A0A087YG55_POEFO Loading...

Frizzled class receptor 10

AlphaFold DB , UniProt , Accession A0A087YG55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 580 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	S	45.4	Very low	37.6	Very low	140 Å²	140	120.4 Å²	120.4	98%	0.979	64%	0.644	S	S	*	*				0	-52.6	0	-147.1	0	0	0	0	111.8	A3 K4 Q5	S1-A3 PolarHBondContact O-N 3.29Å; S1-K4 PolarHBondContact O-N 3.34Å; S1-Q5 PolarHBondContact O-N 3.49Å
2	Y	34.5	Very low	37.4	Very low	191 Å²	191	122.2 Å²	122.2	75%	0.749	65%	0.653	S	S	*	*	H	α-helix	trans	-59.9	-41.1	177.1	-96.7	-95.6	0	0	0	115.7	K4 Q5 L6	Y2-K4 VanDerWaalsContact C-N 3.29Å; Y2-K4 PolarHBondContact O-N 3.07Å; Y2-Q5 PolarHBondContact O-N 2.96Å; Y2-Q5 VanDerWaalsContact O-N 3.15Å; Y2-L6 PolarHBondContact O-N 3.32Å
3	A	34.8	Very low	37.5	Very low	83 Å²	83	120.8 Å²	120.8	69%	0.686	65%	0.645	S	S	*	*	H	α-helix	trans	-65.3	-29.2	178.5	0	0	0	0	0	113.8	S1 S7	S1-A3 PolarHBondContact O-N 3.29Å; A3-S7 PolarHBondContact O-N 3Å
4	K	35.5	Very low	37.3	Very low	174 Å²	174	118.7 Å²	118.7	76%	0.757	65%	0.652	S	S	*	*	H	α-helix	trans	-73.6	-29.3	175.2	-106.8	-179.5	175.4	-178.2	0	112.1	S1 Y2 L8	S1-K4 PolarHBondContact O-N 3.34Å; Y2-K4 VanDerWaalsContact C-N 3.29Å; Y2-K4 PolarHBondContact O-N 3.07Å; K4-L8 PolarHBondContact O-N 2.88Å
5	Q	36.1	Very low	37	Very low	124 Å²	124	115.5 Å²	115.5	58%	0.579	66%	0.657	S	S	*	*	H	α-helix	trans	-77.7	-25.7	178.7	-145.4	163.7	12.5	0	0	112.4	S1 Y2	S1-Q5 PolarHBondContact O-N 3.49Å; Y2-Q5 PolarHBondContact O-N 2.96Å; Y2-Q5 VanDerWaalsContact O-N 3.15Å
6	L	43.1	Very low	36.7	Very low	104 Å²	104	113.5 Å²	113.5	55%	0.545	65%	0.653	S	S	.	*	H	α-helix	trans	-73.9	-42.7	169	-96.4	109.5	0	0	0	112.5	Y2 L8 K9 A10	Y2-L6 PolarHBondContact O-N 3.32Å; L6-L8 PolarHBondContact O-N 3.35Å; L6-K9 PolarHBondContact O-N 3.36Å; L6-A10 PolarHBondContact O-N 3.38Å
7	S	36.3	Very low	36.7	Very low	68 Å²	68	122.4 Å²	122.4	48%	0.476	67%	0.673	S	S	.	*	H	α-helix	trans	-62.6	-42.9	178.1	-166.8	0	0	0	0	112.1	A3 K9 A10 D11	A3-S7 PolarHBondContact O-N 3Å; S7-K9 VanDerWaalsContact C-N 3.27Å; S7-K9 PolarHBondContact O-N 2.84Å; S7-A10 PolarHBondContact O-N 2.91Å; S7-A10 VanDerWaalsContact O-N 3.17Å; S7-D11 PolarHBondContact O-N 2.83Å
8	L	35.5	Very low	36.6	Very low	130 Å²	130	117.9 Å²	117.9	68%	0.681	66%	0.66	S	S	*	*	H	α-helix	trans	-69.2	-23.9	-179.6	-137.4	90.5	0	0	0	113.4	K4 L6	K4-L8 PolarHBondContact O-N 2.88Å; L6-L8 PolarHBondContact O-N 3.35Å
9	K	41	Very low	36.6	Very low	150 Å²	150	117.1 Å²	117.1	65%	0.652	66%	0.663	S	S	*	*	H	α-helix	trans	-83.1	-27.6	172.7	-83.9	-175.4	172.7	-175.5	0	112.5	L6 S7	L6-K9 PolarHBondContact O-N 3.36Å; S7-K9 VanDerWaalsContact C-N 3.27Å; S7-K9 PolarHBondContact O-N 2.84Å
10	A	36.7	Very low	36.9	Very low	44 Å²	44	113.8 Å²	113.8	36%	0.364	65%	0.648	S	S	.	*	H	α-helix	trans	-70.6	-35.9	175.4	0	0	0	0	0	112.1	L6 S7 L12 L13	L6-A10 PolarHBondContact O-N 3.38Å; S7-A10 PolarHBondContact O-N 2.91Å; S7-A10 VanDerWaalsContact O-N 3.17Å; A10-L12 VanDerWaalsContact C-N 3.27Å; A10-L12 PolarHBondContact O-N 3.49Å; A10-L13 WeakPolarHBondContact O-CB 3.26Å; A10-L13 PolarHBondContact O-N 2.98Å; A10-L13 VanDerWaalsContact O-N 3.11Å
11	D	34	Very low	37.3	Very low	116 Å²	116	111.6 Å²	111.6	62%	0.62	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-69.9	-23.2	177	-68.3	-34.2	0	0	0	113.2	S7 L13 A14	S7-D11 PolarHBondContact O-N 2.83Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-A14 PolarHBondContact O-N 3.03Å
12	L	35.3	Very low	37.4	Very low	142 Å²	142	105.3 Å²	105.3	74%	0.743	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-75.1	-17.1	172	-94.7	154.7	0	0	0	113.3	A10	A10-L12 VanDerWaalsContact C-N 3.27Å; A10-L12 PolarHBondContact O-N 3.49Å
13	L	39	Very low	38.1	Very low	105 Å²	105	98.4 Å²	98.4	55%	0.55	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-83.6	-11.6	175.3	-66.6	168.7	0	0	0	112.8	A10 D11 G15 E71	A10-L13 WeakPolarHBondContact O-CB 3.26Å; A10-L13 PolarHBondContact O-N 2.98Å; A10-L13 VanDerWaalsContact O-N 3.11Å; D11-L13 VanDerWaalsContact C-N 3.31Å; L13-G15 VanDerWaalsContact C-N 3.29Å; L13-G15 PolarHBondContact O-N 3.48Å; L13-E71 HydrophobicContact CD2-CB 4.19Å; L13-E71 HydrophobicContact CD2-CG 4.04Å
14	A	34.3	Very low	38.4	Very low	91 Å²	91	98.2 Å²	98.2	75%	0.752	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-82.2	-2.6	-179.5	0	0	0	0	0	114.1	D11	D11-A14 PolarHBondContact O-N 3.03Å
15	G	33.3	Very low	39.1	Very low	70 Å²	70	93.1 Å²	93.1	72%	0.722	55%	0.548	S	S	*	.	S	Bend	trans	-117.5	49.6	-170	0	0	0	0	0	115.3	L13	L13-G15 VanDerWaalsContact C-N 3.29Å; L13-G15 PolarHBondContact O-N 3.48Å
16	S	31.6	Very low	39.3	Very low	84 Å²	84	91.7 Å²	91.7	59%	0.587	54%	0.544	S	S	*	.			trans	-156.1	89.7	162.3	-163.4	0	0	0	0	111	G18	S16-G18 PolarHBondContact O-N 3.28Å
17	R	37.9	Very low	39.4	Very low	264 Å²	264	92.5 Å²	92.5	100%	0.996	56%	0.556	S	S	*	*			trans	-72.5	101.4	166.4	-84.8	-178.5	178.3	-178.1	-0.7	108.5
18	G	34.6	Very low	39.6	Very low	43 Å²	43	96.1 Å²	96.1	44%	0.443	57%	0.57	S	S	.	*			trans	-176.9	76.7	170.5	0	0	0	0	0	108.3	S16	S16-G18 PolarHBondContact O-N 3.28Å
19	S	36.4	Very low	40.2	Very low	102 Å²	102	92.9 Å²	92.9	71%	0.713	55%	0.549	S	S	*	.			trans	-92.8	102.2	179.2	-178.8	0	0	0	0	109	S21	S19-S21 PolarHBondContact O-N 2.83Å
20	S	42.9	Very low	40.3	Very low	51 Å²	51	91.3 Å²	91.3	36%	0.357	56%	0.557	S	S	.	*			trans	-71.6	118.8	164.2	-41.1	0	0	0	0	108.2	M57	S20-M57 WeakPolarHBondContact CB-O 3.35Å
21	S	44.6	Very low	41	Very low	68 Å²	68	90.1 Å²	90.1	48%	0.476	55%	0.548	S	S	.	.			trans	-84.5	158.7	177.6	55.5	0	0	0	0	110.5	S19 S23	S19-S21 PolarHBondContact O-N 2.83Å; S21-S23 PolarHBondContact O-N 2.92Å
22	I	47.7	Very low	42	Very low	7 Å²	7	94.3 Å²	94.3	4%	0.036	56%	0.564	C	S	.	*			trans	-57.3	115.3	170.3	-68.6	161.7	0	0	0	107.6	M57 S132 R137	I22-M57 HydrophobicContact CG1-SD 3.93Å; I22-S132 WeakPolarHBondContact CD1-O 3.28Å; I22-S132 WeakPolarHBondContact CG1-O 3.34Å; I22-R137 HydrophobicContact CD1-CB 4.49Å; I22-R137 HydrophobicContact CG2-CB 3.88Å; I22-R137 HydrophobicContact CG2-CG 4.49Å; I22-R137 PolarHBondContact O-NH1 2.88Å
23	S	48.6	Very low	43.3	Very low	46 Å²	46	88.7 Å²	88.7	32%	0.322	54%	0.541	S	S	.	.			trans	-61.7	140.1	173.2	53.8	0	0	0	0	109.5	S21 I25 L56	S21-S23 PolarHBondContact O-N 2.92Å; S23-I25 PolarHBondContact O-N 3.4Å; S23-L56 PolarHBondContact N-O 3.03Å
24	S	42.4	Very low	45.1	Very low	79 Å²	79	94.1 Å²	94.1	55%	0.552	55%	0.554	S	S	*	*			trans	-48.6	135	166	34	0	0	0	0	108.9	D26	S24-D26 PolarHBondContact O-N 3.44Å; S24-D26 PolarHBondContact OG-OD2 3.5Å
25	I	49.8	Very low	47.7	Very low	68 Å²	68	91 Å²	91	35%	0.349	53%	0.527	S	S	.	.			trans	-70.9	76.6	168.6	-57.3	171.2	0	0	0	105.6	S23	S23-I25 PolarHBondContact O-N 3.4Å
26	D	40.9	Very low	50.3	Low	93 Å²	93	91.3 Å²	91.3	50%	0.497	51%	0.509	S	S	.	.			trans	-73.1	134.1	170.5	-80	-55.2	0	0	0	107.9	S24 D28	S24-D26 PolarHBondContact O-N 3.44Å; S24-D26 PolarHBondContact OG-OD2 3.5Å; D26-D28 PolarHBondContact O-N 2.88Å
27	P	44.1	Very low	53.2	Low	122 Å²	122	92.1 Å²	92.1	79%	0.792	50%	0.503	S	S	*	.	S	Bend	trans	-63.3	-10.5	-179.3	-19	29.7	0	0	0	114.3
28	D	41.6	Very low	55.9	Low	143 Å²	143	79.8 Å²	79.8	77%	0.765	46%	0.457	S	S	*	.			trans	-107.6	63.5	-177.7	-154	17.1	0	0	0	110.4	D26 S30	D26-D28 PolarHBondContact O-N 2.88Å; D28-S30 PolarHBondContact O-N 2.81Å; D28-S30 VanDerWaalsContact O-N 3.16Å
29	W	48.3	Very low	58.6	Low	62 Å²	62	83.1 Å²	83.1	24%	0.235	47%	0.465	C	S	.	.			trans	-81.3	91.7	178.2	-151.7	68.4	0	0	0	109.4	G31 R52 P54 P103	W29-G31 PolarHBondContact O-N 3.35Å; W29-R52 HydrophobicContact CH2-CG 4.43Å; W29-R52 HydrophobicContact CZ3-CG 4.32Å; W29-P54 HydrophobicContact CH2-CG 4.33Å; W29-P54 WeakPolarHBondContact CH2-O 3.33Å; W29-P54 HydrophobicContact CZ2-CG 3.97Å; W29-P54 WeakPolarHBondContact CZ2-O 3.24Å; W29-P103 HydrophobicContact CH2-CG 3.95Å; W29-P103 HydrophobicContact CZ2-CG 4.11Å; W29-P103 HydrophobicContact CZ3-CG 4.22Å
30	S	42.7	Very low	61.2	Low	118 Å²	118	78.4 Å²	78.4	83%	0.825	43%	0.432	S	S	*	.			trans	-81	44.2	-175.7	51.9	0	0	0	0	114.1	D28	D28-S30 PolarHBondContact O-N 2.81Å; D28-S30 VanDerWaalsContact O-N 3.16Å
31	G	51.1	Low	63.4	Low	18 Å²	18	80.7 Å²	80.7	19%	0.186	45%	0.446	C	S	.	.			trans	-104.1	105.8	176.2	0	0	0	0	0	111.9	W29 G33 R52	W29-G31 PolarHBondContact O-N 3.35Å; G31-G33 PolarHBondContact O-N 2.86Å; G31-R52 PolarHBondContact O-NH2 3.1Å
32	E	54.8	Low	65.4	Low	204 Å²	204	79.8 Å²	79.8	95%	0.953	43%	0.434	S	S	*	.			trans	-71	36.1	175.4	-68.2	-176.3	150.7	0	0	114.6
33	G	62.5	Low	67.4	Low	25 Å²	25	79.5 Å²	79.5	26%	0.258	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-81	134.9	-179.7	0	0	0	0	0	114.2	G31 R52	G31-G33 PolarHBondContact O-N 2.86Å; G33-R52 WeakPolarHBondContact O-CD 3.09Å; G33-R52 PolarHBondContact O-NE 3.11Å; G33-R52 PolarHBondContact O-NH2 3.48Å
34	R	76.9	Confident	69.3	Low	219 Å²	219	82.3 Å²	82.3	83%	0.826	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-81.2	155	167.8	-68.1	-177.2	-177.1	177	0.4	110.9	Q36	R34-Q36 PolarHBondContact O-N 2.92Å
35	C	88	Confident	71.3	Confident	25 Å²	25	86.2 Å²	86.2	17%	0.169	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-61.3	134.5	171.3	-60.9	0	0	0	0	109.9	M50 C96 T97	C35-M50 HydrophobicContact CB-CB 4.42Å; C35-C96 VanDerWaalsContact CA-SG 3.5Å; C35-C96 HydrophobicContact CB-CB 3.87Å; C35-C96 WeakPolarHBondContact CB-SG 3.37Å; C35-C96 WeakPolarHBondContact SG-CB 3.47Å; C35-C96 CovalentContact SG-SG 2.04Å; C35-C96 PolarHBondContact SG-SG 3.34Å; C35-T97 PolarHBondContact SG-N 3.16Å
36	Q	89.8	Confident	73	Confident	77 Å²	77	83.7 Å²	83.7	36%	0.36	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.4	-180	58	172	14.5	0	0	111.4	R34 M50 T51	R34-Q36 PolarHBondContact O-N 2.92Å; Q36-M50 WeakPolarHBondContact O-CA 3.47Å; Q36-T51 HydrophobicContact CG-CG2 4.33Å; Q36-T51 WeakPolarHBondContact CG-O 3.33Å; Q36-T51 PolarHBondContact N-O 3.49Å; Q36-T51 PolarHBondContact O-N 3.48Å; Q36-T51 VanDerWaalsContact O-O 3.06Å
37	H	91.6	Very high	75	Confident	100 Å²	100	83 Å²	83	46%	0.463	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.8	-176.3	-152.5	-82	0	0	0	111.9	N39 N49 M50 Q62	H37-N39 PolarHBondContact O-N 2.64Å; H37-N49 WeakPolarHBondContact CA-O 3.18Å; H37-N49 PolarHBondContact NE2-ND2 3.12Å; H37-M50 HydrophobicContact CB-SD 4.48Å; H37-Q62 PolarHBondContact O-NE2 2.81Å
38	I	94.1	Very high	77.1	Confident	6 Å²	6	78.5 Å²	78.5	3%	0.031	42%	0.423	C	S	.	.			trans	-70.8	119.2	178	-62	170.3	0	0	0	109.8	I40 C43 Y48 N49 T51	I38-I40 HydrophobicContact CG2-CB 4.29Å; I38-C43 HydrophobicContact CG2-CB 3.99Å; I38-Y48 HydrophobicContact CD1-CD2 3.67Å; I38-Y48 HydrophobicContact CD1-CE2 3.61Å; I38-N49 PolarHBondContact N-O 3.37Å; I38-T51 HydrophobicContact CG1-CG2 3.76Å
39	N	91.3	Very high	79.5	Confident	113 Å²	113	75.8 Å²	75.8	60%	0.604	41%	0.409	S	S	*	.			trans	-109.1	-4.4	176.8	-71.7	-27.8	0	0	0	112.9	H37 P41	H37-N39 PolarHBondContact O-N 2.64Å; N39-P41 WeakPolarHBondContact O-CD 3.48Å
40	I	92.4	Very high	81.4	Confident	3 Å²	3	76.4 Å²	76.4	2%	0.015	42%	0.415	C	S	.	.			trans	-69.7	116.8	178.1	-55.1	-176.3	0	0	0	109.9	I38 M42 C43 K44 Q62 A65 A66 L69 A93	I38-I40 HydrophobicContact CG2-CB 4.29Å; I40-M42 VanDerWaalsContact C-N 3.29Å; I40-M42 PolarHBondContact O-N 3.43Å; I40-C43 HydrophobicContact CB-CB 4.18Å; I40-C43 HydrophobicContact CG2-CB 4.28Å; I40-C43 PolarHBondContact O-N 2.85Å; I40-K44 PolarHBondContact O-N 3.31Å; I40-Q62 HydrophobicContact CD1-CB 4.37Å; I40-Q62 HydrophobicContact CG1-CB 4.03Å; I40-Q62 HydrophobicContact CG1-CG 4.49Å; I40-A65 HydrophobicContact CD1-CB 3.87Å; I40-A66 HydrophobicContact CB-CB 4.46Å; I40-A66 HydrophobicContact CG1-CB 4.23Å; I40-A66 HydrophobicContact CG2-CB 3.88Å; I40-L69 HydrophobicContact CG2-CD2 3.99Å; I40-A93 HydrophobicContact CD1-CB 4.01Å
41	P	88.8	Confident	83.8	Confident	99 Å²	99	70.8 Å²	70.8	64%	0.643	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-56.5	-37.8	-173.6	-27.6	35.3	0	0	0	114.5	N39 C43	N39-P41 WeakPolarHBondContact O-CD 3.48Å; P41-C43 VanDerWaalsContact C-N 3.32Å; P41-C43 PolarHBondContact O-N 3.36Å
42	M	85.1	Confident	85.5	Confident	49 Å²	49	71.7 Å²	71.7	24%	0.241	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-76.2	-17.4	-179.3	-67.6	173.5	63.9	0	0	113.6	I40 L69 A73 I76 K85	I40-M42 VanDerWaalsContact C-N 3.29Å; I40-M42 PolarHBondContact O-N 3.43Å; M42-L69 HydrophobicContact CB-CD2 4.03Å; M42-L69 HydrophobicContact CE-CG 4.41Å; M42-A73 HydrophobicContact CE-CB 3.96Å; M42-A73 HydrophobicContact SD-CB 4.25Å; M42-I76 HydrophobicContact CE-CD1 3.27Å; M42-K85 WeakPolarHBondContact O-CE 3.36Å
43	C	91.2	Very high	87	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-106.4	13.9	-179.6	-61.9	0	0	0	0	113.2	I38 I40 P41 I46 L69 C89	I38-C43 HydrophobicContact CG2-CB 3.99Å; I40-C43 HydrophobicContact CB-CB 4.18Å; I40-C43 HydrophobicContact CG2-CB 4.28Å; I40-C43 PolarHBondContact O-N 2.85Å; P41-C43 VanDerWaalsContact C-N 3.32Å; P41-C43 PolarHBondContact O-N 3.36Å; C43-I46 HydrophobicContact CB-CD1 4.06Å; C43-I46 WeakPolarHBondContact O-CG1 3.46Å; C43-L69 WeakPolarHBondContact SG-CD2 3.41Å; C43-C89 WeakPolarHBondContact CA-SG 3.32Å; C43-C89 HydrophobicContact CB-CB 3.84Å; C43-C89 WeakPolarHBondContact CB-SG 3.47Å; C43-C89 VanDerWaalsContact SG-CA 3.55Å; C43-C89 WeakPolarHBondContact SG-CB 3.4Å; C43-C89 CovalentContact SG-SG 2.04Å; C43-C89 PolarHBondContact SG-SG 3.44Å
44	K	88.2	Confident	88.3	Confident	105 Å²	105	63.5 Å²	63.5	46%	0.457	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	145.1	167	-65.4	-174.6	177	-174.4	0	110.2	I40 I46 K85	I40-K44 PolarHBondContact O-N 3.31Å; K44-I46 VanDerWaalsContact C-N 3.33Å; K44-I46 PolarHBondContact O-N 2.94Å; K44-K85 PolarHBondContact O-NZ 3.47Å
45	D	83.8	Confident	88.8	Confident	161 Å²	161	53.2 Å²	53.2	86%	0.861	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	35.9	174.6	-47.2	-48.1	0	0	0	114.6
46	I	85.1	Confident	88.6	Confident	16 Å²	16	52.6 Å²	52.6	8%	0.082	29%	0.289	C	S	.	.	S	Bend	trans	-91.1	-2.4	178.3	62.4	177.1	0	0	0	113.9	C43 K44 Y48 F86 C89	C43-I46 HydrophobicContact CB-CD1 4.06Å; C43-I46 WeakPolarHBondContact O-CG1 3.46Å; K44-I46 VanDerWaalsContact C-N 3.33Å; K44-I46 PolarHBondContact O-N 2.94Å; I46-Y48 HydrophobicContact CD1-CD1 4.44Å; I46-Y48 HydrophobicContact CD1-CE1 3.75Å; I46-Y48 HydrophobicContact CD1-CE2 3.94Å; I46-Y48 VanDerWaalsContact CD1-CZ 3.45Å; I46-Y48 WeakPolarHBondContact CD1-OH 3.15Å; I46-Y48 HydrophobicContact CG1-CD1 4.31Å; I46-Y48 HydrophobicContact CG1-CE1 4.04Å; I46-F86 HydrophobicContact CB-CD2 4.23Å; I46-F86 WeakPolarHBondContact O-CD2 3.34Å; I46-F86 WeakPolarHBondContact O-CE2 3.42Å; I46-C89 HydrophobicContact CD1-CB 3.48Å; I46-C89 VanDerWaalsContact CD1-CB 3.48Å
47	G	83.8	Confident	88.4	Confident	79 Å²	79	49.3 Å²	49.3	81%	0.814	27%	0.274	S	S	*	.	S	Bend	trans	113.8	-10	179.7	0	0	0	0	0	115
48	Y	88.1	Confident	87.9	Confident	26 Å²	26	46.7 Å²	46.7	10%	0.102	27%	0.273	C	S	.	.			trans	-143.5	161.1	168.3	59	-89.3	0	0	0	110.2	I38 I46 F86 A93 M95 M149	I38-Y48 HydrophobicContact CD1-CD2 3.67Å; I38-Y48 HydrophobicContact CD1-CE2 3.61Å; I46-Y48 HydrophobicContact CD1-CD1 4.44Å; I46-Y48 HydrophobicContact CD1-CE1 3.75Å; I46-Y48 HydrophobicContact CD1-CE2 3.94Å; I46-Y48 VanDerWaalsContact CD1-CZ 3.45Å; I46-Y48 WeakPolarHBondContact CD1-OH 3.15Å; I46-Y48 HydrophobicContact CG1-CD1 4.31Å; I46-Y48 HydrophobicContact CG1-CE1 4.04Å; Y48-F86 HydrophobicContact CD1-CE2 4.37Å; Y48-F86 AromaticContact CE1-CE2 3.95Å; Y48-F86 HydrophobicContact CE1-CE2 3.95Å; Y48-F86 HydrophobicContact CE1-CZ 4.23Å; Y48-A93 VanDerWaalsContact CE2-O 3.25Å; Y48-A93 WeakPolarHBondContact CE2-O 3.46Å; Y48-A93 PolarHBondContact OH-O 2.81Å; Y48-M95 HydrophobicContact CD1-CB 4.28Å; Y48-M95 HydrophobicContact CD2-CB 3.96Å; Y48-M95 HydrophobicContact CD2-CG 4.19Å; Y48-M95 HydrophobicContact CE1-CB 4.35Å; Y48-M95 HydrophobicContact CE2-CB 4.04Å; Y48-M95 HydrophobicContact CG-CB 4.1Å; Y48-M95 HydrophobicContact CG-CG 4.08Å; Y48-M95 HydrophobicContact CG-SD 4.46Å; Y48-M149 HydrophobicContact CD1-SD 3.99Å; Y48-M149 HydrophobicContact CE1-CE 4.01Å; Y48-M149 HydrophobicContact CE1-SD 3.69Å
49	N	91	Very high	87.6	Confident	87 Å²	87	46.6 Å²	46.6	47%	0.465	27%	0.273	S	S	.	.			trans	-125.1	-3.5	-172.9	65.6	-19.8	0	0	0	114.7	H37 I38	H37-N49 WeakPolarHBondContact CA-O 3.18Å; H37-N49 PolarHBondContact NE2-ND2 3.12Å; I38-N49 PolarHBondContact N-O 3.37Å
50	M	90.1	Very high	87.4	Confident	74 Å²	74	47.1 Å²	47.1	37%	0.365	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.2	-179	-64.6	-60.2	-146.9	0	0	111.6	C35 Q36 H37 C96	C35-M50 HydrophobicContact CB-CB 4.42Å; Q36-M50 WeakPolarHBondContact O-CA 3.47Å; H37-M50 HydrophobicContact CB-SD 4.48Å; M50-C96 PolarHBondContact O-N 3.37Å; M50-C96 VanDerWaalsContact O-N 3.17Å
51	T	91.4	Very high	87.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	163.2	176.9	-174.3	0	0	0	0	110.6	Q36 I38 Q62 A93 P94	Q36-T51 HydrophobicContact CG-CG2 4.33Å; Q36-T51 WeakPolarHBondContact CG-O 3.33Å; Q36-T51 PolarHBondContact N-O 3.49Å; Q36-T51 PolarHBondContact O-N 3.48Å; Q36-T51 VanDerWaalsContact O-O 3.06Å; I38-T51 HydrophobicContact CG1-CG2 3.76Å; T51-Q62 HydrophobicContact CG2-CG 4.3Å; T51-A93 HydrophobicContact CG2-CB 4.44Å; T51-A93 VanDerWaalsContact OG1-C 3.25Å; T51-A93 VanDerWaalsContact OG1-CA 3.26Å; T51-A93 WeakPolarHBondContact OG1-CA 3.46Å; T51-P94 VanDerWaalsContact CA-O 3.3Å; T51-P94 WeakPolarHBondContact CA-O 3.27Å; T51-P94 WeakPolarHBondContact CB-O 3.4Å; T51-P94 PolarHBondContact OG1-O 3.15Å; T51-P94 VanDerWaalsContact OG1-O 3.13Å
