confident	51 Å²	51	86.6 Å²	86.6	27%	0.267	42%	0.42	S	S	.	.	S	Bend	trans	-78.1	105.7	179.1	-68	167.8	0	0	0	110.5	F83 I116 F132 S137	F83-L135 HydrophobicContact CD1-CD2 3.97Å; F83-L135 HydrophobicContact CE1-CD2 3.93Å; I116-L135 HydrophobicContact CG2-CB 3.92Å; I116-L135 HydrophobicContact CG2-CD1 4.18Å; F132-L135 HydrophobicContact CD1-CD1 4.49Å; L135-S137 PolarHBondContact O-N 3.1Å
136	K	59.5	Low	71.5	Confident	164 Å²	164	78.7 Å²	78.7	71%	0.713	38%	0.378	S	S	*	.			trans	-66.1	114.6	169.4	-71.5	-174.8	-179.8	178.5	0	108.6	V134 N138 A141	V134-K136 PolarHBondContact O-N 3.5Å; K136-N138 PolarHBondContact O-N 3.14Å; K136-A141 HydrophobicContact CB-CB 4.12Å
137	S	65.8	Low	73.2	Confident	46 Å²	46	76.2 Å²	76.2	32%	0.322	37%	0.368	S	S	.	.			trans	-72.6	17.3	176.4	61.4	0	0	0	0	113.9	L135 S139	L135-S137 PolarHBondContact O-N 3.1Å; S137-S139 PolarHBondContact O-N 3.44Å
138	N	85.6	Confident	74.9	Confident	98 Å²	98	73.9 Å²	73.9	52%	0.524	36%	0.357	S	S	.	.			trans	-79.2	120.8	172.7	-179.9	-7.7	0	0	0	108.2	K136 R140 A141 V142	K136-N138 PolarHBondContact O-N 3.14Å; N138-R140 PolarHBondContact O-N 2.91Å; N138-R140 PolarHBondContact OD1-N 3.02Å; N138-A141 HydrophobicContact CB-CB 4.37Å; N138-A141 WeakPolarHBondContact O-CA 3.38Å; N138-A141 WeakPolarHBondContact O-CB 3.31Å; N138-A141 PolarHBondContact O-N 3.47Å; N138-V142 PolarHBondContact O-N 2.75Å
139	S	91.1	Very high	76.9	Confident	23 Å²	23	68.9 Å²	68.9	16%	0.161	34%	0.338	C	S	.	.	H	α-helix	trans	-46.1	-35.9	176.4	-55.8	0	0	0	0	113.8	A109 M110 S137 V142 A143 P164	A109-S139 WeakPolarHBondContact CB-O 3.19Å; M110-S139 WeakPolarHBondContact CA-OG 3.36Å; S137-S139 PolarHBondContact O-N 3.44Å; S139-V142 PolarHBondContact O-N 3.45Å; S139-A143 WeakPolarHBondContact O-CB 3.37Å; S139-A143 PolarHBondContact O-N 2.89Å; S139-P164 CarbonylContact C-O 3.53Å; S139-P164 WeakPolarHBondContact CB-O 3.36Å
140	R	93.1	Very high	79	Confident	100 Å²	100	69.4 Å²	69.4	38%	0.377	34%	0.34	S	S	.	.	H	α-helix	trans	-67.4	-43.2	175.7	-169.9	179.9	179.9	93.7	2.7	112.9	N138 V142 A143 E144 V161 G163	N138-R140 PolarHBondContact O-N 2.91Å; N138-R140 PolarHBondContact OD1-N 3.02Å; R140-V142 VanDerWaalsContact C-N 3.28Å; R140-V142 PolarHBondContact O-N 3.46Å; R140-A143 WeakPolarHBondContact O-CB 3.31Å; R140-A143 PolarHBondContact O-N 3.16Å; R140-E144 IonicContact NE-OE1 2.72Å; R140-E144 PolarHBondContact NE-OE1 3.41Å; R140-E144 WeakPolarHBondContact O-CG 3.45Å; R140-E144 PolarHBondContact O-N 3.27Å; R140-V161 HydrophobicContact CG-CG1 3.97Å; R140-G163 PolarHBondContact NH1-O 3.46Å
141	A	91.9	Very high	80.8	Confident	27 Å²	27	65 Å²	65	22%	0.223	33%	0.33	C	S	.	.	H	α-helix	trans	-66	-35.3	176.8	0	0	0	0	0	111.3	K136 N138 E144 K145	K136-A141 HydrophobicContact CB-CB 4.12Å; N138-A141 HydrophobicContact CB-CB 4.37Å; N138-A141 WeakPolarHBondContact O-CA 3.38Å; N138-A141 WeakPolarHBondContact O-CB 3.31Å; N138-A141 PolarHBondContact O-N 3.47Å; A141-E144 PolarHBondContact O-N 2.57Å; A141-K145 WeakPolarHBondContact O-CB 3.39Å; A141-K145 PolarHBondContact O-N 3.01Å
142	V	92.6	Very high	82.6	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.012	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-46.9	171.7	172	0	0	0	0	110.5	F83 A109 I112 A113 I116 N138 S139 R140 E144 K145 I146	F83-V142 HydrophobicContact CE2-CG1 3.79Å; F83-V142 HydrophobicContact CZ-CB 4.15Å; F83-V142 HydrophobicContact CZ-CG1 3.69Å; F83-V142 HydrophobicContact CZ-CG2 4.16Å; A109-V142 HydrophobicContact CB-CB 4.19Å; A109-V142 HydrophobicContact CB-CG1 3.86Å; A109-V142 WeakPolarHBondContact O-CG1 3.31Å; I112-V142 HydrophobicContact CB-CG1 3.94Å; I112-V142 HydrophobicContact CG2-CG1 3.67Å; A113-V142 HydrophobicContact CB-CG2 3.97Å; I116-V142 HydrophobicContact CD1-CG2 4.28Å; N138-V142 PolarHBondContact O-N 2.75Å; S139-V142 PolarHBondContact O-N 3.45Å; R140-V142 VanDerWaalsContact C-N 3.28Å; R140-V142 PolarHBondContact O-N 3.46Å; V142-E144 PolarHBondContact O-N 3.3Å; V142-K145 PolarHBondContact O-N 3.38Å; V142-I146 HydrophobicContact CG1-CD1 3.89Å; V142-I146 VanDerWaalsContact O-CG1 3.28Å; V142-I146 WeakPolarHBondContact O-CG1 3.5Å; V142-I146 PolarHBondContact O-N 2.93Å
143	A	95.4	Very high	84.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.2	-43.9	177.5	0	0	0	0	0	112.8	A109 S139 R140 K145 I146 L147 V161 G165 I167	A109-A143 HydrophobicContact CB-CB 3.73Å; S139-A143 WeakPolarHBondContact O-CB 3.37Å; S139-A143 PolarHBondContact O-N 2.89Å; R140-A143 WeakPolarHBondContact O-CB 3.31Å; R140-A143 PolarHBondContact O-N 3.16Å; A143-K145 VanDerWaalsContact C-N 3.32Å; A143-K145 PolarHBondContact O-N 3.01Å; A143-I146 PolarHBondContact O-N 3.13Å; A143-L147 WeakPolarHBondContact O-CB 3.1Å; A143-L147 PolarHBondContact O-N 2.99Å; A143-V161 HydrophobicContact CB-CG1 3.8Å; A143-V161 HydrophobicContact CB-CG2 4.23Å; A143-G165 WeakPolarHBondContact CB-O 3.39Å; A143-I167 HydrophobicContact CB-CD1 4.2Å; A143-I167 HydrophobicContact CB-CG1 3.92Å; A143-I167 WeakPolarHBondContact O-CD1 3Å
144	E	95.5	Very high	86.2	Confident	80 Å²	80	66.2 Å²	66.2	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-41.2	175.7	-72.9	168.1	-174	0	0	111.5	R140 A141 V142 L147 Q148 V161	R140-E144 IonicContact NE-OE1 2.72Å; R140-E144 PolarHBondContact NE-OE1 3.41Å; R140-E144 WeakPolarHBondContact O-CG 3.45Å; R140-E144 PolarHBondContact O-N 3.27Å; A141-E144 PolarHBondContact O-N 2.57Å; V142-E144 PolarHBondContact O-N 3.3Å; E144-L147 PolarHBondContact O-N 3.38Å; E144-Q148 VanDerWaalsContact O-CG 3.3Å; E144-Q148 WeakPolarHBondContact O-CG 3.41Å; E144-Q148 PolarHBondContact O-N 2.89Å; E144-V161 HydrophobicContact CG-CB 4.49Å; E144-V161 HydrophobicContact CG-CG1 4.47Å; E144-V161 HydrophobicContact CG-CG2 3.97Å
145	K	93.3	Very high	88.2	Confident	94 Å²	94	60.6 Å²	60.6	41%	0.409	32%	0.317	S	S	.	.	H	α-helix	trans	-68.3	-38.1	178	-170.9	61.6	177.8	175.1	0	112.6	A82 F83 A141 V142 A143 S149	A82-K145 HydrophobicContact CB-CG 3.93Å; F83-K145 HydrophobicContact CE1-CG 4.34Å; F83-K145 HydrophobicContact CZ-CB 4.09Å; F83-K145 HydrophobicContact CZ-CG 4.13Å; A141-K145 WeakPolarHBondContact O-CB 3.39Å; A141-K145 PolarHBondContact O-N 3.01Å; V142-K145 PolarHBondContact O-N 3.38Å; A143-K145 VanDerWaalsContact C-N 3.32Å; A143-K145 PolarHBondContact O-N 3.01Å; K145-S149 PolarHBondContact O-N 3.45Å; K145-S149 PolarHBondContact O-OG 3.38Å
146	I	95.1	Very high	90.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-51.4	172.2	-66.7	165.7	0	0	0	109.4	F75 A78 V79 A82 F83 A109 I112 V142 A143 Q148 S149 V150 I167	F75-I146 HydrophobicContact CD1-CG2 3.75Å; F75-I146 HydrophobicContact CE1-CG2 4.05Å; A78-I146 HydrophobicContact CB-CG2 4.16Å; V79-I146 HydrophobicContact CG2-CD1 3.82Å; V79-I146 HydrophobicContact CG2-CG1 3.89Å; V79-I146 HydrophobicContact CG2-CG2 4.19Å; A82-I146 HydrophobicContact CB-CG1 4.5Å; F83-I146 HydrophobicContact CE2-CD1 4.29Å; F83-I146 HydrophobicContact CE2-CG1 3.82Å; A109-I146 HydrophobicContact CB-CD1 4.41Å; I112-I146 HydrophobicContact CD1-CD1 3.82Å; V142-I146 HydrophobicContact CG1-CD1 3.89Å; V142-I146 VanDerWaalsContact O-CG1 3.28Å; V142-I146 WeakPolarHBondContact O-CG1 3.5Å; V142-I146 PolarHBondContact O-N 2.93Å; A143-I146 PolarHBondContact O-N 3.13Å; I146-Q148 VanDerWaalsContact C-N 3.29Å; I146-Q148 PolarHBondContact O-N 3.25Å; I146-S149 CarbonylContact O-C 3.59Å; I146-S149 WeakPolarHBondContact O-CA 3.49Å; I146-S149 WeakPolarHBondContact O-CB 3.5Å; I146-S149 PolarHBondContact O-N 3.27Å; I146-V150 HydrophobicContact CG2-CG2 4.45Å; I146-V150 WeakPolarHBondContact O-CG2 3.34Å; I146-V150 PolarHBondContact O-N 3.43Å; I146-V150 VanDerWaalsContact O-N 3.11Å; I146-I167 HydrophobicContact CB-CD1 3.9Å; I146-I167 HydrophobicContact CG2-CD1 3.72Å
147	L	95.4	Very high	91.8	Very high	53 Å²	53	58.2 Å²	58.2	28%	0.277	31%	0.305	S	S	.	.	H	α-helix	trans	-54.8	-43.7	-179.6	-176.8	154.3	0	0	0	111.9	A143 E144 S149 V150 L159 V161 I167	A143-L147 WeakPolarHBondContact O-CB 3.1Å; A143-L147 PolarHBondContact O-N 2.99Å; E144-L147 PolarHBondContact O-N 3.38Å; L147-S149 PolarHBondContact O-N 3.11Å; L147-V150 PolarHBondContact O-N 3.28Å; L147-L159 HydrophobicContact CD1-CB 3.7Å; L147-L159 HydrophobicContact CG-CB 4.01Å; L147-L159 HydrophobicContact CG-CD1 4.36Å; L147-V161 HydrophobicContact CB-CG2 4.37Å; L147-V161 HydrophobicContact CD1-CG2 3.77Å; L147-I167 HydrophobicContact CD1-CG2 4.32Å
148	Q	94.4	Very high	93.3	Very high	142 Å²	142	60.7 Å²	60.7	66%	0.664	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.2	175.8	-72.8	171.9	5.9	0	0	114.1	E144 I146	E144-Q148 VanDerWaalsContact O-CG 3.3Å; E144-Q148 WeakPolarHBondContact O-CG 3.41Å; E144-Q148 PolarHBondContact O-N 2.89Å; I146-Q148 VanDerWaalsContact C-N 3.29Å; I146-Q148 PolarHBondContact O-N 3.25Å
149	S	95.1	Very high	93.9	Very high	24 Å²	24	58 Å²	58	17%	0.168	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-4.3	-175.2	-53	0	0	0	0	113	A78 K145 I146 L147 P151	A78-S149 WeakPolarHBondContact CA-O 3.44Å; A78-S149 VanDerWaalsContact O-CB 3.28Å; A78-S149 WeakPolarHBondContact O-CB 3.41Å; K145-S149 PolarHBondContact O-N 3.45Å; K145-S149 PolarHBondContact O-OG 3.38Å; I146-S149 CarbonylContact O-C 3.59Å; I146-S149 WeakPolarHBondContact O-CA 3.49Å; I146-S149 WeakPolarHBondContact O-CB 3.5Å; I146-S149 PolarHBondContact O-N 3.27Å; L147-S149 PolarHBondContact O-N 3.11Å; S149-P151 WeakPolarHBondContact O-CD 3.46Å
150	V	94.5	Very high	94.1	Very high	21 Å²	21	61.1 Å²	61.1	13%	0.127	31%	0.307	C	S	.	.	S	Bend	trans	-67.6	121.4	177	178.8	0	0	0	0	109.4	L74 F75 A78 I146 L147 L159	L74-V150 HydrophobicContact CD2-CG1 3.55Å; L74-V150 HydrophobicContact CG-CG1 3.87Å; F75-V150 HydrophobicContact CD1-CG2 4.23Å; F75-V150 HydrophobicContact CE1-CG2 3.93Å; F75-V150 HydrophobicContact CZ-CG2 4.15Å; A78-V150 HydrophobicContact CB-CB 4.26Å; A78-V150 HydrophobicContact CB-CG2 3.68Å; I146-V150 HydrophobicContact CG2-CG2 4.45Å; I146-V150 WeakPolarHBondContact O-CG2 3.34Å; I146-V150 PolarHBondContact O-N 3.43Å; I146-V150 VanDerWaalsContact O-N 3.11Å; L147-V150 PolarHBondContact O-N 3.28Å; V150-L159 HydrophobicContact CB-CD1 3.9Å; V150-L159 HydrophobicContact CG1-CD1 3.89Å; V150-L159 HydrophobicContact CG2-CD1 3.91Å
151	P	91.2	Very high	94.3	Very high	53 Å²	53	57.2 Å²	57.2	34%	0.344	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-60.9	140.6	175.6	-21.1	32	0	0	0	112.1	L74 S149 N153	L74-P151 HydrophobicContact CD1-CB 3.87Å; L74-P151 HydrophobicContact CD1-CG 3.9Å; S149-P151 WeakPolarHBondContact O-CD 3.46Å; P151-N153 PolarHBondContact O-ND2 2.98Å; P151-N153 VanDerWaalsContact O-ND2 3.15Å
152	S	90.2	Very high	94.3	Very high	124 Å²	124	57 Å²	57	87%	0.867	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-60	139.5	172.7	54.5	0	0	0	0	111
153	N	91.3	Very high	94.2	Very high	40 Å²	40	59.3 Å²	59.3	21%	0.214	32%	0.317	C	S	.	.			trans	-156.1	163.6	178.9	65.5	91.7	0	0	0	110	F70 L74 P151 L155 I156	F70-N153 HydrophobicContact CE1-CB 4.37Å; F70-N153 HydrophobicContact CZ-CB 4.15Å; L74-N153 WeakPolarHBondContact CD2-ND2 3.5Å; P151-N153 PolarHBondContact O-ND2 2.98Å; P151-N153 VanDerWaalsContact O-ND2 3.15Å; N153-L155 WeakPolarHBondContact OD1-CB 3.42Å; N153-L155 PolarHBondContact OD1-N 3.06Å; N153-L155 VanDerWaalsContact OD1-N 3.14Å; N153-I156 WeakPolarHBondContact OD1-CG1 3.47Å; N153-I156 PolarHBondContact OD1-N 2.93Å; N153-I156 VanDerWaalsContact OD1-N 3.1Å
154	E	92.1	Very high	93.8	Very high	129 Å²	129	62.5 Å²	62.5	60%	0.603	34%	0.338	S	S	*	.	S	Bend	trans	-73.9	-29.4	-176.6	-63.4	178	171.5	0	0	113.4	I156 N172 D175 R178	E154-I156 PolarHBondContact O-N 2.85Å; E154-N172 WeakPolarHBondContact O-CB 3.48Å; E154-N172 PolarHBondContact O-ND2 2.93Å; E154-D175 HydrophobicContact CB-CB 4.4Å; E154-R178 IonicContact OE2-NE 3.61Å; E154-R178 IonicContact OE2-NH2 2.68Å
155	L	93.1	Very high	93.6	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	32%	0.322	C	S	.	.	S	Bend	trans	-69.4	-31.2	-173.5	177.8	67.5	0	0	0	113.3	V67 F70 L71 N153 L171 N172 D175 V176	V67-L155 HydrophobicContact CG1-CD2 4.21Å; F70-L155 HydrophobicContact CD1-CD2 3.43Å; F70-L155 VanDerWaalsContact CD1-CD2 3.43Å; F70-L155 HydrophobicContact CE1-CB 4.15Å; F70-L155 HydrophobicContact CE1-CD2 3.82Å; F70-L155 HydrophobicContact CG-CD2 4.44Å; L71-L155 HydrophobicContact CD2-CD2 4.16Å; L71-L155 HydrophobicContact CG-CD2 4.36Å; N153-L155 WeakPolarHBondContact OD1-CB 3.42Å; N153-L155 PolarHBondContact OD1-N 3.06Å; N153-L155 VanDerWaalsContact OD1-N 3.14Å; L155-L171 HydrophobicContact CD1-CD2 3.92Å; L155-L171 HydrophobicContact CD2-CD2 4.47Å; L155-L171 HydrophobicContact CG-CD2 3.94Å; L155-L171 CarbonylContact O-C 3.55Å; L155-L171 WeakPolarHBondContact O-CA 3.48Å; L155-N172 PolarHBondContact O-N 2.97Å; L155-D175 VanDerWaalsContact CA-OD2 3.29Å; L155-D175 WeakPolarHBondContact CA-OD2 3.39Å; L155-D175 WeakPolarHBondContact CB-OD2 3.42Å; L155-D175 VanDerWaalsContact CD1-OD2 3.31Å; L155-D175 WeakPolarHBondContact CD1-OD2 3.18Å; L155-V176 HydrophobicContact CD1-CG2 4.49Å
156	I	95.9	Very high	93.6	Very high	22 Å²	22	57.8 Å²	57.8	11%	0.113	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116	-173.9	-61	178.1	0	0	0	110.2	L71 L74 N153 E154 L159 I169	L71-I156 HydrophobicContact CD2-CD1 3.69Å; L71-I156 HydrophobicContact CD2-CG1 3.93Å; L74-I156 HydrophobicContact CD2-CD1 3.5Å; L74-I156 VanDerWaalsContact CD2-CD1 3.5Å; N153-I156 WeakPolarHBondContact OD1-CG1 3.47Å; N153-I156 PolarHBondContact OD1-N 2.93Å; N153-I156 VanDerWaalsContact OD1-N 3.1Å; E154-I156 PolarHBondContact O-N 2.85Å; I156-L159 HydrophobicContact CD1-CD2 4.22Å; I156-L159 HydrophobicContact CG2-CD2 3.75Å; I156-L159 HydrophobicContact CG2-CG 3.78Å; I156-I169 HydrophobicContact CD1-CG2 4.19Å; I156-I169 HydrophobicContact CG1-CG2 4.06Å; I156-I169 HydrophobicContact CG2-CG2 4.37Å
157	K	96	Very high	93.8	Very high	143 Å²	143	57.9 Å²	57.9	62%	0.622	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	-46.8	172.3	178.7	171.9	-176.4	168.9	0	112	Y170 L171 N172	K157-Y170 WeakPolarHBondContact CB-O 3.38Å; K157-Y170 PolarHBondContact N-O 2.76Å; K157-L171 WeakPolarHBondContact CB-O 3.38Å; K157-N172 HydrophobicContact CB-CB 4.25Å
158	K	96.2	Very high	93.9	Very high	98 Å²	98	55.5 Å²	55.5	43%	0.426	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	155.3	177.1	66.3	171.3	-169.5	162.5	0	111.9	E160 Y170	K158-E160 IonicContact NZ-OE2 2.65Å; K158-Y170 HydrophobicContact CD-CD2 4.08Å; K158-Y170 HydrophobicContact CD-CE2 4.46Å; K158-Y170 HydrophobicContact CD-CG 4.31Å; K158-Y170 VanDerWaalsContact CE-CE2 3.46Å; K158-Y170 HydrophobicContact CG-CD2 3.57Å; K158-Y170 HydrophobicContact CG-CE2 4.38Å; K158-Y170 HydrophobicContact CG-CG 3.77Å; K158-Y170 PolarHBondContact N-O 2.99Å; K158-Y170 PolarHBondContact O-N 3.3Å
159	L	97.5	Very high	94	Very high	41 Å²	41	48.8 Å²	48.8	22%	0.215	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.9	171	-63.8	174.9	0	0	0	109.4	F75 L147 V150 I156 I167 N168 I169	F75-L159 HydrophobicContact CZ-CD1 4.48Å; F75-L159 HydrophobicContact CZ-CD2 4.04Å; L147-L159 HydrophobicContact CD1-CB 3.7Å; L147-L159 HydrophobicContact CG-CB 4.01Å; L147-L159 HydrophobicContact CG-CD1 4.36Å; V150-L159 HydrophobicContact CB-CD1 3.9Å; V150-L159 HydrophobicContact CG1-CD1 3.89Å; V150-L159 HydrophobicContact CG2-CD1 3.91Å; I156-L159 HydrophobicContact CD1-CD2 4.22Å; I156-L159 HydrophobicContact CG2-CD2 3.75Å; I156-L159 HydrophobicContact CG2-CG 3.78Å; L159-I167 HydrophobicContact CB-CG2 4.21Å; L159-I167 HydrophobicContact CD2-CG2 4.17Å; L159-N168 WeakPolarHBondContact CA-O 3.31Å; L159-I169 HydrophobicContact CD2-CB 4.08Å; L159-I169 HydrophobicContact CD2-CG1 3.72Å; L159-I169 HydrophobicContact CD2-CG2 3.99Å
160	E	97	Very high	94.1	Very high	89 Å²	89	49.6 Å²	49.6	42%	0.416	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	128.4	179.2	-173.8	178.6	156.2	0	0	111.5	K158 A162 I167 N168 Y170	K158-E160 IonicContact NZ-OE2 2.65Å; E160-A162 PolarHBondContact O-N 3.3Å; E160-I167 CarbonylContact O-C 3.53Å; E160-I167 WeakPolarHBondContact O-CA 3.45Å; E160-N168 HydrophobicContact CB-CB 4.35Å; E160-N168 PolarHBondContact N-O 2.78Å; E160-N168 PolarHBondContact O-N 2.91Å; E160-Y170 HydrophobicContact CB-CE2 4.47Å
161	V	96	Very high	94.2	Very high	19 Å²	19	49 Å²	49	12%	0.115	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.7	173.4	-177.2	0	0	0	0	110.1	R140 A143 E144 L147 F166 I167	R140-V161 HydrophobicContact CG-CG1 3.97Å; A143-V161 HydrophobicContact CB-CG1 3.8Å; A143-V161 HydrophobicContact CB-CG2 4.23Å; E144-V161 HydrophobicContact CG-CB 4.49Å; E144-V161 HydrophobicContact CG-CG1 4.47Å; E144-V161 HydrophobicContact CG-CG2 3.97Å; L147-V161 HydrophobicContact CB-CG2 4.37Å; L147-V161 HydrophobicContact CD1-CG2 3.77Å; V161-F166 CarbonylContact C-O 3.49Å; V161-F166 WeakPolarHBondContact CA-O 3.35Å; V161-I167 HydrophobicContact CG2-CG1 4.49Å
162	A	93.4	Very high	94.4	Very high	21 Å²	21	48.6 Å²	48.6	17%	0.174	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	152	179.9	0	0	0	0	0	112.4	E160 G165 F166	E160-A162 PolarHBondContact O-N 3.3Å; A162-G165 PolarHBondContact O-N 3.03Å; A162-F166 PolarHBondContact N-O 3.22Å; A162-F166 PolarHBondContact O-N 2.9Å
163	G	89.3	Confident	94.6	Very high	51 Å²	51	46.2 Å²	46.2	53%	0.526	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-136.9	173.3	0	0	0	0	0	114.1	R140 G165	R140-G163 PolarHBondContact NH1-O 3.46Å; G163-G165 PolarHBondContact O-N 3.46Å; G163-G165 VanDerWaalsContact O-N 3.12Å
164	P	87.6	Confident	94.6	Very high	68 Å²	68	51.6 Å²	51.6	44%	0.442	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	13.4	-177.5	33.8	-37.5	0	0	0	114.1	M110 S139 F166	M110-P164 HydrophobicContact CE-CG 4.31Å; S139-P164 CarbonylContact C-O 3.53Å; S139-P164 WeakPolarHBondContact CB-O 3.36Å; P164-F166 HydrophobicContact CG-CD2 4.16Å; P164-F166 HydrophobicContact CG-CE2 3.67Å; P164-F166 HydrophobicContact CG-CZ 4.2Å
165	G	90.7	Very high	94.6	Very high	4 Å²	4	45.7 Å²	45.7	4%	0.041	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.3	27.4	-178.4	0	0	0	0	0	114.5	A109 A143 A162 G163	A109-G165 WeakPolarHBondContact CB-O 3.49Å; A143-G165 WeakPolarHBondContact CB-O 3.39Å; A162-G165 PolarHBondContact O-N 3.03Å; G163-G165 PolarHBondContact O-N 3.46Å; G163-G165 VanDerWaalsContact O-N 3.12Å
166	F	94.9	Very high	94.6	Very high	71 Å²	71	45.7 Å²	45.7	31%	0.311	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	147.3	165	-58.7	-62.3	0	0	0	109.3	N107 V161 A162 P164	N107-F166 HydrophobicContact CB-CD1 4.23Å; N107-F166 HydrophobicContact CB-CE1 4.3Å; N107-F166 WeakPolarHBondContact OD1-CD1 3.44Å; V161-F166 CarbonylContact C-O 3.49Å; V161-F166 WeakPolarHBondContact CA-O 3.35Å; A162-F166 PolarHBondContact N-O 3.22Å; A162-F166 PolarHBondContact O-N 2.9Å; P164-F166 HydrophobicContact CG-CD2 4.16Å; P164-F166 HydrophobicContact CG-CE2 3.67Å; P164-F166 HydrophobicContact CG-CZ 4.2Å
167	I	97.7	Very high	94.5	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	105.9	171.6	-54.1	167.7	0	0	0	107.5	F75 Q105 C106 A143 I146 L147 L159 E160 V161	F75-I167 HydrophobicContact CE1-CB 4.29Å; F75-I167 HydrophobicContact CE1-CD1 3.8Å; F75-I167 HydrophobicContact CE1-CG2 4.1Å; F75-I167 HydrophobicContact CZ-CG2 4.07Å; Q105-I167 CarbonylContact C-O 3.55Å; Q105-I167 VanDerWaalsContact CA-O 3.31Å; Q105-I167 WeakPolarHBondContact CA-O 3.38Å; C106-I167 HydrophobicContact CB-CB 4.13Å; C106-I167 PolarHBondContact N-O 2.83Å; C106-I167 PolarHBondContact O-N 3.44Å; A143-I167 HydrophobicContact CB-CD1 4.2Å; A143-I167 HydrophobicContact CB-CG1 3.92Å; A143-I167 WeakPolarHBondContact O-CD1 3Å; I146-I167 HydrophobicContact CB-CD1 3.9Å; I146-I167 HydrophobicContact CG2-CD1 3.72Å; L147-I167 HydrophobicContact CD1-CG2 4.32Å; L159-I167 HydrophobicContact CB-CG2 4.21Å; L159-I167 HydrophobicContact CD2-CG2 4.17Å; E160-I167 CarbonylContact O-C 3.53Å; E160-I167 WeakPolarHBondContact O-CA 3.45Å; V161-I167 HydrophobicContact CG2-CG1 4.49Å
168	N	97.8	Very high	94.4	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	135.9	175.4	-66.3	-8.2	0	0	0	109.5	F101 Q105 L159 E160 Y170	F101-N168 WeakPolarHBondContact O-CB 3.38Å; F101-N168 PolarHBondContact O-OD1 3.3Å; Q105-N168 PolarHBondContact NE2-OD1 3.42Å; L159-N168 WeakPolarHBondContact CA-O 3.31Å; E160-N168 HydrophobicContact CB-CB 4.35Å; E160-N168 PolarHBondContact N-O 2.78Å; E160-N168 PolarHBondContact O-N 2.91Å; N168-Y170 HydrophobicContact CB-CE2 3.84Å
169	I	97.7	Very high	94.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.4	-174.4	-51.4	168.5	0	0	0	107.6	L71 F75 I93 D103 Y104 I156 L159	L71-I169 HydrophobicContact CD1-CD1 4.19Å; L71-I169 HydrophobicContact CD1-CG2 4.32Å; L71-I169 HydrophobicContact CD2-CD1 4.47Å; L71-I169 HydrophobicContact CD2-CG2 4.06Å; F75-I169 HydrophobicContact CD2-CD1 4.4Å; F75-I169 HydrophobicContact CE2-CD1 3.5Å; F75-I169 VanDerWaalsContact CE2-CD1 3.5Å; F75-I169 HydrophobicContact CE2-CG1 4.12Å; F75-I169 HydrophobicContact CZ-CD1 3.78Å; F75-I169 HydrophobicContact CZ-CG1 4.03Å; I93-I169 HydrophobicContact CD1-CD1 4.32Å; D103-I169 PolarHBondContact N-O 2.97Å; Y104-I169 PolarHBondContact N-O 2.93Å; Y104-I169 VanDerWaalsContact N-O 3.16Å; Y104-I169 WeakPolarHBondContact O-CA 3.2Å; Y104-I169 WeakPolarHBondContact O-CB 3.29Å; Y104-I169 PolarHBondContact O-N 2.85Å; I156-I169 HydrophobicContact CD1-CG2 4.19Å; I156-I169 HydrophobicContact CG1-CG2 4.06Å; I156-I169 HydrophobicContact CG2-CG2 4.37Å; L159-I169 HydrophobicContact CD2-CB 4.08Å; L159-I169 HydrophobicContact CD2-CG1 3.72Å; L159-I169 HydrophobicContact CD2-CG2 3.99Å
170	Y	97.1	Very high	94	Very high	42 Å²	42	36.6 Å²	36.6	17%	0.165	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.4	176.7	-62	-103.3	0	0	0	108.3	S100 G102 K157 K158 E160 N168	S100-Y170 PolarHBondContact O-OH 3.28Å; G102-Y170 VanDerWaalsContact CA-CD1 3.49Å; K157-Y170 WeakPolarHBondContact CB-O 3.38Å; K157-Y170 PolarHBondContact N-O 2.76Å; K158-Y170 HydrophobicContact CD-CD2 4.08Å; K158-Y170 HydrophobicContact CD-CE2 4.46Å; K158-Y170 HydrophobicContact CD-CG 4.31Å; K158-Y170 VanDerWaalsContact CE-CE2 3.46Å; K158-Y170 HydrophobicContact CG-CD2 3.57Å; K158-Y170 HydrophobicContact CG-CE2 4.38Å; K158-Y170 HydrophobicContact CG-CG 3.77Å; K158-Y170 PolarHBondContact N-O 2.99Å; K158-Y170 PolarHBondContact O-N 3.3Å; E160-Y170 HydrophobicContact CB-CE2 4.47Å; N168-Y170 HydrophobicContact CB-CE2 3.84Å
171	L	96	Very high	93.9	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.047	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	151.2	179.9	-58.2	-175.4	0	0	0	111.5	V67 D103 Y104 L155 K157 V176 W576	V67-L171 HydrophobicContact CG1-CD2 4.33Å; D103-L171 HydrophobicContact CB-CD1 4.23Å; D103-L171 HydrophobicContact CB-CG 3.85Å; D103-L171 PolarHBondContact OD2-N 3.31Å; Y104-L171 HydrophobicContact CD2-CD2 4.2Å; Y104-L171 HydrophobicContact CE2-CD1 4.1Å; Y104-L171 HydrophobicContact CE2-CD2 4.35Å; Y104-L171 HydrophobicContact CE2-CG 4.49Å; L155-L171 HydrophobicContact CD1-CD2 3.92Å; L155-L171 HydrophobicContact CD2-CD2 4.47Å; L155-L171 HydrophobicContact CG-CD2 3.94Å; L155-L171 CarbonylContact O-C 3.55Å; L155-L171 WeakPolarHBondContact O-CA 3.48Å; K157-L171 WeakPolarHBondContact CB-O 3.38Å; L171-V176 HydrophobicContact CB-CG2 3.79Å; L171-V176 HydrophobicContact CD1-CG2 3.69Å; L171-V176 HydrophobicContact CG-CG2 4.38Å; L171-W576 HydrophobicContact CB-CH2 4.35Å; L171-W576 HydrophobicContact CB-CZ2 4.46Å
172	N	94.8	Very high	93.7	Very high	43 Å²	43	35.8 Å²	35.8	23%	0.23	19%	0.188	C	C	.	.			trans	-79.9	126.5	169.4	-171	-29.9	0	0	0	109.8	E154 L155 K157 E174 D175 V176	E154-N172 WeakPolarHBondContact O-CB 3.48Å; E154-N172 PolarHBondContact O-ND2 2.93Å; L155-N172 PolarHBondContact O-N 2.97Å; K157-N172 HydrophobicContact CB-CB 4.25Å; N172-E174 PolarHBondContact OD1-N 2.87Å; N172-D175 HydrophobicContact CB-CB 4.2Å; N172-D175 PolarHBondContact O-N 3.47Å; N172-V176 WeakPolarHBondContact O-CB 3.25Å; N172-V176 VanDerWaalsContact O-CG2 3.31Å; N172-V176 WeakPolarHBondContact O-CG2 3.39Å; N172-V176 PolarHBondContact O-N 3.48Å
173	E	93.8	Very high	93.7	Very high	74 Å²	74	35.6 Å²	35.6	35%	0.346	18%	0.184	S	C	.	.	H	α-helix	trans	-63.7	-40.9	-178.1	-171.9	172.1	159.7	0	0	112.7	V176 L177 L570 W576	E173-V176 PolarHBondContact O-N 3.48Å; E173-L177 WeakPolarHBondContact O-CB 3.41Å; E173-L177 PolarHBondContact O-N 3Å; E173-L570 HydrophobicContact CG-CD1 4.3Å; E173-L570 WeakPolarHBondContact OE1-CB 3.28Å; E173-W576 HydrophobicContact CB-CH2 4.13Å; E173-W576 HydrophobicContact CB-CZ3 4.02Å; E173-W576 HydrophobicContact CG-CE3 3.89Å; E173-W576 HydrophobicContact CG-CH2 4.38Å; E173-W576 HydrophobicContact CG-CZ3 3.8Å
174	E	92.6	Very high	94	Very high	154 Å²	154	33.3 Å²	33.3	72%	0.72	16%	0.159	S	C	*	.	H	α-helix	trans	-64.1	-44.2	179	-64.9	174.6	-176.5	0	0	110.9	N172 L177 R178	N172-E174 PolarHBondContact OD1-N 2.87Å; E174-L177 PolarHBondContact O-N 3.28Å; E174-R178 VanDerWaalsContact O-CB 3.31Å; E174-R178 WeakPolarHBondContact O-CB 3.5Å; E174-R178 PolarHBondContact O-N 3.41Å
175	D	92.1	Very high	94.2	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.027	15%	0.145	C	C	.	.	H	α-helix	trans	-69.7	-40.4	179.3	-169.7	63.5	0	0	0	112.3	E154 L155 N172 R178 R179	E154-D175 HydrophobicContact CB-CB 4.4Å; L155-D175 VanDerWaalsContact CA-OD2 3.29Å; L155-D175 WeakPolarHBondContact CA-OD2 3.39Å; L155-D175 WeakPolarHBondContact CB-OD2 3.42Å; L155-D175 VanDerWaalsContact CD1-OD2 3.31Å; L155-D175 WeakPolarHBondContact CD1-OD2 3.18Å; N172-D175 HydrophobicContact CB-CB 4.2Å; N172-D175 PolarHBondContact O-N 3.47Å; D175-R178 WeakPolarHBondContact O-CB 3.5Å; D175-R178 PolarHBondContact O-N 2.68Å; D175-R178 IonicContact OD1-CZ 3.22Å; D175-R178 VanDerWaalsContact OD1-CZ 3.31Å; D175-R178 IonicContact OD1-NE 3.65Å; D175-R178 PolarHBondContact OD1-NE 2.84Å; D175-R178 IonicContact OD1-NH2 2.67Å; D175-R178 PolarHBondContact OD1-NH2 3.47Å; D175-R179 VanDerWaalsContact O-CG 3.28Å; D175-R179 WeakPolarHBondContact O-CG 3.32Å; D175-R179 PolarHBondContact O-N 3.09Å; D175-R179 IonicContact OD1-NE 2.71Å; D175-R179 IonicContact OD2-CZ 3.93Å; D175-R179 IonicContact OD2-NE 2.96Å; D175-R179 PolarHBondContact OD2-NE 3.2Å; D175-R179 IonicContact OD2-NH2 3.23Å; D175-R179 PolarHBondContact OD2-NH2 2.91Å
176	V	93.6	Very high	94.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-46.3	174.9	166	0	0	0	0	110.5	L155 L171 N172 E173 R179 V180 W576 A579 K580 L583	L155-V176 HydrophobicContact CD1-CG2 4.49Å; L171-V176 HydrophobicContact CB-CG2 3.79Å; L171-V176 HydrophobicContact CD1-CG2 3.69Å; L171-V176 HydrophobicContact CG-CG2 4.38Å; N172-V176 WeakPolarHBondContact O-CB 3.25Å; N172-V176 VanDerWaalsContact O-CG2 3.31Å; N172-V176 WeakPolarHBondContact O-CG2 3.39Å; N172-V176 PolarHBondContact O-N 3.48Å; E173-V176 PolarHBondContact O-N 3.48Å; V176-R179 PolarHBondContact O-N 2.66Å; V176-V180 WeakPolarHBondContact O-CG2 3.31Å; V176-V180 PolarHBondContact O-N 3.49Å; V176-W576 HydrophobicContact CB-CH2 3.72Å; V176-W576 HydrophobicContact CB-CZ3 3.56Å; V176-W576 HydrophobicContact CG1-CE3 4.36Å; V176-W576 HydrophobicContact CG1-CH2 3.9Å; V176-W576 HydrophobicContact CG1-CZ3 3.43Å; V176-W576 VanDerWaalsContact CG1-CZ3 3.43Å; V176-W576 HydrophobicContact CG2-CH2 3.68Å; V176-W576 HydrophobicContact CG2-CZ3 4.06Å; V176-A579 HydrophobicContact CG1-CB 4.29Å; V176-K580 HydrophobicContact CG1-CG 4.49Å; V176-L583 HydrophobicContact CB-CD2 4.12Å; V176-L583 HydrophobicContact CG1-CD2 3.9Å; V176-L583 HydrophobicContact CG2-CD2 3.7Å
177	L	93.6	Very high	94.1	Very high	14 Å²	14	32.8 Å²	32.8	7%	0.073	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-45.4	176.8	177.8	57.3	0	0	0	111.4	E173 E174 R179 V180 L181 V568 L570	E173-L177 WeakPolarHBondContact O-CB 3.41Å; E173-L177 PolarHBondContact O-N 3Å; E174-L177 PolarHBondContact O-N 3.28Å; L177-R179 PolarHBondContact O-N 3Å; L177-V180 PolarHBondContact O-N 2.83Å; L177-L181 HydrophobicContact CD1-CD1 4.38Å; L177-L181 HydrophobicContact CD1-CD2 4.45Å; L177-L181 HydrophobicContact CD1-CG 4.07Å; L177-L181 HydrophobicContact CG-CD1 4.18Å; L177-L181 HydrophobicContact CG-CG 4.33Å; L177-L181 WeakPolarHBondContact O-CG 3.17Å; L177-L181 PolarHBondContact O-N 2.88Å; L177-V568 HydrophobicContact CD1-CG1 4.09Å; L177-V568 HydrophobicContact CD2-CB 4.17Å; L177-V568 HydrophobicContact CD2-CG1 4.04Å; L177-V568 WeakPolarHBondContact CD2-O 3.37Å; L177-L570 HydrophobicContact CB-CD1 4.45Å; L177-L570 HydrophobicContact CD1-CD2 4.06Å; L177-L570 HydrophobicContact CD1-CG 4.29Å; L177-L570 HydrophobicContact CD2-CG 4.23Å
178	R	92.3	Very high	93.9	Very high	84 Å²	84	33.6 Å²	33.6	32%	0.317	17%	0.167	S	C	.	.	H	α-helix	trans	-53.2	-42.7	175.6	-174.2	-177.2	67.4	74	0.3	111.8	N63 E154 E174 D175 L181 E182	N63-R178 PolarHBondContact ND2-NH1 2.93Å; N63-R178 PolarHBondContact OD1-NH1 2.92Å; N63-R178 PolarHBondContact OD1-NH2 3.41Å; E154-R178 IonicContact OE2-NE 3.61Å; E154-R178 IonicContact OE2-NH2 2.68Å; E174-R178 VanDerWaalsContact O-CB 3.31Å; E174-R178 WeakPolarHBondContact O-CB 3.5Å; E174-R178 PolarHBondContact O-N 3.41Å; D175-R178 WeakPolarHBondContact O-CB 3.5Å; D175-R178 PolarHBondContact O-N 2.68Å; D175-R178 IonicContact OD1-CZ 3.22Å; D175-R178 VanDerWaalsContact OD1-CZ 3.31Å; D175-R178 IonicContact OD1-NE 3.65Å; D175-R178 PolarHBondContact OD1-NE 2.84Å; D175-R178 IonicContact OD1-NH2 2.67Å; D175-R178 PolarHBondContact OD1-NH2 3.47Å; R178-L181 PolarHBondContact O-N 2.81Å; R178-E182 WeakPolarHBondContact O-CB 3Å; R178-E182 PolarHBondContact O-N 3.41Å
179	R	92.5	Very high	93.4	Very high	16 Å²	16	38.6 Å²	38.6	6%	0.06	19%	0.188	C	C	.	.	H	α-helix	trans	-68.9	-39	176.6	-67.9	165	179.6	-83.6	-2.3	112.9	S62 D175 V176 L177 L181 E182 M183 L583	S62-R179 VanDerWaalsContact O-CZ 3.26Å; S62-R179 PolarHBondContact O-NH1 3.09Å; S62-R179 PolarHBondContact O-NH2 3.27Å; D175-R179 VanDerWaalsContact O-CG 3.28Å; D175-R179 WeakPolarHBondContact O-CG 3.32Å; D175-R179 PolarHBondContact O-N 3.09Å; D175-R179 IonicContact OD1-NE 2.71Å; D175-R179 IonicContact OD2-CZ 3.93Å; D175-R179 IonicContact OD2-NE 2.96Å; D175-R179 PolarHBondContact OD2-NE 3.2Å; D175-R179 IonicContact OD2-NH2 3.23Å; D175-R179 PolarHBondContact OD2-NH2 2.91Å; V176-R179 PolarHBondContact O-N 2.66Å; L177-R179 PolarHBondContact O-N 3Å; R179-L181 VanDerWaalsContact C-N 3.33Å; R179-E182 WeakPolarHBondContact O-CB 3.43Å; R179-E182 PolarHBondContact O-N 3.17Å; R179-M183 VanDerWaalsContact O-CG 3.31Å; R179-M183 WeakPolarHBondContact O-CG 3.3Å; R179-M183 PolarHBondContact O-N 3.19Å; R179-L583 HydrophobicContact CB-CD1 3.65Å; R179-L583 HydrophobicContact CG-CD1 4.37Å
180	V	94.3	Very high	92.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-38.8	174.8	171.8	0	0	0	0	111.1	V176 L177 M183 F184 A579 I582 L583 L640 V643	V176-V180 WeakPolarHBondContact O-CG2 3.31Å; V176-V180 PolarHBondContact O-N 3.49Å; L177-V180 PolarHBondContact O-N 2.83Å; V180-M183 WeakPolarHBondContact O-CB 3.47Å; V180-M183 PolarHBondContact O-N 2.89Å; V180-F184 PolarHBondContact O-N 3.42Å; V180-A579 HydrophobicContact CG2-CB 4.26Å; V180-I582 HydrophobicContact CG1-CD1 4.46Å; V180-I582 HydrophobicContact CG1-CG2 4.35Å; V180-I582 HydrophobicContact CG2-CB 4.48Å; V180-I582 HydrophobicContact CG2-CG2 4.19Å; V180-L583 HydrophobicContact CG2-CB 4.47Å; V180-L640 HydrophobicContact CG1-CD2 4.07Å; V180-V643 HydrophobicContact CG1-CG1 3.88Å
181	L	94	Very high	91.8	Very high	30 Å²	30	38.6 Å²	38.6	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-40.4	173.4	-67.1	176.7	0	0	0	112.1	L177 R178 R179 M183 F184 C185 A563 V568 I639	L177-L181 HydrophobicContact CD1-CD1 4.38Å; L177-L181 HydrophobicContact CD1-CD2 4.45Å; L177-L181 HydrophobicContact CD1-CG 4.07Å; L177-L181 HydrophobicContact CG-CD1 4.18Å; L177-L181 HydrophobicContact CG-CG 4.33Å; L177-L181 WeakPolarHBondContact O-CG 3.17Å; L177-L181 PolarHBondContact O-N 2.88Å; R178-L181 PolarHBondContact O-N 2.81Å; R179-L181 VanDerWaalsContact C-N 3.33Å; L181-M183 VanDerWaalsContact C-N 3.3Å; L181-M183 PolarHBondContact O-N 3.32Å; L181-F184 PolarHBondContact O-N 2.97Å; L181-C185 WeakPolarHBondContact O-CB 3.49Å; L181-C185 PolarHBondContact O-N 3.36Å; L181-C185 PolarHBondContact O-SG 3.25Å; L181-A563 HydrophobicContact CD2-CB 4.25Å; L181-V568 HydrophobicContact CD1-CB 3.94Å; L181-V568 HydrophobicContact CD1-CG1 4.49Å; L181-V568 HydrophobicContact CD1-CG2 3.97Å; L181-V568 HydrophobicContact CD2-CB 4.38Å; L181-V568 HydrophobicContact CD2-CG1 4.21Å; L181-V568 HydrophobicContact CD2-CG2 4.09Å; L181-I639 HydrophobicContact CD2-CD1 4.38Å; L181-I639 HydrophobicContact CD2-CG2 3.84Å
182	E	92.3	Very high	90.8	Very high	60 Å²	60	44 Å²	44	28%	0.28	22%	0.219	S	C	.	.	H	α-helix	trans	-58.6	-42.5	172.1	176.8	63.1	-161.3	0	0	111.2	R178 R179 F184 N186 K189	R178-E182 WeakPolarHBondContact O-CB 3Å; R178-E182 PolarHBondContact O-N 3.41Å; R179-E182 WeakPolarHBondContact O-CB 3.43Å; R179-E182 PolarHBondContact O-N 3.17Å; E182-F184 PolarHBondContact O-N 2.7Å; E182-N186 WeakPolarHBondContact O-CA 3.31Å; E182-N186 WeakPolarHBondContact O-CB 3.37Å; E182-N186 PolarHBondContact O-N 3.21Å; E182-N186 WeakPolarHBondContact OE1-CB 3.49Å; E182-N186 PolarHBondContact OE1-ND2 3.28Å; E182-N186 PolarHBondContact OE2-ND2 3.12Å; E182-K189 IonicContact OE1-NZ 2.75Å; E182-K189 PolarHBondContact OE1-NZ 2.96Å
183	M	93.9	Very high	90	Very high	18 Å²	18	45 Å²	45	9%	0.089	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-39.3	174.8	-70.7	170	70.8	0	0	112.4	R179 V180 L181 G187 I188 I582 L583 V643 V647	R179-M183 VanDerWaalsContact O-CG 3.31Å; R179-M183 WeakPolarHBondContact O-CG 3.3Å; R179-M183 PolarHBondContact O-N 3.19Å; V180-M183 WeakPolarHBondContact O-CB 3.47Å; V180-M183 PolarHBondContact O-N 2.89Å; L181-M183 VanDerWaalsContact C-N 3.3Å; L181-M183 PolarHBondContact O-N 3.32Å; M183-G187 CarbonylContact O-C 3.58Å; M183-G187 WeakPolarHBondContact O-CA 3.42Å; M183-G187 PolarHBondContact O-N 2.95Å; M183-I188 HydrophobicContact CB-CD1 3.9Å; M183-I188 HydrophobicContact CE-CD1 3.68Å; M183-I188 HydrophobicContact CE-CG2 4.31Å; M183-I188 HydrophobicContact CG-CD1 4.45Å; M183-I582 HydrophobicContact CE-CG2 3.64Å; M183-I582 HydrophobicContact SD-CG2 4.07Å; M183-L583 HydrophobicContact SD-CD1 4.39Å; M183-V643 HydrophobicContact CB-CG2 3.84Å; M183-V647 HydrophobicContact CE-CG2 3.85Å
184	F	94.7	Very high	89.4	Confident	3 Å²	3	48.1 Å²	48.1	1%	0.013	24%	0.238	C	C	.	.	H	α-helix	trans	-68.2	-48.3	176.7	170.7	-110.8	0	0	0	112.2	V180 L181 E182 R556 L559 R560 I639 E642 V643	V180-F184 PolarHBondContact O-N 3.42Å; L181-F184 PolarHBondContact O-N 2.97Å; E182-F184 PolarHBondContact O-N 2.7Å; F184-R556 HydrophobicContact CE2-CG 4.22Å; F184-R556 HydrophobicContact CZ-CG 4.21Å; F184-R556 PolarHBondContact O-NH2 3Å; F184-L559 HydrophobicContact CE1-CB 4.1Å; F184-L559 HydrophobicContact CZ-CB 3.58Å; F184-L559 HydrophobicContact CZ-CD1 4.41Å; F184-R560 HydrophobicContact CE1-CB 4.37Å; F184-I639 HydrophobicContact CB-CG2 4.09Å; F184-I639 HydrophobicContact CD1-CG1 4.43Å; F184-I639 HydrophobicContact CD1-CG2 3.88Å; F184-I639 HydrophobicContact CD2-CG2 4.26Å; F184-I639 HydrophobicContact CE1-CG1 4.17Å; F184-I639 HydrophobicContact CE1-CG2 4.42Å; F184-I639 HydrophobicContact CG-CG2 3.79Å; F184-I639 HydrophobicContact CZ-CG1 4.45Å; F184-E642 HydrophobicContact CD2-CB 3.98Å; F184-E642 HydrophobicContact CE2-CB 3.67Å; F184-E642 HydrophobicContact CE2-CG 4.26Å; F184-V643 HydrophobicContact CB-CB 4.16Å; F184-V643 HydrophobicContact CB-CG2 4.28Å
185	C	92.8	Very high	89	Confident	22 Å²	22	49 Å²	49	15%	0.149	24%	0.239	C	C	.	.	H	α-helix	trans	-74.4	-43.9	-175.2	-72.3	0	0	0	0	111.8	L181 R560	L181-C185 WeakPolarHBondContact O-CB 3.49Å; L181-C185 PolarHBondContact O-N 3.36Å; L181-C185 PolarHBondContact O-SG 3.25Å; C185-R560 PolarHBondContact O-NH2 3Å
186	N	91.3	Very high	89	Confident	82 Å²	82	52.5 Å²	52.5	44%	0.439	25%	0.254	S	S	.	.	H	α-helix	trans	-110.4	7.9	-171.2	-64.6	-33.2	0	0	0	113.6	E182	E182-N186 WeakPolarHBondContact O-CA 3.31Å; E182-N186 WeakPolarHBondContact O-CB 3.37Å; E182-N186 PolarHBondContact O-N 3.21Å; E182-N186 WeakPolarHBondContact OE1-CB 3.49Å; E182-N186 PolarHBondContact OE1-ND2 3.28Å; E182-N186 PolarHBondContact OE2-ND2 3.12Å
187	G	92.1	Very high	89.2	Confident	27 Å²	27	55.7 Å²	55.7	28%	0.278	27%	0.266	S	S	.	.			trans	81.6	167.5	-179.6	0	0	0	0	0	113	M183 K189	M183-G187 CarbonylContact O-C 3.58Å; M183-G187 WeakPolarHBondContact O-CA 3.42Å; M183-G187 PolarHBondContact O-N 2.95Å; G187-K189 PolarHBondContact O-N 3.45Å
188	I	92.6	Very high	89.4	Confident	18 Å²	18	55 Å²	55	9%	0.092	26%	0.263	C	S	.	.			trans	-73.6	114.5	175.8	-45.2	-52.1	0	0	0	107.6	M183 Y231 F585 V643 D646 V647 T650	M183-I188 HydrophobicContact CB-CD1 3.9Å; M183-I188 HydrophobicContact CE-CD1 3.68Å; M183-I188 HydrophobicContact CE-CG2 4.31Å; M183-I188 HydrophobicContact CG-CD1 4.45Å; I188-Y231 PolarHBondContact O-OH 3.32Å; I188-F585 HydrophobicContact CG2-CD1 3.53Å; I188-F585 HydrophobicContact CG2-CE1 3.74Å; I188-V643 HydrophobicContact CD1-CG2 4.14Å; I188-D646 HydrophobicContact CD1-CB 4.13Å; I188-D646 HydrophobicContact CG1-CB 4.08Å; I188-V647 HydrophobicContact CD1-CG2 3.6Å; I188-V647 HydrophobicContact CG1-CG2 4.11Å; I188-T650 HydrophobicContact CB-CG2 4.45Å; I188-T650 HydrophobicContact CG2-CG2 4.38Å
189	K	87.3	Confident	89.7	Confident	109 Å²	109	51 Å²	51	47%	0.474	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-96.6	140.5	179.2	-65.7	175.5	-178.6	165.9	0	110.4	E182 G187	E182-K189 IonicContact OE1-NZ 2.75Å; E182-K189 PolarHBondContact OE1-NZ 2.96Å; G187-K189 PolarHBondContact O-N 3.45Å
190	P	85	Confident	90	Very high	40 Å²	40	50.3 Å²	50.3	26%	0.26	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-68.5	162.6	171.8	33.2	-39.3	0	0	0	111.1	Y231 V232	P190-Y231 HydrophobicContact CB-CD1 3.99Å; P190-Y231 HydrophobicContact CB-CE1 3.74Å; P190-Y231 VanDerWaalsContact CG-O 3.32Å; P190-Y231 WeakPolarHBondContact CG-O 3.45Å; P190-V232 HydrophobicContact CB-CB 4.26Å; P190-V232 HydrophobicContact CB-CG2 3.86Å
191	P	76.8	Confident	90.2	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.013	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-60	139.8	165.9	27	-34	0	0	0	110.5	L193 L593	P191-L193 PolarHBondContact O-N 2.78Å; P191-L593 HydrophobicContact CG-CD1 3.9Å
192	H	74.4	Confident	90.5	Very high	124 Å²	124	49.3 Å²	49.3	57%	0.574	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-70.6	119.9	176.1	-173.9	88.9	0	0	0	111.2	E64	E64-H192 HydrophobicContact CB-CB 4.15Å; E64-H192 PolarHBondContact O-N 3.01Å
193	L	79	Confident	90.7	Very high	63 Å²	63	46.7 Å²	46.7	33%	0.33	23%	0.228	S	C	.	.			trans	-128.2	156.4	173.5	-67.3	-175.4	0	0	0	111	P191 K195 V232 F234 L593	P191-L193 PolarHBondContact O-N 2.78Å; L193-K195 PolarHBondContact O-N 2.54Å; L193-V232 HydrophobicContact CB-CG1 4.18Å; L193-V232 HydrophobicContact CD1-CG1 3.79Å; L193-V232 HydrophobicContact CG-CG1 4.09Å; L193-F234 HydrophobicContact CB-CZ 4.44Å; L193-F234 HydrophobicContact CD1-CE2 3.99Å; L193-F234 HydrophobicContact CD1-CZ 3.98Å; L193-L593 HydrophobicContact CD1-CD1 3.95Å
194	E	80.3	Confident	90.8	Very high	139 Å²	139	47.5 Å²	47.5	65%	0.65	24%	0.238	S	C	*	.			trans	-59.4	126	168.8	-175.8	-177.2	-161.3	0	0	109.6	K196	E194-K196 VanDerWaalsContact CD-CE 3.46Å; E194-K196 HydrophobicContact CG-CG 4.46Å; E194-K196 PolarHBondContact O-N 3.17Å; E194-K196 WeakPolarHBondContact OE2-CE 3.42Å; E194-K196 IonicContact OE2-NZ 3.17Å; E194-K196 PolarHBondContact OE2-NZ 2.84Å; E194-K196 VanDerWaalsContact OE2-NZ 3.13Å
195	K	84.3	Confident	90.9	Very high	172 Å²	172	47.4 Å²	47.4	75%	0.748	24%	0.238	S	C	*	.			trans	-70.6	122.4	178.4	-61.2	-177.1	-179.5	-179.9	0	109.5	L193	L193-K195 PolarHBondContact O-N 2.54Å
196	K	91.9	Very high	90.9	Very high	80 Å²	80	49.3 Å²	49.3	35%	0.348	25%	0.246	S	C	.	.			trans	-128.6	162.2	178.7	-64.2	-172	180	-172.1	0	111.1	E194 F234 D235 D406	E194-K196 VanDerWaalsContact CD-CE 3.46Å; E194-K196 HydrophobicContact CG-CG 4.46Å; E194-K196 PolarHBondContact O-N 3.17Å; E194-K196 WeakPolarHBondContact OE2-CE 3.42Å; E194-K196 IonicContact OE2-NZ 3.17Å; E194-K196 PolarHBondContact OE2-NZ 2.84Å; E194-K196 VanDerWaalsContact OE2-NZ 3.13Å; K196-F234 HydrophobicContact CB-CD1 3.83Å; K196-F234 HydrophobicContact CB-CE1 3.84Å; K196-F234 HydrophobicContact CG-CE1 4.33Å; K196-F234 WeakPolarHBondContact O-CD1 3.49Å; K196-D235 PolarHBondContact O-N 3.45Å; K196-D406 HydrophobicContact CB-CB 3.94Å; K196-D406 WeakPolarHBondContact CB-OD2 3.27Å; K196-D406 HydrophobicContact CD-CB 3.95Å; K196-D406 HydrophobicContact CG-CB 4.3Å
197	R	97.7	Very high	90.9	Very high	67 Å²	67	45.7 Å²	45.7	25%	0.253	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.5	171.8	-173.4	163.5	174.2	97.1	-3.5	109.7	D235 E403 D406 W407	R197-D235 CarbonylContact C-O 3.42Å; R197-D235 WeakPolarHBondContact CA-O 3.31Å; R197-D235 IonicContact CZ-OD2 3.27Å; R197-D235 IonicContact NH1-OD1 3.35Å; R197-D235 IonicContact NH1-OD2 2.87Å; R197-D235 PolarHBondContact NH1-OD2 3.45Å; R197-E403 WeakPolarHBondContact CD-O 3.37Å; R197-E403 IonicContact CZ-OE2 3.29Å; R197-E403 PolarHBondContact NE-O 2.96Å; R197-E403 IonicContact NE-OE2 2.72Å; R197-E403 IonicContact NH2-OE2 2.72Å; R197-E403 PolarHBondContact NH2-OE2 3.37Å; R197-D406 PolarHBondContact N-OD2 2.87Å; R197-D406 PolarHBondContact O-N 2.99Å; R197-W407 PolarHBondContact O-N 3Å
198	V	98.5	Very high	90.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.9	-177.3	-170.4	0	0	0	0	109.6	V200 L229 F234 D235 V236 L237 W407 I409	V198-V200 HydrophobicContact CG1-CG2 4.05Å; V198-L229 HydrophobicContact CB-CD1 4.39Å; V198-L229 HydrophobicContact CG1-CD1 3.8Å; V198-F234 HydrophobicContact CG2-CB 3.92Å; V198-F234 HydrophobicContact CG2-CD1 3.56Å; V198-F234 HydrophobicContact CG2-CE1 4.32Å; V198-F234 HydrophobicContact CG2-CG 3.88Å; V198-D235 PolarHBondContact N-O 3.3Å; V198-V236 CarbonylContact O-C 3.55Å; V198-V236 WeakPolarHBondContact O-CA 3.46Å; V198-L237 PolarHBondContact O-N 3.06Å; V198-W407 CarbonylContact C-O 3.45Å; V198-W407 VanDerWaalsContact CA-O 3.28Å; V198-W407 WeakPolarHBondContact CA-O 3.41Å; V198-W407 HydrophobicContact CB-CB 4.45Å; V198-W407 HydrophobicContact CG1-CB 3.97Å; V198-W407 HydrophobicContact CG1-CD2 4.15Å; V198-W407 HydrophobicContact CG1-CE3 4.2Å; V198-W407 HydrophobicContact CG1-CG 4.07Å; V198-W407 WeakPolarHBondContact CG1-O 3.29Å; V198-W407 HydrophobicContact CG2-CB 4.11Å; V198-W407 HydrophobicContact CG2-CE3 4.11Å; V198-I409 HydrophobicContact CG1-CD1 4Å; V198-I409 HydrophobicContact CG1-CG1 4.26Å
199	V	98.8	Very high	90.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.6	170.7	173	0	0	0	0	108.3	L237 L239 R399 E403 A405 W407 I408 I409	V199-L237 WeakPolarHBondContact CA-O 3.46Å; V199-L237 HydrophobicContact CG2-CB 4.12Å; V199-L237 HydrophobicContact CG2-CD2 4.11Å; V199-L239 HydrophobicContact CG1-CD1 3.59Å; V199-L239 HydrophobicContact CG1-CG 4.03Å; V199-R399 HydrophobicContact CG1-CG 4.09Å; V199-E403 HydrophobicContact CG2-CB 4.35Å; V199-A405 HydrophobicContact CB-CB 4.15Å; V199-A405 HydrophobicContact CG2-CB 3.51Å; V199-W407 PolarHBondContact N-O 3.2Å; V199-I408 HydrophobicContact CB-CG1 4.46Å; V199-I408 HydrophobicContact CB-CG2 4.41Å; V199-I408 HydrophobicContact CG1-CG2 4.44Å; V199-I408 CarbonylContact O-C 3.59Å; V199-I408 WeakPolarHBondContact O-CA 3.48Å; V199-I409 PolarHBondContact O-N 2.81Å
200	V	98.8	Very high	90.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.5	174.6	-171.3	0	0	0	0	108.4	V198 F202 I225 C226 L229 V236 L237 R238 L239 I409 V411	V198-V200 HydrophobicContact CG1-CG2 4.05Å; V200-F202 HydrophobicContact CB-CD1 4.49Å; V200-F202 HydrophobicContact CG1-CD1 3.98Å; V200-F202 HydrophobicContact CG1-CE1 4.49Å; V200-I225 HydrophobicContact CG2-CG2 4.46Å; V200-C226 VanDerWaalsContact CB-SG 3.53Å; V200-L229 HydrophobicContact CG2-CD1 4.02Å; V200-V236 HydrophobicContact CG2-CG1 4.01Å; V200-L237 PolarHBondContact N-O 2.96Å; V200-R238 CarbonylContact O-C 3.11Å; V200-L239 PolarHBondContact O-N 3.32Å; V200-I409 WeakPolarHBondContact CA-O 3.35Å; V200-I409 HydrophobicContact CB-CB 4.48Å; V200-I409 HydrophobicContact CG1-CB 4.21Å; V200-I409 HydrophobicContact CG1-CG2 4.27Å; V200-I409 HydrophobicContact CG2-CB 4.22Å; V200-I409 HydrophobicContact CG2-CD1 4.1Å; V200-I409 HydrophobicContact CG2-CG1 4.47Å; V200-V411 HydrophobicContact CG1-CG2 4.07Å
201	D	98.7	Very high	90.9	Very high	9 Å²	9	44.9 Å²	44.9	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.1	179.5	-175	6.9	0	0	0	110.2	L239 H241 R399 I409 Y410 V411	D201-L239 WeakPolarHBondContact CA-O 3.37Å; D201-H241 VanDerWaalsContact OD1-CB 3.29Å; D201-H241 WeakPolarHBondContact OD1-CB 3.45Å; D201-H241 PolarHBondContact OD1-N 3.09Å; D201-H241 WeakPolarHBondContact OD2-CB 3.41Å; D201-R399 VanDerWaalsContact CB-NH1 3.35Å; D201-R399 IonicContact OD2-CZ 3.56Å; D201-R399 IonicContact OD2-NH1 2.8Å; D201-R399 PolarHBondContact OD2-NH1 3.28Å; D201-R399 IonicContact OD2-NH2 3.36Å; D201-R399 PolarHBondContact OD2-NH2 3.14Å; D201-I409 PolarHBondContact N-O 3.14Å; D201-Y410 HydrophobicContact CB-CD1 4.25Å; D201-V411 PolarHBondContact O-N 3.18Å
202	F	98.4	Very high	91.6	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	23%	0.226	C	C	.	.			trans	-156.8	170.9	-173.8	69.2	-78.5	0	0	0	112.6	V200 A204 T219 D223 C226 R238 L239 N240 V332 L334 V411	V200-F202 HydrophobicContact CB-CD1 4.49Å; V200-F202 HydrophobicContact CG1-CD1 3.98Å; V200-F202 HydrophobicContact CG1-CE1 4.49Å; F202-A204 PolarHBondContact O-N 3.23Å; F202-T219 WeakPolarHBondContact CD2-O 3.29Å; F202-T219 WeakPolarHBondContact CE2-O 3.5Å; F202-D223 HydrophobicContact CE2-CB 4.17Å; F202-C226 VanDerWaalsContact CE1-SG 3.58Å; F202-R238 HydrophobicContact CE1-CB 3.97Å; F202-R238 HydrophobicContact CE1-CG 4.49Å; F202-R238 HydrophobicContact CZ-CB 4.47Å; F202-L239 PolarHBondContact N-O 2.93Å; F202-L239 VanDerWaalsContact N-O 3.13Å; F202-N240 PolarHBondContact O-OD1 3.08Å; F202-V332 HydrophobicContact CE2-CG1 3.88Å; F202-V332 HydrophobicContact CZ-CG1 4.24Å; F202-L334 HydrophobicContact CD1-CD2 3.83Å; F202-L334 HydrophobicContact CD2-CD2 4.16Å; F202-L334 HydrophobicContact CE1-CD2 3.28Å; F202-L334 HydrophobicContact CE1-CG 4.46Å; F202-L334 HydrophobicContact CE2-CD1 4.29Å; F202-L334 HydrophobicContact CE2-CD2 3.65Å; F202-L334 HydrophobicContact CE2-CG 4.18Å; F202-L334 HydrophobicContact CG-CD2 4.25Å; F202-L334 HydrophobicContact CZ-CD2 3.18Å; F202-L334 HydrophobicContact CZ-CG 3.93Å; F202-V411 HydrophobicContact CB-CB 3.82Å; F202-V411 HydrophobicContact CB-CG2 4.15Å
203	S	97.7	Very high	92.3	Very high	5 Å²	5	42.1 Å²	42.1	4%	0.035	20%	0.2	C	C	.	.			trans	69.2	-63.9	-169.9	-158.4	0	0	0	0	113.5	P205 M211 H215 S218 T219 Y327	S203-P205 VanDerWaalsContact C-CD 3.4Å; S203-M211 WeakPolarHBondContact OG-CE 3.46Å; S203-H215 PolarHBondContact O-CD2 2.94Å; S203-S218 PolarHBondContact N-OG 3.19Å; S203-T219 PolarHBondContact OG-OG1 3.29Å; S203-Y327 WeakPolarHBondContact CB-OH 3.41Å; S203-Y327 VanDerWaalsContact OG-CE1 3.32Å; S203-Y327 WeakPolarHBondContact OG-CE1 3.41Å; S203-Y327 PolarHBondContact OG-OH 3.21Å
204	A	95.9	Very high	92.6	Very high	35 Å²	35	40.7 Å²	40.7	29%	0.289	20%	0.201	S	C	.	.			trans	41.6	49.6	173.7	0	0	0	0	0	116	F202 N240 H241	F202-A204 PolarHBondContact O-N 3.23Å; A204-N240 WeakPolarHBondContact CA-OD1 3.3Å; A204-N240 PolarHBondContact N-OD1 3.49Å; A204-H241 WeakPolarHBondContact CB-O 3.23Å
205	P	95.9	Very high	93.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-69.4	157.6	175.7	32.5	-36.1	0	0	0	111.8	S203 M211 N240 V242 G243 F323	S203-P205 VanDerWaalsContact C-CD 3.4Å; P205-M211 HydrophobicContact CB-CG 3.91Å; P205-M211 HydrophobicContact CG-CG 4.37Å; P205-M211 HydrophobicContact CG-SD 4.41Å; P205-N240 VanDerWaalsContact CD-OD1 3.26Å; P205-N240 WeakPolarHBondContact CD-OD1 3.5Å; P205-V242 HydrophobicContact CG-CG1 4.18Å; P205-V242 VanDerWaalsContact O-CA 3.28Å; P205-V242 WeakPolarHBondContact O-CA 3.46Å; P205-V242 WeakPolarHBondContact O-CB 3.22Å; P205-G243 PolarHBondContact O-N 3.02Å; P205-F323 HydrophobicContact CB-CE1 4.13Å; P205-F323 HydrophobicContact CB-CE2 4.02Å; P205-F323 HydrophobicContact CB-CZ 3.8Å; P205-F323 HydrophobicContact CG-CD1 4.4Å; P205-F323 HydrophobicContact CG-CD2 3.74Å; P205-F323 HydrophobicContact CG-CE1 4.28Å; P205-F323 HydrophobicContact CG-CE2 3.57Å; P205-F323 HydrophobicContact CG-CG 4.15Å; P205-F323 HydrophobicContact CG-CZ 3.88Å
206	N	93.1	Very high	93.8	Very high	61 Å²	61	27.1 Å²	27.1	33%	0.326	14%	0.14	S	C	.	.	B	Isolated β-bridge	trans	-88.7	134.6	171.3	-71.2	-84.2	0	0	0	110.1	K209	N206-K209 HydrophobicContact CB-CB 4.38Å; N206-K209 HydrophobicContact CB-CD 4.03Å; N206-K209 HydrophobicContact CB-CG 4.32Å; N206-K209 PolarHBondContact O-N 3.25Å
207	I	91.4	Very high	94	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.031	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	148.8	172.1	-61.5	-68.6	0	0	0	109.9	K209 G243 D244 F249 I315 C316 F323	I207-K209 PolarHBondContact O-N 2.96Å; I207-G243 PolarHBondContact N-O 3.01Å; I207-D244 HydrophobicContact CG1-CB 3.7Å; I207-F249 HydrophobicContact CB-CE1 4.28Å; I207-F249 HydrophobicContact CB-CZ 3.81Å; I207-F249 HydrophobicContact CG1-CZ 4.45Å; I207-F249 HydrophobicContact CG2-CE1 3.75Å; I207-F249 HydrophobicContact CG2-CZ 3.82Å; I207-I315 HydrophobicContact CG2-CG2 4.12Å; I207-C316 HydrophobicContact CD1-CB 4.42Å; I207-F323 HydrophobicContact CD1-CE2 3.9Å
208	A	85.2	Confident	94	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.033	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	9.6	-173.3	0	0	0	0	0	115.4	L252 L273 Y277 S319	A208-L252 HydrophobicContact CB-CD1 3.78Å; A208-L273 HydrophobicContact CB-CD2 3.83Å; A208-L273 HydrophobicContact CB-CG 3.83Å; A208-Y277 HydrophobicContact CB-CD2 4.4Å; A208-S319 PolarHBondContact N-OG 3.06Å