52	R	87.4	Confident	87.3	Confident	37 Å²	37	46.1 Å²	46.1	14%	0.14	26%	0.264	C	S	.	.			trans	-121	152.5	172.7	-171.6	171.3	179.3	157.8	8.9	110.3	W29 G31 G33 C96 S101	W29-R52 HydrophobicContact CH2-CG 4.43Å; W29-R52 HydrophobicContact CZ3-CG 4.32Å; G31-R52 PolarHBondContact O-NH2 3.1Å; G33-R52 WeakPolarHBondContact O-CD 3.09Å; G33-R52 PolarHBondContact O-NE 3.11Å; G33-R52 PolarHBondContact O-NH2 3.48Å; R52-C96 HydrophobicContact CB-CB 4.03Å; R52-S101 PolarHBondContact NH1-O 3.38Å
53	M	87.5	Confident	87.6	Confident	19 Å²	19	51.1 Å²	51.1	9%	0.094	29%	0.285	C	S	.	.	S	Bend	trans	-119.4	148.8	170.2	-55.4	-56.8	-70.7	0	0	109.8	N55 H59 D60 D61 Q62 A65	M53-N55 HydrophobicContact CE-CB 4.01Å; M53-N55 HydrophobicContact SD-CB 4.08Å; M53-H59 HydrophobicContact CE-CB 4.04Å; M53-H59 WeakPolarHBondContact CE-O 3.46Å; M53-D60 VanDerWaalsContact CB-O 3.28Å; M53-D60 WeakPolarHBondContact CB-O 3.49Å; M53-D61 WeakPolarHBondContact CE-O 3.36Å; M53-Q62 HydrophobicContact CG-CG 4.27Å; M53-Q62 HydrophobicContact SD-CG 3.98Å; M53-A65 HydrophobicContact CE-CB 4.47Å
54	P	88.4	Confident	87.5	Confident	39 Å²	39	55.3 Å²	55.3	25%	0.253	31%	0.305	S	S	.	.	S	Bend	cis	-65	150.7	-1.7	26.1	-33	0	0	0	112.9	W29 H59	W29-P54 HydrophobicContact CH2-CG 4.33Å; W29-P54 WeakPolarHBondContact CH2-O 3.33Å; W29-P54 HydrophobicContact CZ2-CG 3.97Å; W29-P54 WeakPolarHBondContact CZ2-O 3.24Å; P54-H59 CarbonylContact C-O 3.52Å; P54-H59 WeakPolarHBondContact CA-O 3.48Å; P54-H59 WeakPolarHBondContact CB-O 3.39Å
55	N	88	Confident	87.5	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.011	28%	0.283	C	S	.	.			trans	-81.6	176.4	177.5	62.2	26.9	0	0	0	111.3	M53 M57 G58 H59 A65 H92	M53-N55 HydrophobicContact CE-CB 4.01Å; M53-N55 HydrophobicContact SD-CB 4.08Å; N55-M57 PolarHBondContact O-N 3.21Å; N55-M57 VanDerWaalsContact O-N 3.07Å; N55-M57 WeakPolarHBondContact OD1-CA 3.36Å; N55-M57 WeakPolarHBondContact OD1-CB 3.46Å; N55-M57 PolarHBondContact OD1-N 3.3Å; N55-M57 VanDerWaalsContact OD1-N 3.11Å; N55-G58 PolarHBondContact O-N 3.37Å; N55-G58 PolarHBondContact OD1-N 3.49Å; N55-H59 PolarHBondContact N-O 3.02Å; N55-H59 PolarHBondContact ND2-ND1 3.33Å; N55-H59 VanDerWaalsContact ND2-ND1 3.15Å; N55-H59 WeakPolarHBondContact OD1-CB 3.49Å; N55-H59 PolarHBondContact OD1-N 3.01Å; N55-H59 PolarHBondContact OD1-ND1 3.31Å; N55-A65 VanDerWaalsContact ND2-CB 3.29Å; N55-A65 WeakPolarHBondContact ND2-CB 3.32Å; N55-H92 PolarHBondContact ND2-O 3.21Å
56	L	84.4	Confident	87.8	Confident	13 Å²	13	43.8 Å²	43.8	7%	0.068	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-10.7	-179.9	-67.4	167.4	0	0	0	113.9	S23 L91 P94 P103 P105	S23-L56 PolarHBondContact N-O 3.03Å; L56-L91 HydrophobicContact CD1-CD2 4.47Å; L56-L91 PolarHBondContact N-O 2.91Å; L56-P94 HydrophobicContact CD1-CB 4.05Å; L56-P94 HydrophobicContact CD1-CG 4.39Å; L56-P94 HydrophobicContact CG-CB 4.49Å; L56-P94 HydrophobicContact CG-CG 4.31Å; L56-P103 HydrophobicContact CD2-CG 4.08Å; L56-P103 HydrophobicContact CG-CG 4.42Å; L56-P105 HydrophobicContact CD1-CB 3.57Å; L56-P105 HydrophobicContact CD1-CG 4.23Å
57	M	83.8	Confident	88	Confident	8 Å²	8	48.7 Å²	48.7	4%	0.039	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	6.3	174.3	-56.5	-63.9	-66.5	0	0	111.9	S20 I22 N55 H59 L91	S20-M57 WeakPolarHBondContact CB-O 3.35Å; I22-M57 HydrophobicContact CG1-SD 3.93Å; N55-M57 PolarHBondContact O-N 3.21Å; N55-M57 VanDerWaalsContact O-N 3.07Å; N55-M57 WeakPolarHBondContact OD1-CA 3.36Å; N55-M57 WeakPolarHBondContact OD1-CB 3.46Å; N55-M57 PolarHBondContact OD1-N 3.3Å; N55-M57 VanDerWaalsContact OD1-N 3.11Å; M57-H59 VanDerWaalsContact C-N 3.34Å; M57-H59 VanDerWaalsContact CB-CE1 3.46Å; M57-H59 WeakPolarHBondContact CB-CE1 3.27Å; M57-H59 PolarHBondContact O-N 3.06Å; M57-L91 HydrophobicContact CG-CB 4.15Å; M57-L91 HydrophobicContact SD-CB 4.15Å
58	G	82.9	Confident	88.1	Confident	44 Å²	44	47.3 Å²	47.3	45%	0.454	25%	0.248	S	C	.	.			trans	74.4	16.5	176.7	0	0	0	0	0	115.3	N55	N55-G58 PolarHBondContact O-N 3.37Å; N55-G58 PolarHBondContact OD1-N 3.49Å
59	H	87.9	Confident	88.1	Confident	5 Å²	5	46.1 Å²	46.1	2%	0.023	24%	0.244	C	C	.	.			trans	-83	137.9	174.4	-50	116.1	0	0	0	110.3	M53 P54 N55 M57 E64 A65 H92	M53-H59 HydrophobicContact CE-CB 4.04Å; M53-H59 WeakPolarHBondContact CE-O 3.46Å; P54-H59 CarbonylContact C-O 3.52Å; P54-H59 WeakPolarHBondContact CA-O 3.48Å; P54-H59 WeakPolarHBondContact CB-O 3.39Å; N55-H59 PolarHBondContact N-O 3.02Å; N55-H59 PolarHBondContact ND2-ND1 3.33Å; N55-H59 VanDerWaalsContact ND2-ND1 3.15Å; N55-H59 WeakPolarHBondContact OD1-CB 3.49Å; N55-H59 PolarHBondContact OD1-N 3.01Å; N55-H59 PolarHBondContact OD1-ND1 3.31Å; M57-H59 VanDerWaalsContact C-N 3.34Å; M57-H59 VanDerWaalsContact CB-CE1 3.46Å; M57-H59 WeakPolarHBondContact CB-CE1 3.27Å; M57-H59 PolarHBondContact O-N 3.06Å; H59-E64 HydrophobicContact CB-CB 4.37Å; H59-E64 HydrophobicContact CB-CG 4.31Å; H59-E64 IonicContact CD2-OE1 3.67Å; H59-A65 HydrophobicContact CB-CB 4.35Å; H59-H92 AromaticContact CE1-CD2 3.98Å
60	D	85.4	Confident	87.9	Confident	124 Å²	124	47.9 Å²	47.9	66%	0.663	25%	0.25	S	C	*	.	S	Bend	trans	-88.5	-21.7	-177.3	-68.4	-41.1	0	0	0	113.4	M53	M53-D60 VanDerWaalsContact CB-O 3.28Å; M53-D60 WeakPolarHBondContact CB-O 3.49Å
61	D	88.9	Confident	87.8	Confident	71 Å²	71	48.7 Å²	48.7	38%	0.38	25%	0.252	S	S	.	.	S	Bend	trans	-129.8	147.3	178.2	-172.3	10.3	0	0	0	112.2	M53 K63 E64 A65	M53-D61 WeakPolarHBondContact CE-O 3.36Å; D61-K63 PolarHBondContact O-N 3.4Å; D61-E64 PolarHBondContact O-N 2.95Å; D61-A65 PolarHBondContact O-N 3.46Å
62	Q	91.1	Very high	87.6	Confident	9 Å²	9	50.3 Å²	50.3	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-26.5	175.4	-71.2	-170.7	50.1	0	0	112.6	H37 I40 T51 M53 A66	H37-Q62 PolarHBondContact O-NE2 2.81Å; I40-Q62 HydrophobicContact CD1-CB 4.37Å; I40-Q62 HydrophobicContact CG1-CB 4.03Å; I40-Q62 HydrophobicContact CG1-CG 4.49Å; T51-Q62 HydrophobicContact CG2-CG 4.3Å; M53-Q62 HydrophobicContact CG-CG 4.27Å; M53-Q62 HydrophobicContact SD-CG 3.98Å; Q62-A66 VanDerWaalsContact O-CB 3.31Å; Q62-A66 WeakPolarHBondContact O-CB 3.44Å; Q62-A66 PolarHBondContact O-N 3.24Å
63	K	90.3	Very high	87.5	Confident	155 Å²	155	49.5 Å²	49.5	67%	0.674	26%	0.261	S	S	*	.	H	α-helix	trans	-64.7	-42.3	175.5	-67.8	179	-174.2	167.4	0	112	D61 A66 L67	D61-K63 PolarHBondContact O-N 3.4Å; K63-A66 PolarHBondContact O-N 3.24Å; K63-L67 WeakPolarHBondContact O-CG 3.28Å; K63-L67 PolarHBondContact O-N 3.42Å
64	E	89.1	Confident	87.2	Confident	88 Å²	88	53 Å²	53	41%	0.411	28%	0.283	S	S	.	.	H	α-helix	trans	-67	-45.5	176.9	-174	-177.5	-172.6	0	0	110.7	H59 D61 A66 L67 K68	H59-E64 HydrophobicContact CB-CB 4.37Å; H59-E64 HydrophobicContact CB-CG 4.31Å; H59-E64 IonicContact CD2-OE1 3.67Å; D61-E64 PolarHBondContact O-N 2.95Å; E64-A66 VanDerWaalsContact C-N 3.28Å; E64-A66 PolarHBondContact O-N 3.31Å; E64-L67 PolarHBondContact O-N 3.45Å; E64-K68 PolarHBondContact O-N 2.84Å; E64-K68 VanDerWaalsContact O-N 3.13Å
65	A	90	Very high	87	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-39.6	174.7	0	0	0	0	0	112.5	I40 M53 N55 H59 D61 K68 L69 H92	I40-A65 HydrophobicContact CD1-CB 3.87Å; M53-A65 HydrophobicContact CE-CB 4.47Å; N55-A65 VanDerWaalsContact ND2-CB 3.29Å; N55-A65 WeakPolarHBondContact ND2-CB 3.32Å; H59-A65 HydrophobicContact CB-CB 4.35Å; D61-A65 PolarHBondContact O-N 3.46Å; A65-K68 PolarHBondContact O-N 3.22Å; A65-L69 VanDerWaalsContact O-CB 3.28Å; A65-L69 WeakPolarHBondContact O-CB 3.37Å; A65-L69 PolarHBondContact O-N 3.06Å; A65-H92 HydrophobicContact CB-CB 4.46Å
66	A	90.3	Very high	86.8	Confident	24 Å²	24	54 Å²	54	20%	0.198	29%	0.286	C	S	.	.	H	α-helix	trans	-65.2	-40.2	177.8	0	0	0	0	0	112.8	I40 Q62 K63 E64 L69 Q70	I40-A66 HydrophobicContact CB-CB 4.46Å; I40-A66 HydrophobicContact CG1-CB 4.23Å; I40-A66 HydrophobicContact CG2-CB 3.88Å; Q62-A66 VanDerWaalsContact O-CB 3.31Å; Q62-A66 WeakPolarHBondContact O-CB 3.44Å; Q62-A66 PolarHBondContact O-N 3.24Å; K63-A66 PolarHBondContact O-N 3.24Å; E64-A66 VanDerWaalsContact C-N 3.28Å; E64-A66 PolarHBondContact O-N 3.31Å; A66-L69 PolarHBondContact O-N 3.25Å; A66-Q70 WeakPolarHBondContact O-CB 3.47Å; A66-Q70 PolarHBondContact O-N 2.92Å
67	L	88.1	Confident	86.7	Confident	119 Å²	119	61.2 Å²	61.2	62%	0.623	32%	0.319	S	S	*	.	H	α-helix	trans	-64.6	-42.2	177.2	-71.7	170.6	0	0	0	111.4	K63 E64 Q70	K63-L67 WeakPolarHBondContact O-CG 3.28Å; K63-L67 PolarHBondContact O-N 3.42Å; E64-L67 PolarHBondContact O-N 3.45Å; L67-Q70 WeakPolarHBondContact O-CB 3.21Å; L67-Q70 PolarHBondContact O-N 2.75Å
68	K	85.6	Confident	86.7	Confident	49 Å²	49	67 Å²	67	21%	0.213	35%	0.345	C	S	.	.	H	α-helix	trans	-68.8	-40.1	176.3	-72.3	-61.8	-177.2	-175.9	0	113.1	E64 A65 Q70 E71	E64-K68 PolarHBondContact O-N 2.84Å; E64-K68 VanDerWaalsContact O-N 3.13Å; A65-K68 PolarHBondContact O-N 3.22Å; K68-Q70 PolarHBondContact O-N 3.44Å; K68-E71 WeakPolarHBondContact CD-OE1 3.32Å; K68-E71 IonicContact NZ-OE1 3.02Å; K68-E71 PolarHBondContact NZ-OE1 2.62Å; K68-E71 WeakPolarHBondContact O-CB 3.35Å; K68-E71 PolarHBondContact O-N 3.01Å
69	L	88.8	Confident	86.8	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-27.8	176.2	-167.2	67.4	0	0	0	112.6	I40 M42 C43 A65 A66 E71 F72 L88 H92	I40-L69 HydrophobicContact CG2-CD2 3.99Å; M42-L69 HydrophobicContact CB-CD2 4.03Å; M42-L69 HydrophobicContact CE-CG 4.41Å; C43-L69 WeakPolarHBondContact SG-CD2 3.41Å; A65-L69 VanDerWaalsContact O-CB 3.28Å; A65-L69 WeakPolarHBondContact O-CB 3.37Å; A65-L69 PolarHBondContact O-N 3.06Å; A66-L69 PolarHBondContact O-N 3.25Å; L69-E71 PolarHBondContact O-N 3.17Å; L69-F72 PolarHBondContact O-N 3.34Å; L69-F72 VanDerWaalsContact O-N 3.09Å; L69-L88 HydrophobicContact CD1-CB 3.68Å; L69-H92 HydrophobicContact CD1-CB 4.41Å
70	Q	87.6	Confident	86.7	Confident	124 Å²	124	68.2 Å²	68.2	58%	0.579	35%	0.354	S	S	*	.	H	α-helix	trans	-64.8	-25.7	177.2	-171.8	173.3	-8.3	0	0	113	A66 L67 K68 F72 A73	A66-Q70 WeakPolarHBondContact O-CB 3.47Å; A66-Q70 PolarHBondContact O-N 2.92Å; L67-Q70 WeakPolarHBondContact O-CB 3.21Å; L67-Q70 PolarHBondContact O-N 2.75Å; K68-Q70 PolarHBondContact O-N 3.44Å; Q70-F72 PolarHBondContact O-N 3.49Å; Q70-A73 WeakPolarHBondContact O-CB 3.37Å; Q70-A73 PolarHBondContact O-N 2.88Å
71	E	86.5	Confident	87	Confident	90 Å²	90	64.1 Å²	64.1	42%	0.421	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.7	173.5	-61	179.1	-166.4	0	0	111.2	L13 K68 L69	L13-E71 HydrophobicContact CD2-CB 4.19Å; L13-E71 HydrophobicContact CD2-CG 4.04Å; K68-E71 WeakPolarHBondContact CD-OE1 3.32Å; K68-E71 IonicContact NZ-OE1 3.02Å; K68-E71 PolarHBondContact NZ-OE1 2.62Å; K68-E71 WeakPolarHBondContact O-CB 3.35Å; K68-E71 PolarHBondContact O-N 3.01Å; L69-E71 PolarHBondContact O-N 3.17Å
72	F	87.8	Confident	87	Confident	35 Å²	35	65.2 Å²	65.2	15%	0.154	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	0.3	177.3	-61.6	-79.6	0	0	0	114.3	L69 Q70 T74 L75 I76 L88 L133	L69-F72 PolarHBondContact O-N 3.34Å; L69-F72 VanDerWaalsContact O-N 3.09Å; Q70-F72 PolarHBondContact O-N 3.49Å; F72-T74 VanDerWaalsContact C-N 3.29Å; F72-T74 PolarHBondContact O-N 2.79Å; F72-L75 HydrophobicContact CD1-CD2 4.28Å; F72-L75 PolarHBondContact O-N 2.86Å; F72-I76 HydrophobicContact CB-CD1 4.28Å; F72-I76 WeakPolarHBondContact O-CG1 3.45Å; F72-I76 PolarHBondContact O-N 2.85Å; F72-L88 HydrophobicContact CB-CD1 3.76Å; F72-L88 HydrophobicContact CD1-CD1 4.43Å; F72-L88 HydrophobicContact CG-CD1 4.05Å; F72-L88 HydrophobicContact CG-CD2 4.42Å; F72-L133 HydrophobicContact CE1-CD1 4.03Å; F72-L133 HydrophobicContact CZ-CD1 4.11Å
73	A	84.9	Confident	86.9	Confident	20 Å²	20	66 Å²	66	17%	0.165	35%	0.348	C	S	.	.	H	α-helix	trans	-58.3	-39.5	-175.1	0	0	0	0	0	113	M42 Q70 I76 Q77	M42-A73 HydrophobicContact CE-CB 3.96Å; M42-A73 HydrophobicContact SD-CB 4.25Å; Q70-A73 WeakPolarHBondContact O-CB 3.37Å; Q70-A73 PolarHBondContact O-N 2.88Å; A73-I76 PolarHBondContact O-N 3.11Å; A73-Q77 WeakPolarHBondContact O-CB 3.46Å; A73-Q77 VanDerWaalsContact O-CG 3.31Å; A73-Q77 WeakPolarHBondContact O-CG 3.45Å; A73-Q77 PolarHBondContact O-N 3.42Å
74	T	82.1	Confident	87	Confident	93 Å²	93	58.8 Å²	58.8	57%	0.571	32%	0.317	S	S	*	.	H	α-helix	trans	-66.4	-39	176.9	-49.6	0	0	0	0	111.6	F72 Q77 F78	F72-T74 VanDerWaalsContact C-N 3.29Å; F72-T74 PolarHBondContact O-N 2.79Å; T74-Q77 PolarHBondContact O-N 3.19Å; T74-F78 WeakPolarHBondContact O-CB 3.13Å; T74-F78 PolarHBondContact O-N 3.2Å
75	L	82.9	Confident	87	Confident	23 Å²	23	58.6 Å²	58.6	12%	0.12	32%	0.315	C	S	.	.	H	α-helix	trans	-69.4	-37.9	178.4	-172.2	66.4	0	0	0	111.3	F72 F78 G79 L84 I121 L122	F72-L75 HydrophobicContact CD1-CD2 4.28Å; F72-L75 PolarHBondContact O-N 2.86Å; L75-F78 WeakPolarHBondContact O-CB 3.25Å; L75-F78 PolarHBondContact O-N 2.96Å; L75-G79 PolarHBondContact O-N 3.01Å; L75-L84 HydrophobicContact CD2-CD2 4.26Å; L75-L84 HydrophobicContact CG-CD2 3.91Å; L75-I121 HydrophobicContact CD1-CG2 4.42Å; L75-L122 HydrophobicContact CD1-CD2 4.26Å; L75-L122 HydrophobicContact CD2-CD1 4.49Å; L75-L122 HydrophobicContact CD2-CD2 4.29Å
76	I	85.2	Confident	87.1	Confident	38 Å²	38	59.5 Å²	59.5	20%	0.195	32%	0.319	C	S	.	.	H	α-helix	trans	-65.1	-43.3	173.7	-68.8	162.3	0	0	0	110.7	M42 F72 A73 F78 G79 L84 K85 L88	M42-I76 HydrophobicContact CE-CD1 3.27Å; F72-I76 HydrophobicContact CB-CD1 4.28Å; F72-I76 WeakPolarHBondContact O-CG1 3.45Å; F72-I76 PolarHBondContact O-N 2.85Å; A73-I76 PolarHBondContact O-N 3.11Å; I76-F78 VanDerWaalsContact C-N 3.3Å; I76-F78 PolarHBondContact O-N 3.3Å; I76-G79 PolarHBondContact O-N 3.41Å; I76-G79 VanDerWaalsContact O-N 3.15Å; I76-L84 HydrophobicContact CG1-CD2 4.07Å; I76-L84 HydrophobicContact CG1-CG 4.28Å; I76-K85 HydrophobicContact CG2-CB 4.34Å; I76-L88 HydrophobicContact CD1-CD1 3.76Å; I76-L88 HydrophobicContact CG1-CD1 3.9Å
77	Q	81.4	Confident	87.3	Confident	165 Å²	165	58.4 Å²	58.4	77%	0.771	31%	0.309	S	S	*	.	H	α-helix	trans	-66	-31.7	175.4	-74.8	177.4	13	0	0	112.9	A73 T74 G79	A73-Q77 WeakPolarHBondContact O-CB 3.46Å; A73-Q77 VanDerWaalsContact O-CG 3.31Å; A73-Q77 WeakPolarHBondContact O-CG 3.45Å; A73-Q77 PolarHBondContact O-N 3.42Å; T74-Q77 PolarHBondContact O-N 3.19Å; Q77-G79 PolarHBondContact O-N 3.45Å
78	F	83.8	Confident	87.5	Confident	130 Å²	130	52.8 Å²	52.8	57%	0.57	28%	0.28	S	S	*	.	H	α-helix	trans	-65	-30.5	173.5	-169	-86.2	0	0	0	112	T74 L75 I76 C80 I121	T74-F78 WeakPolarHBondContact O-CB 3.13Å; T74-F78 PolarHBondContact O-N 3.2Å; L75-F78 WeakPolarHBondContact O-CB 3.25Å; L75-F78 PolarHBondContact O-N 2.96Å; I76-F78 VanDerWaalsContact C-N 3.3Å; I76-F78 PolarHBondContact O-N 3.3Å; F78-C80 HydrophobicContact CD1-CB 4.44Å; F78-I121 HydrophobicContact CD1-CD1 3.8Å; F78-I121 HydrophobicContact CD1-CG2 4.18Å; F78-I121 HydrophobicContact CE1-CD1 3.39Å; F78-I121 HydrophobicContact CE1-CG1 3.9Å; F78-I121 HydrophobicContact CE1-CG2 3.99Å; F78-I121 HydrophobicContact CZ-CD1 4.4Å; F78-I121 HydrophobicContact CZ-CG1 4.5Å; F78-I121 HydrophobicContact CZ-CG2 4.27Å
79	G	84.2	Confident	87.9	Confident	51 Å²	51	50.5 Å²	50.5	53%	0.526	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	39.5	167.5	0	0	0	0	0	115.1	L75 I76 Q77 H81	L75-G79 PolarHBondContact O-N 3.01Å; I76-G79 PolarHBondContact O-N 3.41Å; I76-G79 VanDerWaalsContact O-N 3.15Å; Q77-G79 PolarHBondContact O-N 3.45Å; G79-H81 VanDerWaalsContact C-N 3.26Å; G79-H81 PolarHBondContact O-N 3.22Å
80	C	87.8	Confident	88.1	Confident	23 Å²	23	50.4 Å²	50.4	16%	0.155	27%	0.27	C	S	.	.	S	Bend	trans	-63.5	-24.6	-178.6	52.8	0	0	0	0	115.3	F78 L84 K117 C118 I121	F78-C80 HydrophobicContact CD1-CB 4.44Å; C80-L84 VanDerWaalsContact SG-CD2 3.59Å; C80-K117 WeakPolarHBondContact O-CB 3.35Å; C80-C118 HydrophobicContact CB-CB 3.96Å; C80-C118 WeakPolarHBondContact CB-SG 3.18Å; C80-C118 WeakPolarHBondContact SG-CB 3.26Å; C80-C118 CovalentContact SG-SG 2.03Å; C80-C118 PolarHBondContact SG-SG 3.43Å; C80-I121 HydrophobicContact CB-CD1 3.28Å
81	H	90.4	Very high	88.2	Confident	37 Å²	37	44.6 Å²	44.6	17%	0.171	24%	0.242	C	C	.	.			trans	-151.5	142.6	174.5	-165.1	-110.3	0	0	0	110.6	G79 H83 L84 V114 K117	G79-H81 VanDerWaalsContact C-N 3.26Å; G79-H81 PolarHBondContact O-N 3.22Å; H81-H83 AromaticContact CE1-CD2 3.56Å; H81-H83 PolarHBondContact ND1-N 3.04Å; H81-H83 PolarHBondContact O-N 3.29Å; H81-L84 HydrophobicContact CB-CB 4.42Å; H81-L84 WeakPolarHBondContact O-CB 3.27Å; H81-L84 PolarHBondContact O-N 2.88Å; H81-V114 HydrophobicContact CB-CG2 4.32Å; H81-V114 VanDerWaalsContact ND1-CG2 3.35Å; H81-V114 WeakPolarHBondContact ND1-CG2 3.36Å; H81-K117 HydrophobicContact CB-CB 4.33Å
82	S	88.6	Confident	88.5	Confident	95 Å²	95	40.5 Å²	40.5	66%	0.664	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.8	179.7	53.8	0	0	0	0	112.5
83	H	89.6	Confident	88.7	Confident	26 Å²	26	38.8 Å²	38.8	12%	0.12	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.1	-178.3	-56.4	-55.9	0	0	0	114.4	H81 K85 F86 F87 M110 V114 P152	H81-H83 AromaticContact CE1-CD2 3.56Å; H81-H83 PolarHBondContact ND1-N 3.04Å; H81-H83 PolarHBondContact O-N 3.29Å; H83-K85 PolarHBondContact O-N 3.41Å; H83-F86 PolarHBondContact O-N 2.95Å; H83-F87 VanDerWaalsContact O-CB 3.3Å; H83-F87 WeakPolarHBondContact O-CB 3.15Å; H83-F87 PolarHBondContact O-N 3.2Å; H83-M110 HydrophobicContact CB-CG 4.02Å; H83-M110 HydrophobicContact CB-SD 3.87Å; H83-V114 HydrophobicContact CB-CG2 4.31Å; H83-P152 PolarHBondContact CE1-O 3.3Å
84	L	91.4	Very high	89.1	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-47.1	-179.9	173.7	66	0	0	0	111.9	L75 I76 C80 H81 F86 F87 L88 V114	L75-L84 HydrophobicContact CD2-CD2 4.26Å; L75-L84 HydrophobicContact CG-CD2 3.91Å; I76-L84 HydrophobicContact CG1-CD2 4.07Å; I76-L84 HydrophobicContact CG1-CG 4.28Å; C80-L84 VanDerWaalsContact SG-CD2 3.59Å; H81-L84 HydrophobicContact CB-CB 4.42Å; H81-L84 WeakPolarHBondContact O-CB 3.27Å; H81-L84 PolarHBondContact O-N 2.88Å; L84-F86 VanDerWaalsContact C-N 3.33Å; L84-F86 PolarHBondContact O-N 3.47Å; L84-F87 PolarHBondContact O-N 3.2Å; L84-L88 HydrophobicContact CD1-CD1 3.76Å; L84-L88 HydrophobicContact CD1-CG 3.98Å; L84-L88 HydrophobicContact CG-CD1 3.99Å; L84-L88 WeakPolarHBondContact O-CG 3.4Å; L84-L88 PolarHBondContact O-N 2.98Å; L84-V114 HydrophobicContact CB-CG1 4.22Å; L84-V114 HydrophobicContact CD1-CG1 3.48Å; L84-V114 VanDerWaalsContact CD1-CG1 3.48Å; L84-V114 HydrophobicContact CG-CG1 4.46Å
85	K	91	Very high	89.5	Confident	83 Å²	83	36.5 Å²	36.5	36%	0.361	20%	0.196	S	C	.	.	H	α-helix	trans	-58.5	-47.3	178.2	-177.6	-169.9	175.9	-163.8	0	110.8	M42 K44 I76 H83 C89	M42-K85 WeakPolarHBondContact O-CE 3.36Å; K44-K85 PolarHBondContact O-NZ 3.47Å; I76-K85 HydrophobicContact CG2-CB 4.34Å; H83-K85 PolarHBondContact O-N 3.41Å; K85-C89 WeakPolarHBondContact O-CB 3.46Å; K85-C89 PolarHBondContact O-N 3.25Å; K85-C89 VanDerWaalsContact O-N 3.08Å; K85-C89 PolarHBondContact O-SG 3.04Å
86	F	92.2	Very high	89.7	Confident	20 Å²	20	35.9 Å²	35.9	9%	0.088	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-44.7	-179.8	-175.8	-91.3	0	0	0	111.7	I46 Y48 H83 L84 C89 S90 M110 M149 P152	I46-F86 HydrophobicContact CB-CD2 4.23Å; I46-F86 WeakPolarHBondContact O-CD2 3.34Å; I46-F86 WeakPolarHBondContact O-CE2 3.42Å; Y48-F86 HydrophobicContact CD1-CE2 4.37Å; Y48-F86 AromaticContact CE1-CE2 3.95Å; Y48-F86 HydrophobicContact CE1-CE2 3.95Å; Y48-F86 HydrophobicContact CE1-CZ 4.23Å; H83-F86 PolarHBondContact O-N 2.95Å; L84-F86 VanDerWaalsContact C-N 3.33Å; L84-F86 PolarHBondContact O-N 3.47Å; F86-C89 PolarHBondContact O-N 3.22Å; F86-S90 PolarHBondContact O-N 3.26Å; F86-M110 HydrophobicContact CD1-CE 3.5Å; F86-M110 HydrophobicContact CD1-SD 3.58Å; F86-M110 VanDerWaalsContact CD1-SD 3.58Å; F86-M110 HydrophobicContact CE1-CE 3.65Å; F86-M110 HydrophobicContact CE1-SD 4.02Å; F86-M149 HydrophobicContact CE1-CB 4.26Å; F86-M149 HydrophobicContact CZ-CB 4.24Å; F86-M149 HydrophobicContact CZ-CE 4.48Å; F86-M149 HydrophobicContact CZ-SD 4.08Å; F86-P152 HydrophobicContact CD1-CG 4.2Å; F86-P152 HydrophobicContact CD2-CG 3.64Å; F86-P152 HydrophobicContact CE1-CG 4.14Å; F86-P152 HydrophobicContact CE2-CG 3.59Å; F86-P152 HydrophobicContact CG-CG 3.97Å; F86-P152 HydrophobicContact CZ-CG 3.85Å
87	F	93.3	Very high	89.6	Confident	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-51.3	176.6	168.9	-111.7	0	0	0	112.3	H83 L84 C89 S90 L91 A106 M110 C111 V114 W129 L133 L138	H83-F87 VanDerWaalsContact O-CB 3.3Å; H83-F87 WeakPolarHBondContact O-CB 3.15Å; H83-F87 PolarHBondContact O-N 3.2Å; L84-F87 PolarHBondContact O-N 3.2Å; F87-C89 VanDerWaalsContact C-N 3.31Å; F87-C89 PolarHBondContact O-N 3.12Å; F87-S90 WeakPolarHBondContact O-CB 3.09Å; F87-S90 PolarHBondContact O-N 2.91Å; F87-S90 VanDerWaalsContact O-N 3.1Å; F87-S90 PolarHBondContact O-OG 2.72Å; F87-L91 HydrophobicContact CE1-CD1 4.23Å; F87-L91 HydrophobicContact CE2-CD1 3.98Å; F87-L91 HydrophobicContact CE2-CG 4.4Å; F87-L91 HydrophobicContact CZ-CD1 3.69Å; F87-L91 PolarHBondContact O-N 2.8Å; F87-A106 HydrophobicContact CD2-CB 3.93Å; F87-M110 HydrophobicContact CB-CE 4.45Å; F87-C111 HydrophobicContact CD2-CB 4.12Å; F87-C111 HydrophobicContact CE2-CB 3.5Å; F87-C111 VanDerWaalsContact CE2-CB 3.5Å; F87-C111 VanDerWaalsContact CE2-SG 3.57Å; F87-C111 HydrophobicContact CZ-CB 3.94Å; F87-C111 WeakPolarHBondContact CZ-SG 3.46Å; F87-V114 HydrophobicContact CB-CG2 4.15Å; F87-V114 HydrophobicContact CD1-CB 4.47Å; F87-V114 HydrophobicContact CD1-CG1 4.02Å; F87-V114 HydrophobicContact CG-CG2 4.49Å; F87-W129 HydrophobicContact CE1-CZ2 4.21Å; F87-L133 HydrophobicContact CE1-CD2 4.2Å; F87-L133 HydrophobicContact CZ-CD2 4.42Å; F87-L138 HydrophobicContact CE2-CD1 3.83Å
88	L	93	Very high	89.5	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-38.8	-179.9	-69.1	171.4	0	0	0	112	L69 F72 I76 L84 S90 L91 H92 L133	L69-L88 HydrophobicContact CD1-CB 3.68Å; F72-L88 HydrophobicContact CB-CD1 3.76Å; F72-L88 HydrophobicContact CD1-CD1 4.43Å; F72-L88 HydrophobicContact CG-CD1 4.05Å; F72-L88 HydrophobicContact CG-CD2 4.42Å; I76-L88 HydrophobicContact CD1-CD1 3.76Å; I76-L88 HydrophobicContact CG1-CD1 3.9Å; L84-L88 HydrophobicContact CD1-CD1 3.76Å; L84-L88 HydrophobicContact CD1-CG 3.98Å; L84-L88 HydrophobicContact CG-CD1 3.99Å; L84-L88 WeakPolarHBondContact O-CG 3.4Å; L84-L88 PolarHBondContact O-N 2.98Å; L88-S90 VanDerWaalsContact C-N 3.34Å; L88-L91 PolarHBondContact O-N 3.4Å; L88-H92 PolarHBondContact O-N 3.14Å; L88-H92 VanDerWaalsContact O-N 3.15Å; L88-H92 PolarHBondContact O-ND1 3.43Å; L88-L133 HydrophobicContact CD2-CD1 4Å; L88-L133 HydrophobicContact CD2-CD2 3.97Å
89	C	93.2	Very high	88.9	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-35.4	173.8	-71.9	0	0	0	0	112.5	C43 I46 K85 F86 F87 L91 H92 A93	C43-C89 WeakPolarHBondContact CA-SG 3.32Å; C43-C89 HydrophobicContact CB-CB 3.84Å; C43-C89 WeakPolarHBondContact CB-SG 3.47Å; C43-C89 VanDerWaalsContact SG-CA 3.55Å; C43-C89 WeakPolarHBondContact SG-CB 3.4Å; C43-C89 CovalentContact SG-SG 2.04Å; C43-C89 PolarHBondContact SG-SG 3.44Å; I46-C89 HydrophobicContact CD1-CB 3.48Å; I46-C89 VanDerWaalsContact CD1-CB 3.48Å; K85-C89 WeakPolarHBondContact O-CB 3.46Å; K85-C89 PolarHBondContact O-N 3.25Å; K85-C89 VanDerWaalsContact O-N 3.08Å; K85-C89 PolarHBondContact O-SG 3.04Å; F86-C89 PolarHBondContact O-N 3.22Å; F87-C89 VanDerWaalsContact C-N 3.31Å; F87-C89 PolarHBondContact O-N 3.12Å; C89-L91 PolarHBondContact O-N 3.42Å; C89-L91 VanDerWaalsContact O-N 3.15Å; C89-H92 PolarHBondContact O-N 2.9Å; C89-A93 CarbonylContact O-C 3.59Å; C89-A93 WeakPolarHBondContact O-CA 3.33Å; C89-A93 PolarHBondContact O-N 3.08Å; C89-A93 VanDerWaalsContact O-O 3.14Å
90	S	92.3	Very high	88.5	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.1	-18.2	176.5	79.5	0	0	0	0	114.3	F86 F87 L88 P94 A106	F86-S90 PolarHBondContact O-N 3.26Å; F87-S90 WeakPolarHBondContact O-CB 3.09Å; F87-S90 PolarHBondContact O-N 2.91Å; F87-S90 VanDerWaalsContact O-N 3.1Å; F87-S90 PolarHBondContact O-OG 2.72Å; L88-S90 VanDerWaalsContact C-N 3.34Å; S90-P94 WeakPolarHBondContact O-CA 3.41Å; S90-P94 WeakPolarHBondContact O-CB 3.37Å; S90-A106 WeakPolarHBondContact OG-CB 3.4Å; S90-A106 PolarHBondContact OG-N 3.31Å
91	L	91.5	Very high	87.7	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-94.7	-40.2	175.6	-61.1	177.3	0	0	0	112	L56 M57 F87 L88 C89 L133 L138	L56-L91 HydrophobicContact CD1-CD2 4.47Å; L56-L91 PolarHBondContact N-O 2.91Å; M57-L91 HydrophobicContact CG-CB 4.15Å; M57-L91 HydrophobicContact SD-CB 4.15Å; F87-L91 HydrophobicContact CE1-CD1 4.23Å; F87-L91 HydrophobicContact CE2-CD1 3.98Å; F87-L91 HydrophobicContact CE2-CG 4.4Å; F87-L91 HydrophobicContact CZ-CD1 3.69Å; F87-L91 PolarHBondContact O-N 2.8Å; L88-L91 PolarHBondContact O-N 3.4Å; C89-L91 PolarHBondContact O-N 3.42Å; C89-L91 VanDerWaalsContact O-N 3.15Å; L91-L133 HydrophobicContact CD1-CD2 3.47Å; L91-L133 VanDerWaalsContact CD1-CD2 3.47Å; L91-L138 HydrophobicContact CD2-CD2 4.09Å
92	H	91.8	Very high	87.1	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.019	21%	0.21	C	C	.	.	H	α-helix	trans	-90.3	-21.2	-174.7	-66.4	75	0	0	0	113.6	N55 H59 A65 L69 L88 C89	N55-H92 PolarHBondContact ND2-O 3.21Å; H59-H92 AromaticContact CE1-CD2 3.98Å; A65-H92 HydrophobicContact CB-CB 4.46Å; L69-H92 HydrophobicContact CD1-CB 4.41Å; L88-H92 PolarHBondContact O-N 3.14Å; L88-H92 VanDerWaalsContact O-N 3.15Å; L88-H92 PolarHBondContact O-ND1 3.43Å; C89-H92 PolarHBondContact O-N 2.9Å
93	A	93.3	Very high	86.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-146.9	65.2	175.4	0	0	0	0	0	109.7	I40 Y48 T51 C89	I40-A93 HydrophobicContact CD1-CB 4.01Å; Y48-A93 VanDerWaalsContact CE2-O 3.25Å; Y48-A93 WeakPolarHBondContact CE2-O 3.46Å; Y48-A93 PolarHBondContact OH-O 2.81Å; T51-A93 HydrophobicContact CG2-CB 4.44Å; T51-A93 VanDerWaalsContact OG1-C 3.25Å; T51-A93 VanDerWaalsContact OG1-CA 3.26Å; T51-A93 WeakPolarHBondContact OG1-CA 3.46Å; C89-A93 CarbonylContact O-C 3.59Å; C89-A93 WeakPolarHBondContact O-CA 3.33Å; C89-A93 PolarHBondContact O-N 3.08Å; C89-A93 VanDerWaalsContact O-O 3.14Å
94	P	92	Very high	86.8	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.			trans	-60.7	153.9	-176.6	27.1	-36	0	0	0	112.3	T51 L56 S90 C96 P103	T51-P94 VanDerWaalsContact CA-O 3.3Å; T51-P94 WeakPolarHBondContact CA-O 3.27Å; T51-P94 WeakPolarHBondContact CB-O 3.4Å; T51-P94 PolarHBondContact OG1-O 3.15Å; T51-P94 VanDerWaalsContact OG1-O 3.13Å; L56-P94 HydrophobicContact CD1-CB 4.05Å; L56-P94 HydrophobicContact CD1-CG 4.39Å; L56-P94 HydrophobicContact CG-CB 4.49Å; L56-P94 HydrophobicContact CG-CG 4.31Å; S90-P94 WeakPolarHBondContact O-CA 3.41Å; S90-P94 WeakPolarHBondContact O-CB 3.37Å; P94-C96 PolarHBondContact O-N 3.15Å; P94-P103 HydrophobicContact CB-CB 3.74Å; P94-P103 HydrophobicContact CG-CB 3.51Å; P94-P103 HydrophobicContact CG-CG 4.45Å
95	M	89.9	Confident	86.8	Confident	65 Å²	65	35.1 Å²	35.1	32%	0.32	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	134.6	179.7	-177.9	179.2	-172.9	0	0	110.7	Y48 I104 M149	Y48-M95 HydrophobicContact CD1-CB 4.28Å; Y48-M95 HydrophobicContact CD2-CB 3.96Å; Y48-M95 HydrophobicContact CD2-CG 4.19Å; Y48-M95 HydrophobicContact CE1-CB 4.35Å; Y48-M95 HydrophobicContact CE2-CB 4.04Å; Y48-M95 HydrophobicContact CG-CB 4.1Å; Y48-M95 HydrophobicContact CG-CG 4.08Å; Y48-M95 HydrophobicContact CG-SD 4.46Å; M95-I104 HydrophobicContact CB-CB 4.34Å; M95-I104 PolarHBondContact N-O 3.11Å; M95-I104 PolarHBondContact O-N 3.22Å; M95-M149 HydrophobicContact CB-CE 4.03Å; M95-M149 HydrophobicContact CB-SD 3.57Å; M95-M149 VanDerWaalsContact CB-SD 3.57Å; M95-M149 HydrophobicContact CG-SD 4.34Å; M95-M149 HydrophobicContact SD-CG 4.47Å; M95-M149 HydrophobicContact SD-SD 3.88Å
96	C	87.9	Confident	86.8	Confident	10 Å²	10	31.1 Å²	31.1	7%	0.068	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.4	176.8	-175.1	0	0	0	0	110.6	C35 M50 R52 P94	C35-C96 VanDerWaalsContact CA-SG 3.5Å; C35-C96 HydrophobicContact CB-CB 3.87Å; C35-C96 WeakPolarHBondContact CB-SG 3.37Å; C35-C96 WeakPolarHBondContact SG-CB 3.47Å; C35-C96 CovalentContact SG-SG 2.04Å; C35-C96 PolarHBondContact SG-SG 3.34Å; M50-C96 PolarHBondContact O-N 3.37Å; M50-C96 VanDerWaalsContact O-N 3.17Å; R52-C96 HydrophobicContact CB-CB 4.03Å; P94-C96 PolarHBondContact O-N 3.15Å
97	T	83.6	Confident	86.7	Confident	45 Å²	45	30.5 Å²	30.5	28%	0.276	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	144.1	172.7	-158.1	0	0	0	0	110	C35 Q99 V100	C35-T97 PolarHBondContact SG-N 3.16Å; T97-Q99 HydrophobicContact CG2-CB 4.39Å; T97-Q99 PolarHBondContact O-N 2.78Å; T97-Q99 VanDerWaalsContact O-N 3.07Å; T97-Q99 PolarHBondContact OG1-OE1 2.83Å; T97-V100 HydrophobicContact CG2-CB 3.86Å; T97-V100 HydrophobicContact CG2-CG2 3.69Å; T97-V100 PolarHBondContact O-N 2.89Å; T97-V100 VanDerWaalsContact O-N 3.07Å
98	E	78.7	Confident	86.5	Confident	145 Å²	145	33.9 Å²	33.9	68%	0.678	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.7	-174.9	-62.3	-66.4	151.4	0	0	113.4
99	Q	72	Confident	86.3	Confident	157 Å²	157	36.7 Å²	36.7	73%	0.734	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-12.3	176.9	-56	83.6	3.3	0	0	113.6	T97	T97-Q99 HydrophobicContact CG2-CB 4.39Å; T97-Q99 PolarHBondContact O-N 2.78Å; T97-Q99 VanDerWaalsContact O-N 3.07Å; T97-Q99 PolarHBondContact OG1-OE1 2.83Å
100	V	76	Confident	86	Confident	39 Å²	39	36.8 Å²	36.8	24%	0.236	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121.8	-176.1	-176.5	0	0	0	0	109	T97 N102 L147	T97-V100 HydrophobicContact CG2-CB 3.86Å; T97-V100 HydrophobicContact CG2-CG2 3.69Å; T97-V100 PolarHBondContact O-N 2.89Å; T97-V100 VanDerWaalsContact O-N 3.07Å; V100-N102 VanDerWaalsContact C-N 3.29Å; V100-N102 WeakPolarHBondContact CG1-O 3.28Å; V100-N102 PolarHBondContact O-N 3.14Å; V100-L147 HydrophobicContact CG1-CD1 3.99Å; V100-L147 HydrophobicContact CG2-CD1 3.68Å
101	S	70.3	Confident	86	Confident	82 Å²	82	36.8 Å²	36.8	57%	0.573	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	-28.6	-178.1	56.8	0	0	0	0	113.2	R52	R52-S101 PolarHBondContact NH1-O 3.38Å
102	N	77.6	Confident	86	Confident	46 Å²	46	41.7 Å²	41.7	25%	0.246	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.1	-173.4	-61.9	-10	0	0	0	111.7	V100	V100-N102 VanDerWaalsContact C-N 3.29Å; V100-N102 WeakPolarHBondContact CG1-O 3.28Å; V100-N102 PolarHBondContact O-N 3.14Å
103	P	83.8	Confident	85.9	Confident	13 Å²	13	43.6 Å²	43.6	8%	0.084	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.5	174.3	25.4	-32.1	0	0	0	111.3	W29 L56 P94 P105	W29-P103 HydrophobicContact CH2-CG 3.95Å; W29-P103 HydrophobicContact CZ2-CG 4.11Å; W29-P103 HydrophobicContact CZ3-CG 4.22Å; L56-P103 HydrophobicContact CD2-CG 4.08Å; L56-P103 HydrophobicContact CG-CG 4.42Å; P94-P103 HydrophobicContact CB-CB 3.74Å; P94-P103 HydrophobicContact CG-CB 3.51Å; P94-P103 HydrophobicContact CG-CG 4.45Å; P103-P105 WeakPolarHBondContact O-CD 3.4Å
104	I	88.8	Confident	85.8	Confident	20 Å²	20	43.6 Å²	43.6	10%	0.103	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.5	-175.5	-54.5	176.1	0	0	0	109.2	M95 L147 M149	M95-I104 HydrophobicContact CB-CB 4.34Å; M95-I104 PolarHBondContact N-O 3.11Å; M95-I104 PolarHBondContact O-N 3.22Å; I104-L147 HydrophobicContact CD1-CB 4.3Å; I104-L147 HydrophobicContact CD1-CD1 4.32Å; I104-L147 HydrophobicContact CG1-CB 4.26Å; I104-L147 HydrophobicContact CG2-CB 4.21Å; I104-M149 HydrophobicContact CG2-CG 3.94Å; I104-M149 WeakPolarHBondContact O-CE 3.19Å
105	P	90	Very high	85.8	Confident	4 Å²	4	47.1 Å²	47.1	3%	0.026	24%	0.24	C	C	.	.			trans	-86.8	178.5	175.3	32.8	-34	0	0	0	113.3	L56 P103 L138 P139 C148 M149	L56-P105 HydrophobicContact CD1-CB 3.57Å; L56-P105 HydrophobicContact CD1-CG 4.23Å; P103-P105 WeakPolarHBondContact O-CD 3.4Å; P105-L138 HydrophobicContact CB-CD2 3.86Å; P105-L138 HydrophobicContact CG-CD2 4.17Å; P105-P139 HydrophobicContact CG-CG 4.29Å; P105-C148 CarbonylContact O-C 3.53Å; P105-C148 VanDerWaalsContact O-CA 3.28Å; P105-C148 WeakPolarHBondContact O-CA 3.25Å; P105-M149 PolarHBondContact O-N 3.35Å
106	A	91.2	Very high	85.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-56.4	144.1	159	0	0	0	0	0	113.6	F87 S90 M110	F87-A106 HydrophobicContact CD2-CB 3.93Å; S90-A106 WeakPolarHBondContact OG-CB 3.4Å; S90-A106 PolarHBondContact OG-N 3.31Å; A106-M110 HydrophobicContact CB-CE 3.03Å
107	C	90.7	Very high	85.9	Confident	6 Å²	6	55.6 Å²	55.6	4%	0.041	28%	0.28	C	S	.	.			trans	-67.8	151.2	166.7	-59.8	0	0	0	0	111.6	V109 M110 C111 C148 M149	C107-V109 PolarHBondContact O-N 3.23Å; C107-M110 PolarHBondContact O-N 3.49Å; C107-M110 VanDerWaalsContact O-N 3.11Å; C107-C111 PolarHBondContact O-N 2.96Å; C107-C148 WeakPolarHBondContact CA-SG 3.41Å; C107-C148 HydrophobicContact CB-CB 3.92Å; C107-C148 WeakPolarHBondContact CB-SG 3.36Å; C107-C148 WeakPolarHBondContact SG-CB 3.4Å; C107-C148 PolarHBondContact SG-O 3.04Å; C107-C148 CovalentContact SG-SG 2.04Å; C107-C148 PolarHBondContact SG-SG 3.06Å; C107-M149 PolarHBondContact N-O 3.33Å; C107-M149 VanDerWaalsContact SG-C 3.57Å
108	R	89.3	Confident	86.2	Confident	72 Å²	72	53.4 Å²	53.4	27%	0.272	27%	0.267	S	S	.	.	H	α-helix	trans	-52.1	-40.6	-179.5	-178.1	176.7	-55.4	179.4	0.3	113.1	M110 C111 E112 C135 S136 L138 P139 T140	R108-M110 VanDerWaalsContact C-N 3.28Å; R108-M110 PolarHBondContact O-N 3.14Å; R108-C111 WeakPolarHBondContact O-CB 3.3Å; R108-C111 PolarHBondContact O-N 3.33Å; R108-E112 WeakPolarHBondContact CD-OE1 3.49Å; R108-E112 HydrophobicContact CG-CG 4.18Å; R108-E112 WeakPolarHBondContact CG-OE1 3.38Å; R108-E112 PolarHBondContact O-N 3.49Å; R108-C135 HydrophobicContact CG-CB 4.4Å; R108-C135 WeakPolarHBondContact CG-O 3.36Å; R108-C135 PolarHBondContact NE-O 3.2Å; R108-S136 PolarHBondContact NH2-O 3.02Å; R108-L138 HydrophobicContact CB-CB 4.13Å; R108-L138 VanDerWaalsContact CZ-O 3.28Å; R108-L138 PolarHBondContact NE-O 2.98Å; R108-L138 PolarHBondContact NH2-O 3.29Å; R108-P139 WeakPolarHBondContact CB-O 3.41Å; R108-P139 PolarHBondContact N-O 3.23Å; R108-T140 HydrophobicContact CB-CG2 4.23Å
109	V	87.6	Confident	86.7	Confident	60 Å²	60	47.2 Å²	47.2	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-56	-43.4	-178.9	179.6	0	0	0	0	111.3	C107 C111 E112 Q113	C107-V109 PolarHBondContact O-N 3.23Å; V109-C111 PolarHBondContact O-N 2.81Å; V109-E112 PolarHBondContact O-N 3.31Å; V109-Q113 VanDerWaalsContact O-CG 3.3Å; V109-Q113 WeakPolarHBondContact O-CG 3.34Å; V109-Q113 PolarHBondContact O-N 3.34Å
110	M	88.8	Confident	87.5	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.02	23%	0.227	C	C	.	.	H	α-helix	trans	-67.9	-37.1	178.8	-174.1	174	56.9	0	0	112	H83 F86 F87 A106 C107 R108 V114 A151	H83-M110 HydrophobicContact CB-CG 4.02Å; H83-M110 HydrophobicContact CB-SD 3.87Å; F86-M110 HydrophobicContact CD1-CE 3.5Å; F86-M110 HydrophobicContact CD1-SD 3.58Å; F86-M110 VanDerWaalsContact CD1-SD 3.58Å; F86-M110 HydrophobicContact CE1-CE 3.65Å; F86-M110 HydrophobicContact CE1-SD 4.02Å; F87-M110 HydrophobicContact CB-CE 4.45Å; A106-M110 HydrophobicContact CB-CE 3.03Å; C107-M110 PolarHBondContact O-N 3.49Å; C107-M110 VanDerWaalsContact O-N 3.11Å; R108-M110 VanDerWaalsContact C-N 3.28Å; R108-M110 PolarHBondContact O-N 3.14Å; M110-V114 WeakPolarHBondContact O-CB 3.48Å; M110-V114 VanDerWaalsContact O-CG2 3.25Å; M110-V114 WeakPolarHBondContact O-CG2 3.44Å; M110-V114 PolarHBondContact O-N 3.44Å; M110-A151 HydrophobicContact CG-CB 4.42Å; M110-A151 HydrophobicContact SD-CB 3.99Å