209	K	88.2	Confident	94	Very high	113 Å²	113	20.5 Å²	20.5	49%	0.491	11%	0.114	S	C	.	.	S	Bend	trans	-117.1	139.4	166.6	-62.9	-173.6	-173	166.8	0	109.6	N206 I207 F323	N206-K209 HydrophobicContact CB-CB 4.38Å; N206-K209 HydrophobicContact CB-CD 4.03Å; N206-K209 HydrophobicContact CB-CG 4.32Å; N206-K209 PolarHBondContact O-N 3.25Å; I207-K209 PolarHBondContact O-N 2.96Å; K209-F323 WeakPolarHBondContact O-CE1 3.35Å
210	E	89.6	Confident	93.9	Very high	56 Å²	56	20.6 Å²	20.6	26%	0.262	11%	0.114	S	C	.	.			trans	-71.6	143.3	173.4	-64.7	176.2	118.7	0	0	110.1	Q274 K465	E210-Q274 HydrophobicContact CG-CB 4.33Å; E210-Q274 VanDerWaalsContact OE2-CD 3.31Å; E210-Q274 PolarHBondContact OE2-NE2 2.92Å; E210-K465 VanDerWaalsContact CD-NZ 3.26Å; E210-K465 WeakPolarHBondContact OE1-CD 3.4Å; E210-K465 WeakPolarHBondContact OE1-CE 3.36Å; E210-K465 IonicContact OE1-NZ 2.81Å; E210-K465 PolarHBondContact OE1-NZ 3.13Å; E210-K465 WeakPolarHBondContact OE2-CE 3.38Å; E210-K465 IonicContact OE2-NZ 3.69Å; E210-K465 PolarHBondContact OE2-NZ 3.17Å
211	M	94.3	Very high	93.9	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.025	11%	0.114	C	C	.	.			trans	-66.5	142.2	169.4	-69.3	179.6	76.5	0	0	110.1	S203 P205 H215 F323 I326 Y327 L466	S203-M211 WeakPolarHBondContact OG-CE 3.46Å; P205-M211 HydrophobicContact CB-CG 3.91Å; P205-M211 HydrophobicContact CG-CG 4.37Å; P205-M211 HydrophobicContact CG-SD 4.41Å; M211-H215 HydrophobicContact CB-CB 4.47Å; M211-H215 HydrophobicContact CE-CB 3.76Å; M211-F323 HydrophobicContact CG-CD1 3.68Å; M211-F323 HydrophobicContact CG-CE1 3.86Å; M211-F323 HydrophobicContact SD-CB 4.2Å; M211-F323 HydrophobicContact SD-CD1 3.78Å; M211-F323 HydrophobicContact SD-CG 4.17Å; M211-I326 HydrophobicContact CB-CD1 3.7Å; M211-I326 HydrophobicContact CE-CG2 4.37Å; M211-I326 HydrophobicContact CG-CD1 4.25Å; M211-I326 HydrophobicContact SD-CB 4.39Å; M211-I326 HydrophobicContact SD-CD1 3.91Å; M211-I326 HydrophobicContact SD-CG2 4.28Å; M211-Y327 HydrophobicContact CE-CE1 3.9Å; M211-Y327 HydrophobicContact SD-CE1 4.32Å; M211-L466 HydrophobicContact CB-CB 4.24Å; M211-L466 HydrophobicContact CB-CD2 4.41Å; M211-L466 HydrophobicContact CE-CD2 4.14Å; M211-L466 PolarHBondContact O-N 3.1Å
212	H	91.6	Very high	93.9	Very high	62 Å²	62	20.2 Å²	20.2	29%	0.287	11%	0.112	S	C	.	.	B	Isolated β-bridge	trans	-133.6	173.3	-178.6	62	76.6	0	0	0	110.2	G214 H215 T463 I464	H212-G214 PolarHBondContact ND1-N 3.41Å; H212-G214 PolarHBondContact O-N 3.25Å; H212-H215 AromaticContact CD2-CE1 3.32Å; H212-H215 PolarHBondContact CD2-CE1 2.65Å; H212-H215 AromaticContact CD2-ND1 3.38Å; H212-H215 PolarHBondContact CD2-ND1 3.07Å; H212-H215 AromaticContact CE1-CE1 3.78Å; H212-H215 AromaticContact CE1-ND1 3.63Å; H212-H215 AromaticContact CG-ND1 3.6Å; H212-H215 PolarHBondContact N-ND1 3.14Å; H212-H215 AromaticContact ND1-ND1 3.78Å; H212-H215 AromaticContact NE2-CE1 3.16Å; H212-H215 PolarHBondContact NE2-CE1 3.46Å; H212-H215 AromaticContact NE2-ND1 3.42Å; H212-H215 PolarHBondContact NE2-ND1 2.87Å; H212-H215 WeakPolarHBondContact O-CB 3.36Å; H212-H215 PolarHBondContact O-N 2.97Å; H212-T463 HydrophobicContact CB-CG2 3.64Å; H212-I464 WeakPolarHBondContact CA-O 3.28Å; H212-I464 VanDerWaalsContact CB-O 3.31Å; H212-I464 WeakPolarHBondContact CB-O 3.06Å
213	V	88.7	Confident	93.9	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.036	11%	0.112	C	C	.	.	H	α-helix	trans	-54.6	-15.5	-177.1	-59.6	0	0	0	0	116.1	L216 F456 T463 I464 L469	V213-L216 WeakPolarHBondContact O-CB 3.46Å; V213-F456 HydrophobicContact CB-CD1 4.46Å; V213-F456 HydrophobicContact CG1-CD1 4.11Å; V213-F456 HydrophobicContact CG1-CE1 4.42Å; V213-F456 HydrophobicContact CG2-CD1 4.32Å; V213-T463 HydrophobicContact CG2-CG2 4.15Å; V213-I464 HydrophobicContact CG1-CB 3.89Å; V213-I464 HydrophobicContact CG1-CG2 4.09Å; V213-I464 PolarHBondContact N-O 3.21Å; V213-L469 HydrophobicContact CG1-CD1 3.51Å
214	G	86.3	Confident	93.9	Very high	33 Å²	33	20 Å²	20	34%	0.34	11%	0.111	S	C	.	.	H	α-helix	trans	-74.3	-37.4	172.9	0	0	0	0	0	112.2	H212 L216	H212-G214 PolarHBondContact ND1-N 3.41Å; H212-G214 PolarHBondContact O-N 3.25Å; G214-L216 VanDerWaalsContact C-N 3.31Å
215	H	94.2	Very high	94.1	Very high	24 Å²	24	18.6 Å²	18.6	11%	0.111	10%	0.098	C	C	.	.	H	α-helix	trans	-68.9	-32.4	175.4	-59.7	93.3	0	0	0	111.2	S203 M211 H212 R217 S218 T219	S203-H215 PolarHBondContact O-CD2 2.94Å; M211-H215 HydrophobicContact CB-CB 4.47Å; M211-H215 HydrophobicContact CE-CB 3.76Å; H212-H215 AromaticContact CD2-CE1 3.32Å; H212-H215 PolarHBondContact CD2-CE1 2.65Å; H212-H215 AromaticContact CD2-ND1 3.38Å; H212-H215 PolarHBondContact CD2-ND1 3.07Å; H212-H215 AromaticContact CE1-CE1 3.78Å; H212-H215 AromaticContact CE1-ND1 3.63Å; H212-H215 AromaticContact CG-ND1 3.6Å; H212-H215 PolarHBondContact N-ND1 3.14Å; H212-H215 AromaticContact ND1-ND1 3.78Å; H212-H215 AromaticContact NE2-CE1 3.16Å; H212-H215 PolarHBondContact NE2-CE1 3.46Å; H212-H215 AromaticContact NE2-ND1 3.42Å; H212-H215 PolarHBondContact NE2-ND1 2.87Å; H212-H215 WeakPolarHBondContact O-CB 3.36Å; H212-H215 PolarHBondContact O-N 2.97Å; H215-R217 VanDerWaalsContact C-N 3.3Å; H215-R217 PolarHBondContact O-N 3.47Å; H215-S218 PolarHBondContact O-N 3.48Å; H215-T219 WeakPolarHBondContact O-CB 3.3Å; H215-T219 PolarHBondContact O-N 3.11Å; H215-T219 PolarHBondContact O-OG1 3.49Å
216	L	94.9	Very high	94.2	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-48.8	-49.8	178.6	174.8	63.6	0	0	0	112.2	V213 G214 T219 I220 L330 L466 L469 I507	V213-L216 WeakPolarHBondContact O-CB 3.46Å; G214-L216 VanDerWaalsContact C-N 3.31Å; L216-T219 WeakPolarHBondContact O-CB 3.5Å; L216-T219 PolarHBondContact O-N 3.34Å; L216-I220 HydrophobicContact CD1-CD1 4.08Å; L216-I220 HydrophobicContact CD1-CG2 3.7Å; L216-I220 HydrophobicContact CG-CD1 4.01Å; L216-I220 VanDerWaalsContact O-CG1 3.28Å; L216-I220 WeakPolarHBondContact O-CG1 3.49Å; L216-I220 PolarHBondContact O-N 3.44Å; L216-L330 HydrophobicContact CD1-CD1 4.21Å; L216-L466 HydrophobicContact CB-CD1 3.95Å; L216-L466 HydrophobicContact CB-CD2 4.22Å; L216-L466 HydrophobicContact CD1-CD1 4.02Å; L216-L466 HydrophobicContact CD2-CD1 4.3Å; L216-L466 HydrophobicContact CG-CD1 4.3Å; L216-L469 HydrophobicContact CD2-CD2 4.47Å; L216-I507 HydrophobicContact CD1-CG2 4.1Å; L216-I507 HydrophobicContact CD2-CG2 3.81Å
217	R	95.7	Very high	94.5	Very high	2 Å²	2	17 Å²	17	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-60.6	-50.8	-177.3	-61.1	-161.9	76.2	176.1	8.4	111.8	H215 T219 I220 I221 F445 G446 V448 D511 R516 N518	H215-R217 VanDerWaalsContact C-N 3.3Å; H215-R217 PolarHBondContact O-N 3.47Å; R217-T219 VanDerWaalsContact C-N 3.31Å; R217-T219 PolarHBondContact O-N 3Å; R217-I220 PolarHBondContact O-N 3.33Å; R217-I221 HydrophobicContact CB-CD1 4.2Å; R217-I221 VanDerWaalsContact O-CB 3.24Å; R217-I221 WeakPolarHBondContact O-CB 3.39Å; R217-I221 WeakPolarHBondContact O-CD1 3.49Å; R217-I221 WeakPolarHBondContact O-CG1 3.16Å; R217-I221 PolarHBondContact O-N 3.24Å; R217-F445 HydrophobicContact CB-CD2 3.7Å; R217-F445 HydrophobicContact CB-CE2 3.78Å; R217-F445 HydrophobicContact CB-CG 4.24Å; R217-F445 HydrophobicContact CB-CZ 4.36Å; R217-F445 HydrophobicContact CG-CD2 4.41Å; R217-G446 WeakPolarHBondContact CD-O 3.33Å; R217-G446 VanDerWaalsContact NH1-CA 3.26Å; R217-G446 VanDerWaalsContact NH1-N 3.14Å; R217-G446 PolarHBondContact NH1-O 3.45Å; R217-V448 HydrophobicContact CG-CG2 3.67Å; R217-D511 WeakPolarHBondContact CA-OD2 3.18Å; R217-D511 WeakPolarHBondContact CB-OD2 3.44Å; R217-D511 WeakPolarHBondContact CG-OD2 3.34Å; R217-D511 IonicContact CZ-OD1 2.66Å; R217-D511 IonicContact NE-OD1 3.83Å; R217-D511 PolarHBondContact NE-OD1 3.09Å; R217-D511 IonicContact NE-OD2 2.81Å; R217-D511 PolarHBondContact NE-OD2 3.21Å; R217-D511 IonicContact NH2-OD1 3.21Å; R217-D511 PolarHBondContact NH2-OD1 3.41Å; R217-R516 PolarHBondContact NH2-O 2.84Å; R217-N518 PolarHBondContact NH1-O 2.87Å; R217-N518 PolarHBondContact NH2-O 2.98Å
218	S	97.5	Very high	94.8	Very high	7 Å²	7	16.9 Å²	16.9	5%	0.049	9%	0.087	C	C	.	.	H	α-helix	trans	-57.1	-47.1	176	-179	0	0	0	0	111	S203 H215 I220 G222 V411	S203-S218 PolarHBondContact N-OG 3.19Å; H215-S218 PolarHBondContact O-N 3.48Å; S218-I220 PolarHBondContact O-N 2.94Å; S218-G222 PolarHBondContact O-N 3.13Å; S218-V411 PolarHBondContact OG-O 3.13Å
219	T	98.3	Very high	95.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-56.6	-50.6	179.9	-53.6	0	0	0	0	112.4	F202 S203 H215 L216 R217 D223 Y327 L330 V332	F202-T219 WeakPolarHBondContact CD2-O 3.29Å; F202-T219 WeakPolarHBondContact CE2-O 3.5Å; S203-T219 PolarHBondContact OG-OG1 3.29Å; H215-T219 WeakPolarHBondContact O-CB 3.3Å; H215-T219 PolarHBondContact O-N 3.11Å; H215-T219 PolarHBondContact O-OG1 3.49Å; L216-T219 WeakPolarHBondContact O-CB 3.5Å; L216-T219 PolarHBondContact O-N 3.34Å; R217-T219 VanDerWaalsContact C-N 3.31Å; R217-T219 PolarHBondContact O-N 3Å; T219-D223 VanDerWaalsContact O-CB 3.31Å; T219-D223 WeakPolarHBondContact O-CB 3.44Å; T219-D223 PolarHBondContact O-N 2.87Å; T219-Y327 HydrophobicContact CG2-CD1 4.15Å; T219-Y327 HydrophobicContact CG2-CE1 4.03Å; T219-L330 HydrophobicContact CG2-CD1 4.06Å; T219-V332 HydrophobicContact CG2-CB 4.44Å; T219-V332 HydrophobicContact CG2-CG1 4.19Å; T219-V332 HydrophobicContact CG2-CG2 4Å
220	I	97.7	Very high	95.8	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-82.8	-33.8	-172.6	67.6	-169.4	0	0	0	113.2	L216 R217 S218 C224 K508 D511 L512	L216-I220 HydrophobicContact CD1-CD1 4.08Å; L216-I220 HydrophobicContact CD1-CG2 3.7Å; L216-I220 HydrophobicContact CG-CD1 4.01Å; L216-I220 VanDerWaalsContact O-CG1 3.28Å; L216-I220 WeakPolarHBondContact O-CG1 3.49Å; L216-I220 PolarHBondContact O-N 3.44Å; R217-I220 PolarHBondContact O-N 3.33Å; S218-I220 PolarHBondContact O-N 2.94Å; I220-C224 VanDerWaalsContact O-CB 3.31Å; I220-C224 WeakPolarHBondContact O-CB 3.42Å; I220-C224 PolarHBondContact O-N 3.19Å; I220-K508 HydrophobicContact CB-CG 4.35Å; I220-K508 HydrophobicContact CG2-CG 3.9Å; I220-D511 HydrophobicContact CD1-CB 3.43Å; I220-D511 VanDerWaalsContact CD1-CB 3.43Å; I220-D511 WeakPolarHBondContact CD1-OD2 3.41Å; I220-D511 HydrophobicContact CG1-CB 4.41Å; I220-L512 HydrophobicContact CG1-CD2 4.48Å
221	I	98.4	Very high	96	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-66.3	-46.6	173.4	-65.8	165.4	0	0	0	109.3	R217 C224 I225 V411 V443 F445 L512 R516	R217-I221 HydrophobicContact CB-CD1 4.2Å; R217-I221 VanDerWaalsContact O-CB 3.24Å; R217-I221 WeakPolarHBondContact O-CB 3.39Å; R217-I221 WeakPolarHBondContact O-CD1 3.49Å; R217-I221 WeakPolarHBondContact O-CG1 3.16Å; R217-I221 PolarHBondContact O-N 3.24Å; I221-C224 PolarHBondContact O-N 2.84Å; I221-I225 HydrophobicContact CG2-CD1 3.85Å; I221-I225 WeakPolarHBondContact O-CG1 3.39Å; I221-I225 PolarHBondContact O-N 3.45Å; I221-V411 HydrophobicContact CB-CG1 3.95Å; I221-V411 HydrophobicContact CG2-CG1 3.73Å; I221-V443 HydrophobicContact CG2-CG1 4.16Å; I221-F445 HydrophobicContact CD1-CB 3.79Å; I221-F445 HydrophobicContact CD1-CD1 4.1Å; I221-F445 HydrophobicContact CD1-CG 4.02Å; I221-L512 HydrophobicContact CG1-CD2 4.07Å; I221-R516 HydrophobicContact CD1-CB 3.91Å
222	G	98.5	Very high	96	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.8	-44.5	177.8	0	0	0	0	0	112.5	S218 C224 I225 C226	S218-G222 PolarHBondContact O-N 3.13Å; G222-C224 VanDerWaalsContact C-N 3.34Å; G222-C224 PolarHBondContact O-N 2.95Å; G222-I225 PolarHBondContact O-N 3.19Å; G222-C226 PolarHBondContact O-N 3.18Å; G222-C226 PolarHBondContact O-SG 3.2Å
223	D	98.8	Very high	96.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.4	-43.1	175.3	-178.1	51.3	0	0	0	111.8	F202 T219 C226 R227 R238 V332 K508	F202-D223 HydrophobicContact CE2-CB 4.17Å; T219-D223 VanDerWaalsContact O-CB 3.31Å; T219-D223 WeakPolarHBondContact O-CB 3.44Å; T219-D223 PolarHBondContact O-N 2.87Å; D223-C226 PolarHBondContact O-N 3.4Å; D223-R227 VanDerWaalsContact CG-NE 3.28Å; D223-R227 WeakPolarHBondContact O-CB 3.4Å; D223-R227 WeakPolarHBondContact O-CD 3.32Å; D223-R227 VanDerWaalsContact O-CG 3.25Å; D223-R227 WeakPolarHBondContact O-CG 3.19Å; D223-R227 PolarHBondContact O-N 2.99Å; D223-R227 IonicContact OD1-NE 2.94Å; D223-R227 PolarHBondContact OD1-NE 3.29Å; D223-R227 VanDerWaalsContact OD1-NE 3.08Å; D223-R227 WeakPolarHBondContact OD2-CD 3.47Å; D223-R227 IonicContact OD2-CZ 2.96Å; D223-R227 IonicContact OD2-NE 3.98Å; D223-R227 PolarHBondContact OD2-NE 3.07Å; D223-R227 IonicContact OD2-NH2 3.01Å; D223-R238 IonicContact OD1-CZ 3.92Å; D223-R238 IonicContact OD1-NH1 2.77Å; D223-R238 PolarHBondContact OD1-NH1 3.25Å; D223-V332 HydrophobicContact CB-CG1 4.36Å; D223-V332 HydrophobicContact CB-CG2 3.93Å; D223-K508 IonicContact OD2-NZ 2.75Å; D223-K508 PolarHBondContact OD2-NZ 3.27Å
224	C	98.7	Very high	96.4	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-62.2	-45.4	177.6	179.3	0	0	0	0	112.4	I220 I221 G222 R227 L228 L512 P598 I654	I220-C224 VanDerWaalsContact O-CB 3.31Å; I220-C224 WeakPolarHBondContact O-CB 3.42Å; I220-C224 PolarHBondContact O-N 3.19Å; I221-C224 PolarHBondContact O-N 2.84Å; G222-C224 VanDerWaalsContact C-N 3.34Å; G222-C224 PolarHBondContact O-N 2.95Å; C224-R227 PolarHBondContact O-N 3.22Å; C224-L228 PolarHBondContact O-N 2.58Å; C224-L512 HydrophobicContact CB-CD1 4.25Å; C224-L512 HydrophobicContact CB-CD2 4.11Å; C224-P598 HydrophobicContact CB-CG 4.43Å; C224-I654 WeakPolarHBondContact CA-O 3.3Å; C224-I654 PolarHBondContact SG-O 2.73Å; C224-I654 VanDerWaalsContact SG-O 3.37Å
225	I	98.7	Very high	97	Very high	4 Å²	4	17 Å²	17	2%	0.021	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-46.4	176.3	-70.3	167.8	0	0	0	110.3	V200 I221 G222 R227 L228 L229 I409 V411 V443 L596	V200-I225 HydrophobicContact CG2-CG2 4.46Å; I221-I225 HydrophobicContact CG2-CD1 3.85Å; I221-I225 WeakPolarHBondContact O-CG1 3.39Å; I221-I225 PolarHBondContact O-N 3.45Å; G222-I225 PolarHBondContact O-N 3.19Å; I225-R227 PolarHBondContact O-N 3.03Å; I225-L228 PolarHBondContact O-N 3.38Å; I225-L229 HydrophobicContact CG2-CD1 3.7Å; I225-L229 HydrophobicContact CG2-CG 4.3Å; I225-L229 VanDerWaalsContact O-CG 3.24Å; I225-L229 WeakPolarHBondContact O-CG 3.36Å; I225-L229 PolarHBondContact O-N 3.08Å; I225-I409 HydrophobicContact CG2-CD1 3.86Å; I225-V411 HydrophobicContact CD1-CG2 4.28Å; I225-V443 HydrophobicContact CD1-CG1 3.94Å; I225-V443 HydrophobicContact CD1-CG2 4.4Å; I225-L596 HydrophobicContact CD1-CB 4.17Å; I225-L596 HydrophobicContact CG1-CD2 4.42Å; I225-L596 HydrophobicContact CG2-CD2 4.04Å
226	C	98.7	Very high	97.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.1	-47.1	178	-64.1	0	0	0	0	111.7	V200 F202 G222 D223 L228 L229 E230 V236 R238	V200-C226 VanDerWaalsContact CB-SG 3.53Å; F202-C226 VanDerWaalsContact CE1-SG 3.58Å; G222-C226 PolarHBondContact O-N 3.18Å; G222-C226 PolarHBondContact O-SG 3.2Å; D223-C226 PolarHBondContact O-N 3.4Å; C226-L228 VanDerWaalsContact C-N 3.34Å; C226-L228 PolarHBondContact O-N 3.24Å; C226-L229 PolarHBondContact O-N 3.19Å; C226-E230 WeakPolarHBondContact O-CB 3.47Å; C226-E230 VanDerWaalsContact O-CG 3.28Å; C226-E230 WeakPolarHBondContact O-CG 3.42Å; C226-E230 PolarHBondContact O-N 3.34Å; C226-V236 HydrophobicContact CB-CG1 4.06Å; C226-R238 HydrophobicContact CB-CG 4.04Å
227	R	98.5	Very high	97.4	Very high	30 Å²	30	17.9 Å²	17.9	11%	0.113	10%	0.095	C	C	.	.	H	α-helix	trans	-61.7	-40.3	179.3	-72.6	163.8	171.2	-86	0.7	112.1	D223 C224 I225 Y231 D331 N653	D223-R227 VanDerWaalsContact CG-NE 3.28Å; D223-R227 WeakPolarHBondContact O-CB 3.4Å; D223-R227 WeakPolarHBondContact O-CD 3.32Å; D223-R227 VanDerWaalsContact O-CG 3.25Å; D223-R227 WeakPolarHBondContact O-CG 3.19Å; D223-R227 PolarHBondContact O-N 2.99Å; D223-R227 IonicContact OD1-NE 2.94Å; D223-R227 PolarHBondContact OD1-NE 3.29Å; D223-R227 VanDerWaalsContact OD1-NE 3.08Å; D223-R227 WeakPolarHBondContact OD2-CD 3.47Å; D223-R227 IonicContact OD2-CZ 2.96Å; D223-R227 IonicContact OD2-NE 3.98Å; D223-R227 PolarHBondContact OD2-NE 3.07Å; D223-R227 IonicContact OD2-NH2 3.01Å; C224-R227 PolarHBondContact O-N 3.22Å; I225-R227 PolarHBondContact O-N 3.03Å; R227-Y231 WeakPolarHBondContact O-CB 3.24Å; R227-Y231 PolarHBondContact O-N 2.92Å; R227-D331 IonicContact CZ-OD2 3.98Å; R227-D331 PolarHBondContact NH2-O 3.48Å; R227-D331 IonicContact NH2-OD2 3.34Å; R227-D331 PolarHBondContact NH2-OD2 2.82Å; R227-N653 VanDerWaalsContact CD-O 3.32Å; R227-N653 WeakPolarHBondContact CD-O 3.49Å; R227-N653 PolarHBondContact NH1-O 2.89Å; R227-N653 VanDerWaalsContact NH1-O 3.16Å; R227-N653 PolarHBondContact NH1-OD1 2.77Å
228	L	97.7	Very high	97.5	Very high	2 Å²	2	19 Å²	19	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-62.5	-48	174.3	175.1	60.1	0	0	0	111.7	C224 I225 C226 Y231 V232 L589 V592 L593 I654	C224-L228 PolarHBondContact O-N 2.58Å; I225-L228 PolarHBondContact O-N 3.38Å; C226-L228 VanDerWaalsContact C-N 3.34Å; C226-L228 PolarHBondContact O-N 3.24Å; L228-Y231 PolarHBondContact O-N 3.39Å; L228-V232 HydrophobicContact CD1-CG2 4.23Å; L228-V232 VanDerWaalsContact O-CG2 3.23Å; L228-V232 WeakPolarHBondContact O-CG2 3.43Å; L228-V232 PolarHBondContact O-N 3.38Å; L228-V232 VanDerWaalsContact O-N 3.09Å; L228-L589 HydrophobicContact CD1-CB 4.41Å; L228-L589 HydrophobicContact CD1-CD2 3.98Å; L228-V592 HydrophobicContact CD2-CB 3.85Å; L228-V592 HydrophobicContact CD2-CG1 3.42Å; L228-V592 VanDerWaalsContact CD2-CG1 3.42Å; L228-L593 HydrophobicContact CD1-CD2 4.47Å; L228-L593 HydrophobicContact CD1-CG 4.4Å; L228-L593 HydrophobicContact CD2-CD2 4.14Å; L228-L593 HydrophobicContact CD2-CG 4.14Å; L228-L593 HydrophobicContact CG-CD2 3.96Å; L228-L593 HydrophobicContact CG-CG 4.25Å; L228-I654 HydrophobicContact CB-CG2 3.79Å; L228-I654 HydrophobicContact CD1-CD1 4.24Å; L228-I654 HydrophobicContact CD1-CG2 4.34Å
229	L	97.3	Very high	97.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.7	-43.9	-178.2	-68.6	171.2	0	0	0	111.6	V198 V200 I225 C226 V232 G233 F234 V236 W407 I409 L593	V198-L229 HydrophobicContact CB-CD1 4.39Å; V198-L229 HydrophobicContact CG1-CD1 3.8Å; V200-L229 HydrophobicContact CG2-CD1 4.02Å; I225-L229 HydrophobicContact CG2-CD1 3.7Å; I225-L229 HydrophobicContact CG2-CG 4.3Å; I225-L229 VanDerWaalsContact O-CG 3.24Å; I225-L229 WeakPolarHBondContact O-CG 3.36Å; I225-L229 PolarHBondContact O-N 3.08Å; C226-L229 PolarHBondContact O-N 3.19Å; L229-V232 PolarHBondContact O-N 3.48Å; L229-G233 PolarHBondContact O-N 2.64Å; L229-G233 VanDerWaalsContact O-N 3.1Å; L229-F234 HydrophobicContact CB-CB 4.15Å; L229-F234 HydrophobicContact CB-CD2 4.05Å; L229-F234 HydrophobicContact CB-CG 4.42Å; L229-F234 HydrophobicContact CD2-CD2 3.66Å; L229-F234 HydrophobicContact CD2-CE2 3.88Å; L229-F234 HydrophobicContact CD2-CG 4.32Å; L229-F234 HydrophobicContact CG-CD2 4.48Å; L229-F234 WeakPolarHBondContact O-CB 3.42Å; L229-F234 WeakPolarHBondContact O-CD2 3.42Å; L229-F234 PolarHBondContact O-N 3.17Å; L229-V236 HydrophobicContact CB-CG2 3.61Å; L229-W407 HydrophobicContact CD2-CE3 4.24Å; L229-W407 HydrophobicContact CD2-CH2 4.15Å; L229-W407 HydrophobicContact CD2-CZ3 3.54Å; L229-I409 HydrophobicContact CD1-CD1 3.85Å; L229-L593 HydrophobicContact CD2-CD2 3.92Å
230	E	97.2	Very high	97.6	Very high	79 Å²	79	18.9 Å²	18.9	37%	0.369	10%	0.098	S	C	.	.	H	α-helix	trans	-62.9	-42.6	174.4	-72.3	165.1	-173.2	0	0	112	C226 V232 G233 V236 R238	C226-E230 WeakPolarHBondContact O-CB 3.47Å; C226-E230 VanDerWaalsContact O-CG 3.28Å; C226-E230 WeakPolarHBondContact O-CG 3.42Å; C226-E230 PolarHBondContact O-N 3.34Å; E230-V232 PolarHBondContact O-N 2.92Å; E230-G233 WeakPolarHBondContact O-CA 3.29Å; E230-G233 PolarHBondContact O-N 3.16Å; E230-V236 HydrophobicContact CG-CB 3.81Å; E230-V236 HydrophobicContact CG-CG2 3.69Å; E230-R238 IonicContact OE1-CZ 2.7Å; E230-R238 VanDerWaalsContact OE1-CZ 3.23Å; E230-R238 IonicContact OE1-NE 3.95Å; E230-R238 PolarHBondContact OE1-NE 2.86Å; E230-R238 IonicContact OE1-NH2 3.83Å; E230-R238 PolarHBondContact OE1-NH2 3.39Å; E230-R238 IonicContact OE2-CZ 2.7Å; E230-R238 IonicContact OE2-NE 2.72Å; E230-R238 IonicContact OE2-NH2 3.17Å; E230-R238 PolarHBondContact OE2-NH2 2.86Å
231	Y	95.5	Very high	97.5	Very high	50 Å²	50	19.6 Å²	19.6	20%	0.196	10%	0.101	C	C	.	.	H	α-helix	trans	-58.9	-33.5	176.6	176	-109.6	0	0	0	111.9	I188 P190 R227 L228 G233 L589 T650 I654	I188-Y231 PolarHBondContact O-OH 3.32Å; P190-Y231 HydrophobicContact CB-CD1 3.99Å; P190-Y231 HydrophobicContact CB-CE1 3.74Å; P190-Y231 VanDerWaalsContact CG-O 3.32Å; P190-Y231 WeakPolarHBondContact CG-O 3.45Å; R227-Y231 WeakPolarHBondContact O-CB 3.24Å; R227-Y231 PolarHBondContact O-N 2.92Å; L228-Y231 PolarHBondContact O-N 3.39Å; Y231-G233 VanDerWaalsContact C-N 3.32Å; Y231-L589 HydrophobicContact CD1-CD1 4.09Å; Y231-L589 HydrophobicContact CE1-CD1 3.56Å; Y231-T650 HydrophobicContact CD2-CG2 4.5Å; Y231-T650 HydrophobicContact CE1-CG2 4.07Å; Y231-T650 HydrophobicContact CE2-CG2 3.79Å; Y231-I654 HydrophobicContact CD1-CD1 3.84Å; Y231-I654 HydrophobicContact CD1-CG1 4.45Å; Y231-I654 HydrophobicContact CE1-CD1 4.24Å; Y231-I654 HydrophobicContact CG-CD1 4.31Å; Y231-I654 HydrophobicContact CG-CG1 4.46Å
232	V	92.9	Very high	97.4	Very high	12 Å²	12	19.5 Å²	19.5	7%	0.073	10%	0.101	C	C	.	.	H	α-helix	trans	-83.9	-9.3	177.6	177.6	0	0	0	0	112.5	P190 L193 L228 L229 E230 F234 L593	P190-V232 HydrophobicContact CB-CB 4.26Å; P190-V232 HydrophobicContact CB-CG2 3.86Å; L193-V232 HydrophobicContact CB-CG1 4.18Å; L193-V232 HydrophobicContact CD1-CG1 3.79Å; L193-V232 HydrophobicContact CG-CG1 4.09Å; L228-V232 HydrophobicContact CD1-CG2 4.23Å; L228-V232 VanDerWaalsContact O-CG2 3.23Å; L228-V232 WeakPolarHBondContact O-CG2 3.43Å; L228-V232 PolarHBondContact O-N 3.38Å; L228-V232 VanDerWaalsContact O-N 3.09Å; L229-V232 PolarHBondContact O-N 3.48Å; E230-V232 PolarHBondContact O-N 2.92Å; V232-F234 HydrophobicContact CB-CD2 4.28Å; V232-F234 HydrophobicContact CB-CE2 4.35Å; V232-F234 HydrophobicContact CG1-CD2 4.25Å; V232-F234 HydrophobicContact CG1-CE2 3.91Å; V232-L593 HydrophobicContact CB-CD2 4.47Å; V232-L593 HydrophobicContact CG1-CD1 4.18Å; V232-L593 HydrophobicContact CG2-CD1 3.81Å; V232-L593 HydrophobicContact CG2-CD2 4.08Å; V232-L593 HydrophobicContact CG2-CG 4.4Å
233	G	93.9	Very high	97.2	Very high	32 Å²	32	19.7 Å²	19.7	33%	0.33	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	15.5	172.9	0	0	0	0	0	115.2	L229 E230 Y231	L229-G233 PolarHBondContact O-N 2.64Å; L229-G233 VanDerWaalsContact O-N 3.1Å; E230-G233 WeakPolarHBondContact O-CA 3.29Å; E230-G233 PolarHBondContact O-N 3.16Å; Y231-G233 VanDerWaalsContact C-N 3.32Å
234	F	96.1	Very high	97	Very high	25 Å²	25	20 Å²	20	11%	0.11	11%	0.105	C	C	.	.			trans	-68.3	148.2	168.1	-69.7	-81	0	0	0	111	L193 K196 V198 L229 V232 V236 L593	L193-F234 HydrophobicContact CB-CZ 4.44Å; L193-F234 HydrophobicContact CD1-CE2 3.99Å; L193-F234 HydrophobicContact CD1-CZ 3.98Å; K196-F234 HydrophobicContact CB-CD1 3.83Å; K196-F234 HydrophobicContact CB-CE1 3.84Å; K196-F234 HydrophobicContact CG-CE1 4.33Å; K196-F234 WeakPolarHBondContact O-CD1 3.49Å; V198-F234 HydrophobicContact CG2-CB 3.92Å; V198-F234 HydrophobicContact CG2-CD1 3.56Å; V198-F234 HydrophobicContact CG2-CE1 4.32Å; V198-F234 HydrophobicContact CG2-CG 3.88Å; L229-F234 HydrophobicContact CB-CB 4.15Å; L229-F234 HydrophobicContact CB-CD2 4.05Å; L229-F234 HydrophobicContact CB-CG 4.42Å; L229-F234 HydrophobicContact CD2-CD2 3.66Å; L229-F234 HydrophobicContact CD2-CE2 3.88Å; L229-F234 HydrophobicContact CD2-CG 4.32Å; L229-F234 HydrophobicContact CG-CD2 4.48Å; L229-F234 WeakPolarHBondContact O-CB 3.42Å; L229-F234 WeakPolarHBondContact O-CD2 3.42Å; L229-F234 PolarHBondContact O-N 3.17Å; V232-F234 HydrophobicContact CB-CD2 4.28Å; V232-F234 HydrophobicContact CB-CE2 4.35Å; V232-F234 HydrophobicContact CG1-CD2 4.25Å; V232-F234 HydrophobicContact CG1-CE2 3.91Å; F234-V236 HydrophobicContact CB-CG2 3.98Å; F234-V236 PolarHBondContact O-N 3.37Å; F234-L593 HydrophobicContact CE2-CD2 4.28Å
235	D	97.9	Very high	96.6	Very high	85 Å²	85	20.7 Å²	20.7	46%	0.455	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	103.7	168.5	172.9	26.6	0	0	0	108.6	K196 R197 V198	K196-D235 PolarHBondContact O-N 3.45Å; R197-D235 CarbonylContact C-O 3.42Å; R197-D235 WeakPolarHBondContact CA-O 3.31Å; R197-D235 IonicContact CZ-OD2 3.27Å; R197-D235 IonicContact NH1-OD1 3.35Å; R197-D235 IonicContact NH1-OD2 2.87Å; R197-D235 PolarHBondContact NH1-OD2 3.45Å; V198-D235 PolarHBondContact N-O 3.3Å
236	V	98.5	Very high	96	Very high	20 Å²	20	21.5 Å²	21.5	12%	0.121	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.5	-169.8	-175.9	0	0	0	0	111.4	V198 V200 C226 L229 E230 F234 R238	V198-V236 CarbonylContact O-C 3.55Å; V198-V236 WeakPolarHBondContact O-CA 3.46Å; V200-V236 HydrophobicContact CG2-CG1 4.01Å; C226-V236 HydrophobicContact CB-CG1 4.06Å; L229-V236 HydrophobicContact CB-CG2 3.61Å; E230-V236 HydrophobicContact CG-CB 3.81Å; E230-V236 HydrophobicContact CG-CG2 3.69Å; F234-V236 HydrophobicContact CB-CG2 3.98Å; F234-V236 PolarHBondContact O-N 3.37Å; V236-R238 HydrophobicContact CG1-CG 4.07Å
237	L	98.7	Very high	95.3	Very high	23 Å²	23	25.5 Å²	25.5	12%	0.12	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	108.2	167.1	-178.7	63.5	0	0	0	109.8	V198 V199 V200 L239 V335 E403	V198-L237 PolarHBondContact O-N 3.06Å; V199-L237 WeakPolarHBondContact CA-O 3.46Å; V199-L237 HydrophobicContact CG2-CB 4.12Å; V199-L237 HydrophobicContact CG2-CD2 4.11Å; V200-L237 PolarHBondContact N-O 2.96Å; L237-L239 HydrophobicContact CD1-CD2 4.1Å; L237-L239 HydrophobicContact CD2-CD1 4.22Å; L237-L239 HydrophobicContact CD2-CD2 3.78Å; L237-L239 HydrophobicContact CD2-CG 3.98Å; L237-L239 HydrophobicContact CG-CD2 3.76Å; L237-L239 HydrophobicContact CG-CG 3.9Å; L237-L239 PolarHBondContact O-N 3.19Å; L237-V335 HydrophobicContact CD1-CB 4.48Å; L237-V335 HydrophobicContact CD1-CG2 4.21Å; L237-E403 HydrophobicContact CD2-CG 3.99Å; L237-E403 WeakPolarHBondContact CD2-OE2 3.27Å
238	R	98.7	Very high	94.9	Very high	25 Å²	25	26.7 Å²	26.7	9%	0.094	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	90	179.2	-54.5	-173.4	177.9	-147.7	0.2	110.6	V200 F202 D223 C226 E230 V236 K333 L334 V335	V200-R238 CarbonylContact O-C 3.11Å; F202-R238 HydrophobicContact CE1-CB 3.97Å; F202-R238 HydrophobicContact CE1-CG 4.49Å; F202-R238 HydrophobicContact CZ-CB 4.47Å; D223-R238 IonicContact OD1-CZ 3.92Å; D223-R238 IonicContact OD1-NH1 2.77Å; D223-R238 PolarHBondContact OD1-NH1 3.25Å; C226-R238 HydrophobicContact CB-CG 4.04Å; E230-R238 IonicContact OE1-CZ 2.7Å; E230-R238 VanDerWaalsContact OE1-CZ 3.23Å; E230-R238 IonicContact OE1-NE 3.95Å; E230-R238 PolarHBondContact OE1-NE 2.86Å; E230-R238 IonicContact OE1-NH2 3.83Å; E230-R238 PolarHBondContact OE1-NH2 3.39Å; E230-R238 IonicContact OE2-CZ 2.7Å; E230-R238 IonicContact OE2-NE 2.72Å; E230-R238 IonicContact OE2-NH2 3.17Å; E230-R238 PolarHBondContact OE2-NH2 2.86Å; V236-R238 HydrophobicContact CG1-CG 4.07Å; R238-K333 WeakPolarHBondContact CD-O 3.48Å; R238-L334 HydrophobicContact CB-CD2 4.3Å; R238-V335 PolarHBondContact O-N 3.45Å
239	L	98.5	Very high	94.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	138.8	-178.5	-68.8	-175.9	0	0	0	111.9	V199 V200 D201 F202 L237 V335 R337 R399	V199-L239 HydrophobicContact CG1-CD1 3.59Å; V199-L239 HydrophobicContact CG1-CG 4.03Å; V200-L239 PolarHBondContact O-N 3.32Å; D201-L239 WeakPolarHBondContact CA-O 3.37Å; F202-L239 PolarHBondContact N-O 2.93Å; F202-L239 VanDerWaalsContact N-O 3.13Å; L237-L239 HydrophobicContact CD1-CD2 4.1Å; L237-L239 HydrophobicContact CD2-CD1 4.22Å; L237-L239 HydrophobicContact CD2-CD2 3.78Å; L237-L239 HydrophobicContact CD2-CG 3.98Å; L237-L239 HydrophobicContact CG-CD2 3.76Å; L237-L239 HydrophobicContact CG-CG 3.9Å; L237-L239 PolarHBondContact O-N 3.19Å; L239-V335 HydrophobicContact CD2-CB 4.38Å; L239-V335 HydrophobicContact CD2-CG1 4.48Å; L239-R337 HydrophobicContact CD2-CB 4.19Å; L239-R399 HydrophobicContact CD1-CG 4.24Å
240	N	98	Very high	94.5	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	95.9	165.6	-177.8	20.6	0	0	0	108.6	F202 A204 P205 V242 Y327 L334 V335 R337	F202-N240 PolarHBondContact O-OD1 3.08Å; A204-N240 WeakPolarHBondContact CA-OD1 3.3Å; A204-N240 PolarHBondContact N-OD1 3.49Å; P205-N240 VanDerWaalsContact CD-OD1 3.26Å; P205-N240 WeakPolarHBondContact CD-OD1 3.5Å; N240-V242 VanDerWaalsContact C-N 3.3Å; N240-V242 VanDerWaalsContact ND2-CG1 3.3Å; N240-V242 WeakPolarHBondContact ND2-CG1 3.08Å; N240-V242 PolarHBondContact O-N 3.49Å; N240-Y327 PolarHBondContact ND2-OH 2.64Å; N240-L334 HydrophobicContact CB-CB 4.03Å; N240-L334 HydrophobicContact CB-CD1 4.14Å; N240-L334 HydrophobicContact CB-CD2 4.02Å; N240-L334 HydrophobicContact CB-CG 4.28Å; N240-V335 PolarHBondContact N-O 2.74Å; N240-R337 PolarHBondContact O-N 2.92Å
241	H	97.1	Very high	94.5	Very high	16 Å²	16	23.1 Å²	23.1	7%	0.074	13%	0.131	C	C	.	.			trans	-78.6	76.9	179.5	-164.9	71.9	0	0	0	111.5	D201 A204 R337 Y342 D392	D201-H241 VanDerWaalsContact OD1-CB 3.29Å; D201-H241 WeakPolarHBondContact OD1-CB 3.45Å; D201-H241 PolarHBondContact OD1-N 3.09Å; D201-H241 WeakPolarHBondContact OD2-CB 3.41Å; A204-H241 WeakPolarHBondContact CB-O 3.23Å; H241-R337 WeakPolarHBondContact CA-O 3.43Å; H241-R337 PolarHBondContact ND1-O 3.14Å; H241-Y342 AromaticContact CE1-CD2 3.57Å; H241-Y342 AromaticContact CE1-CE2 3.27Å; H241-Y342 WeakPolarHBondContact CE1-CE2 3.47Å; H241-Y342 AromaticContact ND1-CE2 3.44Å; H241-Y342 WeakPolarHBondContact ND1-CE2 3.36Å; H241-D392 IonicContact NE2-OD1 2.57Å
242	V	96.1	Very high	94.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.122	C	C	.	.			trans	-71.1	142.5	-177.4	-64	0	0	0	0	112.4	P205 N240 D244 E336 G338 E339	P205-V242 HydrophobicContact CG-CG1 4.18Å; P205-V242 VanDerWaalsContact O-CA 3.28Å; P205-V242 WeakPolarHBondContact O-CA 3.46Å; P205-V242 WeakPolarHBondContact O-CB 3.22Å; N240-V242 VanDerWaalsContact C-N 3.3Å; N240-V242 VanDerWaalsContact ND2-CG1 3.3Å; N240-V242 WeakPolarHBondContact ND2-CG1 3.08Å; N240-V242 PolarHBondContact O-N 3.49Å; V242-D244 VanDerWaalsContact C-N 3.29Å; V242-D244 HydrophobicContact CG2-CB 3.97Å; V242-D244 PolarHBondContact O-N 3.48Å; V242-E336 HydrophobicContact CG1-CG 4.18Å; V242-E336 HydrophobicContact CG2-CG 3.72Å; V242-G338 WeakPolarHBondContact O-CA 3.4Å; V242-E339 PolarHBondContact O-N 3.31Å; V242-E339 VanDerWaalsContact O-N 3.16Å
243	G	94.3	Very high	94.6	Very high	4 Å²	4	20.2 Å²	20.2	4%	0.041	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-75.3	80.8	170.1	0	0	0	0	0	110.5	P205 I207	P205-G243 PolarHBondContact O-N 3.02Å; I207-G243 PolarHBondContact N-O 3.01Å
244	D	94.4	Very high	94.7	Very high	6 Å²	6	18.7 Å²	18.7	3%	0.032	10%	0.103	C	C	.	.			trans	-110.3	7.4	-176.6	72.7	-16.6	0	0	0	113.8	I207 V242 F249 W312 G338 E339 S340	I207-D244 HydrophobicContact CG1-CB 3.7Å; V242-D244 VanDerWaalsContact C-N 3.29Å; V242-D244 HydrophobicContact CG2-CB 3.97Å; V242-D244 PolarHBondContact O-N 3.48Å; D244-F249 VanDerWaalsContact C-CZ 3.45Å; D244-F249 WeakPolarHBondContact O-CE2 3.4Å; D244-F249 VanDerWaalsContact O-CZ 3.28Å; D244-F249 WeakPolarHBondContact O-CZ 3.29Å; D244-W312 HydrophobicContact CB-CZ2 4.27Å; D244-W312 PolarHBondContact O-NE1 3.18Å; D244-G338 WeakPolarHBondContact OD1-CA 3.48Å; D244-E339 PolarHBondContact OD1-N 3.39Å; D244-S340 VanDerWaalsContact CG-OG 3.31Å; D244-S340 WeakPolarHBondContact OD1-CB 3.33Å; D244-S340 PolarHBondContact OD1-N 3.18Å; D244-S340 PolarHBondContact OD1-OG 3.2Å; D244-S340 WeakPolarHBondContact OD2-CB 3.31Å; D244-S340 PolarHBondContact OD2-OG 2.94Å
245	W	90.7	Very high	94.7	Very high	17 Å²	17	17.5 Å²	17.5	6%	0.064	10%	0.098	C	C	.	.			trans	-129.7	156.8	178.5	-153.9	-115.1	0	0	0	111.9	Q248 L301 Q302 W312 E339 S340 H343	W245-Q248 PolarHBondContact O-NE2 3.06Å; W245-L301 HydrophobicContact CE3-CD2 4.45Å; W245-L301 HydrophobicContact CH2-CD1 4.21Å; W245-L301 HydrophobicContact CH2-CD2 4.38Å; W245-L301 HydrophobicContact CH2-CG 3.8Å; W245-L301 HydrophobicContact CZ3-CD1 4.08Å; W245-L301 HydrophobicContact CZ3-CD2 4.07Å; W245-L301 HydrophobicContact CZ3-CG 3.87Å; W245-Q302 HydrophobicContact CZ2-CB 4.44Å; W245-Q302 HydrophobicContact CZ2-CG 3.89Å; W245-W312 HydrophobicContact CE3-CZ2 4.38Å; W245-W312 HydrophobicContact CZ3-CZ2 4.48Å; W245-E339 HydrophobicContact CB-CB 3.77Å; W245-S340 VanDerWaalsContact CE3-CB 3.49Å; W245-H343 AromaticContact CE2-CG 3.86Å; W245-H343 AromaticContact CE2-ND1 3.91Å; W245-H343 HydrophobicContact CZ2-CB 4.42Å; W245-H343 AromaticContact CZ2-CD2 3.64Å; W245-H343 AromaticContact CZ2-CG 3.81Å; W245-H343 AromaticContact CZ2-NE2 3.89Å; W245-H343 AromaticContact NE1-CE1 3.65Å; W245-H343 AromaticContact NE1-CG 3.65Å; W245-H343 AromaticContact NE1-ND1 3.25Å; W245-H343 PolarHBondContact NE1-ND1 3.3Å
246	G	85.9	Confident	94.6	Very high	21 Å²	21	13.5 Å²	13.5	22%	0.216	8%	0.076	C	C	.	.	S	Bend	trans	126.2	-179.1	175.8	0	0	0	0	0	115.6	Q248 F249	G246-Q248 VanDerWaalsContact C-N 3.26Å; G246-Q248 PolarHBondContact O-N 3.43Å; G246-F249 PolarHBondContact O-N 3.46Å
247	T	83.6	Confident	94.5	Very high	84 Å²	84	14.7 Å²	14.7	52%	0.515	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.5	-168	50	0	0	0	0	113.9	F249 G250 V298	T247-F249 PolarHBondContact O-N 3.35Å; T247-G250 PolarHBondContact O-N 3.45Å; T247-V298 HydrophobicContact CG2-CG1 4.39Å; T247-V298 VanDerWaalsContact O-CG2 3.28Å; T247-V298 WeakPolarHBondContact O-CG2 3.2Å
248	Q	89.2	Confident	94.3	Very high	56 Å²	56	16.4 Å²	16.4	26%	0.262	9%	0.09	S	C	.	.	H	α-helix	trans	-61.5	-26	177.1	63.7	-80.2	0.4	0	0	113.2	W245 G246 M251 L252 Y277	W245-Q248 PolarHBondContact O-NE2 3.06Å; G246-Q248 VanDerWaalsContact C-N 3.26Å; G246-Q248 PolarHBondContact O-N 3.43Å; Q248-M251 WeakPolarHBondContact O-CB 3.36Å; Q248-M251 PolarHBondContact O-N 3.34Å; Q248-L252 WeakPolarHBondContact O-CG 3.42Å; Q248-L252 PolarHBondContact O-N 2.9Å; Q248-L252 VanDerWaalsContact O-N 3.08Å; Q248-Y277 HydrophobicContact CB-CE2 4.16Å
249	F	93.6	Very high	94	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-72.5	-34.2	-178.4	-74	-78.7	0	0	0	113	I207 D244 G246 T247 M251 L252 I253 L301 W312 I315	I207-F249 HydrophobicContact CB-CE1 4.28Å; I207-F249 HydrophobicContact CB-CZ 3.81Å; I207-F249 HydrophobicContact CG1-CZ 4.45Å; I207-F249 HydrophobicContact CG2-CE1 3.75Å; I207-F249 HydrophobicContact CG2-CZ 3.82Å; D244-F249 VanDerWaalsContact C-CZ 3.45Å; D244-F249 WeakPolarHBondContact O-CE2 3.4Å; D244-F249 VanDerWaalsContact O-CZ 3.28Å; D244-F249 WeakPolarHBondContact O-CZ 3.29Å; G246-F249 PolarHBondContact O-N 3.46Å; T247-F249 PolarHBondContact O-N 3.35Å; F249-M251 VanDerWaalsContact C-N 3.27Å; F249-M251 PolarHBondContact O-N 3.24Å; F249-L252 HydrophobicContact CD1-CD1 4.29Å; F249-L252 PolarHBondContact O-N 3.15Å; F249-I253 HydrophobicContact CB-CD1 4.44Å; F249-I253 WeakPolarHBondContact O-CB 3.44Å; F249-I253 WeakPolarHBondContact O-CD1 3.46Å; F249-I253 WeakPolarHBondContact O-CG1 3.5Å; F249-I253 PolarHBondContact O-N 2.67Å; F249-L301 HydrophobicContact CB-CD2 3.71Å; F249-L301 HydrophobicContact CG-CD2 4.48Å; F249-W312 AromaticContact CD1-CD1 3.41Å; F249-W312 VanDerWaalsContact CD1-CD1 3.41Å; F249-W312 AromaticContact CD1-NE1 3.91Å; F249-W312 AromaticContact CE1-CD1 3.7Å; F249-W312 AromaticContact CE1-NE1 3.8Å; F249-W312 AromaticContact CG-CD1 3.82Å; F249-I315 HydrophobicContact CD1-CG2 4.45Å; F249-I315 HydrophobicContact CE1-CG2 4.14Å
250	G	94.6	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.7	-38	174.5	0	0	0	0	0	112	T247 A254 A294 A297	T247-G250 PolarHBondContact O-N 3.45Å; G250-A254 VanDerWaalsContact O-CB 3.3Å; G250-A254 WeakPolarHBondContact O-CB 3.3Å; G250-A254 PolarHBondContact O-N 2.75Å; G250-A294 CarbonylContact C-O 3.53Å; G250-A294 VanDerWaalsContact CA-O 3.32Å; G250-A294 WeakPolarHBondContact CA-O 3.29Å; G250-A297 WeakPolarHBondContact O-CB 3.41Å
251	M	95.2	Very high	93.4	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-49	172	176.7	-172.9	70.9	0	0	112.1	Q248 F249 I253 H255 Y277 S280 R281 F284 F290 A294	Q248-M251 WeakPolarHBondContact O-CB 3.36Å; Q248-M251 PolarHBondContact O-N 3.34Å; F249-M251 VanDerWaalsContact C-N 3.27Å; F249-M251 PolarHBondContact O-N 3.24Å; M251-I253 PolarHBondContact O-N 3.45Å; M251-H255 WeakPolarHBondContact O-CB 3.41Å; M251-H255 PolarHBondContact O-N 2.96Å; M251-Y277 HydrophobicContact CE-CD2 3.8Å; M251-Y277 HydrophobicContact CE-CE2 3.47Å; M251-Y277 VanDerWaalsContact CE-CE2 3.47Å; M251-S280 VanDerWaalsContact CE-OG 3.28Å; M251-S280 WeakPolarHBondContact CE-OG 3.49Å; M251-S280 VanDerWaalsContact SD-C 3.59Å; M251-R281 HydrophobicContact CE-CB 4.35Å; M251-R281 VanDerWaalsContact SD-CA 3.5Å; M251-R281 HydrophobicContact SD-CB 4.11Å; M251-F284 HydrophobicContact CB-CD2 4.19Å; M251-F284 HydrophobicContact CG-CB 4Å; M251-F284 HydrophobicContact CG-CD2 4.17Å; M251-F284 HydrophobicContact CG-CG 4.37Å; M251-F284 HydrophobicContact SD-CB 3.61Å; M251-F284 HydrophobicContact SD-CD2 4.37Å; M251-F284 HydrophobicContact SD-CG 4.05Å; M251-F290 HydrophobicContact CG-CE1 3.99Å; M251-F290 HydrophobicContact CG-CZ 4.16Å; M251-F290 WeakPolarHBondContact O-CZ 3.39Å; M251-A294 HydrophobicContact CB-CB 4.14Å
252	L	95.6	Very high	93.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-41	178.9	-70.4	168.2	0	0	0	112.2	A208 Q248 F249 H255 L256 F276 Y277 I315	A208-L252 HydrophobicContact CB-CD1 3.78Å; Q248-L252 WeakPolarHBondContact O-CG 3.42Å; Q248-L252 PolarHBondContact O-N 2.9Å; Q248-L252 VanDerWaalsContact O-N 3.08Å; F249-L252 HydrophobicContact CD1-CD1 4.29Å; F249-L252 PolarHBondContact O-N 3.15Å; L252-H255 PolarHBondContact O-N 2.94Å; L252-L256 WeakPolarHBondContact O-CB 3.43Å; L252-L256 PolarHBondContact O-N 3.24Å; L252-F276 HydrophobicContact CD2-CD1 3.72Å; L252-F276 HydrophobicContact CD2-CE1 3.92Å; L252-Y277 HydrophobicContact CD1-CD2 4.3Å; L252-Y277 HydrophobicContact CD2-CD2 4.02Å; L252-Y277 HydrophobicContact CG-CD2 4.33Å; L252-I315 HydrophobicContact CB-CD1 3.72Å; L252-I315 HydrophobicContact CD1-CG2 4.16Å
253	I	96.3	Very high	92.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-48.2	178.8	-68	163	0	0	0	110.8	F249 M251 H255 L256 Q257 L301 Y308 A311 W312 I315	F249-I253 HydrophobicContact CB-CD1 4.44Å; F249-I253 WeakPolarHBondContact O-CB 3.44Å; F249-I253 WeakPolarHBondContact O-CD1 3.46Å; F249-I253 WeakPolarHBondContact O-CG1 3.5Å; F249-I253 PolarHBondContact O-N 2.67Å; M251-I253 PolarHBondContact O-N 3.45Å; I253-H255 PolarHBondContact O-N 3.38Å; I253-L256 WeakPolarHBondContact O-CB 3.32Å; I253-L256 PolarHBondContact O-N 3.2Å; I253-L256 VanDerWaalsContact O-N 3.15Å; I253-Q257 HydrophobicContact CG2-CG 4.44Å; I253-Q257 VanDerWaalsContact O-CG 3.31Å; I253-Q257 WeakPolarHBondContact O-CG 3.4Å; I253-Q257 PolarHBondContact O-N 3.16Å; I253-L301 HydrophobicContact CD1-CB 4.35Å; I253-L301 HydrophobicContact CD1-CD1 4.37Å; I253-L301 HydrophobicContact CD1-CD2 3.95Å; I253-L301 HydrophobicContact CD1-CG 4.45Å; I253-Y308 HydrophobicContact CG2-CD1 3.64Å; I253-Y308 HydrophobicContact CG2-CE1 4.09Å; I253-A311 HydrophobicContact CB-CB 4.35Å; I253-A311 HydrophobicContact CG1-CB 3.95Å; I253-A311 HydrophobicContact CG2-CB 3.73Å; I253-W312 HydrophobicContact CD1-CB 4.11Å; I253-I315 HydrophobicContact CG1-CD1 3.98Å
254	A	96.4	Very high	92.6	Very high	1 Å²	1	35 Å²	35	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-37.9	176.4	0	0	0	0	0	111.2	G250 D258 F290 A294	G250-A254 VanDerWaalsContact O-CB 3.3Å; G250-A254 WeakPolarHBondContact O-CB 3.3Å; G250-A254 PolarHBondContact O-N 2.75Å; A254-D258 PolarHBondContact O-N 2.64Å; A254-F290 HydrophobicContact CB-CD2 4.41Å; A254-F290 HydrophobicContact CB-CE2 3.79Å; A254-F290 HydrophobicContact CB-CZ 4.29Å; A254-A294 HydrophobicContact CB-CB 4.43Å
255	H	96.2	Very high	92.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.6	-40	176.1	-164.6	53.4	0	0	0	112.6	M251 L252 I253 D258 R259 F276 E279 R283 F290	M251-H255 WeakPolarHBondContact O-CB 3.41Å; M251-H255 PolarHBondContact O-N 2.96Å; L252-H255 PolarHBondContact O-N 2.94Å; I253-H255 PolarHBondContact O-N 3.38Å; H255-D258 PolarHBondContact O-N 2.91Å; H255-R259 WeakPolarHBondContact O-CB 3.44Å; H255-R259 PolarHBondContact O-N 3.42Å; H255-F276 HydrophobicContact CB-CE1 4.29Å; H255-F276 HydrophobicContact CB-CZ 4Å; H255-F276 AromaticContact CD2-CD2 3.65Å; H255-F276 AromaticContact CD2-CE1 3.81Å; H255-F276 AromaticContact CD2-CE2 3.27Å; H255-F276 WeakPolarHBondContact CD2-CE2 3.23Å; H255-F276 AromaticContact CD2-CZ 3.37Å; H255-F276 WeakPolarHBondContact CD2-CZ 3.38Å; H255-F276 AromaticContact CG-CZ 3.97Å; H255-F276 AromaticContact NE2-CE2 3.89Å; H255-E279 VanDerWaalsContact CE1-CD 3.49Å; H255-E279 IonicContact CE1-OE1 3.39Å; H255-E279 PolarHBondContact CE1-OE1 3Å; H255-E279 VanDerWaalsContact NE2-CD 3.27Å; H255-E279 IonicContact NE2-OE1 2.76Å; H255-E279 PolarHBondContact NE2-OE1 3.27Å; H255-E279 IonicContact NE2-OE2 3.92Å; H255-R283 PolarHBondContact ND1-NH1 3.03Å; H255-F290 HydrophobicContact CB-CE2 4.14Å; H255-F290 HydrophobicContact CB-CZ 3.98Å
256	L	95.4	Very high	92	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.1	-45.6	176.7	179.2	76.1	0	0	0	110.8	L252 I253 D258 R259 F260 Y263 P268 L270 F276 A311 L314 I315	L252-L256 WeakPolarHBondContact O-CB 3.43Å; L252-L256 PolarHBondContact O-N 3.24Å; I253-L256 WeakPolarHBondContact O-CB 3.32Å; I253-L256 PolarHBondContact O-N 3.2Å; I253-L256 VanDerWaalsContact O-N 3.15Å; L256-D258 VanDerWaalsContact C-N 3.29Å; L256-D258 PolarHBondContact O-N 3.42Å; L256-R259 PolarHBondContact O-N 2.9Å; L256-F260 HydrophobicContact CD1-CD2 4.03Å; L256-F260 CarbonylContact O-C 3.48Å; L256-F260 WeakPolarHBondContact O-CA 3.46Å; L256-F260 PolarHBondContact O-N 2.81Å; L256-Y263 HydrophobicContact CD2-CD1 4.46Å; L256-Y263 HydrophobicContact CD2-CD2 3.9Å; L256-Y263 HydrophobicContact CD2-CE2 4.29Å; L256-Y263 HydrophobicContact CD2-CG 4Å; L256-Y263 HydrophobicContact CG-CD1 4.45Å; L256-Y263 HydrophobicContact CG-CG 4.2Å; L256-P268 HydrophobicContact CD1-CB 4.43Å; L256-P268 HydrophobicContact CD1-CG 4.11Å; L256-L270 HydrophobicContact CD1-CD1 3.59Å; L256-F276 HydrophobicContact CB-CZ 3.97Å; L256-F276 HydrophobicContact CD1-CZ 4.36Å; L256-A311 HydrophobicContact CD2-CB 3.78Å; L256-L314 HydrophobicContact CD1-CD2 4.44Å; L256-L314 HydrophobicContact CD2-CD2 4.11Å; L256-I315 HydrophobicContact CD2-CD1 4.49Å
257	Q	95.1	Very high	91.8	Very high	46 Å²	46	46.2 Å²	46.2	22%	0.215	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-38.6	177.5	-71.5	170.6	-13.3	0	0	112	I253 P261 Y263	I253-Q257 HydrophobicContact CG2-CG 4.44Å; I253-Q257 VanDerWaalsContact O-CG 3.31Å; I253-Q257 WeakPolarHBondContact O-CG 3.4Å; I253-Q257 PolarHBondContact O-N 3.16Å; Q257-P261 WeakPolarHBondContact O-CA 3.27Å; Q257-P261 WeakPolarHBondContact O-CG 3.4Å; Q257-Y263 HydrophobicContact CG-CE1 3.98Å
258	D	94.6	Very high	91.8	Very high	58 Å²	58	43 Å²	43	31%	0.31	24%	0.236	S	C	.	.	H	α-helix	trans	-72.9	-44.6	178.3	-69.4	-11.5	0	0	0	112.6	A254 H255 L256 R283 R293	A254-D258 PolarHBondContact O-N 2.64Å; H255-D258 PolarHBondContact O-N 2.91Å; L256-D258 VanDerWaalsContact C-N 3.29Å; L256-D258 PolarHBondContact O-N 3.42Å; D258-R283 IonicContact OD2-CZ 2.68Å; D258-R283 IonicContact OD2-NH1 2.77Å; D258-R283 PolarHBondContact OD2-NH1 2.99Å; D258-R283 IonicContact OD2-NH2 2.86Å; D258-R283 PolarHBondContact OD2-NH2 3.29Å; D258-R293 IonicContact OD1-CZ 2.78Å; D258-R293 IonicContact OD1-NH1 3.81Å; D258-R293 PolarHBondContact OD1-NH1 3.37Å; D258-R293 IonicContact OD1-NH2 2.73Å; D258-R293 PolarHBondContact OD1-NH2 3.03Å; D258-R293 IonicContact OD2-CZ 3.14Å; D258-R293 IonicContact OD2-NH1 3.88Å; D258-R293 PolarHBondContact OD2-NH1 2.84Å; D258-R293 IonicContact OD2-NH2 3.71Å; D258-R293 PolarHBondContact OD2-NH2 3.36Å
259	R	93.5	Very high	91.5	Very high	123 Å²	123	45.5 Å²	45.5	46%	0.464	26%	0.257	S	S	.	.	H	α-helix	trans	-77.8	-33.4	-175.1	-79.4	-66.1	-167.1	87.5	-18.4	113	H255 L256 F276 E279	H255-R259 WeakPolarHBondContact O-CB 3.44Å; H255-R259 PolarHBondContact O-N 3.42Å; L256-R259 PolarHBondContact O-N 2.9Å; R259-F276 HydrophobicContact CB-CE2 4.48Å; R259-E279 IonicContact CZ-OE1 3.48Å; R259-E279 IonicContact CZ-OE2 3.41Å; R259-E279 IonicContact NE-OE1 2.73Å; R259-E279 PolarHBondContact NE-OE1 3.34Å; R259-E279 IonicContact NH1-OE1 3.21Å; R259-E279 IonicContact NH1-OE2 2.77Å; R259-E279 PolarHBondContact NH1-OE2 2.83Å; R259-E279 IonicContact NH2-OE1 3.23Å; R259-E279 PolarHBondContact NH2-OE1 3.31Å; R259-E279 IonicContact NH2-OE2 3.59Å; R259-E279 PolarHBondContact NH2-OE2 3.13Å
260	F	93.6	Very high	90.8	Very high	41 Å²	41	46.6 Å²	46.6	18%	0.18	26%	0.262	C	S	.	.			trans	-135.3	71.2	-177	-54	-76	0	0	0	109.9	L256 N262 Y263 P268 P269 L270 F276	L256-F260 HydrophobicContact CD1-CD2 4.03Å; L256-F260 CarbonylContact O-C 3.48Å; L256-F260 WeakPolarHBondContact O-CA 3.46Å; L256-F260 PolarHBondContact O-N 2.81Å; F260-N262 PolarHBondContact O-N 3.45Å; F260-Y263 VanDerWaalsContact O-CB 3.31Å; F260-Y263 WeakPolarHBondContact O-CB 3.47Å; F260-Y263 VanDerWaalsContact O-CD1 3.3Å; F260-Y263 WeakPolarHBondContact O-CD1 3.49Å; F260-Y263 PolarHBondContact O-N 3.04Å; F260-P268 HydrophobicContact CB-CB 4.02Å; F260-P268 HydrophobicContact CD1-CB 3.91Å; F260-P268 HydrophobicContact CD2-CB 3.81Å; F260-P268 HydrophobicContact CE1-CB 4.35Å; F260-P268 HydrophobicContact CE2-CB 4.24Å; F260-P268 HydrophobicContact CG-CB 3.61Å; F260-P268 HydrophobicContact CZ-CB 4.48Å; F260-P269 HydrophobicContact CE1-CG 3.92Å; F260-P269 HydrophobicContact CZ-CG 4.35Å; F260-L270 HydrophobicContact CE2-CD2 3.66Å; F260-L270 HydrophobicContact CE2-CG 4.06Å; F260-L270 HydrophobicContact CZ-CD2 4.22Å; F260-F276 HydrophobicContact CE2-CE2 4.18Å
261	P	90.3	Very high	89.9	Confident	100 Å²	100	51.7 Å²	51.7	65%	0.649	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.2	-178.1	-25.2	34.2	0	0	0	114.1	Q257	Q257-P261 WeakPolarHBondContact O-CA 3.27Å; Q257-P261 WeakPolarHBondContact O-CG 3.4Å
262	N	91.4	Very high	89.3	Confident	79 Å²	79	55 Å²	55	42%	0.422	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	16.1	176.7	65.7	-21.4	0	0	0	114.2	F260 K264 T265 V266	F260-N262 PolarHBondContact O-N 3.45Å; N262-K264 PolarHBondContact O-N 3.44Å; N262-T265 PolarHBondContact O-N 2.92Å; N262-T265 PolarHBondContact O-OG1 3.25Å; N262-V266 WeakPolarHBondContact ND2-CG2 3.32Å; N262-V266 PolarHBondContact O-N 3.43Å
263	Y	90.6	Very high	88.9	Confident	14 Å²	14	55.2 Å²	55.2	6%	0.055	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-22.8	-177.8	75.8	-86.8	0	0	0	114	L256 Q257 F260 T265 V266 E307 A311 L314	L256-Y263 HydrophobicContact CD2-CD1 4.46Å; L256-Y263 HydrophobicContact CD2-CD2 3.9Å; L256-Y263 HydrophobicContact CD2-CE2 4.29Å; L256-Y263 HydrophobicContact CD2-CG 4Å; L256-Y263 HydrophobicContact CG-CD1 4.45Å; L256-Y263 HydrophobicContact CG-CG 4.2Å; Q257-Y263 HydrophobicContact CG-CE1 3.98Å; F260-Y263 VanDerWaalsContact O-CB 3.31Å; F260-Y263 WeakPolarHBondContact O-CB 3.47Å; F260-Y263 VanDerWaalsContact O-CD1 3.3Å; F260-Y263 WeakPolarHBondContact O-CD1 3.49Å; F260-Y263 PolarHBondContact O-N 3.04Å; Y263-T265 VanDerWaalsContact C-N 3.33Å; Y263-V266 CarbonylContact C-O 3.49Å; Y263-V266 WeakPolarHBondContact CA-O 3.45Å; Y263-E307 PolarHBondContact OH-O 3.35Å; Y263-A311 HydrophobicContact CE2-CB 3.74Å; Y263-L314 HydrophobicContact CD2-CD2 4.04Å
264	K	87.8	Confident	88.3	Confident	83 Å²	83	57.6 Å²	57.6	36%	0.361	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.8	177.6	-62	-178.6	-177.9	171.7	0	113.2	N262 E307	N262-K264 PolarHBondContact O-N 3.44Å; K264-E307 IonicContact NZ-OE1 3.13Å; K264-E307 PolarHBondContact NZ-OE1 3.22Å; K264-E307 IonicContact NZ-OE2 2.74Å; K264-E307 PolarHBondContact NZ-OE2 3.19Å
265	T	88.1	Confident	87.9	Confident	122 Å²	122	59.7 Å²	59.7	75%	0.748	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-25.5	-175.6	56.3	0	0	0	0	113	N262 Y263	N262-T265 PolarHBondContact O-N 2.92Å; N262-T265 PolarHBondContact O-OG1 3.25Å; Y263-T265 VanDerWaalsContact C-N 3.33Å
266	V	84.9	Confident	87.7	Confident	75 Å²	75	60.1 Å²	60.1	46%	0.455	35%	0.347	S	S	.	.	S	Bend	trans	-120.9	121	177.6	-177.4	0	0	0	0	108.4	N262 Y263 P268	N262-V266 WeakPolarHBondContact ND2-CG2 3.32Å; N262-V266 PolarHBondContact O-N 3.43Å; Y263-V266 CarbonylContact C-O 3.49Å; Y263-V266 WeakPolarHBondContact CA-O 3.45Å; V266-P268 WeakPolarHBondContact O-CD 3.36Å
267	A	81.5	Confident	87.5	Confident	83 Å²	83	62.7 Å²	62.7	69%	0.686	36%	0.358	S	S	*	.			trans	-58.7	121.1	174.1	0	0	0	0	0	109.2
268	P	83.2	Confident	87.2	Confident	16 Å²	16	66.1 Å²	66.1	10%	0.104	37%	0.372	C	S	.	.			trans	-69.5	141.2	-177.9	31.2	-36.7	0	0	0	109.4	L256 F260 V266 L270 L314	L256-P268 HydrophobicContact CD1-CB 4.43Å; L256-P268 HydrophobicContact CD1-CG 4.11Å; F260-P268 HydrophobicContact CB-CB 4.02Å; F260-P268 HydrophobicContact CD1-CB 3.91Å; F260-P268 HydrophobicContact CD2-CB 3.81Å; F260-P268 HydrophobicContact CE1-CB 4.35Å; F260-P268 HydrophobicContact CE2-CB 4.24Å; F260-P268 HydrophobicContact CG-CB 3.61Å; F260-P268 HydrophobicContact CZ-CB 4.48Å; V266-P268 WeakPolarHBondContact O-CD 3.36Å; P268-L270 HydrophobicContact CB-CD1 4.15Å; P268-L270 HydrophobicContact CB-CG 4.05Å; P268-L270 HydrophobicContact CG-CD1 3.88Å; P268-L270 HydrophobicContact CG-CG 4.19Å; P268-L270 PolarHBondContact O-N 2.89Å; P268-L314 HydrophobicContact CG-CD1 4.48Å; P268-L314 HydrophobicContact CG-CD2 3.49Å; P268-L314 VanDerWaalsContact CG-CD2 3.49Å; P268-L314 HydrophobicContact CG-CG 4.18Å