111	C	92	Very high	87.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-45	173.8	-178	0	0	0	0	111.6	F87 C107 R108 V109 Q113 V114 K115 C135 L138	F87-C111 HydrophobicContact CD2-CB 4.12Å; F87-C111 HydrophobicContact CE2-CB 3.5Å; F87-C111 VanDerWaalsContact CE2-CB 3.5Å; F87-C111 VanDerWaalsContact CE2-SG 3.57Å; F87-C111 HydrophobicContact CZ-CB 3.94Å; F87-C111 WeakPolarHBondContact CZ-SG 3.46Å; C107-C111 PolarHBondContact O-N 2.96Å; R108-C111 WeakPolarHBondContact O-CB 3.3Å; R108-C111 PolarHBondContact O-N 3.33Å; V109-C111 PolarHBondContact O-N 2.81Å; C111-Q113 PolarHBondContact O-N 3.4Å; C111-V114 PolarHBondContact O-N 3.22Å; C111-K115 VanDerWaalsContact O-CB 3.26Å; C111-K115 WeakPolarHBondContact O-CB 3.21Å; C111-K115 PolarHBondContact O-N 3.01Å; C111-C135 HydrophobicContact CB-CB 3.68Å; C111-C135 WeakPolarHBondContact CB-SG 3.48Å; C111-C135 PolarHBondContact O-SG 3.44Å; C111-C135 VanDerWaalsContact O-SG 3.39Å; C111-C135 WeakPolarHBondContact SG-CA 3.18Å; C111-C135 WeakPolarHBondContact SG-CB 3.4Å; C111-C135 CovalentContact SG-SG 2.04Å; C111-C135 PolarHBondContact SG-SG 3.27Å; C111-L138 HydrophobicContact CB-CD1 3.59Å
112	E	91.3	Very high	88.5	Confident	103 Å²	103	40.4 Å²	40.4	48%	0.481	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-41.2	179.6	-71.6	176.1	174.4	0	0	111.6	R108 V109 K115 L116 C135	R108-E112 WeakPolarHBondContact CD-OE1 3.49Å; R108-E112 HydrophobicContact CG-CG 4.18Å; R108-E112 WeakPolarHBondContact CG-OE1 3.38Å; R108-E112 PolarHBondContact O-N 3.49Å; V109-E112 PolarHBondContact O-N 3.31Å; E112-K115 PolarHBondContact O-N 2.93Å; E112-L116 VanDerWaalsContact O-CB 3.28Å; E112-L116 WeakPolarHBondContact O-CB 3.29Å; E112-L116 PolarHBondContact O-N 2.99Å; E112-C135 HydrophobicContact CG-CB 4.01Å
113	Q	89.4	Confident	88.9	Confident	45 Å²	45	43.8 Å²	43.8	21%	0.21	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-46.4	174.6	-71.7	171.9	-8	0	0	112.1	V109 C111 L116 K117 E158	V109-Q113 VanDerWaalsContact O-CG 3.3Å; V109-Q113 WeakPolarHBondContact O-CG 3.34Å; V109-Q113 PolarHBondContact O-N 3.34Å; C111-Q113 PolarHBondContact O-N 3.4Å; Q113-L116 PolarHBondContact O-N 3.04Å; Q113-K117 PolarHBondContact O-N 2.91Å; Q113-E158 PolarHBondContact NE2-OE2 3.14Å
114	V	91.8	Very high	88.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63	-47	176.4	171.1	0	0	0	0	110.7	H81 H83 L84 F87 M110 C111 L116 K117 C118 W129	H81-V114 HydrophobicContact CB-CG2 4.32Å; H81-V114 VanDerWaalsContact ND1-CG2 3.35Å; H81-V114 WeakPolarHBondContact ND1-CG2 3.36Å; H83-V114 HydrophobicContact CB-CG2 4.31Å; L84-V114 HydrophobicContact CB-CG1 4.22Å; L84-V114 HydrophobicContact CD1-CG1 3.48Å; L84-V114 VanDerWaalsContact CD1-CG1 3.48Å; L84-V114 HydrophobicContact CG-CG1 4.46Å; F87-V114 HydrophobicContact CB-CG2 4.15Å; F87-V114 HydrophobicContact CD1-CB 4.47Å; F87-V114 HydrophobicContact CD1-CG1 4.02Å; F87-V114 HydrophobicContact CG-CG2 4.49Å; M110-V114 WeakPolarHBondContact O-CB 3.48Å; M110-V114 VanDerWaalsContact O-CG2 3.25Å; M110-V114 WeakPolarHBondContact O-CG2 3.44Å; M110-V114 PolarHBondContact O-N 3.44Å; C111-V114 PolarHBondContact O-N 3.22Å; V114-L116 PolarHBondContact O-N 2.96Å; V114-K117 PolarHBondContact O-N 3.25Å; V114-C118 WeakPolarHBondContact O-CB 3.49Å; V114-C118 PolarHBondContact O-N 3.14Å; V114-C118 PolarHBondContact O-SG 3.43Å; V114-W129 HydrophobicContact CG1-CH2 4.18Å
115	K	91.8	Very high	88.5	Confident	73 Å²	73	58.3 Å²	58.3	32%	0.317	27%	0.274	S	S	.	.	H	α-helix	trans	-60	-44.1	178.8	-179.2	175.2	-179.1	178.8	0	111.4	C111 E112 K117 C118 S119 W129	C111-K115 VanDerWaalsContact O-CB 3.26Å; C111-K115 WeakPolarHBondContact O-CB 3.21Å; C111-K115 PolarHBondContact O-N 3.01Å; E112-K115 PolarHBondContact O-N 2.93Å; K115-K117 VanDerWaalsContact C-N 3.26Å; K115-K117 PolarHBondContact O-N 2.73Å; K115-C118 PolarHBondContact O-N 2.82Å; K115-S119 WeakPolarHBondContact O-CB 2.85Å; K115-S119 PolarHBondContact O-N 3.02Å; K115-W129 HydrophobicContact CB-CD2 4.33Å; K115-W129 HydrophobicContact CB-CH2 4.24Å; K115-W129 HydrophobicContact CB-CZ2 4.01Å; K115-W129 HydrophobicContact CB-CZ3 4.49Å; K115-W129 HydrophobicContact CD-CD2 4.17Å; K115-W129 HydrophobicContact CD-CG 4.06Å; K115-W129 HydrophobicContact CG-CD2 3.76Å; K115-W129 HydrophobicContact CG-CE3 4.14Å; K115-W129 HydrophobicContact CG-CG 4.06Å; K115-W129 HydrophobicContact CG-CZ2 4.31Å
116	L	91.8	Very high	88.1	Confident	129 Å²	129	65.3 Å²	65.3	68%	0.675	31%	0.31	S	S	*	.	H	α-helix	trans	-57.8	-38.8	179.6	-176.3	69.4	0	0	0	112.4	E112 Q113 V114 P120	E112-L116 VanDerWaalsContact O-CB 3.28Å; E112-L116 WeakPolarHBondContact O-CB 3.29Å; E112-L116 PolarHBondContact O-N 2.99Å; Q113-L116 PolarHBondContact O-N 3.04Å; V114-L116 PolarHBondContact O-N 2.96Å; L116-P120 WeakPolarHBondContact O-CD 3.49Å
117	K	87.9	Confident	87.8	Confident	124 Å²	124	71.1 Å²	71.1	54%	0.539	34%	0.336	S	S	.	.	H	α-helix	trans	-88.5	-31.9	-177.5	-63.5	-71.2	-172.4	173.1	0	113.2	C80 H81 Q113 V114 K115	C80-K117 WeakPolarHBondContact O-CB 3.35Å; H81-K117 HydrophobicContact CB-CB 4.33Å; Q113-K117 PolarHBondContact O-N 2.91Å; V114-K117 PolarHBondContact O-N 3.25Å; K115-K117 VanDerWaalsContact C-N 3.26Å; K115-K117 PolarHBondContact O-N 2.73Å
118	C	88.6	Confident	87.5	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-97.2	-25.9	-173.6	-60.5	0	0	0	0	114.3	C80 V114 K115 I121 L122 W129	C80-C118 HydrophobicContact CB-CB 3.96Å; C80-C118 WeakPolarHBondContact CB-SG 3.18Å; C80-C118 WeakPolarHBondContact SG-CB 3.26Å; C80-C118 CovalentContact SG-SG 2.03Å; C80-C118 PolarHBondContact SG-SG 3.43Å; V114-C118 WeakPolarHBondContact O-CB 3.49Å; V114-C118 PolarHBondContact O-N 3.14Å; V114-C118 PolarHBondContact O-SG 3.43Å; K115-C118 PolarHBondContact O-N 2.82Å; C118-I121 PolarHBondContact O-N 2.91Å; C118-L122 PolarHBondContact O-N 3.44Å; C118-W129 HydrophobicContact CB-CZ3 4.01Å
119	S	90.7	Very high	87.5	Confident	14 Å²	14	73.3 Å²	73.3	10%	0.098	36%	0.356	C	S	.	.	H	α-helix	trans	-58.8	-45.2	177.2	-165.6	0	0	0	0	113.3	K115 I121 L122 E123	K115-S119 WeakPolarHBondContact O-CB 2.85Å; K115-S119 PolarHBondContact O-N 3.02Å; S119-I121 PolarHBondContact O-N 3.45Å; S119-I121 VanDerWaalsContact O-N 3.12Å; S119-L122 PolarHBondContact O-N 3.25Å; S119-L122 VanDerWaalsContact O-N 3.1Å; S119-E123 WeakPolarHBondContact O-CG 3.43Å; S119-E123 PolarHBondContact O-N 3.4Å; S119-E123 PolarHBondContact OG-OE1 2.99Å
120	P	88.6	Confident	87.4	Confident	73 Å²	73	72.2 Å²	72.2	47%	0.474	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-26.7	-179.3	-24.1	35.3	0	0	0	113.7	L116 R124	L116-P120 WeakPolarHBondContact O-CD 3.49Å; P120-R124 PolarHBondContact O-N 3.22Å
121	I	83.8	Confident	87.1	Confident	33 Å²	33	78.4 Å²	78.4	17%	0.169	38%	0.384	C	S	.	.	H	α-helix	trans	-74.9	-43.1	177.9	-66.1	156.2	0	0	0	110.2	L75 F78 C80 C118 S119 E123 R124 F125	L75-I121 HydrophobicContact CD1-CG2 4.42Å; F78-I121 HydrophobicContact CD1-CD1 3.8Å; F78-I121 HydrophobicContact CD1-CG2 4.18Å; F78-I121 HydrophobicContact CE1-CD1 3.39Å; F78-I121 HydrophobicContact CE1-CG1 3.9Å; F78-I121 HydrophobicContact CE1-CG2 3.99Å; F78-I121 HydrophobicContact CZ-CD1 4.4Å; F78-I121 HydrophobicContact CZ-CG1 4.5Å; F78-I121 HydrophobicContact CZ-CG2 4.27Å; C80-I121 HydrophobicContact CB-CD1 3.28Å; C118-I121 PolarHBondContact O-N 2.91Å; S119-I121 PolarHBondContact O-N 3.45Å; S119-I121 VanDerWaalsContact O-N 3.12Å; I121-E123 VanDerWaalsContact C-N 3.34Å; I121-R124 WeakPolarHBondContact O-CB 3.36Å; I121-R124 PolarHBondContact O-N 3.48Å; I121-F125 HydrophobicContact CG2-CE2 4.42Å; I121-F125 VanDerWaalsContact O-CD2 3.23Å; I121-F125 WeakPolarHBondContact O-CD2 3.46Å
122	L	82.9	Confident	86.6	Confident	30 Å²	30	79.3 Å²	79.3	16%	0.157	39%	0.39	C	S	.	.	H	α-helix	trans	-62.9	-42.6	174.8	-68.4	173.8	0	0	0	111.2	L75 C118 S119 R124 F125 N126 F127 W129	L75-L122 HydrophobicContact CD1-CD2 4.26Å; L75-L122 HydrophobicContact CD2-CD1 4.49Å; L75-L122 HydrophobicContact CD2-CD2 4.29Å; C118-L122 PolarHBondContact O-N 3.44Å; S119-L122 PolarHBondContact O-N 3.25Å; S119-L122 VanDerWaalsContact O-N 3.1Å; L122-R124 VanDerWaalsContact C-N 3.28Å; L122-R124 PolarHBondContact O-N 2.97Å; L122-F125 CarbonylContact O-C 3.38Å; L122-F125 PolarHBondContact O-N 3.4Å; L122-N126 PolarHBondContact O-N 3.32Å; L122-F127 CarbonylContact C-O 3.59Å; L122-F127 HydrophobicContact CB-CB 4.28Å; L122-F127 VanDerWaalsContact CB-O 3.26Å; L122-F127 WeakPolarHBondContact CB-O 3.37Å; L122-F127 HydrophobicContact CD2-CB 4.47Å; L122-F127 PolarHBondContact O-N 2.93Å; L122-F127 VanDerWaalsContact O-O 3.12Å; L122-W129 HydrophobicContact CD1-CE3 3.88Å; L122-W129 HydrophobicContact CD1-CZ3 4.23Å
123	E	86.6	Confident	86.4	Confident	116 Å²	116	74.6 Å²	74.6	54%	0.542	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-35.1	178.3	-74.1	168.7	-153.4	0	0	112.5	S119 I121 F125 N126 F127	S119-E123 WeakPolarHBondContact O-CG 3.43Å; S119-E123 PolarHBondContact O-N 3.4Å; S119-E123 PolarHBondContact OG-OE1 2.99Å; I121-E123 VanDerWaalsContact C-N 3.34Å; E123-F125 PolarHBondContact O-N 3.17Å; E123-N126 PolarHBondContact O-N 3.41Å; E123-F127 PolarHBondContact N-O 3.22Å
124	R	81.6	Confident	86.3	Confident	210 Å²	210	74.5 Å²	74.5	79%	0.792	37%	0.369	S	S	*	.	H	α-helix	trans	-62.6	-24	175.6	-170.1	174.6	-176.1	178.1	2.4	113.3	P120 I121 L122	P120-R124 PolarHBondContact O-N 3.22Å; I121-R124 WeakPolarHBondContact O-CB 3.36Å; I121-R124 PolarHBondContact O-N 3.48Å; L122-R124 VanDerWaalsContact C-N 3.28Å; L122-R124 PolarHBondContact O-N 2.97Å
125	F	81.8	Confident	86.2	Confident	129 Å²	129	74.8 Å²	74.8	57%	0.566	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	17.4	175.6	-64.3	-76.2	0	0	0	112.5	I121 L122 E123 F127	I121-F125 HydrophobicContact CG2-CE2 4.42Å; I121-F125 VanDerWaalsContact O-CD2 3.23Å; I121-F125 WeakPolarHBondContact O-CD2 3.46Å; L122-F125 CarbonylContact O-C 3.38Å; L122-F125 PolarHBondContact O-N 3.4Å; E123-F125 PolarHBondContact O-N 3.17Å; F125-F127 VanDerWaalsContact C-N 3.28Å; F125-F127 HydrophobicContact CB-CD2 3.87Å; F125-F127 HydrophobicContact CB-CE2 4.24Å; F125-F127 WeakPolarHBondContact O-CD2 3.42Å; F125-F127 WeakPolarHBondContact O-CE2 3.44Å; F125-F127 PolarHBondContact O-N 2.95Å
126	N	82.8	Confident	85.9	Confident	150 Å²	150	75 Å²	75	80%	0.802	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	24.4	-178.8	-78.2	55.1	0	0	0	115.1	L122 E123	L122-N126 PolarHBondContact O-N 3.32Å; E123-N126 PolarHBondContact O-N 3.41Å
127	F	83.3	Confident	85.5	Confident	122 Å²	122	73.4 Å²	73.4	54%	0.535	37%	0.367	S	S	.	.			trans	-105.1	123.1	172.7	-65.9	-76.2	0	0	0	110.3	L122 E123 F125	L122-F127 CarbonylContact C-O 3.59Å; L122-F127 HydrophobicContact CB-CB 4.28Å; L122-F127 VanDerWaalsContact CB-O 3.26Å; L122-F127 WeakPolarHBondContact CB-O 3.37Å; L122-F127 HydrophobicContact CD2-CB 4.47Å; L122-F127 PolarHBondContact O-N 2.93Å; L122-F127 VanDerWaalsContact O-O 3.12Å; E123-F127 PolarHBondContact N-O 3.22Å; F125-F127 VanDerWaalsContact C-N 3.28Å; F125-F127 HydrophobicContact CB-CD2 3.87Å; F125-F127 HydrophobicContact CB-CE2 4.24Å; F125-F127 WeakPolarHBondContact O-CD2 3.42Å; F125-F127 WeakPolarHBondContact O-CE2 3.44Å; F125-F127 PolarHBondContact O-N 2.95Å
128	P	86.1	Confident	85.4	Confident	100 Å²	100	67.8 Å²	67.8	65%	0.649	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-73.6	160.9	172	31.2	-33.7	0	0	0	110.9	P130	P128-P130 WeakPolarHBondContact O-CD 3.2Å
129	W	87.4	Confident	85.3	Confident	24 Å²	24	68.5 Å²	68.5	9%	0.091	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-58.8	123.9	169.9	-173.8	-94.9	0	0	0	109.9	F87 V114 K115 C118 L122 L133	F87-W129 HydrophobicContact CE1-CZ2 4.21Å; V114-W129 HydrophobicContact CG1-CH2 4.18Å; K115-W129 HydrophobicContact CB-CD2 4.33Å; K115-W129 HydrophobicContact CB-CH2 4.24Å; K115-W129 HydrophobicContact CB-CZ2 4.01Å; K115-W129 HydrophobicContact CB-CZ3 4.49Å; K115-W129 HydrophobicContact CD-CD2 4.17Å; K115-W129 HydrophobicContact CD-CG 4.06Å; K115-W129 HydrophobicContact CG-CD2 3.76Å; K115-W129 HydrophobicContact CG-CE3 4.14Å; K115-W129 HydrophobicContact CG-CG 4.06Å; K115-W129 HydrophobicContact CG-CZ2 4.31Å; C118-W129 HydrophobicContact CB-CZ3 4.01Å; L122-W129 HydrophobicContact CD1-CE3 3.88Å; L122-W129 HydrophobicContact CD1-CZ3 4.23Å; W129-L133 HydrophobicContact CH2-CD1 4.24Å; W129-L133 HydrophobicContact CZ2-CB 3.71Å; W129-L133 HydrophobicContact CZ2-CD1 3.98Å; W129-L133 HydrophobicContact CZ2-CG 4.5Å; W129-L133 PolarHBondContact NE1-O 2.78Å
130	P	86.8	Confident	84.6	Confident	38 Å²	38	71.4 Å²	71.4	25%	0.247	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-62.2	139.1	-174.7	-24	33.3	0	0	0	113.2	P128 S132 L133	P128-P130 WeakPolarHBondContact O-CD 3.2Å; P130-S132 PolarHBondContact O-N 2.85Å; P130-L133 HydrophobicContact CB-CG 4.43Å; P130-L133 HydrophobicContact CG-CD1 4.27Å; P130-L133 PolarHBondContact O-N 3.48Å
131	D	83.2	Confident	83.8	Confident	134 Å²	134	75.2 Å²	75.2	72%	0.717	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-60.9	-25.9	173.9	-64.2	-32.1	0	0	0	112.3	L133 D134	D131-L133 PolarHBondContact O-N 3.29Å; D131-D134 WeakPolarHBondContact O-CB 3.44Å; D131-D134 PolarHBondContact O-N 2.92Å
132	S	81.2	Confident	83	Confident	18 Å²	18	77.5 Å²	77.5	13%	0.126	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-70.6	-6.5	173.8	64.2	0	0	0	0	113.7	I22 P130	I22-S132 WeakPolarHBondContact CD1-O 3.28Å; I22-S132 WeakPolarHBondContact CG1-O 3.34Å; P130-S132 PolarHBondContact O-N 2.85Å
133	L	87.2	Confident	82.3	Confident	4 Å²	4	80 Å²	80	2%	0.021	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-119.6	24.3	174.7	-60.6	179.4	0	0	0	111.8	F72 F87 L88 L91 W129 P130 D131 C135	F72-L133 HydrophobicContact CE1-CD1 4.03Å; F72-L133 HydrophobicContact CZ-CD1 4.11Å; F87-L133 HydrophobicContact CE1-CD2 4.2Å; F87-L133 HydrophobicContact CZ-CD2 4.42Å; L88-L133 HydrophobicContact CD2-CD1 4Å; L88-L133 HydrophobicContact CD2-CD2 3.97Å; L91-L133 HydrophobicContact CD1-CD2 3.47Å; L91-L133 VanDerWaalsContact CD1-CD2 3.47Å; W129-L133 HydrophobicContact CH2-CD1 4.24Å; W129-L133 HydrophobicContact CZ2-CB 3.71Å; W129-L133 HydrophobicContact CZ2-CD1 3.98Å; W129-L133 HydrophobicContact CZ2-CG 4.5Å; W129-L133 PolarHBondContact NE1-O 2.78Å; P130-L133 HydrophobicContact CB-CG 4.43Å; P130-L133 HydrophobicContact CG-CD1 4.27Å; P130-L133 PolarHBondContact O-N 3.48Å; D131-L133 PolarHBondContact O-N 3.29Å; L133-C135 PolarHBondContact O-N 3.45Å; L133-C135 VanDerWaalsContact O-N 3.16Å
134	D	86.3	Confident	81.1	Confident	44 Å²	44	80.7 Å²	80.7	24%	0.235	41%	0.414	C	S	.	.			trans	-66	112.4	-179.8	179.9	16	0	0	0	112.3	D131 S136 R137	D131-D134 WeakPolarHBondContact O-CB 3.44Å; D131-D134 PolarHBondContact O-N 2.92Å; D134-S136 PolarHBondContact O-N 3.08Å; D134-S136 VanDerWaalsContact O-N 3.12Å; D134-S136 WeakPolarHBondContact OD1-CB 3.4Å; D134-S136 PolarHBondContact OD1-N 3.45Å; D134-S136 VanDerWaalsContact OD1-N 3.1Å; D134-S136 PolarHBondContact OD1-OG 3.47Å; D134-R137 PolarHBondContact O-N 2.88Å; D134-R137 IonicContact OD2-NE 2.67Å
135	C	89.1	Confident	80.1	Confident	5 Å²	5	77.4 Å²	77.4	3%	0.034	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-60.2	-23.2	-178.6	-54.9	0	0	0	0	113.7	R108 C111 E112 L133 R137 L138	R108-C135 HydrophobicContact CG-CB 4.4Å; R108-C135 WeakPolarHBondContact CG-O 3.36Å; R108-C135 PolarHBondContact NE-O 3.2Å; C111-C135 HydrophobicContact CB-CB 3.68Å; C111-C135 WeakPolarHBondContact CB-SG 3.48Å; C111-C135 PolarHBondContact O-SG 3.44Å; C111-C135 VanDerWaalsContact O-SG 3.39Å; C111-C135 WeakPolarHBondContact SG-CA 3.18Å; C111-C135 WeakPolarHBondContact SG-CB 3.4Å; C111-C135 CovalentContact SG-SG 2.04Å; C111-C135 PolarHBondContact SG-SG 3.27Å; E112-C135 HydrophobicContact CG-CB 4.01Å; L133-C135 PolarHBondContact O-N 3.45Å; L133-C135 VanDerWaalsContact O-N 3.16Å; C135-R137 PolarHBondContact O-N 3.14Å; C135-R137 VanDerWaalsContact O-N 3.12Å; C135-L138 PolarHBondContact O-N 3.09Å; C135-L138 VanDerWaalsContact O-N 3.1Å
136	S	86.4	Confident	79.6	Confident	78 Å²	78	74.3 Å²	74.3	55%	0.545	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-62.4	-20.6	179.8	-46	0	0	0	0	112.9	R108 D134	R108-S136 PolarHBondContact NH2-O 3.02Å; D134-S136 PolarHBondContact O-N 3.08Å; D134-S136 VanDerWaalsContact O-N 3.12Å; D134-S136 WeakPolarHBondContact OD1-CB 3.4Å; D134-S136 PolarHBondContact OD1-N 3.45Å; D134-S136 VanDerWaalsContact OD1-N 3.1Å; D134-S136 PolarHBondContact OD1-OG 3.47Å
137	R	83.4	Confident	79.6	Confident	96 Å²	96	70.6 Å²	70.6	36%	0.362	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-85.8	-5.9	-179.9	-58.6	-179.8	-173.3	-160.6	4.5	113.7	I22 D134 C135	I22-R137 HydrophobicContact CD1-CB 4.49Å; I22-R137 HydrophobicContact CG2-CB 3.88Å; I22-R137 HydrophobicContact CG2-CG 4.49Å; I22-R137 PolarHBondContact O-NH1 2.88Å; D134-R137 PolarHBondContact O-N 2.88Å; D134-R137 IonicContact OD2-NE 2.67Å; C135-R137 PolarHBondContact O-N 3.14Å; C135-R137 VanDerWaalsContact O-N 3.12Å