269	P	83.3	Confident	87.2	Confident	108 Å²	108	66.2 Å²	66.2	70%	0.701	37%	0.37	S	S	*	.			trans	-75.7	58.2	178.1	33.7	-38	0	0	0	111.4	F260 S271	F260-P269 HydrophobicContact CE1-CG 3.92Å; F260-P269 HydrophobicContact CZ-CG 4.35Å; P269-S271 PolarHBondContact O-N 3.47Å
270	L	79	Confident	87.2	Confident	23 Å²	23	60.3 Å²	60.3	12%	0.12	35%	0.348	C	S	.	.			trans	-91.1	93.2	177.8	-70.4	174.5	0	0	0	109.6	L256 F260 P268 F276 I318	L256-L270 HydrophobicContact CD1-CD1 3.59Å; F260-L270 HydrophobicContact CE2-CD2 3.66Å; F260-L270 HydrophobicContact CE2-CG 4.06Å; F260-L270 HydrophobicContact CZ-CD2 4.22Å; P268-L270 HydrophobicContact CB-CD1 4.15Å; P268-L270 HydrophobicContact CB-CG 4.05Å; P268-L270 HydrophobicContact CG-CD1 3.88Å; P268-L270 HydrophobicContact CG-CG 4.19Å; P268-L270 PolarHBondContact O-N 2.89Å; L270-F276 HydrophobicContact CD1-CE2 4.49Å; L270-F276 HydrophobicContact CD2-CB 4.31Å; L270-F276 HydrophobicContact CD2-CD2 3.38Å; L270-F276 HydrophobicContact CD2-CE2 3.74Å; L270-F276 HydrophobicContact CD2-CG 3.89Å; L270-I318 HydrophobicContact CB-CD1 3.52Å; L270-I318 HydrophobicContact CD1-CD1 3.85Å; L270-I318 HydrophobicContact CG-CD1 4.34Å
271	S	76.3	Confident	87.2	Confident	107 Å²	107	63.5 Å²	63.5	75%	0.748	36%	0.359	S	S	*	.			trans	-94.7	-32.9	172.4	55.1	0	0	0	0	113.1	P269	P269-S271 PolarHBondContact O-N 3.47Å
272	D	82.9	Confident	87.5	Confident	75 Å²	75	63 Å²	63	40%	0.401	35%	0.354	S	S	.	.			trans	-112	87.5	178.8	-172.2	-16.3	0	0	0	110.5	Q274 A275 F276	D272-Q274 PolarHBondContact O-N 2.87Å; D272-Q274 WeakPolarHBondContact OD1-CB 3.28Å; D272-Q274 PolarHBondContact OD1-N 3.31Å; D272-Q274 VanDerWaalsContact OD1-N 3.08Å; D272-A275 HydrophobicContact CB-CB 4.06Å; D272-A275 VanDerWaalsContact CG-CB 3.45Å; D272-A275 PolarHBondContact O-N 2.86Å; D272-A275 PolarHBondContact OD1-N 3.46Å; D272-A275 WeakPolarHBondContact OD2-CB 3.2Å; D272-F276 PolarHBondContact O-N 3.47Å; D272-F276 VanDerWaalsContact O-N 3.15Å
273	L	86.8	Confident	87.7	Confident	5 Å²	5	62 Å²	62	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-69.2	-21.6	179.8	-169.6	60	0	0	0	112.6	A208 F276 Y277 I315 I318 S319	A208-L273 HydrophobicContact CB-CD2 3.83Å; A208-L273 HydrophobicContact CB-CG 3.83Å; L273-F276 HydrophobicContact CD1-CB 4.34Å; L273-F276 HydrophobicContact CD1-CD1 3.9Å; L273-F276 HydrophobicContact CD1-CG 4.42Å; L273-Y277 WeakPolarHBondContact O-CB 3.31Å; L273-Y277 PolarHBondContact O-N 3.26Å; L273-I315 HydrophobicContact CD1-CG2 4.27Å; L273-I315 HydrophobicContact CD2-CG2 4.05Å; L273-I315 WeakPolarHBondContact CD2-O 3.5Å; L273-I318 HydrophobicContact CB-CG2 4.13Å; L273-I318 HydrophobicContact CD2-CB 4.32Å; L273-I318 HydrophobicContact CD2-CG2 4.28Å; L273-S319 VanDerWaalsContact CD2-OG 3.25Å; L273-S319 WeakPolarHBondContact CD2-OG 3.22Å
274	Q	84.6	Confident	87.9	Confident	51 Å²	51	63 Å²	63	24%	0.238	35%	0.348	C	S	.	.	H	α-helix	trans	-74.5	-43.1	176.7	-171.3	-169.8	93.6	0	0	111.2	E210 D272 F276 Y277 K278	E210-Q274 HydrophobicContact CG-CB 4.33Å; E210-Q274 VanDerWaalsContact OE2-CD 3.31Å; E210-Q274 PolarHBondContact OE2-NE2 2.92Å; D272-Q274 PolarHBondContact O-N 2.87Å; D272-Q274 WeakPolarHBondContact OD1-CB 3.28Å; D272-Q274 PolarHBondContact OD1-N 3.31Å; D272-Q274 VanDerWaalsContact OD1-N 3.08Å; Q274-F276 VanDerWaalsContact C-N 3.29Å; Q274-F276 PolarHBondContact O-N 3.38Å; Q274-Y277 PolarHBondContact O-N 2.82Å; Q274-K278 WeakPolarHBondContact O-CG 3.45Å; Q274-K278 PolarHBondContact O-N 2.91Å
275	A	87.3	Confident	88.2	Confident	45 Å²	45	63.3 Å²	63.3	37%	0.372	35%	0.354	S	S	.	.	H	α-helix	trans	-59.9	-43.8	171.9	0	0	0	0	0	110.6	D272 Y277 K278 E279	D272-A275 HydrophobicContact CB-CB 4.06Å; D272-A275 VanDerWaalsContact CG-CB 3.45Å; D272-A275 PolarHBondContact O-N 2.86Å; D272-A275 PolarHBondContact OD1-N 3.46Å; D272-A275 WeakPolarHBondContact OD2-CB 3.2Å; A275-Y277 PolarHBondContact O-N 3.28Å; A275-K278 PolarHBondContact O-N 3.2Å; A275-E279 WeakPolarHBondContact O-CB 3.39Å; A275-E279 PolarHBondContact O-N 3.01Å
276	F	91.1	Very high	88.5	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.035	35%	0.352	C	S	.	.	H	α-helix	trans	-59.6	-43.3	174.9	-173.3	-95.7	0	0	0	112.5	L252 H255 L256 R259 F260 L270 D272 L273 Q274 E279 S280	L252-F276 HydrophobicContact CD2-CD1 3.72Å; L252-F276 HydrophobicContact CD2-CE1 3.92Å; H255-F276 HydrophobicContact CB-CE1 4.29Å; H255-F276 HydrophobicContact CB-CZ 4Å; H255-F276 AromaticContact CD2-CD2 3.65Å; H255-F276 AromaticContact CD2-CE1 3.81Å; H255-F276 AromaticContact CD2-CE2 3.27Å; H255-F276 WeakPolarHBondContact CD2-CE2 3.23Å; H255-F276 AromaticContact CD2-CZ 3.37Å; H255-F276 WeakPolarHBondContact CD2-CZ 3.38Å; H255-F276 AromaticContact CG-CZ 3.97Å; H255-F276 AromaticContact NE2-CE2 3.89Å; L256-F276 HydrophobicContact CB-CZ 3.97Å; L256-F276 HydrophobicContact CD1-CZ 4.36Å; R259-F276 HydrophobicContact CB-CE2 4.48Å; F260-F276 HydrophobicContact CE2-CE2 4.18Å; L270-F276 HydrophobicContact CD1-CE2 4.49Å; L270-F276 HydrophobicContact CD2-CB 4.31Å; L270-F276 HydrophobicContact CD2-CD2 3.38Å; L270-F276 HydrophobicContact CD2-CE2 3.74Å; L270-F276 HydrophobicContact CD2-CG 3.89Å; D272-F276 PolarHBondContact O-N 3.47Å; D272-F276 VanDerWaalsContact O-N 3.15Å; L273-F276 HydrophobicContact CD1-CB 4.34Å; L273-F276 HydrophobicContact CD1-CD1 3.9Å; L273-F276 HydrophobicContact CD1-CG 4.42Å; Q274-F276 VanDerWaalsContact C-N 3.29Å; Q274-F276 PolarHBondContact O-N 3.38Å; F276-E279 PolarHBondContact O-N 2.99Å; F276-S280 WeakPolarHBondContact O-CB 3.46Å; F276-S280 PolarHBondContact O-N 3.25Å; F276-S280 PolarHBondContact O-OG 3.46Å
277	Y	90.9	Very high	89.1	Confident	55 Å²	55	63 Å²	63	22%	0.216	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-50.5	173.3	176.2	-88.9	0	0	0	112	A208 Q248 M251 L252 L273 Q274 A275 E279 S280 R281	A208-Y277 HydrophobicContact CB-CD2 4.4Å; Q248-Y277 HydrophobicContact CB-CE2 4.16Å; M251-Y277 HydrophobicContact CE-CD2 3.8Å; M251-Y277 HydrophobicContact CE-CE2 3.47Å; M251-Y277 VanDerWaalsContact CE-CE2 3.47Å; L252-Y277 HydrophobicContact CD1-CD2 4.3Å; L252-Y277 HydrophobicContact CD2-CD2 4.02Å; L252-Y277 HydrophobicContact CG-CD2 4.33Å; L273-Y277 WeakPolarHBondContact O-CB 3.31Å; L273-Y277 PolarHBondContact O-N 3.26Å; Q274-Y277 PolarHBondContact O-N 2.82Å; A275-Y277 PolarHBondContact O-N 3.28Å; Y277-E279 VanDerWaalsContact C-N 3.28Å; Y277-E279 PolarHBondContact O-N 3.31Å; Y277-S280 PolarHBondContact O-N 3Å; Y277-S280 PolarHBondContact O-OG 3.38Å; Y277-R281 HydrophobicContact CE1-CB 4.47Å; Y277-R281 WeakPolarHBondContact O-CB 2.82Å; Y277-R281 PolarHBondContact O-N 3.31Å
278	K	90.7	Very high	89.8	Confident	118 Å²	118	62.7 Å²	62.7	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-57.4	-43.5	179.8	-74.5	172.2	-177.9	165.9	0	111.3	Q274 A275 R281 V282	Q274-K278 WeakPolarHBondContact O-CG 3.45Å; Q274-K278 PolarHBondContact O-N 2.91Å; A275-K278 PolarHBondContact O-N 3.2Å; K278-R281 PolarHBondContact O-N 2.87Å; K278-V282 WeakPolarHBondContact O-CG2 3.48Å; K278-V282 PolarHBondContact O-N 2.85Å
279	E	93.3	Very high	90.4	Very high	59 Å²	59	65 Å²	65	28%	0.276	36%	0.363	S	S	.	.	H	α-helix	trans	-62.7	-49.9	177	-164.7	-163.4	148.1	0	0	111.9	H255 R259 A275 F276 Y277 R281 V282 R283	H255-E279 VanDerWaalsContact CE1-CD 3.49Å; H255-E279 IonicContact CE1-OE1 3.39Å; H255-E279 PolarHBondContact CE1-OE1 3Å; H255-E279 VanDerWaalsContact NE2-CD 3.27Å; H255-E279 IonicContact NE2-OE1 2.76Å; H255-E279 PolarHBondContact NE2-OE1 3.27Å; H255-E279 IonicContact NE2-OE2 3.92Å; R259-E279 IonicContact CZ-OE1 3.48Å; R259-E279 IonicContact CZ-OE2 3.41Å; R259-E279 IonicContact NE-OE1 2.73Å; R259-E279 PolarHBondContact NE-OE1 3.34Å; R259-E279 IonicContact NH1-OE1 3.21Å; R259-E279 IonicContact NH1-OE2 2.77Å; R259-E279 PolarHBondContact NH1-OE2 2.83Å; R259-E279 IonicContact NH2-OE1 3.23Å; R259-E279 PolarHBondContact NH2-OE1 3.31Å; R259-E279 IonicContact NH2-OE2 3.59Å; R259-E279 PolarHBondContact NH2-OE2 3.13Å; A275-E279 WeakPolarHBondContact O-CB 3.39Å; A275-E279 PolarHBondContact O-N 3.01Å; F276-E279 PolarHBondContact O-N 2.99Å; Y277-E279 VanDerWaalsContact C-N 3.28Å; Y277-E279 PolarHBondContact O-N 3.31Å; E279-R281 PolarHBondContact O-N 3.49Å; E279-V282 PolarHBondContact O-N 3.37Å; E279-R283 PolarHBondContact O-N 2.9Å; E279-R283 VanDerWaalsContact O-N 3.12Å
280	S	94.2	Very high	91.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-33.5	177.4	74.1	0	0	0	0	112.1	M251 F276 Y277 R283 F284 F290	M251-S280 VanDerWaalsContact CE-OG 3.28Å; M251-S280 WeakPolarHBondContact CE-OG 3.49Å; M251-S280 VanDerWaalsContact SD-C 3.59Å; F276-S280 WeakPolarHBondContact O-CB 3.46Å; F276-S280 PolarHBondContact O-N 3.25Å; F276-S280 PolarHBondContact O-OG 3.46Å; Y277-S280 PolarHBondContact O-N 3Å; Y277-S280 PolarHBondContact O-OG 3.38Å; S280-R283 PolarHBondContact O-N 2.86Å; S280-F284 WeakPolarHBondContact O-CB 3.38Å; S280-F284 PolarHBondContact O-N 3.25Å; S280-F290 WeakPolarHBondContact O-CE1 3.29Å
281	R	93.9	Very high	91.9	Very high	108 Å²	108	63.2 Å²	63.2	41%	0.408	34%	0.343	S	S	.	.	H	α-helix	trans	-68.9	-45.3	177.3	-176.6	63.2	-167.3	-142.5	8.3	112.6	M251 Y277 K278 E279 R283 F284 D285	M251-R281 HydrophobicContact CE-CB 4.35Å; M251-R281 VanDerWaalsContact SD-CA 3.5Å; M251-R281 HydrophobicContact SD-CB 4.11Å; Y277-R281 HydrophobicContact CE1-CB 4.47Å; Y277-R281 WeakPolarHBondContact O-CB 2.82Å; Y277-R281 PolarHBondContact O-N 3.31Å; K278-R281 PolarHBondContact O-N 2.87Å; E279-R281 PolarHBondContact O-N 3.49Å; R281-R283 PolarHBondContact O-N 2.81Å; R281-F284 WeakPolarHBondContact O-CB 3.37Å; R281-F284 PolarHBondContact O-N 2.81Å; R281-F284 VanDerWaalsContact O-N 3.13Å; R281-D285 IonicContact CZ-OD1 2.85Å; R281-D285 IonicContact CZ-OD2 3.32Å; R281-D285 IonicContact NE-OD1 2.82Å; R281-D285 PolarHBondContact NE-OD1 2.85Å; R281-D285 IonicContact NE-OD2 3.11Å; R281-D285 PolarHBondContact NE-OD2 3.26Å; R281-D285 IonicContact NH2-OD1 3.82Å; R281-D285 PolarHBondContact NH2-OD1 3.47Å; R281-D285 IonicContact NH2-OD2 3.8Å; R281-D285 PolarHBondContact O-N 3.26Å
282	V	95.2	Very high	92.8	Very high	89 Å²	89	64.3 Å²	64.3	54%	0.539	34%	0.337	S	S	.	.	H	α-helix	trans	-57.4	-40.4	174.5	171.2	0	0	0	0	110.5	K278 E279 N286	K278-V282 WeakPolarHBondContact O-CG2 3.48Å; K278-V282 PolarHBondContact O-N 2.85Å; E279-V282 PolarHBondContact O-N 3.37Å; V282-N286 WeakPolarHBondContact O-CB 3.46Å; V282-N286 PolarHBondContact O-N 3.4Å; V282-N286 VanDerWaalsContact O-N 3.16Å; V282-N286 PolarHBondContact O-ND2 2.94Å
283	R	95.9	Very high	93.4	Very high	57 Å²	57	65.3 Å²	65.3	22%	0.215	34%	0.335	C	S	.	.	H	α-helix	trans	-67.1	-43.3	175.1	-64.8	-177.5	65.3	-156.7	-13.1	112.2	H255 D258 E279 S280 R281 D285 N286 D287 F290	H255-R283 PolarHBondContact ND1-NH1 3.03Å; D258-R283 IonicContact OD2-CZ 2.68Å; D258-R283 IonicContact OD2-NH1 2.77Å; D258-R283 PolarHBondContact OD2-NH1 2.99Å; D258-R283 IonicContact OD2-NH2 2.86Å; D258-R283 PolarHBondContact OD2-NH2 3.29Å; E279-R283 PolarHBondContact O-N 2.9Å; E279-R283 VanDerWaalsContact O-N 3.12Å; S280-R283 PolarHBondContact O-N 2.86Å; R281-R283 PolarHBondContact O-N 2.81Å; R283-D285 VanDerWaalsContact C-N 3.27Å; R283-D285 PolarHBondContact O-N 2.82Å; R283-N286 PolarHBondContact O-N 3.38Å; R283-D287 WeakPolarHBondContact O-CB 3.44Å; R283-D287 PolarHBondContact O-N 3.39Å; R283-F290 VanDerWaalsContact C-CD1 3.48Å; R283-F290 HydrophobicContact CB-CD1 3.62Å; R283-F290 HydrophobicContact CB-CE1 3.71Å; R283-F290 HydrophobicContact CB-CG 4.12Å; R283-F290 HydrophobicContact CB-CZ 4.29Å
284	F	94.4	Very high	93.9	Very high	35 Å²	35	65.1 Å²	65.1	15%	0.154	33%	0.334	C	S	.	.	H	α-helix	trans	-58.6	-39.1	178.4	-172.3	-92.1	0	0	0	112.9	M251 S280 R281 F290 K291 A294 L295	M251-F284 HydrophobicContact CB-CD2 4.19Å; M251-F284 HydrophobicContact CG-CB 4Å; M251-F284 HydrophobicContact CG-CD2 4.17Å; M251-F284 HydrophobicContact CG-CG 4.37Å; M251-F284 HydrophobicContact SD-CB 3.61Å; M251-F284 HydrophobicContact SD-CD2 4.37Å; M251-F284 HydrophobicContact SD-CG 4.05Å; S280-F284 WeakPolarHBondContact O-CB 3.38Å; S280-F284 PolarHBondContact O-N 3.25Å; R281-F284 WeakPolarHBondContact O-CB 3.37Å; R281-F284 PolarHBondContact O-N 2.81Å; R281-F284 VanDerWaalsContact O-N 3.13Å; F284-F290 HydrophobicContact CB-CD1 4.3Å; F284-F290 HydrophobicContact CB-CE1 4Å; F284-K291 HydrophobicContact CD2-CB 4.47Å; F284-K291 HydrophobicContact CD2-CG 4.24Å; F284-K291 HydrophobicContact CE1-CD 4.42Å; F284-K291 HydrophobicContact CE1-CG 4.23Å; F284-K291 HydrophobicContact CE2-CB 4.47Å; F284-K291 HydrophobicContact CE2-CG 3.83Å; F284-K291 HydrophobicContact CZ-CD 4.43Å; F284-K291 HydrophobicContact CZ-CG 3.83Å; F284-A294 HydrophobicContact CD2-CB 3.63Å; F284-A294 HydrophobicContact CE2-CB 3.72Å; F284-L295 HydrophobicContact CE2-CG 4.49Å; F284-L295 HydrophobicContact CZ-CD2 4.38Å
285	D	94.3	Very high	94.3	Very high	90 Å²	90	66.3 Å²	66.3	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-80.2	-28.2	-177.9	-66.4	-30.9	0	0	0	112.4	R281 R283	R281-D285 IonicContact CZ-OD1 2.85Å; R281-D285 IonicContact CZ-OD2 3.32Å; R281-D285 IonicContact NE-OD1 2.82Å; R281-D285 PolarHBondContact NE-OD1 2.85Å; R281-D285 IonicContact NE-OD2 3.11Å; R281-D285 PolarHBondContact NE-OD2 3.26Å; R281-D285 IonicContact NH2-OD1 3.82Å; R281-D285 PolarHBondContact NH2-OD1 3.47Å; R281-D285 IonicContact NH2-OD2 3.8Å; R281-D285 PolarHBondContact O-N 3.26Å; R283-D285 VanDerWaalsContact C-N 3.27Å; R283-D285 PolarHBondContact O-N 2.82Å
286	N	96.1	Very high	94.6	Very high	132 Å²	132	66.6 Å²	66.6	71%	0.706	34%	0.344	S	S	*	.	H	α-helix	trans	-111.3	-15.7	-172.3	-63.1	-64.3	0	0	0	116.1	V282 R283	V282-N286 WeakPolarHBondContact O-CB 3.46Å; V282-N286 PolarHBondContact O-N 3.4Å; V282-N286 VanDerWaalsContact O-N 3.16Å; V282-N286 PolarHBondContact O-ND2 2.94Å; R283-N286 PolarHBondContact O-N 3.38Å
287	D	96.2	Very high	94.8	Very high	59 Å²	59	66.2 Å²	66.2	32%	0.316	34%	0.343	S	S	.	.			trans	-116.5	105.8	-179.2	174.7	-6	0	0	0	110	R283 A289 F290 K291	R283-D287 WeakPolarHBondContact O-CB 3.44Å; R283-D287 PolarHBondContact O-N 3.39Å; D287-A289 VanDerWaalsContact C-N 3.3Å; D287-A289 PolarHBondContact O-N 3.39Å; D287-A289 WeakPolarHBondContact OD1-CA 3.44Å; D287-A289 WeakPolarHBondContact OD1-CB 3.33Å; D287-A289 PolarHBondContact OD1-N 3.2Å; D287-F290 HydrophobicContact CB-CB 3.83Å; D287-F290 VanDerWaalsContact CG-CB 3.41Å; D287-F290 PolarHBondContact O-N 3.07Å; D287-F290 PolarHBondContact OD1-N 3.43Å; D287-F290 VanDerWaalsContact OD2-CB 3.27Å; D287-F290 WeakPolarHBondContact OD2-CB 3.37Å; D287-K291 WeakPolarHBondContact O-CB 3.4Å; D287-K291 PolarHBondContact O-N 3.35Å
288	A	95.9	Very high	94.9	Very high	76 Å²	76	64 Å²	64	63%	0.628	34%	0.335	S	S	*	.	H	α-helix	trans	-62.6	-34.6	-178.7	0	0	0	0	0	113.1	K291 Q292	A288-K291 PolarHBondContact O-N 2.95Å; A288-Q292 WeakPolarHBondContact O-CG 3.5Å; A288-Q292 PolarHBondContact O-N 3.47Å; A288-Q292 VanDerWaalsContact O-N 3.12Å
289	A	96.6	Very high	94.9	Very high	65 Å²	65	62.7 Å²	62.7	54%	0.537	34%	0.336	S	S	.	.	H	α-helix	trans	-71.7	-41.5	178.6	0	0	0	0	0	110.7	D287 Q292 R293	D287-A289 VanDerWaalsContact C-N 3.3Å; D287-A289 PolarHBondContact O-N 3.39Å; D287-A289 WeakPolarHBondContact OD1-CA 3.44Å; D287-A289 WeakPolarHBondContact OD1-CB 3.33Å; D287-A289 PolarHBondContact OD1-N 3.2Å; A289-Q292 PolarHBondContact O-N 2.91Å; A289-R293 PolarHBondContact O-N 2.8Å; A289-R293 VanDerWaalsContact O-N 3.15Å
290	F	96.9	Very high	95	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-41.1	172.6	177.5	-98	0	0	0	112	M251 A254 H255 S280 R283 F284 D287 Q292 R293 A294	M251-F290 HydrophobicContact CG-CE1 3.99Å; M251-F290 HydrophobicContact CG-CZ 4.16Å; M251-F290 WeakPolarHBondContact O-CZ 3.39Å; A254-F290 HydrophobicContact CB-CD2 4.41Å; A254-F290 HydrophobicContact CB-CE2 3.79Å; A254-F290 HydrophobicContact CB-CZ 4.29Å; H255-F290 HydrophobicContact CB-CE2 4.14Å; H255-F290 HydrophobicContact CB-CZ 3.98Å; S280-F290 WeakPolarHBondContact O-CE1 3.29Å; R283-F290 VanDerWaalsContact C-CD1 3.48Å; R283-F290 HydrophobicContact CB-CD1 3.62Å; R283-F290 HydrophobicContact CB-CE1 3.71Å; R283-F290 HydrophobicContact CB-CG 4.12Å; R283-F290 HydrophobicContact CB-CZ 4.29Å; F284-F290 HydrophobicContact CB-CD1 4.3Å; F284-F290 HydrophobicContact CB-CE1 4Å; D287-F290 HydrophobicContact CB-CB 3.83Å; D287-F290 VanDerWaalsContact CG-CB 3.41Å; D287-F290 PolarHBondContact O-N 3.07Å; D287-F290 PolarHBondContact OD1-N 3.43Å; D287-F290 VanDerWaalsContact OD2-CB 3.27Å; D287-F290 WeakPolarHBondContact OD2-CB 3.37Å; F290-Q292 VanDerWaalsContact C-N 3.34Å; F290-Q292 PolarHBondContact O-N 2.69Å; F290-R293 PolarHBondContact O-N 3.47Å; F290-A294 HydrophobicContact CE1-CB 4.49Å; F290-A294 WeakPolarHBondContact O-CB 3.5Å; F290-A294 PolarHBondContact O-N 3.31Å
291	K	96.2	Very high	95	Very high	93 Å²	93	63.4 Å²	63.4	40%	0.404	34%	0.34	S	S	.	.	H	α-helix	trans	-57	-45	175.6	-175.6	173.9	-178.1	174.3	0	112.3	F284 D287 A288 A294 L295	F284-K291 HydrophobicContact CD2-CB 4.47Å; F284-K291 HydrophobicContact CD2-CG 4.24Å; F284-K291 HydrophobicContact CE1-CD 4.42Å; F284-K291 HydrophobicContact CE1-CG 4.23Å; F284-K291 HydrophobicContact CE2-CB 4.47Å; F284-K291 HydrophobicContact CE2-CG 3.83Å; F284-K291 HydrophobicContact CZ-CD 4.43Å; F284-K291 HydrophobicContact CZ-CG 3.83Å; D287-K291 WeakPolarHBondContact O-CB 3.4Å; D287-K291 PolarHBondContact O-N 3.35Å; A288-K291 PolarHBondContact O-N 2.95Å; K291-A294 PolarHBondContact O-N 3.02Å; K291-L295 HydrophobicContact CG-CD1 4.45Å; K291-L295 WeakPolarHBondContact O-CG 3.49Å; K291-L295 PolarHBondContact O-N 2.83Å
292	Q	95.7	Very high	94.7	Very high	130 Å²	130	61.6 Å²	61.6	61%	0.607	34%	0.336	S	S	*	.	H	α-helix	trans	-63	-44.6	176.5	-71	-63.1	-18.5	0	0	112	A288 A289 F290 A294 L295 A296	A288-Q292 WeakPolarHBondContact O-CG 3.5Å; A288-Q292 PolarHBondContact O-N 3.47Å; A288-Q292 VanDerWaalsContact O-N 3.12Å; A289-Q292 PolarHBondContact O-N 2.91Å; F290-Q292 VanDerWaalsContact C-N 3.34Å; F290-Q292 PolarHBondContact O-N 2.69Å; Q292-A294 PolarHBondContact O-N 3.4Å; Q292-L295 PolarHBondContact O-N 3.5Å; Q292-A296 PolarHBondContact O-N 3.43Å
293	R	96.5	Very high	94.5	Very high	97 Å²	97	60.7 Å²	60.7	37%	0.366	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-40.5	175.6	-70.5	-169.4	-62	127	-7.9	112.6	D258 A289 F290 A296 A297	D258-R293 IonicContact OD1-CZ 2.78Å; D258-R293 IonicContact OD1-NH1 3.81Å; D258-R293 PolarHBondContact OD1-NH1 3.37Å; D258-R293 IonicContact OD1-NH2 2.73Å; D258-R293 PolarHBondContact OD1-NH2 3.03Å; D258-R293 IonicContact OD2-CZ 3.14Å; D258-R293 IonicContact OD2-NH1 3.88Å; D258-R293 PolarHBondContact OD2-NH1 2.84Å; D258-R293 IonicContact OD2-NH2 3.71Å; D258-R293 PolarHBondContact OD2-NH2 3.36Å; A289-R293 PolarHBondContact O-N 2.8Å; A289-R293 VanDerWaalsContact O-N 3.15Å; F290-R293 PolarHBondContact O-N 3.47Å; R293-A296 PolarHBondContact O-N 2.8Å; R293-A297 WeakPolarHBondContact O-CB 3.47Å; R293-A297 PolarHBondContact O-N 3.46Å
294	A	95.4	Very high	94.3	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.008	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-42.8	176.8	0	0	0	0	0	111.8	G250 M251 A254 F284 F290 K291 Q292 A297 V298	G250-A294 CarbonylContact C-O 3.53Å; G250-A294 VanDerWaalsContact CA-O 3.32Å; G250-A294 WeakPolarHBondContact CA-O 3.29Å; M251-A294 HydrophobicContact CB-CB 4.14Å; A254-A294 HydrophobicContact CB-CB 4.43Å; F284-A294 HydrophobicContact CD2-CB 3.63Å; F284-A294 HydrophobicContact CE2-CB 3.72Å; F290-A294 HydrophobicContact CE1-CB 4.49Å; F290-A294 WeakPolarHBondContact O-CB 3.5Å; F290-A294 PolarHBondContact O-N 3.31Å; K291-A294 PolarHBondContact O-N 3.02Å; Q292-A294 PolarHBondContact O-N 3.4Å; A294-A297 PolarHBondContact O-N 3.23Å; A294-V298 WeakPolarHBondContact O-CG2 3.12Å; A294-V298 PolarHBondContact O-N 2.82Å
295	L	93.1	Very high	94.4	Very high	75 Å²	75	64 Å²	64	39%	0.393	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-43.9	174.9	-68.8	172.8	0	0	0	111.8	F284 K291 Q292 A297 V298 V299	F284-L295 HydrophobicContact CE2-CG 4.49Å; F284-L295 HydrophobicContact CZ-CD2 4.38Å; K291-L295 HydrophobicContact CG-CD1 4.45Å; K291-L295 WeakPolarHBondContact O-CG 3.49Å; K291-L295 PolarHBondContact O-N 2.83Å; Q292-L295 PolarHBondContact O-N 3.5Å; L295-A297 VanDerWaalsContact C-N 3.3Å; L295-A297 PolarHBondContact O-N 3.18Å; L295-V298 WeakPolarHBondContact O-CB 3.38Å; L295-V298 PolarHBondContact O-N 2.95Å; L295-V299 PolarHBondContact O-N 3.44Å
296	A	94.7	Very high	94.5	Very high	52 Å²	52	64.5 Å²	64.5	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-60.3	-40	174.6	0	0	0	0	0	111.9	Q292 R293 V298 V299 E300	Q292-A296 PolarHBondContact O-N 3.43Å; R293-A296 PolarHBondContact O-N 2.8Å; A296-V298 VanDerWaalsContact C-N 3.29Å; A296-V298 PolarHBondContact O-N 3.35Å; A296-V299 WeakPolarHBondContact O-CB 3.47Å; A296-V299 PolarHBondContact O-N 2.98Å; A296-V299 VanDerWaalsContact O-N 3.08Å; A296-E300 WeakPolarHBondContact O-CG 3.4Å; A296-E300 PolarHBondContact O-N 3.2Å
297	A	95.9	Very high	94.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-31.2	177.8	0	0	0	0	0	113.5	G250 R293 A294 L295 L301 Y308	G250-A297 WeakPolarHBondContact O-CB 3.41Å; R293-A297 WeakPolarHBondContact O-CB 3.47Å; R293-A297 PolarHBondContact O-N 3.46Å; A294-A297 PolarHBondContact O-N 3.23Å; L295-A297 VanDerWaalsContact C-N 3.3Å; L295-A297 PolarHBondContact O-N 3.18Å; A297-L301 WeakPolarHBondContact O-CB 3.49Å; A297-L301 PolarHBondContact O-N 3.01Å; A297-Y308 HydrophobicContact CB-CD1 3.9Å; A297-Y308 HydrophobicContact CB-CE1 3.52Å
298	V	92	Very high	94.3	Very high	9 Å²	9	61.9 Å²	61.9	6%	0.055	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-44.4	171.9	-178.8	0	0	0	0	110.4	T247 A294 L295 A296 L301 Q302	T247-V298 HydrophobicContact CG2-CG1 4.39Å; T247-V298 VanDerWaalsContact O-CG2 3.28Å; T247-V298 WeakPolarHBondContact O-CG2 3.2Å; A294-V298 WeakPolarHBondContact O-CG2 3.12Å; A294-V298 PolarHBondContact O-N 2.82Å; L295-V298 WeakPolarHBondContact O-CB 3.38Å; L295-V298 PolarHBondContact O-N 2.95Å; A296-V298 VanDerWaalsContact C-N 3.29Å; A296-V298 PolarHBondContact O-N 3.35Å; V298-L301 PolarHBondContact O-N 3.33Å; V298-Q302 HydrophobicContact CG1-CG 4.36Å; V298-Q302 WeakPolarHBondContact O-CB 3.37Å; V298-Q302 VanDerWaalsContact O-CG 3.28Å; V298-Q302 WeakPolarHBondContact O-CG 3.46Å; V298-Q302 PolarHBondContact O-N 3.03Å
299	V	90.3	Very high	94.3	Very high	89 Å²	89	59.4 Å²	59.4	54%	0.539	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-46.2	179.9	178.9	0	0	0	0	110.5	L295 A296 L301 Q302 A303	L295-V299 PolarHBondContact O-N 3.44Å; A296-V299 WeakPolarHBondContact O-CB 3.47Å; A296-V299 PolarHBondContact O-N 2.98Å; A296-V299 VanDerWaalsContact O-N 3.08Å; V299-L301 VanDerWaalsContact C-N 3.34Å; V299-L301 PolarHBondContact O-N 3.45Å; V299-Q302 PolarHBondContact O-N 3.4Å; V299-A303 WeakPolarHBondContact O-CB 3.04Å; V299-A303 PolarHBondContact O-N 2.71Å
300	E	95.4	Very high	94.2	Very high	72 Å²	72	60.4 Å²	60.4	34%	0.336	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-39.8	177.1	-68.4	-62.4	139.6	0	0	112.5	A296 A303 Y304 N305 Y308	A296-E300 WeakPolarHBondContact O-CG 3.4Å; A296-E300 PolarHBondContact O-N 3.2Å; E300-A303 PolarHBondContact O-N 3.47Å; E300-Y304 PolarHBondContact O-N 3.32Å; E300-N305 HydrophobicContact CB-CB 4.2Å; E300-N305 VanDerWaalsContact O-CB 3.22Å; E300-N305 WeakPolarHBondContact O-CB 3.32Å; E300-N305 PolarHBondContact O-N 3.46Å; E300-N305 PolarHBondContact OE2-ND2 3.2Å; E300-Y308 HydrophobicContact CB-CD1 3.79Å; E300-Y308 HydrophobicContact CB-CD2 3.49Å; E300-Y308 VanDerWaalsContact CB-CD2 3.49Å; E300-Y308 HydrophobicContact CB-CE1 3.89Å; E300-Y308 HydrophobicContact CB-CE2 3.54Å; E300-Y308 HydrophobicContact CB-CG 3.6Å; E300-Y308 HydrophobicContact CG-CD2 4.19Å; E300-Y308 HydrophobicContact CG-CE1 4.28Å; E300-Y308 HydrophobicContact CG-CE2 3.71Å
301	L	94	Very high	94.1	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-44.3	174.2	177.7	63.7	0	0	0	111.5	W245 F249 I253 A297 V298 V299 A303 Y304 V309 W312	W245-L301 HydrophobicContact CE3-CD2 4.45Å; W245-L301 HydrophobicContact CH2-CD1 4.21Å; W245-L301 HydrophobicContact CH2-CD2 4.38Å; W245-L301 HydrophobicContact CH2-CG 3.8Å; W245-L301 HydrophobicContact CZ3-CD1 4.08Å; W245-L301 HydrophobicContact CZ3-CD2 4.07Å; W245-L301 HydrophobicContact CZ3-CG 3.87Å; F249-L301 HydrophobicContact CB-CD2 3.71Å; F249-L301 HydrophobicContact CG-CD2 4.48Å; I253-L301 HydrophobicContact CD1-CB 4.35Å; I253-L301 HydrophobicContact CD1-CD1 4.37Å; I253-L301 HydrophobicContact CD1-CD2 3.95Å; I253-L301 HydrophobicContact CD1-CG 4.45Å; A297-L301 WeakPolarHBondContact O-CB 3.49Å; A297-L301 PolarHBondContact O-N 3.01Å; V298-L301 PolarHBondContact O-N 3.33Å; V299-L301 VanDerWaalsContact C-N 3.34Å; V299-L301 PolarHBondContact O-N 3.45Å; L301-A303 VanDerWaalsContact C-N 3.28Å; L301-A303 PolarHBondContact O-N 3.23Å; L301-Y304 PolarHBondContact O-N 3.4Å; L301-V309 HydrophobicContact CD1-CG2 4.19Å; L301-W312 HydrophobicContact CD1-CB 3.63Å; L301-W312 HydrophobicContact CD1-CD2 4.4Å; L301-W312 HydrophobicContact CD1-CG 3.88Å; L301-W312 HydrophobicContact CD2-CB 4.37Å; L301-W312 HydrophobicContact CD2-CG 4.23Å
302	Q	89	Confident	94	Very high	69 Å²	69	57.5 Å²	57.5	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-67.8	-28.6	178.2	-72.4	174.8	-18	0	0	112.8	W245 V298 V299 Y304	W245-Q302 HydrophobicContact CZ2-CB 4.44Å; W245-Q302 HydrophobicContact CZ2-CG 3.89Å; V298-Q302 HydrophobicContact CG1-CG 4.36Å; V298-Q302 WeakPolarHBondContact O-CB 3.37Å; V298-Q302 VanDerWaalsContact O-CG 3.28Å; V298-Q302 WeakPolarHBondContact O-CG 3.46Å; V298-Q302 PolarHBondContact O-N 3.03Å; V299-Q302 PolarHBondContact O-N 3.4Å; Q302-Y304 PolarHBondContact O-N 2.99Å
303	A	90.9	Very high	93.9	Very high	71 Å²	71	56.6 Å²	56.6	59%	0.587	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	5.5	170.9	0	0	0	0	0	113.4	V299 E300 L301 N305	V299-A303 WeakPolarHBondContact O-CB 3.04Å; V299-A303 PolarHBondContact O-N 2.71Å; E300-A303 PolarHBondContact O-N 3.47Å; L301-A303 VanDerWaalsContact C-N 3.28Å; L301-A303 PolarHBondContact O-N 3.23Å; A303-N305 PolarHBondContact O-N 3.17Å
304	Y	92	Very high	93.8	Very high	117 Å²	117	53.9 Å²	53.9	46%	0.459	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	32.1	-176.4	-64.7	-81.7	0	0	0	114.1	E300 L301 Q302 P306 V309 H343	E300-Y304 PolarHBondContact O-N 3.32Å; L301-Y304 PolarHBondContact O-N 3.4Å; Q302-Y304 PolarHBondContact O-N 2.99Å; Y304-P306 WeakPolarHBondContact O-CD 3.42Å; Y304-P306 VanDerWaalsContact O-N 3.13Å; Y304-V309 HydrophobicContact CD1-CG2 4.47Å; Y304-H343 AromaticContact CE2-CD2 3.94Å; Y304-H343 AromaticContact CZ-CD2 3.89Å; Y304-H343 PolarHBondContact OH-CD2 2.84Å
305	N	95.8	Very high	93.7	Very high	43 Å²	43	53.9 Å²	53.9	23%	0.23	29%	0.285	C	S	.	.			trans	-56.8	120.9	174.2	-176.9	-42.4	0	0	0	109.3	E300 A303 E307 Y308 V309	E300-N305 HydrophobicContact CB-CB 4.2Å; E300-N305 VanDerWaalsContact O-CB 3.22Å; E300-N305 WeakPolarHBondContact O-CB 3.32Å; E300-N305 PolarHBondContact O-N 3.46Å; E300-N305 PolarHBondContact OE2-ND2 3.2Å; A303-N305 PolarHBondContact O-N 3.17Å; N305-E307 PolarHBondContact O-N 3.07Å; N305-E307 PolarHBondContact OD1-N 3.18Å; N305-E307 VanDerWaalsContact OD1-N 3.09Å; N305-Y308 HydrophobicContact CB-CD2 3.82Å; N305-Y308 PolarHBondContact O-N 2.66Å; N305-V309 WeakPolarHBondContact O-CG2 3.48Å; N305-V309 PolarHBondContact O-N 3.17Å
306	P	95.7	Very high	93.7	Very high	102 Å²	102	50.4 Å²	50.4	66%	0.662	27%	0.267	S	S	*	.	H	α-helix	trans	-54.3	-33.9	-172.6	-29.5	35.7	0	0	0	114.3	Y304 Q310	Y304-P306 WeakPolarHBondContact O-CD 3.42Å; Y304-P306 VanDerWaalsContact O-N 3.13Å; P306-Q310 WeakPolarHBondContact O-CB 3.41Å; P306-Q310 PolarHBondContact O-N 2.92Å
307	E	93.4	Very high	93.6	Very high	92 Å²	92	50.9 Å²	50.9	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-70.4	-42.3	-179.6	-52.8	-158.6	147.4	0	0	112	Y263 K264 N305 Q310 A311	Y263-E307 PolarHBondContact OH-O 3.35Å; K264-E307 IonicContact NZ-OE1 3.13Å; K264-E307 PolarHBondContact NZ-OE1 3.22Å; K264-E307 IonicContact NZ-OE2 2.74Å; K264-E307 PolarHBondContact NZ-OE2 3.19Å; N305-E307 PolarHBondContact O-N 3.07Å; N305-E307 PolarHBondContact OD1-N 3.18Å; N305-E307 VanDerWaalsContact OD1-N 3.09Å; E307-Q310 PolarHBondContact O-N 3.25Å; E307-A311 PolarHBondContact O-N 3.33Å; E307-A311 VanDerWaalsContact O-N 3.07Å
308	Y	95.4	Very high	93.4	Very high	44 Å²	44	51.9 Å²	51.9	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-72.3	-35.9	178.6	-70.3	-99.5	0	0	0	111	I253 A297 E300 N305 Q310 A311 W312	I253-Y308 HydrophobicContact CG2-CD1 3.64Å; I253-Y308 HydrophobicContact CG2-CE1 4.09Å; A297-Y308 HydrophobicContact CB-CD1 3.9Å; A297-Y308 HydrophobicContact CB-CE1 3.52Å; E300-Y308 HydrophobicContact CB-CD1 3.79Å; E300-Y308 HydrophobicContact CB-CD2 3.49Å; E300-Y308 VanDerWaalsContact CB-CD2 3.49Å; E300-Y308 HydrophobicContact CB-CE1 3.89Å; E300-Y308 HydrophobicContact CB-CE2 3.54Å; E300-Y308 HydrophobicContact CB-CG 3.6Å; E300-Y308 HydrophobicContact CG-CD2 4.19Å; E300-Y308 HydrophobicContact CG-CE1 4.28Å; E300-Y308 HydrophobicContact CG-CE2 3.71Å; N305-Y308 HydrophobicContact CB-CD2 3.82Å; N305-Y308 PolarHBondContact O-N 2.66Å; Y308-Q310 VanDerWaalsContact C-N 3.34Å; Y308-A311 PolarHBondContact O-N 3.26Å; Y308-W312 VanDerWaalsContact O-CB 3.28Å; Y308-W312 WeakPolarHBondContact O-CB 3.41Å; Y308-W312 PolarHBondContact O-N 3.06Å
309	V	95	Very high	93.4	Very high	23 Å²	23	51.6 Å²	51.6	14%	0.139	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-39.9	171.8	173.2	0	0	0	0	111	L301 Y304 N305 W312 K313	L301-V309 HydrophobicContact CD1-CG2 4.19Å; Y304-V309 HydrophobicContact CD1-CG2 4.47Å; N305-V309 WeakPolarHBondContact O-CG2 3.48Å; N305-V309 PolarHBondContact O-N 3.17Å; V309-W312 HydrophobicContact CG1-CE3 4.36Å; V309-W312 PolarHBondContact O-N 3.42Å; V309-K313 HydrophobicContact CG1-CD 4.22Å; V309-K313 HydrophobicContact CG1-CG 4.46Å; V309-K313 WeakPolarHBondContact O-CB 3.36Å; V309-K313 WeakPolarHBondContact O-CG 3.36Å; V309-K313 PolarHBondContact O-N 2.9Å
310	Q	94.2	Very high	93.6	Very high	87 Å²	87	51.6 Å²	51.6	41%	0.407	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-46.3	175.6	-174.5	-177.9	7.3	0	0	111.6	P306 E307 Y308 K313 L314	P306-Q310 WeakPolarHBondContact O-CB 3.41Å; P306-Q310 PolarHBondContact O-N 2.92Å; E307-Q310 PolarHBondContact O-N 3.25Å; Y308-Q310 VanDerWaalsContact C-N 3.34Å; Q310-K313 PolarHBondContact O-N 3.39Å; Q310-L314 PolarHBondContact O-N 3.29Å; Q310-L314 VanDerWaalsContact O-N 3.13Å
311	A	94.7	Very high	93.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-44.8	175.2	0	0	0	0	0	112.1	I253 L256 Y263 E307 Y308 L314 I315	I253-A311 HydrophobicContact CB-CB 4.35Å; I253-A311 HydrophobicContact CG1-CB 3.95Å; I253-A311 HydrophobicContact CG2-CB 3.73Å; L256-A311 HydrophobicContact CD2-CB 3.78Å; Y263-A311 HydrophobicContact CE2-CB 3.74Å; E307-A311 PolarHBondContact O-N 3.33Å; E307-A311 VanDerWaalsContact O-N 3.07Å; Y308-A311 PolarHBondContact O-N 3.26Å; A311-L314 WeakPolarHBondContact O-CB 3.32Å; A311-L314 PolarHBondContact O-N 3.3Å; A311-I315 WeakPolarHBondContact O-CD1 3.4Å; A311-I315 WeakPolarHBondContact O-CG1 3.37Å; A311-I315 PolarHBondContact O-N 3.5Å
312	W	95.2	Very high	93.4	Very high	31 Å²	31	59 Å²	59	12%	0.117	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-46.8	176.7	169.7	76.8	0	0	0	112.5	D244 W245 F249 I253 L301 Y308 V309 L314 I315 C316	D244-W312 HydrophobicContact CB-CZ2 4.27Å; D244-W312 PolarHBondContact O-NE1 3.18Å; W245-W312 HydrophobicContact CE3-CZ2 4.38Å; W245-W312 HydrophobicContact CZ3-CZ2 4.48Å; F249-W312 AromaticContact CD1-CD1 3.41Å; F249-W312 VanDerWaalsContact CD1-CD1 3.41Å; F249-W312 AromaticContact CD1-NE1 3.91Å; F249-W312 AromaticContact CE1-CD1 3.7Å; F249-W312 AromaticContact CE1-NE1 3.8Å; F249-W312 AromaticContact CG-CD1 3.82Å; I253-W312 HydrophobicContact CD1-CB 4.11Å; L301-W312 HydrophobicContact CD1-CB 3.63Å; L301-W312 HydrophobicContact CD1-CD2 4.4Å; L301-W312 HydrophobicContact CD1-CG 3.88Å; L301-W312 HydrophobicContact CD2-CB 4.37Å; L301-W312 HydrophobicContact CD2-CG 4.23Å; Y308-W312 VanDerWaalsContact O-CB 3.28Å; Y308-W312 WeakPolarHBondContact O-CB 3.41Å; Y308-W312 PolarHBondContact O-N 3.06Å; V309-W312 HydrophobicContact CG1-CE3 4.36Å; V309-W312 PolarHBondContact O-N 3.42Å; W312-L314 VanDerWaalsContact C-N 3.31Å; W312-L314 PolarHBondContact O-N 2.9Å; W312-I315 WeakPolarHBondContact O-CB 3.42Å; W312-I315 PolarHBondContact O-N 2.97Å; W312-C316 PolarHBondContact NE1-SG 3.41Å; W312-C316 VanDerWaalsContact NE1-SG 3.38Å; W312-C316 PolarHBondContact O-N 3.34Å; W312-C316 PolarHBondContact O-SG 3.19Å
313	K	94.2	Very high	93.7	Very high	112 Å²	112	55.9 Å²	55.9	49%	0.487	28%	0.277	S	S	.	.	H	α-helix	trans	-57.7	-44.4	176.9	-77.9	177	178.8	179.2	0	111.6	V309 Q310 I315 C316 D317	V309-K313 HydrophobicContact CG1-CD 4.22Å; V309-K313 HydrophobicContact CG1-CG 4.46Å; V309-K313 WeakPolarHBondContact O-CB 3.36Å; V309-K313 WeakPolarHBondContact O-CG 3.36Å; V309-K313 PolarHBondContact O-N 2.9Å; Q310-K313 PolarHBondContact O-N 3.39Å; K313-I315 VanDerWaalsContact C-N 3.32Å; K313-I315 PolarHBondContact O-N 2.75Å; K313-C316 PolarHBondContact O-N 2.89Å; K313-C316 VanDerWaalsContact O-N 3.16Å; K313-D317 WeakPolarHBondContact O-CB 3.28Å; K313-D317 PolarHBondContact O-N 2.77Å
314	L	92.7	Very high	94	Very high	40 Å²	40	56.6 Å²	56.6	21%	0.209	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-42.1	178.2	-175.1	64.8	0	0	0	112.6	L256 Y263 P268 Q310 A311 W312 I318	L256-L314 HydrophobicContact CD1-CD2 4.44Å; L256-L314 HydrophobicContact CD2-CD2 4.11Å; Y263-L314 HydrophobicContact CD2-CD2 4.04Å; P268-L314 HydrophobicContact CG-CD1 4.48Å; P268-L314 HydrophobicContact CG-CD2 3.49Å; P268-L314 VanDerWaalsContact CG-CD2 3.49Å; P268-L314 HydrophobicContact CG-CG 4.18Å; Q310-L314 PolarHBondContact O-N 3.29Å; Q310-L314 VanDerWaalsContact O-N 3.13Å; A311-L314 WeakPolarHBondContact O-CB 3.32Å; A311-L314 PolarHBondContact O-N 3.3Å; W312-L314 VanDerWaalsContact C-N 3.31Å; W312-L314 PolarHBondContact O-N 2.9Å; L314-I318 WeakPolarHBondContact O-CD1 3.2Å; L314-I318 WeakPolarHBondContact O-CG1 3.09Å; L314-I318 PolarHBondContact O-N 3.01Å
315	I	93.1	Very high	94.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-46.1	174.9	-69.3	158.8	0	0	0	110.6	I207 F249 L252 I253 L256 L273 A311 W312 K313 D317 I318 S319	I207-I315 HydrophobicContact CG2-CG2 4.12Å; F249-I315 HydrophobicContact CD1-CG2 4.45Å; F249-I315 HydrophobicContact CE1-CG2 4.14Å; L252-I315 HydrophobicContact CB-CD1 3.72Å; L252-I315 HydrophobicContact CD1-CG2 4.16Å; I253-I315 HydrophobicContact CG1-CD1 3.98Å; L256-I315 HydrophobicContact CD2-CD1 4.49Å; L273-I315 HydrophobicContact CD1-CG2 4.27Å; L273-I315 HydrophobicContact CD2-CG2 4.05Å; L273-I315 WeakPolarHBondContact CD2-O 3.5Å; A311-I315 WeakPolarHBondContact O-CD1 3.4Å; A311-I315 WeakPolarHBondContact O-CG1 3.37Å; A311-I315 PolarHBondContact O-N 3.5Å; W312-I315 WeakPolarHBondContact O-CB 3.42Å; W312-I315 PolarHBondContact O-N 2.97Å; K313-I315 VanDerWaalsContact C-N 3.32Å; K313-I315 PolarHBondContact O-N 2.75Å; I315-D317 PolarHBondContact O-N 2.89Å; I315-I318 PolarHBondContact O-N 3.45Å; I315-S319 PolarHBondContact O-N 3.26Å
316	C	94.3	Very high	94.2	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-40.6	179.4	-64.4	0	0	0	0	112	I207 W312 K313 I318 S319 R320	I207-C316 HydrophobicContact CD1-CB 4.42Å; W312-C316 PolarHBondContact NE1-SG 3.41Å; W312-C316 VanDerWaalsContact NE1-SG 3.38Å; W312-C316 PolarHBondContact O-N 3.34Å; W312-C316 PolarHBondContact O-SG 3.19Å; K313-C316 PolarHBondContact O-N 2.89Å; K313-C316 VanDerWaalsContact O-N 3.16Å; C316-I318 VanDerWaalsContact C-N 3.26Å; C316-I318 PolarHBondContact O-N 3.05Å; C316-S319 PolarHBondContact O-N 3.08Å; C316-R320 WeakPolarHBondContact O-CB 3.27Å; C316-R320 PolarHBondContact O-N 3.35Å
317	D	92.8	Very high	94.3	Very high	62 Å²	62	49.1 Å²	49.1	33%	0.332	23%	0.229	S	C	.	.	H	α-helix	trans	-62.5	-32.3	-178.9	-70.1	-11.2	0	0	0	112.4	K313 I315 R320 K321	K313-D317 WeakPolarHBondContact O-CB 3.28Å; K313-D317 PolarHBondContact O-N 2.77Å; I315-D317 PolarHBondContact O-N 2.89Å; D317-R320 IonicContact OD1-CZ 3.37Å; D317-R320 IonicContact OD1-NH1 2.74Å; D317-R320 PolarHBondContact OD1-NH1 3.05Å; D317-R320 IonicContact OD1-NH2 3.1Å; D317-K321 WeakPolarHBondContact O-CG 3.08Å; D317-K321 PolarHBondContact O-N 3.05Å
318	I	91.3	Very high	94.5	Very high	21 Å²	21	49.2 Å²	49.2	11%	0.108	23%	0.233	C	C	.	.	H	α-helix	trans	-67.3	-54.7	175.3	-64.8	157.6	0	0	0	109.9	L270 L273 L314 I315 C316 R320 K321 D322	L270-I318 HydrophobicContact CB-CD1 3.52Å; L270-I318 HydrophobicContact CD1-CD1 3.85Å; L270-I318 HydrophobicContact CG-CD1 4.34Å; L273-I318 HydrophobicContact CB-CG2 4.13Å; L273-I318 HydrophobicContact CD2-CB 4.32Å; L273-I318 HydrophobicContact CD2-CG2 4.28Å; L314-I318 WeakPolarHBondContact O-CD1 3.2Å; L314-I318 WeakPolarHBondContact O-CG1 3.09Å; L314-I318 PolarHBondContact O-N 3.01Å; I315-I318 PolarHBondContact O-N 3.45Å; C316-I318 VanDerWaalsContact C-N 3.26Å; C316-I318 PolarHBondContact O-N 3.05Å; I318-R320 VanDerWaalsContact C-N 3.26Å; I318-R320 PolarHBondContact O-N 2.83Å; I318-K321 PolarHBondContact O-N 3.45Å; I318-K321 VanDerWaalsContact O-N 3.17Å; I318-D322 PolarHBondContact O-N 2.99Å
319	S	92.6	Very high	94.6	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-38.8	176	-77.9	0	0	0	0	112.7	A208 L273 I315 C316 K321 D322 F323	A208-S319 PolarHBondContact N-OG 3.06Å; L273-S319 VanDerWaalsContact CD2-OG 3.25Å; L273-S319 WeakPolarHBondContact CD2-OG 3.22Å; I315-S319 PolarHBondContact O-N 3.26Å; C316-S319 PolarHBondContact O-N 3.08Å; S319-K321 VanDerWaalsContact C-N 3.32Å; S319-K321 PolarHBondContact O-N 3.3Å; S319-D322 PolarHBondContact O-N 3.5Å; S319-F323 WeakPolarHBondContact O-CD1 3.46Å; S319-F323 WeakPolarHBondContact O-CD2 3.16Å; S319-F323 WeakPolarHBondContact O-CG 3.43Å; S319-F323 PolarHBondContact O-N 3.04Å
320	R	94.1	Very high	94.7	Very high	89 Å²	89	47.5 Å²	47.5	34%	0.336	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-41.6	178.9	-172	179.1	-56.8	118.8	6.7	111.8	C316 D317 I318 F323 Q324 E336	C316-R320 WeakPolarHBondContact O-CB 3.27Å; C316-R320 PolarHBondContact O-N 3.35Å; D317-R320 IonicContact OD1-CZ 3.37Å; D317-R320 IonicContact OD1-NH1 2.74Å; D317-R320 PolarHBondContact OD1-NH1 3.05Å; D317-R320 IonicContact OD1-NH2 3.1Å; I318-R320 VanDerWaalsContact C-N 3.26Å; I318-R320 PolarHBondContact O-N 2.83Å; R320-F323 PolarHBondContact O-N 2.83Å; R320-Q324 VanDerWaalsContact O-CB 3.29Å; R320-Q324 WeakPolarHBondContact O-CB 3.33Å; R320-Q324 PolarHBondContact O-N 3.04Å; R320-E336 WeakPolarHBondContact CD-OE2 3.44Å; R320-E336 WeakPolarHBondContact CG-OE2 3.37Å; R320-E336 IonicContact CZ-OE1 2.91Å; R320-E336 VanDerWaalsContact CZ-OE1 3.29Å; R320-E336 IonicContact CZ-OE2 2.64Å; R320-E336 VanDerWaalsContact NE-CD 3.27Å; R320-E336 IonicContact NE-OE1 3.54Å; R320-E336 PolarHBondContact NE-OE1 3.05Å; R320-E336 IonicContact NE-OE2 3.36Å; R320-E336 PolarHBondContact NE-OE2 3.43Å; R320-E336 IonicContact NH2-OE1 3.31Å; R320-E336 PolarHBondContact NH2-OE1 3.45Å; R320-E336 IonicContact NH2-OE2 3.57Å
321	K	93	Very high	94.9	Very high	155 Å²	155	45.6 Å²	45.6	67%	0.674	22%	0.216	S	C	*	.	H	α-helix	trans	-63.1	-43.2	176.2	-72.3	170.4	-176.3	175.9	0	111.6	D317 I318 S319 Q324 N325	D317-K321 WeakPolarHBondContact O-CG 3.08Å; D317-K321 PolarHBondContact O-N 3.05Å; I318-K321 PolarHBondContact O-N 3.45Å; I318-K321 VanDerWaalsContact O-N 3.17Å; S319-K321 VanDerWaalsContact C-N 3.32Å; S319-K321 PolarHBondContact O-N 3.3Å; K321-Q324 PolarHBondContact O-N 3.47Å; K321-N325 PolarHBondContact O-N 3.16Å
322	D	92.4	Very high	95.1	Very high	75 Å²	75	45.7 Å²	45.7	40%	0.401	22%	0.217	S	C	.	.	H	α-helix	trans	-63.7	-43	178.3	-64.4	-21.9	0	0	0	111.6	I318 S319 I326	I318-D322 PolarHBondContact O-N 2.99Å; S319-D322 PolarHBondContact O-N 3.5Å; D322-I326 PolarHBondContact O-N 3.24Å
323	F	95.3	Very high	95.2	Very high	5 Å²	5	51.9 Å²	51.9	2%	0.022	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-43.7	176.1	-57.3	-19.9	0	0	0	111.4	P205 I207 K209 M211 S319 R320 N325 I326 Y327	P205-F323 HydrophobicContact CB-CE1 4.13Å; P205-F323 HydrophobicContact CB-CE2 4.02Å; P205-F323 HydrophobicContact CB-CZ 3.8Å; P205-F323 HydrophobicContact CG-CD1 4.4Å; P205-F323 HydrophobicContact CG-CD2 3.74Å; P205-F323 HydrophobicContact CG-CE1 4.28Å; P205-F323 HydrophobicContact CG-CE2 3.57Å; P205-F323 HydrophobicContact CG-CG 4.15Å; P205-F323 HydrophobicContact CG-CZ 3.88Å; I207-F323 HydrophobicContact CD1-CE2 3.9Å; K209-F323 WeakPolarHBondContact O-CE1 3.35Å; M211-F323 HydrophobicContact CG-CD1 3.68Å; M211-F323 HydrophobicContact CG-CE1 3.86Å; M211-F323 HydrophobicContact SD-CB 4.2Å; M211-F323 HydrophobicContact SD-CD1 3.78Å; M211-F323 HydrophobicContact SD-CG 4.17Å; S319-F323 WeakPolarHBondContact O-CD1 3.46Å; S319-F323 WeakPolarHBondContact O-CD2 3.16Å; S319-F323 WeakPolarHBondContact O-CG 3.43Å; S319-F323 PolarHBondContact O-N 3.04Å; R320-F323 PolarHBondContact O-N 2.83Å; F323-N325 VanDerWaalsContact C-N 3.31Å; F323-N325 PolarHBondContact O-N 3.24Å; F323-I326 WeakPolarHBondContact O-CB 3.4Å; F323-I326 PolarHBondContact O-N 2.91Å; F323-Y327 HydrophobicContact CB-CD2 4.29Å; F323-Y327 HydrophobicContact CB-CE2 3.75Å; F323-Y327 VanDerWaalsContact O-CD2 3.22Å; F323-Y327 WeakPolarHBondContact O-CD2 3.22Å; F323-Y327 PolarHBondContact O-N 2.68Å
324	Q	96.3	Very high	95.3	Very high	86 Å²	86	48.3 Å²	48.3	40%	0.402	23%	0.231	S	C	.	.	H	α-helix	trans	-60.3	-40.2	179.8	-169.8	61	51.1	0	0	111.8	R320 K321 I326 Y327 D328	R320-Q324 VanDerWaalsContact O-CB 3.29Å; R320-Q324 WeakPolarHBondContact O-CB 3.33Å; R320-Q324 PolarHBondContact O-N 3.04Å; K321-Q324 PolarHBondContact O-N 3.47Å; Q324-I326 VanDerWaalsContact C-N 3.27Å; Q324-I326 PolarHBondContact O-N 2.76Å; Q324-Y327 PolarHBondContact O-N 3.44Å; Q324-Y327 VanDerWaalsContact O-N 3.15Å; Q324-D328 PolarHBondContact NE2-OD1 3.43Å; Q324-D328 WeakPolarHBondContact O-CB 3.4Å; Q324-D328 PolarHBondContact O-N 3.33Å
325	N	95.7	Very high	95.6	Very high	87 Å²	87	49.8 Å²	49.8	47%	0.465	24%	0.241	S	C	.	.	H	α-helix	trans	-57.2	-41	174.3	179.2	39.5	0	0	0	112.1	K321 F323 R329	K321-N325 PolarHBondContact O-N 3.16Å; F323-N325 VanDerWaalsContact C-N 3.31Å; F323-N325 PolarHBondContact O-N 3.24Å; N325-R329 WeakPolarHBondContact O-CD 3.4Å; N325-R329 WeakPolarHBondContact O-CG 3.48Å; N325-R329 PolarHBondContact O-N 2.99Å
326	I	97.1	Very high	95.8	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-68.4	-44.3	176.1	-67.2	170.5	0	0	0	110.8	M211 D322 F323 Q324 D328 R329 L330 L466 L470	M211-I326 HydrophobicContact CB-CD1 3.7Å; M211-I326 HydrophobicContact CE-CG2 4.37Å; M211-I326 HydrophobicContact CG-CD1 4.25Å; M211-I326 HydrophobicContact SD-CB 4.39Å; M211-I326 HydrophobicContact SD-CD1 3.91Å; M211-I326 HydrophobicContact SD-CG2 4.28Å; D322-I326 PolarHBondContact O-N 3.24Å; F323-I326 WeakPolarHBondContact O-CB 3.4Å; F323-I326 PolarHBondContact O-N 2.91Å; Q324-I326 VanDerWaalsContact C-N 3.27Å; Q324-I326 PolarHBondContact O-N 2.76Å; I326-D328 PolarHBondContact O-N 2.88Å; I326-R329 PolarHBondContact O-N 3.03Å; I326-L330 HydrophobicContact CG2-CD1 3.95Å; I326-L330 WeakPolarHBondContact O-CB 3.46Å; I326-L330 WeakPolarHBondContact O-CG 3.34Å; I326-L330 PolarHBondContact O-N 3.27Å; I326-L466 HydrophobicContact CD1-CB 4.19Å; I326-L466 HydrophobicContact CD1-CG 4.43Å; I326-L466 HydrophobicContact CG2-CD2 3.58Å; I326-L466 HydrophobicContact CG2-CG 3.97Å; I326-L470 HydrophobicContact CG2-CD1 4.21Å
327	Y	98.3	Very high	95.9	Very high	7 Å²	7	54.3 Å²	54.3	3%	0.027	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-39.9	178.9	-62.4	-40.6	0	0	0	112.6	S203 M211 T219 N240 F323 Q324 L330 D331 V332 L334	S203-Y327 WeakPolarHBondContact CB-OH 3.41Å; S203-Y327 VanDerWaalsContact OG-CE1 3.32Å; S203-Y327 WeakPolarHBondContact OG-CE1 3.41Å; S203-Y327 PolarHBondContact OG-OH 3.21Å; M211-Y327 HydrophobicContact CE-CE1 3.9Å; M211-Y327 HydrophobicContact SD-CE1 4.32Å; T219-Y327 HydrophobicContact CG2-CD1 4.15Å; T219-Y327 HydrophobicContact CG2-CE1 4.03Å; N240-Y327 PolarHBondContact ND2-OH 2.64Å; F323-Y327 HydrophobicContact CB-CD2 4.29Å; F323-Y327 HydrophobicContact CB-CE2 3.75Å; F323-Y327 VanDerWaalsContact O-CD2 3.22Å; F323-Y327 WeakPolarHBondContact O-CD2 3.22Å; F323-Y327 PolarHBondContact O-N 2.68Å; Q324-Y327 PolarHBondContact O-N 3.44Å; Q324-Y327 VanDerWaalsContact O-N 3.15Å; Y327-L330 CarbonylContact O-C 3.56Å; Y327-L330 PolarHBondContact O-N 3.25Å; Y327-D331 PolarHBondContact O-N 2.79Å; Y327-V332 HydrophobicContact CD1-CB 4.29Å; Y327-V332 HydrophobicContact CD1-CG1 4.25Å; Y327-V332 PolarHBondContact O-N 3.16Å; Y327-L334 HydrophobicContact CD1-CD1 3.92Å; Y327-L334 HydrophobicContact CD2-CD1 4.27Å; Y327-L334 HydrophobicContact CE1-CD1 3.51Å; Y327-L334 HydrophobicContact CE2-CD1 3.88Å; Y327-L334 HydrophobicContact CG-CD1 4.3Å; Y327-L334 VanDerWaalsContact CZ-CD1 3.49Å
328	D	97.5	Very high	96	Very high	94 Å²	94	51.5 Å²	51.5	50%	0.503	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-42.5	176.9	-69.4	-20	0	0	0	111.7	Q324 I326 L330 D331	Q324-D328 PolarHBondContact NE2-OD1 3.43Å; Q324-D328 WeakPolarHBondContact O-CB 3.4Å; Q324-D328 PolarHBondContact O-N 3.33Å; I326-D328 PolarHBondContact O-N 2.88Å; D328-L330 VanDerWaalsContact C-N 3.33Å; D328-L330 PolarHBondContact O-N 3.08Å; D328-D331 PolarHBondContact O-N 2.71Å
329	R	97.2	Very high	96.2	Very high	30 Å²	30	52.6 Å²	52.6	11%	0.113	25%	0.251	C	S	.	.	H	α-helix	trans	-63	-41.2	175.1	-69.1	170	69.3	163.1	17.1	111.6	N325 I326 D331 S467 L470 D471 Y504	N325-R329 WeakPolarHBondContact O-CD 3.4Å; N325-R329 WeakPolarHBondContact O-CG 3.48Å; N325-R329 PolarHBondContact O-N 2.99Å; I326-R329 PolarHBondContact O-N 3.03Å; R329-D331 VanDerWaalsContact C-N 3.29Å; R329-S467 PolarHBondContact NH1-O 2.95Å; R329-L470 HydrophobicContact CB-CD1 4.25Å; R329-L470 PolarHBondContact NH2-O 3.45Å; R329-D471 IonicContact CZ-OD1 2.76Å; R329-D471 IonicContact NH1-OD1 3.02Å; R329-D471 PolarHBondContact NH1-OD1 3.08Å; R329-D471 VanDerWaalsContact NH2-N 3.12Å; R329-D471 IonicContact NH2-OD1 3.6Å; R329-D471 PolarHBondContact NH2-OD1 2.85Å; R329-Y504 HydrophobicContact CB-CE1 4.45Å; R329-Y504 HydrophobicContact CB-CE2 4.12Å; R329-Y504 PolarHBondContact NE-OH 2.84Å; R329-Y504 PolarHBondContact NH2-OH 2.81Å; R329-Y504 WeakPolarHBondContact O-CD2 3.31Å; R329-Y504 WeakPolarHBondContact O-CE2 3.17Å
330	L	97.5	Very high	96.2	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.3	177.5	-69.2	177.1	0	0	0	113.4	L216 T219 I326 Y327 D328 V332 L470 K508	L216-L330 HydrophobicContact CD1-CD1 4.21Å; T219-L330 HydrophobicContact CG2-CD1 4.06Å; I326-L330 HydrophobicContact CG2-CD1 3.95Å; I326-L330 WeakPolarHBondContact O-CB 3.46Å; I326-L330 WeakPolarHBondContact O-CG 3.34Å; I326-L330 PolarHBondContact O-N 3.27Å; Y327-L330 CarbonylContact O-C 3.56Å; Y327-L330 PolarHBondContact O-N 3.25Å; D328-L330 VanDerWaalsContact C-N 3.33Å; D328-L330 PolarHBondContact O-N 3.08Å; L330-V332 VanDerWaalsContact C-N 3.3Å; L330-V332 HydrophobicContact CB-CG2 3.81Å; L330-V332 PolarHBondContact O-N 2.93Å; L330-L470 HydrophobicContact CD2-CD1 4.48Å; L330-L470 HydrophobicContact CD2-CD2 3.74Å; L330-L470 HydrophobicContact CG-CD1 4.27Å; L330-L470 HydrophobicContact CG-CD2 4.41Å; L330-K508 WeakPolarHBondContact O-CE 3.34Å; L330-K508 PolarHBondContact O-NZ 3.49Å
331	D	97.6	Very high	96.3	Very high	47 Å²	47	53.2 Å²	53.2	25%	0.251	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	42.6	-175	-162.5	57.6	0	0	0	113.3	R227 Y327 D328 R329 R658	R227-D331 IonicContact CZ-OD2 3.98Å; R227-D331 PolarHBondContact NH2-O 3.48Å; R227-D331 IonicContact NH2-OD2 3.34Å; R227-D331 PolarHBondContact NH2-OD2 2.82Å; Y327-D331 PolarHBondContact O-N 2.79Å; D328-D331 PolarHBondContact O-N 2.71Å; R329-D331 VanDerWaalsContact C-N 3.29Å; D331-R658 IonicContact OD1-CZ 2.84Å; D331-R658 IonicContact OD1-NE 3.65Å; D331-R658 IonicContact OD1-NH2 3.69Å; D331-R658 PolarHBondContact OD1-NH2 2.99Å
332	V	98.4	Very high	96.4	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.018	23%	0.226	C	C	.	.			trans	-109.3	132.4	-178.2	177	0	0	0	0	109.8	F202 T219 D223 Y327 L330 L334	F202-V332 HydrophobicContact CE2-CG1 3.88Å; F202-V332 HydrophobicContact CZ-CG1 4.24Å; T219-V332 HydrophobicContact CG2-CB 4.44Å; T219-V332 HydrophobicContact CG2-CG1 4.19Å; T219-V332 HydrophobicContact CG2-CG2 4Å; D223-V332 HydrophobicContact CB-CG1 4.36Å; D223-V332 HydrophobicContact CB-CG2 3.93Å; Y327-V332 HydrophobicContact CD1-CB 4.29Å; Y327-V332 HydrophobicContact CD1-CG1 4.25Å; Y327-V332 PolarHBondContact O-N 3.16Å; L330-V332 VanDerWaalsContact C-N 3.3Å; L330-V332 HydrophobicContact CB-CG2 3.81Å; L330-V332 PolarHBondContact O-N 2.93Å; V332-L334 HydrophobicContact CG1-CD1 3.88Å; V332-L334 HydrophobicContact CG1-CG 3.97Å
333	K	97.5	Very high	96.4	Very high	161 Å²	161	43.7 Å²	43.7	70%	0.7	21%	0.214	S	C	*	.			trans	-113.8	131.9	175.4	-63.5	179.6	-176.7	176.4	0	109.7	R238	R238-K333 WeakPolarHBondContact CD-O 3.48Å
334	L	97.4	Very high	96.3	Very high	37 Å²	37	48.4 Å²	48.4	19%	0.194	24%	0.239	C	C	.	.			trans	-142.2	148.5	-173.8	-78.8	163.8	0	0	0	110.2	F202 R238 N240 Y327 V332	F202-L334 HydrophobicContact CD1-CD2 3.83Å; F202-L334 HydrophobicContact CD2-CD2 4.16Å; F202-L334 HydrophobicContact CE1-CD2 3.28Å; F202-L334 HydrophobicContact CE1-CG 4.46Å; F202-L334 HydrophobicContact CE2-CD1 4.29Å; F202-L334 HydrophobicContact CE2-CD2 3.65Å; F202-L334 HydrophobicContact CE2-CG 4.18Å; F202-L334 HydrophobicContact CG-CD2 4.25Å; F202-L334 HydrophobicContact CZ-CD2 3.18Å; F202-L334 HydrophobicContact CZ-CG 3.93Å; R238-L334 HydrophobicContact CB-CD2 4.3Å; N240-L334 HydrophobicContact CB-CB 4.03Å; N240-L334 HydrophobicContact CB-CD1 4.14Å; N240-L334 HydrophobicContact CB-CD2 4.02Å; N240-L334 HydrophobicContact CB-CG 4.28Å; Y327-L334 HydrophobicContact CD1-CD1 3.92Å; Y327-L334 HydrophobicContact CD2-CD1 4.27Å; Y327-L334 HydrophobicContact CE1-CD1 3.51Å; Y327-L334 HydrophobicContact CE2-CD1 3.88Å; Y327-L334 HydrophobicContact CG-CD1 4.3Å; Y327-L334 VanDerWaalsContact CZ-CD1 3.49Å; V332-L334 HydrophobicContact CG1-CD1 3.88Å; V332-L334 HydrophobicContact CG1-CG 3.97Å