138	L	86.7	Confident	79.9	Confident	6 Å²	6	65 Å²	65	3%	0.031	36%	0.358	C	S	.	.	S	Bend	trans	-96.1	149.4	-179.8	-65.5	172.6	0	0	0	112	F87 L91 P105 R108 C111 C135	F87-L138 HydrophobicContact CE2-CD1 3.83Å; L91-L138 HydrophobicContact CD2-CD2 4.09Å; P105-L138 HydrophobicContact CB-CD2 3.86Å; P105-L138 HydrophobicContact CG-CD2 4.17Å; R108-L138 HydrophobicContact CB-CB 4.13Å; R108-L138 VanDerWaalsContact CZ-O 3.28Å; R108-L138 PolarHBondContact NE-O 2.98Å; R108-L138 PolarHBondContact NH2-O 3.29Å; C111-L138 HydrophobicContact CB-CD1 3.59Å; C135-L138 PolarHBondContact O-N 3.09Å; C135-L138 VanDerWaalsContact O-N 3.1Å
139	P	84.9	Confident	80	Confident	14 Å²	14	61.3 Å²	61.3	9%	0.091	33%	0.332	C	S	.	.			trans	-68.9	146.4	176.1	30.4	-38	0	0	0	112	P105 R108 N146 C148	P105-P139 HydrophobicContact CG-CG 4.29Å; R108-P139 WeakPolarHBondContact CB-O 3.41Å; R108-P139 PolarHBondContact N-O 3.23Å; P139-N146 HydrophobicContact CB-CB 4.01Å; P139-C148 HydrophobicContact CB-CB 4.46Å; P139-C148 HydrophobicContact CG-CB 3.52Å
140	T	77.4	Confident	79.7	Confident	75 Å²	75	67 Å²	67	46%	0.46	36%	0.359	S	S	.	.	S	Bend	trans	-87.5	-31.3	-176.7	42.4	0	0	0	0	113.9	R108	R108-T140 HydrophobicContact CB-CG2 4.23Å
141	K	70.3	Confident	79.2	Confident	153 Å²	153	66.7 Å²	66.7	67%	0.665	36%	0.36	S	S	*	.	S	Bend	trans	-148.3	161.9	-179.1	-69.5	-170.4	176.7	-174.7	0	110.4	D143	K141-D143 PolarHBondContact O-N 3.23Å
142	N	67.9	Low	78.6	Confident	81 Å²	81	62.5 Å²	62.5	43%	0.433	34%	0.34	S	S	.	.			trans	-69	105.1	171.5	-74.7	-44.3	0	0	0	110.3	C148	N142-C148 PolarHBondContact OD1-N 3.49Å; N142-C148 PolarHBondContact OD1-O 3.04Å
143	D	67.9	Low	77.5	Confident	84 Å²	84	69.2 Å²	69.2	45%	0.449	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-114.1	159.2	171.8	-72	-41.5	0	0	0	109.8	K141 N145 N146	K141-D143 PolarHBondContact O-N 3.23Å; D143-N145 PolarHBondContact O-N 3.36Å; D143-N146 PolarHBondContact N-O 2.87Å; D143-N146 CarbonylContact O-C 3.54Å; D143-N146 PolarHBondContact O-N 3.4Å
144	P	61.1	Low	75.7	Confident	129 Å²	129	75.8 Å²	75.8	84%	0.838	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-24.9	-177.8	-25.7	33.3	0	0	0	115
145	N	61.8	Low	74	Confident	141 Å²	141	77.4 Å²	77.4	75%	0.754	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-9.6	179.6	-66.7	-7.1	0	0	0	113.6	D143	D143-N145 PolarHBondContact O-N 3.36Å
146	N	69.7	Low	71.7	Confident	65 Å²	65	81 Å²	81	35%	0.348	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-142.1	87.5	-173.5	-67.9	-59.1	0	0	0	110.1	P139 D143	P139-N146 HydrophobicContact CB-CB 4.01Å; D143-N146 PolarHBondContact N-O 2.87Å; D143-N146 CarbonylContact O-C 3.54Å; D143-N146 PolarHBondContact O-N 3.4Å
147	L	83.3	Confident	69.7	Low	71 Å²	71	84.1 Å²	84.1	37%	0.372	47%	0.473	S	S	.	.			trans	-84.8	143.2	174.9	-66.8	169.5	0	0	0	110.4	V100 I104	V100-L147 HydrophobicContact CG1-CD1 3.99Å; V100-L147 HydrophobicContact CG2-CD1 3.68Å; I104-L147 HydrophobicContact CD1-CB 4.3Å; I104-L147 HydrophobicContact CD1-CD1 4.32Å; I104-L147 HydrophobicContact CG1-CB 4.26Å; I104-L147 HydrophobicContact CG2-CB 4.21Å
148	C	88.9	Confident	67.3	Low	6 Å²	6	86.4 Å²	86.4	4%	0.041	49%	0.487	C	S	.	.			trans	-147.6	152.7	175.2	68.2	0	0	0	0	113	P105 C107 P139 N142	P105-C148 CarbonylContact O-C 3.53Å; P105-C148 VanDerWaalsContact O-CA 3.28Å; P105-C148 WeakPolarHBondContact O-CA 3.25Å; C107-C148 WeakPolarHBondContact CA-SG 3.41Å; C107-C148 HydrophobicContact CB-CB 3.92Å; C107-C148 WeakPolarHBondContact CB-SG 3.36Å; C107-C148 WeakPolarHBondContact SG-CB 3.4Å; C107-C148 PolarHBondContact SG-O 3.04Å; C107-C148 CovalentContact SG-SG 2.04Å; C107-C148 PolarHBondContact SG-SG 3.06Å; P139-C148 HydrophobicContact CB-CB 4.46Å; P139-C148 HydrophobicContact CG-CB 3.52Å; N142-C148 PolarHBondContact OD1-N 3.49Å; N142-C148 PolarHBondContact OD1-O 3.04Å
149	M	88.6	Confident	64.8	Low	22 Å²	22	91.6 Å²	91.6	11%	0.108	52%	0.521	C	S	.	.	B	Isolated β-bridge	trans	-87.4	122.3	178.4	-65.8	176.6	-67.1	0	0	110.2	Y48 F86 M95 I104 P105 C107	Y48-M149 HydrophobicContact CD1-SD 3.99Å; Y48-M149 HydrophobicContact CE1-CE 4.01Å; Y48-M149 HydrophobicContact CE1-SD 3.69Å; F86-M149 HydrophobicContact CE1-CB 4.26Å; F86-M149 HydrophobicContact CZ-CB 4.24Å; F86-M149 HydrophobicContact CZ-CE 4.48Å; F86-M149 HydrophobicContact CZ-SD 4.08Å; M95-M149 HydrophobicContact CB-CE 4.03Å; M95-M149 HydrophobicContact CB-SD 3.57Å; M95-M149 VanDerWaalsContact CB-SD 3.57Å; M95-M149 HydrophobicContact CG-SD 4.34Å; M95-M149 HydrophobicContact SD-CG 4.47Å; M95-M149 HydrophobicContact SD-SD 3.88Å; I104-M149 HydrophobicContact CG2-CG 3.94Å; I104-M149 WeakPolarHBondContact O-CE 3.19Å; P105-M149 PolarHBondContact O-N 3.35Å; C107-M149 PolarHBondContact N-O 3.33Å; C107-M149 VanDerWaalsContact SG-C 3.57Å
150	E	82.1	Confident	62.4	Low	142 Å²	142	97.1 Å²	97.1	66%	0.664	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-72.4	163	167	-66.2	178.2	178.5	0	0	110.3
151	A	75.1	Confident	60.2	Low	32 Å²	32	103.7 Å²	103.7	26%	0.264	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-59.1	133.3	179	0	0	0	0	0	110.1	M110 N153	M110-A151 HydrophobicContact CG-CB 4.42Å; M110-A151 HydrophobicContact SD-CB 3.99Å; A151-N153 PolarHBondContact O-N 3.28Å; A151-N153 VanDerWaalsContact O-N 3.16Å
152	P	71.1	Confident	58.4	Low	47 Å²	47	102 Å²	102	31%	0.305	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-56.9	123.6	173.9	-21.5	30.2	0	0	0	109.5	H83 F86 N154	H83-P152 PolarHBondContact CE1-O 3.3Å; F86-P152 HydrophobicContact CD1-CG 4.2Å; F86-P152 HydrophobicContact CD2-CG 3.64Å; F86-P152 HydrophobicContact CE1-CG 4.14Å; F86-P152 HydrophobicContact CE2-CG 3.59Å; F86-P152 HydrophobicContact CG-CG 3.97Å; F86-P152 HydrophobicContact CZ-CG 3.85Å; P152-N154 PolarHBondContact O-N 3.4Å
153	N	58.7	Low	56.4	Low	159 Å²	159	103.8 Å²	103.8	85%	0.85	60%	0.6	S	S	*	*			trans	-68.1	73.2	175.7	-97.4	-9.2	0	0	0	110.6	A151 G155	A151-N153 PolarHBondContact O-N 3.28Å; A151-N153 VanDerWaalsContact O-N 3.16Å; N153-G155 VanDerWaalsContact C-N 3.32Å; N153-G155 PolarHBondContact O-N 2.91Å
154	N	48.7	Very low	54.5	Low	142 Å²	142	107.9 Å²	107.9	76%	0.759	62%	0.616	S	S	*	*			trans	-79.7	93.7	153.3	-90.1	-0.7	0	0	0	105.4	P152 S156	P152-N154 PolarHBondContact O-N 3.4Å; N154-S156 PolarHBondContact O-N 3.1Å
155	G	51.1	Low	52.9	Low	77 Å²	77	108.3 Å²	108.3	79%	0.794	62%	0.617	S	S	*	*	S	Bend	trans	-33.9	93.5	-165.2	0	0	0	0	0	115.7	N153	N153-G155 VanDerWaalsContact C-N 3.32Å; N153-G155 PolarHBondContact O-N 2.91Å
156	S	41	Very low	51.1	Low	80 Å²	80	110 Å²	110	56%	0.559	62%	0.62	S	S	*	*			trans	-179	147.1	141.6	60.2	0	0	0	0	110.6	N154	N154-S156 PolarHBondContact O-N 3.1Å
157	D	43.9	Very low	49.3	Very low	145 Å²	145	112.2 Å²	112.2	78%	0.775	64%	0.638	S	S	*	*			trans	92.8	80.4	150.2	-49.3	-43.7	0	0	0	121.1
158	E	32.1	Very low	47.1	Very low	144 Å²	144	113.9 Å²	113.9	67%	0.673	65%	0.653	S	S	*	*			trans	-159.2	144.4	131.8	-152.9	161.7	164.2	0	0	113.2	Q113	Q113-E158 PolarHBondContact NE2-OE2 3.14Å
159	P	34.3	Very low	44	Very low	115 Å²	115	120.1 Å²	120.1	75%	0.747	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-90.7	149.9	178.4	26.6	-17.5	0	0	0	114.1
160	P	36.1	Very low	41	Very low	129 Å²	129	128 Å²	128	84%	0.838	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-86.6	144.9	-174.9	33.3	-32.5	0	0	0	113.8
161	K	30.7	Very low	38.3	Very low	213 Å²	213	131.1 Å²	131.1	93%	0.926	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-95.7	131.3	174.1	-154.7	174.1	-171.9	177.1	0	110.2
162	V	32.1	Very low	36.1	Very low	117 Å²	117	135.1 Å²	135.1	71%	0.709	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-64.3	140.6	-177.4	179	0	0	0	0	112.3
163	S	25.8	Very low	34	Very low	119 Å²	119	140.5 Å²	140.5	83%	0.832	77%	0.771	S	S	*	*			trans	-159.6	139.8	141.1	-79.8	0	0	0	0	111.9
164	H	29.3	Very low	32.5	Very low	170 Å²	170	141.3 Å²	141.3	79%	0.787	77%	0.769	S	S	*	*			trans	-68.4	146.3	-171.9	-67.3	-100.5	0	0	0	114.2
165	T	26	Very low	31.7	Very low	138 Å²	138	140.5 Å²	140.5	85%	0.847	77%	0.772	S	S	*	*				144.5	126.6	112.5	-40.5	0	0	0	0	111.6
166	Q	24.2	Very low	30.6	Very low	176 Å²	176	144.7 Å²	144.7	82%	0.822	78%	0.775	S	S	*	*			trans	-67.4	178.1	172.8	-113.3	172.6	-31.1	0	0	112.6
167	P	31.3	Very low	30	Very low	113 Å²	113	147 Å²	147	73%	0.734	79%	0.791	S	S	*	*			cis	-138	-153.6	14.6	44.6	-22	0	0	0	113.6
168	P	38	Very low	29.2	Very low	106 Å²	106	143 Å²	143	69%	0.688	78%	0.784	S	S	*	*				-114.2	172.3	-117	30.5	-6.7	0	0	0	114.1
169	D	24	Very low	29.1	Very low	136 Å²	136	144.9 Å²	144.9	73%	0.727	79%	0.792	S	S	*	*				155.5	156.9	115.8	-115.7	-30.8	0	0	0	114.6
170	F	24.5	Very low	28.8	Very low	189 Å²	189	145.8 Å²	145.8	83%	0.829	79%	0.791	S	S	*	*			trans	85.3	93.1	167.8	-71.7	-75.7	0	0	0	120.6
171	R	26.1	Very low	28.5	Very low	206 Å²	206	146.7 Å²	146.7	78%	0.777	79%	0.788	S	S	*	*			trans	-68.8	155.3	151.7	-153.1	-167.9	-105.4	172.1	-9.5	110.3
172	P	28.9	Very low	28.3	Very low	117 Å²	117	145.3 Å²	145.3	76%	0.76	79%	0.785	S	S	*	*				-141.4	120.8	97.5	20.9	0.5	0	0	0	112.7
173	Q	27	Very low	28.3	Very low	160 Å²	160	147.8 Å²	147.8	75%	0.748	79%	0.793	S	S	*	*				77.4	105.1	93.9	-83	-176.5	-25.4	0	0	114.8
174	Q	27.8	Very low	28.4	Very low	176 Å²	176	151.2 Å²	151.2	82%	0.822	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-96.1	148.4	155.8	-160.1	166.6	7.5	0	0	108.4
175	P	31.4	Very low	28.9	Very low	125 Å²	125	150.4 Å²	150.4	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-77.8	142.4	-176.2	-6.8	23.8	0	0	0	113
176	L	29.1	Very low	29.2	Very low	165 Å²	165	148.8 Å²	148.8	86%	0.864	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-66.7	148.8	175.4	-90.1	71.2	0	0	0	113.9
177	S	26.8	Very low	29.6	Very low	128 Å²	128	143.1 Å²	143.1	90%	0.895	78%	0.778	S	S	*	*				-171.6	126.7	115.3	-156.2	0	0	0	0	106.9
178	G	28.2	Very low	30	Very low	60 Å²	60	142.7 Å²	142.7	62%	0.619	78%	0.777	S	S	*	*			cis	141.4	104.4	12.1	0	0	0	0	0	107.3
179	Q	29.5	Very low	30.4	Very low	184 Å²	184	146.3 Å²	146.3	86%	0.86	78%	0.782	S	S	*	*			trans	161.6	99.7	139.4	-89.6	170.5	2.4	0	0	112.8
180	D	27.4	Very low	31.9	Very low	135 Å²	135	145.5 Å²	145.5	72%	0.722	77%	0.774	S	S	*	*			trans	53.5	99.6	132.4	-55.3	-35.8	0	0	0	119.6
181	L	30	Very low	33.8	Very low	147 Å²	147	143.3 Å²	143.3	77%	0.77	78%	0.776	S	S	*	*				77.5	91.6	87.8	-85.3	160.4	0	0	0	113.7
182	H	26.7	Very low	36.2	Very low	185 Å²	185	134.2 Å²	134.2	86%	0.856	74%	0.744	S	S	*	*				-150.9	96.3	123.3	-126	-94.2	0	0	0	109.5	K184	H182-K184 PolarHBondContact O-N 3.4Å
183	L	33	Very low	38.5	Very low	168 Å²	168	130.9 Å²	130.9	88%	0.88	72%	0.72	S	S	*	*			trans	-67.1	113.3	166.3	-132.2	91.4	0	0	0	107.1
184	K	27.5	Very low	40.7	Very low	191 Å²	191	128.1 Å²	128.1	83%	0.83	72%	0.716	S	S	*	*			trans	-126.3	98.8	157.1	-150.9	172.9	-175.1	-179.7	0	107.2	H182 S186	H182-K184 PolarHBondContact O-N 3.4Å; K184-S186 PolarHBondContact O-N 2.92Å
185	D	40.2	Very low	42.9	Very low	154 Å²	154	121 Å²	121	82%	0.824	69%	0.69	S	S	*	*			trans	0.1	113.5	149.3	-163.4	21.9	0	0	0	114.7
186	S	31.1	Very low	45.3	Very low	104 Å²	104	115.1 Å²	115.1	73%	0.727	65%	0.652	S	S	*	*			trans	-163.8	104.2	159.4	-134.4	0	0	0	0	112.3	K184	K184-S186 PolarHBondContact O-N 2.92Å
187	G	32.3	Very low	48.1	Very low	57 Å²	57	107.6 Å²	107.6	59%	0.588	61%	0.612	S	S	*	*				46.6	121.3	126.8	0	0	0	0	0	119.6	K189	G187-K189 PolarHBondContact O-N 3.47Å
188	S	39.8	Very low	50.9	Low	104 Å²	104	103.2 Å²	103.2	73%	0.727	58%	0.577	S	S	*	*			trans	-30.9	102.4	148.6	150.8	0	0	0	0	111.5	Q190	S188-Q190 PolarHBondContact O-N 3.35Å; S188-Q190 VanDerWaalsContact O-N 3.08Å
189	K	46.5	Very low	53.7	Low	182 Å²	182	102.5 Å²	102.5	79%	0.791	56%	0.558	S	S	*	*			trans	-69.1	104	168.4	-81.6	-178	174.2	-179.4	0	108	G187 T191	G187-K189 PolarHBondContact O-N 3.47Å; K189-T191 PolarHBondContact O-N 2.85Å
190	Q	55.4	Low	56.2	Low	118 Å²	118	93.8 Å²	93.8	55%	0.551	52%	0.517	S	S	*	.			trans	-57.9	116	170.5	-117.1	119.1	-8.6	0	0	109.6	S188 C192 F199	S188-Q190 PolarHBondContact O-N 3.35Å; S188-Q190 VanDerWaalsContact O-N 3.08Å; Q190-C192 PolarHBondContact O-N 3.47Å; Q190-F199 HydrophobicContact CB-CD2 4.03Å; Q190-F199 HydrophobicContact CB-CE2 3.59Å; Q190-F199 HydrophobicContact CB-CZ 4.05Å
191	T	65.9	Low	58.6	Low	143 Å²	143	93.2 Å²	93.2	88%	0.877	51%	0.51	S	S	*	.			trans	-89.1	104.8	-177.2	-6.3	0	0	0	0	110.3	K189	K189-T191 PolarHBondContact O-N 2.85Å
192	C	75.3	Confident	60.7	Low	16 Å²	16	92.1 Å²	92.1	11%	0.108	50%	0.499	C	S	.	.			trans	-76.3	161.1	166.4	-47.9	0	0	0	0	110.2	Q190 P194 F197 F199 C206	Q190-C192 PolarHBondContact O-N 3.47Å; C192-P194 WeakPolarHBondContact O-CD 3.16Å; C192-F197 HydrophobicContact CB-CB 3.98Å; C192-F199 VanDerWaalsContact SG-CB 3.54Å; C192-C206 HydrophobicContact CB-CB 3.84Å; C192-C206 WeakPolarHBondContact CB-SG 3.38Å; C192-C206 WeakPolarHBondContact SG-CA 3.39Å; C192-C206 WeakPolarHBondContact SG-CB 3.32Å; C192-C206 CovalentContact SG-SG 2.02Å; C192-C206 PolarHBondContact SG-SG 3.49Å
193	N	77.3	Confident	62.9	Low	46 Å²	46	84.4 Å²	84.4	25%	0.246	47%	0.466	C	S	.	.			trans	-58.9	108.3	169.6	179	-20.3	0	0	0	109.4	G195 K196 F197 E476	N193-G195 PolarHBondContact O-N 2.91Å; N193-G195 PolarHBondContact OD1-N 3.18Å; N193-K196 PolarHBondContact O-N 3.13Å; N193-F197 HydrophobicContact CB-CD2 4.32Å; N193-F197 PolarHBondContact O-N 2.99Å; N193-F197 VanDerWaalsContact O-O 3.07Å; N193-E476 PolarHBondContact ND2-O 3.42Å
194	P	73.3	Confident	65.1	Low	102 Å²	102	82 Å²	82	66%	0.662	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.6	-166.3	29.5	-35.2	0	0	0	113	C192 K209	C192-P194 WeakPolarHBondContact O-CD 3.16Å; P194-K209 VanDerWaalsContact O-CE 3.29Å; P194-K209 WeakPolarHBondContact O-CE 3.46Å; P194-K209 PolarHBondContact O-NZ 3.37Å
195	G	75.3	Confident	67.7	Low	28 Å²	28	74.8 Å²	74.8	29%	0.289	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-50.5	176.5	0	0	0	0	0	111.9	N193 K209	N193-G195 PolarHBondContact O-N 2.91Å; N193-G195 PolarHBondContact OD1-N 3.18Å; G195-K209 WeakPolarHBondContact O-CD 3.25Å; G195-K209 WeakPolarHBondContact O-CE 3.24Å; G195-K209 PolarHBondContact O-NZ 2.98Å
196	K	81.3	Confident	69.9	Low	1 Å²	1	70 Å²	70	0%	0.004	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-27.6	-171.5	-72.1	-175.9	170.2	-179	0	115.2	N193 K209 V214 V216 Q478 C480 C491	N193-K196 PolarHBondContact O-N 3.13Å; K196-K209 PolarHBondContact O-N 2.94Å; K196-V214 HydrophobicContact CB-CG1 4.43Å; K196-V214 HydrophobicContact CG-CG1 4.23Å; K196-V216 HydrophobicContact CB-CG1 4.46Å; K196-V216 HydrophobicContact CB-CG2 4.19Å; K196-V216 WeakPolarHBondContact O-CG2 3.37Å; K196-Q478 WeakPolarHBondContact CD-O 3.48Å; K196-Q478 WeakPolarHBondContact CE-O 3.46Å; K196-Q478 PolarHBondContact NZ-O 3.03Å; K196-C480 VanDerWaalsContact CG-SG 3.59Å; K196-C491 WeakPolarHBondContact CE-SG 3.39Å
197	F	87.1	Confident	72.6	Confident	6 Å²	6	65 Å²	65	3%	0.026	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	151.7	-175.1	-63.1	-94	0	0	0	110.2	C192 N193 C206 A207 P208 V216 A475 E476	C192-F197 HydrophobicContact CB-CB 3.98Å; N193-F197 HydrophobicContact CB-CD2 4.32Å; N193-F197 PolarHBondContact O-N 2.99Å; N193-F197 VanDerWaalsContact O-O 3.07Å; F197-C206 HydrophobicContact CB-CB 4.43Å; F197-A207 CarbonylContact C-O 3.55Å; F197-A207 VanDerWaalsContact CA-O 3.28Å; F197-A207 WeakPolarHBondContact CA-O 3.36Å; F197-P208 HydrophobicContact CD1-CB 4.16Å; F197-P208 HydrophobicContact CE1-CB 4Å; F197-V216 HydrophobicContact CE1-CG1 3.98Å; F197-V216 HydrophobicContact CE2-CG1 3.9Å; F197-V216 HydrophobicContact CZ-CG1 3.46Å; F197-V216 VanDerWaalsContact CZ-CG1 3.46Å; F197-A475 HydrophobicContact CZ-CB 4.16Å; F197-E476 HydrophobicContact CE2-CG 3.94Å; F197-E476 HydrophobicContact CZ-CG 4.12Å
198	H	86.4	Confident	75.3	Confident	36 Å²	36	62.4 Å²	62.4	17%	0.167	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.7	173.3	-177.2	62	0	0	0	108.4	V200 A207 K209 D292 V295	H198-V200 PolarHBondContact O-N 3.35Å; H198-A207 PolarHBondContact N-O 2.98Å; H198-A207 PolarHBondContact O-N 3.39Å; H198-K209 HydrophobicContact CB-CG 4.39Å; H198-D292 IonicContact CD2-OD2 2.72Å; H198-D292 IonicContact CE1-OD2 2.74Å; H198-D292 IonicContact NE2-OD2 2.75Å; H198-D292 PolarHBondContact NE2-OD2 3.11Å; H198-V295 HydrophobicContact CB-CG1 4.32Å
199	F	85.9	Confident	77.6	Confident	46 Å²	46	59.3 Å²	59.3	20%	0.202	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	116.1	173.1	-174.9	-102.2	0	0	0	108.6	Q190 C192	Q190-F199 HydrophobicContact CB-CD2 4.03Å; Q190-F199 HydrophobicContact CB-CE2 3.59Å; Q190-F199 HydrophobicContact CB-CZ 4.05Å; C192-F199 VanDerWaalsContact SG-CB 3.54Å
200	V	83.5	Confident	79.5	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	110.7	179.5	180	0	0	0	0	108.1	H198 K202 S203 Q204 S205 A207 Y297	H198-V200 PolarHBondContact O-N 3.35Å; V200-K202 HydrophobicContact CG1-CB 4.16Å; V200-K202 PolarHBondContact O-N 3.48Å; V200-S203 WeakPolarHBondContact CB-OG 3.37Å; V200-S203 PolarHBondContact O-N 3.27Å; V200-Q204 PolarHBondContact O-N 2.71Å; V200-S205 PolarHBondContact N-O 3.47Å; V200-A207 HydrophobicContact CG2-CB 3.79Å; V200-Y297 HydrophobicContact CB-CE2 4.49Å; V200-Y297 HydrophobicContact CG1-CE2 4.18Å; V200-Y297 HydrophobicContact CG2-CD1 4.13Å; V200-Y297 HydrophobicContact CG2-CD2 3.61Å; V200-Y297 HydrophobicContact CG2-CE1 4.08Å; V200-Y297 HydrophobicContact CG2-CE2 3.55Å; V200-Y297 HydrophobicContact CG2-CG 3.9Å
201	E	77.6	Confident	80.4	Confident	122 Å²	122	48.9 Å²	48.9	57%	0.57	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.2	-176	-168.6	165.9	-156.1	0	0	112.3	Q204	E201-Q204 PolarHBondContact O-NE2 3.03Å