335	V	98.1	Very high	96.3	Very high	70 Å²	70	46.8 Å²	46.8	42%	0.424	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.2	168.2	-179.1	0	0	0	0	107.5	L237 R238 L239 N240 R337	L237-V335 HydrophobicContact CD1-CB 4.48Å; L237-V335 HydrophobicContact CD1-CG2 4.21Å; R238-V335 PolarHBondContact O-N 3.45Å; L239-V335 HydrophobicContact CD2-CB 4.38Å; L239-V335 HydrophobicContact CD2-CG1 4.48Å; N240-V335 PolarHBondContact N-O 2.74Å; V335-R337 PolarHBondContact O-N 2.63Å
336	E	97.2	Very high	96.3	Very high	63 Å²	63	43 Å²	43	29%	0.294	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	124.2	175.6	-172	-177.2	115	0	0	110.4	V242 R320	V242-E336 HydrophobicContact CG1-CG 4.18Å; V242-E336 HydrophobicContact CG2-CG 3.72Å; R320-E336 WeakPolarHBondContact CD-OE2 3.44Å; R320-E336 WeakPolarHBondContact CG-OE2 3.37Å; R320-E336 IonicContact CZ-OE1 2.91Å; R320-E336 VanDerWaalsContact CZ-OE1 3.29Å; R320-E336 IonicContact CZ-OE2 2.64Å; R320-E336 VanDerWaalsContact NE-CD 3.27Å; R320-E336 IonicContact NE-OE1 3.54Å; R320-E336 PolarHBondContact NE-OE1 3.05Å; R320-E336 IonicContact NE-OE2 3.36Å; R320-E336 PolarHBondContact NE-OE2 3.43Å; R320-E336 IonicContact NH2-OE1 3.31Å; R320-E336 PolarHBondContact NH2-OE1 3.45Å; R320-E336 IonicContact NH2-OE2 3.57Å
337	R	96.7	Very high	96.2	Very high	34 Å²	34	44.8 Å²	44.8	13%	0.128	23%	0.227	C	C	.	.			trans	-149.9	85.1	172.9	-171.9	-174.3	-66.6	-175.5	4.6	109.5	L239 N240 H241 V335 F341 Y342 N398 E403	L239-R337 HydrophobicContact CD2-CB 4.19Å; N240-R337 PolarHBondContact O-N 2.92Å; H241-R337 WeakPolarHBondContact CA-O 3.43Å; H241-R337 PolarHBondContact ND1-O 3.14Å; V335-R337 PolarHBondContact O-N 2.63Å; R337-F341 HydrophobicContact CG-CB 3.72Å; R337-F341 HydrophobicContact CG-CD1 3.72Å; R337-F341 HydrophobicContact CG-CD2 4.03Å; R337-F341 HydrophobicContact CG-CE1 4.35Å; R337-F341 HydrophobicContact CG-CG 3.54Å; R337-Y342 WeakPolarHBondContact CD-OH 3.29Å; R337-Y342 HydrophobicContact CG-CE2 4.1Å; R337-N398 PolarHBondContact NH1-OD1 3.26Å; R337-E403 IonicContact CZ-OE1 3.04Å; R337-E403 IonicContact NH1-OE1 3.97Å; R337-E403 PolarHBondContact NH1-OE1 2.91Å; R337-E403 IonicContact NH2-OE1 3.65Å; R337-E403 PolarHBondContact NH2-OE1 3.44Å
338	G	94.7	Very high	96.1	Very high	3 Å²	3	46.3 Å²	46.3	3%	0.031	24%	0.236	C	C	.	.			trans	-73.2	178.8	-177.2	0	0	0	0	0	114.9	V242 D244 S340 F341 Y342	V242-G338 WeakPolarHBondContact O-CA 3.4Å; D244-G338 WeakPolarHBondContact OD1-CA 3.48Å; G338-S340 PolarHBondContact O-N 2.79Å; G338-F341 WeakPolarHBondContact O-CB 3.37Å; G338-F341 PolarHBondContact O-N 2.85Å; G338-Y342 VanDerWaalsContact O-CD2 3.29Å; G338-Y342 WeakPolarHBondContact O-CD2 3.49Å; G338-Y342 WeakPolarHBondContact O-CE2 3.46Å
339	E	94.6	Very high	96.1	Very high	45 Å²	45	41.9 Å²	41.9	21%	0.21	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-51.7	-35.5	174.3	-67.6	178.5	-169.4	0	0	112.8	V242 D244 W245 F341 Y342	V242-E339 PolarHBondContact O-N 3.31Å; V242-E339 VanDerWaalsContact O-N 3.16Å; D244-E339 PolarHBondContact OD1-N 3.39Å; W245-E339 HydrophobicContact CB-CB 3.77Å; E339-F341 PolarHBondContact O-N 2.94Å; E339-Y342 PolarHBondContact O-N 3.22Å
340	S	94.2	Very high	96.1	Very high	21 Å²	21	41.1 Å²	41.1	15%	0.147	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-58.3	-32.6	-179.3	71.8	0	0	0	0	113.2	D244 W245 G338 Y342 H343	D244-S340 VanDerWaalsContact CG-OG 3.31Å; D244-S340 WeakPolarHBondContact OD1-CB 3.33Å; D244-S340 PolarHBondContact OD1-N 3.18Å; D244-S340 PolarHBondContact OD1-OG 3.2Å; D244-S340 WeakPolarHBondContact OD2-CB 3.31Å; D244-S340 PolarHBondContact OD2-OG 2.94Å; W245-S340 VanDerWaalsContact CE3-CB 3.49Å; G338-S340 PolarHBondContact O-N 2.79Å; S340-Y342 PolarHBondContact O-N 2.8Å; S340-H343 WeakPolarHBondContact O-CB 3.29Å; S340-H343 PolarHBondContact O-N 2.98Å
341	F	95.9	Very high	96.1	Very high	83 Å²	83	47.3 Å²	47.3	36%	0.364	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-63.2	-26.3	178.2	179.2	-90	0	0	0	112.9	R337 G338 E339 K345	R337-F341 HydrophobicContact CG-CB 3.72Å; R337-F341 HydrophobicContact CG-CD1 3.72Å; R337-F341 HydrophobicContact CG-CD2 4.03Å; R337-F341 HydrophobicContact CG-CE1 4.35Å; R337-F341 HydrophobicContact CG-CG 3.54Å; G338-F341 WeakPolarHBondContact O-CB 3.37Å; G338-F341 PolarHBondContact O-N 2.85Å; E339-F341 PolarHBondContact O-N 2.94Å; F341-K345 PolarHBondContact O-NZ 3.44Å; F341-K345 VanDerWaalsContact O-NZ 3.07Å
342	Y	95.6	Very high	96.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-97.9	-0.9	-175.7	-55.4	-79.4	0	0	0	112.7	H241 R337 G338 E339 S340 D344 K345 M346 A395 N398	H241-Y342 AromaticContact CE1-CD2 3.57Å; H241-Y342 AromaticContact CE1-CE2 3.27Å; H241-Y342 WeakPolarHBondContact CE1-CE2 3.47Å; H241-Y342 AromaticContact ND1-CE2 3.44Å; H241-Y342 WeakPolarHBondContact ND1-CE2 3.36Å; R337-Y342 WeakPolarHBondContact CD-OH 3.29Å; R337-Y342 HydrophobicContact CG-CE2 4.1Å; G338-Y342 VanDerWaalsContact O-CD2 3.29Å; G338-Y342 WeakPolarHBondContact O-CD2 3.49Å; G338-Y342 WeakPolarHBondContact O-CE2 3.46Å; E339-Y342 PolarHBondContact O-N 3.22Å; S340-Y342 PolarHBondContact O-N 2.8Å; Y342-D344 PolarHBondContact O-N 3Å; Y342-K345 HydrophobicContact CD1-CD 4.39Å; Y342-K345 WeakPolarHBondContact O-CA 3.33Å; Y342-K345 WeakPolarHBondContact O-CB 3.45Å; Y342-K345 PolarHBondContact O-N 3.24Å; Y342-M346 WeakPolarHBondContact O-CG 3.32Å; Y342-M346 PolarHBondContact O-N 2.92Å; Y342-M346 VanDerWaalsContact O-N 3.12Å; Y342-A395 HydrophobicContact CD1-CB 4.12Å; Y342-A395 HydrophobicContact CD2-CB 4.35Å; Y342-A395 VanDerWaalsContact CE1-CA 3.45Å; Y342-A395 HydrophobicContact CE1-CB 3.8Å; Y342-A395 HydrophobicContact CE2-CB 4.05Å; Y342-A395 HydrophobicContact CG-CB 4.36Å; Y342-N398 HydrophobicContact CD1-CB 4.18Å; Y342-N398 HydrophobicContact CE1-CB 3.71Å; Y342-N398 WeakPolarHBondContact CE1-OD1 3.36Å
343	H	92.4	Very high	96.1	Very high	30 Å²	30	46.4 Å²	46.4	14%	0.139	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-45.5	-172.2	-175.6	55.8	0	0	0	113.5	W245 Y304 S340 K345 M346	W245-H343 AromaticContact CE2-CG 3.86Å; W245-H343 AromaticContact CE2-ND1 3.91Å; W245-H343 HydrophobicContact CZ2-CB 4.42Å; W245-H343 AromaticContact CZ2-CD2 3.64Å; W245-H343 AromaticContact CZ2-CG 3.81Å; W245-H343 AromaticContact CZ2-NE2 3.89Å; W245-H343 AromaticContact NE1-CE1 3.65Å; W245-H343 AromaticContact NE1-CG 3.65Å; W245-H343 AromaticContact NE1-ND1 3.25Å; W245-H343 PolarHBondContact NE1-ND1 3.3Å; Y304-H343 AromaticContact CE2-CD2 3.94Å; Y304-H343 AromaticContact CZ-CD2 3.89Å; Y304-H343 PolarHBondContact OH-CD2 2.84Å; S340-H343 WeakPolarHBondContact O-CB 3.29Å; S340-H343 PolarHBondContact O-N 2.98Å; H343-K345 PolarHBondContact O-N 3.31Å; H343-M346 HydrophobicContact CB-CE 4.19Å; H343-M346 VanDerWaalsContact ND1-CE 3.25Å; H343-M346 WeakPolarHBondContact ND1-CE 3.23Å; H343-M346 PolarHBondContact O-N 2.95Å
344	D	92.8	Very high	96.1	Very high	104 Å²	104	44 Å²	44	56%	0.556	22%	0.22	S	C	*	.	H	α-helix	trans	-67.8	-18.3	176.3	64.8	-23.4	0	0	0	113.6	Y342	Y342-D344 PolarHBondContact O-N 3Å
345	K	95.4	Very high	96.1	Very high	53 Å²	53	48.7 Å²	48.7	23%	0.23	24%	0.241	C	C	.	.	H	α-helix	trans	-94	-18	-179.2	-65.7	161.8	-163.8	67.7	0	112.9	F341 Y342 H343 A347 D348 I349 A394	F341-K345 PolarHBondContact O-NZ 3.44Å; F341-K345 VanDerWaalsContact O-NZ 3.07Å; Y342-K345 HydrophobicContact CD1-CD 4.39Å; Y342-K345 WeakPolarHBondContact O-CA 3.33Å; Y342-K345 WeakPolarHBondContact O-CB 3.45Å; Y342-K345 PolarHBondContact O-N 3.24Å; H343-K345 PolarHBondContact O-N 3.31Å; K345-A347 VanDerWaalsContact C-N 3.34Å; K345-A347 PolarHBondContact O-N 3.5Å; K345-D348 WeakPolarHBondContact O-CB 3.13Å; K345-D348 PolarHBondContact O-N 2.94Å; K345-I349 PolarHBondContact O-N 3.45Å; K345-A394 HydrophobicContact CB-CB 4.2Å
346	M	95.3	Very high	96	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.034	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-35.8	-177.9	-74.5	-165	-80.4	0	0	113.2	Y342 H343 D348 I349 V350 Y386 T390 A394	Y342-M346 WeakPolarHBondContact O-CG 3.32Å; Y342-M346 PolarHBondContact O-N 2.92Å; Y342-M346 VanDerWaalsContact O-N 3.12Å; H343-M346 HydrophobicContact CB-CE 4.19Å; H343-M346 VanDerWaalsContact ND1-CE 3.25Å; H343-M346 WeakPolarHBondContact ND1-CE 3.23Å; H343-M346 PolarHBondContact O-N 2.95Å; M346-D348 VanDerWaalsContact C-N 3.26Å; M346-D348 PolarHBondContact O-N 3.28Å; M346-I349 WeakPolarHBondContact O-CB 3.39Å; M346-I349 PolarHBondContact O-N 3.14Å; M346-V350 PolarHBondContact O-N 3.02Å; M346-Y386 HydrophobicContact CB-CD2 3.46Å; M346-Y386 VanDerWaalsContact CB-CD2 3.46Å; M346-Y386 HydrophobicContact CB-CE2 3.79Å; M346-Y386 HydrophobicContact CB-CG 3.97Å; M346-Y386 HydrophobicContact CE-CD2 3.83Å; M346-Y386 HydrophobicContact CE-CG 4.37Å; M346-Y386 HydrophobicContact CG-CD2 4.31Å; M346-Y386 VanDerWaalsContact SD-CB 3.52Å; M346-Y386 HydrophobicContact SD-CD2 3.96Å; M346-Y386 HydrophobicContact SD-CG 4.04Å; M346-T390 HydrophobicContact CB-CG2 3.69Å; M346-T390 HydrophobicContact CG-CG2 3.86Å; M346-T390 HydrophobicContact SD-CG2 4.06Å; M346-A394 HydrophobicContact CG-CB 4.28Å
347	A	95.5	Very high	96	Very high	48 Å²	48	50.8 Å²	50.8	40%	0.397	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-36	177.6	0	0	0	0	0	112.2	K345 V350 R351 Y386	K345-A347 VanDerWaalsContact C-N 3.34Å; K345-A347 PolarHBondContact O-N 3.5Å; A347-V350 PolarHBondContact O-N 2.72Å; A347-R351 PolarHBondContact O-N 2.8Å; A347-Y386 WeakPolarHBondContact CA-OH 3.1Å; A347-Y386 HydrophobicContact CB-CE2 4.45Å; A347-Y386 WeakPolarHBondContact CB-OH 3.3Å
348	D	96.7	Very high	96.1	Very high	39 Å²	39	51 Å²	51	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-36.4	176.6	179.5	56.9	0	0	0	112.1	K345 M346 R351 L352 K397	K345-D348 WeakPolarHBondContact O-CB 3.13Å; K345-D348 PolarHBondContact O-N 2.94Å; M346-D348 VanDerWaalsContact C-N 3.26Å; M346-D348 PolarHBondContact O-N 3.28Å; D348-R351 PolarHBondContact O-N 3.09Å; D348-R351 IonicContact OD1-CZ 2.99Å; D348-R351 IonicContact OD1-NE 2.58Å; D348-R351 IonicContact OD1-NH2 2.77Å; D348-R351 PolarHBondContact OD1-NH2 3Å; D348-L352 WeakPolarHBondContact O-CB 3.23Å; D348-L352 VanDerWaalsContact O-CG 3.25Å; D348-L352 WeakPolarHBondContact O-CG 3.3Å; D348-L352 PolarHBondContact O-N 3.36Å; D348-K397 IonicContact OD2-NZ 2.74Å; D348-K397 PolarHBondContact OD2-NZ 2.89Å
349	I	97.8	Very high	96.2	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-46.2	173.2	-62.3	-58.2	0	0	0	111.3	K345 M346 R351 L352 L353 T390 L393 A394 K397 F432	K345-I349 PolarHBondContact O-N 3.45Å; M346-I349 WeakPolarHBondContact O-CB 3.39Å; M346-I349 PolarHBondContact O-N 3.14Å; I349-R351 PolarHBondContact O-N 2.88Å; I349-L352 PolarHBondContact O-N 3.4Å; I349-L353 HydrophobicContact CG2-CD1 4.04Å; I349-L353 WeakPolarHBondContact O-CG 3.35Å; I349-L353 PolarHBondContact O-N 3.14Å; I349-T390 HydrophobicContact CB-CG2 4.44Å; I349-T390 HydrophobicContact CG2-CG2 4.43Å; I349-L393 HydrophobicContact CG1-CB 4.48Å; I349-L393 HydrophobicContact CG2-CB 3.76Å; I349-L393 HydrophobicContact CG2-CD1 3.98Å; I349-A394 HydrophobicContact CG1-CB 3.83Å; I349-K397 HydrophobicContact CD1-CB 4.15Å; I349-K397 HydrophobicContact CD1-CD 3.9Å; I349-F432 HydrophobicContact CD1-CE2 4.15Å; I349-F432 HydrophobicContact CD1-CZ 3.76Å
350	V	97.6	Very high	96.3	Very high	13 Å²	13	55.4 Å²	55.4	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-44.6	179.1	177.3	0	0	0	0	110.8	M346 A347 L352 L353 E354 L359 K366 V380 Y386 T390	M346-V350 PolarHBondContact O-N 3.02Å; A347-V350 PolarHBondContact O-N 2.72Å; V350-L352 PolarHBondContact O-N 2.85Å; V350-L353 PolarHBondContact O-N 3.46Å; V350-E354 PolarHBondContact O-N 2.95Å; V350-L359 HydrophobicContact CG1-CD1 4.04Å; V350-K366 HydrophobicContact CG1-CD 4.43Å; V350-V380 HydrophobicContact CG1-CG2 4.04Å; V350-V380 HydrophobicContact CG2-CG2 3.85Å; V350-Y386 HydrophobicContact CG2-CD1 4.09Å; V350-Y386 HydrophobicContact CG2-CE1 3.74Å; V350-T390 HydrophobicContact CG2-CG2 4.08Å
351	R	97.5	Very high	96.4	Very high	132 Å²	132	62.1 Å²	62.1	50%	0.498	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-46.5	175.4	178.3	177.1	58.8	-154.4	-1.5	112	A347 D348 I349 L353 E354 E355	A347-R351 PolarHBondContact O-N 2.8Å; D348-R351 PolarHBondContact O-N 3.09Å; D348-R351 IonicContact OD1-CZ 2.99Å; D348-R351 IonicContact OD1-NE 2.58Å; D348-R351 IonicContact OD1-NH2 2.77Å; D348-R351 PolarHBondContact OD1-NH2 3Å; I349-R351 PolarHBondContact O-N 2.88Å; R351-L353 VanDerWaalsContact C-N 3.32Å; R351-L353 PolarHBondContact O-N 2.88Å; R351-E354 WeakPolarHBondContact O-CB 3.29Å; R351-E354 PolarHBondContact O-N 3.44Å; R351-E354 VanDerWaalsContact O-N 3.17Å; R351-E355 WeakPolarHBondContact CD-OE1 3.41Å; R351-E355 HydrophobicContact CG-CG 4.29Å; R351-E355 VanDerWaalsContact CG-OE1 3.26Å; R351-E355 WeakPolarHBondContact CG-OE1 3.31Å; R351-E355 WeakPolarHBondContact O-CG 3.35Å; R351-E355 PolarHBondContact O-N 2.92Å
352	L	97.2	Very high	96.4	Very high	31 Å²	31	61 Å²	61	16%	0.162	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-38.6	179.2	-76.1	168.9	0	0	0	112.9	D348 I349 V350 K356 K397 F432	D348-L352 WeakPolarHBondContact O-CB 3.23Å; D348-L352 VanDerWaalsContact O-CG 3.25Å; D348-L352 WeakPolarHBondContact O-CG 3.3Å; D348-L352 PolarHBondContact O-N 3.36Å; I349-L352 PolarHBondContact O-N 3.4Å; V350-L352 PolarHBondContact O-N 2.85Å; L352-K356 WeakPolarHBondContact O-CB 3.43Å; L352-K356 WeakPolarHBondContact O-CG 3.38Å; L352-K356 PolarHBondContact O-N 2.77Å; L352-K397 HydrophobicContact CD1-CD 4.46Å; L352-F432 HydrophobicContact CD1-CE1 4.25Å; L352-F432 HydrophobicContact CD1-CZ 4.39Å
353	L	98.1	Very high	96.3	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-66.7	-39.8	175.3	-73	167	0	0	0	111.5	I349 V350 R351 K356 G357 L358 L359 T368 V379 L393 V426 I430	I349-L353 HydrophobicContact CG2-CD1 4.04Å; I349-L353 WeakPolarHBondContact O-CG 3.35Å; I349-L353 PolarHBondContact O-N 3.14Å; V350-L353 PolarHBondContact O-N 3.46Å; R351-L353 VanDerWaalsContact C-N 3.32Å; R351-L353 PolarHBondContact O-N 2.88Å; L353-K356 PolarHBondContact O-N 3.32Å; L353-G357 PolarHBondContact O-N 2.83Å; L353-L358 HydrophobicContact CD2-CB 3.85Å; L353-L358 HydrophobicContact CD2-CD1 3.98Å; L353-L358 PolarHBondContact O-N 3.06Å; L353-L359 HydrophobicContact CB-CD1 4.09Å; L353-L359 HydrophobicContact CB-CD2 3.52Å; L353-L359 HydrophobicContact CB-CG 3.6Å; L353-L359 HydrophobicContact CD1-CD2 3.83Å; L353-L359 HydrophobicContact CG-CD2 4.24Å; L353-T368 HydrophobicContact CD1-CG2 4.41Å; L353-V379 HydrophobicContact CD1-CB 4.45Å; L353-V379 HydrophobicContact CD1-CG1 3.84Å; L353-V379 HydrophobicContact CD1-CG2 4.28Å; L353-L393 HydrophobicContact CD1-CD1 4.35Å; L353-V426 HydrophobicContact CD2-CG1 3.96Å; L353-I430 HydrophobicContact CD2-CD1 3.73Å; L353-I430 HydrophobicContact CD2-CG1 3.8Å; L353-I430 HydrophobicContact CG-CD1 4.2Å
354	E	97.3	Very high	96.4	Very high	109 Å²	109	70.1 Å²	70.1	51%	0.509	37%	0.37	S	S	.	.	H	α-helix	trans	-65.2	-48.4	177	-167.9	163.3	-113.6	0	0	111.6	V350 R351 K356 G357 L359 K366	V350-E354 PolarHBondContact O-N 2.95Å; R351-E354 WeakPolarHBondContact O-CB 3.29Å; R351-E354 PolarHBondContact O-N 3.44Å; R351-E354 VanDerWaalsContact O-N 3.17Å; E354-K356 PolarHBondContact O-N 3.18Å; E354-G357 PolarHBondContact O-N 3.25Å; E354-L359 HydrophobicContact CB-CD1 3.87Å; E354-K366 IonicContact OE1-NZ 2.93Å; E354-K366 PolarHBondContact OE1-NZ 3.48Å
355	E	97.3	Very high	96.5	Very high	137 Å²	137	69 Å²	69	64%	0.64	36%	0.358	S	S	*	.	H	α-helix	trans	-59.1	-32.1	177.8	-73.5	172.8	-177.5	0	0	113	R351	R351-E355 WeakPolarHBondContact CD-OE1 3.41Å; R351-E355 HydrophobicContact CG-CG 4.29Å; R351-E355 VanDerWaalsContact CG-OE1 3.26Å; R351-E355 WeakPolarHBondContact CG-OE1 3.31Å; R351-E355 WeakPolarHBondContact O-CG 3.35Å; R351-E355 PolarHBondContact O-N 2.92Å
356	K	96.9	Very high	96.7	Very high	111 Å²	111	69 Å²	69	48%	0.483	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	0.2	176.9	-72.9	179.3	177.2	-91.5	0	114.1	L352 L353 E354 L358 I430	L352-K356 WeakPolarHBondContact O-CB 3.43Å; L352-K356 WeakPolarHBondContact O-CG 3.38Å; L352-K356 PolarHBondContact O-N 2.77Å; L353-K356 PolarHBondContact O-N 3.32Å; E354-K356 PolarHBondContact O-N 3.18Å; K356-L358 VanDerWaalsContact C-N 3.27Å; K356-L358 HydrophobicContact CB-CD1 3.91Å; K356-L358 HydrophobicContact CB-CG 3.9Å; K356-L358 HydrophobicContact CD-CD1 4.37Å; K356-L358 PolarHBondContact O-N 2.85Å; K356-I430 HydrophobicContact CD-CB 4.45Å; K356-I430 HydrophobicContact CD-CG2 4.1Å; K356-I430 WeakPolarHBondContact CE-O 3.46Å; K356-I430 PolarHBondContact NZ-O 3.31Å
357	G	97.1	Very high	96.8	Very high	66 Å²	66	69 Å²	69	68%	0.68	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	29.4	-177.4	0	0	0	0	0	113.5	L353 E354	L353-G357 PolarHBondContact O-N 2.83Å; E354-G357 PolarHBondContact O-N 3.25Å
358	L	97.5	Very high	96.9	Very high	38 Å²	38	66.7 Å²	66.7	20%	0.199	34%	0.339	C	S	.	.			trans	-96.9	-2.4	-177.9	-63.7	175.3	0	0	0	113.6	L353 K356 T368 Q429 I430	L353-L358 HydrophobicContact CD2-CB 3.85Å; L353-L358 HydrophobicContact CD2-CD1 3.98Å; L353-L358 PolarHBondContact O-N 3.06Å; K356-L358 VanDerWaalsContact C-N 3.27Å; K356-L358 HydrophobicContact CB-CD1 3.91Å; K356-L358 HydrophobicContact CB-CG 3.9Å; K356-L358 HydrophobicContact CD-CD1 4.37Å; K356-L358 PolarHBondContact O-N 2.85Å; L358-T368 WeakPolarHBondContact O-CA 3.28Å; L358-T368 VanDerWaalsContact O-CB 3.28Å; L358-T368 WeakPolarHBondContact O-CB 3.49Å; L358-T368 PolarHBondContact O-OG1 2.74Å; L358-Q429 HydrophobicContact CD1-CB 4.13Å; L358-I430 HydrophobicContact CD1-CG1 4.07Å
359	L	97.5	Very high	97	Very high	31 Å²	31	68.3 Å²	68.3	16%	0.162	34%	0.344	C	S	.	.			trans	-95.2	142.8	176.2	-63.4	-176	0	0	0	111.9	V350 L353 E354 K366 I367 V379	V350-L359 HydrophobicContact CG1-CD1 4.04Å; L353-L359 HydrophobicContact CB-CD1 4.09Å; L353-L359 HydrophobicContact CB-CD2 3.52Å; L353-L359 HydrophobicContact CB-CG 3.6Å; L353-L359 HydrophobicContact CD1-CD2 3.83Å; L353-L359 HydrophobicContact CG-CD2 4.24Å; E354-L359 HydrophobicContact CB-CD1 3.87Å; L359-K366 HydrophobicContact CD1-CB 4.47Å; L359-K366 HydrophobicContact CD1-CD 3.91Å; L359-I367 CarbonylContact C-O 3.48Å; L359-I367 WeakPolarHBondContact CA-O 3.18Å; L359-V379 HydrophobicContact CD2-CG2 3.56Å
360	Q	96.8	Very high	96.9	Very high	110 Å²	110	68.4 Å²	68.4	51%	0.514	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.7	167.6	-61.2	-179.2	19.6	0	0	109.1	K366 I367	Q360-K366 WeakPolarHBondContact O-CA 3.27Å; Q360-I367 HydrophobicContact CB-CG1 4.05Å; Q360-I367 PolarHBondContact N-O 3.43Å; Q360-I367 WeakPolarHBondContact O-CG1 3.24Å; Q360-I367 PolarHBondContact O-N 2.65Å
361	E	96.4	Very high	96.7	Very high	162 Å²	162	70.6 Å²	70.6	76%	0.757	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.8	170.1	-69.6	-168.1	169.6	0	0	110.2	R365	E361-R365 WeakPolarHBondContact CA-O 3.42Å
362	D	96	Very high	96.4	Very high	59 Å²	59	68.4 Å²	68.4	32%	0.316	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	106	178.4	-179	52.7	0	0	0	109.9	G364 R365 I367	D362-G364 PolarHBondContact O-N 3.03Å; D362-R365 PolarHBondContact N-O 3.36Å; D362-R365 VanDerWaalsContact O-CB 3.22Å; D362-R365 WeakPolarHBondContact O-CB 3.38Å; D362-R365 PolarHBondContact O-N 3.38Å; D362-R365 PolarHBondContact O-NE 2.68Å; D362-R365 IonicContact OD2-CZ 3.58Å; D362-R365 IonicContact OD2-NE 2.68Å; D362-R365 IonicContact OD2-NH2 2.77Å; D362-R365 PolarHBondContact OD2-NH2 2.72Å; D362-I367 HydrophobicContact CB-CD1 3.62Å; D362-I367 HydrophobicContact CB-CG1 4.05Å; D362-I367 HydrophobicContact CB-CG2 4.32Å
363	E	94	Very high	96.2	Very high	168 Å²	168	69.6 Å²	69.6	79%	0.785	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	40.9	-176.9	-57.3	-174.9	158.6	0	0	113.3	R365	E363-R365 PolarHBondContact O-N 2.63Å
364	G	93.2	Very high	95.9	Very high	54 Å²	54	74.7 Å²	74.7	56%	0.557	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-4	-177.9	0	0	0	0	0	114.8	D362 S382	D362-G364 PolarHBondContact O-N 3.03Å; G364-S382 WeakPolarHBondContact O-CA 3.4Å
365	R	96.5	Very high	95.7	Very high	81 Å²	81	72.8 Å²	72.8	31%	0.306	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	151.7	170.7	-55.6	177.4	-70.1	-178.9	-9	110	E361 D362 E363 I367 T378 V380	E361-R365 WeakPolarHBondContact CA-O 3.42Å; D362-R365 PolarHBondContact N-O 3.36Å; D362-R365 VanDerWaalsContact O-CB 3.22Å; D362-R365 WeakPolarHBondContact O-CB 3.38Å; D362-R365 PolarHBondContact O-N 3.38Å; D362-R365 PolarHBondContact O-NE 2.68Å; D362-R365 IonicContact OD2-CZ 3.58Å; D362-R365 IonicContact OD2-NE 2.68Å; D362-R365 IonicContact OD2-NH2 2.77Å; D362-R365 PolarHBondContact OD2-NH2 2.72Å; E363-R365 PolarHBondContact O-N 2.63Å; R365-I367 HydrophobicContact CB-CG2 4.18Å; R365-T378 HydrophobicContact CB-CG2 4.22Å; R365-T378 HydrophobicContact CG-CG2 4.46Å; R365-V380 CarbonylContact C-O 3.46Å; R365-V380 VanDerWaalsContact CA-O 3.25Å; R365-V380 WeakPolarHBondContact CA-O 3.36Å; R365-V380 WeakPolarHBondContact CB-O 3.29Å
366	K	97.7	Very high	95.7	Very high	52 Å²	52	68.2 Å²	68.2	23%	0.226	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120.9	163.6	-60.4	-166.9	175.4	-170.1	0	108.9	V350 E354 L359 Q360 V379 V380	V350-K366 HydrophobicContact CG1-CD 4.43Å; E354-K366 IonicContact OE1-NZ 2.93Å; E354-K366 PolarHBondContact OE1-NZ 3.48Å; L359-K366 HydrophobicContact CD1-CB 4.47Å; L359-K366 HydrophobicContact CD1-CD 3.91Å; Q360-K366 WeakPolarHBondContact O-CA 3.27Å; K366-V379 HydrophobicContact CB-CG2 4.08Å; K366-V379 VanDerWaalsContact O-CG2 3.25Å; K366-V379 WeakPolarHBondContact O-CG2 3.49Å; K366-V379 PolarHBondContact O-N 3.04Å; K366-V380 HydrophobicContact CB-CB 3.89Å; K366-V380 HydrophobicContact CB-CG2 4.05Å; K366-V380 HydrophobicContact CD-CG2 4.3Å; K366-V380 HydrophobicContact CG-CB 4.19Å; K366-V380 HydrophobicContact CG-CG2 4.35Å; K366-V380 PolarHBondContact N-O 3.29Å; K366-V380 PolarHBondContact O-N 3.29Å; K366-V380 VanDerWaalsContact O-N 3.13Å
367	I	98	Very high	95.8	Very high	6 Å²	6	63 Å²	63	3%	0.031	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	157.1	-178	66.6	168.8	0	0	0	110.9	L359 Q360 D362 R365 F369 P376 L377 T378	L359-I367 CarbonylContact C-O 3.48Å; L359-I367 WeakPolarHBondContact CA-O 3.18Å; Q360-I367 HydrophobicContact CB-CG1 4.05Å; Q360-I367 PolarHBondContact N-O 3.43Å; Q360-I367 WeakPolarHBondContact O-CG1 3.24Å; Q360-I367 PolarHBondContact O-N 2.65Å; D362-I367 HydrophobicContact CB-CD1 3.62Å; D362-I367 HydrophobicContact CB-CG1 4.05Å; D362-I367 HydrophobicContact CB-CG2 4.32Å; R365-I367 HydrophobicContact CB-CG2 4.18Å; I367-F369 HydrophobicContact CD1-CE2 3.64Å; I367-F369 HydrophobicContact CD1-CZ 4.06Å; I367-F369 HydrophobicContact CG1-CE2 4.36Å; I367-P376 HydrophobicContact CB-CB 4.13Å; I367-P376 HydrophobicContact CD1-CB 3.98Å; I367-P376 HydrophobicContact CD1-CG 4.1Å; I367-P376 HydrophobicContact CG1-CB 4.47Å; I367-L377 CarbonylContact C-O 3.45Å; I367-L377 WeakPolarHBondContact CA-O 3.17Å; I367-L377 WeakPolarHBondContact CB-O 3.26Å; I367-T378 HydrophobicContact CG2-CG2 4.44Å
368	T	98.1	Very high	95.8	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.1	173.7	-171.5	0	0	0	0	110.3	L353 L358 P370 P376 L377 V379 V426	L353-T368 HydrophobicContact CD1-CG2 4.41Å; L358-T368 WeakPolarHBondContact O-CA 3.28Å; L358-T368 VanDerWaalsContact O-CB 3.28Å; L358-T368 WeakPolarHBondContact O-CB 3.49Å; L358-T368 PolarHBondContact O-OG1 2.74Å; T368-P370 WeakPolarHBondContact O-CD 3.41Å; T368-P376 WeakPolarHBondContact O-CA 3.38Å; T368-L377 HydrophobicContact CG2-CB 3.95Å; T368-L377 PolarHBondContact N-O 3.14Å; T368-L377 PolarHBondContact O-N 3.26Å; T368-V379 HydrophobicContact CG2-CG1 4.1Å; T368-V426 HydrophobicContact CG2-CG1 4.26Å; T368-V426 HydrophobicContact CG2-CG2 4.08Å
369	F	97.6	Very high	95.8	Very high	72 Å²	72	59.3 Å²	59.3	32%	0.316	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-97.6	116.9	-179.8	-78.3	-90.1	0	0	0	110.4	I367 S374 P376 Q429	I367-F369 HydrophobicContact CD1-CE2 3.64Å; I367-F369 HydrophobicContact CD1-CZ 4.06Å; I367-F369 HydrophobicContact CG1-CE2 4.36Å; F369-S374 WeakPolarHBondContact CE1-O 3.41Å; F369-P376 HydrophobicContact CD1-CB 4.04Å; F369-P376 HydrophobicContact CD2-CB 4.3Å; F369-P376 HydrophobicContact CE1-CB 3.83Å; F369-P376 HydrophobicContact CE1-CG 4.06Å; F369-P376 HydrophobicContact CE2-CB 4.11Å; F369-P376 HydrophobicContact CG-CB 4.28Å; F369-P376 HydrophobicContact CZ-CB 3.86Å; F369-P376 HydrophobicContact CZ-CG 4.04Å; F369-Q429 PolarHBondContact O-NE2 3.5Å; F369-Q429 PolarHBondContact O-OE1 3.15Å
370	P	97	Very high	95.7	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.019	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-64.6	139.1	174.6	-16.9	30.4	0	0	0	111.3	T368 G372 L373 V375 L377 Q422 A425 V426 Q429	T368-P370 WeakPolarHBondContact O-CD 3.41Å; P370-G372 PolarHBondContact O-N 3.03Å; P370-L373 HydrophobicContact CB-CB 4.22Å; P370-L373 HydrophobicContact CB-CD1 4.07Å; P370-L373 HydrophobicContact CB-CG 4.46Å; P370-L373 PolarHBondContact O-N 3.29Å; P370-V375 WeakPolarHBondContact CD-O 3.27Å; P370-L377 HydrophobicContact CG-CG 4.3Å; P370-Q422 HydrophobicContact CB-CB 4.19Å; P370-Q422 HydrophobicContact CB-CG 4.45Å; P370-Q422 HydrophobicContact CG-CB 3.53Å; P370-Q422 HydrophobicContact CG-CG 3.76Å; P370-A425 HydrophobicContact CB-CB 3.79Å; P370-V426 HydrophobicContact CB-CG2 3.87Å; P370-V426 HydrophobicContact CG-CG2 3.82Å; P370-Q429 VanDerWaalsContact CA-OE1 3.31Å
371	A	92.6	Very high	95.5	Very high	60 Å²	60	58.1 Å²	58.1	50%	0.496	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	125	-179.2	0	0	0	0	0	111.6	L373 Q429	A371-L373 VanDerWaalsContact C-N 3.3Å; A371-L373 PolarHBondContact O-N 2.93Å; A371-Q429 HydrophobicContact CB-CG 3.83Å; A371-Q429 VanDerWaalsContact N-CD 3.26Å
372	G	92.2	Very high	95.1	Very high	86 Å²	86	54.7 Å²	54.7	89%	0.887	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	4	178.8	0	0	0	0	0	115.4	P370	P370-G372 PolarHBondContact O-N 3.03Å
373	L	92.8	Very high	94.5	Very high	55 Å²	55	55.6 Å²	55.6	29%	0.288	36%	0.357	S	S	.	.			trans	-119.1	148.9	178	-60	179.2	0	0	0	111.4	P370 A371 L418 Q421 Q422	P370-L373 HydrophobicContact CB-CB 4.22Å; P370-L373 HydrophobicContact CB-CD1 4.07Å; P370-L373 HydrophobicContact CB-CG 4.46Å; P370-L373 PolarHBondContact O-N 3.29Å; A371-L373 VanDerWaalsContact C-N 3.3Å; A371-L373 PolarHBondContact O-N 2.93Å; L373-L418 HydrophobicContact CD1-CD1 4.36Å; L373-Q421 HydrophobicContact CD1-CB 4.24Å; L373-Q422 HydrophobicContact CD1-CB 4.35Å; L373-Q422 HydrophobicContact CD1-CG 3.6Å
374	S	91	Very high	94.1	Very high	107 Å²	107	49.9 Å²	49.9	75%	0.748	34%	0.343	S	S	*	.	S	Bend	trans	-95.6	-13.7	-177.4	61.8	0	0	0	0	114.2	F369	F369-S374 WeakPolarHBondContact CE1-O 3.41Å
375	V	94.5	Very high	93.9	Very high	69 Å²	69	48.7 Å²	48.7	42%	0.418	33%	0.331	S	S	.	.	S	Bend	trans	-95.8	124.4	-179.4	-176.2	0	0	0	0	108.2	P370 L418 Q422	P370-V375 WeakPolarHBondContact CD-O 3.27Å; V375-L418 HydrophobicContact CG2-CD2 4.47Å; V375-Q422 PolarHBondContact O-NE2 3.37Å
376	P	96.7	Very high	93.6	Very high	41 Å²	41	48.5 Å²	48.5	27%	0.266	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-80.4	158.5	179.7	32.6	-34.3	0	0	0	112.1	I367 T368 F369	I367-P376 HydrophobicContact CB-CB 4.13Å; I367-P376 HydrophobicContact CD1-CB 3.98Å; I367-P376 HydrophobicContact CD1-CG 4.1Å; I367-P376 HydrophobicContact CG1-CB 4.47Å; T368-P376 WeakPolarHBondContact O-CA 3.38Å; F369-P376 HydrophobicContact CD1-CB 4.04Å; F369-P376 HydrophobicContact CD2-CB 4.3Å; F369-P376 HydrophobicContact CE1-CB 3.83Å; F369-P376 HydrophobicContact CE1-CG 4.06Å; F369-P376 HydrophobicContact CE2-CB 4.11Å; F369-P376 HydrophobicContact CG-CB 4.28Å; F369-P376 HydrophobicContact CZ-CB 3.86Å; F369-P376 HydrophobicContact CZ-CG 4.04Å
377	L	97.7	Very high	93.3	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	140.8	160	-64.1	178.7	0	0	0	109	I367 T368 P370 D389 Q422 I423 V426	I367-L377 CarbonylContact C-O 3.45Å; I367-L377 WeakPolarHBondContact CA-O 3.17Å; I367-L377 WeakPolarHBondContact CB-O 3.26Å; T368-L377 HydrophobicContact CG2-CB 3.95Å; T368-L377 PolarHBondContact N-O 3.14Å; T368-L377 PolarHBondContact O-N 3.26Å; P370-L377 HydrophobicContact CG-CG 4.3Å; L377-D389 HydrophobicContact CB-CB 4.05Å; L377-D389 HydrophobicContact CD2-CB 4.27Å; L377-Q422 HydrophobicContact CD1-CB 4.16Å; L377-Q422 HydrophobicContact CD2-CB 3.71Å; L377-Q422 HydrophobicContact CD2-CG 4.42Å; L377-Q422 HydrophobicContact CG-CB 3.96Å; L377-I423 HydrophobicContact CD1-CD1 3.78Å; L377-I423 HydrophobicContact CD1-CG1 4.41Å; L377-V426 HydrophobicContact CD1-CB 4.45Å; L377-V426 HydrophobicContact CD1-CG2 3.99Å
378	T	97.6	Very high	93	Very high	26 Å²	26	52.9 Å²	52.9	16%	0.16	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	105	174.2	-60.6	0	0	0	0	109	R365 I367 T387 D389	R365-T378 HydrophobicContact CB-CG2 4.22Å; R365-T378 HydrophobicContact CG-CG2 4.46Å; I367-T378 HydrophobicContact CG2-CG2 4.44Å; T378-T387 HydrophobicContact CG2-CG2 4.07Å; T378-T387 VanDerWaalsContact O-CB 3.31Å; T378-T387 WeakPolarHBondContact O-CB 3.26Å; T378-T387 WeakPolarHBondContact O-CG2 3.35Å; T378-T387 PolarHBondContact O-OG1 3.4Å; T378-D389 PolarHBondContact N-OD2 2.94Å; T378-D389 VanDerWaalsContact O-OD2 3.11Å
379	V	97	Very high	92.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-22.7	-177.7	-64.3	0	0	0	0	113.9	L353 L359 K366 T368 T390 L393	L353-V379 HydrophobicContact CD1-CB 4.45Å; L353-V379 HydrophobicContact CD1-CG1 3.84Å; L353-V379 HydrophobicContact CD1-CG2 4.28Å; L359-V379 HydrophobicContact CD2-CG2 3.56Å; K366-V379 HydrophobicContact CB-CG2 4.08Å; K366-V379 VanDerWaalsContact O-CG2 3.25Å; K366-V379 WeakPolarHBondContact O-CG2 3.49Å; K366-V379 PolarHBondContact O-N 3.04Å; T368-V379 HydrophobicContact CG2-CG1 4.1Å; V379-T390 VanDerWaalsContact C-OG1 3.28Å; V379-T390 WeakPolarHBondContact CA-OG1 3.36Å; V379-T390 PolarHBondContact O-OG1 3.38Å; V379-L393 HydrophobicContact CG1-CD1 4.18Å
380	V	95.8	Very high	92.8	Very high	15 Å²	15	49.7 Å²	49.7	9%	0.091	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	127.7	172.6	-174.5	0	0	0	0	109.1	V350 R365 K366 G384 Y386	V350-V380 HydrophobicContact CG1-CG2 4.04Å; V350-V380 HydrophobicContact CG2-CG2 3.85Å; R365-V380 CarbonylContact C-O 3.46Å; R365-V380 VanDerWaalsContact CA-O 3.25Å; R365-V380 WeakPolarHBondContact CA-O 3.36Å; R365-V380 WeakPolarHBondContact CB-O 3.29Å; K366-V380 HydrophobicContact CB-CB 3.89Å; K366-V380 HydrophobicContact CB-CG2 4.05Å; K366-V380 HydrophobicContact CD-CG2 4.3Å; K366-V380 HydrophobicContact CG-CB 4.19Å; K366-V380 HydrophobicContact CG-CG2 4.35Å; K366-V380 PolarHBondContact N-O 3.29Å; K366-V380 PolarHBondContact O-N 3.29Å; K366-V380 VanDerWaalsContact O-N 3.13Å; V380-G384 WeakPolarHBondContact CG1-O 3.22Å; V380-Y386 HydrophobicContact CG2-CD1 4.05Å; V380-Y386 HydrophobicContact CG2-CE1 4.09Å
381	K	92.2	Very high	92.7	Very high	102 Å²	102	49.7 Å²	49.7	44%	0.443	33%	0.334	S	S	.	.			trans	-69	163.2	173	-60.1	-179.7	-173.9	176.7	0	110.2	G383 G384 G385 T387	K381-G383 PolarHBondContact O-N 2.85Å; K381-G383 VanDerWaalsContact O-N 3.09Å; K381-G384 PolarHBondContact O-N 2.96Å; K381-G385 WeakPolarHBondContact CB-O 3.25Å; K381-G385 WeakPolarHBondContact CG-O 3.44Å; K381-G385 PolarHBondContact N-O 3.29Å; K381-T387 HydrophobicContact CD-CG2 4.39Å; K381-T387 HydrophobicContact CG-CG2 3.66Å
382	S	89.1	Confident	93	Very high	89 Å²	89	47.9 Å²	47.9	62%	0.622	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.2	176.9	52.3	0	0	0	0	114.2	G364 G384	G364-S382 WeakPolarHBondContact O-CA 3.4Å; S382-G384 VanDerWaalsContact C-N 3.34Å
383	G	82.9	Confident	93.3	Very high	79 Å²	79	43.8 Å²	43.8	81%	0.814	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	8.6	173.6	0	0	0	0	0	115.5	K381 G385	K381-G383 PolarHBondContact O-N 2.85Å; K381-G383 VanDerWaalsContact O-N 3.09Å; G383-G385 VanDerWaalsContact C-N 3.34Å; G383-G385 PolarHBondContact O-N 2.83Å
384	G	86.3	Confident	93.5	Very high	48 Å²	48	41.3 Å²	41.3	50%	0.495	26%	0.261	S	S	.	.	S	Bend	trans	86.2	-10.8	178.5	0	0	0	0	0	116	V380 K381 S382	V380-G384 WeakPolarHBondContact CG1-O 3.22Å; K381-G384 PolarHBondContact O-N 2.96Å; S382-G384 VanDerWaalsContact C-N 3.34Å
385	G	87.6	Confident	93.9	Very high	29 Å²	29	36.2 Å²	36.2	30%	0.299	23%	0.226	S	C	.	.			trans	-75.6	146.9	178.1	0	0	0	0	0	113.7	K381 G383	K381-G385 WeakPolarHBondContact CB-O 3.25Å; K381-G385 WeakPolarHBondContact CG-O 3.44Å; K381-G385 PolarHBondContact N-O 3.29Å; G383-G385 VanDerWaalsContact C-N 3.34Å; G383-G385 PolarHBondContact O-N 2.83Å
386	Y	91.1	Very high	94	Very high	77 Å²	77	33 Å²	33	30%	0.302	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-74.4	164	175.2	-54.2	-44.6	0	0	0	112.9	M346 A347 V350 V380 T390	M346-Y386 HydrophobicContact CB-CD2 3.46Å; M346-Y386 VanDerWaalsContact CB-CD2 3.46Å; M346-Y386 HydrophobicContact CB-CE2 3.79Å; M346-Y386 HydrophobicContact CB-CG 3.97Å; M346-Y386 HydrophobicContact CE-CD2 3.83Å; M346-Y386 HydrophobicContact CE-CG 4.37Å; M346-Y386 HydrophobicContact CG-CD2 4.31Å; M346-Y386 VanDerWaalsContact SD-CB 3.52Å; M346-Y386 HydrophobicContact SD-CD2 3.96Å; M346-Y386 HydrophobicContact SD-CG 4.04Å; A347-Y386 WeakPolarHBondContact CA-OH 3.1Å; A347-Y386 HydrophobicContact CB-CE2 4.45Å; A347-Y386 WeakPolarHBondContact CB-OH 3.3Å; V350-Y386 HydrophobicContact CG2-CD1 4.09Å; V350-Y386 HydrophobicContact CG2-CE1 3.74Å; V380-Y386 HydrophobicContact CG2-CD1 4.05Å; V380-Y386 HydrophobicContact CG2-CE1 4.09Å; Y386-T390 HydrophobicContact CD1-CG2 4.26Å; Y386-T390 HydrophobicContact CG-CG2 4.27Å
387	T	91.5	Very high	94.1	Very high	17 Å²	17	33.3 Å²	33.3	10%	0.104	20%	0.203	C	C	.	.			trans	-118.5	179.5	-179	70.2	0	0	0	0	110.9	T378 K381 D389 T390 S391	T378-T387 HydrophobicContact CG2-CG2 4.07Å; T378-T387 VanDerWaalsContact O-CB 3.31Å; T378-T387 WeakPolarHBondContact O-CB 3.26Å; T378-T387 WeakPolarHBondContact O-CG2 3.35Å; T378-T387 PolarHBondContact O-OG1 3.4Å; K381-T387 HydrophobicContact CD-CG2 4.39Å; K381-T387 HydrophobicContact CG-CG2 3.66Å; T387-D389 VanDerWaalsContact C-N 3.26Å; T387-D389 PolarHBondContact O-N 3.28Å; T387-D389 WeakPolarHBondContact OG1-CB 3.36Å; T387-D389 PolarHBondContact OG1-N 2.9Å; T387-D389 VanDerWaalsContact OG1-N 3.16Å; T387-T390 PolarHBondContact N-OG1 3.47Å; T387-T390 WeakPolarHBondContact O-CB 3.35Å; T387-T390 PolarHBondContact O-N 3.37Å; T387-T390 PolarHBondContact OG1-OG1 3.39Å; T387-S391 PolarHBondContact O-N 3.27Å
388	Y	91.7	Very high	94.1	Very high	133 Å²	133	33.5 Å²	33.5	52%	0.522	20%	0.204	S	C	.	.	H	α-helix	trans	-65.1	-30	172	67.2	-88	0	0	0	112.3	T390 S391 D392 H419	Y388-T390 PolarHBondContact O-N 2.79Å; Y388-S391 VanDerWaalsContact CA-OG 3.28Å; Y388-S391 WeakPolarHBondContact CA-OG 3.35Å; Y388-S391 PolarHBondContact O-N 3.13Å; Y388-S391 PolarHBondContact O-OG 2.89Å; Y388-D392 WeakPolarHBondContact O-CB 3.36Å; Y388-D392 VanDerWaalsContact O-CG 3.3Å; Y388-D392 PolarHBondContact O-N 3.2Å; Y388-H419 AromaticContact CD2-CE1 3.66Å; Y388-H419 AromaticContact CD2-NE2 3.82Å; Y388-H419 AromaticContact CE2-CE1 3.42Å; Y388-H419 VanDerWaalsContact CE2-CE1 3.42Å; Y388-H419 WeakPolarHBondContact CE2-CE1 3.41Å; Y388-H419 AromaticContact CE2-ND1 3.76Å; Y388-H419 AromaticContact CE2-NE2 3.87Å
389	D	95.7	Very high	94.2	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.032	20%	0.196	C	C	.	.	H	α-helix	trans	-58.1	-39.4	173.4	-56.5	-30.6	0	0	0	111	L377 T378 T387 L393 H419	L377-D389 HydrophobicContact CB-CB 4.05Å; L377-D389 HydrophobicContact CD2-CB 4.27Å; T378-D389 PolarHBondContact N-OD2 2.94Å; T378-D389 VanDerWaalsContact O-OD2 3.11Å; T387-D389 VanDerWaalsContact C-N 3.26Å; T387-D389 PolarHBondContact O-N 3.28Å; T387-D389 WeakPolarHBondContact OG1-CB 3.36Å; T387-D389 PolarHBondContact OG1-N 2.9Å; T387-D389 VanDerWaalsContact OG1-N 3.16Å; D389-L393 VanDerWaalsContact O-CG 3.31Å; D389-L393 WeakPolarHBondContact O-CG 3.3Å; D389-L393 PolarHBondContact O-N 2.77Å; D389-L393 VanDerWaalsContact O-N 3.11Å; D389-H419 IonicContact OD1-CE1 3.85Å; D389-H419 PolarHBondContact OD1-CE1 2.94Å; D389-H419 IonicContact OD1-ND1 2.66Å
390	T	96	Very high	94.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-73.4	-41.7	179.3	-39.1	0	0	0	0	111.9	M346 I349 V350 V379 Y386 T387 Y388 D392 A394	M346-T390 HydrophobicContact CB-CG2 3.69Å; M346-T390 HydrophobicContact CG-CG2 3.86Å; M346-T390 HydrophobicContact SD-CG2 4.06Å; I349-T390 HydrophobicContact CB-CG2 4.44Å; I349-T390 HydrophobicContact CG2-CG2 4.43Å; V350-T390 HydrophobicContact CG2-CG2 4.08Å; V379-T390 VanDerWaalsContact C-OG1 3.28Å; V379-T390 WeakPolarHBondContact CA-OG1 3.36Å; V379-T390 PolarHBondContact O-OG1 3.38Å; Y386-T390 HydrophobicContact CD1-CG2 4.26Å; Y386-T390 HydrophobicContact CG-CG2 4.27Å; T387-T390 PolarHBondContact N-OG1 3.47Å; T387-T390 WeakPolarHBondContact O-CB 3.35Å; T387-T390 PolarHBondContact O-N 3.37Å; T387-T390 PolarHBondContact OG1-OG1 3.39Å; Y388-T390 PolarHBondContact O-N 2.79Å; T390-D392 VanDerWaalsContact C-N 3.33Å; T390-A394 WeakPolarHBondContact O-CB 3.44Å; T390-A394 PolarHBondContact O-N 2.74Å
391	S	95.3	Very high	94.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-37.5	176.7	58.4	0	0	0	0	111.5	T387 Y388 A394 A395	T387-S391 PolarHBondContact O-N 3.27Å; Y388-S391 VanDerWaalsContact CA-OG 3.28Å; Y388-S391 WeakPolarHBondContact CA-OG 3.35Å; Y388-S391 PolarHBondContact O-N 3.13Å; Y388-S391 PolarHBondContact O-OG 2.89Å; S391-A394 PolarHBondContact O-N 2.87Å; S391-A395 WeakPolarHBondContact O-CB 3.43Å; S391-A395 PolarHBondContact O-N 3.43Å
392	D	97.5	Very high	94.4	Very high	23 Å²	23	35.1 Å²	35.1	12%	0.123	22%	0.219	C	C	.	.	H	α-helix	trans	-70.7	-38	179	-74.1	-18.1	0	0	0	112.4	H241 Y388 T390 A395 L396 H419 I423	H241-D392 IonicContact NE2-OD1 2.57Å; Y388-D392 WeakPolarHBondContact O-CB 3.36Å; Y388-D392 VanDerWaalsContact O-CG 3.3Å; Y388-D392 PolarHBondContact O-N 3.2Å; T390-D392 VanDerWaalsContact C-N 3.33Å; D392-A395 PolarHBondContact O-N 3.48Å; D392-L396 WeakPolarHBondContact O-CB 3.46Å; D392-L396 PolarHBondContact O-N 2.93Å; D392-H419 IonicContact OD2-CD2 3.2Å; D392-H419 IonicContact OD2-CE1 3.28Å; D392-H419 IonicContact OD2-NE2 2.64Å; D392-H419 PolarHBondContact OD2-NE2 3.22Å; D392-I423 HydrophobicContact CB-CD1 3.77Å; D392-I423 HydrophobicContact CB-CG1 4.23Å
393	L	98.3	Very high	94.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-40.1	170.6	-75.2	171.4	0	0	0	111.8	I349 L353 V379 D389 L396 K397 I423 V426	I349-L393 HydrophobicContact CG1-CB 4.48Å; I349-L393 HydrophobicContact CG2-CB 3.76Å; I349-L393 HydrophobicContact CG2-CD1 3.98Å; L353-L393 HydrophobicContact CD1-CD1 4.35Å; V379-L393 HydrophobicContact CG1-CD1 4.18Å; D389-L393 VanDerWaalsContact O-CG 3.31Å; D389-L393 WeakPolarHBondContact O-CG 3.3Å; D389-L393 PolarHBondContact O-N 2.77Å; D389-L393 VanDerWaalsContact O-N 3.11Å; L393-L396 PolarHBondContact O-N 3.24Å; L393-K397 PolarHBondContact O-N 2.92Å; L393-I423 HydrophobicContact CD2-CD1 4.12Å; L393-I423 HydrophobicContact CD2-CG2 4.3Å; L393-I423 HydrophobicContact CG-CD1 3.82Å; L393-V426 HydrophobicContact CD1-CG1 3.99Å; L393-V426 HydrophobicContact CD2-CB 4.08Å; L393-V426 HydrophobicContact CD2-CG1 3.76Å
394	A	98.1	Very high	95.5	Very high	2 Å²	2	36 Å²	36	2%	0.017	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-40.4	174.7	0	0	0	0	0	111.6	K345 M346 I349 T390 S391 K397 N398	K345-A394 HydrophobicContact CB-CB 4.2Å; M346-A394 HydrophobicContact CG-CB 4.28Å; I349-A394 HydrophobicContact CG1-CB 3.83Å; T390-A394 WeakPolarHBondContact O-CB 3.44Å; T390-A394 PolarHBondContact O-N 2.74Å; S391-A394 PolarHBondContact O-N 2.87Å; A394-K397 PolarHBondContact O-N 2.76Å; A394-N398 WeakPolarHBondContact O-CB 3.37Å; A394-N398 PolarHBondContact O-N 3.46Å
395	A	98.3	Very high	96.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-44.1	175.9	0	0	0	0	0	111.9	Y342 S391 D392 K397 N398 R399	Y342-A395 HydrophobicContact CD1-CB 4.12Å; Y342-A395 HydrophobicContact CD2-CB 4.35Å; Y342-A395 VanDerWaalsContact CE1-CA 3.45Å; Y342-A395 HydrophobicContact CE1-CB 3.8Å; Y342-A395 HydrophobicContact CE2-CB 4.05Å; Y342-A395 HydrophobicContact CG-CB 4.36Å; S391-A395 WeakPolarHBondContact O-CB 3.43Å; S391-A395 PolarHBondContact O-N 3.43Å; D392-A395 PolarHBondContact O-N 3.48Å; A395-K397 PolarHBondContact O-N 3.38Å; A395-N398 PolarHBondContact O-N 3.34Å; A395-R399 WeakPolarHBondContact O-CB 3.2Å; A395-R399 WeakPolarHBondContact O-CD 3.48Å; A395-R399 WeakPolarHBondContact O-CG 3.36Å; A395-R399 PolarHBondContact O-N 3.02Å
396	L	98.5	Very high	96.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.9	-49	174.2	177.9	61.8	0	0	0	111.2	D392 L393 N398 R399 L400 I408 I423 F433 V440	D392-L396 WeakPolarHBondContact O-CB 3.46Å; D392-L396 PolarHBondContact O-N 2.93Å; L393-L396 PolarHBondContact O-N 3.24Å; L396-N398 PolarHBondContact O-N 3.36Å; L396-R399 PolarHBondContact O-N 2.92Å; L396-L400 HydrophobicContact CD1-CD1 3.79Å; L396-L400 HydrophobicContact CD1-CG 4.25Å; L396-L400 HydrophobicContact CG-CD1 3.93Å; L396-L400 WeakPolarHBondContact O-CG 3.44Å; L396-L400 PolarHBondContact O-N 2.89Å; L396-I408 HydrophobicContact CD1-CD1 4.07Å; L396-I423 HydrophobicContact CD2-CG2 3.96Å; L396-F433 HydrophobicContact CD2-CE1 4.19Å; L396-V440 HydrophobicContact CD1-CG1 4.13Å
397	K	98.1	Very high	96.9	Very high	49 Å²	49	32.5 Å²	32.5	21%	0.213	16%	0.157	C	C	.	.	H	α-helix	trans	-58.6	-49.6	176.8	-177	-178	173.1	175.6	0	111.7	D348 I349 L352 L393 A394 A395 R399 L400 V401 F432	D348-K397 IonicContact OD2-NZ 2.74Å; D348-K397 PolarHBondContact OD2-NZ 2.89Å; I349-K397 HydrophobicContact CD1-CB 4.15Å; I349-K397 HydrophobicContact CD1-CD 3.9Å; L352-K397 HydrophobicContact CD1-CD 4.46Å; L393-K397 PolarHBondContact O-N 2.92Å; A394-K397 PolarHBondContact O-N 2.76Å; A395-K397 PolarHBondContact O-N 3.38Å; K397-R399 VanDerWaalsContact C-N 3.31Å; K397-R399 PolarHBondContact O-N 3.16Å; K397-L400 PolarHBondContact O-N 3.46Å; K397-V401 HydrophobicContact CG-CG2 4.11Å; K397-V401 WeakPolarHBondContact O-CB 3.36Å; K397-V401 WeakPolarHBondContact O-CG2 3.45Å; K397-V401 PolarHBondContact O-N 2.96Å; K397-F432 HydrophobicContact CB-CD2 4.16Å; K397-F432 HydrophobicContact CB-CE1 4.32Å; K397-F432 HydrophobicContact CB-CE2 3.73Å; K397-F432 HydrophobicContact CB-CZ 3.83Å; K397-F432 HydrophobicContact CD-CE1 3.88Å; K397-F432 HydrophobicContact CD-CZ 3.8Å; K397-F432 HydrophobicContact CG-CD1 4.4Å; K397-F432 HydrophobicContact CG-CE1 3.99Å; K397-F432 HydrophobicContact CG-CE2 4.31Å; K397-F432 HydrophobicContact CG-CZ 3.95Å
398	N	98.1	Very high	97.2	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.027	15%	0.152	C	C	.	.	H	α-helix	trans	-59.2	-41.8	-179.9	171.3	-106	0	0	0	111.9	R337 Y342 A394 A395 L396 D402 E403	R337-N398 PolarHBondContact NH1-OD1 3.26Å; Y342-N398 HydrophobicContact CD1-CB 4.18Å; Y342-N398 HydrophobicContact CE1-CB 3.71Å; Y342-N398 WeakPolarHBondContact CE1-OD1 3.36Å; A394-N398 WeakPolarHBondContact O-CB 3.37Å; A394-N398 PolarHBondContact O-N 3.46Å; A395-N398 PolarHBondContact O-N 3.34Å; L396-N398 PolarHBondContact O-N 3.36Å; N398-D402 PolarHBondContact ND2-OD2 3.49Å; N398-D402 WeakPolarHBondContact O-CA 3.17Å; N398-D402 VanDerWaalsContact O-CB 3.31Å; N398-D402 WeakPolarHBondContact O-CB 3.24Å; N398-D402 PolarHBondContact O-N 3Å; N398-E403 PolarHBondContact O-N 2.86Å
399	R	98.2	Very high	97.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.9	-36.3	179.5	-67	164.1	-165.5	-164.2	3.2	112.3	V199 D201 L239 A395 L396 K397 E403 K404 A405 I408 Y410	V199-R399 HydrophobicContact CG1-CG 4.09Å; D201-R399 VanDerWaalsContact CB-NH1 3.35Å; D201-R399 IonicContact OD2-CZ 3.56Å; D201-R399 IonicContact OD2-NH1 2.8Å; D201-R399 PolarHBondContact OD2-NH1 3.28Å; D201-R399 IonicContact OD2-NH2 3.36Å; D201-R399 PolarHBondContact OD2-NH2 3.14Å; L239-R399 HydrophobicContact CD1-CG 4.24Å; A395-R399 WeakPolarHBondContact O-CB 3.2Å; A395-R399 WeakPolarHBondContact O-CD 3.48Å; A395-R399 WeakPolarHBondContact O-CG 3.36Å; A395-R399 PolarHBondContact O-N 3.02Å; L396-R399 PolarHBondContact O-N 2.92Å; K397-R399 VanDerWaalsContact C-N 3.31Å; K397-R399 PolarHBondContact O-N 3.16Å; R399-E403 WeakPolarHBondContact O-CB 2.82Å; R399-K404 PolarHBondContact O-N 2.99Å; R399-A405 VanDerWaalsContact O-CB 3.27Å; R399-A405 WeakPolarHBondContact O-CB 2.89Å; R399-A405 PolarHBondContact O-N 3.34Å; R399-A405 VanDerWaalsContact O-N 3.07Å; R399-I408 HydrophobicContact CB-CD1 3.58Å; R399-I408 HydrophobicContact CB-CG1 4.28Å; R399-Y410 VanDerWaalsContact NH1-CZ 3.32Å; R399-Y410 PolarHBondContact NH1-OH 2.73Å
400	L	98.1	Very high	97.7	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.042	13%	0.126	C	C	.	.	H	α-helix	trans	-76.5	-46.2	177.4	-69.8	167.8	0	0	0	112.4	L396 K397 K404 I408 F432 F433 H438 V440	L396-L400 HydrophobicContact CD1-CD1 3.79Å; L396-L400 HydrophobicContact CD1-CG 4.25Å; L396-L400 HydrophobicContact CG-CD1 3.93Å; L396-L400 WeakPolarHBondContact O-CG 3.44Å; L396-L400 PolarHBondContact O-N 2.89Å; K397-L400 PolarHBondContact O-N 3.46Å; L400-K404 VanDerWaalsContact O-CA 3.3Å; L400-K404 WeakPolarHBondContact O-CA 3.48Å; L400-I408 HydrophobicContact CD2-CD1 3.52Å; L400-I408 HydrophobicContact CD2-CG1 4.44Å; L400-I408 HydrophobicContact CG-CD1 3.59Å; L400-F432 HydrophobicContact CD1-CB 3.74Å; L400-F433 HydrophobicContact CD1-CB 4.06Å; L400-F433 HydrophobicContact CD1-CD1 3.69Å; L400-F433 HydrophobicContact CD1-CG 4.15Å; L400-F433 HydrophobicContact CD2-CB 4.28Å; L400-H438 HydrophobicContact CD2-CB 3.96Å; L400-H438 VanDerWaalsContact CD2-CD2 3.5Å; L400-H438 WeakPolarHBondContact CD2-CD2 3.39Å; L400-V440 HydrophobicContact CD2-CG2 4.27Å
401	V	95.9	Very high	97.8	Very high	76 Å²	76	25.3 Å²	25.3	46%	0.461	13%	0.126	S	C	.	.	H	α-helix	trans	-92.7	-48.1	-168.6	179.6	0	0	0	0	112.2	K397 K404	K397-V401 HydrophobicContact CG-CG2 4.11Å; K397-V401 WeakPolarHBondContact O-CB 3.36Å; K397-V401 WeakPolarHBondContact O-CG2 3.45Å; K397-V401 PolarHBondContact O-N 2.96Å; V401-K404 WeakPolarHBondContact O-CG 3.24Å
402	D	96.6	Very high	97.9	Very high	93 Å²	93	26.8 Å²	26.8	50%	0.497	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-46.1	-172.4	-53	-30.4	0	0	0	110.5	N398 K404	N398-D402 PolarHBondContact ND2-OD2 3.49Å; N398-D402 WeakPolarHBondContact O-CA 3.17Å; N398-D402 VanDerWaalsContact O-CB 3.31Å; N398-D402 WeakPolarHBondContact O-CB 3.24Å; N398-D402 PolarHBondContact O-N 3Å; D402-K404 VanDerWaalsContact C-N 3.29Å
403	E	97.3	Very high	97.8	Very high	32 Å²	32	28.6 Å²	28.6	15%	0.15	15%	0.145	C	C	.	.	S	Bend	trans	-78.5	-13.8	174.2	-60.8	-63.6	161.9	0	0	112.8	R197 V199 L237 R337 N398 R399 A405	R197-E403 WeakPolarHBondContact CD-O 3.37Å; R197-E403 IonicContact CZ-OE2 3.29Å; R197-E403 PolarHBondContact NE-O 2.96Å; R197-E403 IonicContact NE-OE2 2.72Å; R197-E403 IonicContact NH2-OE2 2.72Å; R197-E403 PolarHBondContact NH2-OE2 3.37Å; V199-E403 HydrophobicContact CG2-CB 4.35Å; L237-E403 HydrophobicContact CD2-CG 3.99Å; L237-E403 WeakPolarHBondContact CD2-OE2 3.27Å; R337-E403 IonicContact CZ-OE1 3.04Å; R337-E403 IonicContact NH1-OE1 3.97Å; R337-E403 PolarHBondContact NH1-OE1 2.91Å; R337-E403 IonicContact NH2-OE1 3.65Å; R337-E403 PolarHBondContact NH2-OE1 3.44Å; N398-E403 PolarHBondContact O-N 2.86Å; R399-E403 WeakPolarHBondContact O-CB 2.82Å; E403-A405 PolarHBondContact O-N 3.19Å
404	K	97.2	Very high	97.7	Very high	156 Å²	156	30.7 Å²	30.7	68%	0.678	16%	0.162	S	C	*	.			trans	52.4	40.9	178.5	-55.6	178.7	-176.8	178.5	0	112.7	R399 L400 V401 D402 D406	R399-K404 PolarHBondContact O-N 2.99Å; L400-K404 VanDerWaalsContact O-CA 3.3Å; L400-K404 WeakPolarHBondContact O-CA 3.48Å; V401-K404 WeakPolarHBondContact O-CG 3.24Å; D402-K404 VanDerWaalsContact C-N 3.29Å; K404-D406 PolarHBondContact O-N 3.46Å
405	A	98.3	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.			trans	-76	122.9	-178.3	0	0	0	0	0	110.5	V199 R399 E403 W407 I408 H438	V199-A405 HydrophobicContact CB-CB 4.15Å; V199-A405 HydrophobicContact CG2-CB 3.51Å; R399-A405 VanDerWaalsContact O-CB 3.27Å; R399-A405 WeakPolarHBondContact O-CB 2.89Å; R399-A405 PolarHBondContact O-N 3.34Å; R399-A405 VanDerWaalsContact O-N 3.07Å; E403-A405 PolarHBondContact O-N 3.19Å; A405-W407 VanDerWaalsContact C-N 3.28Å; A405-I408 HydrophobicContact CB-CD1 4.49Å; A405-I408 HydrophobicContact CB-CG1 3.88Å; A405-H438 PolarHBondContact O-CD2 2.94Å; A405-H438 VanDerWaalsContact O-CD2 3.26Å
406	D	97.7	Very high	97.4	Very high	64 Å²	64	37.6 Å²	37.6	34%	0.342	21%	0.211	S	C	.	.	S	Bend	trans	-71.2	-29	172	-54.4	-82.2	0	0	0	111.7	K196 R197 K404 H438 R439	K196-D406 HydrophobicContact CB-CB 3.94Å; K196-D406 WeakPolarHBondContact CB-OD2 3.27Å; K196-D406 HydrophobicContact CD-CB 3.95Å; K196-D406 HydrophobicContact CG-CB 4.3Å; R197-D406 PolarHBondContact N-OD2 2.87Å; R197-D406 PolarHBondContact O-N 2.99Å; K404-D406 PolarHBondContact O-N 3.46Å; D406-H438 WeakPolarHBondContact O-CA 3.33Å; D406-R439 PolarHBondContact O-N 3.33Å
407	W	98	Very high	97.3	Very high	16 Å²	16	38.9 Å²	38.9	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	128	179.5	-172.3	5.4	0	0	0	111.1	R197 V198 V199 L229 A405 I409 R439 C441 L596	R197-W407 PolarHBondContact O-N 3Å; V198-W407 CarbonylContact C-O 3.45Å; V198-W407 VanDerWaalsContact CA-O 3.28Å; V198-W407 WeakPolarHBondContact CA-O 3.41Å; V198-W407 HydrophobicContact CB-CB 4.45Å; V198-W407 HydrophobicContact CG1-CB 3.97Å; V198-W407 HydrophobicContact CG1-CD2 4.15Å; V198-W407 HydrophobicContact CG1-CE3 4.2Å; V198-W407 HydrophobicContact CG1-CG 4.07Å; V198-W407 WeakPolarHBondContact CG1-O 3.29Å; V198-W407 HydrophobicContact CG2-CB 4.11Å; V198-W407 HydrophobicContact CG2-CE3 4.11Å; V199-W407 PolarHBondContact N-O 3.2Å; L229-W407 HydrophobicContact CD2-CE3 4.24Å; L229-W407 HydrophobicContact CD2-CH2 4.15Å; L229-W407 HydrophobicContact CD2-CZ3 3.54Å; A405-W407 VanDerWaalsContact C-N 3.28Å; W407-I409 HydrophobicContact CD2-CD1 3.98Å; W407-I409 HydrophobicContact CD2-CG1 4.14Å; W407-I409 HydrophobicContact CE3-CD1 4.45Å; W407-I409 HydrophobicContact CG-CG1 4.21Å; W407-I409 HydrophobicContact CH2-CD1 4.13Å; W407-I409 HydrophobicContact CZ2-CD1 3.61Å; W407-I409 HydrophobicContact CZ2-CG1 4.13Å; W407-I409 VanDerWaalsContact NE1-CG1 3.29Å; W407-R439 CarbonylContact C-O 3.54Å; W407-R439 WeakPolarHBondContact CA-O 3.44Å; W407-R439 HydrophobicContact CB-CB 4.24Å; W407-R439 HydrophobicContact CD2-CG 4.45Å; W407-R439 HydrophobicContact CG-CB 3.91Å; W407-R439 HydrophobicContact CG-CG 4.13Å; W407-C441 PolarHBondContact NE1-SG 2.93Å; W407-L596 HydrophobicContact CH2-CD1 4.5Å; W407-L596 HydrophobicContact CH2-CD2 3.76Å; W407-L596 HydrophobicContact CH2-CG 4.37Å; W407-L596 HydrophobicContact CZ2-CD1 3.82Å; W407-L596 HydrophobicContact CZ2-CD2 3.93Å; W407-L596 HydrophobicContact CZ2-CG 4.12Å
408	I	98.6	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.6	173.6	-51.9	172.3	0	0	0	109.6	V199 L396 R399 L400 A405 Y410 R439 V440 C441	V199-I408 HydrophobicContact CB-CG1 4.46Å; V199-I408 HydrophobicContact CB-CG2 4.41Å; V199-I408 HydrophobicContact CG1-CG2 4.44Å; V199-I408 CarbonylContact O-C 3.59Å; V199-I408 WeakPolarHBondContact O-CA 3.48Å; L396-I408 HydrophobicContact CD1-CD1 4.07Å; R399-I408 HydrophobicContact CB-CD1 3.58Å; R399-I408 HydrophobicContact CB-CG1 4.28Å; L400-I408 HydrophobicContact CD2-CD1 3.52Å; L400-I408 HydrophobicContact CD2-CG1 4.44Å; L400-I408 HydrophobicContact CG-CD1 3.59Å; A405-I408 HydrophobicContact CB-CD1 4.49Å; A405-I408 HydrophobicContact CB-CG1 3.88Å; I408-Y410 HydrophobicContact CB-CE2 4.28Å; I408-Y410 HydrophobicContact CG2-CD2 3.97Å; I408-Y410 HydrophobicContact CG2-CE2 3.32Å; I408-R439 PolarHBondContact N-O 3.01Å; I408-V440 HydrophobicContact CB-CG1 4.34Å; I408-V440 HydrophobicContact CB-CG2 4.44Å; I408-V440 HydrophobicContact CD1-CG2 4.38Å; I408-V440 WeakPolarHBondContact O-CA 3.26Å; I408-C441 PolarHBondContact O-N 3.18Å
409	I	98.8	Very high	97.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.9	-177.8	-55.3	-179.6	0	0	0	109	V198 V199 V200 D201 I225 L229 W407 V411 C441 V443 L596	V198-I409 HydrophobicContact CG1-CD1 4Å; V198-I409 HydrophobicContact CG1-CG1 4.26Å; V199-I409 PolarHBondContact O-N 2.81Å; V200-I409 WeakPolarHBondContact CA-O 3.35Å; V200-I409 HydrophobicContact CB-CB 4.48Å; V200-I409 HydrophobicContact CG1-CB 4.21Å; V200-I409 HydrophobicContact CG1-CG2 4.27Å; V200-I409 HydrophobicContact CG2-CB 4.22Å; V200-I409 HydrophobicContact CG2-CD1 4.1Å; V200-I409 HydrophobicContact CG2-CG1 4.47Å; D201-I409 PolarHBondContact N-O 3.14Å; I225-I409 HydrophobicContact CG2-CD1 3.86Å; L229-I409 HydrophobicContact CD1-CD1 3.85Å; W407-I409 HydrophobicContact CD2-CD1 3.98Å; W407-I409 HydrophobicContact CD2-CG1 4.14Å; W407-I409 HydrophobicContact CE3-CD1 4.45Å; W407-I409 HydrophobicContact CG-CG1 4.21Å; W407-I409 HydrophobicContact CH2-CD1 4.13Å; W407-I409 HydrophobicContact CZ2-CD1 3.61Å; W407-I409 HydrophobicContact CZ2-CG1 4.13Å; W407-I409 VanDerWaalsContact NE1-CG1 3.29Å; I409-V411 HydrophobicContact CG2-CG2 4.1Å; I409-C441 WeakPolarHBondContact CA-O 3.43Å; I409-V443 HydrophobicContact CG2-CB 4.34Å; I409-V443 HydrophobicContact CG2-CG2 3.4Å; I409-L596 HydrophobicContact CD1-CD1 3.98Å; I409-L596 HydrophobicContact CD1-CD2 4.39Å; I409-L596 HydrophobicContact CG1-CD1 4.48Å; I409-L596 HydrophobicContact CG2-CD1 4.13Å
410	Y	98.7	Very high	97.2	Very high	5 Å²	5	41.3 Å²	41.3	2%	0.02	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	112.1	174.9	-65.4	-97.5	0	0	0	110	D201 R399 I408 V412 F420 F424 V440 C441 H442 V443	D201-Y410 HydrophobicContact CB-CD1 4.25Å; R399-Y410 VanDerWaalsContact NH1-CZ 3.32Å; R399-Y410 PolarHBondContact NH1-OH 2.73Å; I408-Y410 HydrophobicContact CB-CE2 4.28Å; I408-Y410 HydrophobicContact CG2-CD2 3.97Å; I408-Y410 HydrophobicContact CG2-CE2 3.32Å; Y410-V412 PolarHBondContact O-N 2.78Å; Y410-F420 HydrophobicContact CD1-CD1 4.11Å; Y410-F420 AromaticContact CD1-CE1 3.23Å; Y410-F420 HydrophobicContact CD1-CE1 3.23Å; Y410-F420 AromaticContact CD1-CZ 3.79Å; Y410-F420 HydrophobicContact CD1-CZ 3.79Å; Y410-F420 HydrophobicContact CD2-CD1 4.36Å; Y410-F420 HydrophobicContact CD2-CE1 4.25Å; Y410-F420 HydrophobicContact CE1-CD1 4.48Å; Y410-F420 AromaticContact CE1-CE1 3.69Å; Y410-F420 HydrophobicContact CE1-CE1 3.69Å; Y410-F420 HydrophobicContact CG-CD1 4Å; Y410-F420 AromaticContact CG-CE1 3.53Å; Y410-F420 HydrophobicContact CG-CE1 3.53Å; Y410-F420 HydrophobicContact CG-CZ 4.14Å; Y410-F424 AromaticContact CD2-CE1 3.91Å; Y410-F424 HydrophobicContact CD2-CE1 3.91Å; Y410-F424 AromaticContact CD2-CZ 3.69Å; Y410-F424 HydrophobicContact CD2-CZ 3.69Å; Y410-F424 AromaticContact CE2-CE1 3.64Å; Y410-F424 HydrophobicContact CE2-CE1 3.64Å; Y410-F424 AromaticContact CE2-CZ 3.92Å; Y410-F424 HydrophobicContact CE2-CZ 3.92Å; Y410-V440 HydrophobicContact CE2-CG1 4.1Å; Y410-C441 PolarHBondContact N-O 3.29Å; Y410-H442 PolarHBondContact O-CD2 3.16Å; Y410-V443 PolarHBondContact O-N 2.87Å
411	V	98.5	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	86.2	179.3	-168.9	0	0	0	0	109.2	V200 D201 F202 S218 I221 I225 I409 V443 F445	V200-V411 HydrophobicContact CG1-CG2 4.07Å; D201-V411 PolarHBondContact O-N 3.18Å; F202-V411 HydrophobicContact CB-CB 3.82Å; F202-V411 HydrophobicContact CB-CG2 4.15Å; S218-V411 PolarHBondContact OG-O 3.13Å; I221-V411 HydrophobicContact CB-CG1 3.95Å; I221-V411 HydrophobicContact CG2-CG1 3.73Å; I225-V411 HydrophobicContact CD1-CG2 4.28Å; I409-V411 HydrophobicContact CG2-CG2 4.1Å; V411-V443 HydrophobicContact CG1-CG1 4.25Å; V411-V443 HydrophobicContact CG2-CB 4.2Å; V411-V443 HydrophobicContact CG2-CG1 4.37Å; V411-F445 HydrophobicContact CG1-CD1 4.09Å; V411-F445 HydrophobicContact CG1-CE1 4.03Å
412	V	97.2	Very high	97.2	Very high	32 Å²	32	43 Å²	43	19%	0.194	24%	0.238	C	C	.	.			trans	-132.3	152.9	-173.8	-173.8	0	0	0	0	109.9	Y410 Q416 F420 H442 V443 P444	Y410-V412 PolarHBondContact O-N 2.78Å; V412-Q416 HydrophobicContact CG1-CB 3.84Å; V412-Q416 HydrophobicContact CG1-CG 3.79Å; V412-F420 HydrophobicContact CB-CE2 3.63Å; V412-F420 HydrophobicContact CB-CZ 4.22Å; V412-F420 HydrophobicContact CG1-CE2 3.86Å; V412-F420 HydrophobicContact CG2-CE2 3.67Å; V412-F420 HydrophobicContact CG2-CZ 3.71Å; V412-H442 PolarHBondContact O-NE2 3.08Å; V412-V443 PolarHBondContact N-O 3.11Å; V412-P444 WeakPolarHBondContact O-CA 3.42Å
413	D	95.7	Very high	97.3	Very high	62 Å²	62	38.6 Å²	38.6	33%	0.332	22%	0.215	S	C	.	.			trans	-57.9	153.8	-176.6	75.5	93.7	0	0	0	112.8	G415 Q416 F445	D413-G415 PolarHBondContact O-N 2.72Å; D413-G415 VanDerWaalsContact O-N 3.13Å; D413-G415 VanDerWaalsContact OD1-CA 3.27Å; D413-G415 WeakPolarHBondContact OD1-CA 3.28Å; D413-G415 PolarHBondContact OD1-N 2.65Å; D413-Q416 PolarHBondContact O-N 3.23Å; D413-Q416 VanDerWaalsContact O-N 3.11Å; D413-F445 HydrophobicContact CB-CD2 4.28Å; D413-F445 HydrophobicContact CB-CE2 3.68Å; D413-F445 HydrophobicContact CB-CZ 3.93Å; D413-F445 VanDerWaalsContact N-CZ 3.29Å
414	A	96	Very high	97.4	Very high	43 Å²	43	38.3 Å²	38.3	36%	0.355	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-62.1	-20.8	-176.7	0	0	0	0	0	113.8	Q416 A417 P444 F445	A414-Q416 PolarHBondContact O-N 3.31Å; A414-A417 VanDerWaalsContact O-CB 3.3Å; A414-A417 WeakPolarHBondContact O-CB 3.49Å; A414-A417 PolarHBondContact O-N 3.33Å; A414-P444 HydrophobicContact CB-CB 3.99Å; A414-F445 WeakPolarHBondContact CB-O 3.45Å; A414-F445 PolarHBondContact N-O 3.35Å
415	G	94.7	Very high	97.4	Very high	66 Å²	66	31.8 Å²	31.8	68%	0.68	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-64.1	-23.4	176	0	0	0	0	0	113.4	D413	D413-G415 PolarHBondContact O-N 2.72Å; D413-G415 VanDerWaalsContact O-N 3.13Å; D413-G415 VanDerWaalsContact OD1-CA 3.27Å; D413-G415 WeakPolarHBondContact OD1-CA 3.28Å; D413-G415 PolarHBondContact OD1-N 2.65Å
416	Q	95	Very high	97.4	Very high	82 Å²	82	31.8 Å²	31.8	38%	0.383	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-92.5	6.6	178.4	-62.5	-71.7	11.2	0	0	113.7	V412 D413 A414 L418 H419 F420	V412-Q416 HydrophobicContact CG1-CB 3.84Å; V412-Q416 HydrophobicContact CG1-CG 3.79Å; D413-Q416 PolarHBondContact O-N 3.23Å; D413-Q416 VanDerWaalsContact O-N 3.11Å; A414-Q416 PolarHBondContact O-N 3.31Å; Q416-L418 VanDerWaalsContact C-N 3.32Å; Q416-L418 PolarHBondContact O-N 3.46Å; Q416-H419 WeakPolarHBondContact O-CB 3.42Å; Q416-H419 PolarHBondContact O-N 3.1Å; Q416-H419 VanDerWaalsContact O-N 3.17Å; Q416-F420 HydrophobicContact CB-CD2 4.18Å; Q416-F420 HydrophobicContact CB-CE2 4.09Å; Q416-F420 WeakPolarHBondContact O-CD2 3.48Å; Q416-F420 PolarHBondContact O-N 3.09Å; Q416-F420 VanDerWaalsContact O-N 3.15Å
417	A	96.4	Very high	97.4	Very high	27 Å²	27	28.8 Å²	28.8	22%	0.223	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-39.8	-175.4	0	0	0	0	0	113.2	A414 F420 Q421	A414-A417 VanDerWaalsContact O-CB 3.3Å; A414-A417 WeakPolarHBondContact O-CB 3.49Å; A414-A417 PolarHBondContact O-N 3.33Å; A417-F420 PolarHBondContact O-N 3.25Å; A417-Q421 VanDerWaalsContact O-CG 3.27Å; A417-Q421 WeakPolarHBondContact O-CG 3.27Å; A417-Q421 PolarHBondContact O-N 3.34Å; A417-Q421 VanDerWaalsContact O-N 3.08Å
418	L	96.5	Very high	97.4	Very high	79 Å²	79	31.7 Å²	31.7	41%	0.414	19%	0.185	S	C	.	.	H	α-helix	trans	-62.3	-46.5	176.8	178.8	60.8	0	0	0	110.8	L373 V375 Q416 F420 Q421 Q422	L373-L418 HydrophobicContact CD1-CD1 4.36Å; V375-L418 HydrophobicContact CG2-CD2 4.47Å; Q416-L418 VanDerWaalsContact C-N 3.32Å; Q416-L418 PolarHBondContact O-N 3.46Å; L418-F420 PolarHBondContact O-N 2.88Å; L418-Q421 WeakPolarHBondContact O-CB 3.32Å; L418-Q421 PolarHBondContact O-N 2.94Å; L418-Q421 VanDerWaalsContact O-N 3.14Å; L418-Q422 HydrophobicContact CD1-CG 4.25Å; L418-Q422 HydrophobicContact CG-CG 4.37Å; L418-Q422 VanDerWaalsContact O-CG 3.25Å; L418-Q422 WeakPolarHBondContact O-CG 3.25Å; L418-Q422 PolarHBondContact O-N 3.11Å; L418-Q422 PolarHBondContact O-OE1 3.29Å
419	H	97.6	Very high	97.3	Very high	13 Å²	13	34.7 Å²	34.7	6%	0.06	20%	0.199	C	C	.	.	H	α-helix	trans	-55.4	-49.6	178.6	179.2	58.2	0	0	0	112.1	Y388 D389 D392 Q416 Q421 Q422 I423	Y388-H419 AromaticContact CD2-CE1 3.66Å; Y388-H419 AromaticContact CD2-NE2 3.82Å; Y388-H419 AromaticContact CE2-CE1 3.42Å; Y388-H419 VanDerWaalsContact CE2-CE1 3.42Å; Y388-H419 WeakPolarHBondContact CE2-CE1 3.41Å; Y388-H419 AromaticContact CE2-ND1 3.76Å; Y388-H419 AromaticContact CE2-NE2 3.87Å; D389-H419 IonicContact OD1-CE1 3.85Å; D389-H419 PolarHBondContact OD1-CE1 2.94Å; D389-H419 IonicContact OD1-ND1 2.66Å; D392-H419 IonicContact OD2-CD2 3.2Å; D392-H419 IonicContact OD2-CE1 3.28Å; D392-H419 IonicContact OD2-NE2 2.64Å; D392-H419 PolarHBondContact OD2-NE2 3.22Å; Q416-H419 WeakPolarHBondContact O-CB 3.42Å; Q416-H419 PolarHBondContact O-N 3.1Å; Q416-H419 VanDerWaalsContact O-N 3.17Å; H419-Q421 VanDerWaalsContact C-N 3.35Å; H419-Q421 PolarHBondContact O-N 3.07Å; H419-Q422 WeakPolarHBondContact O-CB 3.33Å; H419-Q422 PolarHBondContact O-N 2.95Å; H419-Q422 VanDerWaalsContact O-N 3.11Å; H419-I423 WeakPolarHBondContact O-CG1 3.4Å; H419-I423 PolarHBondContact O-N 2.93Å
420	F	97.7	Very high	97.2	Very high	13 Å²	13	35 Å²	35	6%	0.057	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-37	177.7	-78.6	-69.5	0	0	0	113.2	Y410 V412 Q416 A417 L418 Q422 I423 F424 H442	Y410-F420 HydrophobicContact CD1-CD1 4.11Å; Y410-F420 AromaticContact CD1-CE1 3.23Å; Y410-F420 HydrophobicContact CD1-CE1 3.23Å; Y410-F420 AromaticContact CD1-CZ 3.79Å; Y410-F420 HydrophobicContact CD1-CZ 3.79Å; Y410-F420 HydrophobicContact CD2-CD1 4.36Å; Y410-F420 HydrophobicContact CD2-CE1 4.25Å; Y410-F420 HydrophobicContact CE1-CD1 4.48Å; Y410-F420 AromaticContact CE1-CE1 3.69Å; Y410-F420 HydrophobicContact CE1-CE1 3.69Å; Y410-F420 HydrophobicContact CG-CD1 4Å; Y410-F420 AromaticContact CG-CE1 3.53Å; Y410-F420 HydrophobicContact CG-CE1 3.53Å; Y410-F420 HydrophobicContact CG-CZ 4.14Å; V412-F420 HydrophobicContact CB-CE2 3.63Å; V412-F420 HydrophobicContact CB-CZ 4.22Å; V412-F420 HydrophobicContact CG1-CE2 3.86Å; V412-F420 HydrophobicContact CG2-CE2 3.67Å; V412-F420 HydrophobicContact CG2-CZ 3.71Å; Q416-F420 HydrophobicContact CB-CD2 4.18Å; Q416-F420 HydrophobicContact CB-CE2 4.09Å; Q416-F420 WeakPolarHBondContact O-CD2 3.48Å; Q416-F420 PolarHBondContact O-N 3.09Å; Q416-F420 VanDerWaalsContact O-N 3.15Å; A417-F420 PolarHBondContact O-N 3.25Å; L418-F420 PolarHBondContact O-N 2.88Å; F420-Q422 VanDerWaalsContact C-N 3.29Å; F420-Q422 PolarHBondContact O-N 2.98Å; F420-I423 PolarHBondContact O-N 2.92Å; F420-F424 HydrophobicContact CB-CE2 4.08Å; F420-F424 HydrophobicContact CB-CZ 3.98Å; F420-F424 AromaticContact CD1-CE1 3.93Å; F420-F424 HydrophobicContact CD1-CE1 3.93Å; F420-F424 AromaticContact CD1-CZ 3.8Å; F420-F424 HydrophobicContact CD1-CZ 3.8Å; F420-F424 HydrophobicContact CG-CZ 4.26Å; F420-F424 WeakPolarHBondContact O-CB 3.31Å; F420-F424 WeakPolarHBondContact O-CD1 3.45Å; F420-F424 VanDerWaalsContact O-CD2 3.29Å; F420-F424 WeakPolarHBondContact O-CD2 3.1Å; F420-F424 WeakPolarHBondContact O-CG 3.43Å; F420-F424 PolarHBondContact O-N 2.93Å; F420-H442 HydrophobicContact CB-CB 4.03Å; F420-H442 AromaticContact CD2-CD2 3.78Å; F420-H442 AromaticContact CD2-CG 3.99Å; F420-H442 HydrophobicContact CG-CB 4.27Å
421	Q	97.4	Very high	97	Very high	107 Å²	107	37.5 Å²	37.5	50%	0.5	23%	0.228	S	C	.	.	H	α-helix	trans	-60	-42.1	172.8	-71	170.2	12.7	0	0	111.4	L373 A417 L418 H419 A425	L373-Q421 HydrophobicContact CD1-CB 4.24Å; A417-Q421 VanDerWaalsContact O-CG 3.27Å; A417-Q421 WeakPolarHBondContact O-CG 3.27Å; A417-Q421 PolarHBondContact O-N 3.34Å; A417-Q421 VanDerWaalsContact O-N 3.08Å; L418-Q421 WeakPolarHBondContact O-CB 3.32Å; L418-Q421 PolarHBondContact O-N 2.94Å; L418-Q421 VanDerWaalsContact O-N 3.14Å; H419-Q421 VanDerWaalsContact C-N 3.35Å; H419-Q421 PolarHBondContact O-N 3.07Å; Q421-A425 VanDerWaalsContact O-CB 3.27Å; Q421-A425 WeakPolarHBondContact O-CB 3.25Å; Q421-A425 PolarHBondContact O-N 3.44Å
422	Q	98.2	Very high	97	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.056	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-48.8	177.1	-64.2	172.6	-72	0	0	111.4	P370 L373 V375 L377 L418 H419 F420 F424 A425 V426	P370-Q422 HydrophobicContact CB-CB 4.19Å; P370-Q422 HydrophobicContact CB-CG 4.45Å; P370-Q422 HydrophobicContact CG-CB 3.53Å; P370-Q422 HydrophobicContact CG-CG 3.76Å; L373-Q422 HydrophobicContact CD1-CB 4.35Å; L373-Q422 HydrophobicContact CD1-CG 3.6Å; V375-Q422 PolarHBondContact O-NE2 3.37Å; L377-Q422 HydrophobicContact CD1-CB 4.16Å; L377-Q422 HydrophobicContact CD2-CB 3.71Å; L377-Q422 HydrophobicContact CD2-CG 4.42Å; L377-Q422 HydrophobicContact CG-CB 3.96Å; L418-Q422 HydrophobicContact CD1-CG 4.25Å; L418-Q422 HydrophobicContact CG-CG 4.37Å; L418-Q422 VanDerWaalsContact O-CG 3.25Å; L418-Q422 WeakPolarHBondContact O-CG 3.25Å; L418-Q422 PolarHBondContact O-N 3.11Å; L418-Q422 PolarHBondContact O-OE1 3.29Å; H419-Q422 WeakPolarHBondContact O-CB 3.33Å; H419-Q422 PolarHBondContact O-N 2.95Å; H419-Q422 VanDerWaalsContact O-N 3.11Å; F420-Q422 VanDerWaalsContact C-N 3.29Å; F420-Q422 PolarHBondContact O-N 2.98Å; Q422-F424 VanDerWaalsContact C-N 3.35Å; Q422-F424 PolarHBondContact O-N 3.33Å; Q422-A425 PolarHBondContact O-N 3.31Å; Q422-V426 WeakPolarHBondContact O-CG2 3.42Å; Q422-V426 PolarHBondContact O-N 3.24Å
423	I	98.3	Very high	97	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-45.1	177.6	-68.2	-69	0	0	0	111.4	L377 D392 L393 L396 H419 F420 V426 G427	L377-I423 HydrophobicContact CD1-CD1 3.78Å; L377-I423 HydrophobicContact CD1-CG1 4.41Å; D392-I423 HydrophobicContact CB-CD1 3.77Å; D392-I423 HydrophobicContact CB-CG1 4.23Å; L393-I423 HydrophobicContact CD2-CD1 4.12Å; L393-I423 HydrophobicContact CD2-CG2 4.3Å; L393-I423 HydrophobicContact CG-CD1 3.82Å; L396-I423 HydrophobicContact CD2-CG2 3.96Å; H419-I423 WeakPolarHBondContact O-CG1 3.4Å; H419-I423 PolarHBondContact O-N 2.93Å; F420-I423 PolarHBondContact O-N 2.92Å; I423-V426 PolarHBondContact O-N 3.43Å; I423-G427 PolarHBondContact O-N 2.99Å
424	F	98.1	Very high	97	Very high	27 Å²	27	38 Å²	38	12%	0.118	23%	0.231	C	C	.	.	H	α-helix	trans	-68.2	-41.1	179.7	-60.4	-15.2	0	0	0	112.1	Y410 F420 Q422 G427 K428 F433 V440 H442	Y410-F424 AromaticContact CD2-CE1 3.91Å; Y410-F424 HydrophobicContact CD2-CE1 3.91Å; Y410-F424 AromaticContact CD2-CZ 3.69Å; Y410-F424 HydrophobicContact CD2-CZ 3.69Å; Y410-F424 AromaticContact CE2-CE1 3.64Å; Y410-F424 HydrophobicContact CE2-CE1 3.64Å; Y410-F424 AromaticContact CE2-CZ 3.92Å; Y410-F424 HydrophobicContact CE2-CZ 3.92Å; F420-F424 HydrophobicContact CB-CE2 4.08Å; F420-F424 HydrophobicContact CB-CZ 3.98Å; F420-F424 AromaticContact CD1-CE1 3.93Å; F420-F424 HydrophobicContact CD1-CE1 3.93Å; F420-F424 AromaticContact CD1-CZ 3.8Å; F420-F424 HydrophobicContact CD1-CZ 3.8Å; F420-F424 HydrophobicContact CG-CZ 4.26Å; F420-F424 WeakPolarHBondContact O-CB 3.31Å; F420-F424 WeakPolarHBondContact O-CD1 3.45Å; F420-F424 VanDerWaalsContact O-CD2 3.29Å; F420-F424 WeakPolarHBondContact O-CD2 3.1Å; F420-F424 WeakPolarHBondContact O-CG 3.43Å; F420-F424 PolarHBondContact O-N 2.93Å; Q422-F424 VanDerWaalsContact C-N 3.35Å; Q422-F424 PolarHBondContact O-N 3.33Å; F424-G427 PolarHBondContact O-N 2.99Å; F424-K428 WeakPolarHBondContact O-CG 3.47Å; F424-K428 PolarHBondContact O-N 3.37Å; F424-F433 HydrophobicContact CB-CZ 4.25Å; F424-V440 HydrophobicContact CD1-CG1 3.66Å; F424-V440 HydrophobicContact CD2-CG1 4.41Å; F424-V440 HydrophobicContact CE1-CG1 3.43Å; F424-V440 VanDerWaalsContact CE1-CG1 3.43Å; F424-V440 HydrophobicContact CE2-CG1 4.21Å; F424-V440 HydrophobicContact CG-CG1 4.18Å; F424-V440 HydrophobicContact CZ-CG1 3.74Å; F424-H442 HydrophobicContact CE2-CB 4.19Å; F424-H442 HydrophobicContact CZ-CB 4.46Å
425	A	97.9	Very high	96.9	Very high	19 Å²	19	41.7 Å²	41.7	16%	0.157	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-43.7	176.9	0	0	0	0	0	111.6	P370 Q421 Q422 K428 Q429	P370-A425 HydrophobicContact CB-CB 3.79Å; Q421-A425 VanDerWaalsContact O-CB 3.27Å; Q421-A425 WeakPolarHBondContact O-CB 3.25Å; Q421-A425 PolarHBondContact O-N 3.44Å; Q422-A425 PolarHBondContact O-N 3.31Å; A425-K428 PolarHBondContact O-N 3.45Å; A425-Q429 WeakPolarHBondContact O-CG 3.48Å; A425-Q429 PolarHBondContact O-N 3.4Å; A425-Q429 PolarHBondContact O-OE1 3.17Å
426	V	98.3	Very high	96.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-41.7	175	173.1	0	0	0	0	111.3	L353 T368 P370 L377 L393 Q422 I423 K428 Q429 I430	L353-V426 HydrophobicContact CD2-CG1 3.96Å; T368-V426 HydrophobicContact CG2-CG1 4.26Å; T368-V426 HydrophobicContact CG2-CG2 4.08Å; P370-V426 HydrophobicContact CB-CG2 3.87Å; P370-V426 HydrophobicContact CG-CG2 3.82Å; L377-V426 HydrophobicContact CD1-CB 4.45Å; L377-V426 HydrophobicContact CD1-CG2 3.99Å; L393-V426 HydrophobicContact CD1-CG1 3.99Å; L393-V426 HydrophobicContact CD2-CB 4.08Å; L393-V426 HydrophobicContact CD2-CG1 3.76Å; Q422-V426 WeakPolarHBondContact O-CG2 3.42Å; Q422-V426 PolarHBondContact O-N 3.24Å; I423-V426 PolarHBondContact O-N 3.43Å; V426-K428 VanDerWaalsContact C-N 3.28Å; V426-K428 PolarHBondContact O-N 2.93Å; V426-Q429 PolarHBondContact O-N 3.4Å; V426-Q429 VanDerWaalsContact O-N 3.11Å; V426-I430 HydrophobicContact CG1-CD1 3.79Å; V426-I430 HydrophobicContact CG1-CG1 4.23Å; V426-I430 VanDerWaalsContact O-CG1 3.31Å; V426-I430 WeakPolarHBondContact O-CG1 3.47Å; V426-I430 PolarHBondContact O-N 3.49Å
427	G	97.7	Very high	96.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.5	-40.1	174.1	0	0	0	0	0	113	I423 F424 G431 F432	I423-G427 PolarHBondContact O-N 2.99Å; F424-G427 PolarHBondContact O-N 2.99Å; G427-G431 PolarHBondContact O-N 2.88Å; G427-G431 VanDerWaalsContact O-N 3.09Å; G427-F432 PolarHBondContact O-N 3.44Å
428	K	97.5	Very high	96.8	Very high	78 Å²	78	47 Å²	47	34%	0.339	26%	0.257	S	S	.	.	H	α-helix	trans	-68.5	-42.2	173.1	-70.2	177.4	-178.7	-175.2	0	112.5	F424 A425 V426 I430 G431 F433 D435	F424-K428 WeakPolarHBondContact O-CG 3.47Å; F424-K428 PolarHBondContact O-N 3.37Å; A425-K428 PolarHBondContact O-N 3.45Å; V426-K428 VanDerWaalsContact C-N 3.28Å; V426-K428 PolarHBondContact O-N 2.93Å; K428-I430 VanDerWaalsContact C-N 3.34Å; K428-I430 PolarHBondContact O-N 3.14Å; K428-G431 WeakPolarHBondContact O-CA 3.26Å; K428-G431 PolarHBondContact O-N 3.08Å; K428-F433 HydrophobicContact CD-CE2 4.38Å; K428-F433 HydrophobicContact CD-CZ 4.3Å; K428-F433 VanDerWaalsContact CE-CE2 3.42Å; K428-F433 HydrophobicContact CG-CD1 4.41Å; K428-F433 HydrophobicContact CG-CD2 4.46Å; K428-F433 HydrophobicContact CG-CE1 3.94Å; K428-F433 HydrophobicContact CG-CE2 4.02Å; K428-F433 HydrophobicContact CG-CZ 3.73Å; K428-D435 WeakPolarHBondContact CE-OD1 3.36Å; K428-D435 IonicContact NZ-OD1 3.72Å; K428-D435 PolarHBondContact NZ-OD1 3.4Å; K428-D435 IonicContact NZ-OD2 2.7Å; K428-D435 PolarHBondContact NZ-OD2 2.83Å
429	Q	97	Very high	96.8	Very high	63 Å²	63	48.4 Å²	48.4	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-62.4	-38.6	176.5	-74.7	169.3	-74.2	0	0	112.6	L358 F369 P370 A371 A425 V426 G431	L358-Q429 HydrophobicContact CD1-CB 4.13Å; F369-Q429 PolarHBondContact O-NE2 3.5Å; F369-Q429 PolarHBondContact O-OE1 3.15Å; P370-Q429 VanDerWaalsContact CA-OE1 3.31Å; A371-Q429 HydrophobicContact CB-CG 3.83Å; A371-Q429 VanDerWaalsContact N-CD 3.26Å; A425-Q429 WeakPolarHBondContact O-CG 3.48Å; A425-Q429 PolarHBondContact O-N 3.4Å; A425-Q429 PolarHBondContact O-OE1 3.17Å; V426-Q429 PolarHBondContact O-N 3.4Å; V426-Q429 VanDerWaalsContact O-N 3.11Å; Q429-G431 VanDerWaalsContact C-N 3.26Å
430	I	96.5	Very high	96.8	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.036	26%	0.259	C	S	.	.	H	α-helix	trans	-68	-32.2	173.3	-60.5	164.5	0	0	0	110.2	L353 K356 L358 V426 K428 F432	L353-I430 HydrophobicContact CD2-CD1 3.73Å; L353-I430 HydrophobicContact CD2-CG1 3.8Å; L353-I430 HydrophobicContact CG-CD1 4.2Å; K356-I430 HydrophobicContact CD-CB 4.45Å; K356-I430 HydrophobicContact CD-CG2 4.1Å; K356-I430 WeakPolarHBondContact CE-O 3.46Å; K356-I430 PolarHBondContact NZ-O 3.31Å; L358-I430 HydrophobicContact CD1-CG1 4.07Å; V426-I430 HydrophobicContact CG1-CD1 3.79Å; V426-I430 HydrophobicContact CG1-CG1 4.23Å; V426-I430 VanDerWaalsContact O-CG1 3.31Å; V426-I430 WeakPolarHBondContact O-CG1 3.47Å; V426-I430 PolarHBondContact O-N 3.49Å; K428-I430 VanDerWaalsContact C-N 3.34Å; K428-I430 PolarHBondContact O-N 3.14Å; I430-F432 HydrophobicContact CB-CD1 4.36Å; I430-F432 HydrophobicContact CB-CE1 4.21Å; I430-F432 HydrophobicContact CB-CZ 4.29Å; I430-F432 HydrophobicContact CD1-CE2 3.86Å; I430-F432 HydrophobicContact CD1-CZ 3.89Å; I430-F432 HydrophobicContact CG2-CD1 3.79Å; I430-F432 HydrophobicContact CG2-CE1 3.35Å; I430-F432 HydrophobicContact CG2-CE2 4.4Å; I430-F432 HydrophobicContact CG2-CG 4.48Å; I430-F432 HydrophobicContact CG2-CZ 3.69Å
431	G	95.8	Very high	96.8	Very high	56 Å²	56	49.2 Å²	49.2	58%	0.577	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	27.4	-178.9	0	0	0	0	0	113.4	G427 K428 Q429 F433	G427-G431 PolarHBondContact O-N 2.88Å; G427-G431 VanDerWaalsContact O-N 3.09Å; K428-G431 WeakPolarHBondContact O-CA 3.26Å; K428-G431 PolarHBondContact O-N 3.08Å; Q429-G431 VanDerWaalsContact C-N 3.26Å; G431-F433 VanDerWaalsContact C-N 3.32Å
432	F	97.1	Very high	96.8	Very high	30 Å²	30	45.7 Å²	45.7	13%	0.132	25%	0.248	C	C	.	.	S	Bend	trans	-67.3	-34	174.2	-65.3	-22	0	0	0	112.3	I349 L352 K397 L400 G427 I430	I349-F432 HydrophobicContact CD1-CE2 4.15Å; I349-F432 HydrophobicContact CD1-CZ 3.76Å; L352-F432 HydrophobicContact CD1-CE1 4.25Å; L352-F432 HydrophobicContact CD1-CZ 4.39Å; K397-F432 HydrophobicContact CB-CD2 4.16Å; K397-F432 HydrophobicContact CB-CE1 4.32Å; K397-F432 HydrophobicContact CB-CE2 3.73Å; K397-F432 HydrophobicContact CB-CZ 3.83Å; K397-F432 HydrophobicContact CD-CE1 3.88Å; K397-F432 HydrophobicContact CD-CZ 3.8Å; K397-F432 HydrophobicContact CG-CD1 4.4Å; K397-F432 HydrophobicContact CG-CE1 3.99Å; K397-F432 HydrophobicContact CG-CE2 4.31Å; K397-F432 HydrophobicContact CG-CZ 3.95Å; L400-F432 HydrophobicContact CD1-CB 3.74Å; G427-F432 PolarHBondContact O-N 3.44Å; I430-F432 HydrophobicContact CB-CD1 4.36Å; I430-F432 HydrophobicContact CB-CE1 4.21Å; I430-F432 HydrophobicContact CB-CZ 4.29Å; I430-F432 HydrophobicContact CD1-CE2 3.86Å; I430-F432 HydrophobicContact CD1-CZ 3.89Å; I430-F432 HydrophobicContact CG2-CD1 3.79Å; I430-F432 HydrophobicContact CG2-CE1 3.35Å; I430-F432 HydrophobicContact CG2-CE2 4.4Å; I430-F432 HydrophobicContact CG2-CG 4.48Å; I430-F432 HydrophobicContact CG2-CZ 3.69Å
433	F	97.6	Very high	96.8	Very high	7 Å²	7	45.2 Å²	45.2	3%	0.031	25%	0.246	C	C	.	.			trans	-158.2	169.9	178.6	72.8	-73.4	0	0	0	112.1	L396 L400 F424 K428 G431 H438 V440	L396-F433 HydrophobicContact CD2-CE1 4.19Å; L400-F433 HydrophobicContact CD1-CB 4.06Å; L400-F433 HydrophobicContact CD1-CD1 3.69Å; L400-F433 HydrophobicContact CD1-CG 4.15Å; L400-F433 HydrophobicContact CD2-CB 4.28Å; F424-F433 HydrophobicContact CB-CZ 4.25Å; K428-F433 HydrophobicContact CD-CE2 4.38Å; K428-F433 HydrophobicContact CD-CZ 4.3Å; K428-F433 VanDerWaalsContact CE-CE2 3.42Å; K428-F433 HydrophobicContact CG-CD1 4.41Å; K428-F433 HydrophobicContact CG-CD2 4.46Å; K428-F433 HydrophobicContact CG-CE1 3.94Å; K428-F433 HydrophobicContact CG-CE2 4.02Å; K428-F433 HydrophobicContact CG-CZ 3.73Å; G431-F433 VanDerWaalsContact C-N 3.32Å; F433-H438 HydrophobicContact CB-CB 3.98Å; F433-H438 WeakPolarHBondContact CB-ND1 2.98Å; F433-H438 HydrophobicContact CD2-CB 4.26Å; F433-H438 HydrophobicContact CG-CB 4.46Å; F433-V440 HydrophobicContact CD1-CG2 4.45Å; F433-V440 HydrophobicContact CD2-CB 4.44Å; F433-V440 HydrophobicContact CD2-CG2 3.78Å; F433-V440 HydrophobicContact CE1-CG2 4.33Å; F433-V440 HydrophobicContact CE2-CB 3.79Å; F433-V440 HydrophobicContact CE2-CG2 3.61Å; F433-V440 HydrophobicContact CG-CG2 4.2Å; F433-V440 HydrophobicContact CZ-CB 3.94Å; F433-V440 HydrophobicContact CZ-CG1 4.38Å; F433-V440 HydrophobicContact CZ-CG2 3.91Å
434	T	96.3	Very high	96.8	Very high	69 Å²	69	46.6 Å²	46.6	42%	0.423	26%	0.255	S	S	.	.			trans	-132.1	163.7	168.9	66.1	0	0	0	0	108.5	D436 T437 H438	T434-D436 PolarHBondContact O-N 3.41Å; T434-T437 PolarHBondContact N-OG1 3.02Å; T434-T437 PolarHBondContact O-N 3.33Å; T434-T437 PolarHBondContact O-OG1 3.1Å; T434-T437 WeakPolarHBondContact OG1-CG2 3.45Å; T434-T437 PolarHBondContact OG1-N 2.98Å; T434-T437 PolarHBondContact OG1-OG1 3.43Å; T434-T437 VanDerWaalsContact OG1-OG1 3.06Å; T434-H438 PolarHBondContact O-N 2.75Å; T434-H438 VanDerWaalsContact O-N 3.08Å
435	D	93.2	Very high	96.8	Very high	120 Å²	120	45.8 Å²	45.8	64%	0.642	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.8	177.9	-63.9	-48.1	0	0	0	113	K428	K428-D435 WeakPolarHBondContact CE-OD1 3.36Å; K428-D435 IonicContact NZ-OD1 3.72Å; K428-D435 PolarHBondContact NZ-OD1 3.4Å; K428-D435 IonicContact NZ-OD2 2.7Å; K428-D435 PolarHBondContact NZ-OD2 2.83Å
436	D	93	Very high	96.6	Very high	160 Å²	160	45.1 Å²	45.1	86%	0.856	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-20.1	175.2	-63.3	-43.8	0	0	0	113.2	T434	T434-D436 PolarHBondContact O-N 3.41Å
437	T	93.5	Very high	96.4	Very high	80 Å²	80	48.9 Å²	48.9	49%	0.491	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-36.1	-175.7	55.7	0	0	0	0	113.3	T434	T434-T437 PolarHBondContact N-OG1 3.02Å; T434-T437 PolarHBondContact O-N 3.33Å; T434-T437 PolarHBondContact O-OG1 3.1Å; T434-T437 WeakPolarHBondContact OG1-CG2 3.45Å; T434-T437 PolarHBondContact OG1-N 2.98Å; T434-T437 PolarHBondContact OG1-OG1 3.43Å; T434-T437 VanDerWaalsContact OG1-OG1 3.06Å
438	H	97.2	Very high	96.2	Very high	45 Å²	45	49.3 Å²	49.3	21%	0.208	27%	0.269	C	S	.	.			trans	-142.7	145.1	-176.8	-55.6	80.2	0	0	0	110.8	L400 A405 D406 F433 T434 V440	L400-H438 HydrophobicContact CD2-CB 3.96Å; L400-H438 VanDerWaalsContact CD2-CD2 3.5Å; L400-H438 WeakPolarHBondContact CD2-CD2 3.39Å; A405-H438 PolarHBondContact O-CD2 2.94Å; A405-H438 VanDerWaalsContact O-CD2 3.26Å; D406-H438 WeakPolarHBondContact O-CA 3.33Å; F433-H438 HydrophobicContact CB-CB 3.98Å; F433-H438 WeakPolarHBondContact CB-ND1 2.98Å; F433-H438 HydrophobicContact CD2-CB 4.26Å; F433-H438 HydrophobicContact CG-CB 4.46Å; T434-H438 PolarHBondContact O-N 2.75Å; T434-H438 VanDerWaalsContact O-N 3.08Å; H438-V440 HydrophobicContact CB-CG2 4.3Å
439	R	96.2	Very high	96	Very high	109 Å²	109	46.8 Å²	46.8	41%	0.411	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.9	168.3	-170.7	175.8	177.3	-172.8	1.5	108	D406 W407 I408 E594	D406-R439 PolarHBondContact O-N 3.33Å; W407-R439 CarbonylContact C-O 3.54Å; W407-R439 WeakPolarHBondContact CA-O 3.44Å; W407-R439 HydrophobicContact CB-CB 4.24Å; W407-R439 HydrophobicContact CD2-CG 4.45Å; W407-R439 HydrophobicContact CG-CB 3.91Å; W407-R439 HydrophobicContact CG-CG 4.13Å; I408-R439 PolarHBondContact N-O 3.01Å; R439-E594 PolarHBondContact NH2-O 2.71Å
440	V	98.2	Very high	95.7	Very high	19 Å²	19	44 Å²	44	12%	0.115	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.2	174.8	-176.2	0	0	0	0	107.9	L396 L400 I408 Y410 F424 F433 H438	L396-V440 HydrophobicContact CD1-CG1 4.13Å; L400-V440 HydrophobicContact CD2-CG2 4.27Å; I408-V440 HydrophobicContact CB-CG1 4.34Å; I408-V440 HydrophobicContact CB-CG2 4.44Å; I408-V440 HydrophobicContact CD1-CG2 4.38Å; I408-V440 WeakPolarHBondContact O-CA 3.26Å; Y410-V440 HydrophobicContact CE2-CG1 4.1Å; F424-V440 HydrophobicContact CD1-CG1 3.66Å; F424-V440 HydrophobicContact CD2-CG1 4.41Å; F424-V440 HydrophobicContact CE1-CG1 3.43Å; F424-V440 VanDerWaalsContact CE1-CG1 3.43Å; F424-V440 HydrophobicContact CE2-CG1 4.21Å; F424-V440 HydrophobicContact CG-CG1 4.18Å; F424-V440 HydrophobicContact CZ-CG1 3.74Å; F433-V440 HydrophobicContact CD1-CG2 4.45Å; F433-V440 HydrophobicContact CD2-CB 4.44Å; F433-V440 HydrophobicContact CD2-CG2 3.78Å; F433-V440 HydrophobicContact CE1-CG2 4.33Å; F433-V440 HydrophobicContact CE2-CB 3.79Å; F433-V440 HydrophobicContact CE2-CG2 3.61Å; F433-V440 HydrophobicContact CG-CG2 4.2Å; F433-V440 HydrophobicContact CZ-CB 3.94Å; F433-V440 HydrophobicContact CZ-CG1 4.38Å; F433-V440 HydrophobicContact CZ-CG2 3.91Å; H438-V440 HydrophobicContact CB-CG2 4.3Å
441	C	97	Very high	95.3	Very high	25 Å²	25	49.9 Å²	49.9	17%	0.169	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.4	-175	64.4	0	0	0	0	113.8	W407 I408 I409 Y410	W407-C441 PolarHBondContact NE1-SG 2.93Å; I408-C441 PolarHBondContact O-N 3.18Å; I409-C441 WeakPolarHBondContact CA-O 3.43Å; Y410-C441 PolarHBondContact N-O 3.29Å
442	H	98.4	Very high	95.1	Very high	33 Å²	33	52 Å²	52	15%	0.153	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.1	164.9	174.6	-140.2	0	0	0	109.1	Y410 V412 F420 F424 P444	Y410-H442 PolarHBondContact O-CD2 3.16Å; V412-H442 PolarHBondContact O-NE2 3.08Å; F420-H442 HydrophobicContact CB-CB 4.03Å; F420-H442 AromaticContact CD2-CD2 3.78Å; F420-H442 AromaticContact CD2-CG 3.99Å; F420-H442 HydrophobicContact CG-CB 4.27Å; F424-H442 HydrophobicContact CE2-CB 4.19Å; F424-H442 HydrophobicContact CZ-CB 4.46Å; H442-P444 VanDerWaalsContact C-CD 3.42Å; H442-P444 WeakPolarHBondContact O-CD 3.4Å
443	V	98.4	Very high	94.8	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	85.1	174	176	0	0	0	0	106.7	I221 I225 I409 Y410 V411 V412 L596	I221-V443 HydrophobicContact CG2-CG1 4.16Å; I225-V443 HydrophobicContact CD1-CG1 3.94Å; I225-V443 HydrophobicContact CD1-CG2 4.4Å; I409-V443 HydrophobicContact CG2-CB 4.34Å; I409-V443 HydrophobicContact CG2-CG2 3.4Å; Y410-V443 PolarHBondContact O-N 2.87Å; V411-V443 HydrophobicContact CG1-CG1 4.25Å; V411-V443 HydrophobicContact CG2-CB 4.2Å; V411-V443 HydrophobicContact CG2-CG1 4.37Å; V412-V443 PolarHBondContact N-O 3.11Å; V443-L596 HydrophobicContact CG2-CD1 3.54Å
444	P	97.7	Very high	94.4	Very high	30 Å²	30	65 Å²	65	20%	0.195	33%	0.329	C	S	.	.			trans	-69.7	152.5	178.4	28.4	-35.4	0	0	0	111.3	V412 A414 H442 R516	V412-P444 WeakPolarHBondContact O-CA 3.42Å; A414-P444 HydrophobicContact CB-CB 3.99Å; H442-P444 VanDerWaalsContact C-CD 3.42Å; H442-P444 WeakPolarHBondContact O-CD 3.4Å; P444-R516 PolarHBondContact O-NE 2.64Å
445	F	97.3	Very high	94.1	Very high	10 Å²	10	66.8 Å²	66.8	4%	0.044	33%	0.331	C	S	.	.			trans	-142.2	153	168.8	56.7	-98.4	0	0	0	111.7	R217 I221 V411 D413 A414 R516	R217-F445 HydrophobicContact CB-CD2 3.7Å; R217-F445 HydrophobicContact CB-CE2 3.78Å; R217-F445 HydrophobicContact CB-CG 4.24Å; R217-F445 HydrophobicContact CB-CZ 4.36Å; R217-F445 HydrophobicContact CG-CD2 4.41Å; I221-F445 HydrophobicContact CD1-CB 3.79Å; I221-F445 HydrophobicContact CD1-CD1 4.1Å; I221-F445 HydrophobicContact CD1-CG 4.02Å; V411-F445 HydrophobicContact CG1-CD1 4.09Å; V411-F445 HydrophobicContact CG1-CE1 4.03Å; D413-F445 HydrophobicContact CB-CD2 4.28Å; D413-F445 HydrophobicContact CB-CE2 3.68Å; D413-F445 HydrophobicContact CB-CZ 3.93Å; D413-F445 VanDerWaalsContact N-CZ 3.29Å; A414-F445 WeakPolarHBondContact CB-O 3.45Å; A414-F445 PolarHBondContact N-O 3.35Å; F445-R516 CarbonylContact C-O 3.5Å; F445-R516 WeakPolarHBondContact CA-O 3.33Å; F445-R516 HydrophobicContact CB-CB 4.24Å; F445-R516 WeakPolarHBondContact CB-O 3.39Å
446	G	95.3	Very high	93.9	Very high	6 Å²	6	62.7 Å²	62.7	6%	0.062	31%	0.307	C	S	.	.			trans	-79.3	-161.6	179.4	0	0	0	0	0	114.1	R217 R516 V517 D519	R217-G446 WeakPolarHBondContact CD-O 3.33Å; R217-G446 VanDerWaalsContact NH1-CA 3.26Å; R217-G446 VanDerWaalsContact NH1-N 3.14Å; R217-G446 PolarHBondContact NH1-O 3.45Å; G446-R516 PolarHBondContact N-O 2.91Å; G446-V517 PolarHBondContact N-O 3.26Å; G446-D519 WeakPolarHBondContact CA-OD1 3.47Å
447	L	93.6	Very high	93.6	Very high	79 Å²	79	60.1 Å²	60.1	41%	0.414	29%	0.289	S	S	.	.			trans	-95.1	155.6	-179.6	-59.9	176.6	0	0	0	113.6	L449 D519 Y520	L447-L449 HydrophobicContact CB-CD2 4.19Å; L447-D519 PolarHBondContact N-OD1 2.87Å; L447-D519 VanDerWaalsContact O-CA 3.28Å; L447-D519 WeakPolarHBondContact O-CA 3.3Å; L447-Y520 PolarHBondContact O-N 3.49Å; L447-Y520 VanDerWaalsContact O-N 3.16Å
448	V	93.2	Very high	92.9	Very high	9 Å²	9	58.6 Å²	58.6	6%	0.055	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.2	164	-170.3	0	0	0	0	108.4	R217 F456 Y520 F522	R217-V448 HydrophobicContact CG-CG2 3.67Å; V448-F456 HydrophobicContact CB-CB 4.38Å; V448-F456 HydrophobicContact CG1-CB 4.05Å; V448-F456 HydrophobicContact CG1-CD1 3.97Å; V448-F456 HydrophobicContact CG1-CG 4.33Å; V448-F456 WeakPolarHBondContact O-CB 3.39Å; V448-F456 PolarHBondContact O-N 3.22Å; V448-Y520 HydrophobicContact CB-CE1 4.37Å; V448-Y520 HydrophobicContact CG1-CE1 4.23Å; V448-Y520 HydrophobicContact CG1-CE2 4.41Å; V448-Y520 HydrophobicContact CG2-CE1 3.79Å; V448-F522 HydrophobicContact CG1-CB 3.67Å; V448-F522 HydrophobicContact CG1-CG 4.44Å
449	L	93.4	Very high	92	Very high	24 Å²	24	69 Å²	69	13%	0.126	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	149.8	179.4	-52.6	-179	0	0	0	111	L447 K454 D519 Y520 V521 F522	L447-L449 HydrophobicContact CB-CD2 4.19Å; L449-K454 CarbonylContact C-O 3.57Å; L449-K454 WeakPolarHBondContact CA-O 3.44Å; L449-K454 WeakPolarHBondContact CB-O 3.41Å; L449-D519 HydrophobicContact CD1-CB 3.79Å; L449-D519 HydrophobicContact CG-CB 4.04Å; L449-Y520 WeakPolarHBondContact CB-O 3.22Å; L449-Y520 PolarHBondContact N-O 3.34Å; L449-V521 HydrophobicContact CB-CG2 4.14Å; L449-V521 WeakPolarHBondContact O-CA 3.1Å; L449-F522 PolarHBondContact O-N 2.95Å
450	G	91.1	Very high	91.2	Very high	4 Å²	4	68 Å²	68	4%	0.041	33%	0.327	C	S	.	.			trans	-78.2	175.8	165.3	0	0	0	0	0	111.7	D452 K453 K454 V521	G450-D452 PolarHBondContact O-N 3.4Å; G450-D452 VanDerWaalsContact O-N 3.15Å; G450-K453 WeakPolarHBondContact O-CA 3.46Å; G450-K453 PolarHBondContact O-N 2.94Å; G450-K454 PolarHBondContact N-O 3.39Å; G450-V521 WeakPolarHBondContact O-CG1 3.45Å
451	E	88.7	Confident	90.3	Very high	131 Å²	131	68.7 Å²	68.7	61%	0.612	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.5	178.3	-62.4	-171.2	152.9	0	0	113.3	K453 V521 S523	E451-K453 PolarHBondContact O-N 3.25Å; E451-V521 HydrophobicContact CG-CG1 4.38Å; E451-S523 VanDerWaalsContact OE1-CB 3.29Å; E451-S523 WeakPolarHBondContact OE1-CB 3.45Å; E451-S523 PolarHBondContact OE1-OG 2.67Å
452	D	90.6	Very high	89.5	Confident	101 Å²	101	72.3 Å²	72.3	54%	0.54	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	3.1	172.1	71.7	-17.4	0	0	0	113.9	G450 K454	G450-D452 PolarHBondContact O-N 3.4Å; G450-D452 VanDerWaalsContact O-N 3.15Å; D452-K454 PolarHBondContact O-N 3.39Å; D452-K454 PolarHBondContact OD1-N 2.9Å
453	K	90.2	Very high	88.9	Confident	166 Å²	166	73.3 Å²	73.3	72%	0.722	36%	0.363	S	S	*	.	S	Bend	trans	59.9	20.6	-175.4	-55.5	-176.7	179.4	-178.7	0	114.2	G450 E451 V521	G450-K453 WeakPolarHBondContact O-CA 3.46Å; G450-K453 PolarHBondContact O-N 2.94Å; E451-K453 PolarHBondContact O-N 3.25Å; K453-V521 HydrophobicContact CG-CG2 4.45Å
454	K	90.8	Very high	88.4	Confident	144 Å²	144	74.4 Å²	74.4	63%	0.626	37%	0.369	S	S	*	.	S	Bend	trans	-105.1	168.6	170.8	-61	179.7	-176.4	170.4	0	109.8	L449 G450 D452 F456	L449-K454 CarbonylContact C-O 3.57Å; L449-K454 WeakPolarHBondContact CA-O 3.44Å; L449-K454 WeakPolarHBondContact CB-O 3.41Å; G450-K454 PolarHBondContact N-O 3.39Å; D452-K454 PolarHBondContact O-N 3.39Å; D452-K454 PolarHBondContact OD1-N 2.9Å; K454-F456 PolarHBondContact O-N 2.65Å
455	K	88.9	Confident	88.2	Confident	107 Å²	107	76.1 Å²	76.1	47%	0.465	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-49.3	127.7	176.6	-173.8	174	-175.7	173.9	0	110	K457	K455-K457 VanDerWaalsContact O-CG 3.3Å; K455-K457 WeakPolarHBondContact O-CG 3.4Å; K455-K457 PolarHBondContact O-N 2.75Å; K455-K457 VanDerWaalsContact O-N 3.14Å
456	F	89	Confident	88	Confident	33 Å²	33	75.6 Å²	75.6	15%	0.145	37%	0.371	C	S	.	.			trans	-62.7	116.3	-173.9	-168	-144.2	0	0	0	111	V213 V448 K454 I464 L469 F522	V213-F456 HydrophobicContact CB-CD1 4.46Å; V213-F456 HydrophobicContact CG1-CD1 4.11Å; V213-F456 HydrophobicContact CG1-CE1 4.42Å; V213-F456 HydrophobicContact CG2-CD1 4.32Å; V448-F456 HydrophobicContact CB-CB 4.38Å; V448-F456 HydrophobicContact CG1-CB 4.05Å; V448-F456 HydrophobicContact CG1-CD1 3.97Å; V448-F456 HydrophobicContact CG1-CG 4.33Å; V448-F456 WeakPolarHBondContact O-CB 3.39Å; V448-F456 PolarHBondContact O-N 3.22Å; K454-F456 PolarHBondContact O-N 2.65Å; F456-I464 HydrophobicContact CD1-CD1 3.69Å; F456-I464 HydrophobicContact CD2-CD1 3.82Å; F456-I464 HydrophobicContact CE1-CD1 3.45Å; F456-I464 VanDerWaalsContact CE1-CD1 3.45Å; F456-I464 HydrophobicContact CE2-CD1 3.59Å; F456-I464 HydrophobicContact CG-CD1 3.86Å; F456-I464 HydrophobicContact CZ-CD1 3.39Å; F456-L469 HydrophobicContact CE1-CD1 3.95Å; F456-F522 HydrophobicContact CD1-CB 4.28Å; F456-F522 HydrophobicContact CD1-CD1 4.44Å; F456-F522 HydrophobicContact CD1-CG 4.46Å; F456-F522 HydrophobicContact CE1-CB 4.16Å; F456-F522 AromaticContact CE1-CD1 3.54Å; F456-F522 HydrophobicContact CE1-CD1 3.54Å; F456-F522 HydrophobicContact CE1-CE1 4.15Å; F456-F522 AromaticContact CE1-CG 3.95Å; F456-F522 HydrophobicContact CE1-CG 3.95Å; F456-F522 HydrophobicContact CE2-CD1 4.49Å; F456-F522 HydrophobicContact CZ-CB 4.48Å; F456-F522 AromaticContact CZ-CD1 3.57Å; F456-F522 HydrophobicContact CZ-CD1 3.57Å; F456-F522 HydrophobicContact CZ-CE1 4.22Å; F456-F522 HydrophobicContact CZ-CG 4.32Å
457	K	86.5	Confident	88	Confident	106 Å²	106	76.8 Å²	76.8	46%	0.461	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-137.7	156.6	-169.5	-79.2	172.6	166	-139.4	0	110.8	K455 G461 D462	K455-K457 VanDerWaalsContact O-CG 3.3Å; K455-K457 WeakPolarHBondContact O-CG 3.4Å; K455-K457 PolarHBondContact O-N 2.75Å; K455-K457 VanDerWaalsContact O-N 3.14Å; K457-G461 VanDerWaalsContact CD-O 3.24Å; K457-G461 WeakPolarHBondContact CD-O 3.39Å; K457-G461 WeakPolarHBondContact CE-O 3.2Å; K457-G461 PolarHBondContact NZ-O 3.23Å; K457-D462 CarbonylContact C-O 3.58Å; K457-D462 WeakPolarHBondContact CA-O 3.36Å; K457-D462 WeakPolarHBondContact CB-O 3.46Å
458	T	79.9	Confident	88	Confident	49 Å²	49	76.9 Å²	76.9	30%	0.301	38%	0.379	S	S	.	.			trans	-65.2	168.5	170.1	63.9	0	0	0	0	110.4	S460 G461 D462 I464	T458-S460 PolarHBondContact O-N 2.85Å; T458-S460 PolarHBondContact OG1-N 2.91Å; T458-S460 PolarHBondContact OG1-OG 3.02Å; T458-G461 PolarHBondContact O-N 3.38Å; T458-G461 PolarHBondContact OG1-N 3.34Å; T458-D462 HydrophobicContact CG2-CB 4.45Å; T458-D462 PolarHBondContact N-O 2.88Å; T458-D462 PolarHBondContact OG1-N 2.92Å; T458-D462 PolarHBondContact OG1-O 3.43Å; T458-I464 HydrophobicContact CG2-CB 4.47Å; T458-I464 HydrophobicContact CG2-CG1 3.74Å
459	R	78.5	Confident	88.1	Confident	263 Å²	263	76.6 Å²	76.6	99%	0.992	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26	172.2	-68.9	-176.5	179.4	-179.6	-0.1	113.2	G461	R459-G461 VanDerWaalsContact C-N 3.29Å
460	S	78.7	Confident	88.2	Confident	89 Å²	89	75.5 Å²	75.5	62%	0.622	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.9	174.1	58.6	0	0	0	0	113.6	T458 D462	T458-S460 PolarHBondContact O-N 2.85Å; T458-S460 PolarHBondContact OG1-N 2.91Å; T458-S460 PolarHBondContact OG1-OG 3.02Å; S460-D462 PolarHBondContact OG-OD2 3.08Å
461	G	79.2	Confident	88.5	Confident	32 Å²	32	79.1 Å²	79.1	33%	0.33	39%	0.39	S	S	.	.	S	Bend	trans	90.4	2.5	-177	0	0	0	0	0	114.8	K457 T458 R459	K457-G461 VanDerWaalsContact CD-O 3.24Å; K457-G461 WeakPolarHBondContact CD-O 3.39Å; K457-G461 WeakPolarHBondContact CE-O 3.2Å; K457-G461 PolarHBondContact NZ-O 3.23Å; T458-G461 PolarHBondContact O-N 3.38Å; T458-G461 PolarHBondContact OG1-N 3.34Å; R459-G461 VanDerWaalsContact C-N 3.29Å
462	D	81.1	Confident	88.8	Confident	102 Å²	102	75.2 Å²	75.2	55%	0.545	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-78.7	162	175.9	-62.4	-53.3	0	0	0	111.5	K457 T458 S460	K457-D462 CarbonylContact C-O 3.58Å; K457-D462 WeakPolarHBondContact CA-O 3.36Å; K457-D462 WeakPolarHBondContact CB-O 3.46Å; T458-D462 HydrophobicContact CG2-CB 4.45Å; T458-D462 PolarHBondContact N-O 2.88Å; T458-D462 PolarHBondContact OG1-N 2.92Å; T458-D462 PolarHBondContact OG1-O 3.43Å; S460-D462 PolarHBondContact OG-OD2 3.08Å
463	T	84	Confident	89	Confident	53 Å²	53	70.5 Å²	70.5	33%	0.325	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-75.1	134.5	175.2	-48.9	0	0	0	0	109.3	H212 V213 K465	H212-T463 HydrophobicContact CB-CG2 3.64Å; V213-T463 HydrophobicContact CG2-CG2 4.15Å; T463-K465 PolarHBondContact O-N 2.87Å
464	I	89.1	Confident	89.3	Confident	24 Å²	24	64.1 Å²	64.1	12%	0.123	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-67.3	128.3	-179.8	-61.1	171.5	0	0	0	109.7	H212 V213 F456 T458 L469	H212-I464 WeakPolarHBondContact CA-O 3.28Å; H212-I464 VanDerWaalsContact CB-O 3.31Å; H212-I464 WeakPolarHBondContact CB-O 3.06Å; V213-I464 HydrophobicContact CG1-CB 3.89Å; V213-I464 HydrophobicContact CG1-CG2 4.09Å; V213-I464 PolarHBondContact N-O 3.21Å; F456-I464 HydrophobicContact CD1-CD1 3.69Å; F456-I464 HydrophobicContact CD2-CD1 3.82Å; F456-I464 HydrophobicContact CE1-CD1 3.45Å; F456-I464 VanDerWaalsContact CE1-CD1 3.45Å; F456-I464 HydrophobicContact CE2-CD1 3.59Å; F456-I464 HydrophobicContact CG-CD1 3.86Å; F456-I464 HydrophobicContact CZ-CD1 3.39Å; T458-I464 HydrophobicContact CG2-CB 4.47Å; T458-I464 HydrophobicContact CG2-CG1 3.74Å; I464-L469 HydrophobicContact CG2-CB 4.21Å
465	K	92.4	Very high	89.5	Confident	66 Å²	66	63.9 Å²	63.9	29%	0.287	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-65.9	141.5	173.7	-57.1	-175.3	-175.9	-162.6	0	109.7	E210 T463 S467 D468 L469	E210-K465 VanDerWaalsContact CD-NZ 3.26Å; E210-K465 WeakPolarHBondContact OE1-CD 3.4Å; E210-K465 WeakPolarHBondContact OE1-CE 3.36Å; E210-K465 IonicContact OE1-NZ 2.81Å; E210-K465 PolarHBondContact OE1-NZ 3.13Å; E210-K465 WeakPolarHBondContact OE2-CE 3.38Å; E210-K465 IonicContact OE2-NZ 3.69Å; E210-K465 PolarHBondContact OE2-NZ 3.17Å; T463-K465 PolarHBondContact O-N 2.87Å; K465-S467 VanDerWaalsContact C-N 3.33Å; K465-S467 PolarHBondContact O-N 3.23Å; K465-D468 HydrophobicContact CB-CB 4.29Å; K465-D468 PolarHBondContact O-N 3.46Å; K465-L469 PolarHBondContact O-N 3.04Å
466	L	94.5	Very high	89.8	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-69	-34.9	-178.1	-177.3	50.9	0	0	0	111.8	M211 L216 I326 D468 L469 L470	M211-L466 HydrophobicContact CB-CB 4.24Å; M211-L466 HydrophobicContact CB-CD2 4.41Å; M211-L466 HydrophobicContact CE-CD2 4.14Å; M211-L466 PolarHBondContact O-N 3.1Å; L216-L466 HydrophobicContact CB-CD1 3.95Å; L216-L466 HydrophobicContact CB-CD2 4.22Å; L216-L466 HydrophobicContact CD1-CD1 4.02Å; L216-L466 HydrophobicContact CD2-CD1 4.3Å; L216-L466 HydrophobicContact CG-CD1 4.3Å; I326-L466 HydrophobicContact CD1-CB 4.19Å; I326-L466 HydrophobicContact CD1-CG 4.43Å; I326-L466 HydrophobicContact CG2-CD2 3.58Å; I326-L466 HydrophobicContact CG2-CG 3.97Å; L466-D468 PolarHBondContact O-N 3.37Å; L466-L469 HydrophobicContact CD1-CD2 4.32Å; L466-L469 PolarHBondContact O-N 2.97Å; L466-L470 HydrophobicContact CD1-CD1 4.45Å; L466-L470 HydrophobicContact CD1-CG 4.18Å; L466-L470 HydrophobicContact CG-CD1 4.29Å; L466-L470 HydrophobicContact CG-CG 4.5Å; L466-L470 VanDerWaalsContact O-CG 3.26Å; L466-L470 WeakPolarHBondContact O-CG 3.39Å; L466-L470 PolarHBondContact O-N 3.49Å
467	S	94.7	Very high	90.1	Very high	30 Å²	30	60.4 Å²	60.4	21%	0.21	30%	0.299	C	S	.	.	H	α-helix	trans	-53.5	-51.3	171.5	50.7	0	0	0	0	112.1	R329 K465 L469 L470 D471	R329-S467 PolarHBondContact NH1-O 2.95Å; K465-S467 VanDerWaalsContact C-N 3.33Å; K465-S467 PolarHBondContact O-N 3.23Å; S467-L469 VanDerWaalsContact C-N 3.31Å; S467-L469 PolarHBondContact O-N 3.48Å; S467-L470 PolarHBondContact O-N 2.93Å; S467-L470 VanDerWaalsContact O-N 3.11Å; S467-D471 VanDerWaalsContact O-CG 3.22Å; S467-D471 PolarHBondContact O-N 2.82Å
468	D	94	Very high	90.5	Very high	81 Å²	81	59.6 Å²	59.6	43%	0.433	30%	0.295	S	S	.	.	H	α-helix	trans	-65.8	-37.7	-175.3	-55.7	-0.4	0	0	0	110.8	K465 L466 D471 E472	K465-D468 HydrophobicContact CB-CB 4.29Å; K465-D468 PolarHBondContact O-N 3.46Å; L466-D468 PolarHBondContact O-N 3.37Å; D468-D471 PolarHBondContact O-N 3.22Å; D468-E472 WeakPolarHBondContact O-CB 3.49Å; D468-E472 PolarHBondContact O-N 3.28Å
469	L	93.9	Very high	91.2	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-45.3	173.9	-177.8	148.2	0	0	0	111.1	V213 L216 F456 I464 K465 L466 S467 E472 G473 I507 F522 F524	V213-L469 HydrophobicContact CG1-CD1 3.51Å; L216-L469 HydrophobicContact CD2-CD2 4.47Å; F456-L469 HydrophobicContact CE1-CD1 3.95Å; I464-L469 HydrophobicContact CG2-CB 4.21Å; K465-L469 PolarHBondContact O-N 3.04Å; L466-L469 HydrophobicContact CD1-CD2 4.32Å; L466-L469 PolarHBondContact O-N 2.97Å; S467-L469 VanDerWaalsContact C-N 3.31Å; S467-L469 PolarHBondContact O-N 3.48Å; L469-E472 PolarHBondContact O-N 3.16Å; L469-G473 PolarHBondContact O-N 3.49Å; L469-I507 HydrophobicContact CD2-CD1 3.67Å; L469-I507 HydrophobicContact CD2-CG1 4.13Å; L469-I507 HydrophobicContact CD2-CG2 3.91Å; L469-F522 HydrophobicContact CD1-CE1 4.18Å; L469-F522 HydrophobicContact CD1-CE2 4.25Å; L469-F522 HydrophobicContact CD1-CZ 3.94Å; L469-F522 HydrophobicContact CD2-CZ 4.26Å; L469-F522 HydrophobicContact CG-CZ 4.23Å; L469-F524 HydrophobicContact CG-CZ 4.2Å; L469-F524 WeakPolarHBondContact O-CZ 3.39Å
470	L	96.5	Very high	91.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.2	-36.2	179.9	-66.3	174.3	0	0	0	111.6	I326 R329 L330 L466 S467 G473 L474 Y504 I507	I326-L470 HydrophobicContact CG2-CD1 4.21Å; R329-L470 HydrophobicContact CB-CD1 4.25Å; R329-L470 PolarHBondContact NH2-O 3.45Å; L330-L470 HydrophobicContact CD2-CD1 4.48Å; L330-L470 HydrophobicContact CD2-CD2 3.74Å; L330-L470 HydrophobicContact CG-CD1 4.27Å; L330-L470 HydrophobicContact CG-CD2 4.41Å; L466-L470 HydrophobicContact CD1-CD1 4.45Å; L466-L470 HydrophobicContact CD1-CG 4.18Å; L466-L470 HydrophobicContact CG-CD1 4.29Å; L466-L470 HydrophobicContact CG-CG 4.5Å; L466-L470 VanDerWaalsContact O-CG 3.26Å; L466-L470 WeakPolarHBondContact O-CG 3.39Å; L466-L470 PolarHBondContact O-N 3.49Å; S467-L470 PolarHBondContact O-N 2.93Å; S467-L470 VanDerWaalsContact O-N 3.11Å; L470-G473 PolarHBondContact O-N 2.96Å; L470-L474 PolarHBondContact O-N 3.11Å; L470-Y504 HydrophobicContact CB-CE1 4Å; L470-Y504 HydrophobicContact CD2-CD1 3.78Å; L470-Y504 HydrophobicContact CD2-CE1 3.95Å; L470-Y504 HydrophobicContact CG-CE1 4.47Å; L470-I507 HydrophobicContact CD2-CD1 3.93Å
471	D	96.7	Very high	92.5	Very high	81 Å²	81	45.3 Å²	45.3	43%	0.433	23%	0.234	S	C	.	.	H	α-helix	trans	-65.9	-44.5	176.3	-67.3	-19.8	0	0	0	111.3	R329 S467 D468 G473 L474 R475	R329-D471 IonicContact CZ-OD1 2.76Å; R329-D471 IonicContact NH1-OD1 3.02Å; R329-D471 PolarHBondContact NH1-OD1 3.08Å; R329-D471 VanDerWaalsContact NH2-N 3.12Å; R329-D471 IonicContact NH2-OD1 3.6Å; R329-D471 PolarHBondContact NH2-OD1 2.85Å; S467-D471 VanDerWaalsContact O-CG 3.22Å; S467-D471 PolarHBondContact O-N 2.82Å; D468-D471 PolarHBondContact O-N 3.22Å; D471-G473 VanDerWaalsContact C-N 3.3Å; D471-G473 PolarHBondContact O-N 3.43Å; D471-L474 PolarHBondContact O-N 3.39Å; D471-R475 PolarHBondContact O-N 3.26Å