202	K	73.6	Confident	80.4	Confident	124 Å²	124	45.7 Å²	45.7	54%	0.539	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-41	177.7	-60.7	178.4	-174.3	169.3	0	113.3	V200	V200-K202 HydrophobicContact CG1-CB 4.16Å; V200-K202 PolarHBondContact O-N 3.48Å
203	S	72.5	Confident	80.1	Confident	23 Å²	23	50.4 Å²	50.4	16%	0.161	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	0.8	-177.4	60.8	0	0	0	0	113.2	V200 S205	V200-S203 WeakPolarHBondContact CB-OG 3.37Å; V200-S203 PolarHBondContact O-N 3.27Å; S203-S205 WeakPolarHBondContact CB-OG 3.28Å; S203-S205 PolarHBondContact O-N 3.11Å; S203-S205 PolarHBondContact O-OG 3.07Å; S203-S205 VanDerWaalsContact O-OG 3.05Å; S203-S205 PolarHBondContact OG-OG 2.75Å
204	Q	79.2	Confident	80.2	Confident	117 Å²	117	48.5 Å²	48.5	55%	0.547	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	38.2	-177.4	-64.8	-70.9	-51.4	0	0	112.6	V200 E201	V200-Q204 PolarHBondContact O-N 2.71Å; E201-Q204 PolarHBondContact O-NE2 3.03Å
205	S	82.2	Confident	80.8	Confident	41 Å²	41	43.9 Å²	43.9	29%	0.287	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	152	-172.9	50.9	0	0	0	0	112.5	V200 S203 A207	V200-S205 PolarHBondContact N-O 3.47Å; S203-S205 WeakPolarHBondContact CB-OG 3.28Å; S203-S205 PolarHBondContact O-N 3.11Å; S203-S205 PolarHBondContact O-OG 3.07Å; S203-S205 VanDerWaalsContact O-OG 3.05Å; S203-S205 PolarHBondContact OG-OG 2.75Å; S205-A207 PolarHBondContact O-N 2.81Å
206	C	85.4	Confident	81.4	Confident	52 Å²	52	42.6 Å²	42.6	35%	0.351	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	117.8	173.8	-59.9	0	0	0	0	109.8	C192 F197	C192-C206 HydrophobicContact CB-CB 3.84Å; C192-C206 WeakPolarHBondContact CB-SG 3.38Å; C192-C206 WeakPolarHBondContact SG-CA 3.39Å; C192-C206 WeakPolarHBondContact SG-CB 3.32Å; C192-C206 CovalentContact SG-SG 2.02Å; C192-C206 PolarHBondContact SG-SG 3.49Å; F197-C206 HydrophobicContact CB-CB 4.43Å
207	A	87.8	Confident	81.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.4	174.9	0	0	0	0	0	110.3	F197 H198 V200 S205 Y297 Q300	F197-A207 CarbonylContact C-O 3.55Å; F197-A207 VanDerWaalsContact CA-O 3.28Å; F197-A207 WeakPolarHBondContact CA-O 3.36Å; H198-A207 PolarHBondContact N-O 2.98Å; H198-A207 PolarHBondContact O-N 3.39Å; V200-A207 HydrophobicContact CG2-CB 3.79Å; S205-A207 PolarHBondContact O-N 2.81Å; A207-Y297 HydrophobicContact CB-CD2 3.65Å; A207-Y297 HydrophobicContact CB-CG 4.19Å; A207-Q300 HydrophobicContact CB-CG 3.67Å
208	P	89.3	Confident	82	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.019	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139	172.1	25.7	-30.6	0	0	0	109.9	F197 V216 Y217 Y297 I298	F197-P208 HydrophobicContact CD1-CB 4.16Å; F197-P208 HydrophobicContact CE1-CB 4Å; P208-V216 HydrophobicContact CB-CB 4.09Å; P208-V216 HydrophobicContact CB-CG1 3.95Å; P208-V216 HydrophobicContact CB-CG2 3.85Å; P208-Y217 HydrophobicContact CB-CE2 4.28Å; P208-Y217 HydrophobicContact CG-CE2 4.36Å; P208-Y297 WeakPolarHBondContact O-CA 3.42Å; P208-I298 HydrophobicContact CB-CD1 4.34Å; P208-I298 HydrophobicContact CG-CB 4.03Å; P208-I298 HydrophobicContact CG-CD1 3.95Å; P208-I298 HydrophobicContact CG-CG1 4.21Å; P208-I298 PolarHBondContact O-N 3.44Å
209	K	88.3	Confident	82.2	Confident	38 Å²	38	42.4 Å²	42.4	17%	0.165	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-64.6	147.6	174.2	-71.4	-178.5	-175.8	173.1	0	110.2	P194 G195 K196 H198 V214 V295 Q296	P194-K209 VanDerWaalsContact O-CE 3.29Å; P194-K209 WeakPolarHBondContact O-CE 3.46Å; P194-K209 PolarHBondContact O-NZ 3.37Å; G195-K209 WeakPolarHBondContact O-CD 3.25Å; G195-K209 WeakPolarHBondContact O-CE 3.24Å; G195-K209 PolarHBondContact O-NZ 2.98Å; K196-K209 PolarHBondContact O-N 2.94Å; H198-K209 HydrophobicContact CB-CG 4.39Å; K209-V214 HydrophobicContact CB-CB 4.05Å; K209-V214 HydrophobicContact CB-CG1 4.1Å; K209-V214 HydrophobicContact CB-CG2 4.3Å; K209-V214 HydrophobicContact CD-CG2 3.99Å; K209-V295 HydrophobicContact CD-CG1 4.23Å; K209-V295 HydrophobicContact CG-CG1 4.15Å; K209-Q296 WeakPolarHBondContact CA-O 3.45Å
210	C	87.4	Confident	82.3	Confident	10 Å²	10	42.7 Å²	42.7	7%	0.068	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-83.9	149.5	180	-175.1	0	0	0	0	111.6	C289 Q296 I298	C210-C289 HydrophobicContact CB-CB 3.61Å; C210-C289 WeakPolarHBondContact CB-SG 3.34Å; C210-C289 WeakPolarHBondContact SG-CB 3.25Å; C210-C289 CovalentContact SG-SG 2.01Å; C210-C289 PolarHBondContact SG-SG 3.21Å; C210-Q296 HydrophobicContact CB-CB 3.87Å; C210-Q296 PolarHBondContact N-O 2.81Å; C210-I298 HydrophobicContact CB-CG1 4.38Å
211	Y	73.2	Confident	82.5	Confident	72 Å²	72	45 Å²	45	28%	0.282	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	142.7	165	174.2	-94.5	0	0	0	111	Q220 K223	Y211-Q220 VanDerWaalsContact CZ-NE2 3.28Å; Y211-Q220 PolarHBondContact OH-NE2 3.44Å; Y211-K223 HydrophobicContact CD2-CD 4.18Å
212	P	67.4	Low	83.2	Confident	75 Å²	75	41.2 Å²	41.2	49%	0.487	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	cis	-98.3	-15.2	25	11.3	5.9	0	0	0	120.1
213	K	68.6	Low	84	Confident	115 Å²	115	35.8 Å²	35.8	50%	0.5	20%	0.198	S	C	.	.	S	Bend	trans	-91.4	-15.7	-164.3	-61.8	-175.3	176.5	-172.1	0	113.7	E490 C491	K213-E490 CarbonylContact O-C 3.38Å; K213-E490 VanDerWaalsContact O-CA 3.27Å; K213-E490 WeakPolarHBondContact O-CA 3.21Å; K213-C491 PolarHBondContact O-N 2.94Å
214	V	79.5	Confident	84.9	Confident	7 Å²	7	39 Å²	39	4%	0.042	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-135.1	122.8	-171.4	-178.5	0	0	0	0	110.9	K196 K209 V216 C491	K196-V214 HydrophobicContact CB-CG1 4.43Å; K196-V214 HydrophobicContact CG-CG1 4.23Å; K209-V214 HydrophobicContact CB-CB 4.05Å; K209-V214 HydrophobicContact CB-CG1 4.1Å; K209-V214 HydrophobicContact CB-CG2 4.3Å; K209-V214 HydrophobicContact CD-CG2 3.99Å; V214-V216 HydrophobicContact CG1-CG2 3.97Å; V214-C491 HydrophobicContact CB-CB 4.3Å; V214-C491 HydrophobicContact CG1-CB 3.92Å; V214-C491 HydrophobicContact CG2-CB 4.26Å
215	D	85.4	Confident	85.6	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.027	21%	0.206	C	C	.	.			trans	-94.9	120.1	169.2	-70.9	-22.8	0	0	0	109.5	W218 Q220 K223 C491 M493	D215-W218 WeakPolarHBondContact CB-O 3.21Å; D215-Q220 PolarHBondContact OD2-N 3.02Å; D215-K223 IonicContact OD1-NZ 3.48Å; D215-K223 PolarHBondContact OD1-NZ 3.35Å; D215-C491 WeakPolarHBondContact CB-O 3.11Å; D215-C491 PolarHBondContact N-O 2.91Å; D215-M493 HydrophobicContact CB-CB 3.93Å; D215-M493 HydrophobicContact CB-CG 3.73Å; D215-M493 HydrophobicContact CB-SD 4.22Å; D215-M493 PolarHBondContact OD2-N 3.17Å
216	V	87.8	Confident	86.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-105.1	-60.7	-178.6	-173.7	0	0	0	0	111.5	K196 F197 P208 V214 E378 A475	K196-V216 HydrophobicContact CB-CG1 4.46Å; K196-V216 HydrophobicContact CB-CG2 4.19Å; K196-V216 WeakPolarHBondContact O-CG2 3.37Å; F197-V216 HydrophobicContact CE1-CG1 3.98Å; F197-V216 HydrophobicContact CE2-CG1 3.9Å; F197-V216 HydrophobicContact CZ-CG1 3.46Å; F197-V216 VanDerWaalsContact CZ-CG1 3.46Å; P208-V216 HydrophobicContact CB-CB 4.09Å; P208-V216 HydrophobicContact CB-CG1 3.95Å; P208-V216 HydrophobicContact CB-CG2 3.85Å; V214-V216 HydrophobicContact CG1-CG2 3.97Å; V216-E378 PolarHBondContact N-OE1 2.91Å; V216-A475 HydrophobicContact CG1-CB 4.21Å
217	Y	89.9	Confident	86.5	Confident	18 Å²	18	36.9 Å²	36.9	7%	0.071	19%	0.191	C	C	.	.	S	Bend	trans	-105.8	-26.9	178.3	-62.4	-74.6	0	0	0	112.8	P208 E378 M388 A475 I497 P498	P208-Y217 HydrophobicContact CB-CE2 4.28Å; P208-Y217 HydrophobicContact CG-CE2 4.36Å; Y217-E378 WeakPolarHBondContact CB-OE2 3.46Å; Y217-E378 VanDerWaalsContact CD2-OE2 3.29Å; Y217-E378 WeakPolarHBondContact CD2-OE2 3.24Å; Y217-E378 PolarHBondContact N-OE2 3.04Å; Y217-M388 HydrophobicContact CE2-CE 3.65Å; Y217-M388 HydrophobicContact CE2-SD 4.26Å; Y217-M388 WeakPolarHBondContact OH-CE 3.22Å; Y217-A475 HydrophobicContact CD1-CB 3.77Å; Y217-A475 HydrophobicContact CE1-CB 3.32Å; Y217-I497 PolarHBondContact O-N 3.09Å; Y217-P498 VanDerWaalsContact O-CD 3.32Å; Y217-P498 WeakPolarHBondContact O-CD 3.39Å
218	W	91.4	Very high	86.8	Confident	10 Å²	10	40.6 Å²	40.6	4%	0.038	21%	0.213	C	C	.	.	S	Bend	trans	-126.9	140.4	-168	-52.8	98.2	0	0	0	111.9	D215 K223 L379 S496 P498 V500 F503	D215-W218 WeakPolarHBondContact CB-O 3.21Å; W218-K223 HydrophobicContact CB-CG 4.13Å; W218-K223 VanDerWaalsContact O-CE 3.23Å; W218-K223 WeakPolarHBondContact O-CE 3.34Å; W218-K223 PolarHBondContact O-NZ 3.06Å; W218-L379 HydrophobicContact CB-CD1 4.35Å; W218-L379 HydrophobicContact CD2-CB 3.9Å; W218-L379 HydrophobicContact CD2-CD1 3.94Å; W218-L379 HydrophobicContact CD2-CD2 4.12Å; W218-L379 HydrophobicContact CD2-CG 4.21Å; W218-L379 HydrophobicContact CE3-CD1 4.05Å; W218-L379 HydrophobicContact CE3-CD2 4.09Å; W218-L379 HydrophobicContact CE3-CG 4.5Å; W218-L379 HydrophobicContact CG-CB 3.97Å; W218-L379 HydrophobicContact CG-CD1 4.08Å; W218-L379 HydrophobicContact CH2-CD2 3.75Å; W218-L379 HydrophobicContact CZ2-CB 4.15Å; W218-L379 HydrophobicContact CZ2-CD2 3.83Å; W218-L379 HydrophobicContact CZ3-CD2 3.94Å; W218-S496 WeakPolarHBondContact CA-OG 3.36Å; W218-P498 HydrophobicContact CE3-CG 4.46Å; W218-P498 HydrophobicContact CH2-CB 3.41Å; W218-P498 VanDerWaalsContact CH2-CB 3.41Å; W218-P498 HydrophobicContact CH2-CG 3.53Å; W218-P498 HydrophobicContact CZ2-CB 4.02Å; W218-P498 HydrophobicContact CZ2-CG 3.65Å; W218-P498 HydrophobicContact CZ3-CB 3.8Å; W218-P498 HydrophobicContact CZ3-CG 3.93Å; W218-P498 WeakPolarHBondContact CZ3-O 3.02Å; W218-V500 HydrophobicContact CE3-CG2 3.51Å; W218-V500 HydrophobicContact CZ3-CB 4.26Å; W218-V500 HydrophobicContact CZ3-CG2 3.39Å; W218-F503 HydrophobicContact CH2-CD1 4.17Å; W218-F503 AromaticContact CH2-CD2 3.51Å; W218-F503 HydrophobicContact CH2-CD2 3.51Å; W218-F503 HydrophobicContact CH2-CE1 4.13Å; W218-F503 AromaticContact CH2-CE2 3.48Å; W218-F503 HydrophobicContact CH2-CE2 3.48Å; W218-F503 VanDerWaalsContact CH2-CE2 3.48Å; W218-F503 AromaticContact CH2-CG 3.87Å; W218-F503 HydrophobicContact CH2-CG 3.87Å; W218-F503 AromaticContact CH2-CZ 3.78Å; W218-F503 HydrophobicContact CH2-CZ 3.78Å; W218-F503 HydrophobicContact CZ2-CD1 4.17Å; W218-F503 HydrophobicContact CZ2-CD2 4.25Å; W218-F503 AromaticContact CZ2-CE1 3.9Å; W218-F503 HydrophobicContact CZ2-CE1 3.9Å; W218-F503 AromaticContact CZ2-CE2 3.99Å; W218-F503 HydrophobicContact CZ2-CE2 3.99Å; W218-F503 HydrophobicContact CZ2-CG 4.34Å; W218-F503 AromaticContact CZ2-CZ 3.78Å; W218-F503 HydrophobicContact CZ2-CZ 3.78Å; W218-F503 HydrophobicContact CZ3-CD2 4.43Å
219	S	89.9	Confident	87.1	Confident	11 Å²	11	44 Å²	44	8%	0.077	23%	0.226	C	C	.	.			trans	-71.2	154.1	173.3	83.3	0	0	0	0	111.5	G221 D222 K223 M493 S496	S219-G221 VanDerWaalsContact C-N 3.28Å; S219-G221 PolarHBondContact O-N 3.38Å; S219-D222 PolarHBondContact O-N 2.94Å; S219-D222 PolarHBondContact OG-N 3.47Å; S219-D222 PolarHBondContact OG-OD2 3.16Å; S219-K223 WeakPolarHBondContact O-CG 3.38Å; S219-K223 PolarHBondContact O-N 3.39Å; S219-K223 VanDerWaalsContact O-N 3.09Å; S219-M493 WeakPolarHBondContact CB-O 3.31Å; S219-S496 PolarHBondContact N-OG 3.41Å
220	Q	87.5	Confident	87.5	Confident	53 Å²	53	42.2 Å²	42.2	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-36.7	176.5	-178.2	56.8	6.4	0	0	114.1	Y211 D215 D222 K223 Q224	Y211-Q220 VanDerWaalsContact CZ-NE2 3.28Å; Y211-Q220 PolarHBondContact OH-NE2 3.44Å; D215-Q220 PolarHBondContact OD2-N 3.02Å; Q220-D222 VanDerWaalsContact C-N 3.32Å; Q220-D222 PolarHBondContact O-N 3.11Å; Q220-K223 PolarHBondContact O-N 3.29Å; Q220-Q224 WeakPolarHBondContact O-CG 3.24Å; Q220-Q224 PolarHBondContact O-N 2.91Å; Q220-Q224 VanDerWaalsContact O-N 3.17Å
221	G	89.2	Confident	87.9	Confident	50 Å²	50	42.5 Å²	42.5	52%	0.515	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-42.1	176.8	0	0	0	0	0	112	S219 Q224 F225	S219-G221 VanDerWaalsContact C-N 3.28Å; S219-G221 PolarHBondContact O-N 3.38Å; G221-Q224 PolarHBondContact O-N 2.89Å; G221-F225 PolarHBondContact O-N 3.45Å
222	D	92.1	Very high	89	Confident	42 Å²	42	43.2 Å²	43.2	23%	0.225	23%	0.229	C	C	.	.	H	α-helix	trans	-71.9	-34.6	-178.9	-63.4	-40.6	0	0	0	112.5	S219 Q220 Q224 F225 S226 S496 V500	S219-D222 PolarHBondContact O-N 2.94Å; S219-D222 PolarHBondContact OG-N 3.47Å; S219-D222 PolarHBondContact OG-OD2 3.16Å; Q220-D222 VanDerWaalsContact C-N 3.32Å; Q220-D222 PolarHBondContact O-N 3.11Å; D222-Q224 VanDerWaalsContact C-N 3.34Å; D222-F225 PolarHBondContact O-N 3.26Å; D222-S226 WeakPolarHBondContact O-CB 3.47Å; D222-S226 PolarHBondContact O-N 3.4Å; D222-S496 WeakPolarHBondContact OD2-CB 3.41Å; D222-S496 PolarHBondContact OD2-OG 3.01Å; D222-V500 HydrophobicContact CB-CG1 4.28Å; D222-V500 HydrophobicContact CB-CG2 3.63Å
223	K	90.8	Very high	90.5	Very high	10 Å²	10	42.3 Å²	42.3	4%	0.043	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-40.5	171.9	-68.8	171	-175.5	172.2	0	112	Y211 D215 W218 S219 Q220 S226 L227 E378	Y211-K223 HydrophobicContact CD2-CD 4.18Å; D215-K223 IonicContact OD1-NZ 3.48Å; D215-K223 PolarHBondContact OD1-NZ 3.35Å; W218-K223 HydrophobicContact CB-CG 4.13Å; W218-K223 VanDerWaalsContact O-CE 3.23Å; W218-K223 WeakPolarHBondContact O-CE 3.34Å; W218-K223 PolarHBondContact O-NZ 3.06Å; S219-K223 WeakPolarHBondContact O-CG 3.38Å; S219-K223 PolarHBondContact O-N 3.39Å; S219-K223 VanDerWaalsContact O-N 3.09Å; Q220-K223 PolarHBondContact O-N 3.29Å; K223-S226 PolarHBondContact O-OG 3.3Å; K223-L227 PolarHBondContact O-N 2.86Å; K223-E378 WeakPolarHBondContact CE-OE1 3.44Å; K223-E378 IonicContact NZ-OE1 2.98Å; K223-E378 PolarHBondContact NZ-OE1 3.31Å
224	Q	90.8	Very high	91.8	Very high	89 Å²	89	36.8 Å²	36.8	42%	0.416	19%	0.192	S	C	.	.	H	α-helix	trans	-69.6	-41.7	176.1	-67.5	-58.5	-39	0	0	111.7	Q220 G221 D222 S226 L227 V228	Q220-Q224 WeakPolarHBondContact O-CG 3.24Å; Q220-Q224 PolarHBondContact O-N 2.91Å; Q220-Q224 VanDerWaalsContact O-N 3.17Å; G221-Q224 PolarHBondContact O-N 2.89Å; D222-Q224 VanDerWaalsContact C-N 3.34Å; Q224-S226 PolarHBondContact O-N 3.37Å; Q224-L227 WeakPolarHBondContact O-CB 3.41Å; Q224-L227 PolarHBondContact O-N 2.86Å; Q224-V228 PolarHBondContact O-N 2.82Å
225	F	93.6	Very high	92.7	Very high	104 Å²	104	40.6 Å²	40.6	46%	0.456	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-45.1	175.3	179.6	-114.5	0	0	0	111.8	G221 D222 L227 V228 W229 V500 M504	G221-F225 PolarHBondContact O-N 3.45Å; D222-F225 PolarHBondContact O-N 3.26Å; F225-L227 VanDerWaalsContact C-N 3.28Å; F225-L227 PolarHBondContact O-N 3.22Å; F225-V228 PolarHBondContact O-N 3.47Å; F225-W229 HydrophobicContact CE2-CE3 4.4Å; F225-W229 AromaticContact CZ-CE3 3.93Å; F225-W229 HydrophobicContact CZ-CE3 3.93Å; F225-W229 HydrophobicContact CZ-CZ3 4.4Å; F225-W229 WeakPolarHBondContact O-CB 3.33Å; F225-W229 PolarHBondContact O-N 2.92Å; F225-V500 HydrophobicContact CD1-CG1 4.48Å; F225-M504 HydrophobicContact CD1-CG 4.22Å; F225-M504 HydrophobicContact CD1-SD 4.39Å; F225-M504 HydrophobicContact CE1-CG 3.82Å; F225-M504 HydrophobicContact CE1-SD 4.38Å
226	S	93.6	Very high	93.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-38.2	178.7	85	0	0	0	0	112.2	D222 K223 Q224 W229 I230 L379 M504	D222-S226 WeakPolarHBondContact O-CB 3.47Å; D222-S226 PolarHBondContact O-N 3.4Å; K223-S226 PolarHBondContact O-OG 3.3Å; Q224-S226 PolarHBondContact O-N 3.37Å; S226-W229 PolarHBondContact O-N 3.43Å; S226-I230 WeakPolarHBondContact O-CB 3.44Å; S226-I230 WeakPolarHBondContact O-CD1 3.33Å; S226-I230 VanDerWaalsContact O-CG1 3.27Å; S226-I230 WeakPolarHBondContact O-CG1 3Å; S226-I230 PolarHBondContact O-N 3.45Å; S226-L379 PolarHBondContact OG-O 2.93Å; S226-M504 VanDerWaalsContact CB-CE 3.46Å
227	L	92.4	Very high	93.7	Very high	63 Å²	63	44.5 Å²	44.5	33%	0.33	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-51.4	178.2	-176.9	156.2	0	0	0	110.9	K223 Q224 F225 W229 A231	K223-L227 PolarHBondContact O-N 2.86Å; Q224-L227 WeakPolarHBondContact O-CB 3.41Å; Q224-L227 PolarHBondContact O-N 2.86Å; F225-L227 VanDerWaalsContact C-N 3.28Å; F225-L227 PolarHBondContact O-N 3.22Å; L227-W229 VanDerWaalsContact C-N 3.34Å; L227-W229 PolarHBondContact O-N 3.11Å; L227-A231 VanDerWaalsContact O-CB 3.32Å; L227-A231 WeakPolarHBondContact O-CB 3.36Å; L227-A231 PolarHBondContact O-N 3.11Å
228	V	94.9	Very high	94	Very high	78 Å²	78	47 Å²	47	47%	0.473	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-42.9	179.3	178.1	0	0	0	0	110.6	Q224 F225 A231 I232	Q224-V228 PolarHBondContact O-N 2.82Å; F225-V228 PolarHBondContact O-N 3.47Å; V228-A231 PolarHBondContact O-N 3.49Å; V228-I232 HydrophobicContact CG1-CD1 3.86Å; V228-I232 WeakPolarHBondContact O-CG1 3.41Å; V228-I232 PolarHBondContact O-N 2.83Å; V228-I232 VanDerWaalsContact O-N 3.07Å
229	W	96.3	Very high	94.3	Very high	73 Å²	73	50.9 Å²	50.9	28%	0.277	27%	0.267	S	S	.	.	H	α-helix	trans	-60.2	-52.1	179	-171.1	-101.2	0	0	0	112.3	F225 S226 L227 A231 I232 W233 M504 F508	F225-W229 HydrophobicContact CE2-CE3 4.4Å; F225-W229 AromaticContact CZ-CE3 3.93Å; F225-W229 HydrophobicContact CZ-CE3 3.93Å; F225-W229 HydrophobicContact CZ-CZ3 4.4Å; F225-W229 WeakPolarHBondContact O-CB 3.33Å; F225-W229 PolarHBondContact O-N 2.92Å; S226-W229 PolarHBondContact O-N 3.43Å; L227-W229 VanDerWaalsContact C-N 3.34Å; L227-W229 PolarHBondContact O-N 3.11Å; W229-A231 VanDerWaalsContact C-N 3.3Å; W229-A231 PolarHBondContact O-N 2.91Å; W229-I232 PolarHBondContact O-N 3.38Å; W229-W233 AromaticContact CD1-CD1 3.85Å; W229-W233 AromaticContact CD2-CD1 3.77Å; W229-W233 AromaticContact CD2-NE1 3.6Å; W229-W233 AromaticContact CE2-CD1 3.53Å; W229-W233 AromaticContact CE2-NE1 3.23Å; W229-W233 AromaticContact CE3-NE1 3.93Å; W229-W233 AromaticContact CG-CD1 3.98Å; W229-W233 AromaticContact CH2-NE1 3.62Å; W229-W233 AromaticContact CZ2-NE1 3.25Å; W229-W233 VanDerWaalsContact CZ2-NE1 3.25Å; W229-W233 AromaticContact CZ3-NE1 3.94Å; W229-W233 AromaticContact NE1-CD1 3.58Å; W229-W233 AromaticContact NE1-NE1 3.75Å; W229-W233 PolarHBondContact O-N 3.03Å; W229-M504 HydrophobicContact CB-SD 4Å; W229-M504 VanDerWaalsContact CD1-SD 3.59Å; W229-M504 HydrophobicContact CG-SD 3.86Å; W229-M504 PolarHBondContact NE1-O 3.12Å; W229-F508 HydrophobicContact CZ2-CB 4.09Å
230	I	95.3	Very high	94.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-40.7	177.9	-71.8	162.5	0	0	0	110.6	S226 S234 Y276 T380 V507	S226-I230 WeakPolarHBondContact O-CB 3.44Å; S226-I230 WeakPolarHBondContact O-CD1 3.33Å; S226-I230 VanDerWaalsContact O-CG1 3.27Å; S226-I230 WeakPolarHBondContact O-CG1 3Å; S226-I230 PolarHBondContact O-N 3.45Å; I230-S234 WeakPolarHBondContact O-CB 3.19Å; I230-S234 PolarHBondContact O-N 2.71Å; I230-S234 PolarHBondContact O-OG 3.14Å; I230-Y276 HydrophobicContact CG2-CD1 3.67Å; I230-Y276 HydrophobicContact CG2-CG 4.01Å; I230-T380 HydrophobicContact CD1-CG2 3.87Å; I230-V507 HydrophobicContact CG1-CG1 3.8Å; I230-V507 HydrophobicContact CG1-CG2 4.39Å
231	A	95.8	Very high	94.9	Very high	17 Å²	17	48.3 Å²	48.3	14%	0.14	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-50.5	179.8	0	0	0	0	0	112.2	L227 V228 W229 W233 S234 I235 L280	L227-A231 VanDerWaalsContact O-CB 3.32Å; L227-A231 WeakPolarHBondContact O-CB 3.36Å; L227-A231 PolarHBondContact O-N 3.11Å; V228-A231 PolarHBondContact O-N 3.49Å; W229-A231 VanDerWaalsContact C-N 3.3Å; W229-A231 PolarHBondContact O-N 2.91Å; A231-W233 PolarHBondContact O-N 2.81Å; A231-S234 PolarHBondContact O-OG 3.48Å; A231-I235 WeakPolarHBondContact O-CB 3.32Å; A231-I235 WeakPolarHBondContact O-CD1 3.41Å; A231-I235 WeakPolarHBondContact O-CG1 3.21Å; A231-I235 PolarHBondContact O-N 3.36Å; A231-I235 VanDerWaalsContact O-N 3.09Å; A231-L280 HydrophobicContact CB-CD1 3.77Å; A231-L280 HydrophobicContact CB-CD2 3.86Å; A231-L280 HydrophobicContact CB-CG 4.47Å
232	I	97.2	Very high	95.2	Very high	87 Å²	87	46.9 Å²	46.9	45%	0.446	24%	0.239	S	C	.	.	H	α-helix	trans	-59.9	-52.4	-178.9	-67.5	167.3	0	0	0	110.5	V228 W229 I235 L236	V228-I232 HydrophobicContact CG1-CD1 3.86Å; V228-I232 WeakPolarHBondContact O-CG1 3.41Å; V228-I232 PolarHBondContact O-N 2.83Å; V228-I232 VanDerWaalsContact O-N 3.07Å; W229-I232 PolarHBondContact O-N 3.38Å; I232-I235 PolarHBondContact O-N 3.37Å; I232-L236 HydrophobicContact CG2-CD1 4.01Å; I232-L236 WeakPolarHBondContact O-CG 3.39Å; I232-L236 PolarHBondContact O-N 3.49Å; I232-L236 VanDerWaalsContact O-N 3.07Å
233	W	97.8	Very high	95.2	Very high	55 Å²	55	47.9 Å²	47.9	21%	0.208	24%	0.241	C	C	.	.	H	α-helix	trans	-71	-34.9	-174.2	-70.1	115	0	0	0	113.1	W229 A231 L236 C237 F508 L511 I515	W229-W233 AromaticContact CD1-CD1 3.85Å; W229-W233 AromaticContact CD2-CD1 3.77Å; W229-W233 AromaticContact CD2-NE1 3.6Å; W229-W233 AromaticContact CE2-CD1 3.53Å; W229-W233 AromaticContact CE2-NE1 3.23Å; W229-W233 AromaticContact CE3-NE1 3.93Å; W229-W233 AromaticContact CG-CD1 3.98Å; W229-W233 AromaticContact CH2-NE1 3.62Å; W229-W233 AromaticContact CZ2-NE1 3.25Å; W229-W233 VanDerWaalsContact CZ2-NE1 3.25Å; W229-W233 AromaticContact CZ3-NE1 3.94Å; W229-W233 AromaticContact NE1-CD1 3.58Å; W229-W233 AromaticContact NE1-NE1 3.75Å; W229-W233 PolarHBondContact O-N 3.03Å; A231-W233 PolarHBondContact O-N 2.81Å; W233-L236 HydrophobicContact CE3-CD1 4.11Å; W233-L236 HydrophobicContact CZ3-CD1 4.15Å; W233-C237 WeakPolarHBondContact O-CB 2.93Å; W233-C237 PolarHBondContact O-N 2.98Å; W233-F508 AromaticContact CD2-CD2 3.75Å; W233-F508 HydrophobicContact CD2-CD2 3.75Å; W233-F508 HydrophobicContact CD2-CE2 4.3Å; W233-F508 AromaticContact CE2-CD2 3.51Å; W233-F508 AromaticContact CE3-CD2 3.94Å; W233-F508 HydrophobicContact CE3-CD2 3.94Å; W233-F508 HydrophobicContact CE3-CE2 4.08Å; W233-F508 HydrophobicContact CG-CD2 4.46Å; W233-F508 AromaticContact CH2-CD2 3.75Å; W233-F508 HydrophobicContact CH2-CD2 3.75Å; W233-F508 AromaticContact CH2-CE2 3.35Å; W233-F508 HydrophobicContact CH2-CE2 3.35Å; W233-F508 HydrophobicContact CH2-CZ 4.47Å; W233-F508 AromaticContact CZ2-CD2 3.52Å; W233-F508 HydrophobicContact CZ2-CD2 3.52Å; W233-F508 AromaticContact CZ2-CE2 3.57Å; W233-F508 HydrophobicContact CZ2-CE2 3.57Å; W233-F508 AromaticContact CZ3-CD2 3.95Å; W233-F508 HydrophobicContact CZ3-CD2 3.95Å; W233-F508 AromaticContact CZ3-CE2 3.62Å; W233-F508 HydrophobicContact CZ3-CE2 3.62Å; W233-L511 HydrophobicContact CB-CB 4.24Å; W233-L511 HydrophobicContact CB-CD1 3.61Å; W233-I515 HydrophobicContact CE3-CD1 3.69Å; W233-I515 HydrophobicContact CZ3-CD1 3.84Å
234	S	97.2	Very high	95.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.4	-39	177.5	59.8	0	0	0	0	111.8	I230 A231 C237 F238 L277	I230-S234 WeakPolarHBondContact O-CB 3.19Å; I230-S234 PolarHBondContact O-N 2.71Å; I230-S234 PolarHBondContact O-OG 3.14Å; A231-S234 PolarHBondContact O-OG 3.48Å; S234-C237 PolarHBondContact O-N 3.1Å; S234-F238 VanDerWaalsContact O-CB 3.25Å; S234-F238 WeakPolarHBondContact O-CB 3.39Å; S234-F238 PolarHBondContact O-N 3.31Å; S234-L277 WeakPolarHBondContact OG-CD2 3.31Å
235	I	97.5	Very high	95.4	Very high	86 Å²	86	44.2 Å²	44.2	44%	0.441	23%	0.226	S	C	.	.	H	α-helix	trans	-63.8	-48.3	174.4	-67.9	168.6	0	0	0	110.7	A231 I232 C237 F238 V239 L277	A231-I235 WeakPolarHBondContact O-CB 3.32Å; A231-I235 WeakPolarHBondContact O-CD1 3.41Å; A231-I235 WeakPolarHBondContact O-CG1 3.21Å; A231-I235 PolarHBondContact O-N 3.36Å; A231-I235 VanDerWaalsContact O-N 3.09Å; I232-I235 PolarHBondContact O-N 3.37Å; I235-C237 VanDerWaalsContact C-N 3.34Å; I235-C237 PolarHBondContact O-N 3.48Å; I235-F238 PolarHBondContact O-N 3.37Å; I235-V239 HydrophobicContact CG2-CG2 4.36Å; I235-V239 WeakPolarHBondContact O-CG2 3.33Å; I235-V239 PolarHBondContact O-N 2.98Å; I235-L277 HydrophobicContact CG1-CD2 3.68Å
236	L	96.8	Very high	95.2	Very high	87 Å²	87	43.4 Å²	43.4	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-44	178.4	-70.9	175.3	0	0	0	111.8	I232 W233 S240 I515	I232-L236 HydrophobicContact CG2-CD1 4.01Å; I232-L236 WeakPolarHBondContact O-CG 3.39Å; I232-L236 PolarHBondContact O-N 3.49Å; I232-L236 VanDerWaalsContact O-N 3.07Å; W233-L236 HydrophobicContact CE3-CD1 4.11Å; W233-L236 HydrophobicContact CZ3-CD1 4.15Å; L236-S240 VanDerWaalsContact O-CB 3.24Å; L236-S240 WeakPolarHBondContact O-CB 3.37Å; L236-S240 PolarHBondContact O-N 3.15Å; L236-I515 HydrophobicContact CB-CD1 3.81Å; L236-I515 HydrophobicContact CB-CG1 4.41Å
237	C	97.4	Very high	95.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-45.9	176	-179.2	0	0	0	0	111.8	W233 S234 I235 S241 L511 I515	W233-C237 WeakPolarHBondContact O-CB 2.93Å; W233-C237 PolarHBondContact O-N 2.98Å; S234-C237 PolarHBondContact O-N 3.1Å; I235-C237 VanDerWaalsContact C-N 3.34Å; I235-C237 PolarHBondContact O-N 3.48Å; C237-S241 WeakPolarHBondContact O-CB 3.15Å; C237-S241 PolarHBondContact O-N 3.46Å; C237-S241 PolarHBondContact O-OG 2.86Å; C237-L511 HydrophobicContact CB-CB 4.21Å; C237-L511 HydrophobicContact CB-CD2 4.08Å; C237-L511 PolarHBondContact SG-O 2.84Å; C237-L511 VanDerWaalsContact SG-O 3.42Å; C237-I515 HydrophobicContact CB-CG1 4.17Å
238	F	97.4	Very high	94.9	Very high	72 Å²	72	41.6 Å²	41.6	32%	0.316	22%	0.215	S	C	.	.	H	α-helix	trans	-61.5	-51.7	178.7	180	-101.7	0	0	0	111.6	S234 I235 S240 S241 A242 S273 V274 L277	S234-F238 VanDerWaalsContact O-CB 3.25Å; S234-F238 WeakPolarHBondContact O-CB 3.39Å; S234-F238 PolarHBondContact O-N 3.31Å; I235-F238 PolarHBondContact O-N 3.37Å; F238-S240 PolarHBondContact O-N 3.22Å; F238-S241 PolarHBondContact O-N 3.48Å; F238-A242 WeakPolarHBondContact O-CB 3.32Å; F238-A242 PolarHBondContact O-N 2.84Å; F238-S273 WeakPolarHBondContact CA-OG 3.24Å; F238-S273 WeakPolarHBondContact CB-OG 3.43Å; F238-V274 HydrophobicContact CD2-CG2 3.76Å; F238-V274 HydrophobicContact CE2-CG2 3.54Å; F238-L277 HydrophobicContact CB-CD1 3.97Å; F238-L277 HydrophobicContact CD1-CD1 4.39Å; F238-L277 HydrophobicContact CD2-CD1 4.23Å; F238-L277 HydrophobicContact CG-CD1 3.93Å
239	V	95.9	Very high	94.6	Very high	90 Å²	90	43.3 Å²	43.3	55%	0.545	22%	0.221	S	C	.	.	H	α-helix	trans	-61.3	-45.8	-178.8	172.1	0	0	0	0	111.1	I235 F243	I235-V239 HydrophobicContact CG2-CG2 4.36Å; I235-V239 WeakPolarHBondContact O-CG2 3.33Å; I235-V239 PolarHBondContact O-N 2.98Å; V239-F243 WeakPolarHBondContact O-CB 3.4Å; V239-F243 PolarHBondContact O-N 3.42Å
240	S	95.4	Very high	94.3	Very high	10 Å²	10	42.9 Å²	42.9	7%	0.07	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-47.3	179.7	-167.3	0	0	0	0	111.8	L236 F238 F243 T244 I515 G518	L236-S240 VanDerWaalsContact O-CB 3.24Å; L236-S240 WeakPolarHBondContact O-CB 3.37Å; L236-S240 PolarHBondContact O-N 3.15Å; F238-S240 PolarHBondContact O-N 3.22Å; S240-F243 PolarHBondContact O-N 3.2Å; S240-T244 PolarHBondContact O-N 2.71Å; S240-I515 PolarHBondContact OG-O 3.43Å; S240-G518 WeakPolarHBondContact OG-CA 3.47Å
241	S	95.7	Very high	93.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.2	-41.1	-179.2	-57.2	0	0	0	0	112.1	C237 F238 F243 T244 V245 S266 G514	C237-S241 WeakPolarHBondContact O-CB 3.15Å; C237-S241 PolarHBondContact O-N 3.46Å; C237-S241 PolarHBondContact O-OG 2.86Å; F238-S241 PolarHBondContact O-N 3.48Å; S241-F243 VanDerWaalsContact C-N 3.35Å; S241-F243 PolarHBondContact O-N 3.26Å; S241-T244 WeakPolarHBondContact O-CB 3.4Å; S241-T244 PolarHBondContact O-N 3.49Å; S241-V245 WeakPolarHBondContact O-CG2 3.18Å; S241-V245 PolarHBondContact O-N 3.47Å; S241-S266 WeakPolarHBondContact CB-O 3.11Å; S241-G514 PolarHBondContact OG-O 2.89Å
242	A	95	Very high	93.3	Very high	20 Å²	20	47.8 Å²	47.8	17%	0.165	25%	0.251	C	S	.	.	H	α-helix	trans	-63	-41.1	176.4	0	0	0	0	0	111.3	F238 T244 V245 L246	F238-A242 WeakPolarHBondContact O-CB 3.32Å; F238-A242 PolarHBondContact O-N 2.84Å; A242-T244 VanDerWaalsContact C-N 3.3Å; A242-T244 PolarHBondContact O-N 3.18Å; A242-V245 PolarHBondContact O-N 3.43Å; A242-L246 WeakPolarHBondContact O-CB 3.32Å; A242-L246 WeakPolarHBondContact O-CG 3.47Å; A242-L246 PolarHBondContact O-N 2.91Å
243	F	92.4	Very high	92.7	Very high	64 Å²	64	50.8 Å²	50.8	28%	0.281	26%	0.263	S	S	.	.	H	α-helix	trans	-59.3	-41.8	174.5	178.7	-98.1	0	0	0	112.2	V239 S240 S241 T247 W522 T526 W530	V239-F243 WeakPolarHBondContact O-CB 3.4Å; V239-F243 PolarHBondContact O-N 3.42Å; S240-F243 PolarHBondContact O-N 3.2Å; S241-F243 VanDerWaalsContact C-N 3.35Å; S241-F243 PolarHBondContact O-N 3.26Å; F243-T247 WeakPolarHBondContact O-CB 3.31Å; F243-T247 PolarHBondContact O-N 3.31Å; F243-T247 PolarHBondContact O-OG1 2.88Å; F243-W522 AromaticContact CD1-CD1 3.93Å; F243-W522 AromaticContact CD1-NE1 3.46Å; F243-W522 AromaticContact CE1-CD1 3.6Å; F243-W522 AromaticContact CE1-NE1 3.55Å; F243-T526 HydrophobicContact CE1-CG2 3.85Å; F243-T526 HydrophobicContact CZ-CG2 3.76Å; F243-W530 AromaticContact CD2-CZ2 3.76Å; F243-W530 HydrophobicContact CD2-CZ2 3.76Å; F243-W530 AromaticContact CE2-CD1 3.94Å; F243-W530 HydrophobicContact CE2-CD2 4.14Å; F243-W530 AromaticContact CE2-CE2 3.41Å; F243-W530 VanDerWaalsContact CE2-CE2 3.41Å; F243-W530 HydrophobicContact CE2-CG 4.43Å; F243-W530 AromaticContact CE2-CZ2 3.64Å; F243-W530 HydrophobicContact CE2-CZ2 3.64Å; F243-W530 AromaticContact CE2-NE1 3.3Å; F243-W530 VanDerWaalsContact CE2-NE1 3.3Å; F243-W530 AromaticContact CZ-CD1 3.83Å; F243-W530 AromaticContact CZ-NE1 3.41Å
244	T	91.8	Very high	92	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-50.5	173.9	-84	0	0	0	0	112.4	S240 S241 A242 L246 T247 F248 I263 S266 G518 I521	S240-T244 PolarHBondContact O-N 2.71Å; S241-T244 WeakPolarHBondContact O-CB 3.4Å; S241-T244 PolarHBondContact O-N 3.49Å; A242-T244 VanDerWaalsContact C-N 3.3Å; A242-T244 PolarHBondContact O-N 3.18Å; T244-L246 VanDerWaalsContact C-N 3.35Å; T244-L246 PolarHBondContact O-N 3.43Å; T244-T247 WeakPolarHBondContact O-CB 3.33Å; T244-T247 PolarHBondContact O-N 3.16Å; T244-F248 PolarHBondContact O-N 3.21Å; T244-I263 HydrophobicContact CG2-CD1 4.16Å; T244-S266 WeakPolarHBondContact CG2-OG 3.44Å; T244-G518 WeakPolarHBondContact OG1-CA 3.28Å; T244-I521 HydrophobicContact CG2-CD1 3.24Å; T244-I521 HydrophobicContact CG2-CG1 4.39Å; T244-I521 WeakPolarHBondContact OG1-CD1 3.47Å
245	V	93.1	Very high	91.4	Very high	22 Å²	22	51.6 Å²	51.6	13%	0.133	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-44.7	-180	174.2	0	0	0	0	110.6	S241 A242 T247 F248 L249 M267	S241-V245 WeakPolarHBondContact O-CG2 3.18Å; S241-V245 PolarHBondContact O-N 3.47Å; A242-V245 PolarHBondContact O-N 3.43Å; V245-T247 VanDerWaalsContact C-N 3.32Å; V245-T247 PolarHBondContact O-N 3.09Å; V245-F248 WeakPolarHBondContact O-CB 3.42Å; V245-F248 PolarHBondContact O-N 3.07Å; V245-L249 HydrophobicContact CG1-CD1 4.24Å; V245-L249 HydrophobicContact CG1-CG 4.47Å; V245-L249 WeakPolarHBondContact O-CG 3.38Å; V245-L249 PolarHBondContact O-N 2.98Å; V245-M267 HydrophobicContact CG2-CB 4.09Å
246	L	91.3	Very high	91	Very high	86 Å²	86	52.1 Å²	52.1	45%	0.45	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-40.2	176.2	-71.7	171.4	0	0	0	112	A242 T244 F248 L249 I250 W530	A242-L246 WeakPolarHBondContact O-CB 3.32Å; A242-L246 WeakPolarHBondContact O-CG 3.47Å; A242-L246 PolarHBondContact O-N 2.91Å; T244-L246 VanDerWaalsContact C-N 3.35Å; T244-L246 PolarHBondContact O-N 3.43Å; L246-F248 VanDerWaalsContact C-N 3.31Å; L246-F248 PolarHBondContact O-N 3.07Å; L246-L249 PolarHBondContact O-N 3.32Å; L246-I250 WeakPolarHBondContact O-CD1 3.43Å; L246-I250 VanDerWaalsContact O-CG1 3.27Å; L246-I250 WeakPolarHBondContact O-CG1 3.3Å; L246-I250 PolarHBondContact O-N 2.66Å; L246-W530 HydrophobicContact CB-CH2 4.26Å; L246-W530 HydrophobicContact CB-CZ2 4.05Å; L246-W530 HydrophobicContact CD1-CH2 4.4Å
247	T	89.8	Confident	90.7	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-41.4	176	-61.3	0	0	0	0	111.2	F243 T244 V245 I250 D251 F255 I521 T526 W530	F243-T247 WeakPolarHBondContact O-CB 3.31Å; F243-T247 PolarHBondContact O-N 3.31Å; F243-T247 PolarHBondContact O-OG1 2.88Å; T244-T247 WeakPolarHBondContact O-CB 3.33Å; T244-T247 PolarHBondContact O-N 3.16Å; V245-T247 VanDerWaalsContact C-N 3.32Å; V245-T247 PolarHBondContact O-N 3.09Å; T247-I250 PolarHBondContact O-N 2.92Å; T247-D251 PolarHBondContact O-N 3.3Å; T247-F255 HydrophobicContact CG2-CE2 4.39Å; T247-F255 HydrophobicContact CG2-CZ 4.27Å; T247-I521 HydrophobicContact CG2-CG2 3.84Å; T247-T526 HydrophobicContact CG2-CG2 3.79Å; T247-W530 PolarHBondContact OG1-NE1 3.17Å
248	F	88.9	Confident	90.3	Very high	25 Å²	25	49.1 Å²	49.1	11%	0.11	25%	0.25	C	S	.	.	H	α-helix	trans	-64.1	-43.2	173.8	172.9	-99.6	0	0	0	112.3	T244 V245 L246 I250 D251 P252 F255 I263	T244-F248 PolarHBondContact O-N 3.21Å; V245-F248 WeakPolarHBondContact O-CB 3.42Å; V245-F248 PolarHBondContact O-N 3.07Å; L246-F248 VanDerWaalsContact C-N 3.31Å; L246-F248 PolarHBondContact O-N 3.07Å; F248-I250 PolarHBondContact O-N 3.45Å; F248-D251 CarbonylContact O-C 3.57Å; F248-D251 PolarHBondContact O-N 3.48Å; F248-P252 HydrophobicContact CE2-CB 4.15Å; F248-P252 HydrophobicContact CZ-CB 4.11Å; F248-P252 WeakPolarHBondContact O-CA 3.35Å; F248-P252 WeakPolarHBondContact O-CD 3.03Å; F248-P252 WeakPolarHBondContact O-CG 3.32Å; F248-F255 HydrophobicContact CB-CD2 4.4Å; F248-F255 HydrophobicContact CB-CE2 4.46Å; F248-F255 HydrophobicContact CD2-CB 4.05Å; F248-F255 AromaticContact CD2-CD2 3.71Å; F248-F255 HydrophobicContact CD2-CD2 3.71Å; F248-F255 HydrophobicContact CD2-CG 4.2Å; F248-F255 HydrophobicContact CE2-CB 4.26Å; F248-I263 HydrophobicContact CB-CD1 4.42Å; F248-I263 HydrophobicContact CB-CG2 3.75Å; F248-I263 HydrophobicContact CD1-CG2 3.9Å; F248-I263 HydrophobicContact CD2-CB 4.49Å; F248-I263 HydrophobicContact CD2-CG1 4.05Å; F248-I263 HydrophobicContact CD2-CG2 3.88Å; F248-I263 HydrophobicContact CE1-CG2 4.49Å; F248-I263 HydrophobicContact CE2-CG2 4.49Å; F248-I263 HydrophobicContact CG-CG1 4.47Å; F248-I263 HydrophobicContact CG-CG2 3.56Å
249	L	89.8	Confident	89.8	Confident	114 Å²	114	47.7 Å²	47.7	60%	0.597	25%	0.245	S	C	*	.	H	α-helix	trans	-64.4	-28.6	178.5	-67.6	175.6	0	0	0	113	V245 L246	V245-L249 HydrophobicContact CG1-CD1 4.24Å; V245-L249 HydrophobicContact CG1-CG 4.47Å; V245-L249 WeakPolarHBondContact O-CG 3.38Å; V245-L249 PolarHBondContact O-N 2.98Å; L246-L249 PolarHBondContact O-N 3.32Å
250	I	88.6	Confident	89.6	Confident	64 Å²	64	46.6 Å²	46.6	33%	0.328	23%	0.231	S	C	.	.	H	α-helix	trans	-73.3	-40.9	175.6	-69.4	162.3	0	0	0	111.3	L246 T247 F248 S529 W530 V533	L246-I250 WeakPolarHBondContact O-CD1 3.43Å; L246-I250 VanDerWaalsContact O-CG1 3.27Å; L246-I250 WeakPolarHBondContact O-CG1 3.3Å; L246-I250 PolarHBondContact O-N 2.66Å; T247-I250 PolarHBondContact O-N 2.92Å; F248-I250 PolarHBondContact O-N 3.45Å; I250-S529 WeakPolarHBondContact CG2-OG 3.46Å; I250-W530 HydrophobicContact CD1-CD2 4.24Å; I250-W530 HydrophobicContact CD1-CE3 4.41Å; I250-W530 HydrophobicContact CD1-CH2 4.15Å; I250-W530 HydrophobicContact CD1-CZ2 3.91Å; I250-W530 HydrophobicContact CD1-CZ3 4.38Å; I250-V533 HydrophobicContact CD1-CG2 4.2Å; I250-V533 HydrophobicContact CG1-CG2 4.35Å; I250-V533 HydrophobicContact CG2-CG2 3.68Å