472	E	94.8	Very high	93.3	Very high	49 Å²	49	47.8 Å²	47.8	23%	0.229	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-39.2	174.7	178.5	62.5	-178.5	0	0	111.5	D468 L469 R475 R476 F524	D468-E472 WeakPolarHBondContact O-CB 3.49Å; D468-E472 PolarHBondContact O-N 3.28Å; L469-E472 PolarHBondContact O-N 3.16Å; E472-R475 VanDerWaalsContact CD-NH2 3.31Å; E472-R475 PolarHBondContact O-N 3.41Å; E472-R475 IonicContact OE1-CZ 2.62Å; E472-R475 IonicContact OE1-NE 3.71Å; E472-R475 IonicContact OE1-NH2 3.46Å; E472-R475 PolarHBondContact OE1-NH2 3.48Å; E472-R475 IonicContact OE2-CZ 3.81Å; E472-R475 IonicContact OE2-NE 2.72Å; E472-R475 PolarHBondContact OE2-NE 3.35Å; E472-R475 IonicContact OE2-NH2 3.22Å; E472-R475 PolarHBondContact OE2-NH2 3.17Å; E472-R475 VanDerWaalsContact OE2-NH2 3.14Å; E472-R476 WeakPolarHBondContact O-CG 3.28Å; E472-R476 PolarHBondContact O-N 3.01Å; E472-R476 IonicContact OE1-CZ 2.7Å; E472-R476 IonicContact OE1-NE 3.11Å; E472-R476 PolarHBondContact OE1-NE 3.4Å; E472-R476 IonicContact OE1-NH2 2.82Å; E472-R476 PolarHBondContact OE1-NH2 3.41Å; E472-F524 HydrophobicContact CB-CE2 4.08Å; E472-F524 HydrophobicContact CB-CZ 4.09Å; E472-F524 HydrophobicContact CG-CD2 3.99Å; E472-F524 HydrophobicContact CG-CE2 3.49Å; E472-F524 VanDerWaalsContact CG-CE2 3.49Å; E472-F524 HydrophobicContact CG-CZ 3.89Å
473	G	95	Very high	93.8	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-59	-46.9	173.2	0	0	0	0	0	112.8	L469 L470 D471 R476 A477	L469-G473 PolarHBondContact O-N 3.49Å; L470-G473 PolarHBondContact O-N 2.96Å; D471-G473 VanDerWaalsContact C-N 3.3Å; D471-G473 PolarHBondContact O-N 3.43Å; G473-R476 PolarHBondContact O-N 3.34Å; G473-A477 VanDerWaalsContact O-CB 3.26Å; G473-A477 WeakPolarHBondContact O-CB 3.35Å; G473-A477 PolarHBondContact O-N 2.88Å
474	L	96.3	Very high	94.1	Very high	31 Å²	31	49.5 Å²	49.5	16%	0.162	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-45.3	175.5	-80.8	177.1	0	0	0	112.1	L470 D471 R476 A477 K478 Q499 K500 A503 Y504	L470-L474 PolarHBondContact O-N 3.11Å; D471-L474 PolarHBondContact O-N 3.39Å; L474-R476 PolarHBondContact O-N 3.04Å; L474-A477 PolarHBondContact O-N 2.71Å; L474-K478 WeakPolarHBondContact O-CB 3.43Å; L474-K478 PolarHBondContact O-N 3.06Å; L474-Q499 HydrophobicContact CD2-CG 4.01Å; L474-Q499 PolarHBondContact O-NE2 2.97Å; L474-K500 HydrophobicContact CD2-CG 4.06Å; L474-A503 HydrophobicContact CD2-CB 3.84Å; L474-A503 HydrophobicContact CG-CB 4.24Å; L474-Y504 HydrophobicContact CD1-CE1 4.47Å; L474-Y504 VanDerWaalsContact CD1-OH 3.31Å; L474-Y504 WeakPolarHBondContact CD1-OH 3.4Å; L474-Y504 HydrophobicContact CD2-CE1 4.31Å; L474-Y504 HydrophobicContact CD2-CE2 4.46Å; L474-Y504 HydrophobicContact CG-CE1 4.03Å
475	R	96.9	Very high	94.2	Very high	139 Å²	139	53.5 Å²	53.5	53%	0.525	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-46.2	-179.7	-170.8	-169.4	67.7	76.1	0.8	111.3	D471 E472 A479	D471-R475 PolarHBondContact O-N 3.26Å; E472-R475 VanDerWaalsContact CD-NH2 3.31Å; E472-R475 PolarHBondContact O-N 3.41Å; E472-R475 IonicContact OE1-CZ 2.62Å; E472-R475 IonicContact OE1-NE 3.71Å; E472-R475 IonicContact OE1-NH2 3.46Å; E472-R475 PolarHBondContact OE1-NH2 3.48Å; E472-R475 IonicContact OE2-CZ 3.81Å; E472-R475 IonicContact OE2-NE 2.72Å; E472-R475 PolarHBondContact OE2-NE 3.35Å; E472-R475 IonicContact OE2-NH2 3.22Å; E472-R475 PolarHBondContact OE2-NH2 3.17Å; E472-R475 VanDerWaalsContact OE2-NH2 3.14Å; R475-A479 PolarHBondContact O-N 3.17Å
476	R	94.8	Very high	94.1	Very high	68 Å²	68	53 Å²	53	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-71.4	-39.5	179.5	-67.6	-172	-175.7	-136.7	1.2	112.9	E472 G473 L474 K478 A479 K480 F524 D525 L528	E472-R476 WeakPolarHBondContact O-CG 3.28Å; E472-R476 PolarHBondContact O-N 3.01Å; E472-R476 IonicContact OE1-CZ 2.7Å; E472-R476 IonicContact OE1-NE 3.11Å; E472-R476 PolarHBondContact OE1-NE 3.4Å; E472-R476 IonicContact OE1-NH2 2.82Å; E472-R476 PolarHBondContact OE1-NH2 3.41Å; G473-R476 PolarHBondContact O-N 3.34Å; L474-R476 PolarHBondContact O-N 3.04Å; R476-K478 VanDerWaalsContact C-N 3.31Å; R476-K478 PolarHBondContact O-N 3.28Å; R476-A479 PolarHBondContact O-N 2.77Å; R476-K480 PolarHBondContact O-N 2.94Å; R476-F524 VanDerWaalsContact NH1-CB 3.34Å; R476-D525 IonicContact NH1-OD1 2.81Å; R476-D525 PolarHBondContact NH1-OD1 2.76Å; R476-D525 IonicContact NH1-OD2 2.76Å; R476-L528 HydrophobicContact CB-CD1 3.37Å; R476-L528 HydrophobicContact CG-CD1 4.43Å
477	A	94.1	Very high	93.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-42.4	175.2	0	0	0	0	0	111.6	G473 L474 K480 L481 Q499 V502 A503	G473-A477 VanDerWaalsContact O-CB 3.26Å; G473-A477 WeakPolarHBondContact O-CB 3.35Å; G473-A477 PolarHBondContact O-N 2.88Å; L474-A477 PolarHBondContact O-N 2.71Å; A477-K480 PolarHBondContact O-N 3.33Å; A477-L481 WeakPolarHBondContact O-CG 3.37Å; A477-L481 PolarHBondContact O-N 3.46Å; A477-Q499 HydrophobicContact CB-CG 4.31Å; A477-V502 HydrophobicContact CB-CB 4.09Å; A477-V502 HydrophobicContact CB-CG1 3.8Å; A477-A503 HydrophobicContact CB-CB 3.77Å
478	K	95.6	Very high	93.8	Very high	88 Å²	88	61.6 Å²	61.6	38%	0.383	29%	0.289	S	S	.	.	H	α-helix	trans	-58.2	-52.8	174	176.3	169.4	177.7	173.8	0	111.8	L474 R476 K480 L481 E482 F495 Q499	L474-K478 WeakPolarHBondContact O-CB 3.43Å; L474-K478 PolarHBondContact O-N 3.06Å; R476-K478 VanDerWaalsContact C-N 3.31Å; R476-K478 PolarHBondContact O-N 3.28Å; K478-K480 PolarHBondContact O-N 3.06Å; K478-L481 PolarHBondContact O-N 3.04Å; K478-L481 VanDerWaalsContact O-N 3.09Å; K478-E482 WeakPolarHBondContact CE-OE1 3.4Å; K478-E482 HydrophobicContact CG-CG 4.38Å; K478-E482 IonicContact NZ-OE1 3.06Å; K478-E482 WeakPolarHBondContact O-CG 3.46Å; K478-E482 PolarHBondContact O-N 2.91Å; K478-F495 HydrophobicContact CG-CE1 4.13Å; K478-F495 HydrophobicContact CG-CZ 4.24Å; K478-Q499 HydrophobicContact CB-CG 4.14Å
479	A	94.6	Very high	93.6	Very high	49 Å²	49	62.2 Å²	62.2	41%	0.405	30%	0.295	S	S	.	.	H	α-helix	trans	-56.8	-38.8	179.1	0	0	0	0	0	112	R475 R476 E482 E483	R475-A479 PolarHBondContact O-N 3.17Å; R476-A479 PolarHBondContact O-N 2.77Å; A479-E482 PolarHBondContact O-N 3.48Å; A479-E483 WeakPolarHBondContact O-CB 3.41Å; A479-E483 PolarHBondContact O-N 2.92Å
480	K	91.9	Very high	93.5	Very high	52 Å²	52	62.6 Å²	62.6	23%	0.226	30%	0.297	C	S	.	.	H	α-helix	trans	-70.3	-34.4	178.7	-166.3	54.7	168.3	179.8	0	113.3	R476 A477 K478 E483 K484	R476-K480 PolarHBondContact O-N 2.94Å; A477-K480 PolarHBondContact O-N 3.33Å; K478-K480 PolarHBondContact O-N 3.06Å; K480-E483 WeakPolarHBondContact CD-OE2 3.05Å; K480-E483 VanDerWaalsContact NZ-CD 3.33Å; K480-E483 IonicContact NZ-OE1 3.84Å; K480-E483 PolarHBondContact NZ-OE1 3.01Å; K480-E483 IonicContact NZ-OE2 3.69Å; K480-E483 PolarHBondContact NZ-OE2 3Å; K480-K484 PolarHBondContact O-N 3.26Å
481	L	92.7	Very high	93.3	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-70.6	-41.1	174.8	-71.8	170	0	0	0	111.5	A477 K478 K484 E485 R486 F495 A498 Q499 M663	A477-L481 WeakPolarHBondContact O-CG 3.37Å; A477-L481 PolarHBondContact O-N 3.46Å; K478-L481 PolarHBondContact O-N 3.04Å; K478-L481 VanDerWaalsContact O-N 3.09Å; L481-K484 CarbonylContact O-C 3.6Å; L481-K484 PolarHBondContact O-N 3.35Å; L481-E485 PolarHBondContact O-N 3.08Å; L481-R486 HydrophobicContact CB-CB 4.23Å; L481-R486 HydrophobicContact CD2-CB 4.27Å; L481-R486 HydrophobicContact CD2-CG 4.07Å; L481-R486 WeakPolarHBondContact O-CB 3.39Å; L481-R486 WeakPolarHBondContact O-CG 3.42Å; L481-R486 PolarHBondContact O-N 2.95Å; L481-F495 HydrophobicContact CB-CE2 3.77Å; L481-F495 HydrophobicContact CB-CZ 3.95Å; L481-A498 HydrophobicContact CD1-CB 4.05Å; L481-Q499 HydrophobicContact CD1-CB 4.05Å; L481-M663 HydrophobicContact CD2-CE 4.44Å
482	E	94.9	Very high	93.2	Very high	84 Å²	84	69.5 Å²	69.5	39%	0.393	33%	0.334	S	S	.	.	H	α-helix	trans	-66.2	-39.7	174.9	-68.8	171.4	160	0	0	112	K478 A479 K484 E485 D487 F495	K478-E482 WeakPolarHBondContact CE-OE1 3.4Å; K478-E482 HydrophobicContact CG-CG 4.38Å; K478-E482 IonicContact NZ-OE1 3.06Å; K478-E482 WeakPolarHBondContact O-CG 3.46Å; K478-E482 PolarHBondContact O-N 2.91Å; A479-E482 PolarHBondContact O-N 3.48Å; E482-K484 PolarHBondContact O-N 3.47Å; E482-E485 WeakPolarHBondContact O-CA 3.37Å; E482-E485 PolarHBondContact O-N 3.11Å; E482-D487 HydrophobicContact CG-CB 4.48Å; E482-F495 HydrophobicContact CG-CE2 4.49Å; E482-F495 HydrophobicContact CG-CZ 3.95Å
483	E	92.7	Very high	93.2	Very high	131 Å²	131	74.7 Å²	74.7	61%	0.612	36%	0.359	S	S	*	.	H	α-helix	trans	-56.5	-33.5	173.1	-175.2	-163.7	142.1	0	0	111.7	A479 K480 E485	A479-E483 WeakPolarHBondContact O-CB 3.41Å; A479-E483 PolarHBondContact O-N 2.92Å; K480-E483 WeakPolarHBondContact CD-OE2 3.05Å; K480-E483 VanDerWaalsContact NZ-CD 3.33Å; K480-E483 IonicContact NZ-OE1 3.84Å; K480-E483 PolarHBondContact NZ-OE1 3.01Å; K480-E483 IonicContact NZ-OE2 3.69Å; K480-E483 PolarHBondContact NZ-OE2 3Å; E483-E485 VanDerWaalsContact C-N 3.31Å
484	K	89.6	Confident	93.1	Very high	60 Å²	60	77.2 Å²	77.2	26%	0.261	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	13	176.4	-71.5	-178	167.4	-166.2	0	113.4	K480 L481 E482 R486 D530 Y540	K480-K484 PolarHBondContact O-N 3.26Å; L481-K484 CarbonylContact O-C 3.6Å; L481-K484 PolarHBondContact O-N 3.35Å; E482-K484 PolarHBondContact O-N 3.47Å; K484-R486 HydrophobicContact CB-CG 4.03Å; K484-R486 WeakPolarHBondContact O-CD 3.42Å; K484-R486 PolarHBondContact O-N 2.94Å; K484-R486 VanDerWaalsContact O-N 3.16Å; K484-D530 VanDerWaalsContact CE-OD2 3.31Å; K484-D530 WeakPolarHBondContact CE-OD2 3.46Å; K484-D530 IonicContact NZ-OD2 2.7Å; K484-D530 PolarHBondContact NZ-OD2 3.32Å; K484-Y540 HydrophobicContact CD-CE1 4.27Å; K484-Y540 HydrophobicContact CD-CE2 4.43Å; K484-Y540 VanDerWaalsContact CD-OH 3.23Å; K484-Y540 WeakPolarHBondContact CD-OH 3.42Å; K484-Y540 VanDerWaalsContact NZ-CE2 3.27Å
485	E	92.7	Very high	93	Very high	108 Å²	108	77 Å²	77	51%	0.505	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	29.1	178.1	-52.1	-168.8	119.8	0	0	113.8	L481 E482 E483 D487 K488	L481-E485 PolarHBondContact O-N 3.08Å; E482-E485 WeakPolarHBondContact O-CA 3.37Å; E482-E485 PolarHBondContact O-N 3.11Å; E483-E485 VanDerWaalsContact C-N 3.31Å; E485-D487 VanDerWaalsContact C-N 3.29Å; E485-D487 WeakPolarHBondContact CA-OD1 3.06Å; E485-D487 PolarHBondContact O-N 3.31Å; E485-K488 HydrophobicContact CB-CD 4.04Å; E485-K488 HydrophobicContact CB-CG 4.33Å; E485-K488 WeakPolarHBondContact O-CB 3.38Å; E485-K488 PolarHBondContact O-N 2.99Å; E485-K488 VanDerWaalsContact O-N 3.14Å; E485-K488 IonicContact OE1-NZ 3.9Å; E485-K488 PolarHBondContact OE1-NZ 3.31Å
486	R	89.9	Confident	92.9	Very high	55 Å²	55	74.7 Å²	74.7	21%	0.208	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-72.4	-25.6	-176.5	-62.1	-44.2	-47.2	-138	-13.4	113.4	L481 K484 K488 V489 L490 F495 M663	L481-R486 HydrophobicContact CB-CB 4.23Å; L481-R486 HydrophobicContact CD2-CB 4.27Å; L481-R486 HydrophobicContact CD2-CG 4.07Å; L481-R486 WeakPolarHBondContact O-CB 3.39Å; L481-R486 WeakPolarHBondContact O-CG 3.42Å; L481-R486 PolarHBondContact O-N 2.95Å; K484-R486 HydrophobicContact CB-CG 4.03Å; K484-R486 WeakPolarHBondContact O-CD 3.42Å; K484-R486 PolarHBondContact O-N 2.94Å; K484-R486 VanDerWaalsContact O-N 3.16Å; R486-K488 PolarHBondContact O-N 3.35Å; R486-V489 VanDerWaalsContact CZ-CG2 3.42Å; R486-V489 VanDerWaalsContact NE-CG2 3.25Å; R486-V489 PolarHBondContact O-N 2.85Å; R486-L490 HydrophobicContact CB-CD1 4.18Å; R486-L490 WeakPolarHBondContact O-CB 3.36Å; R486-L490 WeakPolarHBondContact O-CG 3.42Å; R486-L490 PolarHBondContact O-N 2.87Å; R486-F495 HydrophobicContact CB-CE2 4.43Å; R486-M663 WeakPolarHBondContact CD-OXT 3.44Å; R486-M663 WeakPolarHBondContact CG-OXT 3.45Å; R486-M663 PolarHBondContact NE-OXT 2.94Å; R486-M663 PolarHBondContact NH1-O 2.77Å; R486-M663 PolarHBondContact NH1-OXT 3.25Å; R486-M663 PolarHBondContact NH2-O 2.74Å; R486-M663 PolarHBondContact NH2-OXT 2.92Å
487	D	90.6	Very high	92.9	Very high	74 Å²	74	73.9 Å²	73.9	40%	0.396	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-59.2	-22.3	169.2	60.7	-54.3	0	0	0	113	E482 E485 F495	E482-D487 HydrophobicContact CG-CB 4.48Å; E485-D487 VanDerWaalsContact C-N 3.29Å; E485-D487 WeakPolarHBondContact CA-OD1 3.06Å; E485-D487 PolarHBondContact O-N 3.31Å; D487-F495 HydrophobicContact CB-CD2 4.09Å; D487-F495 HydrophobicContact CB-CE2 3.75Å; D487-F495 HydrophobicContact CB-CZ 4.38Å
488	K	92.1	Very high	92.8	Very high	136 Å²	136	73.9 Å²	73.9	59%	0.591	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-86.8	-16	180	-54.9	-173.1	-172.8	173.9	0	114.2	E485 R486	E485-K488 HydrophobicContact CB-CD 4.04Å; E485-K488 HydrophobicContact CB-CG 4.33Å; E485-K488 WeakPolarHBondContact O-CB 3.38Å; E485-K488 PolarHBondContact O-N 2.99Å; E485-K488 VanDerWaalsContact O-N 3.14Å; E485-K488 IonicContact OE1-NZ 3.9Å; E485-K488 PolarHBondContact OE1-NZ 3.31Å; R486-K488 PolarHBondContact O-N 3.35Å
489	V	89.3	Confident	92.8	Very high	94 Å²	94	71.2 Å²	71.2	57%	0.57	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-16.3	-173.1	-63.2	0	0	0	0	113.7	R486	R486-V489 VanDerWaalsContact CZ-CG2 3.42Å; R486-V489 VanDerWaalsContact NE-CG2 3.25Å; R486-V489 PolarHBondContact O-N 2.85Å
490	L	91.3	Very high	92.9	Very high	12 Å²	12	72.1 Å²	72.1	6%	0.063	35%	0.354	C	S	.	.	S	Bend	trans	-102	144.4	174.1	-59.7	179.8	0	0	0	109	R486 E494 F495 A498 K662	R486-L490 HydrophobicContact CB-CD1 4.18Å; R486-L490 WeakPolarHBondContact O-CB 3.36Å; R486-L490 WeakPolarHBondContact O-CG 3.42Å; R486-L490 PolarHBondContact O-N 2.87Å; L490-E494 HydrophobicContact CB-CB 3.92Å; L490-E494 HydrophobicContact CD2-CB 4.16Å; L490-E494 HydrophobicContact CG-CB 4.45Å; L490-F495 HydrophobicContact CB-CB 4.19Å; L490-F495 HydrophobicContact CD1-CD2 4.48Å; L490-A498 HydrophobicContact CD1-CB 4.11Å; L490-K662 HydrophobicContact CD2-CB 3.72Å; L490-K662 HydrophobicContact CD2-CD 4.35Å
491	N	94.1	Very high	93.1	Very high	82 Å²	82	69.8 Å²	69.8	44%	0.439	35%	0.345	S	S	.	.			trans	-74.3	171.1	165.7	67.4	46	0	0	0	111	E493 E494 F495	N491-E493 VanDerWaalsContact C-N 3.32Å; N491-E493 PolarHBondContact O-N 3.31Å; N491-E493 PolarHBondContact OD1-N 2.84Å; N491-E493 VanDerWaalsContact OD1-N 3.16Å; N491-E494 PolarHBondContact N-OE2 3.49Å; N491-E494 VanDerWaalsContact N-OE2 3.16Å; N491-E494 PolarHBondContact ND2-OE2 2.94Å; N491-E494 PolarHBondContact O-N 2.82Å; N491-E494 WeakPolarHBondContact OD1-CB 3.39Å; N491-E494 WeakPolarHBondContact OD1-CG 3.32Å; N491-E494 PolarHBondContact OD1-N 3.42Å; N491-F495 WeakPolarHBondContact O-CB 3.46Å; N491-F495 PolarHBondContact O-N 3.32Å
492	D	93.7	Very high	93.2	Very high	145 Å²	145	70 Å²	70	78%	0.775	35%	0.346	S	S	*	.	H	α-helix	trans	-56.5	-41.7	-175.5	-66.6	-18.9	0	0	0	113.3	F495 E496	D492-F495 PolarHBondContact O-N 3.42Å; D492-E496 WeakPolarHBondContact O-CB 3.19Å; D492-E496 PolarHBondContact O-N 2.92Å
493	E	94.1	Very high	93.2	Very high	158 Å²	158	66 Å²	66	74%	0.738	33%	0.328	S	S	*	.	H	α-helix	trans	-68.4	-44.2	179	-64.3	-178.2	175.6	0	0	111.9	N491 F495 E496 A497	N491-E493 VanDerWaalsContact C-N 3.32Å; N491-E493 PolarHBondContact O-N 3.31Å; N491-E493 PolarHBondContact OD1-N 2.84Å; N491-E493 VanDerWaalsContact OD1-N 3.16Å; E493-F495 VanDerWaalsContact C-N 3.32Å; E493-E496 PolarHBondContact O-N 3.4Å; E493-A497 WeakPolarHBondContact O-CB 3.31Å; E493-A497 PolarHBondContact O-N 2.89Å
494	E	93.2	Very high	93.4	Very high	54 Å²	54	60.7 Å²	60.7	25%	0.252	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-40.1	175.6	-73.2	176.7	148	0	0	111	L490 N491 A497 A498 K662	L490-E494 HydrophobicContact CB-CB 3.92Å; L490-E494 HydrophobicContact CD2-CB 4.16Å; L490-E494 HydrophobicContact CG-CB 4.45Å; N491-E494 PolarHBondContact N-OE2 3.49Å; N491-E494 VanDerWaalsContact N-OE2 3.16Å; N491-E494 PolarHBondContact ND2-OE2 2.94Å; N491-E494 PolarHBondContact O-N 2.82Å; N491-E494 WeakPolarHBondContact OD1-CB 3.39Å; N491-E494 WeakPolarHBondContact OD1-CG 3.32Å; N491-E494 PolarHBondContact OD1-N 3.42Å; E494-A497 PolarHBondContact O-N 2.84Å; E494-A498 WeakPolarHBondContact O-CB 3.34Å; E494-A498 PolarHBondContact O-N 2.94Å; E494-K662 IonicContact OE1-NZ 3.31Å; E494-K662 PolarHBondContact OE1-NZ 2.78Å; E494-K662 IonicContact OE2-NZ 3.95Å
495	F	94.9	Very high	93.7	Very high	26 Å²	26	58 Å²	58	11%	0.114	29%	0.291	C	S	.	.	H	α-helix	trans	-67.4	-44.7	178.4	-172.6	-89.5	0	0	0	111.6	K478 L481 E482 R486 D487 L490 N491 D492 E493 A498 Q499	K478-F495 HydrophobicContact CG-CE1 4.13Å; K478-F495 HydrophobicContact CG-CZ 4.24Å; L481-F495 HydrophobicContact CB-CE2 3.77Å; L481-F495 HydrophobicContact CB-CZ 3.95Å; E482-F495 HydrophobicContact CG-CE2 4.49Å; E482-F495 HydrophobicContact CG-CZ 3.95Å; R486-F495 HydrophobicContact CB-CE2 4.43Å; D487-F495 HydrophobicContact CB-CD2 4.09Å; D487-F495 HydrophobicContact CB-CE2 3.75Å; D487-F495 HydrophobicContact CB-CZ 4.38Å; L490-F495 HydrophobicContact CB-CB 4.19Å; L490-F495 HydrophobicContact CD1-CD2 4.48Å; N491-F495 WeakPolarHBondContact O-CB 3.46Å; N491-F495 PolarHBondContact O-N 3.32Å; D492-F495 PolarHBondContact O-N 3.42Å; E493-F495 VanDerWaalsContact C-N 3.32Å; F495-A498 PolarHBondContact O-N 2.67Å; F495-Q499 WeakPolarHBondContact O-CB 3.31Å; F495-Q499 PolarHBondContact O-N 2.7Å
496	E	94.7	Very high	93.8	Very high	92 Å²	92	52.9 Å²	52.9	43%	0.43	27%	0.267	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175.4	-172.8	-177.4	178	0	0	111.6	D492 E493 Q499 K500	D492-E496 WeakPolarHBondContact O-CB 3.19Å; D492-E496 PolarHBondContact O-N 2.92Å; E493-E496 PolarHBondContact O-N 3.4Å; E496-Q499 PolarHBondContact O-N 2.78Å; E496-K500 HydrophobicContact CG-CD 4.33Å; E496-K500 WeakPolarHBondContact O-CG 3.36Å; E496-K500 PolarHBondContact O-N 2.89Å; E496-K500 WeakPolarHBondContact OE1-CE 3.14Å; E496-K500 IonicContact OE1-NZ 3.32Å; E496-K500 PolarHBondContact OE1-NZ 3.22Å
497	A	93.8	Very high	94.1	Very high	51 Å²	51	50.3 Å²	50.3	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-45.1	175.4	0	0	0	0	0	111.6	E493 E494 K500 A501	E493-A497 WeakPolarHBondContact O-CB 3.31Å; E493-A497 PolarHBondContact O-N 2.89Å; E494-A497 PolarHBondContact O-N 2.84Å; A497-K500 PolarHBondContact O-N 2.82Å; A497-A501 VanDerWaalsContact O-CB 3.26Å; A497-A501 WeakPolarHBondContact O-CB 3.11Å; A497-A501 PolarHBondContact O-N 3.13Å
498	A	93.7	Very high	94.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-44.9	174.8	0	0	0	0	0	111.9	L481 L490 E494 F495 K500 A501 V502 I660	L481-A498 HydrophobicContact CD1-CB 4.05Å; L490-A498 HydrophobicContact CD1-CB 4.11Å; E494-A498 WeakPolarHBondContact O-CB 3.34Å; E494-A498 PolarHBondContact O-N 2.94Å; F495-A498 PolarHBondContact O-N 2.67Å; A498-K500 PolarHBondContact O-N 2.96Å; A498-A501 PolarHBondContact O-N 2.82Å; A498-V502 WeakPolarHBondContact O-CB 2.92Å; A498-V502 VanDerWaalsContact O-CG2 3.25Å; A498-V502 WeakPolarHBondContact O-CG2 3.5Å; A498-V502 PolarHBondContact O-N 2.76Å; A498-I660 HydrophobicContact CB-CD1 4.07Å
499	Q	95.2	Very high	94.6	Very high	32 Å²	32	40.6 Å²	40.6	15%	0.15	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-49	177.3	-173.4	-165.3	6.5	0	0	111.5	L474 A477 K478 L481 F495 E496 A503	L474-Q499 HydrophobicContact CD2-CG 4.01Å; L474-Q499 PolarHBondContact O-NE2 2.97Å; A477-Q499 HydrophobicContact CB-CG 4.31Å; K478-Q499 HydrophobicContact CB-CG 4.14Å; L481-Q499 HydrophobicContact CD1-CB 4.05Å; F495-Q499 WeakPolarHBondContact O-CB 3.31Å; F495-Q499 PolarHBondContact O-N 2.7Å; E496-Q499 PolarHBondContact O-N 2.78Å; Q499-A503 WeakPolarHBondContact O-CB 3.3Å; Q499-A503 PolarHBondContact O-N 2.81Å
500	K	95.7	Very high	94.8	Very high	67 Å²	67	36.8 Å²	36.8	29%	0.291	19%	0.191	S	C	.	.	H	α-helix	trans	-65.8	-43.3	179.4	-71.6	176.4	-176.2	169.7	0	112	L474 E496 A497 A498 Y504	L474-K500 HydrophobicContact CD2-CG 4.06Å; E496-K500 HydrophobicContact CG-CD 4.33Å; E496-K500 WeakPolarHBondContact O-CG 3.36Å; E496-K500 PolarHBondContact O-N 2.89Å; E496-K500 WeakPolarHBondContact OE1-CE 3.14Å; E496-K500 IonicContact OE1-NZ 3.32Å; E496-K500 PolarHBondContact OE1-NZ 3.22Å; A497-K500 PolarHBondContact O-N 2.82Å; A498-K500 PolarHBondContact O-N 2.96Å; K500-Y504 HydrophobicContact CB-CD2 4.16Å; K500-Y504 HydrophobicContact CB-CE2 4.11Å; K500-Y504 HydrophobicContact CG-CE2 4.07Å; K500-Y504 WeakPolarHBondContact O-CB 3.41Å; K500-Y504 WeakPolarHBondContact O-CD2 3.36Å; K500-Y504 PolarHBondContact O-N 2.71Å
501	A	95.6	Very high	94.9	Very high	3 Å²	3	36.3 Å²	36.3	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-46	177.4	0	0	0	0	0	111.6	A497 A498 G505 R658 I660	A497-A501 VanDerWaalsContact O-CB 3.26Å; A497-A501 WeakPolarHBondContact O-CB 3.11Å; A497-A501 PolarHBondContact O-N 3.13Å; A498-A501 PolarHBondContact O-N 2.82Å; A501-G505 WeakPolarHBondContact O-CA 3.27Å; A501-G505 PolarHBondContact O-N 2.94Å; A501-R658 HydrophobicContact CB-CB 4.33Å; A501-R658 WeakPolarHBondContact CB-O 3.49Å; A501-I660 HydrophobicContact CB-CG2 3.74Å
502	V	94.6	Very high	95.1	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.03	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-53.4	177	174.3	0	0	0	0	111.2	A477 A498 C506 L528 L539 M663	A477-V502 HydrophobicContact CB-CB 4.09Å; A477-V502 HydrophobicContact CB-CG1 3.8Å; A498-V502 WeakPolarHBondContact O-CB 2.92Å; A498-V502 VanDerWaalsContact O-CG2 3.25Å; A498-V502 WeakPolarHBondContact O-CG2 3.5Å; A498-V502 PolarHBondContact O-N 2.76Å; V502-C506 VanDerWaalsContact O-CB 3.22Å; V502-C506 WeakPolarHBondContact O-CB 3.05Å; V502-C506 PolarHBondContact O-N 3.04Å; V502-C506 PolarHBondContact O-SG 3.5Å; V502-L528 HydrophobicContact CG1-CD2 3.78Å; V502-L539 HydrophobicContact CG2-CD1 4.25Å; V502-M663 HydrophobicContact CB-CE 4.5Å; V502-M663 HydrophobicContact CG2-CE 3.02Å
503	A	95.3	Very high	95.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-58.2	-174.8	0	0	0	0	0	111.4	L474 A477 Q499 I507	L474-A503 HydrophobicContact CD2-CB 3.84Å; L474-A503 HydrophobicContact CG-CB 4.24Å; A477-A503 HydrophobicContact CB-CB 3.77Å; Q499-A503 WeakPolarHBondContact O-CB 3.3Å; Q499-A503 PolarHBondContact O-N 2.81Å; A503-I507 WeakPolarHBondContact O-CD1 3.49Å; A503-I507 VanDerWaalsContact O-CG1 3.29Å; A503-I507 WeakPolarHBondContact O-CG1 3.28Å; A503-I507 PolarHBondContact O-N 3.41Å
504	Y	96.6	Very high	95.2	Very high	20 Å²	20	23 Å²	23	8%	0.078	12%	0.12	C	C	.	.	H	α-helix	trans	-77.2	-34.8	-174.8	-53.2	-36.4	0	0	0	111.8	R329 L470 L474 K500 I507 K508	R329-Y504 HydrophobicContact CB-CE1 4.45Å; R329-Y504 HydrophobicContact CB-CE2 4.12Å; R329-Y504 PolarHBondContact NE-OH 2.84Å; R329-Y504 PolarHBondContact NH2-OH 2.81Å; R329-Y504 WeakPolarHBondContact O-CD2 3.31Å; R329-Y504 WeakPolarHBondContact O-CE2 3.17Å; L470-Y504 HydrophobicContact CB-CE1 4Å; L470-Y504 HydrophobicContact CD2-CD1 3.78Å; L470-Y504 HydrophobicContact CD2-CE1 3.95Å; L470-Y504 HydrophobicContact CG-CE1 4.47Å; L474-Y504 HydrophobicContact CD1-CE1 4.47Å; L474-Y504 VanDerWaalsContact CD1-OH 3.31Å; L474-Y504 WeakPolarHBondContact CD1-OH 3.4Å; L474-Y504 HydrophobicContact CD2-CE1 4.31Å; L474-Y504 HydrophobicContact CD2-CE2 4.46Å; L474-Y504 HydrophobicContact CG-CE1 4.03Å; K500-Y504 HydrophobicContact CB-CD2 4.16Å; K500-Y504 HydrophobicContact CB-CE2 4.11Å; K500-Y504 HydrophobicContact CG-CE2 4.07Å; K500-Y504 WeakPolarHBondContact O-CB 3.41Å; K500-Y504 WeakPolarHBondContact O-CD2 3.36Å; K500-Y504 PolarHBondContact O-N 2.71Å; Y504-I507 PolarHBondContact O-N 2.82Å; Y504-K508 WeakPolarHBondContact O-CB 3.4Å; Y504-K508 WeakPolarHBondContact O-CG 3.31Å; Y504-K508 PolarHBondContact O-N 3.48Å
505	G	96.3	Very high	95.4	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-44.2	175.2	0	0	0	0	0	112.4	A501 K508 Y509	A501-G505 WeakPolarHBondContact O-CA 3.27Å; A501-G505 PolarHBondContact O-N 2.94Å; G505-K508 PolarHBondContact O-N 2.97Å; G505-Y509 WeakPolarHBondContact O-CB 3.43Å; G505-Y509 PolarHBondContact O-N 3.36Å
506	C	95.5	Very high	95.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-68.6	-36.7	177.6	-61.7	0	0	0	0	112.6	V502 A510 L527 L528 A535 A536	V502-C506 VanDerWaalsContact O-CB 3.22Å; V502-C506 WeakPolarHBondContact O-CB 3.05Å; V502-C506 PolarHBondContact O-N 3.04Å; V502-C506 PolarHBondContact O-SG 3.5Å; C506-A510 VanDerWaalsContact O-CB 3.22Å; C506-A510 WeakPolarHBondContact O-CB 3.4Å; C506-A510 PolarHBondContact O-N 3.5Å; C506-L527 HydrophobicContact CB-CB 4.36Å; C506-L527 HydrophobicContact CB-CD1 3.33Å; C506-L527 HydrophobicContact CB-CG 4.42Å; C506-L527 PolarHBondContact SG-O 2.87Å; C506-L528 HydrophobicContact CB-CD2 4.3Å; C506-A535 HydrophobicContact CB-CB 4.45Å; C506-A536 PolarHBondContact SG-N 2.9Å
507	I	95.4	Very high	95.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.1	-46.5	174.5	-69.6	164	0	0	0	111	L216 L469 L470 A503 Y504 F522 F524	L216-I507 HydrophobicContact CD1-CG2 4.1Å; L216-I507 HydrophobicContact CD2-CG2 3.81Å; L469-I507 HydrophobicContact CD2-CD1 3.67Å; L469-I507 HydrophobicContact CD2-CG1 4.13Å; L469-I507 HydrophobicContact CD2-CG2 3.91Å; L470-I507 HydrophobicContact CD2-CD1 3.93Å; A503-I507 WeakPolarHBondContact O-CD1 3.49Å; A503-I507 VanDerWaalsContact O-CG1 3.29Å; A503-I507 WeakPolarHBondContact O-CG1 3.28Å; A503-I507 PolarHBondContact O-N 3.41Å; Y504-I507 PolarHBondContact O-N 2.82Å; I507-F522 HydrophobicContact CG1-CZ 4.38Å; I507-F524 HydrophobicContact CD1-CE1 4.4Å; I507-F524 HydrophobicContact CG1-CE1 4.43Å
508	K	96.8	Very high	95.6	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.013	13%	0.127	C	C	.	.	H	α-helix	trans	-61.4	-51	176.7	-74.3	-173.7	175.3	-163.3	0	111.3	I220 D223 L330 Y504 G505 A510 D511 L512 G656 I657	I220-K508 HydrophobicContact CB-CG 4.35Å; I220-K508 HydrophobicContact CG2-CG 3.9Å; D223-K508 IonicContact OD2-NZ 2.75Å; D223-K508 PolarHBondContact OD2-NZ 3.27Å; L330-K508 WeakPolarHBondContact O-CE 3.34Å; L330-K508 PolarHBondContact O-NZ 3.49Å; Y504-K508 WeakPolarHBondContact O-CB 3.4Å; Y504-K508 WeakPolarHBondContact O-CG 3.31Å; Y504-K508 PolarHBondContact O-N 3.48Å; G505-K508 PolarHBondContact O-N 2.97Å; K508-A510 VanDerWaalsContact C-N 3.32Å; K508-A510 PolarHBondContact O-N 2.72Å; K508-D511 PolarHBondContact O-N 2.88Å; K508-L512 HydrophobicContact CB-CD1 4.37Å; K508-L512 VanDerWaalsContact O-CG 3.27Å; K508-L512 WeakPolarHBondContact O-CG 3.29Å; K508-L512 PolarHBondContact O-N 3.16Å; K508-G656 VanDerWaalsContact CD-O 3.26Å; K508-G656 WeakPolarHBondContact CD-O 3.38Å; K508-G656 WeakPolarHBondContact CE-O 3.13Å; K508-G656 PolarHBondContact NZ-O 2.97Å; K508-I657 HydrophobicContact CB-CG1 4.38Å
509	Y	96.6	Very high	95.7	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-64.1	-36.9	-176.6	-165.6	-88.2	0	0	0	112.7	G505 D511 L512 S513 N533 A535 L538 C602 L655 I657	G505-Y509 WeakPolarHBondContact O-CB 3.43Å; G505-Y509 PolarHBondContact O-N 3.36Å; Y509-D511 PolarHBondContact O-N 3.21Å; Y509-L512 PolarHBondContact O-N 3.42Å; Y509-S513 WeakPolarHBondContact O-CB 3.28Å; Y509-S513 PolarHBondContact O-N 3.32Å; Y509-S513 PolarHBondContact O-OG 3.26Å; Y509-N533 WeakPolarHBondContact CE1-O 3.49Å; Y509-N533 WeakPolarHBondContact CE1-OD1 3.49Å; Y509-N533 PolarHBondContact OH-OD1 3.26Å; Y509-A535 HydrophobicContact CD1-CB 4.32Å; Y509-A535 HydrophobicContact CD2-CB 4.18Å; Y509-A535 HydrophobicContact CG-CB 3.77Å; Y509-L538 HydrophobicContact CD2-CD1 4.46Å; Y509-L538 HydrophobicContact CE2-CD1 3.51Å; Y509-L538 VanDerWaalsContact OH-CD1 3.32Å; Y509-L538 WeakPolarHBondContact OH-CD1 3.49Å; Y509-C602 HydrophobicContact CE1-CB 4.46Å; Y509-C602 HydrophobicContact CE2-CB 3.76Å; Y509-C602 VanDerWaalsContact CE2-SG 3.5Å; Y509-C602 WeakPolarHBondContact OH-CB 3.43Å; Y509-C602 PolarHBondContact OH-O 3.04Å; Y509-C602 VanDerWaalsContact OH-O 3.13Å; Y509-L655 HydrophobicContact CD2-CD1 4.17Å; Y509-L655 HydrophobicContact CE2-CD1 4.19Å; Y509-I657 HydrophobicContact CD2-CD1 3.82Å; Y509-I657 HydrophobicContact CG-CD1 4.38Å
510	A	93.7	Very high	95.5	Very high	15 Å²	15	27.3 Å²	27.3	12%	0.124	14%	0.143	C	C	.	.	H	α-helix	trans	-56.4	-37.8	178.2	0	0	0	0	0	112.2	C506 K508 S513 H514 L527	C506-A510 VanDerWaalsContact O-CB 3.22Å; C506-A510 WeakPolarHBondContact O-CB 3.4Å; C506-A510 PolarHBondContact O-N 3.5Å; K508-A510 VanDerWaalsContact C-N 3.32Å; K508-A510 PolarHBondContact O-N 2.72Å; A510-S513 PolarHBondContact O-OG 2.96Å; A510-H514 PolarHBondContact O-CE1 3.36Å; A510-H514 VanDerWaalsContact O-CE1 3.25Å; A510-H514 PolarHBondContact O-ND1 2.59Å; A510-L527 HydrophobicContact CB-CB 4.22Å; A510-L527 HydrophobicContact CB-CD2 4.49Å
511	D	94.4	Very high	95.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-79.2	-49.8	173.2	-170.1	31.1	0	0	0	112	R217 I220 K508 Y509 S513 H514 Y520	R217-D511 WeakPolarHBondContact CA-OD2 3.18Å; R217-D511 WeakPolarHBondContact CB-OD2 3.44Å; R217-D511 WeakPolarHBondContact CG-OD2 3.34Å; R217-D511 IonicContact CZ-OD1 2.66Å; R217-D511 IonicContact NE-OD1 3.83Å; R217-D511 PolarHBondContact NE-OD1 3.09Å; R217-D511 IonicContact NE-OD2 2.81Å; R217-D511 PolarHBondContact NE-OD2 3.21Å; R217-D511 IonicContact NH2-OD1 3.21Å; R217-D511 PolarHBondContact NH2-OD1 3.41Å; I220-D511 HydrophobicContact CD1-CB 3.43Å; I220-D511 VanDerWaalsContact CD1-CB 3.43Å; I220-D511 WeakPolarHBondContact CD1-OD2 3.41Å; I220-D511 HydrophobicContact CG1-CB 4.41Å; K508-D511 PolarHBondContact O-N 2.88Å; Y509-D511 PolarHBondContact O-N 3.21Å; D511-S513 VanDerWaalsContact C-N 3.27Å; D511-S513 PolarHBondContact O-N 3.38Å; D511-H514 PolarHBondContact O-N 3Å; D511-H514 VanDerWaalsContact O-N 3.16Å; D511-Y520 HydrophobicContact CB-CE1 3.99Å; D511-Y520 WeakPolarHBondContact OD1-CE1 3.36Å
512	L	97.4	Very high	95.2	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-66.5	-24.6	-171.7	-64.5	173.7	0	0	0	114.1	I220 I221 C224 K508 Y509 H514 P598 N599 L655	I220-L512 HydrophobicContact CG1-CD2 4.48Å; I221-L512 HydrophobicContact CG1-CD2 4.07Å; C224-L512 HydrophobicContact CB-CD1 4.25Å; C224-L512 HydrophobicContact CB-CD2 4.11Å; K508-L512 HydrophobicContact CB-CD1 4.37Å; K508-L512 VanDerWaalsContact O-CG 3.27Å; K508-L512 WeakPolarHBondContact O-CG 3.29Å; K508-L512 PolarHBondContact O-N 3.16Å; Y509-L512 PolarHBondContact O-N 3.42Å; L512-H514 VanDerWaalsContact C-N 3.25Å; L512-H514 PolarHBondContact O-N 3.39Å; L512-P598 HydrophobicContact CB-CB 4.21Å; L512-P598 HydrophobicContact CD2-CB 3.84Å; L512-P598 HydrophobicContact CD2-CG 3.88Å; L512-P598 CarbonylContact O-C 3.42Å; L512-N599 WeakPolarHBondContact O-CA 3.49Å; L512-N599 VanDerWaalsContact O-CB 3.3Å; L512-N599 WeakPolarHBondContact O-CB 3.49Å; L512-N599 PolarHBondContact O-N 3.41Å; L512-L655 HydrophobicContact CB-CD2 4.22Å; L512-L655 HydrophobicContact CD1-CB 4.23Å; L512-L655 HydrophobicContact CD1-CD2 3.86Å
513	S	96.3	Very high	95	Very high	17 Å²	17	27 Å²	27	12%	0.119	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.8	177.6	55.8	0	0	0	0	114.3	Y509 A510 D511	Y509-S513 WeakPolarHBondContact O-CB 3.28Å; Y509-S513 PolarHBondContact O-N 3.32Å; Y509-S513 PolarHBondContact O-OG 3.26Å; A510-S513 PolarHBondContact O-OG 2.96Å; D511-S513 VanDerWaalsContact C-N 3.27Å; D511-S513 PolarHBondContact O-N 3.38Å
514	H	94.2	Very high	94.6	Very high	87 Å²	87	28 Å²	28	40%	0.403	15%	0.15	S	C	.	.	S	Bend	trans	-102.9	154.5	174.4	-61.2	85	0	0	0	110.3	A510 D511 L512 R516	A510-H514 PolarHBondContact O-CE1 3.36Å; A510-H514 VanDerWaalsContact O-CE1 3.25Å; A510-H514 PolarHBondContact O-ND1 2.59Å; D511-H514 PolarHBondContact O-N 3Å; D511-H514 VanDerWaalsContact O-N 3.16Å; L512-H514 VanDerWaalsContact C-N 3.25Å; L512-H514 PolarHBondContact O-N 3.39Å; H514-R516 PolarHBondContact O-N 2.66Å
515	N	96.6	Very high	94	Very high	58 Å²	58	32.3 Å²	32.3	31%	0.31	18%	0.175	S	C	.	.			trans	-60.3	116.6	167.7	-175.4	-39	0	0	0	108.9	V517 N518	N515-V517 PolarHBondContact O-N 3.09Å; N515-V517 WeakPolarHBondContact OD1-CB 3.26Å; N515-V517 PolarHBondContact OD1-N 2.83Å; N515-V517 VanDerWaalsContact OD1-N 3.08Å; N515-N518 PolarHBondContact O-N 3.23Å
516	R	96.5	Very high	93.6	Very high	28 Å²	28	38.9 Å²	38.9	11%	0.106	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.9	-173.4	71.7	-178.3	-168.8	-97.1	-4.7	114.1	R217 I221 P444 F445 G446 H514 N518 T595 L596 L597	R217-R516 PolarHBondContact NH2-O 2.84Å; I221-R516 HydrophobicContact CD1-CB 3.91Å; P444-R516 PolarHBondContact O-NE 2.64Å; F445-R516 CarbonylContact C-O 3.5Å; F445-R516 WeakPolarHBondContact CA-O 3.33Å; F445-R516 HydrophobicContact CB-CB 4.24Å; F445-R516 WeakPolarHBondContact CB-O 3.39Å; G446-R516 PolarHBondContact N-O 2.91Å; H514-R516 PolarHBondContact O-N 2.66Å; R516-N518 PolarHBondContact O-N 3.07Å; R516-T595 PolarHBondContact NH1-O 3.39Å; R516-L596 PolarHBondContact NH1-O 3.19Å; R516-L597 HydrophobicContact CG-CD2 3.99Å; R516-L597 VanDerWaalsContact NH1-CG 3.3Å
517	V	95.9	Very high	93.2	Very high	72 Å²	72	39.5 Å²	39.5	44%	0.436	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-29.4	-177.5	179.1	0	0	0	0	111	G446 N515	G446-V517 PolarHBondContact N-O 3.26Å; N515-V517 PolarHBondContact O-N 3.09Å; N515-V517 WeakPolarHBondContact OD1-CB 3.26Å; N515-V517 PolarHBondContact OD1-N 2.83Å; N515-V517 VanDerWaalsContact OD1-N 3.08Å
518	N	95.4	Very high	92.6	Very high	95 Å²	95	40.3 Å²	40.3	51%	0.508	21%	0.21	S	C	.	.	S	Bend	trans	-83.9	155.3	-179	-60.8	-25	0	0	0	111.6	R217 N515 R516	R217-N518 PolarHBondContact NH1-O 2.87Å; R217-N518 PolarHBondContact NH2-O 2.98Å; N515-N518 PolarHBondContact O-N 3.23Å; R516-N518 PolarHBondContact O-N 3.07Å
519	D	95.1	Very high	92	Very high	84 Å²	84	43.4 Å²	43.4	45%	0.449	23%	0.227	S	C	.	.			trans	-69.2	150	162.8	-61.7	-10.2	0	0	0	109.8	G446 L447 L449	G446-D519 WeakPolarHBondContact CA-OD1 3.47Å; L447-D519 PolarHBondContact N-OD1 2.87Å; L447-D519 VanDerWaalsContact O-CA 3.28Å; L447-D519 WeakPolarHBondContact O-CA 3.3Å; L449-D519 HydrophobicContact CD1-CB 3.79Å; L449-D519 HydrophobicContact CG-CB 4.04Å
520	Y	92.8	Very high	91.1	Very high	7 Å²	7	45.8 Å²	45.8	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	155.4	172.4	83.4	-84.7	0	0	0	111.7	L447 V448 L449 D511 F522	L447-Y520 PolarHBondContact O-N 3.49Å; L447-Y520 VanDerWaalsContact O-N 3.16Å; V448-Y520 HydrophobicContact CB-CE1 4.37Å; V448-Y520 HydrophobicContact CG1-CE1 4.23Å; V448-Y520 HydrophobicContact CG1-CE2 4.41Å; V448-Y520 HydrophobicContact CG2-CE1 3.79Å; L449-Y520 WeakPolarHBondContact CB-O 3.22Å; L449-Y520 PolarHBondContact N-O 3.34Å; D511-Y520 HydrophobicContact CB-CE1 3.99Å; D511-Y520 WeakPolarHBondContact OD1-CE1 3.36Å; Y520-F522 HydrophobicContact CE2-CB 4.04Å; Y520-F522 HydrophobicContact CE2-CD2 4.08Å
521	V	93	Very high	90.5	Very high	54 Å²	54	54.1 Å²	54.1	33%	0.327	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.6	178.4	173.7	0	0	0	0	109.6	L449 G450 E451 K453	L449-V521 HydrophobicContact CB-CG2 4.14Å; L449-V521 WeakPolarHBondContact O-CA 3.1Å; G450-V521 WeakPolarHBondContact O-CG1 3.45Å; E451-V521 HydrophobicContact CG-CG1 4.38Å; K453-V521 HydrophobicContact CG-CG2 4.45Å
522	F	91.8	Very high	90.1	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.018	29%	0.286	C	S	.	.			trans	-81.4	127	175.6	-172.5	-84.7	0	0	0	110.4	V448 L449 F456 L469 I507 Y520 F524 L527	V448-F522 HydrophobicContact CG1-CB 3.67Å; V448-F522 HydrophobicContact CG1-CG 4.44Å; L449-F522 PolarHBondContact O-N 2.95Å; F456-F522 HydrophobicContact CD1-CB 4.28Å; F456-F522 HydrophobicContact CD1-CD1 4.44Å; F456-F522 HydrophobicContact CD1-CG 4.46Å; F456-F522 HydrophobicContact CE1-CB 4.16Å; F456-F522 AromaticContact CE1-CD1 3.54Å; F456-F522 HydrophobicContact CE1-CD1 3.54Å; F456-F522 HydrophobicContact CE1-CE1 4.15Å; F456-F522 AromaticContact CE1-CG 3.95Å; F456-F522 HydrophobicContact CE1-CG 3.95Å; F456-F522 HydrophobicContact CE2-CD1 4.49Å; F456-F522 HydrophobicContact CZ-CB 4.48Å; F456-F522 AromaticContact CZ-CD1 3.57Å; F456-F522 HydrophobicContact CZ-CD1 3.57Å; F456-F522 HydrophobicContact CZ-CE1 4.22Å; F456-F522 HydrophobicContact CZ-CG 4.32Å; L469-F522 HydrophobicContact CD1-CE1 4.18Å; L469-F522 HydrophobicContact CD1-CE2 4.25Å; L469-F522 HydrophobicContact CD1-CZ 3.94Å; L469-F522 HydrophobicContact CD2-CZ 4.26Å; L469-F522 HydrophobicContact CG-CZ 4.23Å; I507-F522 HydrophobicContact CG1-CZ 4.38Å; Y520-F522 HydrophobicContact CE2-CB 4.04Å; Y520-F522 HydrophobicContact CE2-CD2 4.08Å; F522-F524 HydrophobicContact CE1-CD1 4.24Å; F522-F524 AromaticContact CE1-CD2 3.71Å; F522-F524 HydrophobicContact CE1-CD2 3.71Å; F522-F524 HydrophobicContact CE1-CE1 4.09Å; F522-F524 AromaticContact CE1-CE2 3.56Å; F522-F524 HydrophobicContact CE1-CE2 3.56Å; F522-F524 HydrophobicContact CE1-CG 4.05Å; F522-F524 AromaticContact CE1-CZ 3.75Å; F522-F524 HydrophobicContact CE1-CZ 3.75Å; F522-F524 HydrophobicContact CZ-CD1 4.26Å; F522-F524 HydrophobicContact CZ-CD2 4.45Å; F522-F524 AromaticContact CZ-CE1 3.86Å; F522-F524 HydrophobicContact CZ-CE1 3.86Å; F522-F524 HydrophobicContact CZ-CE2 4.09Å; F522-F524 AromaticContact CZ-CZ 3.77Å; F522-F524 HydrophobicContact CZ-CZ 3.77Å; F522-L527 HydrophobicContact CD2-CD2 4.47Å; F522-L527 HydrophobicContact CE1-CD2 4.04Å; F522-L527 HydrophobicContact CE2-CD2 3.78Å; F522-L527 HydrophobicContact CZ-CD2 3.53Å
523	S	90.4	Very high	89.8	Confident	11 Å²	11	58.3 Å²	58.3	8%	0.077	30%	0.3	C	S	.	.			trans	-147.2	117.7	176.6	177.3	0	0	0	0	110.2	E451 D525 K526 L527	E451-S523 VanDerWaalsContact OE1-CB 3.29Å; E451-S523 WeakPolarHBondContact OE1-CB 3.45Å; E451-S523 PolarHBondContact OE1-OG 2.67Å; S523-D525 VanDerWaalsContact C-N 3.27Å; S523-D525 PolarHBondContact O-N 3.06Å; S523-K526 PolarHBondContact O-N 3.26Å; S523-L527 WeakPolarHBondContact O-CD2 3.35Å; S523-L527 WeakPolarHBondContact O-CG 2.99Å; S523-L527 PolarHBondContact O-N 2.84Å
524	F	85.8	Confident	89.6	Confident	21 Å²	21	58.2 Å²	58.2	9%	0.092	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-37.2	178.5	-87.1	-64.6	0	0	0	112.8	L469 E472 R476 I507 F522 K526 L527 L528	L469-F524 HydrophobicContact CG-CZ 4.2Å; L469-F524 WeakPolarHBondContact O-CZ 3.39Å; E472-F524 HydrophobicContact CB-CE2 4.08Å; E472-F524 HydrophobicContact CB-CZ 4.09Å; E472-F524 HydrophobicContact CG-CD2 3.99Å; E472-F524 HydrophobicContact CG-CE2 3.49Å; E472-F524 VanDerWaalsContact CG-CE2 3.49Å; E472-F524 HydrophobicContact CG-CZ 3.89Å; R476-F524 VanDerWaalsContact NH1-CB 3.34Å; I507-F524 HydrophobicContact CD1-CE1 4.4Å; I507-F524 HydrophobicContact CG1-CE1 4.43Å; F522-F524 HydrophobicContact CE1-CD1 4.24Å; F522-F524 AromaticContact CE1-CD2 3.71Å; F522-F524 HydrophobicContact CE1-CD2 3.71Å; F522-F524 HydrophobicContact CE1-CE1 4.09Å; F522-F524 AromaticContact CE1-CE2 3.56Å; F522-F524 HydrophobicContact CE1-CE2 3.56Å; F522-F524 HydrophobicContact CE1-CG 4.05Å; F522-F524 AromaticContact CE1-CZ 3.75Å; F522-F524 HydrophobicContact CE1-CZ 3.75Å; F522-F524 HydrophobicContact CZ-CD1 4.26Å; F522-F524 HydrophobicContact CZ-CD2 4.45Å; F522-F524 AromaticContact CZ-CE1 3.86Å; F522-F524 HydrophobicContact CZ-CE1 3.86Å; F522-F524 HydrophobicContact CZ-CE2 4.09Å; F522-F524 AromaticContact CZ-CZ 3.77Å; F522-F524 HydrophobicContact CZ-CZ 3.77Å; F524-K526 VanDerWaalsContact C-N 3.3Å; F524-K526 PolarHBondContact O-N 2.77Å; F524-L527 HydrophobicContact CD1-CD1 4.07Å; F524-L527 HydrophobicContact CD1-CD2 3.9Å; F524-L527 HydrophobicContact CD1-CG 4.29Å; F524-L527 HydrophobicContact CE1-CD2 4.39Å; F524-L527 HydrophobicContact CG-CD2 4.41Å; F524-L527 PolarHBondContact O-N 3.47Å; F524-L528 PolarHBondContact O-N 3.35Å
525	D	84.6	Confident	89.6	Confident	112 Å²	112	54.1 Å²	54.1	60%	0.599	28%	0.28	S	S	*	.	H	α-helix	trans	-69	-33.9	-177.1	-61.1	-27.1	0	0	0	111	R476 S523	R476-D525 IonicContact NH1-OD1 2.81Å; R476-D525 PolarHBondContact NH1-OD1 2.76Å; R476-D525 IonicContact NH1-OD2 2.76Å; S523-D525 VanDerWaalsContact C-N 3.27Å; S523-D525 PolarHBondContact O-N 3.06Å
526	K	87	Confident	89.4	Confident	141 Å²	141	51.5 Å²	51.5	61%	0.613	27%	0.266	S	S	*	.	H	α-helix	trans	-75.4	-41.2	174.7	-65.3	-177.3	-178.8	176.4	0	113	S523 F524 L528 D529 T534	S523-K526 PolarHBondContact O-N 3.26Å; F524-K526 VanDerWaalsContact C-N 3.3Å; F524-K526 PolarHBondContact O-N 2.77Å; K526-L528 VanDerWaalsContact C-N 3.33Å; K526-L528 PolarHBondContact O-N 2.86Å; K526-D529 WeakPolarHBondContact O-CB 3.39Å; K526-D529 PolarHBondContact O-N 3.11Å; K526-T534 WeakPolarHBondContact O-CG2 3.44Å
527	L	87.4	Confident	89.2	Confident	13 Å²	13	52.3 Å²	52.3	7%	0.068	27%	0.269	C	S	.	.	H	α-helix	trans	-73.7	-23.6	-174.7	68.4	89.2	0	0	0	113.4	C506 A510 F522 S523 F524	C506-L527 HydrophobicContact CB-CB 4.36Å; C506-L527 HydrophobicContact CB-CD1 3.33Å; C506-L527 HydrophobicContact CB-CG 4.42Å; C506-L527 PolarHBondContact SG-O 2.87Å; A510-L527 HydrophobicContact CB-CB 4.22Å; A510-L527 HydrophobicContact CB-CD2 4.49Å; F522-L527 HydrophobicContact CD2-CD2 4.47Å; F522-L527 HydrophobicContact CE1-CD2 4.04Å; F522-L527 HydrophobicContact CE2-CD2 3.78Å; F522-L527 HydrophobicContact CZ-CD2 3.53Å; S523-L527 WeakPolarHBondContact O-CD2 3.35Å; S523-L527 WeakPolarHBondContact O-CG 2.99Å; S523-L527 PolarHBondContact O-N 2.84Å; F524-L527 HydrophobicContact CD1-CD1 4.07Å; F524-L527 HydrophobicContact CD1-CD2 3.9Å; F524-L527 HydrophobicContact CD1-CG 4.29Å; F524-L527 HydrophobicContact CE1-CD2 4.39Å; F524-L527 HydrophobicContact CG-CD2 4.41Å; F524-L527 PolarHBondContact O-N 3.47Å
528	L	84.1	Confident	89.2	Confident	18 Å²	18	48.9 Å²	48.9	9%	0.094	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	3.5	175.7	-64.9	175.3	0	0	0	113.6	R476 V502 C506 F524 K526 D530	R476-L528 HydrophobicContact CB-CD1 3.37Å; R476-L528 HydrophobicContact CG-CD1 4.43Å; V502-L528 HydrophobicContact CG1-CD2 3.78Å; C506-L528 HydrophobicContact CB-CD2 4.3Å; F524-L528 PolarHBondContact O-N 3.35Å; K526-L528 VanDerWaalsContact C-N 3.33Å; K526-L528 PolarHBondContact O-N 2.86Å; L528-D530 PolarHBondContact O-N 3.49Å
529	D	83.1	Confident	89.2	Confident	68 Å²	68	44.3 Å²	44.3	36%	0.364	22%	0.224	S	C	.	.			trans	-63.9	132.1	172.9	-162.9	-25.3	0	0	0	109.1	K526 R531 T534	K526-D529 WeakPolarHBondContact O-CB 3.39Å; K526-D529 PolarHBondContact O-N 3.11Å; D529-R531 PolarHBondContact O-N 2.91Å; D529-R531 WeakPolarHBondContact OD1-CB 3.39Å; D529-R531 PolarHBondContact OD1-N 2.81Å; D529-T534 HydrophobicContact CB-CG2 4.44Å; D529-T534 WeakPolarHBondContact O-CB 3.44Å; D529-T534 PolarHBondContact O-OG1 2.87Å
530	D	78.3	Confident	89	Confident	52 Å²	52	42.6 Å²	42.6	28%	0.278	21%	0.212	S	C	.	.	S	Bend	trans	-84.1	7.2	176	66.9	-16.6	0	0	0	112.6	K484 L528 Y537 Y540	K484-D530 VanDerWaalsContact CE-OD2 3.31Å; K484-D530 WeakPolarHBondContact CE-OD2 3.46Å; K484-D530 IonicContact NZ-OD2 2.7Å; K484-D530 PolarHBondContact NZ-OD2 3.32Å; L528-D530 PolarHBondContact O-N 3.49Å; D530-Y537 WeakPolarHBondContact O-CD2 3.42Å; D530-Y540 HydrophobicContact CB-CD2 4.14Å; D530-Y540 HydrophobicContact CB-CE2 4.25Å
531	R	79.9	Confident	89	Confident	190 Å²	190	43 Å²	43	72%	0.717	22%	0.216	S	C	*	.	S	Bend	trans	-118.5	152	174.7	-53.4	177.8	-166.9	-174.6	2.4	110.7	D529	D529-R531 PolarHBondContact O-N 2.91Å; D529-R531 WeakPolarHBondContact OD1-CB 3.39Å; D529-R531 PolarHBondContact OD1-N 2.81Å
532	G	86.2	Confident	89.2	Confident	38 Å²	38	40.6 Å²	40.6	39%	0.392	20%	0.201	S	C	.	.	S	Bend	trans	79.1	-165.7	176.4	0	0	0	0	0	113.6	T534 Y537 F606	G532-T534 VanDerWaalsContact C-N 3.26Å; G532-T534 PolarHBondContact O-N 2.76Å; G532-Y537 WeakPolarHBondContact O-CB 3.49Å; G532-Y537 WeakPolarHBondContact O-CD1 3.42Å; G532-F606 WeakPolarHBondContact O-CE2 3.45Å
533	N	91.1	Very high	89.3	Confident	55 Å²	55	40.6 Å²	40.6	29%	0.294	20%	0.202	S	C	.	.	S	Bend	trans	-80	70.4	-174.1	-168.8	5.4	0	0	0	111.1	Y509 D603 F606	Y509-N533 WeakPolarHBondContact CE1-O 3.49Å; Y509-N533 WeakPolarHBondContact CE1-OD1 3.49Å; Y509-N533 PolarHBondContact OH-OD1 3.26Å; N533-D603 PolarHBondContact ND2-OD1 2.59Å; N533-F606 HydrophobicContact CB-CD1 4.1Å; N533-F606 HydrophobicContact CB-CD2 4.03Å; N533-F606 HydrophobicContact CB-CE1 4.32Å; N533-F606 HydrophobicContact CB-CE2 4.27Å; N533-F606 HydrophobicContact CB-CG 3.95Å; N533-F606 HydrophobicContact CB-CZ 4.4Å; N533-F606 WeakPolarHBondContact OD1-CB 3.49Å
534	T	92.9	Very high	89.4	Confident	15 Å²	15	46.8 Å²	46.8	9%	0.092	22%	0.224	C	C	.	.			trans	-126.7	155.4	-179.7	69.2	0	0	0	0	111.3	K526 D529 G532 A536 Y537 L538	K526-T534 WeakPolarHBondContact O-CG2 3.44Å; D529-T534 HydrophobicContact CB-CG2 4.44Å; D529-T534 WeakPolarHBondContact O-CB 3.44Å; D529-T534 PolarHBondContact O-OG1 2.87Å; G532-T534 VanDerWaalsContact C-N 3.26Å; G532-T534 PolarHBondContact O-N 2.76Å; T534-A536 VanDerWaalsContact C-N 3.3Å; T534-A536 PolarHBondContact O-N 3.29Å; T534-Y537 PolarHBondContact O-N 2.93Å; T534-Y537 WeakPolarHBondContact OG1-CB 3.36Å; T534-Y537 PolarHBondContact OG1-N 2.72Å; T534-Y537 VanDerWaalsContact OG1-N 3.14Å; T534-L538 WeakPolarHBondContact O-CG 3.45Å; T534-L538 PolarHBondContact O-N 3.35Å
535	A	93.1	Very high	89.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-66.6	-33.2	172.6	0	0	0	0	0	112.4	C506 Y509 L538 L539 I657	C506-A535 HydrophobicContact CB-CB 4.45Å; Y509-A535 HydrophobicContact CD1-CB 4.32Å; Y509-A535 HydrophobicContact CD2-CB 4.18Å; Y509-A535 HydrophobicContact CG-CB 3.77Å; A535-L538 PolarHBondContact O-N 3.47Å; A535-L539 WeakPolarHBondContact O-CB 3.39Å; A535-L539 VanDerWaalsContact O-CG 3.27Å; A535-L539 WeakPolarHBondContact O-CG 3.47Å; A535-L539 PolarHBondContact O-N 3.19Å; A535-I657 HydrophobicContact CB-CD1 4.42Å
536	A	92.6	Very high	90.3	Very high	3 Å²	3	42 Å²	42	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-51.3	176.4	0	0	0	0	0	110.3	C506 T534 L538 L539 Y540	C506-A536 PolarHBondContact SG-N 2.9Å; T534-A536 VanDerWaalsContact C-N 3.3Å; T534-A536 PolarHBondContact O-N 3.29Å; A536-L538 VanDerWaalsContact C-N 3.34Å; A536-L538 PolarHBondContact O-N 3.16Å; A536-L539 PolarHBondContact O-N 3.04Å; A536-Y540 WeakPolarHBondContact O-CD2 3.46Å; A536-Y540 PolarHBondContact O-N 3.32Å
537	Y	92.6	Very high	90.7	Very high	44 Å²	44	36.3 Å²	36.3	17%	0.173	18%	0.175	C	C	.	.	H	α-helix	trans	-54.1	-48.7	174	168.6	-106.5	0	0	0	112.1	D530 G532 T534 Y540 A541 F606 A609	D530-Y537 WeakPolarHBondContact O-CD2 3.42Å; G532-Y537 WeakPolarHBondContact O-CB 3.49Å; G532-Y537 WeakPolarHBondContact O-CD1 3.42Å; T534-Y537 PolarHBondContact O-N 2.93Å; T534-Y537 WeakPolarHBondContact OG1-CB 3.36Å; T534-Y537 PolarHBondContact OG1-N 2.72Å; T534-Y537 VanDerWaalsContact OG1-N 3.14Å; Y537-Y540 PolarHBondContact O-N 2.8Å; Y537-A541 WeakPolarHBondContact O-CB 3.35Å; Y537-A541 PolarHBondContact O-N 2.62Å; Y537-F606 AromaticContact CD1-CD2 3.84Å; Y537-F606 HydrophobicContact CD1-CD2 3.84Å; Y537-F606 AromaticContact CD1-CE2 3.89Å; Y537-F606 HydrophobicContact CD1-CE2 3.89Å; Y537-F606 AromaticContact CE1-CD2 3.73Å; Y537-F606 HydrophobicContact CE1-CD2 3.73Å; Y537-F606 AromaticContact CE1-CE2 3.7Å; Y537-F606 HydrophobicContact CE1-CE2 3.7Å; Y537-A609 HydrophobicContact CE1-CB 3.87Å
538	L	95.7	Very high	91	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.6	-36.1	-177.8	-71.7	177.1	0	0	0	113.7	Y509 T534 A535 A536 A541 Y542 L605 A609 F652	Y509-L538 HydrophobicContact CD2-CD1 4.46Å; Y509-L538 HydrophobicContact CE2-CD1 3.51Å; Y509-L538 VanDerWaalsContact OH-CD1 3.32Å; Y509-L538 WeakPolarHBondContact OH-CD1 3.49Å; T534-L538 WeakPolarHBondContact O-CG 3.45Å; T534-L538 PolarHBondContact O-N 3.35Å; A535-L538 PolarHBondContact O-N 3.47Å; A536-L538 VanDerWaalsContact C-N 3.34Å; A536-L538 PolarHBondContact O-N 3.16Å; L538-A541 PolarHBondContact O-N 2.95Å; L538-Y542 WeakPolarHBondContact O-CB 3.31Å; L538-Y542 PolarHBondContact O-N 3.35Å; L538-L605 HydrophobicContact CD1-CB 4.02Å; L538-L605 HydrophobicContact CD2-CB 4.43Å; L538-A609 HydrophobicContact CD2-CB 3.66Å; L538-F652 HydrophobicContact CB-CE1 3.93Å; L538-F652 HydrophobicContact CB-CE2 4.39Å; L538-F652 HydrophobicContact CB-CZ 3.39Å; L538-F652 HydrophobicContact CD1-CE1 4.17Å; L538-F652 HydrophobicContact CD1-CZ 4.45Å
539	L	95.2	Very high	91.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.1	-42.6	174.6	-75.3	167.5	0	0	0	110.7	V502 A535 A536 Y542 A543 F652 I657 M663	V502-L539 HydrophobicContact CG2-CD1 4.25Å; A535-L539 WeakPolarHBondContact O-CB 3.39Å; A535-L539 VanDerWaalsContact O-CG 3.27Å; A535-L539 WeakPolarHBondContact O-CG 3.47Å; A535-L539 PolarHBondContact O-N 3.19Å; A536-L539 PolarHBondContact O-N 3.04Å; L539-Y542 PolarHBondContact O-N 2.86Å; L539-A543 WeakPolarHBondContact O-CB 3.25Å; L539-A543 PolarHBondContact O-N 3.37Å; L539-F652 HydrophobicContact CD2-CD2 4.39Å; L539-F652 HydrophobicContact CD2-CE2 3.78Å; L539-F652 HydrophobicContact CD2-CZ 4.07Å; L539-F652 HydrophobicContact CG-CE2 4.22Å; L539-F652 HydrophobicContact CG-CZ 4.05Å; L539-I657 HydrophobicContact CD2-CG2 4.21Å; L539-M663 HydrophobicContact CB-CE 4.05Å; L539-M663 HydrophobicContact CB-SD 3.84Å
540	Y	91.6	Very high	91.8	Very high	48 Å²	48	37 Å²	37	19%	0.188	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-43.4	172.9	-81	-65.2	0	0	0	111.4	K484 D530 A536 Y537 A543 R544 M663	K484-Y540 HydrophobicContact CD-CE1 4.27Å; K484-Y540 HydrophobicContact CD-CE2 4.43Å; K484-Y540 VanDerWaalsContact CD-OH 3.23Å; K484-Y540 WeakPolarHBondContact CD-OH 3.42Å; K484-Y540 VanDerWaalsContact NZ-CE2 3.27Å; D530-Y540 HydrophobicContact CB-CD2 4.14Å; D530-Y540 HydrophobicContact CB-CE2 4.25Å; A536-Y540 WeakPolarHBondContact O-CD2 3.46Å; A536-Y540 PolarHBondContact O-N 3.32Å; Y537-Y540 PolarHBondContact O-N 2.8Å; Y540-A543 PolarHBondContact O-N 2.82Å; Y540-R544 VanDerWaalsContact O-CB 3.24Å; Y540-R544 WeakPolarHBondContact O-CB 3.35Å; Y540-R544 PolarHBondContact O-N 3.15Å; Y540-M663 HydrophobicContact CD1-CB 4.21Å; Y540-M663 HydrophobicContact CD1-CE 4.37Å; Y540-M663 HydrophobicContact CD1-CG 3.71Å; Y540-M663 HydrophobicContact CD1-SD 3.3Å; Y540-M663 WeakPolarHBondContact CD1-SD 3.39Å; Y540-M663 HydrophobicContact CD2-CE 4.16Å; Y540-M663 HydrophobicContact CD2-SD 3.81Å; Y540-M663 HydrophobicContact CE1-CB 4.25Å; Y540-M663 HydrophobicContact CE1-CE 4.01Å; Y540-M663 HydrophobicContact CE1-CG 3.42Å; Y540-M663 VanDerWaalsContact CE1-CG 3.42Å; Y540-M663 HydrophobicContact CE1-SD 3.4Å; Y540-M663 WeakPolarHBondContact CE1-SD 3.32Å; Y540-M663 HydrophobicContact CE2-CE 3.75Å; Y540-M663 HydrophobicContact CE2-SD 3.87Å; Y540-M663 HydrophobicContact CG-CE 4.4Å; Y540-M663 HydrophobicContact CG-CG 4.47Å; Y540-M663 HydrophobicContact CG-SD 3.47Å; Y540-M663 PolarHBondContact N-SD 2.92Å; Y540-M663 VanDerWaalsContact N-SD 3.43Å
541	A	93.8	Very high	92.4	Very high	14 Å²	14	38.6 Å²	38.6	12%	0.116	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-47.7	176.5	0	0	0	0	0	111.1	Y537 L538 R544 I545 A609	Y537-A541 WeakPolarHBondContact O-CB 3.35Å; Y537-A541 PolarHBondContact O-N 2.62Å; L538-A541 PolarHBondContact O-N 2.95Å; A541-R544 PolarHBondContact O-N 2.76Å; A541-I545 WeakPolarHBondContact O-CD1 3.14Å; A541-I545 WeakPolarHBondContact O-CG1 3.33Å; A541-I545 PolarHBondContact O-N 3.32Å; A541-A609 HydrophobicContact CB-CB 4.15Å
542	Y	96.3	Very high	93	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-55.6	-53.5	175.9	173.7	-99	0	0	0	112.2	L538 L539 R544 I545 R546 A645 I648 A649 T659 I660 E661	L538-Y542 WeakPolarHBondContact O-CB 3.31Å; L538-Y542 PolarHBondContact O-N 3.35Å; L539-Y542 PolarHBondContact O-N 2.86Å; Y542-R544 VanDerWaalsContact C-N 3.3Å; Y542-R544 PolarHBondContact O-N 3.19Å; Y542-I545 PolarHBondContact O-N 2.91Å; Y542-I545 VanDerWaalsContact O-N 3.16Å; Y542-R546 HydrophobicContact CE1-CG 4.07Å; Y542-R546 HydrophobicContact CE2-CG 3.99Å; Y542-R546 PolarHBondContact O-N 2.79Å; Y542-R546 PolarHBondContact OH-NE 3.06Å; Y542-A645 HydrophobicContact CD2-CB 4.22Å; Y542-A645 HydrophobicContact CE2-CB 4Å; Y542-A645 WeakPolarHBondContact CE2-O 3.4Å; Y542-I648 HydrophobicContact CD2-CB 4.21Å; Y542-I648 HydrophobicContact CD2-CG2 3.97Å; Y542-I648 HydrophobicContact CG-CG2 4.35Å; Y542-A649 HydrophobicContact CE2-CB 3.81Å; Y542-T659 HydrophobicContact CD1-CG2 4.5Å; Y542-T659 HydrophobicContact CE1-CG2 4.28Å; Y542-I660 WeakPolarHBondContact CD1-O 3.48Å; Y542-I660 VanDerWaalsContact CE1-O 3.27Å; Y542-I660 WeakPolarHBondContact CE1-O 3.47Å; Y542-E661 PolarHBondContact OH-OE1 3.05Å
543	A	93.5	Very high	93.2	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.041	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-37.2	-178.4	0	0	0	0	0	111.9	L539 Y540 S547 M663	L539-A543 WeakPolarHBondContact O-CB 3.25Å; L539-A543 PolarHBondContact O-N 3.37Å; Y540-A543 PolarHBondContact O-N 2.82Å; A543-S547 WeakPolarHBondContact O-CB 3.39Å; A543-S547 PolarHBondContact O-N 3.42Å; A543-S547 VanDerWaalsContact O-N 3.08Å; A543-M663 HydrophobicContact CB-CB 3.54Å
544	R	93.2	Very high	93.4	Very high	140 Å²	140	32.9 Å²	32.9	53%	0.528	16%	0.157	S	C	.	.	H	α-helix	trans	-62.2	-46.6	173.4	-179.8	179.3	174.3	134	-7	111.3	Y540 A541 Y542 S547	Y540-R544 VanDerWaalsContact O-CB 3.24Å; Y540-R544 WeakPolarHBondContact O-CB 3.35Å; Y540-R544 PolarHBondContact O-N 3.15Å; A541-R544 PolarHBondContact O-N 2.76Å; Y542-R544 VanDerWaalsContact C-N 3.3Å; Y542-R544 PolarHBondContact O-N 3.19Å; R544-S547 WeakPolarHBondContact O-CB 3.22Å; R544-S547 PolarHBondContact O-N 3.19Å; R544-S547 PolarHBondContact O-OG 3.41Å
545	I	95.8	Very high	93.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-50.6	180	-64.4	159.5	0	0	0	110.4	A541 Y542 S547 I548 F612 C641 T644 A645 I648	A541-I545 WeakPolarHBondContact O-CD1 3.14Å; A541-I545 WeakPolarHBondContact O-CG1 3.33Å; A541-I545 PolarHBondContact O-N 3.32Å; Y542-I545 PolarHBondContact O-N 2.91Å; Y542-I545 VanDerWaalsContact O-N 3.16Å; I545-S547 PolarHBondContact O-N 3.49Å; I545-I548 WeakPolarHBondContact O-CB 3.49Å; I545-I548 WeakPolarHBondContact O-CG1 3.44Å; I545-I548 PolarHBondContact O-N 3.06Å; I545-F612 HydrophobicContact CB-CZ 4.35Å; I545-F612 HydrophobicContact CD1-CD1 3.89Å; I545-F612 HydrophobicContact CD1-CD2 4.27Å; I545-F612 HydrophobicContact CD1-CE1 4.18Å; I545-F612 HydrophobicContact CD1-CG 3.97Å; I545-F612 HydrophobicContact CD1-CZ 4.48Å; I545-F612 HydrophobicContact CG1-CD1 3.65Å; I545-F612 HydrophobicContact CG1-CD2 4.25Å; I545-F612 HydrophobicContact CG1-CE1 3.42Å; I545-F612 VanDerWaalsContact CG1-CE1 3.42Å; I545-F612 HydrophobicContact CG1-CE2 4.03Å; I545-F612 HydrophobicContact CG1-CG 4.1Å; I545-F612 HydrophobicContact CG1-CZ 3.63Å; I545-F612 HydrophobicContact CG2-CE2 4.11Å; I545-F612 HydrophobicContact CG2-CZ 4.12Å; I545-C641 HydrophobicContact CG2-CB 4.03Å; I545-C641 WeakPolarHBondContact CG2-O 3.33Å; I545-T644 HydrophobicContact CD1-CG2 4.03Å; I545-A645 HydrophobicContact CB-CB 4.33Å; I545-A645 HydrophobicContact CG2-CB 3.77Å; I545-I648 HydrophobicContact CD1-CD1 3.63Å
546	R	93.8	Very high	93.6	Very high	32 Å²	32	40.4 Å²	40.4	12%	0.121	19%	0.192	C	C	.	.	H	α-helix	trans	-58.7	-29.2	176.9	-74.5	-66.1	-165.4	-152.6	-6.2	113.2	Y542 I548 E642 A645 D646	Y542-R546 HydrophobicContact CE1-CG 4.07Å; Y542-R546 HydrophobicContact CE2-CG 3.99Å; Y542-R546 PolarHBondContact O-N 2.79Å; Y542-R546 PolarHBondContact OH-NE 3.06Å; R546-I548 VanDerWaalsContact C-N 3.27Å; R546-I548 PolarHBondContact O-N 2.87Å; R546-E642 IonicContact CZ-OE2 2.59Å; R546-E642 IonicContact NH1-OE2 2.83Å; R546-E642 PolarHBondContact NH1-OE2 2.79Å; R546-A645 HydrophobicContact CG-CB 4.06Å; R546-D646 IonicContact CZ-OD1 2.87Å; R546-D646 IonicContact NH1-OD1 3.74Å; R546-D646 PolarHBondContact NH1-OD1 2.7Å; R546-D646 IonicContact NH2-OD1 3.95Å; R546-D646 PolarHBondContact NH2-OD1 3.28Å
547	S	93.7	Very high	93.7	Very high	22 Å²	22	46.9 Å²	46.9	15%	0.154	22%	0.221	C	C	.	.	H	α-helix	trans	-69.5	-21.7	177.4	81.9	0	0	0	0	113.8	A543 R544 I545 R550 N551	A543-S547 WeakPolarHBondContact O-CB 3.39Å; A543-S547 PolarHBondContact O-N 3.42Å; A543-S547 VanDerWaalsContact O-N 3.08Å; R544-S547 WeakPolarHBondContact O-CB 3.22Å; R544-S547 PolarHBondContact O-N 3.19Å; R544-S547 PolarHBondContact O-OG 3.41Å; I545-S547 PolarHBondContact O-N 3.49Å; S547-R550 PolarHBondContact O-N 3.49Å; S547-N551 VanDerWaalsContact O-CB 3.29Å; S547-N551 WeakPolarHBondContact O-CB 3.27Å; S547-N551 PolarHBondContact O-N 3.21Å; S547-N551 PolarHBondContact O-ND2 3.02Å; S547-N551 PolarHBondContact O-OD1 3.4Å
548	I	94.9	Very high	93.9	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.015	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-54.4	-172.7	-60.8	165.6	0	0	0	110.9	I545 R546 R550 N551 A552 F612 Y616 C621 I622 L638 C641	I545-I548 WeakPolarHBondContact O-CB 3.49Å; I545-I548 WeakPolarHBondContact O-CG1 3.44Å; I545-I548 PolarHBondContact O-N 3.06Å; R546-I548 VanDerWaalsContact C-N 3.27Å; R546-I548 PolarHBondContact O-N 2.87Å; I548-R550 VanDerWaalsContact C-N 3.28Å; I548-R550 PolarHBondContact O-N 2.96Å; I548-N551 PolarHBondContact O-N 3.29Å; I548-A552 PolarHBondContact O-N 3.23Å; I548-A552 VanDerWaalsContact O-N 3.08Å; I548-F612 HydrophobicContact CD1-CE1 4.22Å; I548-F612 HydrophobicContact CD1-CZ 3.61Å; I548-Y616 HydrophobicContact CD1-CD2 3.68Å; I548-Y616 HydrophobicContact CD1-CE2 3.47Å; I548-Y616 VanDerWaalsContact CD1-CE2 3.47Å; I548-Y616 HydrophobicContact CG1-CE2 3.94Å; I548-Y616 HydrophobicContact CG2-CE2 4.37Å; I548-C621 HydrophobicContact CG2-CB 4.02Å; I548-I622 HydrophobicContact CG2-CD1 4.04Å; I548-I622 HydrophobicContact CG2-CG1 4.48Å; I548-I622 WeakPolarHBondContact O-CD1 3.14Å; I548-L638 HydrophobicContact CG2-CD2 3.57Å; I548-C641 HydrophobicContact CD1-CB 4.49Å
549	A	92.3	Very high	93.9	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-38.6	178.6	0	0	0	0	0	111.6	N551 A552 N553 V554 E642	A549-N551 PolarHBondContact O-N 3.17Å; A549-A552 CarbonylContact O-C 3.57Å; A549-A552 WeakPolarHBondContact O-CA 3.29Å; A549-A552 WeakPolarHBondContact O-CB 3.37Å; A549-A552 PolarHBondContact O-N 3.34Å; A549-A552 VanDerWaalsContact O-N 3.07Å; A549-N553 PolarHBondContact O-N 2.92Å; A549-V554 PolarHBondContact O-N 2.83Å; A549-E642 WeakPolarHBondContact CB-OE1 3.45Å
550	R	91.3	Very high	93.8	Very high	104 Å²	104	51.7 Å²	51.7	39%	0.392	25%	0.247	S	C	.	.	H	α-helix	trans	-59.7	-45	173.9	-174	172.1	63.7	-133.8	3.3	112.1	S547 I548 A552 N553 E661	S547-R550 PolarHBondContact O-N 3.49Å; I548-R550 VanDerWaalsContact C-N 3.28Å; I548-R550 PolarHBondContact O-N 2.96Å; R550-A552 PolarHBondContact O-N 3.03Å; R550-N553 PolarHBondContact O-N 3.36Å; R550-E661 PolarHBondContact NH1-O 3.09Å; R550-E661 VanDerWaalsContact NH1-O 3.08Å
551	N	91	Very high	94	Very high	86 Å²	86	54.9 Å²	54.9	46%	0.46	26%	0.262	S	S	.	.	H	α-helix	trans	-67.9	-18.8	176.6	-69.5	-19.4	0	0	0	113	S547 I548 A549 I622	S547-N551 VanDerWaalsContact O-CB 3.29Å; S547-N551 WeakPolarHBondContact O-CB 3.27Å; S547-N551 PolarHBondContact O-N 3.21Å; S547-N551 PolarHBondContact O-ND2 3.02Å; S547-N551 PolarHBondContact O-OD1 3.4Å; I548-N551 PolarHBondContact O-N 3.29Å; A549-N551 PolarHBondContact O-N 3.17Å; N551-I622 HydrophobicContact CB-CD1 4.43Å
552	A	92.3	Very high	94	Very high	8 Å²	8	56.7 Å²	56.7	7%	0.066	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.6	171.7	0	0	0	0	0	113.2	I548 A549 R550 V554 I622 V633 L638	I548-A552 PolarHBondContact O-N 3.23Å; I548-A552 VanDerWaalsContact O-N 3.08Å; A549-A552 CarbonylContact O-C 3.57Å; A549-A552 WeakPolarHBondContact O-CA 3.29Å; A549-A552 WeakPolarHBondContact O-CB 3.37Å; A549-A552 PolarHBondContact O-N 3.34Å; A549-A552 VanDerWaalsContact O-N 3.07Å; R550-A552 PolarHBondContact O-N 3.03Å; A552-V554 HydrophobicContact CB-CB 4.27Å; A552-V554 HydrophobicContact CB-CG2 3.82Å; A552-V554 PolarHBondContact O-N 3.39Å; A552-I622 HydrophobicContact CB-CD1 3.63Å; A552-I622 HydrophobicContact CB-CG1 3.96Å; A552-V633 HydrophobicContact CB-CG1 4.22Å; A552-V633 HydrophobicContact CB-CG2 4.34Å; A552-L638 HydrophobicContact CB-CD1 4.11Å
553	N	91.7	Very high	93.8	Very high	141 Å²	141	57.2 Å²	57.2	75%	0.754	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	31.8	-167.1	-59.2	-57	0	0	0	113.1	A549 R550	A549-N553 PolarHBondContact O-N 2.92Å; R550-N553 PolarHBondContact O-N 3.36Å
554	V	95.2	Very high	93.6	Very high	15 Å²	15	63.6 Å²	63.6	9%	0.091	30%	0.301	C	S	.	.			trans	-102	124.3	178.8	177.7	0	0	0	0	109	A549 A552 A558 L559 V633 Y635 L638	A549-V554 PolarHBondContact O-N 2.83Å; A552-V554 HydrophobicContact CB-CB 4.27Å; A552-V554 HydrophobicContact CB-CG2 3.82Å; A552-V554 PolarHBondContact O-N 3.39Å; V554-A558 HydrophobicContact CG1-CB 4.2Å; V554-L559 HydrophobicContact CG1-CD1 4.38Å; V554-L559 HydrophobicContact CG1-CD2 3.69Å; V554-L559 HydrophobicContact CG1-CG 3.69Å; V554-V633 HydrophobicContact CG2-CG1 4.03Å; V554-Y635 HydrophobicContact CG1-CE1 4.05Å; V554-L638 HydrophobicContact CB-CD1 4.05Å; V554-L638 HydrophobicContact CG1-CD1 4.24Å; V554-L638 HydrophobicContact CG2-CD1 4.05Å
555	T	95.1	Very high	93.4	Very high	78 Å²	78	62.8 Å²	62.8	48%	0.479	30%	0.303	S	S	.	.			trans	-83.9	159.2	176.6	77.9	0	0	0	0	111.3	E557 A558 L559	T555-E557 VanDerWaalsContact CB-OE2 3.23Å; T555-E557 WeakPolarHBondContact CB-OE2 3.45Å; T555-E557 PolarHBondContact O-N 3.42Å; T555-E557 PolarHBondContact OG1-OE2 3.01Å; T555-A558 WeakPolarHBondContact O-CB 3.22Å; T555-A558 PolarHBondContact O-N 3.5Å; T555-A558 VanDerWaalsContact O-N 3.17Å; T555-A558 PolarHBondContact OG1-N 2.92Å; T555-L559 PolarHBondContact O-N 2.95Å
556	R	94.2	Very high	92.8	Very high	95 Å²	95	68.8 Å²	68.8	36%	0.358	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-33.4	177.2	-170.5	170.2	177.8	147.6	5.8	111.7	F184 L559 R560 D646	F184-R556 HydrophobicContact CE2-CG 4.22Å; F184-R556 HydrophobicContact CZ-CG 4.21Å; F184-R556 PolarHBondContact O-NH2 3Å; R556-L559 PolarHBondContact O-N 2.93Å; R556-R560 PolarHBondContact O-N 3.5Å; R556-D646 IonicContact CZ-OD1 2.57Å; R556-D646 IonicContact CZ-OD2 2.82Å; R556-D646 VanDerWaalsContact CZ-OD2 3.28Å; R556-D646 IonicContact NH1-OD1 3.68Å; R556-D646 PolarHBondContact NH1-OD1 3.45Å; R556-D646 IonicContact NH1-OD2 3.13Å; R556-D646 PolarHBondContact NH1-OD2 3.37Å; R556-D646 IonicContact NH2-OD1 2.68Å; R556-D646 IonicContact NH2-OD2 3.8Å; R556-D646 PolarHBondContact NH2-OD2 2.87Å
557	E	95.5	Very high	92.4	Very high	139 Å²	139	74.1 Å²	74.1	65%	0.65	36%	0.361	S	S	*	.	H	α-helix	trans	-63.8	-39.9	174.9	-60.9	72.6	-157.7	0	0	111.6	T555 R560 K561	T555-E557 VanDerWaalsContact CB-OE2 3.23Å; T555-E557 WeakPolarHBondContact CB-OE2 3.45Å; T555-E557 PolarHBondContact O-N 3.42Å; T555-E557 PolarHBondContact OG1-OE2 3.01Å; E557-R560 PolarHBondContact O-N 2.79Å; E557-K561 WeakPolarHBondContact O-CB 3.35Å; E557-K561 PolarHBondContact O-N 3.02Å
558	A	95.6	Very high	92.2	Very high	35 Å²	35	73.6 Å²	73.6	29%	0.289	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-40.3	176.5	0	0	0	0	0	111.7	V554 T555 F562	V554-A558 HydrophobicContact CG1-CB 4.2Å; T555-A558 WeakPolarHBondContact O-CB 3.22Å; T555-A558 PolarHBondContact O-N 3.5Å; T555-A558 VanDerWaalsContact O-N 3.17Å; T555-A558 PolarHBondContact OG1-N 2.92Å; A558-F562 WeakPolarHBondContact O-CB 3.25Å; A558-F562 PolarHBondContact O-N 2.72Å
559	L	95.9	Very high	92	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-65.8	-40.6	174.3	-66.8	176.1	0	0	0	112.1	F184 V554 T555 R556 F562 A563 Y635 L638 I639 E642	F184-L559 HydrophobicContact CE1-CB 4.1Å; F184-L559 HydrophobicContact CZ-CB 3.58Å; F184-L559 HydrophobicContact CZ-CD1 4.41Å; V554-L559 HydrophobicContact CG1-CD1 4.38Å; V554-L559 HydrophobicContact CG1-CD2 3.69Å; V554-L559 HydrophobicContact CG1-CG 3.69Å; T555-L559 PolarHBondContact O-N 2.95Å; R556-L559 PolarHBondContact O-N 2.93Å; L559-F562 WeakPolarHBondContact O-CB 3.09Å; L559-F562 PolarHBondContact O-N 2.7Å; L559-A563 PolarHBondContact O-N 2.7Å; L559-Y635 HydrophobicContact CD2-CD1 3.65Å; L559-Y635 HydrophobicContact CD2-CE1 4.22Å; L559-Y635 HydrophobicContact CD2-CG 4.17Å; L559-L638 HydrophobicContact CD1-CB 4.14Å; L559-L638 HydrophobicContact CD2-CB 3.73Å; L559-L638 HydrophobicContact CD2-CD1 4.24Å; L559-I639 HydrophobicContact CB-CG1 4.2Å; L559-I639 HydrophobicContact CD2-CG1 4.26Å; L559-E642 HydrophobicContact CD1-CG 3.69Å
560	R	94.3	Very high	92	Very high	111 Å²	111	77.3 Å²	77.3	42%	0.419	38%	0.378	S	S	.	.	H	α-helix	trans	-63.2	-48.3	177.1	-165.7	-174	-138.2	179	-0.8	111.6	F184 C185 R556 E557 F562 A563 E564	F184-R560 HydrophobicContact CE1-CB 4.37Å; C185-R560 PolarHBondContact O-NH2 3Å; R556-R560 PolarHBondContact O-N 3.5Å; E557-R560 PolarHBondContact O-N 2.79Å; R560-F562 VanDerWaalsContact C-N 3.27Å; R560-F562 PolarHBondContact O-N 3.3Å; R560-A563 WeakPolarHBondContact O-CB 3.31Å; R560-A563 PolarHBondContact O-N 2.92Å; R560-A563 VanDerWaalsContact O-N 3.09Å; R560-E564 WeakPolarHBondContact O-CG 3.08Å; R560-E564 PolarHBondContact O-N 2.87Å
561	K	94.5	Very high	92	Very high	115 Å²	115	76.8 Å²	76.8	50%	0.5	39%	0.39	S	S	.	.	H	α-helix	trans	-57.1	-43.3	175.2	-175.3	179.4	-180	-178.4	0	111.4	E557 E564 E565	E557-K561 WeakPolarHBondContact O-CB 3.35Å; E557-K561 PolarHBondContact O-N 3.02Å; K561-E564 PolarHBondContact O-N 3.13Å; K561-E565 WeakPolarHBondContact CE-OE1 3.44Å; K561-E565 VanDerWaalsContact CE-OE2 3.29Å; K561-E565 WeakPolarHBondContact CE-OE2 3.39Å; K561-E565 HydrophobicContact CG-CG 4.29Å; K561-E565 IonicContact NZ-OE1 3.73Å; K561-E565 WeakPolarHBondContact O-CB 3.42Å; K561-E565 WeakPolarHBondContact O-CG 3.28Å; K561-E565 PolarHBondContact O-N 2.96Å
562	F	93.8	Very high	92.3	Very high	51 Å²	51	76 Å²	76	22%	0.224	38%	0.383	C	S	.	.	H	α-helix	trans	-60.4	-44.9	175.2	179.3	-83.6	0	0	0	112.1	A558 L559 R560 E564 E565 K566 V568 Y635 N636 I639	A558-F562 WeakPolarHBondContact O-CB 3.25Å; A558-F562 PolarHBondContact O-N 2.72Å; L559-F562 WeakPolarHBondContact O-CB 3.09Å; L559-F562 PolarHBondContact O-N 2.7Å; R560-F562 VanDerWaalsContact C-N 3.27Å; R560-F562 PolarHBondContact O-N 3.3Å; F562-E564 VanDerWaalsContact C-N 3.27Å; F562-E564 PolarHBondContact O-N 2.89Å; F562-E565 PolarHBondContact O-N 2.63Å; F562-K566 HydrophobicContact CD1-CB 4.44Å; F562-K566 HydrophobicContact CD2-CB 4.23Å; F562-K566 HydrophobicContact CD2-CG 3.8Å; F562-K566 HydrophobicContact CE1-CB 4.17Å; F562-K566 HydrophobicContact CE2-CB 3.97Å; F562-K566 HydrophobicContact CE2-CG 3.75Å; F562-K566 HydrophobicContact CG-CB 4.45Å; F562-K566 HydrophobicContact CG-CG 4.35Å; F562-K566 HydrophobicContact CZ-CB 3.93Å; F562-K566 HydrophobicContact CZ-CG 4.25Å; F562-K566 VanDerWaalsContact O-CB 3.31Å; F562-K566 WeakPolarHBondContact O-CB 3.29Å; F562-K566 PolarHBondContact O-N 3.2Å; F562-V568 HydrophobicContact CD1-CG2 4.42Å; F562-V568 HydrophobicContact CE1-CG2 4.12Å; F562-Y635 HydrophobicContact CB-CD1 3.78Å; F562-Y635 HydrophobicContact CB-CE1 4.47Å; F562-Y635 HydrophobicContact CD1-CD1 4.4Å; F562-Y635 HydrophobicContact CD1-CG 4.49Å; F562-Y635 AromaticContact CD2-CD1 3.83Å; F562-Y635 HydrophobicContact CD2-CD1 3.83Å; F562-Y635 AromaticContact CD2-CG 3.96Å; F562-Y635 HydrophobicContact CD2-CG 3.96Å; F562-Y635 HydrophobicContact CE2-CG 4.26Å; F562-Y635 AromaticContact CG-CD1 3.74Å; F562-Y635 HydrophobicContact CG-CD1 3.74Å; F562-Y635 HydrophobicContact CG-CG 4.09Å; F562-N636 WeakPolarHBondContact CE1-OD1 3.38Å; F562-N636 WeakPolarHBondContact CZ-OD1 3.35Å; F562-I639 HydrophobicContact CD1-CD1 4.05Å
563	A	92.4	Very high	92.4	Very high	16 Å²	16	81.5 Å²	81.5	13%	0.132	41%	0.408	C	S	.	.	H	α-helix	trans	-64.3	-28.5	178.7	0	0	0	0	0	113.6	L181 L559 R560 V568 I639	L181-A563 HydrophobicContact CD2-CB 4.25Å; L559-A563 PolarHBondContact O-N 2.7Å; R560-A563 WeakPolarHBondContact O-CB 3.31Å; R560-A563 PolarHBondContact O-N 2.92Å; R560-A563 VanDerWaalsContact O-N 3.09Å; A563-V568 HydrophobicContact CB-CG2 4.49Å; A563-I639 HydrophobicContact CB-CD1 4.02Å
564	E	89.9	Confident	92.7	Very high	139 Å²	139	76.5 Å²	76.5	65%	0.65	38%	0.38	S	S	*	.	H	α-helix	trans	-84.1	-32.5	178.1	-70.1	169.7	-175.9	0	0	113	R560 K561 F562	R560-E564 WeakPolarHBondContact O-CG 3.08Å; R560-E564 PolarHBondContact O-N 2.87Å; K561-E564 PolarHBondContact O-N 3.13Å; F562-E564 VanDerWaalsContact C-N 3.27Å; F562-E564 PolarHBondContact O-N 2.89Å
565	E	88.5	Confident	92.8	Very high	122 Å²	122	75.9 Å²	75.9	57%	0.57	38%	0.376	S	S	*	.	H	α-helix	trans	-100.1	-18.9	-172.7	-67.4	-179.9	171.3	0	0	114.6	K561 F562	K561-E565 WeakPolarHBondContact CE-OE1 3.44Å; K561-E565 VanDerWaalsContact CE-OE2 3.29Å; K561-E565 WeakPolarHBondContact CE-OE2 3.39Å; K561-E565 HydrophobicContact CG-CG 4.29Å; K561-E565 IonicContact NZ-OE1 3.73Å; K561-E565 WeakPolarHBondContact O-CB 3.42Å; K561-E565 WeakPolarHBondContact O-CG 3.28Å; K561-E565 PolarHBondContact O-N 2.96Å; F562-E565 PolarHBondContact O-N 2.63Å
566	K	84	Confident	92.8	Very high	128 Å²	128	74.1 Å²	74.1	56%	0.557	36%	0.36	S	S	*	.	S	Bend	trans	-122.7	152.4	-172.5	-59.4	-64.2	-178.7	-173.9	0	111.6	F562 V568	F562-K566 HydrophobicContact CD1-CB 4.44Å; F562-K566 HydrophobicContact CD2-CB 4.23Å; F562-K566 HydrophobicContact CD2-CG 3.8Å; F562-K566 HydrophobicContact CE1-CB 4.17Å; F562-K566 HydrophobicContact CE2-CB 3.97Å; F562-K566 HydrophobicContact CE2-CG 3.75Å; F562-K566 HydrophobicContact CG-CB 4.45Å; F562-K566 HydrophobicContact CG-CG 4.35Å; F562-K566 HydrophobicContact CZ-CB 3.93Å; F562-K566 HydrophobicContact CZ-CG 4.25Å; F562-K566 VanDerWaalsContact O-CB 3.31Å; F562-K566 WeakPolarHBondContact O-CB 3.29Å; F562-K566 PolarHBondContact O-N 3.2Å; K566-V568 PolarHBondContact O-N 3.5Å; K566-V568 VanDerWaalsContact O-N 3.16Å
567	D	85	Confident	92.9	Very high	144 Å²	144	73.5 Å²	73.5	77%	0.77	36%	0.36	S	S	*	.			trans	-75.3	102.7	172.5	-166.2	24.4	0	0	0	109.5
568	V	88.4	Confident	93	Very high	11 Å²	11	66.9 Å²	66.9	7%	0.067	33%	0.329	C	S	.	.			trans	-76.8	133.7	174.4	-173.5	0	0	0	0	107.3	L177 L181 F562 A563 K566 N636 I639	L177-V568 HydrophobicContact CD1-CG1 4.09Å; L177-V568 HydrophobicContact CD2-CB 4.17Å; L177-V568 HydrophobicContact CD2-CG1 4.04Å; L177-V568 WeakPolarHBondContact CD2-O 3.37Å; L181-V568 HydrophobicContact CD1-CB 3.94Å; L181-V568 HydrophobicContact CD1-CG1 4.49Å; L181-V568 HydrophobicContact CD1-CG2 3.97Å; L181-V568 HydrophobicContact CD2-CB 4.38Å; L181-V568 HydrophobicContact CD2-CG1 4.21Å; L181-V568 HydrophobicContact CD2-CG2 4.09Å; F562-V568 HydrophobicContact CD1-CG2 4.42Å; F562-V568 HydrophobicContact CE1-CG2 4.12Å; A563-V568 HydrophobicContact CB-CG2 4.49Å; K566-V568 PolarHBondContact O-N 3.5Å; K566-V568 VanDerWaalsContact O-N 3.16Å; V568-N636 HydrophobicContact CG1-CB 4.01Å; V568-I639 HydrophobicContact CG2-CD1 4.37Å
569	T	92	Very high	93.1	Very high	68 Å²	68	65.2 Å²	65.2	42%	0.417	32%	0.316	S	S	.	.			trans	-135.1	153	179.8	50.7	0	0	0	0	110.6	N636	T569-N636 PolarHBondContact N-ND2 3.43Å; T569-N636 PolarHBondContact O-ND2 3.22Å
570	L	92.4	Very high	93.1	Very high	18 Å²	18	67.4 Å²	67.4	9%	0.094	33%	0.325	C	S	.	.			trans	-99.1	129.9	167.4	-51.6	175.3	0	0	0	107.4	E173 L177 E575 W576 A579 L640	E173-L570 HydrophobicContact CG-CD1 4.3Å; E173-L570 WeakPolarHBondContact OE1-CB 3.28Å; L177-L570 HydrophobicContact CB-CD1 4.45Å; L177-L570 HydrophobicContact CD1-CD2 4.06Å; L177-L570 HydrophobicContact CD1-CG 4.29Å; L177-L570 HydrophobicContact CD2-CG 4.23Å; L570-E575 HydrophobicContact CB-CB 4.31Å; L570-E575 HydrophobicContact CD2-CB 4.08Å; L570-W576 HydrophobicContact CD1-CE3 3.69Å; L570-W576 HydrophobicContact CD1-CZ3 4.27Å; L570-A579 HydrophobicContact CD1-CB 3.77Å; L570-L640 HydrophobicContact CD2-CD1 4.09Å
571	S	91.4	Very high	93.2	Very high	93 Å²	93	63.8 Å²	63.8	65%	0.65	31%	0.312	S	S	*	.			trans	-120.1	-10.5	-170.8	63.4	0	0	0	0	113	E575	S571-E575 PolarHBondContact N-OE2 3.18Å; S571-E575 PolarHBondContact OG-OE1 3.16Å; S571-E575 PolarHBondContact OG-OE2 3Å
572	H	95.9	Very high	93.3	Very high	68 Å²	68	58.3 Å²	58.3	32%	0.315	29%	0.289	S	S	.	.	S	Bend	trans	-134.5	143.9	-174.5	-164.1	-95.1	0	0	0	111.5	K574 E575 W576 C619	H572-K574 PolarHBondContact ND1-N 2.53Å; H572-K574 PolarHBondContact O-N 3.22Å; H572-K574 VanDerWaalsContact O-N 3.12Å; H572-E575 HydrophobicContact CB-CB 4.46Å; H572-E575 HydrophobicContact CB-CG 4.02Å; H572-E575 PolarHBondContact N-OE2 3.22Å; H572-E575 VanDerWaalsContact O-CB 3.3Å; H572-E575 WeakPolarHBondContact O-CB 3.25Å; H572-E575 PolarHBondContact O-N 3.21Å; H572-W576 PolarHBondContact O-N 3.02Å; H572-W576 VanDerWaalsContact O-N 3.12Å; H572-C619 PolarHBondContact ND1-SG 3.36Å
573	E	95.2	Very high	93.3	Very high	124 Å²	124	56.5 Å²	56.5	58%	0.579	28%	0.281	S	S	*	.	H	α-helix	trans	-57.2	-31.7	-179.1	54.1	159.8	-129.6	0	0	113.5	W576 K577	E573-W576 WeakPolarHBondContact O-CB 3.4Å; E573-W576 PolarHBondContact O-N 3.35Å; E573-K577 WeakPolarHBondContact O-CB 3.48Å; E573-K577 PolarHBondContact O-N 2.91Å
574	K	97.2	Very high	93.4	Very high	37 Å²	37	57.6 Å²	57.6	16%	0.161	28%	0.283	C	S	.	.	H	α-helix	trans	-75.5	-29.8	177.1	-52.4	-52.8	-175.5	-164	0	112.9	H572 W576 L578 E614 F615 N618	H572-K574 PolarHBondContact ND1-N 2.53Å; H572-K574 PolarHBondContact O-N 3.22Å; H572-K574 VanDerWaalsContact O-N 3.12Å; K574-W576 VanDerWaalsContact C-N 3.35Å; K574-L578 WeakPolarHBondContact O-CB 3.43Å; K574-L578 PolarHBondContact O-N 2.91Å; K574-E614 HydrophobicContact CD-CG 3.98Å; K574-E614 VanDerWaalsContact CD-OE1 3.27Å; K574-E614 WeakPolarHBondContact CD-OE1 3.49Å; K574-E614 WeakPolarHBondContact CE-OE1 3.32Å; K574-E614 IonicContact NZ-OE1 3.79Å; K574-E614 PolarHBondContact NZ-OE1 3.31Å; K574-F615 HydrophobicContact CB-CB 4.4Å; K574-N618 HydrophobicContact CG-CB 4.1Å
575	E	97.5	Very high	93.6	Very high	2 Å²	2	51 Å²	51	1%	0.009	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-45.6	170.2	-67.8	164.1	-165.3	0	0	109.4	L570 S571 H572 L578 A579 F615 R637 L640	L570-E575 HydrophobicContact CB-CB 4.31Å; L570-E575 HydrophobicContact CD2-CB 4.08Å; S571-E575 PolarHBondContact N-OE2 3.18Å; S571-E575 PolarHBondContact OG-OE1 3.16Å; S571-E575 PolarHBondContact OG-OE2 3Å; H572-E575 HydrophobicContact CB-CB 4.46Å; H572-E575 HydrophobicContact CB-CG 4.02Å; H572-E575 PolarHBondContact N-OE2 3.22Å; H572-E575 VanDerWaalsContact O-CB 3.3Å; H572-E575 WeakPolarHBondContact O-CB 3.25Å; H572-E575 PolarHBondContact O-N 3.21Å; E575-L578 PolarHBondContact O-N 3.2Å; E575-A579 WeakPolarHBondContact O-CB 3.42Å; E575-A579 PolarHBondContact O-N 2.84Å; E575-F615 HydrophobicContact CG-CD2 4.07Å; E575-F615 HydrophobicContact CG-CE2 3.69Å; E575-R637 IonicContact OE1-CZ 3.39Å; E575-R637 IonicContact OE1-NE 3.68Å; E575-R637 PolarHBondContact OE1-NE 2.94Å; E575-R637 IonicContact OE1-NH2 2.67Å; E575-R637 PolarHBondContact OE1-NH2 2.95Å; E575-L640 HydrophobicContact CB-CD1 3.99Å; E575-L640 HydrophobicContact CG-CD1 4.13Å
576	W	95.9	Very high	93.8	Very high	41 Å²	41	46 Å²	46	16%	0.155	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-47	175.3	177.8	-132	0	0	0	112.9	L171 E173 V176 L570 H572 E573 K574 L578 A579 K580	L171-W576 HydrophobicContact CB-CH2 4.35Å; L171-W576 HydrophobicContact CB-CZ2 4.46Å; E173-W576 HydrophobicContact CB-CH2 4.13Å; E173-W576 HydrophobicContact CB-CZ3 4.02Å; E173-W576 HydrophobicContact CG-CE3 3.89Å; E173-W576 HydrophobicContact CG-CH2 4.38Å; E173-W576 HydrophobicContact CG-CZ3 3.8Å; V176-W576 HydrophobicContact CB-CH2 3.72Å; V176-W576 HydrophobicContact CB-CZ3 3.56Å; V176-W576 HydrophobicContact CG1-CE3 4.36Å; V176-W576 HydrophobicContact CG1-CH2 3.9Å; V176-W576 HydrophobicContact CG1-CZ3 3.43Å; V176-W576 VanDerWaalsContact CG1-CZ3 3.43Å; V176-W576 HydrophobicContact CG2-CH2 3.68Å; V176-W576 HydrophobicContact CG2-CZ3 4.06Å; L570-W576 HydrophobicContact CD1-CE3 3.69Å; L570-W576 HydrophobicContact CD1-CZ3 4.27Å; H572-W576 PolarHBondContact O-N 3.02Å; H572-W576 VanDerWaalsContact O-N 3.12Å; E573-W576 WeakPolarHBondContact O-CB 3.4Å; E573-W576 PolarHBondContact O-N 3.35Å; K574-W576 VanDerWaalsContact C-N 3.35Å; W576-L578 VanDerWaalsContact C-N 3.33Å; W576-L578 PolarHBondContact O-N 3.26Å; W576-A579 PolarHBondContact O-N 2.84Å; W576-K580 HydrophobicContact CD2-CD 4.16Å; W576-K580 HydrophobicContact CD2-CG 4.05Å; W576-K580 HydrophobicContact CE3-CG 4.17Å; W576-K580 HydrophobicContact CH2-CD 4.2Å; W576-K580 HydrophobicContact CH2-CG 3.97Å; W576-K580 HydrophobicContact CZ2-CD 3.57Å; W576-K580 HydrophobicContact CZ2-CG 3.84Å; W576-K580 HydrophobicContact CZ3-CG 4.13Å; W576-K580 WeakPolarHBondContact O-CG 3.49Å; W576-K580 PolarHBondContact O-N 2.97Å
577	K	96.1	Very high	94.2	Very high	82 Å²	82	40.2 Å²	40.2	36%	0.357	21%	0.205	S	C	.	.	H	α-helix	trans	-59.1	-43.3	177.2	-171.8	-179.2	-178.7	-176.6	0	112	E573 K581 V611 E614	E573-K577 WeakPolarHBondContact O-CB 3.48Å; E573-K577 PolarHBondContact O-N 2.91Å; K577-K581 PolarHBondContact O-N 3Å; K577-K581 VanDerWaalsContact O-N 3.13Å; K577-V611 HydrophobicContact CD-CG1 4.42Å; K577-V611 HydrophobicContact CG-CG1 4.09Å; K577-E614 IonicContact NZ-OE1 3.9Å; K577-E614 PolarHBondContact NZ-OE1 3.39Å; K577-E614 IonicContact NZ-OE2 3.38Å; K577-E614 PolarHBondContact NZ-OE2 3.43Å
578	L	98.1	Very high	94.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.1	-46.5	177.8	179.7	59	0	0	0	111.6	K574 E575 W576 K580 K581 I582 L608 V611 F612 F615 L640	K574-L578 WeakPolarHBondContact O-CB 3.43Å; K574-L578 PolarHBondContact O-N 2.91Å; E575-L578 PolarHBondContact O-N 3.2Å; W576-L578 VanDerWaalsContact C-N 3.33Å; W576-L578 PolarHBondContact O-N 3.26Å; L578-K580 VanDerWaalsContact C-N 3.34Å; L578-K580 PolarHBondContact O-N 3.17Å; L578-K581 WeakPolarHBondContact O-CA 3.26Å; L578-K581 WeakPolarHBondContact O-CB 3.47Å; L578-K581 PolarHBondContact O-N 2.84Å; L578-I582 HydrophobicContact CD1-CD1 4.15Å; L578-I582 HydrophobicContact CD1-CG1 4.29Å; L578-I582 HydrophobicContact CG-CD1 3.82Å; L578-I582 HydrophobicContact CG-CG1 4.46Å; L578-I582 WeakPolarHBondContact O-CG1 3.45Å; L578-I582 PolarHBondContact O-N 3.08Å; L578-L608 HydrophobicContact CD1-CD1 3.95Å; L578-V611 HydrophobicContact CB-CG1 4.18Å; L578-V611 HydrophobicContact CD1-CG1 4.09Å; L578-F612 HydrophobicContact CD1-CB 4.37Å; L578-F612 HydrophobicContact CD2-CD2 4.03Å; L578-F615 HydrophobicContact CB-CB 4.38Å; L578-F615 HydrophobicContact CD2-CB 3.97Å; L578-F615 HydrophobicContact CD2-CD1 3.45Å; L578-F615 VanDerWaalsContact CD2-CD1 3.45Å; L578-F615 HydrophobicContact CD2-CD2 4.18Å; L578-F615 HydrophobicContact CD2-CE1 3.92Å; L578-F615 HydrophobicContact CD2-CG 3.58Å; L578-F615 HydrophobicContact CD2-CZ 4.46Å; L578-L640 HydrophobicContact CD2-CB 4.07Å
579	A	97.2	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.4	-46.1	177.9	0	0	0	0	0	112.1	V176 V180 L570 E575 W576 K581 I582 L583 L640	V176-A579 HydrophobicContact CG1-CB 4.29Å; V180-A579 HydrophobicContact CG2-CB 4.26Å; L570-A579 HydrophobicContact CD1-CB 3.77Å; E575-A579 WeakPolarHBondContact O-CB 3.42Å; E575-A579 PolarHBondContact O-N 2.84Å; W576-A579 PolarHBondContact O-N 2.84Å; A579-K581 VanDerWaalsContact C-N 3.31Å; A579-K581 PolarHBondContact O-N 3.29Å; A579-I582 PolarHBondContact O-N 3.36Å; A579-L583 WeakPolarHBondContact O-CB 3.47Å; A579-L583 PolarHBondContact O-N 3.4Å; A579-L640 HydrophobicContact CB-CD2 4.38Å
580	K	95.5	Very high	94.9	Very high	46 Å²	46	30.8 Å²	30.8	20%	0.2	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-38.4	173.9	-71.9	-168.3	-65.4	-172.6	0	112.7	D103 V176 W576 L578 K584	D103-K580 WeakPolarHBondContact OD1-CD 3.33Å; D103-K580 WeakPolarHBondContact OD1-CE 3.44Å; D103-K580 IonicContact OD1-NZ 3.7Å; D103-K580 PolarHBondContact OD1-NZ 3.29Å; V176-K580 HydrophobicContact CG1-CG 4.49Å; W576-K580 HydrophobicContact CD2-CD 4.16Å; W576-K580 HydrophobicContact CD2-CG 4.05Å; W576-K580 HydrophobicContact CE3-CG 4.17Å; W576-K580 HydrophobicContact CH2-CD 4.2Å; W576-K580 HydrophobicContact CH2-CG 3.97Å; W576-K580 HydrophobicContact CZ2-CD 3.57Å; W576-K580 HydrophobicContact CZ2-CG 3.84Å; W576-K580 HydrophobicContact CZ3-CG 4.13Å; W576-K580 WeakPolarHBondContact O-CG 3.49Å; W576-K580 PolarHBondContact O-N 2.97Å; L578-K580 VanDerWaalsContact C-N 3.34Å; L578-K580 PolarHBondContact O-N 3.17Å; K580-K584 PolarHBondContact O-N 3.21Å
581	K	96.6	Very high	94.9	Very high	35 Å²	35	32.7 Å²	32.7	15%	0.152	17%	0.166	C	C	.	.	H	α-helix	trans	-67.7	-44.9	179	-166.1	58.4	57.3	-176.1	0	111	E95 K577 L578 A579 L583 K584 Y604 T607 L608 V611	E95-K581 IonicContact OE1-NZ 2.87Å; K577-K581 PolarHBondContact O-N 3Å; K577-K581 VanDerWaalsContact O-N 3.13Å; L578-K581 WeakPolarHBondContact O-CA 3.26Å; L578-K581 WeakPolarHBondContact O-CB 3.47Å; L578-K581 PolarHBondContact O-N 2.84Å; A579-K581 VanDerWaalsContact C-N 3.31Å; A579-K581 PolarHBondContact O-N 3.29Å; K581-L583 VanDerWaalsContact C-N 3.34Å; K581-L583 PolarHBondContact O-N 3.47Å; K581-K584 VanDerWaalsContact O-CB 3.31Å; K581-K584 WeakPolarHBondContact O-CB 3.45Å; K581-K584 PolarHBondContact O-N 2.87Å; K581-K584 VanDerWaalsContact O-N 3.17Å; K581-Y604 HydrophobicContact CD-CD2 4.38Å; K581-Y604 HydrophobicContact CD-CE2 3.97Å; K581-Y604 HydrophobicContact CG-CE2 4.23Å; K581-Y604 WeakPolarHBondContact O-CE2 3.36Å; K581-Y604 PolarHBondContact O-OH 3.27Å; K581-T607 HydrophobicContact CD-CG2 4.24Å; K581-L608 HydrophobicContact CB-CD1 4.11Å; K581-L608 HydrophobicContact CG-CB 4.34Å; K581-L608 HydrophobicContact CG-CD1 3.76Å; K581-V611 HydrophobicContact CB-CG1 4.39Å; K581-V611 HydrophobicContact CG-CG2 4.48Å
582	I	97.2	Very high	95.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54.3	-50.8	173.8	-69.8	154.3	0	0	0	110.6	V180 M183 L578 A579 K584 F585 L608 L640 V643 V647	V180-I582 HydrophobicContact CG1-CD1 4.46Å; V180-I582 HydrophobicContact CG1-CG2 4.35Å; V180-I582 HydrophobicContact CG2-CB 4.48Å; V180-I582 HydrophobicContact CG2-CG2 4.19Å; M183-I582 HydrophobicContact CE-CG2 3.64Å; M183-I582 HydrophobicContact SD-CG2 4.07Å; L578-I582 HydrophobicContact CD1-CD1 4.15Å; L578-I582 HydrophobicContact CD1-CG1 4.29Å; L578-I582 HydrophobicContact CG-CD1 3.82Å; L578-I582 HydrophobicContact CG-CG1 4.46Å; L578-I582 WeakPolarHBondContact O-CG1 3.45Å; L578-I582 PolarHBondContact O-N 3.08Å; A579-I582 PolarHBondContact O-N 3.36Å; I582-K584 PolarHBondContact O-N 3.35Å; I582-K584 VanDerWaalsContact O-N 3.1Å; I582-F585 PolarHBondContact O-N 3.13Å; I582-F585 VanDerWaalsContact O-N 3.13Å; I582-L608 HydrophobicContact CG1-CD1 4.17Å; I582-L640 HydrophobicContact CD1-CD2 4.13Å; I582-V643 HydrophobicContact CD1-CG1 3.6Å; I582-V643 HydrophobicContact CG1-CG1 4.34Å; I582-V643 HydrophobicContact CG2-CG1 4.2Å; I582-V643 HydrophobicContact CG2-CG2 3.99Å; I582-V647 HydrophobicContact CG2-CG2 4.14Å
583	L	93.7	Very high	95	Very high	12 Å²	12	25.7 Å²	25.7	6%	0.063	12%	0.123	C	C	.	.	H	α-helix	trans	-61.6	-21.9	-177.3	-176.3	60.7	0	0	0	113.3	V67 V176 R179 V180 M183 A579 K581 F585 P586	V67-L583 HydrophobicContact CG2-CD1 4.19Å; V67-L583 HydrophobicContact CG2-CD2 3.65Å; V67-L583 HydrophobicContact CG2-CG 3.67Å; V176-L583 HydrophobicContact CB-CD2 4.12Å; V176-L583 HydrophobicContact CG1-CD2 3.9Å; V176-L583 HydrophobicContact CG2-CD2 3.7Å; R179-L583 HydrophobicContact CB-CD1 3.65Å; R179-L583 HydrophobicContact CG-CD1 4.37Å; V180-L583 HydrophobicContact CG2-CB 4.47Å; M183-L583 HydrophobicContact SD-CD1 4.39Å; A579-L583 WeakPolarHBondContact O-CB 3.47Å; A579-L583 PolarHBondContact O-N 3.4Å; K581-L583 VanDerWaalsContact C-N 3.34Å; K581-L583 PolarHBondContact O-N 3.47Å; L583-F585 VanDerWaalsContact C-N 3.3Å; L583-F585 PolarHBondContact O-N 2.87Å; L583-P586 VanDerWaalsContact O-CD 3.32Å; L583-P586 WeakPolarHBondContact O-CD 3.25Å
584	K	93	Very high	94.8	Very high	39 Å²	39	25.8 Å²	25.8	17%	0.17	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-15	179.8	-165.8	179.2	-179	-176.6	0	113.5	E95 K580 K581 I582 D587 V588 Y604	E95-K584 IonicContact OE1-NZ 3.08Å; E95-K584 PolarHBondContact OE1-NZ 2.72Å; E95-K584 IonicContact OE2-NZ 2.7Å; E95-K584 PolarHBondContact OE2-NZ 3.02Å; K580-K584 PolarHBondContact O-N 3.21Å; K581-K584 VanDerWaalsContact O-CB 3.31Å; K581-K584 WeakPolarHBondContact O-CB 3.45Å; K581-K584 PolarHBondContact O-N 2.87Å; K581-K584 VanDerWaalsContact O-N 3.17Å; I582-K584 PolarHBondContact O-N 3.35Å; I582-K584 VanDerWaalsContact O-N 3.1Å; K584-D587 HydrophobicContact CG-CB 4.22Å; K584-D587 VanDerWaalsContact O-CB 3.3Å; K584-D587 WeakPolarHBondContact O-CB 3.44Å; K584-D587 PolarHBondContact O-N 3.33Å; K584-V588 HydrophobicContact CG-CG2 4.48Å; K584-V588 PolarHBondContact O-N 2.93Å; K584-Y604 HydrophobicContact CB-CE2 4.27Å
585	F	95.5	Very high	94.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-54	-46	-174.6	-176	-123.9	0	0	0	114.1	I188 I582 L583 D587 V588 L589 Y604 V647 T650 I654	I188-F585 HydrophobicContact CG2-CD1 3.53Å; I188-F585 HydrophobicContact CG2-CE1 3.74Å; I582-F585 PolarHBondContact O-N 3.13Å; I582-F585 VanDerWaalsContact O-N 3.13Å; L583-F585 VanDerWaalsContact C-N 3.3Å; L583-F585 PolarHBondContact O-N 2.87Å; F585-D587 PolarHBondContact O-N 3.04Å; F585-V588 WeakPolarHBondContact O-CB 3.38Å; F585-V588 PolarHBondContact O-N 3.47Å; F585-V588 VanDerWaalsContact O-N 3.08Å; F585-L589 HydrophobicContact CD1-CD1 4.26Å; F585-L589 HydrophobicContact CE1-CD1 3.85Å; F585-L589 HydrophobicContact CE1-CD2 4.41Å; F585-L589 HydrophobicContact CE1-CG 4.28Å; F585-L589 HydrophobicContact CE2-CD2 3.9Å; F585-L589 HydrophobicContact CE2-CG 4.3Å; F585-L589 HydrophobicContact CZ-CD1 4.12Å; F585-L589 HydrophobicContact CZ-CD2 3.83Å; F585-L589 HydrophobicContact CZ-CG 4.18Å; F585-L589 WeakPolarHBondContact O-CG 3.25Å; F585-L589 PolarHBondContact O-N 3.26Å; F585-Y604 HydrophobicContact CB-CE1 3.92Å; F585-Y604 WeakPolarHBondContact CB-OH 3.38Å; F585-Y604 AromaticContact CD2-CD1 3.64Å; F585-Y604 HydrophobicContact CD2-CD1 3.64Å; F585-Y604 AromaticContact CD2-CE1 3.26Å; F585-Y604 HydrophobicContact CD2-CE1 3.26Å; F585-Y604 HydrophobicContact CE2-CD1 4.2Å; F585-Y604 HydrophobicContact CE2-CE1 4.09Å; F585-Y604 AromaticContact CG-CE1 3.95Å; F585-Y604 HydrophobicContact CG-CE1 3.95Å; F585-V647 HydrophobicContact CB-CG1 3.91Å; F585-V647 HydrophobicContact CD1-CG1 4.01Å; F585-V647 HydrophobicContact CD2-CG1 3.91Å; F585-V647 HydrophobicContact CE1-CG1 4.48Å; F585-V647 HydrophobicContact CE2-CG1 4.37Å; F585-V647 HydrophobicContact CG-CG1 3.67Å; F585-T650 HydrophobicContact CE1-CG2 3.66Å; F585-T650 HydrophobicContact CZ-CG2 4.02Å; F585-I654 HydrophobicContact CZ-CD1 4.27Å
586	P	92.4	Very high	94.8	Very high	17 Å²	17	26.5 Å²	26.5	11%	0.11	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-27.9	176	-23.6	36.4	0	0	0	114.2	L583 L589 S590	L583-P586 VanDerWaalsContact O-CD 3.32Å; L583-P586 WeakPolarHBondContact O-CD 3.25Å; P586-L589 PolarHBondContact O-N 2.91Å; P586-S590 PolarHBondContact O-N 3.29Å; P586-S590 PolarHBondContact O-OG 3.45Å
587	D	91.3	Very high	94.9	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.043	13%	0.129	C	C	.	.	H	α-helix	trans	-67.2	-42.1	174.2	-63	-48.9	0	0	0	110.7	S66 V67 T68 Y104 K584 F585 L589 S590 V591	S66-D587 WeakPolarHBondContact CB-OD1 3.48Å; S66-D587 PolarHBondContact OG-OD1 3.24Å; V67-D587 PolarHBondContact N-OD1 2.73Å; V67-D587 VanDerWaalsContact N-OD1 3.17Å; T68-D587 WeakPolarHBondContact CB-OD1 3.45Å; T68-D587 PolarHBondContact N-OD1 3.22Å; T68-D587 PolarHBondContact OG1-OD1 3.35Å; Y104-D587 PolarHBondContact OH-OD2 3.38Å; Y104-D587 VanDerWaalsContact OH-OD2 3.13Å; K584-D587 HydrophobicContact CG-CB 4.22Å; K584-D587 VanDerWaalsContact O-CB 3.3Å; K584-D587 WeakPolarHBondContact O-CB 3.44Å; K584-D587 PolarHBondContact O-N 3.33Å; F585-D587 PolarHBondContact O-N 3.04Å; D587-L589 VanDerWaalsContact C-N 3.33Å; D587-L589 PolarHBondContact O-N 3.21Å; D587-S590 WeakPolarHBondContact O-CB 3.36Å; D587-S590 PolarHBondContact O-N 3.3Å; D587-V591 WeakPolarHBondContact O-CG2 3.12Å; D587-V591 PolarHBondContact O-N 2.88Å
588	V	94.5	Very high	95	Very high	15 Å²	15	21.8 Å²	21.8	9%	0.091	11%	0.113	C	C	.	.	H	α-helix	trans	-61.9	-44.5	176	178.2	0	0	0	0	110.2	K584 F585 S590 V591 V592 Y600 I601 Y604	K584-V588 HydrophobicContact CG-CG2 4.48Å; K584-V588 PolarHBondContact O-N 2.93Å; F585-V588 WeakPolarHBondContact O-CB 3.38Å; F585-V588 PolarHBondContact O-N 3.47Å; F585-V588 VanDerWaalsContact O-N 3.08Å; V588-S590 VanDerWaalsContact C-N 3.3Å; V588-S590 PolarHBondContact O-N 3.5Å; V588-V591 PolarHBondContact O-N 2.82Å; V588-V592 WeakPolarHBondContact O-CG2 3.43Å; V588-V592 PolarHBondContact O-N 2.93Å; V588-Y600 WeakPolarHBondContact CG1-O 3.39Å; V588-I601 HydrophobicContact CG1-CG1 4.22Å; V588-Y604 HydrophobicContact CB-CG 4.39Å; V588-Y604 HydrophobicContact CG1-CG 4.33Å; V588-Y604 HydrophobicContact CG2-CD2 3.62Å; V588-Y604 HydrophobicContact CG2-CE2 4.34Å; V588-Y604 HydrophobicContact CG2-CG 3.77Å
589	L	94.9	Very high	95	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.5	-40.7	176	-60.6	-172.5	0	0	0	112.1	L228 Y231 F585 P586 D587 V591 V592 L593 I601 I654	L228-L589 HydrophobicContact CD1-CB 4.41Å; L228-L589 HydrophobicContact CD1-CD2 3.98Å; Y231-L589 HydrophobicContact CD1-CD1 4.09Å; Y231-L589 HydrophobicContact CE1-CD1 3.56Å; F585-L589 HydrophobicContact CD1-CD1 4.26Å; F585-L589 HydrophobicContact CE1-CD1 3.85Å; F585-L589 HydrophobicContact CE1-CD2 4.41Å; F585-L589 HydrophobicContact CE1-CG 4.28Å; F585-L589 HydrophobicContact CE2-CD2 3.9Å; F585-L589 HydrophobicContact CE2-CG 4.3Å; F585-L589 HydrophobicContact CZ-CD1 4.12Å; F585-L589 HydrophobicContact CZ-CD2 3.83Å; F585-L589 HydrophobicContact CZ-CG 4.18Å; F585-L589 WeakPolarHBondContact O-CG 3.25Å; F585-L589 PolarHBondContact O-N 3.26Å; P586-L589 PolarHBondContact O-N 2.91Å; D587-L589 VanDerWaalsContact C-N 3.33Å; D587-L589 PolarHBondContact O-N 3.21Å; L589-V591 PolarHBondContact O-N 2.9Å; L589-V592 PolarHBondContact O-N 2.57Å; L589-L593 WeakPolarHBondContact O-CB 3.44Å; L589-L593 WeakPolarHBondContact O-CD1 3.47Å; L589-L593 VanDerWaalsContact O-CG 3.29Å; L589-L593 WeakPolarHBondContact O-CG 3.47Å; L589-L593 PolarHBondContact O-N 3.45Å; L589-I601 HydrophobicContact CD2-CD1 4.13Å; L589-I601 HydrophobicContact CD2-CG1 4.22Å; L589-I654 HydrophobicContact CD1-CD1 4.3Å; L589-I654 HydrophobicContact CD2-CD1 3.71Å
590	S	90.9	Very high	95	Very high	10 Å²	10	27.1 Å²	27.1	7%	0.07	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-44	176.4	-58.1	0	0	0	0	111.7	Q69 P586 D587 V588 V592 L593 E594	Q69-S590 PolarHBondContact NE2-OG 3.3Å; P586-S590 PolarHBondContact O-N 3.29Å; P586-S590 PolarHBondContact O-OG 3.45Å; D587-S590 WeakPolarHBondContact O-CB 3.36Å; D587-S590 PolarHBondContact O-N 3.3Å; V588-S590 VanDerWaalsContact C-N 3.3Å; V588-S590 PolarHBondContact O-N 3.5Å; S590-V592 VanDerWaalsContact C-N 3.34Å; S590-V592 PolarHBondContact O-N 2.68Å; S590-L593 PolarHBondContact O-N 3.15Å; S590-E594 PolarHBondContact O-N 2.86Å
591	V	92.3	Very high	95.1	Very high	58 Å²	58	24.9 Å²	24.9	35%	0.352	13%	0.125	S	C	.	.	H	α-helix	trans	-61.7	-41.4	174.9	172.6	0	0	0	0	111.5	D587 V588 L589 E594 T595 Y600	D587-V591 WeakPolarHBondContact O-CG2 3.12Å; D587-V591 PolarHBondContact O-N 2.88Å; V588-V591 PolarHBondContact O-N 2.82Å; L589-V591 PolarHBondContact O-N 2.9Å; V591-E594 PolarHBondContact O-N 3.49Å; V591-T595 HydrophobicContact CG1-CG2 4.37Å; V591-T595 WeakPolarHBondContact O-CB 3.4Å; V591-T595 WeakPolarHBondContact O-CG2 3.28Å; V591-T595 PolarHBondContact O-N 2.81Å; V591-T595 PolarHBondContact O-OG1 3.32Å; V591-Y600 HydrophobicContact CG1-CD2 3.9Å; V591-Y600 HydrophobicContact CG1-CE2 3.96Å; V591-Y600 HydrophobicContact CG1-CG 4.19Å
592	V	96.1	Very high	95.2	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-71.5	-34	178.5	-175.2	0	0	0	0	112.2	L228 V588 L589 S590 E594 T595 L596 L597 Y600 I601	L228-V592 HydrophobicContact CD2-CB 3.85Å; L228-V592 HydrophobicContact CD2-CG1 3.42Å; L228-V592 VanDerWaalsContact CD2-CG1 3.42Å; V588-V592 WeakPolarHBondContact O-CG2 3.43Å; V588-V592 PolarHBondContact O-N 2.93Å; L589-V592 PolarHBondContact O-N 2.57Å; S590-V592 VanDerWaalsContact C-N 3.34Å; S590-V592 PolarHBondContact O-N 2.68Å; V592-E594 VanDerWaalsContact C-N 3.26Å; V592-E594 PolarHBondContact O-N 3.43Å; V592-T595 PolarHBondContact O-N 3.03Å; V592-L596 WeakPolarHBondContact O-CA 3.28Å; V592-L596 PolarHBondContact O-N 3.19Å; V592-L597 VanDerWaalsContact CG2-O 3.32Å; V592-L597 WeakPolarHBondContact CG2-O 3.43Å; V592-Y600 HydrophobicContact CG2-CD2 4.3Å; V592-Y600 HydrophobicContact CG2-CG 4.5Å; V592-I601 HydrophobicContact CB-CD1 4.45Å; V592-I601 HydrophobicContact CG1-CD1 4.26Å; V592-I601 HydrophobicContact CG2-CD1 4.18Å; V592-I601 HydrophobicContact CG2-CG1 3.93Å
593	L	93.3	Very high	95.2	Very high	11 Å²	11	26.3 Å²	26.3	6%	0.058	13%	0.134	C	C	.	.	H	α-helix	trans	-62.5	-34.4	173.8	-75.9	161.3	0	0	0	112.4	P191 L193 L228 L229 V232 F234 L589 S590	P191-L593 HydrophobicContact CG-CD1 3.9Å; L193-L593 HydrophobicContact CD1-CD1 3.95Å; L228-L593 HydrophobicContact CD1-CD2 4.47Å; L228-L593 HydrophobicContact CD1-CG 4.4Å; L228-L593 HydrophobicContact CD2-CD2 4.14Å; L228-L593 HydrophobicContact CD2-CG 4.14Å; L228-L593 HydrophobicContact CG-CD2 3.96Å; L228-L593 HydrophobicContact CG-CG 4.25Å; L229-L593 HydrophobicContact CD2-CD2 3.92Å; V232-L593 HydrophobicContact CB-CD2 4.47Å; V232-L593 HydrophobicContact CG1-CD1 4.18Å; V232-L593 HydrophobicContact CG2-CD1 3.81Å; V232-L593 HydrophobicContact CG2-CD2 4.08Å; V232-L593 HydrophobicContact CG2-CG 4.4Å; F234-L593 HydrophobicContact CE2-CD2 4.28Å; L589-L593 WeakPolarHBondContact O-CB 3.44Å; L589-L593 WeakPolarHBondContact O-CD1 3.47Å; L589-L593 VanDerWaalsContact O-CG 3.29Å; L589-L593 WeakPolarHBondContact O-CG 3.47Å; L589-L593 PolarHBondContact O-N 3.45Å; S590-L593 PolarHBondContact O-N 3.15Å
594	E	92.1	Very high	95.4	Very high	127 Å²	127	26.2 Å²	26.2	59%	0.593	13%	0.133	S	C	*	.	H	α-helix	trans	-75.8	-48	176	-69.8	178.7	-178.8	0	0	111.7	R439 S590 V591 V592	R439-E594 PolarHBondContact NH2-O 2.71Å; S590-E594 PolarHBondContact O-N 2.86Å; V591-E594 PolarHBondContact O-N 3.49Å; V592-E594 VanDerWaalsContact C-N 3.26Å; V592-E594 PolarHBondContact O-N 3.43Å
595	T	96.1	Very high	95.7	Very high	50 Å²	50	24.4 Å²	24.4	31%	0.307	13%	0.125	S	C	.	.	H	α-helix	trans	-94.2	-17.2	-168.8	61.7	0	0	0	0	115.2	R516 V591 V592 L597	R516-T595 PolarHBondContact NH1-O 3.39Å; V591-T595 HydrophobicContact CG1-CG2 4.37Å; V591-T595 WeakPolarHBondContact O-CB 3.4Å; V591-T595 WeakPolarHBondContact O-CG2 3.28Å; V591-T595 PolarHBondContact O-N 2.81Å; V591-T595 PolarHBondContact O-OG1 3.32Å; V592-T595 PolarHBondContact O-N 3.03Å; T595-L597 PolarHBondContact O-N 3.37Å; T595-L597 PolarHBondContact OG1-N 3.36Å
596	L	97.8	Very high	95.8	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.137	C	C	.	.			trans	52.9	30	-169.6	-59.5	179.4	0	0	0	113.6	I225 W407 I409 V443 R516 V592 P598	I225-L596 HydrophobicContact CD1-CB 4.17Å; I225-L596 HydrophobicContact CG1-CD2 4.42Å; I225-L596 HydrophobicContact CG2-CD2 4.04Å; W407-L596 HydrophobicContact CH2-CD1 4.5Å; W407-L596 HydrophobicContact CH2-CD2 3.76Å; W407-L596 HydrophobicContact CH2-CG 4.37Å; W407-L596 HydrophobicContact CZ2-CD1 3.82Å; W407-L596 HydrophobicContact CZ2-CD2 3.93Å; W407-L596 HydrophobicContact CZ2-CG 4.12Å; I409-L596 HydrophobicContact CD1-CD1 3.98Å; I409-L596 HydrophobicContact CD1-CD2 4.39Å; I409-L596 HydrophobicContact CG1-CD1 4.48Å; I409-L596 HydrophobicContact CG2-CD1 4.13Å; V443-L596 HydrophobicContact CG2-CD1 3.54Å; R516-L596 PolarHBondContact NH1-O 3.19Å; V592-L596 WeakPolarHBondContact O-CA 3.28Å; V592-L596 PolarHBondContact O-N 3.19Å; L596-P598 VanDerWaalsContact O-CD 3.3Å; L596-P598 WeakPolarHBondContact O-CD 3.45Å
597	L	98	Very high	96.1	Very high	20 Å²	20	28.9 Å²	28.9	11%	0.105	15%	0.148	C	C	.	.			trans	-102	99.2	-177	-78.3	171.6	0	0	0	111.5	R516 V592 T595 N599 Y600	R516-L597 HydrophobicContact CG-CD2 3.99Å; R516-L597 VanDerWaalsContact NH1-CG 3.3Å; V592-L597 VanDerWaalsContact CG2-O 3.32Å; V592-L597 WeakPolarHBondContact CG2-O 3.43Å; T595-L597 PolarHBondContact O-N 3.37Å; T595-L597 PolarHBondContact OG1-N 3.36Å; L597-N599 PolarHBondContact O-N 3.24Å; L597-Y600 HydrophobicContact CB-CD2 3.63Å; L597-Y600 HydrophobicContact CB-CE2 3.64Å; L597-Y600 HydrophobicContact CD1-CD2 4.48Å; L597-Y600 HydrophobicContact CD1-CE2 3.63Å; L597-Y600 HydrophobicContact CG-CE2 4.27Å; L597-Y600 WeakPolarHBondContact O-CD2 3.28Å; L597-Y600 PolarHBondContact O-N 3.4Å
598	P	98.2	Very high	96.4	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.019	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24	-176.6	-26.4	38.3	0	0	0	114.6	C224 L512 L596 Y600 I601 C602 L655	C224-P598 HydrophobicContact CB-CG 4.43Å; L512-P598 HydrophobicContact CB-CB 4.21Å; L512-P598 HydrophobicContact CD2-CB 3.84Å; L512-P598 HydrophobicContact CD2-CG 3.88Å; L512-P598 CarbonylContact O-C 3.42Å; L596-P598 VanDerWaalsContact O-CD 3.3Å; L596-P598 WeakPolarHBondContact O-CD 3.45Å; P598-Y600 PolarHBondContact O-N 3.32Å; P598-Y600 VanDerWaalsContact O-N 3.11Å; P598-I601 WeakPolarHBondContact O-CB 3.48Å; P598-I601 PolarHBondContact O-N 3.07Å; P598-C602 PolarHBondContact O-N 3.24Å; P598-L655 HydrophobicContact CB-CD2 4.33Å
599	N	98	Very high	96.5	Very high	15 Å²	15	27.9 Å²	27.9	8%	0.08	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-26.6	-177.2	68.9	-84.7	0	0	0	113	L512 L597 I601 C602 D603	L512-N599 WeakPolarHBondContact O-CA 3.49Å; L512-N599 VanDerWaalsContact O-CB 3.3Å; L512-N599 WeakPolarHBondContact O-CB 3.49Å; L512-N599 PolarHBondContact O-N 3.41Å; L597-N599 PolarHBondContact O-N 3.24Å; N599-I601 VanDerWaalsContact C-N 3.28Å; N599-I601 PolarHBondContact O-N 3.25Å; N599-C602 WeakPolarHBondContact O-CB 3.36Å; N599-C602 PolarHBondContact O-N 3.12Å; N599-D603 WeakPolarHBondContact O-CB 3.27Å; N599-D603 VanDerWaalsContact O-CG 3.27Å; N599-D603 PolarHBondContact O-N 3.09Å
600	Y	98	Very high	96.6	Very high	97 Å²	97	30 Å²	30	38%	0.38	16%	0.157	S	C	.	.	H	α-helix	trans	-63.6	-33.5	173.6	-68.5	-66	0	0	0	112.7	V588 V591 V592 L597 P598 Y604	V588-Y600 WeakPolarHBondContact CG1-O 3.39Å; V591-Y600 HydrophobicContact CG1-CD2 3.9Å; V591-Y600 HydrophobicContact CG1-CE2 3.96Å; V591-Y600 HydrophobicContact CG1-CG 4.19Å; V592-Y600 HydrophobicContact CG2-CD2 4.3Å; V592-Y600 HydrophobicContact CG2-CG 4.5Å; L597-Y600 HydrophobicContact CB-CD2 3.63Å; L597-Y600 HydrophobicContact CB-CE2 3.64Å; L597-Y600 HydrophobicContact CD1-CD2 4.48Å; L597-Y600 HydrophobicContact CD1-CE2 3.63Å; L597-Y600 HydrophobicContact CG-CE2 4.27Å; L597-Y600 WeakPolarHBondContact O-CD2 3.28Å; L597-Y600 PolarHBondContact O-N 3.4Å; P598-Y600 PolarHBondContact O-N 3.32Å; P598-Y600 VanDerWaalsContact O-N 3.11Å; Y600-Y604 VanDerWaalsContact O-CB 3.22Å; Y600-Y604 WeakPolarHBondContact O-CB 3.35Å; Y600-Y604 PolarHBondContact O-N 2.97Å; Y600-Y604 VanDerWaalsContact O-N 3.07Å
601	I	98.4	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.9	-45.9	173.1	-66.4	162.6	0	0	0	109.2	V588 L589 V592 P598 N599 Y604 L605 I654 L655	V588-I601 HydrophobicContact CG1-CG1 4.22Å; L589-I601 HydrophobicContact CD2-CD1 4.13Å; L589-I601 HydrophobicContact CD2-CG1 4.22Å; V592-I601 HydrophobicContact CB-CD1 4.45Å; V592-I601 HydrophobicContact CG1-CD1 4.26Å; V592-I601 HydrophobicContact CG2-CD1 4.18Å; V592-I601 HydrophobicContact CG2-CG1 3.93Å; P598-I601 WeakPolarHBondContact O-CB 3.48Å; P598-I601 PolarHBondContact O-N 3.07Å; N599-I601 VanDerWaalsContact C-N 3.28Å; N599-I601 PolarHBondContact O-N 3.25Å; I601-Y604 PolarHBondContact O-N 3.41Å; I601-L605 HydrophobicContact CG2-CD1 3.98Å; I601-L605 HydrophobicContact CG2-CG 4.17Å; I601-L605 WeakPolarHBondContact O-CB 3.36Å; I601-L605 VanDerWaalsContact O-CG 3.29Å; I601-L605 WeakPolarHBondContact O-CG 3.38Å; I601-L605 PolarHBondContact O-N 3.35Å; I601-I654 HydrophobicContact CD1-CG2 3.69Å; I601-L655 HydrophobicContact CB-CD2 4.37Å; I601-L655 HydrophobicContact CG2-CD1 4.01Å; I601-L655 HydrophobicContact CG2-CD2 4.24Å; I601-L655 HydrophobicContact CG2-CG 4.02Å
602	C	98.2	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.9	-52.4	177.3	-65.3	0	0	0	0	112.1	Y509 P598 N599 Y604 L605 F606	Y509-C602 HydrophobicContact CE1-CB 4.46Å; Y509-C602 HydrophobicContact CE2-CB 3.76Å; Y509-C602 VanDerWaalsContact CE2-SG 3.5Å; Y509-C602 WeakPolarHBondContact OH-CB 3.43Å; Y509-C602 PolarHBondContact OH-O 3.04Å; Y509-C602 VanDerWaalsContact OH-O 3.13Å; P598-C602 PolarHBondContact O-N 3.24Å; N599-C602 WeakPolarHBondContact O-CB 3.36Å; N599-C602 PolarHBondContact O-N 3.12Å; C602-Y604 VanDerWaalsContact C-N 3.28Å; C602-Y604 PolarHBondContact O-N 2.81Å; C602-L605 PolarHBondContact O-N 3.22Å; C602-F606 WeakPolarHBondContact O-CB 3.37Å; C602-F606 PolarHBondContact O-N 2.88Å
603	D	97.6	Very high	97.2	Very high	64 Å²	64	30.1 Å²	30.1	34%	0.342	16%	0.157	S	C	.	.	H	α-helix	trans	-60	-39.6	179	-68.4	-27.2	0	0	0	111.8	N533 N599 T607	N533-D603 PolarHBondContact ND2-OD1 2.59Å; N599-D603 WeakPolarHBondContact O-CB 3.27Å; N599-D603 VanDerWaalsContact O-CG 3.27Å; N599-D603 PolarHBondContact O-N 3.09Å; D603-T607 WeakPolarHBondContact O-CB 3.4Å; D603-T607 PolarHBondContact O-N 3.41Å; D603-T607 PolarHBondContact O-OG1 3.25Å
604	Y	98.2	Very high	97.4	Very high	11 Å²	11	32.1 Å²	32.1	4%	0.043	17%	0.166	C	C	.	.	H	α-helix	trans	-64.1	-48.9	174.8	169.8	-97.6	0	0	0	112.3	K581 K584 F585 V588 Y600 I601 C602 F606 T607 L608 V647	K581-Y604 HydrophobicContact CD-CD2 4.38Å; K581-Y604 HydrophobicContact CD-CE2 3.97Å; K581-Y604 HydrophobicContact CG-CE2 4.23Å; K581-Y604 WeakPolarHBondContact O-CE2 3.36Å; K581-Y604 PolarHBondContact O-OH 3.27Å; K584-Y604 HydrophobicContact CB-CE2 4.27Å; F585-Y604 HydrophobicContact CB-CE1 3.92Å; F585-Y604 WeakPolarHBondContact CB-OH 3.38Å; F585-Y604 AromaticContact CD2-CD1 3.64Å; F585-Y604 HydrophobicContact CD2-CD1 3.64Å; F585-Y604 AromaticContact CD2-CE1 3.26Å; F585-Y604 HydrophobicContact CD2-CE1 3.26Å; F585-Y604 HydrophobicContact CE2-CD1 4.2Å; F585-Y604 HydrophobicContact CE2-CE1 4.09Å; F585-Y604 AromaticContact CG-CE1 3.95Å; F585-Y604 HydrophobicContact CG-CE1 3.95Å; V588-Y604 HydrophobicContact CB-CG 4.39Å; V588-Y604 HydrophobicContact CG1-CG 4.33Å; V588-Y604 HydrophobicContact CG2-CD2 3.62Å; V588-Y604 HydrophobicContact CG2-CE2 4.34Å; V588-Y604 HydrophobicContact CG2-CG 3.77Å; Y600-Y604 VanDerWaalsContact O-CB 3.22Å; Y600-Y604 WeakPolarHBondContact O-CB 3.35Å; Y600-Y604 PolarHBondContact O-N 2.97Å; Y600-Y604 VanDerWaalsContact O-N 3.07Å; I601-Y604 PolarHBondContact O-N 3.41Å; C602-Y604 VanDerWaalsContact C-N 3.28Å; C602-Y604 PolarHBondContact O-N 2.81Å; Y604-F606 VanDerWaalsContact C-N 3.34Å; Y604-F606 PolarHBondContact O-N 2.72Å; Y604-T607 PolarHBondContact O-N 2.81Å; Y604-L608 HydrophobicContact CE1-CB 4.41Å; Y604-L608 HydrophobicContact CE1-CD2 4Å; Y604-L608 WeakPolarHBondContact O-CB 3.28Å; Y604-L608 PolarHBondContact O-N 2.64Å; Y604-V647 HydrophobicContact CE1-CG1 3.68Å
605	L	98.5	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.9	-42.6	-179.5	-70.7	-178.8	0	0	0	111.4	L538 I601 C602 L608 A609 I648 F652 L655	L538-L605 HydrophobicContact CD1-CB 4.02Å; L538-L605 HydrophobicContact CD2-CB 4.43Å; I601-L605 HydrophobicContact CG2-CD1 3.98Å; I601-L605 HydrophobicContact CG2-CG 4.17Å; I601-L605 WeakPolarHBondContact O-CB 3.36Å; I601-L605 VanDerWaalsContact O-CG 3.29Å; I601-L605 WeakPolarHBondContact O-CG 3.38Å; I601-L605 PolarHBondContact O-N 3.35Å; C602-L605 PolarHBondContact O-N 3.22Å; L605-L608 PolarHBondContact O-N 3.39Å; L605-A609 WeakPolarHBondContact O-CB 3.28Å; L605-A609 PolarHBondContact O-N 3.24Å; L605-I648 HydrophobicContact CD2-CG1 4.28Å; L605-F652 HydrophobicContact CD1-CD1 4.18Å; L605-F652 HydrophobicContact CD1-CE1 4.48Å; L605-L655 HydrophobicContact CD1-CD1 3.8Å
606	F	97.7	Very high	97.7	Very high	55 Å²	55	27.4 Å²	27.4	24%	0.241	14%	0.138	C	C	.	.	H	α-helix	trans	-60.7	-45.1	174	180	-110	0	0	0	112.4	G532 N533 Y537 C602 Y604 A609 S610	G532-F606 WeakPolarHBondContact O-CE2 3.45Å; N533-F606 HydrophobicContact CB-CD1 4.1Å; N533-F606 HydrophobicContact CB-CD2 4.03Å; N533-F606 HydrophobicContact CB-CE1 4.32Å; N533-F606 HydrophobicContact CB-CE2 4.27Å; N533-F606 HydrophobicContact CB-CG 3.95Å; N533-F606 HydrophobicContact CB-CZ 4.4Å; N533-F606 WeakPolarHBondContact OD1-CB 3.49Å; Y537-F606 AromaticContact CD1-CD2 3.84Å; Y537-F606 HydrophobicContact CD1-CD2 3.84Å; Y537-F606 AromaticContact CD1-CE2 3.89Å; Y537-F606 HydrophobicContact CD1-CE2 3.89Å; Y537-F606 AromaticContact CE1-CD2 3.73Å; Y537-F606 HydrophobicContact CE1-CD2 3.73Å; Y537-F606 AromaticContact CE1-CE2 3.7Å; Y537-F606 HydrophobicContact CE1-CE2 3.7Å; C602-F606 WeakPolarHBondContact O-CB 3.37Å; C602-F606 PolarHBondContact O-N 2.88Å; Y604-F606 VanDerWaalsContact C-N 3.34Å; Y604-F606 PolarHBondContact O-N 2.72Å; F606-A609 PolarHBondContact O-N 3.04Å; F606-S610 PolarHBondContact O-N 3.21Å; F606-S610 PolarHBondContact O-OG 3.23Å
607	T	97.3	Very high	97.6	Very high	57 Å²	57	32.4 Å²	32.4	35%	0.35	16%	0.164	S	C	.	.	H	α-helix	trans	-63.5	-42.1	175.7	-58.1	0	0	0	0	111.5	K581 D603 Y604 S610 V611	K581-T607 HydrophobicContact CD-CG2 4.24Å; D603-T607 WeakPolarHBondContact O-CB 3.4Å; D603-T607 PolarHBondContact O-N 3.41Å; D603-T607 PolarHBondContact O-OG1 3.25Å; Y604-T607 PolarHBondContact O-N 2.81Å; T607-S610 WeakPolarHBondContact O-CB 3.34Å; T607-S610 PolarHBondContact O-N 3.38Å; T607-V611 HydrophobicContact CG2-CG2 4.41Å; T607-V611 WeakPolarHBondContact O-CG2 3.47Å; T607-V611 PolarHBondContact O-N 3.25Å
608	L	98.4	Very high	97.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-45.8	178.6	178.8	65.8	0	0	0	111.2	L578 K581 I582 Y604 L605 S610 V611 F612 T644 V647 I648	L578-L608 HydrophobicContact CD1-CD1 3.95Å; K581-L608 HydrophobicContact CB-CD1 4.11Å; K581-L608 HydrophobicContact CG-CB 4.34Å; K581-L608 HydrophobicContact CG-CD1 3.76Å; I582-L608 HydrophobicContact CG1-CD1 4.17Å; Y604-L608 HydrophobicContact CE1-CB 4.41Å; Y604-L608 HydrophobicContact CE1-CD2 4Å; Y604-L608 WeakPolarHBondContact O-CB 3.28Å; Y604-L608 PolarHBondContact O-N 2.64Å; L605-L608 PolarHBondContact O-N 3.39Å; L608-S610 VanDerWaalsContact C-N 3.3Å; L608-S610 PolarHBondContact O-N 3.16Å; L608-V611 PolarHBondContact O-N 3.31Å; L608-F612 WeakPolarHBondContact O-CB 3.32Å; L608-F612 PolarHBondContact O-N 3.33Å; L608-T644 HydrophobicContact CD1-CG2 4.2Å; L608-T644 HydrophobicContact CD2-CG2 4.13Å; L608-T644 HydrophobicContact CG-CG2 4Å; L608-V647 HydrophobicContact CD2-CB 4.04Å; L608-V647 HydrophobicContact CD2-CG1 3.53Å; L608-I648 HydrophobicContact CD2-CG1 3.98Å
609	A	97.5	Very high	97.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-37.3	176	0	0	0	0	0	112.6	Y537 L538 A541 L605 F606 F612 T613	Y537-A609 HydrophobicContact CE1-CB 3.87Å; L538-A609 HydrophobicContact CD2-CB 3.66Å; A541-A609 HydrophobicContact CB-CB 4.15Å; L605-A609 WeakPolarHBondContact O-CB 3.28Å; L605-A609 PolarHBondContact O-N 3.24Å; F606-A609 PolarHBondContact O-N 3.04Å; A609-F612 PolarHBondContact O-N 2.9Å; A609-T613 PolarHBondContact O-N 3.08Å; A609-T613 PolarHBondContact O-OG1 3.4Å
610	S	96.7	Very high	97.2	Very high	45 Å²	45	42.4 Å²	42.4	32%	0.315	21%	0.207	S	C	.	.	H	α-helix	trans	-65.7	-46.1	174.8	-58.7	0	0	0	0	111.8	F606 T607 L608 F612 T613 E614	F606-S610 PolarHBondContact O-N 3.21Å; F606-S610 PolarHBondContact O-OG 3.23Å; T607-S610 WeakPolarHBondContact O-CB 3.34Å; T607-S610 PolarHBondContact O-N 3.38Å; L608-S610 VanDerWaalsContact C-N 3.3Å; L608-S610 PolarHBondContact O-N 3.16Å; S610-F612 VanDerWaalsContact C-N 3.32Å; S610-F612 PolarHBondContact O-N 2.95Å; S610-T613 PolarHBondContact O-N 3.41Å; S610-E614 PolarHBondContact O-N 3.5Å; S610-E614 VanDerWaalsContact O-N 3.13Å
611	V	97.6	Very high	97	Very high	11 Å²	11	38 Å²	38	7%	0.067	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-37.5	175.9	172.7	0	0	0	0	111.3	K577 L578 K581 T607 L608 E614 F615	K577-V611 HydrophobicContact CD-CG1 4.42Å; K577-V611 HydrophobicContact CG-CG1 4.09Å; L578-V611 HydrophobicContact CB-CG1 4.18Å; L578-V611 HydrophobicContact CD1-CG1 4.09Å; K581-V611 HydrophobicContact CB-CG1 4.39Å; K581-V611 HydrophobicContact CG-CG2 4.48Å; T607-V611 HydrophobicContact CG2-CG2 4.41Å; T607-V611 WeakPolarHBondContact O-CG2 3.47Å; T607-V611 PolarHBondContact O-N 3.25Å; L608-V611 PolarHBondContact O-N 3.31Å; V611-E614 PolarHBondContact O-N 3.38Å; V611-F615 WeakPolarHBondContact O-CB 3.43Å; V611-F615 PolarHBondContact O-N 2.81Å
612	F	98.2	Very high	96.8	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.022	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-42.8	174.2	178.3	-87.7	0	0	0	111.8	I545 I548 L578 L608 A609 S610 F615 Y616 C641 T644	I545-F612 HydrophobicContact CB-CZ 4.35Å; I545-F612 HydrophobicContact CD1-CD1 3.89Å; I545-F612 HydrophobicContact CD1-CD2 4.27Å; I545-F612 HydrophobicContact CD1-CE1 4.18Å; I545-F612 HydrophobicContact CD1-CG 3.97Å; I545-F612 HydrophobicContact CD1-CZ 4.48Å; I545-F612 HydrophobicContact CG1-CD1 3.65Å; I545-F612 HydrophobicContact CG1-CD2 4.25Å; I545-F612 HydrophobicContact CG1-CE1 3.42Å; I545-F612 VanDerWaalsContact CG1-CE1 3.42Å; I545-F612 HydrophobicContact CG1-CE2 4.03Å; I545-F612 HydrophobicContact CG1-CG 4.1Å; I545-F612 HydrophobicContact CG1-CZ 3.63Å; I545-F612 HydrophobicContact CG2-CE2 4.11Å; I545-F612 HydrophobicContact CG2-CZ 4.12Å; I548-F612 HydrophobicContact CD1-CE1 4.22Å; I548-F612 HydrophobicContact CD1-CZ 3.61Å; L578-F612 HydrophobicContact CD1-CB 4.37Å; L578-F612 HydrophobicContact CD2-CD2 4.03Å; L608-F612 WeakPolarHBondContact O-CB 3.32Å; L608-F612 PolarHBondContact O-N 3.33Å; A609-F612 PolarHBondContact O-N 2.9Å; S610-F612 VanDerWaalsContact C-N 3.32Å; S610-F612 PolarHBondContact O-N 2.95Å; F612-F615 HydrophobicContact CD2-CD1 4.03Å; F612-F615 HydrophobicContact CD2-CE1 4.49Å; F612-F615 AromaticContact CE2-CD1 3.9Å; F612-F615 HydrophobicContact CE2-CD1 3.9Å; F612-F615 AromaticContact CE2-CE1 3.97Å; F612-F615 HydrophobicContact CE2-CE1 3.97Å; F612-F615 HydrophobicContact CZ-CD1 4.47Å; F612-F615 WeakPolarHBondContact O-CB 3.32Å; F612-F615 PolarHBondContact O-N 3.39Å; F612-Y616 HydrophobicContact CE1-CD2 4.41Å; F612-Y616 HydrophobicContact CE1-CG 4.29Å; F612-Y616 HydrophobicContact CZ-CD2 4.2Å; F612-Y616 HydrophobicContact CZ-CG 4.49Å; F612-Y616 WeakPolarHBondContact O-CB 3.47Å; F612-Y616 PolarHBondContact O-N 3.36Å; F612-C641 HydrophobicContact CE2-CB 4.2Å; F612-T644 HydrophobicContact CB-CG2 4.18Å; F612-T644 HydrophobicContact CD2-CG2 3.84Å; F612-T644 HydrophobicContact CG-CG2 4.22Å
613	T	96.5	Very high	96.5	Very high	56 Å²	56	42.2 Å²	42.2	34%	0.344	21%	0.21	S	C	.	.	H	α-helix	trans	-61.1	-47	178.6	-56.2	0	0	0	0	110.5	A609 S610 F615 Y616 D617	A609-T613 PolarHBondContact O-N 3.08Å; A609-T613 PolarHBondContact O-OG1 3.4Å; S610-T613 PolarHBondContact O-N 3.41Å; T613-F615 VanDerWaalsContact C-N 3.33Å; T613-F615 PolarHBondContact O-N 2.97Å; T613-Y616 PolarHBondContact O-N 3.11Å; T613-D617 VanDerWaalsContact O-CG 3.28Å; T613-D617 PolarHBondContact O-N 2.84Å
614	E	96.6	Very high	96.2	Very high	53 Å²	53	44.4 Å²	44.4	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-42.5	174.4	-175.8	-173.9	174.1	0	0	112	K574 K577 S610 V611 N618	K574-E614 HydrophobicContact CD-CG 3.98Å; K574-E614 VanDerWaalsContact CD-OE1 3.27Å; K574-E614 WeakPolarHBondContact CD-OE1 3.49Å; K574-E614 WeakPolarHBondContact CE-OE1 3.32Å; K574-E614 IonicContact NZ-OE1 3.79Å; K574-E614 PolarHBondContact NZ-OE1 3.31Å; K577-E614 IonicContact NZ-OE1 3.9Å; K577-E614 PolarHBondContact NZ-OE1 3.39Å; K577-E614 IonicContact NZ-OE2 3.38Å; K577-E614 PolarHBondContact NZ-OE2 3.43Å; S610-E614 PolarHBondContact O-N 3.5Å; S610-E614 VanDerWaalsContact O-N 3.13Å; V611-E614 PolarHBondContact O-N 3.38Å; E614-N618 PolarHBondContact O-N 3.16Å; E614-N618 PolarHBondContact O-ND2 2.77Å
615	F	98.1	Very high	95.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-51.4	173.8	155.6	-101.1	0	0	0	111.5	K574 E575 L578 V611 F612 T613 D617 N618 C619 R637 L640	K574-F615 HydrophobicContact CB-CB 4.4Å; E575-F615 HydrophobicContact CG-CD2 4.07Å; E575-F615 HydrophobicContact CG-CE2 3.69Å; L578-F615 HydrophobicContact CB-CB 4.38Å; L578-F615 HydrophobicContact CD2-CB 3.97Å; L578-F615 HydrophobicContact CD2-CD1 3.45Å; L578-F615 VanDerWaalsContact CD2-CD1 3.45Å; L578-F615 HydrophobicContact CD2-CD2 4.18Å; L578-F615 HydrophobicContact CD2-CE1 3.92Å; L578-F615 HydrophobicContact CD2-CG 3.58Å; L578-F615 HydrophobicContact CD2-CZ 4.46Å; V611-F615 WeakPolarHBondContact O-CB 3.43Å; V611-F615 PolarHBondContact O-N 2.81Å; F612-F615 HydrophobicContact CD2-CD1 4.03Å; F612-F615 HydrophobicContact CD2-CE1 4.49Å; F612-F615 AromaticContact CE2-CD1 3.9Å; F612-F615 HydrophobicContact CE2-CD1 3.9Å; F612-F615 AromaticContact CE2-CE1 3.97Å; F612-F615 HydrophobicContact CE2-CE1 3.97Å; F612-F615 HydrophobicContact CZ-CD1 4.47Å; F612-F615 WeakPolarHBondContact O-CB 3.32Å; F612-F615 PolarHBondContact O-N 3.39Å; T613-F615 VanDerWaalsContact C-N 3.33Å; T613-F615 PolarHBondContact O-N 2.97Å; F615-D617 VanDerWaalsContact C-N 3.3Å; F615-D617 PolarHBondContact O-N 3.41Å; F615-N618 PolarHBondContact O-N 3.12Å; F615-N618 VanDerWaalsContact O-N 3.14Å; F615-C619 HydrophobicContact CD2-CB 3.59Å; F615-C619 HydrophobicContact CE2-CB 3.43Å; F615-C619 VanDerWaalsContact CE2-CB 3.43Å; F615-C619 HydrophobicContact CG-CB 4.49Å; F615-C619 HydrophobicContact CZ-CB 4.25Å; F615-C619 WeakPolarHBondContact O-CB 3.39Å; F615-C619 PolarHBondContact O-N 2.58Å; F615-R637 HydrophobicContact CE2-CB 4.45Å; F615-R637 HydrophobicContact CE2-CG 4.1Å; F615-R637 HydrophobicContact CZ-CB 3.88Å; F615-R637 HydrophobicContact CZ-CG 4.03Å; F615-L640 HydrophobicContact CE2-CD1 4.14Å; F615-L640 HydrophobicContact CZ-CB 4.35Å; F615-L640 HydrophobicContact CZ-CD1 4.32Å
616	Y	96.6	Very high	95.4	Very high	78 Å²	78	51.1 Å²	51.1	31%	0.306	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-36.9	-175.3	-173.8	-100.1	0	0	0	112.4	I548 F612 T613 N618 C621	I548-Y616 HydrophobicContact CD1-CD2 3.68Å; I548-Y616 HydrophobicContact CD1-CE2 3.47Å; I548-Y616 VanDerWaalsContact CD1-CE2 3.47Å; I548-Y616 HydrophobicContact CG1-CE2 3.94Å; I548-Y616 HydrophobicContact CG2-CE2 4.37Å; F612-Y616 HydrophobicContact CE1-CD2 4.41Å; F612-Y616 HydrophobicContact CE1-CG 4.29Å; F612-Y616 HydrophobicContact CZ-CD2 4.2Å; F612-Y616 HydrophobicContact CZ-CG 4.49Å; F612-Y616 WeakPolarHBondContact O-CB 3.47Å; F612-Y616 PolarHBondContact O-N 3.36Å; T613-Y616 PolarHBondContact O-N 3.11Å; Y616-N618 VanDerWaalsContact C-N 3.3Å; Y616-N618 PolarHBondContact O-N 2.82Å; Y616-C621 HydrophobicContact CE2-CB 4.48Å
617	D	95.8	Very high	95	Very high	109 Å²	109	55.6 Å²	55.6	58%	0.583	29%	0.289	S	S	*	.	H	α-helix	trans	-69.9	-25.9	178.4	-68.9	-16.5	0	0	0	112.9	T613 F615	T613-D617 VanDerWaalsContact O-CG 3.28Å; T613-D617 PolarHBondContact O-N 2.84Å; F615-D617 VanDerWaalsContact C-N 3.3Å; F615-D617 PolarHBondContact O-N 3.41Å
618	N	96.5	Very high	94.4	Very high	85 Å²	85	54.8 Å²	54.8	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-107.2	-17.5	-175.7	-70	-86.8	0	0	0	113.8	K574 E614 F615 Y616	K574-N618 HydrophobicContact CG-CB 4.1Å; E614-N618 PolarHBondContact O-N 3.16Å; E614-N618 PolarHBondContact O-ND2 2.77Å; F615-N618 PolarHBondContact O-N 3.12Å; F615-N618 VanDerWaalsContact O-N 3.14Å; Y616-N618 VanDerWaalsContact C-N 3.3Å; Y616-N618 PolarHBondContact O-N 2.82Å
619	C	95.9	Very high	94	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-125.4	95.2	-172.1	-62.6	0	0	0	0	110.4	H572 F615 C621	H572-C619 PolarHBondContact ND1-SG 3.36Å; F615-C619 HydrophobicContact CD2-CB 3.59Å; F615-C619 HydrophobicContact CE2-CB 3.43Å; F615-C619 VanDerWaalsContact CE2-CB 3.43Å; F615-C619 HydrophobicContact CG-CB 4.49Å; F615-C619 HydrophobicContact CZ-CB 4.25Å; F615-C619 WeakPolarHBondContact O-CB 3.39Å; F615-C619 PolarHBondContact O-N 2.58Å; C619-C621 PolarHBondContact O-N 3.31Å
620	Y	93.2	Very high	93.6	Very high	164 Å²	164	61.4 Å²	61.4	64%	0.643	33%	0.33	S	S	*	.			trans	-53.7	110.3	177.9	-70.5	-78.5	0	0	0	112.2	N634 R637	Y620-N634 PolarHBondContact O-ND2 3.45Å; Y620-R637 VanDerWaalsContact N-NH1 3.19Å; Y620-R637 WeakPolarHBondContact O-CD 3.3Å; Y620-R637 PolarHBondContact O-NH1 3.01Å
621	C	94.6	Very high	93.4	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.02	34%	0.343	C	S	.	.	S	Bend	trans	-77.8	-38.7	173.6	-64.6	0	0	0	0	111.3	I548 Y616 C619 N634 R637 L638	I548-C621 HydrophobicContact CG2-CB 4.02Å; Y616-C621 HydrophobicContact CE2-CB 4.48Å; C619-C621 PolarHBondContact O-N 3.31Å; C621-N634 PolarHBondContact O-N 3.08Å; C621-R637 HydrophobicContact CB-CB 4.44Å; C621-L638 HydrophobicContact CB-CD2 3.99Å
622	I	93.8	Very high	93.2	Very high	28 Å²	28	69.1 Å²	69.1	14%	0.144	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.9	-179.8	-51.7	166.5	0	0	0	107.2	I548 N551 A552 K624 I630	I548-I622 HydrophobicContact CG2-CD1 4.04Å; I548-I622 HydrophobicContact CG2-CG1 4.48Å; I548-I622 WeakPolarHBondContact O-CD1 3.14Å; N551-I622 HydrophobicContact CB-CD1 4.43Å; A552-I622 HydrophobicContact CB-CD1 3.63Å; A552-I622 HydrophobicContact CB-CG1 3.96Å; I622-K624 HydrophobicContact CG2-CG 4.11Å; I622-I630 HydrophobicContact CG2-CD1 4.5Å; I622-I630 HydrophobicContact CG2-CG1 4.05Å; I622-I630 HydrophobicContact CG2-CG2 3.98Å
623	E	92.2	Very high	93	Very high	61 Å²	61	70.4 Å²	70.4	29%	0.285	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.8	175	-61.8	168.4	-133.9	0	0	107.7	L631 K632 N634	E623-L631 PolarHBondContact O-N 3.4Å; E623-K632 HydrophobicContact CB-CB 4.12Å; E623-K632 HydrophobicContact CG-CB 4.47Å; E623-K632 PolarHBondContact N-O 3.38Å; E623-K632 PolarHBondContact O-N 3.22Å; E623-K632 WeakPolarHBondContact OE1-CD 3.49Å; E623-K632 IonicContact OE1-NZ 3.33Å; E623-K632 PolarHBondContact OE1-NZ 2.8Å; E623-K632 VanDerWaalsContact OE1-NZ 3.11Å; E623-N634 PolarHBondContact OE1-ND2 2.87Å
624	K	90.3	Very high	92.9	Very high	111 Å²	111	68.9 Å²	68.9	48%	0.483	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149.6	-179.9	-66	-179.3	176.1	-171.8	0	110.3	I622 T629 I630	I622-K624 HydrophobicContact CG2-CG 4.11Å; K624-T629 CarbonylContact C-O 3.51Å; K624-T629 VanDerWaalsContact CA-O 3.23Å; K624-T629 WeakPolarHBondContact CA-O 3.33Å; K624-I630 HydrophobicContact CG-CG1 4.38Å
625	N	89.8	Confident	92.8	Very high	50 Å²	50	70 Å²	70	27%	0.267	36%	0.362	S	S	.	.			trans	-77.8	178.9	168	68	2	0	0	0	111.4	E627 G628 T629 L631	N625-E627 PolarHBondContact ND2-OE2 3.41Å; N625-E627 PolarHBondContact O-N 3.22Å; N625-E627 PolarHBondContact OD1-N 2.9Å; N625-E627 PolarHBondContact OD1-OE2 3.35Å; N625-G628 PolarHBondContact O-N 3.22Å; N625-G628 PolarHBondContact OD1-N 3.23Å; N625-G628 VanDerWaalsContact OD1-N 3.07Å; N625-T629 PolarHBondContact N-O 2.97Å; N625-T629 WeakPolarHBondContact OD1-CA 3.5Å; N625-T629 VanDerWaalsContact OD1-CB 3.3Å; N625-T629 WeakPolarHBondContact OD1-CB 3.45Å; N625-T629 PolarHBondContact OD1-N 2.94Å; N625-T629 PolarHBondContact OD1-O 3.42Å; N625-L631 HydrophobicContact CB-CD1 3.96Å; N625-L631 HydrophobicContact CB-CD2 4.08Å; N625-L631 HydrophobicContact CB-CG 4.04Å
626	A	89.7	Confident	92.6	Very high	102 Å²	102	71.6 Å²	71.6	84%	0.843	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.7	179.3	0	0	0	0	0	112.8	G628	A626-G628 VanDerWaalsContact C-N 3.25Å; A626-G628 PolarHBondContact O-N 3.34Å
627	E	89.2	Confident	92.6	Very high	149 Å²	149	69.5 Å²	69.5	70%	0.696	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.4	176.9	-57.7	73	-156.2	0	0	113.2	N625 T629	N625-E627 PolarHBondContact ND2-OE2 3.41Å; N625-E627 PolarHBondContact O-N 3.22Å; N625-E627 PolarHBondContact OD1-N 2.9Å; N625-E627 PolarHBondContact OD1-OE2 3.35Å; E627-T629 VanDerWaalsContact C-N 3.31Å; E627-T629 PolarHBondContact O-N 3.34Å
628	G	85.6	Confident	92.6	Very high	39 Å²	39	64.3 Å²	64.3	40%	0.402	34%	0.335	S	S	.	.			trans	80.9	4.5	179.6	0	0	0	0	0	115.2	N625 A626	N625-G628 PolarHBondContact O-N 3.22Å; N625-G628 PolarHBondContact OD1-N 3.23Å; N625-G628 VanDerWaalsContact OD1-N 3.07Å; A626-G628 VanDerWaalsContact C-N 3.25Å; A626-G628 PolarHBondContact O-N 3.34Å
629	T	89.4	Confident	92.6	Very high	84 Å²	84	60.4 Å²	60.4	52%	0.515	31%	0.313	S	S	.	.			trans	-71.3	134.5	174.5	-51.4	0	0	0	0	109.8	K624 N625 E627 L631	K624-T629 CarbonylContact C-O 3.51Å; K624-T629 VanDerWaalsContact CA-O 3.23Å; K624-T629 WeakPolarHBondContact CA-O 3.33Å; N625-T629 PolarHBondContact N-O 2.97Å; N625-T629 WeakPolarHBondContact OD1-CA 3.5Å; N625-T629 VanDerWaalsContact OD1-CB 3.3Å; N625-T629 WeakPolarHBondContact OD1-CB 3.45Å; N625-T629 PolarHBondContact OD1-N 2.94Å; N625-T629 PolarHBondContact OD1-O 3.42Å; E627-T629 VanDerWaalsContact C-N 3.31Å; E627-T629 PolarHBondContact O-N 3.34Å; T629-L631 PolarHBondContact O-N 3.37Å
630	I	90.3	Very high	92.7	Very high	56 Å²	56	60.6 Å²	60.6	29%	0.287	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	117.7	179.1	-61.4	170.1	0	0	0	109.2	I622 K624 V633	I622-I630 HydrophobicContact CG2-CD1 4.5Å; I622-I630 HydrophobicContact CG2-CG1 4.05Å; I622-I630 HydrophobicContact CG2-CG2 3.98Å; K624-I630 HydrophobicContact CG-CG1 4.38Å; I630-V633 HydrophobicContact CG2-CG2 3.5Å
631	L	90.8	Very high	92.9	Very high	115 Å²	115	52.8 Å²	52.8	60%	0.602	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	-42.4	175.2	-66.5	176.2	0	0	0	111.5	E623 N625 T629	E623-L631 PolarHBondContact O-N 3.4Å; N625-L631 HydrophobicContact CB-CD1 3.96Å; N625-L631 HydrophobicContact CB-CD2 4.08Å; N625-L631 HydrophobicContact CB-CG 4.04Å; T629-L631 PolarHBondContact O-N 3.37Å
632	K	93.2	Very high	93.1	Very high	103 Å²	103	53.3 Å²	53.3	45%	0.448	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	142	-175.9	-178.1	175.3	163.5	-135.7	0	110.7	E623 N634	E623-K632 HydrophobicContact CB-CB 4.12Å; E623-K632 HydrophobicContact CG-CB 4.47Å; E623-K632 PolarHBondContact N-O 3.38Å; E623-K632 PolarHBondContact O-N 3.22Å; E623-K632 WeakPolarHBondContact OE1-CD 3.49Å; E623-K632 IonicContact OE1-NZ 3.33Å; E623-K632 PolarHBondContact OE1-NZ 2.8Å; E623-K632 VanDerWaalsContact OE1-NZ 3.11Å; K632-N634 WeakPolarHBondContact CE-OD1 3.41Å; K632-N634 PolarHBondContact NZ-OD1 3.39Å
633	V	93.8	Very high	93.2	Very high	32 Å²	32	52 Å²	52	19%	0.194	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.1	173.5	-177.1	0	0	0	0	108.4	A552 V554 I630 Y635 L638	A552-V633 HydrophobicContact CB-CG1 4.22Å; A552-V633 HydrophobicContact CB-CG2 4.34Å; V554-V633 HydrophobicContact CG2-CG1 4.03Å; I630-V633 HydrophobicContact CG2-CG2 3.5Å; V633-Y635 HydrophobicContact CB-CD2 4.25Å; V633-Y635 HydrophobicContact CB-CE2 3.97Å; V633-Y635 HydrophobicContact CG1-CD2 4Å; V633-Y635 HydrophobicContact CG1-CE2 3.92Å; V633-Y635 PolarHBondContact O-N 3.19Å; V633-L638 HydrophobicContact CG1-CD1 3.31Å; V633-L638 HydrophobicContact CG1-CG 4.09Å
634	N	95	Very high	93.5	Very high	25 Å²	25	49 Å²	49	13%	0.134	27%	0.266	C	S	.	.			trans	-93.1	94.6	179.6	-67.7	-66.1	0	0	0	109.2	Y620 C621 E623 K632 N636 R637 L638	Y620-N634 PolarHBondContact O-ND2 3.45Å; C621-N634 PolarHBondContact O-N 3.08Å; E623-N634 PolarHBondContact OE1-ND2 2.87Å; K632-N634 WeakPolarHBondContact CE-OD1 3.41Å; K632-N634 PolarHBondContact NZ-OD1 3.39Å; N634-N636 PolarHBondContact O-N 3.39Å; N634-R637 HydrophobicContact CB-CB 4.14Å; N634-R637 HydrophobicContact CB-CG 4.17Å; N634-R637 WeakPolarHBondContact O-CB 3.34Å; N634-R637 PolarHBondContact O-N 3.12Å; N634-R637 VanDerWaalsContact O-N 3.11Å; N634-L638 PolarHBondContact O-N 3.34Å
635	Y	95.1	Very high	93.9	Very high	75 Å²	75	43.8 Å²	43.8	29%	0.294	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-39.6	-173.5	-81.6	-120.1	0	0	0	112.8	V554 L559 F562 V633 R637 L638 I639	V554-Y635 HydrophobicContact CG1-CE1 4.05Å; L559-Y635 HydrophobicContact CD2-CD1 3.65Å; L559-Y635 HydrophobicContact CD2-CE1 4.22Å; L559-Y635 HydrophobicContact CD2-CG 4.17Å; F562-Y635 HydrophobicContact CB-CD1 3.78Å; F562-Y635 HydrophobicContact CB-CE1 4.47Å; F562-Y635 HydrophobicContact CD1-CD1 4.4Å; F562-Y635 HydrophobicContact CD1-CG 4.49Å; F562-Y635 AromaticContact CD2-CD1 3.83Å; F562-Y635 HydrophobicContact CD2-CD1 3.83Å; F562-Y635 AromaticContact CD2-CG 3.96Å; F562-Y635 HydrophobicContact CD2-CG 3.96Å; F562-Y635 HydrophobicContact CE2-CG 4.26Å; F562-Y635 AromaticContact CG-CD1 3.74Å; F562-Y635 HydrophobicContact CG-CD1 3.74Å; F562-Y635 HydrophobicContact CG-CG 4.09Å; V633-Y635 HydrophobicContact CB-CD2 4.25Å; V633-Y635 HydrophobicContact CB-CE2 3.97Å; V633-Y635 HydrophobicContact CG1-CD2 4Å; V633-Y635 HydrophobicContact CG1-CE2 3.92Å; V633-Y635 PolarHBondContact O-N 3.19Å; Y635-R637 PolarHBondContact O-N 3.45Å; Y635-L638 PolarHBondContact O-N 3.18Å; Y635-L638 VanDerWaalsContact O-N 3.14Å; Y635-I639 WeakPolarHBondContact O-CG1 3.49Å; Y635-I639 PolarHBondContact O-N 3.38Å
636	N	94.3	Very high	94.2	Very high	34 Å²	34	42 Å²	42	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-54.9	-42.6	175.2	-57.5	2.3	0	0	0	111.6	F562 V568 T569 N634 I639 L640	F562-N636 WeakPolarHBondContact CE1-OD1 3.38Å; F562-N636 WeakPolarHBondContact CZ-OD1 3.35Å; V568-N636 HydrophobicContact CG1-CB 4.01Å; T569-N636 PolarHBondContact N-ND2 3.43Å; T569-N636 PolarHBondContact O-ND2 3.22Å; N634-N636 PolarHBondContact O-N 3.39Å; N636-I639 PolarHBondContact O-N 3.37Å; N636-L640 PolarHBondContact O-N 3.13Å
637	R	96.1	Very high	94.6	Very high	35 Å²	35	37.2 Å²	37.2	13%	0.132	19%	0.193	C	C	.	.	H	α-helix	trans	-72.4	-38	179.7	-69.3	178.6	179.2	166.2	-2.1	112	E575 F615 Y620 C621 N634 Y635 I639 L640 C641	E575-R637 IonicContact OE1-CZ 3.39Å; E575-R637 IonicContact OE1-NE 3.68Å; E575-R637 PolarHBondContact OE1-NE 2.94Å; E575-R637 IonicContact OE1-NH2 2.67Å; E575-R637 PolarHBondContact OE1-NH2 2.95Å; F615-R637 HydrophobicContact CE2-CB 4.45Å; F615-R637 HydrophobicContact CE2-CG 4.1Å; F615-R637 HydrophobicContact CZ-CB 3.88Å; F615-R637 HydrophobicContact CZ-CG 4.03Å; Y620-R637 VanDerWaalsContact N-NH1 3.19Å; Y620-R637 WeakPolarHBondContact O-CD 3.3Å; Y620-R637 PolarHBondContact O-NH1 3.01Å; C621-R637 HydrophobicContact CB-CB 4.44Å; N634-R637 HydrophobicContact CB-CB 4.14Å; N634-R637 HydrophobicContact CB-CG 4.17Å; N634-R637 WeakPolarHBondContact O-CB 3.34Å; N634-R637 PolarHBondContact O-N 3.12Å; N634-R637 VanDerWaalsContact O-N 3.11Å; Y635-R637 PolarHBondContact O-N 3.45Å; R637-I639 VanDerWaalsContact C-N 3.32Å; R637-I639 PolarHBondContact O-N 3.48Å; R637-L640 WeakPolarHBondContact O-CB 3.32Å; R637-L640 PolarHBondContact O-N 3.5Å; R637-C641 PolarHBondContact O-N 3.4Å; R637-C641 PolarHBondContact O-SG 2.86Å
638	L	96.7	Very high	95	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-36.5	173.9	-68.7	-168.8	0	0	0	112.4	I548 A552 V554 L559 C621 V633 N634 Y635 L640 C641 E642	I548-L638 HydrophobicContact CG2-CD2 3.57Å; A552-L638 HydrophobicContact CB-CD1 4.11Å; V554-L638 HydrophobicContact CB-CD1 4.05Å; V554-L638 HydrophobicContact CG1-CD1 4.24Å; V554-L638 HydrophobicContact CG2-CD1 4.05Å; L559-L638 HydrophobicContact CD1-CB 4.14Å; L559-L638 HydrophobicContact CD2-CB 3.73Å; L559-L638 HydrophobicContact CD2-CD1 4.24Å; C621-L638 HydrophobicContact CB-CD2 3.99Å; V633-L638 HydrophobicContact CG1-CD1 3.31Å; V633-L638 HydrophobicContact CG1-CG 4.09Å; N634-L638 PolarHBondContact O-N 3.34Å; Y635-L638 PolarHBondContact O-N 3.18Å; Y635-L638 VanDerWaalsContact O-N 3.14Å; L638-L640 VanDerWaalsContact C-N 3.33Å; L638-C641 WeakPolarHBondContact O-CB 3.42Å; L638-C641 PolarHBondContact O-N 2.93Å; L638-E642 PolarHBondContact O-N 3.37Å
639	I	96.6	Very high	95.6	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-44.7	172.3	-68.6	164.1	0	0	0	110.4	L181 F184 L559 F562 A563 V568 Y635 N636 R637 C641 E642 V643	L181-I639 HydrophobicContact CD2-CD1 4.38Å; L181-I639 HydrophobicContact CD2-CG2 3.84Å; F184-I639 HydrophobicContact CB-CG2 4.09Å; F184-I639 HydrophobicContact CD1-CG1 4.43Å; F184-I639 HydrophobicContact CD1-CG2 3.88Å; F184-I639 HydrophobicContact CD2-CG2 4.26Å; F184-I639 HydrophobicContact CE1-CG1 4.17Å; F184-I639 HydrophobicContact CE1-CG2 4.42Å; F184-I639 HydrophobicContact CG-CG2 3.79Å; F184-I639 HydrophobicContact CZ-CG1 4.45Å; L559-I639 HydrophobicContact CB-CG1 4.2Å; L559-I639 HydrophobicContact CD2-CG1 4.26Å; F562-I639 HydrophobicContact CD1-CD1 4.05Å; A563-I639 HydrophobicContact CB-CD1 4.02Å; V568-I639 HydrophobicContact CG2-CD1 4.37Å; Y635-I639 WeakPolarHBondContact O-CG1 3.49Å; Y635-I639 PolarHBondContact O-N 3.38Å; N636-I639 PolarHBondContact O-N 3.37Å; R637-I639 VanDerWaalsContact C-N 3.32Å; R637-I639 PolarHBondContact O-N 3.48Å; I639-C641 VanDerWaalsContact C-N 3.3Å; I639-C641 PolarHBondContact O-N 2.81Å; I639-E642 PolarHBondContact O-N 2.94Å; I639-V643 WeakPolarHBondContact O-CG1 3.41Å; I639-V643 PolarHBondContact O-N 2.99Å
640	L	97.6	Very high	96	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-60.6	-38.1	174.7	-67.2	178.2	0	0	0	112.3	V180 L570 E575 L578 A579 I582 F615 N636 R637 L638 V643 T644	V180-L640 HydrophobicContact CG1-CD2 4.07Å; L570-L640 HydrophobicContact CD2-CD1 4.09Å; E575-L640 HydrophobicContact CB-CD1 3.99Å; E575-L640 HydrophobicContact CG-CD1 4.13Å; L578-L640 HydrophobicContact CD2-CB 4.07Å; A579-L640 HydrophobicContact CB-CD2 4.38Å; I582-L640 HydrophobicContact CD1-CD2 4.13Å; F615-L640 HydrophobicContact CE2-CD1 4.14Å; F615-L640 HydrophobicContact CZ-CB 4.35Å; F615-L640 HydrophobicContact CZ-CD1 4.32Å; N636-L640 PolarHBondContact O-N 3.13Å; R637-L640 WeakPolarHBondContact O-CB 3.32Å; R637-L640 PolarHBondContact O-N 3.5Å; L638-L640 VanDerWaalsContact C-N 3.33Å; L640-V643 WeakPolarHBondContact O-CG1 3.43Å; L640-T644 VanDerWaalsContact O-CB 3.28Å; L640-T644 WeakPolarHBondContact O-CB 3.27Å; L640-T644 PolarHBondContact O-N 2.92Å; L640-T644 VanDerWaalsContact O-N 3.09Å; L640-T644 PolarHBondContact O-OG1 3.2Å
641	C	97.8	Very high	96.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-53	172.5	-63.2	0	0	0	0	111.5	I545 I548 F612 R637 L638 I639 V643 T644 A645	I545-C641 HydrophobicContact CG2-CB 4.03Å; I545-C641 WeakPolarHBondContact CG2-O 3.33Å; I548-C641 HydrophobicContact CD1-CB 4.49Å; F612-C641 HydrophobicContact CE2-CB 4.2Å; R637-C641 PolarHBondContact O-N 3.4Å; R637-C641 PolarHBondContact O-SG 2.86Å; L638-C641 WeakPolarHBondContact O-CB 3.42Å; L638-C641 PolarHBondContact O-N 2.93Å; I639-C641 VanDerWaalsContact C-N 3.3Å; I639-C641 PolarHBondContact O-N 2.81Å; C641-V643 PolarHBondContact O-N 3.15Å; C641-T644 WeakPolarHBondContact O-CB 3.46Å; C641-T644 PolarHBondContact O-N 3.37Å; C641-A645 PolarHBondContact O-N 3.32Å
642	E	97.1	Very high	96.8	Very high	14 Å²	14	18.1 Å²	18.1	7%	0.065	9%	0.089	C	C	.	.	H	α-helix	trans	-62.5	-46.1	-176	-73.4	-57	126.8	0	0	112.6	F184 R546 A549 L559 L638 I639 T644 A645 D646	F184-E642 HydrophobicContact CD2-CB 3.98Å; F184-E642 HydrophobicContact CE2-CB 3.67Å; F184-E642 HydrophobicContact CE2-CG 4.26Å; R546-E642 IonicContact CZ-OE2 2.59Å; R546-E642 IonicContact NH1-OE2 2.83Å; R546-E642 PolarHBondContact NH1-OE2 2.79Å; A549-E642 WeakPolarHBondContact CB-OE1 3.45Å; L559-E642 HydrophobicContact CD1-CG 3.69Å; L638-E642 PolarHBondContact O-N 3.37Å; I639-E642 PolarHBondContact O-N 2.94Å; E642-T644 VanDerWaalsContact C-N 3.3Å; E642-T644 PolarHBondContact O-N 3.49Å; E642-A645 WeakPolarHBondContact O-CB 3.31Å; E642-A645 PolarHBondContact O-N 2.96Å; E642-D646 VanDerWaalsContact O-CG 3.27Å; E642-D646 PolarHBondContact O-N 2.97Å
643	V	97.3	Very high	97	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.2	-32.3	178.4	73.3	0	0	0	0	111.8	V180 M183 F184 I188 I582 I639 L640 C641 D646 V647	V180-V643 HydrophobicContact CG1-CG1 3.88Å; M183-V643 HydrophobicContact CB-CG2 3.84Å; F184-V643 HydrophobicContact CB-CB 4.16Å; F184-V643 HydrophobicContact CB-CG2 4.28Å; I188-V643 HydrophobicContact CD1-CG2 4.14Å; I582-V643 HydrophobicContact CD1-CG1 3.6Å; I582-V643 HydrophobicContact CG1-CG1 4.34Å; I582-V643 HydrophobicContact CG2-CG1 4.2Å; I582-V643 HydrophobicContact CG2-CG2 3.99Å; I639-V643 WeakPolarHBondContact O-CG1 3.41Å; I639-V643 PolarHBondContact O-N 2.99Å; L640-V643 WeakPolarHBondContact O-CG1 3.43Å; C641-V643 PolarHBondContact O-N 3.15Å; V643-D646 PolarHBondContact O-N 3.31Å; V643-V647 WeakPolarHBondContact O-CG2 3.22Å; V643-V647 PolarHBondContact O-N 2.98Å
644	T	98.3	Very high	97.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63	-46	172.4	-60.4	0	0	0	0	110.6	I545 L608 F612 L640 C641 E642 D646 V647 I648	I545-T644 HydrophobicContact CD1-CG2 4.03Å; L608-T644 HydrophobicContact CD1-CG2 4.2Å; L608-T644 HydrophobicContact CD2-CG2 4.13Å; L608-T644 HydrophobicContact CG-CG2 4Å; F612-T644 HydrophobicContact CB-CG2 4.18Å; F612-T644 HydrophobicContact CD2-CG2 3.84Å; F612-T644 HydrophobicContact CG-CG2 4.22Å; L640-T644 VanDerWaalsContact O-CB 3.28Å; L640-T644 WeakPolarHBondContact O-CB 3.27Å; L640-T644 PolarHBondContact O-N 2.92Å; L640-T644 VanDerWaalsContact O-N 3.09Å; L640-T644 PolarHBondContact O-OG1 3.2Å; C641-T644 WeakPolarHBondContact O-CB 3.46Å; C641-T644 PolarHBondContact O-N 3.37Å; E642-T644 VanDerWaalsContact C-N 3.3Å; E642-T644 PolarHBondContact O-N 3.49Å; T644-D646 VanDerWaalsContact C-N 3.33Å; T644-D646 PolarHBondContact O-N 2.85Å; T644-V647 PolarHBondContact O-N 3.3Å; T644-I648 HydrophobicContact CG2-CD1 4.09Å; T644-I648 WeakPolarHBondContact O-CG1 3.44Å; T644-I648 PolarHBondContact O-N 2.97Å
645	A	97.5	Very high	97.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.1	-40.2	175.7	0	0	0	0	0	111.9	Y542 I545 R546 C641 E642 V647 I648 A649	Y542-A645 HydrophobicContact CD2-CB 4.22Å; Y542-A645 HydrophobicContact CE2-CB 4Å; Y542-A645 WeakPolarHBondContact CE2-O 3.4Å; I545-A645 HydrophobicContact CB-CB 4.33Å; I545-A645 HydrophobicContact CG2-CB 3.77Å; R546-A645 HydrophobicContact CG-CB 4.06Å; C641-A645 PolarHBondContact O-N 3.32Å; E642-A645 WeakPolarHBondContact O-CB 3.31Å; E642-A645 PolarHBondContact O-N 2.96Å; A645-V647 PolarHBondContact O-N 3.44Å; A645-I648 PolarHBondContact O-N 2.94Å; A645-A649 WeakPolarHBondContact O-CB 3.34Å; A645-A649 PolarHBondContact O-N 3.06Å
646	D	97.3	Very high	97.5	Very high	14 Å²	14	11.2 Å²	11.2	8%	0.075	6%	0.062	C	C	.	.	H	α-helix	trans	-63.4	-40.1	176.8	-67.5	-24	0	0	0	112.4	I188 R546 R556 E642 V643 T644 A649 T650	I188-D646 HydrophobicContact CD1-CB 4.13Å; I188-D646 HydrophobicContact CG1-CB 4.08Å; R546-D646 IonicContact CZ-OD1 2.87Å; R546-D646 IonicContact NH1-OD1 3.74Å; R546-D646 PolarHBondContact NH1-OD1 2.7Å; R546-D646 IonicContact NH2-OD1 3.95Å; R546-D646 PolarHBondContact NH2-OD1 3.28Å; R556-D646 IonicContact CZ-OD1 2.57Å; R556-D646 IonicContact CZ-OD2 2.82Å; R556-D646 VanDerWaalsContact CZ-OD2 3.28Å; R556-D646 IonicContact NH1-OD1 3.68Å; R556-D646 PolarHBondContact NH1-OD1 3.45Å; R556-D646 IonicContact NH1-OD2 3.13Å; R556-D646 PolarHBondContact NH1-OD2 3.37Å; R556-D646 IonicContact NH2-OD1 2.68Å; R556-D646 IonicContact NH2-OD2 3.8Å; R556-D646 PolarHBondContact NH2-OD2 2.87Å; E642-D646 VanDerWaalsContact O-CG 3.27Å; E642-D646 PolarHBondContact O-N 2.97Å; V643-D646 PolarHBondContact O-N 3.31Å; T644-D646 VanDerWaalsContact C-N 3.33Å; T644-D646 PolarHBondContact O-N 2.85Å; D646-A649 PolarHBondContact O-N 3.31Å; D646-T650 WeakPolarHBondContact O-CB 3.43Å; D646-T650 PolarHBondContact O-N 3.02Å; D646-T650 PolarHBondContact O-OG1 3.42Å
647	V	98.1	Very high	97.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-64.2	-44.7	174	170.1	0	0	0	0	111.1	M183 I188 I582 F585 Y604 L608 V643 T644 A645 T650 G651	M183-V647 HydrophobicContact CE-CG2 3.85Å; I188-V647 HydrophobicContact CD1-CG2 3.6Å; I188-V647 HydrophobicContact CG1-CG2 4.11Å; I582-V647 HydrophobicContact CG2-CG2 4.14Å; F585-V647 HydrophobicContact CB-CG1 3.91Å; F585-V647 HydrophobicContact CD1-CG1 4.01Å; F585-V647 HydrophobicContact CD2-CG1 3.91Å; F585-V647 HydrophobicContact CE1-CG1 4.48Å; F585-V647 HydrophobicContact CE2-CG1 4.37Å; F585-V647 HydrophobicContact CG-CG1 3.67Å; Y604-V647 HydrophobicContact CE1-CG1 3.68Å; L608-V647 HydrophobicContact CD2-CB 4.04Å; L608-V647 HydrophobicContact CD2-CG1 3.53Å; V643-V647 WeakPolarHBondContact O-CG2 3.22Å; V643-V647 PolarHBondContact O-N 2.98Å; T644-V647 PolarHBondContact O-N 3.3Å; A645-V647 PolarHBondContact O-N 3.44Å; V647-T650 PolarHBondContact O-N 3Å; V647-G651 PolarHBondContact O-N 3.01Å
648	I	98.1	Very high	97.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.9	-45.4	176.7	-66.8	168.5	0	0	0	110.7	Y542 I545 L605 L608 T644 A645 T650 G651 F652	Y542-I648 HydrophobicContact CD2-CB 4.21Å; Y542-I648 HydrophobicContact CD2-CG2 3.97Å; Y542-I648 HydrophobicContact CG-CG2 4.35Å; I545-I648 HydrophobicContact CD1-CD1 3.63Å; L605-I648 HydrophobicContact CD2-CG1 4.28Å; L608-I648 HydrophobicContact CD2-CG1 3.98Å; T644-I648 HydrophobicContact CG2-CD1 4.09Å; T644-I648 WeakPolarHBondContact O-CG1 3.44Å; T644-I648 PolarHBondContact O-N 2.97Å; A645-I648 PolarHBondContact O-N 2.94Å; I648-T650 VanDerWaalsContact C-N 3.33Å; I648-T650 PolarHBondContact O-N 3.05Å; I648-G651 PolarHBondContact O-N 3.38Å; I648-F652 HydrophobicContact CG2-CD2 3.63Å; I648-F652 HydrophobicContact CG2-CE2 3.56Å; I648-F652 HydrophobicContact CG2-CG 4.41Å; I648-F652 HydrophobicContact CG2-CZ 4.26Å; I648-F652 WeakPolarHBondContact O-CB 3.4Å; I648-F652 WeakPolarHBondContact O-CG 3.5Å; I648-F652 PolarHBondContact O-N 2.94Å
649	A	97.7	Very high	97.5	Very high	21 Å²	21	16.1 Å²	16.1	17%	0.174	8%	0.084	C	C	.	.	H	α-helix	trans	-60.9	-41.3	176.9	0	0	0	0	0	112.1	Y542 A645 D646 F652 N653 T659	Y542-A649 HydrophobicContact CE2-CB 3.81Å; A645-A649 WeakPolarHBondContact O-CB 3.34Å; A645-A649 PolarHBondContact O-N 3.06Å; D646-A649 PolarHBondContact O-N 3.31Å; A649-F652 PolarHBondContact O-N 3.22Å; A649-N653 WeakPolarHBondContact O-CB 3.41Å; A649-N653 PolarHBondContact O-N 3.21Å; A649-T659 HydrophobicContact CB-CG2 4.23Å
650	T	97.9	Very high	97.1	Very high	22 Å²	22	16.6 Å²	16.6	14%	0.135	9%	0.086	C	C	.	.	H	α-helix	trans	-64.4	-46.1	176.5	-55.5	0	0	0	0	111	I188 Y231 F585 D646 V647 I648 F652 N653 I654	I188-T650 HydrophobicContact CB-CG2 4.45Å; I188-T650 HydrophobicContact CG2-CG2 4.38Å; Y231-T650 HydrophobicContact CD2-CG2 4.5Å; Y231-T650 HydrophobicContact CE1-CG2 4.07Å; Y231-T650 HydrophobicContact CE2-CG2 3.79Å; F585-T650 HydrophobicContact CE1-CG2 3.66Å; F585-T650 HydrophobicContact CZ-CG2 4.02Å; D646-T650 WeakPolarHBondContact O-CB 3.43Å; D646-T650 PolarHBondContact O-N 3.02Å; D646-T650 PolarHBondContact O-OG1 3.42Å; V647-T650 PolarHBondContact O-N 3Å; I648-T650 VanDerWaalsContact C-N 3.33Å; I648-T650 PolarHBondContact O-N 3.05Å; T650-F652 PolarHBondContact O-N 3.35Å; T650-N653 PolarHBondContact O-N 3.42Å; T650-I654 HydrophobicContact CG2-CD1 4.28Å; T650-I654 WeakPolarHBondContact O-CG1 3.31Å; T650-I654 PolarHBondContact O-N 2.84Å
651	G	98.2	Very high	96.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-42.8	175.4	0	0	0	0	0	112.6	V647 I648 I654 L655	V647-G651 PolarHBondContact O-N 3.01Å; I648-G651 PolarHBondContact O-N 3.38Å; G651-I654 PolarHBondContact O-N 3.23Å; G651-L655 VanDerWaalsContact O-CG 3.29Å; G651-L655 WeakPolarHBondContact O-CG 3.37Å; G651-L655 PolarHBondContact O-N 2.86Å
652	F	98.3	Very high	95.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.9	-41.6	174.3	-79.9	-29	0	0	0	113.1	L538 L539 L605 I648 A649 T650 I654 L655 G656 I657 T659	L538-F652 HydrophobicContact CB-CE1 3.93Å; L538-F652 HydrophobicContact CB-CE2 4.39Å; L538-F652 HydrophobicContact CB-CZ 3.39Å; L538-F652 HydrophobicContact CD1-CE1 4.17Å; L538-F652 HydrophobicContact CD1-CZ 4.45Å; L539-F652 HydrophobicContact CD2-CD2 4.39Å; L539-F652 HydrophobicContact CD2-CE2 3.78Å; L539-F652 HydrophobicContact CD2-CZ 4.07Å; L539-F652 HydrophobicContact CG-CE2 4.22Å; L539-F652 HydrophobicContact CG-CZ 4.05Å; L605-F652 HydrophobicContact CD1-CD1 4.18Å; L605-F652 HydrophobicContact CD1-CE1 4.48Å; I648-F652 HydrophobicContact CG2-CD2 3.63Å; I648-F652 HydrophobicContact CG2-CE2 3.56Å; I648-F652 HydrophobicContact CG2-CG 4.41Å; I648-F652 HydrophobicContact CG2-CZ 4.26Å; I648-F652 WeakPolarHBondContact O-CB 3.4Å; I648-F652 WeakPolarHBondContact O-CG 3.5Å; I648-F652 PolarHBondContact O-N 2.94Å; A649-F652 PolarHBondContact O-N 3.22Å; T650-F652 PolarHBondContact O-N 3.35Å; F652-I654 VanDerWaalsContact C-N 3.28Å; F652-I654 PolarHBondContact O-N 3.48Å; F652-L655 HydrophobicContact CD1-CD1 4.43Å; F652-L655 CarbonylContact O-C 3.59Å; F652-L655 PolarHBondContact O-N 3.4Å; F652-L655 VanDerWaalsContact O-N 3.14Å; F652-G656 PolarHBondContact O-N 3.07Å; F652-I657 CarbonylContact C-O 3.51Å; F652-I657 HydrophobicContact CB-CB 4.15Å; F652-I657 HydrophobicContact CD1-CB 3.96Å; F652-I657 HydrophobicContact CD1-CD1 3.97Å; F652-I657 HydrophobicContact CD1-CG2 4Å; F652-I657 HydrophobicContact CE1-CD1 4.15Å; F652-I657 HydrophobicContact CE1-CG2 4.26Å; F652-I657 HydrophobicContact CG-CB 4.24Å; F652-I657 HydrophobicContact CG-CG2 4.23Å; F652-I657 PolarHBondContact O-N 3.15Å; F652-T659 HydrophobicContact CB-CG2 3.94Å; F652-T659 HydrophobicContact CD2-CG2 3.67Å; F652-T659 HydrophobicContact CG-CG2 4.3Å
653	N	98	Very high	94.3	Very high	84 Å²	84	25.2 Å²	25.2	45%	0.449	13%	0.125	S	C	.	.	H	α-helix	trans	-59.6	-40.6	174.6	-179.1	44.7	0	0	0	111.7	R227 A649 T650 G656	R227-N653 VanDerWaalsContact CD-O 3.32Å; R227-N653 WeakPolarHBondContact CD-O 3.49Å; R227-N653 PolarHBondContact NH1-O 2.89Å; R227-N653 VanDerWaalsContact NH1-O 3.16Å; R227-N653 PolarHBondContact NH1-OD1 2.77Å; A649-N653 WeakPolarHBondContact O-CB 3.41Å; A649-N653 PolarHBondContact O-N 3.21Å; T650-N653 PolarHBondContact O-N 3.42Å; N653-G656 PolarHBondContact O-N 2.83Å
654	I	98.5	Very high	94.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-40.4	174.9	-66.5	165.5	0	0	0	111.4	C224 L228 Y231 F585 L589 I601 T650 G651 F652 G656	C224-I654 WeakPolarHBondContact CA-O 3.3Å; C224-I654 PolarHBondContact SG-O 2.73Å; C224-I654 VanDerWaalsContact SG-O 3.37Å; L228-I654 HydrophobicContact CB-CG2 3.79Å; L228-I654 HydrophobicContact CD1-CD1 4.24Å; L228-I654 HydrophobicContact CD1-CG2 4.34Å; Y231-I654 HydrophobicContact CD1-CD1 3.84Å; Y231-I654 HydrophobicContact CD1-CG1 4.45Å; Y231-I654 HydrophobicContact CE1-CD1 4.24Å; Y231-I654 HydrophobicContact CG-CD1 4.31Å; Y231-I654 HydrophobicContact CG-CG1 4.46Å; F585-I654 HydrophobicContact CZ-CD1 4.27Å; L589-I654 HydrophobicContact CD1-CD1 4.3Å; L589-I654 HydrophobicContact CD2-CD1 3.71Å; I601-I654 HydrophobicContact CD1-CG2 3.69Å; T650-I654 HydrophobicContact CG2-CD1 4.28Å; T650-I654 WeakPolarHBondContact O-CG1 3.31Å; T650-I654 PolarHBondContact O-N 2.84Å; G651-I654 PolarHBondContact O-N 3.23Å; F652-I654 VanDerWaalsContact C-N 3.28Å; F652-I654 PolarHBondContact O-N 3.48Å; I654-G656 PolarHBondContact O-N 2.68Å
655	L	98.5	Very high	93.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-4	175.1	-65.1	171.5	0	0	0	113.3	Y509 L512 P598 I601 L605 G651 F652 I657	Y509-L655 HydrophobicContact CD2-CD1 4.17Å; Y509-L655 HydrophobicContact CE2-CD1 4.19Å; L512-L655 HydrophobicContact CB-CD2 4.22Å; L512-L655 HydrophobicContact CD1-CB 4.23Å; L512-L655 HydrophobicContact CD1-CD2 3.86Å; P598-L655 HydrophobicContact CB-CD2 4.33Å; I601-L655 HydrophobicContact CB-CD2 4.37Å; I601-L655 HydrophobicContact CG2-CD1 4.01Å; I601-L655 HydrophobicContact CG2-CD2 4.24Å; I601-L655 HydrophobicContact CG2-CG 4.02Å; L605-L655 HydrophobicContact CD1-CD1 3.8Å; G651-L655 VanDerWaalsContact O-CG 3.29Å; G651-L655 WeakPolarHBondContact O-CG 3.37Å; G651-L655 PolarHBondContact O-N 2.86Å; F652-L655 HydrophobicContact CD1-CD1 4.43Å; F652-L655 CarbonylContact O-C 3.59Å; F652-L655 PolarHBondContact O-N 3.4Å; F652-L655 VanDerWaalsContact O-N 3.14Å; L655-I657 VanDerWaalsContact C-N 3.3Å; L655-I657 HydrophobicContact CB-CD1 3.97Å; L655-I657 HydrophobicContact CB-CG1 4.02Å; L655-I657 HydrophobicContact CD1-CD1 4.29Å; L655-I657 PolarHBondContact O-N 3.39Å
656	G	98.1	Very high	93.7	Very high	5 Å²	5	29.4 Å²	29.4	5%	0.052	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	26.7	-175.8	0	0	0	0	0	113.6	K508 F652 N653 I654	K508-G656 VanDerWaalsContact CD-O 3.26Å; K508-G656 WeakPolarHBondContact CD-O 3.38Å; K508-G656 WeakPolarHBondContact CE-O 3.13Å; K508-G656 PolarHBondContact NZ-O 2.97Å; F652-G656 PolarHBondContact O-N 3.07Å; N653-G656 PolarHBondContact O-N 2.83Å; I654-G656 PolarHBondContact O-N 2.68Å
657	I	97.8	Very high	93.5	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.026	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-99.5	124.6	179.4	-60.2	177.3	0	0	0	108.5	K508 Y509 A535 L539 F652 L655	K508-I657 HydrophobicContact CB-CG1 4.38Å; Y509-I657 HydrophobicContact CD2-CD1 3.82Å; Y509-I657 HydrophobicContact CG-CD1 4.38Å; A535-I657 HydrophobicContact CB-CD1 4.42Å; L539-I657 HydrophobicContact CD2-CG2 4.21Å; F652-I657 CarbonylContact C-O 3.51Å; F652-I657 HydrophobicContact CB-CB 4.15Å; F652-I657 HydrophobicContact CD1-CB 3.96Å; F652-I657 HydrophobicContact CD1-CD1 3.97Å; F652-I657 HydrophobicContact CD1-CG2 4Å; F652-I657 HydrophobicContact CE1-CD1 4.15Å; F652-I657 HydrophobicContact CE1-CG2 4.26Å; F652-I657 HydrophobicContact CG-CB 4.24Å; F652-I657 HydrophobicContact CG-CG2 4.23Å; F652-I657 PolarHBondContact O-N 3.15Å; L655-I657 VanDerWaalsContact C-N 3.3Å; L655-I657 HydrophobicContact CB-CD1 3.97Å; L655-I657 HydrophobicContact CB-CG1 4.02Å; L655-I657 HydrophobicContact CD1-CD1 4.29Å; L655-I657 PolarHBondContact O-N 3.39Å
658	R	95.6	Very high	93.2	Very high	115 Å²	115	32.3 Å²	32.3	43%	0.434	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-73.2	131.8	176.2	-67.3	-176.8	-179.9	168.9	2.6	109.8	D331 A501	D331-R658 IonicContact OD1-CZ 2.84Å; D331-R658 IonicContact OD1-NE 3.65Å; D331-R658 IonicContact OD1-NH2 3.69Å; D331-R658 PolarHBondContact OD1-NH2 2.99Å; A501-R658 HydrophobicContact CB-CB 4.33Å; A501-R658 WeakPolarHBondContact CB-O 3.49Å
659	T	93.8	Very high	92.9	Very high	51 Å²	51	34.4 Å²	34.4	31%	0.313	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-84.1	162.9	173.6	58.6	0	0	0	0	111.4	Y542 A649 F652	Y542-T659 HydrophobicContact CD1-CG2 4.5Å; Y542-T659 HydrophobicContact CE1-CG2 4.28Å; A649-T659 HydrophobicContact CB-CG2 4.23Å; F652-T659 HydrophobicContact CB-CG2 3.94Å; F652-T659 HydrophobicContact CD2-CG2 3.67Å; F652-T659 HydrophobicContact CG-CG2 4.3Å
660	I	87.1	Confident	92.5	Very high	13 Å²	13	35.4 Å²	35.4	7%	0.067	17%	0.17	C	C	.	.			trans	-136.1	132.5	176.9	51.3	-176.8	0	0	0	110.3	A498 A501 Y542 K662 M663	A498-I660 HydrophobicContact CB-CD1 4.07Å; A501-I660 HydrophobicContact CB-CG2 3.74Å; Y542-I660 WeakPolarHBondContact CD1-O 3.48Å; Y542-I660 VanDerWaalsContact CE1-O 3.27Å; Y542-I660 WeakPolarHBondContact CE1-O 3.47Å; I660-K662 VanDerWaalsContact C-N 3.28Å; I660-K662 PolarHBondContact O-N 3Å; I660-M663 HydrophobicContact CD1-CB 3.51Å; I660-M663 HydrophobicContact CD1-CE 3.83Å; I660-M663 HydrophobicContact CD1-CG 3.38Å; I660-M663 HydrophobicContact CD1-SD 3.68Å; I660-M663 HydrophobicContact CG1-CB 4.07Å; I660-M663 HydrophobicContact CG1-CG 4.41Å
661	E	82.8	Confident	92.1	Very high	96 Å²	96	36.4 Å²	36.4	45%	0.449	17%	0.173	S	C	.	.	S	Bend	trans	-77.2	-17.7	-177	-66.5	-55.3	128.5	0	0	113.3	Y542 R550	Y542-E661 PolarHBondContact OH-OE1 3.05Å; R550-E661 PolarHBondContact NH1-O 3.09Å; R550-E661 VanDerWaalsContact NH1-O 3.08Å
662	K	77.6	Confident	91.6	Very high	87 Å²	87	39.4 Å²	39.4	38%	0.378	19%	0.188	S	C	.	.			trans	-140.5	133.9	173.8	-60.6	179.7	-167.3	156.8	0	108.4	L490 E494 I660	L490-K662 HydrophobicContact CD2-CB 3.72Å; L490-K662 HydrophobicContact CD2-CD 4.35Å; E494-K662 IonicContact OE1-NZ 3.31Å; E494-K662 PolarHBondContact OE1-NZ 2.78Å; E494-K662 IonicContact OE2-NZ 3.95Å; I660-K662 VanDerWaalsContact C-N 3.28Å; I660-K662 PolarHBondContact O-N 3Å
663	M	73.1	Confident	91	Very high	16 Å²	16	43 Å²	43	8%	0.079	21%	0.205	C	C	.	.			trans	-145.5	0	175.9	-164	-174.9	-156.2	0	0	110.2	L481 R486 V502 L539 Y540 A543 I660	L481-M663 HydrophobicContact CD2-CE 4.44Å; R486-M663 WeakPolarHBondContact CD-OXT 3.44Å; R486-M663 WeakPolarHBondContact CG-OXT 3.45Å; R486-M663 PolarHBondContact NE-OXT 2.94Å; R486-M663 PolarHBondContact NH1-O 2.77Å; R486-M663 PolarHBondContact NH1-OXT 3.25Å; R486-M663 PolarHBondContact NH2-O 2.74Å; R486-M663 PolarHBondContact NH2-OXT 2.92Å; V502-M663 HydrophobicContact CB-CE 4.5Å; V502-M663 HydrophobicContact CG2-CE 3.02Å; L539-M663 HydrophobicContact CB-CE 4.05Å; L539-M663 HydrophobicContact CB-SD 3.84Å; Y540-M663 HydrophobicContact CD1-CB 4.21Å; Y540-M663 HydrophobicContact CD1-CE 4.37Å; Y540-M663 HydrophobicContact CD1-CG 3.71Å; Y540-M663 HydrophobicContact CD1-SD 3.3Å; Y540-M663 WeakPolarHBondContact CD1-SD 3.39Å; Y540-M663 HydrophobicContact CD2-CE 4.16Å; Y540-M663 HydrophobicContact CD2-SD 3.81Å; Y540-M663 HydrophobicContact CE1-CB 4.25Å; Y540-M663 HydrophobicContact CE1-CE 4.01Å; Y540-M663 HydrophobicContact CE1-CG 3.42Å; Y540-M663 VanDerWaalsContact CE1-CG 3.42Å; Y540-M663 HydrophobicContact CE1-SD 3.4Å; Y540-M663 WeakPolarHBondContact CE1-SD 3.32Å; Y540-M663 HydrophobicContact CE2-CE 3.75Å; Y540-M663 HydrophobicContact CE2-SD 3.87Å; Y540-M663 HydrophobicContact CG-CE 4.4Å; Y540-M663 HydrophobicContact CG-CG 4.47Å; Y540-M663 HydrophobicContact CG-SD 3.47Å; Y540-M663 PolarHBondContact N-SD 2.92Å; Y540-M663 VanDerWaalsContact N-SD 3.43Å; A543-M663 HydrophobicContact CB-CB 3.54Å; I660-M663 HydrophobicContact CD1-CB 3.51Å; I660-M663 HydrophobicContact CD1-CE 3.83Å; I660-M663 HydrophobicContact CD1-CG 3.38Å; I660-M663 HydrophobicContact CD1-SD 3.68Å; I660-M663 HydrophobicContact CG1-CB 4.07Å; I660-M663 HydrophobicContact CG1-CG 4.41Å

Retrieved 663 of 663 residues in 569.1 ms (Link to these results)

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