251	D	84.7	Confident	89.6	Confident	58 Å²	58	46.1 Å²	46.1	31%	0.31	23%	0.227	S	C	.	.			trans	-140.3	79.7	-177.4	-173.1	5.4	0	0	0	111.8	T247 F248 Q253 R254	T247-D251 PolarHBondContact O-N 3.3Å; F248-D251 CarbonylContact O-C 3.57Å; F248-D251 PolarHBondContact O-N 3.48Å; D251-Q253 VanDerWaalsContact C-N 3.3Å; D251-Q253 PolarHBondContact O-N 3.27Å; D251-R254 HydrophobicContact CB-CB 4.47Å; D251-R254 WeakPolarHBondContact O-CB 3.45Å
252	P	85.9	Confident	89.4	Confident	63 Å²	63	46.2 Å²	46.2	41%	0.409	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-68.4	-30.2	-176.7	-20.6	32	0	0	0	113	F248 R254 F255	F248-P252 HydrophobicContact CE2-CB 4.15Å; F248-P252 HydrophobicContact CZ-CB 4.11Å; F248-P252 WeakPolarHBondContact O-CA 3.35Å; F248-P252 WeakPolarHBondContact O-CD 3.03Å; F248-P252 WeakPolarHBondContact O-CG 3.32Å; P252-R254 PolarHBondContact O-N 3.47Å; P252-F255 PolarHBondContact O-N 3.37Å
253	Q	84.5	Confident	89.4	Confident	149 Å²	149	45.3 Å²	45.3	70%	0.696	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-69.7	-18.4	-174.8	-65.9	-62.1	-23	0	0	112.9	D251 F255	D251-Q253 VanDerWaalsContact C-N 3.3Å; D251-Q253 PolarHBondContact O-N 3.27Å; Q253-F255 VanDerWaalsContact C-N 3.35Å
254	R	83.3	Confident	89.5	Confident	65 Å²	65	43.2 Å²	43.2	25%	0.245	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-68.3	-30.7	176.7	178.8	178	171.4	-172	-4.5	113.5	D251 P252 T523 T526	D251-R254 HydrophobicContact CB-CB 4.47Å; D251-R254 WeakPolarHBondContact O-CB 3.45Å; P252-R254 PolarHBondContact O-N 3.47Å; R254-T523 PolarHBondContact NH2-OG1 2.77Å; R254-T526 PolarHBondContact NH1-OG1 2.95Å; R254-T526 PolarHBondContact NH2-OG1 3.05Å
255	F	85.1	Confident	89.7	Confident	8 Å²	8	43.3 Å²	43.3	4%	0.035	21%	0.211	C	C	.	.			trans	-109	82.4	-169.4	-59.2	-80.2	0	0	0	111.1	T247 F248 P252 Q253 I263 I521	T247-F255 HydrophobicContact CG2-CE2 4.39Å; T247-F255 HydrophobicContact CG2-CZ 4.27Å; F248-F255 HydrophobicContact CB-CD2 4.4Å; F248-F255 HydrophobicContact CB-CE2 4.46Å; F248-F255 HydrophobicContact CD2-CB 4.05Å; F248-F255 AromaticContact CD2-CD2 3.71Å; F248-F255 HydrophobicContact CD2-CD2 3.71Å; F248-F255 HydrophobicContact CD2-CG 4.2Å; F248-F255 HydrophobicContact CE2-CB 4.26Å; P252-F255 PolarHBondContact O-N 3.37Å; Q253-F255 VanDerWaalsContact C-N 3.35Å; F255-I263 HydrophobicContact CB-CG1 4.25Å; F255-I263 HydrophobicContact CD1-CD1 4.04Å; F255-I263 HydrophobicContact CD1-CG1 4.49Å; F255-I263 HydrophobicContact CE1-CD1 4.27Å; F255-I263 HydrophobicContact CG-CD1 4.17Å; F255-I263 HydrophobicContact CG-CG1 4.3Å; F255-I521 HydrophobicContact CE1-CD1 4.13Å; F255-I521 HydrophobicContact CE1-CG1 4.34Å; F255-I521 HydrophobicContact CE1-CG2 4.19Å; F255-I521 HydrophobicContact CZ-CD1 4.21Å; F255-I521 HydrophobicContact CZ-CG2 3.8Å
256	K	88.6	Confident	89.8	Confident	97 Å²	97	42.2 Å²	42.2	42%	0.422	21%	0.205	S	C	.	.			trans	-87.7	166	176.1	-60.9	-173.6	171.4	-165.2	0	111.1	E259 R260 H343	K256-E259 WeakPolarHBondContact O-CB 3.31Å; K256-E259 PolarHBondContact O-N 3.1Å; K256-R260 PolarHBondContact O-N 3.17Å; K256-H343 PolarHBondContact NZ-NE2 3.43Å
257	Y	90.4	Very high	90	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.02	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	141.7	168.5	-77.5	-83.5	0	0	0	110	R260 P261 T332 H343 I346 E347 S350 F353	Y257-R260 HydrophobicContact CD1-CB 4.28Å; Y257-R260 HydrophobicContact CD2-CB 4.4Å; Y257-R260 HydrophobicContact CE1-CB 4.27Å; Y257-R260 HydrophobicContact CE2-CB 4.38Å; Y257-R260 HydrophobicContact CG-CB 4.35Å; Y257-P261 HydrophobicContact CD1-CG 4.36Å; Y257-P261 HydrophobicContact CE1-CG 4.1Å; Y257-T332 HydrophobicContact CD1-CG2 4.3Å; Y257-H343 WeakPolarHBondContact O-CB 3.48Å; Y257-I346 HydrophobicContact CD1-CG2 3.64Å; Y257-I346 HydrophobicContact CE1-CG2 4.43Å; Y257-I346 HydrophobicContact CG-CB 4.48Å; Y257-I346 HydrophobicContact CG-CG2 3.8Å; Y257-E347 HydrophobicContact CD2-CB 3.83Å; Y257-E347 HydrophobicContact CD2-CG 4.09Å; Y257-E347 HydrophobicContact CE2-CB 4.36Å; Y257-E347 HydrophobicContact CE2-CG 4.27Å; Y257-S350 WeakPolarHBondContact OH-CB 3.49Å; Y257-F353 HydrophobicContact CE1-CD2 4.15Å
258	P	88.5	Confident	90.4	Very high	18 Å²	18	41.1 Å²	41.1	12%	0.117	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.4	9	8.4	35.9	-36.2	0	0	0	115.6	P261 A336 I346 I443	P258-P261 VanDerWaalsContact O-CD 3.26Å; P258-P261 WeakPolarHBondContact O-CD 3.37Å; P258-A336 HydrophobicContact CG-CB 4.25Å; P258-I346 HydrophobicContact CB-CD1 4.43Å; P258-I443 HydrophobicContact CG-CD1 3.95Å
259	E	87.5	Confident	90.8	Very high	42 Å²	42	40.4 Å²	40.4	20%	0.196	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-26.1	-178.5	-64.3	-179.9	-139.5	0	0	113.4	K256 I262 L439 I443	K256-E259 WeakPolarHBondContact O-CB 3.31Å; K256-E259 PolarHBondContact O-N 3.1Å; E259-I262 WeakPolarHBondContact O-CB 3.27Å; E259-I262 PolarHBondContact O-N 3.12Å; E259-L439 HydrophobicContact CG-CD1 4.13Å; E259-L439 WeakPolarHBondContact OE1-CD1 3.38Å; E259-L439 WeakPolarHBondContact OE1-CD2 3.32Å; E259-I443 HydrophobicContact CG-CD1 3.86Å
260	R	91.2	Very high	91.2	Very high	67 Å²	67	36 Å²	36	25%	0.253	17%	0.173	S	C	.	.	H	α-helix	trans	-52.7	-38	-174.5	-156.3	176.5	179.4	163.5	-4.8	115.4	K256 Y257 I262 I263 F264 E347	K256-R260 PolarHBondContact O-N 3.17Å; Y257-R260 HydrophobicContact CD1-CB 4.28Å; Y257-R260 HydrophobicContact CD2-CB 4.4Å; Y257-R260 HydrophobicContact CE1-CB 4.27Å; Y257-R260 HydrophobicContact CE2-CB 4.38Å; Y257-R260 HydrophobicContact CG-CB 4.35Å; R260-I262 PolarHBondContact O-N 3.24Å; R260-I263 WeakPolarHBondContact O-CB 3.39Å; R260-I263 PolarHBondContact O-N 3.45Å; R260-F264 HydrophobicContact CG-CD2 4.49Å; R260-F264 HydrophobicContact CG-CE2 3.74Å; R260-F264 HydrophobicContact CG-CZ 4.3Å; R260-F264 WeakPolarHBondContact O-CD2 3.46Å; R260-F264 PolarHBondContact O-N 3.29Å; R260-E347 IonicContact NH1-OE1 3.04Å; R260-E347 PolarHBondContact NH1-OE1 3.07Å
261	P	94.7	Very high	91.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.3	-31.4	173.8	-28.3	37.8	0	0	0	114.7	Y257 P258 I263 F264 L265 W325 I328 L329	Y257-P261 HydrophobicContact CD1-CG 4.36Å; Y257-P261 HydrophobicContact CE1-CG 4.1Å; P258-P261 VanDerWaalsContact O-CD 3.26Å; P258-P261 WeakPolarHBondContact O-CD 3.37Å; P261-I263 PolarHBondContact O-N 3.41Å; P261-F264 PolarHBondContact O-N 3.44Å; P261-L265 WeakPolarHBondContact O-CB 3.48Å; P261-L265 PolarHBondContact O-N 3.23Å; P261-W325 HydrophobicContact CB-CE3 4.02Å; P261-W325 HydrophobicContact CB-CZ3 4.47Å; P261-I328 HydrophobicContact CB-CG2 4.42Å; P261-I328 HydrophobicContact CG-CG2 4.03Å; P261-L329 HydrophobicContact CB-CB 3.98Å; P261-L329 HydrophobicContact CB-CD1 4.21Å
262	I	92.9	Very high	92.2	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-36.5	176.9	-58.3	175.5	0	0	0	110.4	E259 R260 L265 S266 L329 F446 W520	E259-I262 WeakPolarHBondContact O-CB 3.27Å; E259-I262 PolarHBondContact O-N 3.12Å; R260-I262 PolarHBondContact O-N 3.24Å; I262-L265 WeakPolarHBondContact O-CB 3.17Å; I262-L265 PolarHBondContact O-N 3.46Å; I262-S266 PolarHBondContact O-N 3.26Å; I262-S266 PolarHBondContact O-OG 3.39Å; I262-S266 VanDerWaalsContact O-OG 3.14Å; I262-L329 HydrophobicContact CD1-CD1 4.27Å; I262-L329 HydrophobicContact CG1-CD1 3.79Å; I262-L329 HydrophobicContact CG1-CD2 3.91Å; I262-F446 HydrophobicContact CD1-CD1 4.02Å; I262-F446 HydrophobicContact CD1-CE1 4.16Å; I262-F446 HydrophobicContact CG1-CD1 4.36Å; I262-F446 HydrophobicContact CG1-CE1 4.09Å; I262-F446 HydrophobicContact CG2-CE1 4.17Å; I262-F446 HydrophobicContact CG2-CZ 4.38Å; I262-W520 HydrophobicContact CD1-CD2 4.35Å; I262-W520 HydrophobicContact CD1-CG 4.33Å; I262-W520 HydrophobicContact CD1-CZ2 4.34Å
263	I	93.7	Very high	92.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-43.6	178.8	-52.6	-55.1	0	0	0	111.2	T244 F248 F255 R260 P261 L265 S266 M267 I521	T244-I263 HydrophobicContact CG2-CD1 4.16Å; F248-I263 HydrophobicContact CB-CD1 4.42Å; F248-I263 HydrophobicContact CB-CG2 3.75Å; F248-I263 HydrophobicContact CD1-CG2 3.9Å; F248-I263 HydrophobicContact CD2-CB 4.49Å; F248-I263 HydrophobicContact CD2-CG1 4.05Å; F248-I263 HydrophobicContact CD2-CG2 3.88Å; F248-I263 HydrophobicContact CE1-CG2 4.49Å; F248-I263 HydrophobicContact CE2-CG2 4.49Å; F248-I263 HydrophobicContact CG-CG1 4.47Å; F248-I263 HydrophobicContact CG-CG2 3.56Å; F255-I263 HydrophobicContact CB-CG1 4.25Å; F255-I263 HydrophobicContact CD1-CD1 4.04Å; F255-I263 HydrophobicContact CD1-CG1 4.49Å; F255-I263 HydrophobicContact CE1-CD1 4.27Å; F255-I263 HydrophobicContact CG-CD1 4.17Å; F255-I263 HydrophobicContact CG-CG1 4.3Å; R260-I263 WeakPolarHBondContact O-CB 3.39Å; R260-I263 PolarHBondContact O-N 3.45Å; P261-I263 PolarHBondContact O-N 3.41Å; I263-L265 VanDerWaalsContact C-N 3.32Å; I263-S266 PolarHBondContact O-N 2.93Å; I263-M267 WeakPolarHBondContact O-CB 3.4Å; I263-M267 PolarHBondContact O-N 3.35Å; I263-I521 HydrophobicContact CD1-CD1 3.42Å; I263-I521 VanDerWaalsContact CD1-CD1 3.42Å
264	F	95.7	Very high	93.4	Very high	21 Å²	21	24.8 Å²	24.8	9%	0.092	12%	0.119	C	C	.	.	H	α-helix	trans	-69.3	-32.4	177.9	-62.4	-59.3	0	0	0	112.4	R260 P261 M267 S268 W325 H354	R260-F264 HydrophobicContact CG-CD2 4.49Å; R260-F264 HydrophobicContact CG-CE2 3.74Å; R260-F264 HydrophobicContact CG-CZ 4.3Å; R260-F264 WeakPolarHBondContact O-CD2 3.46Å; R260-F264 PolarHBondContact O-N 3.29Å; P261-F264 PolarHBondContact O-N 3.44Å; F264-M267 HydrophobicContact CD1-CE 4.37Å; F264-M267 PolarHBondContact O-N 2.92Å; F264-S268 PolarHBondContact O-N 2.98Å; F264-S268 PolarHBondContact O-OG 2.92Å; F264-W325 HydrophobicContact CB-CD2 3.53Å; F264-W325 VanDerWaalsContact CB-CE2 3.41Å; F264-W325 HydrophobicContact CB-CE3 4.01Å; F264-W325 HydrophobicContact CB-CG 3.91Å; F264-W325 HydrophobicContact CB-CH2 4.3Å; F264-W325 HydrophobicContact CB-CZ2 3.83Å; F264-W325 HydrophobicContact CB-CZ3 4.37Å; F264-W325 HydrophobicContact CD1-CZ2 4.5Å; F264-W325 HydrophobicContact CD2-CD2 4.39Å; F264-W325 HydrophobicContact CD2-CE3 4.1Å; F264-W325 AromaticContact CD2-CH2 3.55Å; F264-W325 HydrophobicContact CD2-CH2 3.55Å; F264-W325 AromaticContact CD2-CZ2 3.84Å; F264-W325 HydrophobicContact CD2-CZ2 3.84Å; F264-W325 AromaticContact CD2-CZ3 3.67Å; F264-W325 HydrophobicContact CD2-CZ3 3.67Å; F264-W325 HydrophobicContact CE2-CH2 4.08Å; F264-W325 HydrophobicContact CE2-CZ3 4.41Å; F264-W325 HydrophobicContact CG-CD2 4.3Å; F264-W325 AromaticContact CG-CE2 3.95Å; F264-W325 HydrophobicContact CG-CE3 4.46Å; F264-W325 HydrophobicContact CG-CH2 4.03Å; F264-W325 AromaticContact CG-CZ2 3.82Å; F264-W325 HydrophobicContact CG-CZ2 3.82Å; F264-W325 HydrophobicContact CG-CZ3 4.34Å; F264-H354 AromaticContact CD2-CE1 3.85Å; F264-H354 AromaticContact CE1-CE1 3.74Å; F264-H354 AromaticContact CE2-CE1 3.29Å; F264-H354 WeakPolarHBondContact CE2-CE1 3.02Å; F264-H354 AromaticContact CE2-NE2 3.51Å; F264-H354 AromaticContact CZ-CE1 3.25Å; F264-H354 WeakPolarHBondContact CZ-CE1 3.39Å; F264-H354 AromaticContact CZ-NE2 3.61Å
265	L	95.4	Very high	93.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-61.9	-50.9	169.2	-176.7	151	0	0	0	110.8	P261 I262 I263 M267 S268 Y269 W325 W326 Y450 V513	P261-L265 WeakPolarHBondContact O-CB 3.48Å; P261-L265 PolarHBondContact O-N 3.23Å; I262-L265 WeakPolarHBondContact O-CB 3.17Å; I262-L265 PolarHBondContact O-N 3.46Å; I263-L265 VanDerWaalsContact C-N 3.32Å; L265-M267 VanDerWaalsContact C-N 3.32Å; L265-M267 PolarHBondContact O-N 3.18Å; L265-S268 WeakPolarHBondContact O-CB 3.05Å; L265-S268 PolarHBondContact O-N 2.76Å; L265-S268 VanDerWaalsContact O-N 3.14Å; L265-Y269 HydrophobicContact CD2-CD2 3.69Å; L265-Y269 HydrophobicContact CD2-CE2 3.82Å; L265-Y269 HydrophobicContact CG-CD2 4.14Å; L265-Y269 HydrophobicContact CG-CE2 4.06Å; L265-Y269 VanDerWaalsContact O-CD2 3.31Å; L265-Y269 WeakPolarHBondContact O-CD2 3.38Å; L265-Y269 PolarHBondContact O-N 2.93Å; L265-W325 HydrophobicContact CB-CB 4.16Å; L265-W326 HydrophobicContact CD1-CB 4.05Å; L265-Y450 HydrophobicContact CD1-CD2 4.2Å; L265-Y450 HydrophobicContact CD1-CE2 3.82Å; L265-V513 HydrophobicContact CD2-CG1 4.16Å
266	S	95.4	Very high	94.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.6	-34.8	175.7	-60.1	0	0	0	0	112.8	S241 T244 I262 I263 S268 Y269 C270 S517	S241-S266 WeakPolarHBondContact CB-O 3.11Å; T244-S266 WeakPolarHBondContact CG2-OG 3.44Å; I262-S266 PolarHBondContact O-N 3.26Å; I262-S266 PolarHBondContact O-OG 3.39Å; I262-S266 VanDerWaalsContact O-OG 3.14Å; I263-S266 PolarHBondContact O-N 2.93Å; S266-S268 VanDerWaalsContact C-N 3.32Å; S266-S268 PolarHBondContact O-N 3.25Å; S266-Y269 PolarHBondContact O-N 3.44Å; S266-C270 WeakPolarHBondContact O-CB 3.27Å; S266-C270 PolarHBondContact O-N 3.4Å; S266-S517 VanDerWaalsContact OG-CB 3.28Å; S266-S517 WeakPolarHBondContact OG-CB 3.5Å; S266-S517 PolarHBondContact OG-OG 3.49Å
267	M	96	Very high	94.8	Very high	64 Å²	64	18.3 Å²	18.3	32%	0.315	9%	0.093	S	C	.	.	H	α-helix	trans	-60.7	-43.6	172.6	-178.2	-175	-67.7	0	0	111.1	V245 I263 F264 L265 C270 V271	V245-M267 HydrophobicContact CG2-CB 4.09Å; I263-M267 WeakPolarHBondContact O-CB 3.4Å; I263-M267 PolarHBondContact O-N 3.35Å; F264-M267 HydrophobicContact CD1-CE 4.37Å; F264-M267 PolarHBondContact O-N 2.92Å; L265-M267 VanDerWaalsContact C-N 3.32Å; L265-M267 PolarHBondContact O-N 3.18Å; M267-C270 WeakPolarHBondContact O-CB 3.48Å; M267-C270 PolarHBondContact O-N 3.05Å; M267-V271 PolarHBondContact O-N 3.35Å
268	S	97.6	Very high	95	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.2	-44.5	176.6	-54.7	0	0	0	0	111.1	F264 L265 S266 C270 V271 Y272	F264-S268 PolarHBondContact O-N 2.98Å; F264-S268 PolarHBondContact O-OG 2.92Å; L265-S268 WeakPolarHBondContact O-CB 3.05Å; L265-S268 PolarHBondContact O-N 2.76Å; L265-S268 VanDerWaalsContact O-N 3.14Å; S266-S268 VanDerWaalsContact C-N 3.32Å; S266-S268 PolarHBondContact O-N 3.25Å; S268-C270 PolarHBondContact O-N 3.3Å; S268-V271 PolarHBondContact O-N 3.34Å; S268-Y272 WeakPolarHBondContact O-CB 3.48Å; S268-Y272 PolarHBondContact O-N 2.99Å
269	Y	97.4	Very high	94.9	Very high	9 Å²	9	20 Å²	20	4%	0.035	10%	0.099	C	C	.	.	H	α-helix	trans	-68.1	-30.9	177	-82.6	-70.7	0	0	0	114.3	L265 S266 Y272 S273 L510 V513	L265-Y269 HydrophobicContact CD2-CD2 3.69Å; L265-Y269 HydrophobicContact CD2-CE2 3.82Å; L265-Y269 HydrophobicContact CG-CD2 4.14Å; L265-Y269 HydrophobicContact CG-CE2 4.06Å; L265-Y269 VanDerWaalsContact O-CD2 3.31Å; L265-Y269 WeakPolarHBondContact O-CD2 3.38Å; L265-Y269 PolarHBondContact O-N 2.93Å; S266-Y269 PolarHBondContact O-N 3.44Å; Y269-Y272 HydrophobicContact CD1-CD1 4.09Å; Y269-Y272 HydrophobicContact CE1-CD1 4.27Å; Y269-S273 WeakPolarHBondContact O-CB 3.19Å; Y269-S273 PolarHBondContact O-N 3.19Å; Y269-S273 PolarHBondContact O-OG 2.93Å; Y269-L510 WeakPolarHBondContact CE1-O 3.25Å; Y269-V513 HydrophobicContact CD2-CG1 4.08Å; Y269-V513 HydrophobicContact CE1-CB 4.19Å; Y269-V513 HydrophobicContact CE1-CG1 4.43Å; Y269-V513 HydrophobicContact CE2-CB 3.91Å; Y269-V513 HydrophobicContact CE2-CG1 3.27Å; Y269-V513 VanDerWaalsContact CZ-CG1 3.47Å; Y269-V513 WeakPolarHBondContact OH-CG1 3.13Å
270	C	97.1	Very high	95	Very high	21 Å²	21	21 Å²	21	14%	0.142	11%	0.106	C	C	.	.	H	α-helix	trans	-59.5	-47.8	171.9	-170.9	0	0	0	0	110.5	S266 M267 S268 S273 V274	S266-C270 WeakPolarHBondContact O-CB 3.27Å; S266-C270 PolarHBondContact O-N 3.4Å; M267-C270 WeakPolarHBondContact O-CB 3.48Å; M267-C270 PolarHBondContact O-N 3.05Å; S268-C270 PolarHBondContact O-N 3.3Å; C270-S273 PolarHBondContact O-OG 3.39Å; C270-V274 WeakPolarHBondContact O-CG2 3.4Å
271	V	97.9	Very high	94.8	Very high	48 Å²	48	26.3 Å²	26.3	29%	0.291	13%	0.131	S	C	.	.	H	α-helix	trans	-75.1	-38.5	178.3	-172.3	0	0	0	0	111.7	M267 S268 S273 V274 G275 I314 F318	M267-V271 PolarHBondContact O-N 3.35Å; S268-V271 PolarHBondContact O-N 3.34Å; V271-S273 VanDerWaalsContact C-N 3.35Å; V271-S273 PolarHBondContact O-N 2.84Å; V271-V274 WeakPolarHBondContact O-CB 3.4Å; V271-V274 PolarHBondContact O-N 2.82Å; V271-V274 VanDerWaalsContact O-N 3.1Å; V271-G275 PolarHBondContact O-N 3.03Å; V271-I314 HydrophobicContact CG1-CG2 4.13Å; V271-I314 WeakPolarHBondContact O-CG2 3.34Å; V271-F318 HydrophobicContact CB-CD1 4.15Å; V271-F318 HydrophobicContact CB-CD2 3.96Å; V271-F318 HydrophobicContact CB-CE1 4.18Å; V271-F318 HydrophobicContact CB-CE2 4.02Å; V271-F318 HydrophobicContact CB-CG 4.03Å; V271-F318 HydrophobicContact CB-CZ 4.12Å; V271-F318 HydrophobicContact CG1-CD2 3.56Å; V271-F318 HydrophobicContact CG1-CE1 4.33Å; V271-F318 HydrophobicContact CG1-CE2 3.35Å; V271-F318 HydrophobicContact CG1-CG 4.16Å; V271-F318 HydrophobicContact CG1-CZ 3.77Å; V271-F318 HydrophobicContact CG2-CE1 4.26Å; V271-F318 HydrophobicContact CG2-CZ 4.29Å
272	Y	97.7	Very high	94.6	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-58.4	-43.6	176.9	-176.7	-101.3	0	0	0	112.4	S268 Y269 V274 G275 Y276 L315 L510 L511	S268-Y272 WeakPolarHBondContact O-CB 3.48Å; S268-Y272 PolarHBondContact O-N 2.99Å; Y269-Y272 HydrophobicContact CD1-CD1 4.09Å; Y269-Y272 HydrophobicContact CE1-CD1 4.27Å; Y272-V274 VanDerWaalsContact C-N 3.3Å; Y272-V274 PolarHBondContact O-N 3.36Å; Y272-G275 PolarHBondContact O-N 2.96Å; Y272-Y276 HydrophobicContact CD1-CE2 4.27Å; Y272-Y276 HydrophobicContact CE1-CD2 4.33Å; Y272-Y276 AromaticContact CE1-CE2 3.58Å; Y272-Y276 HydrophobicContact CE1-CE2 3.58Å; Y272-Y276 AromaticContact CZ-CE2 3.8Å; Y272-Y276 PolarHBondContact OH-OH 2.91Å; Y272-L315 HydrophobicContact CD2-CB 4.41Å; Y272-L315 HydrophobicContact CD2-CD2 3.93Å; Y272-L315 WeakPolarHBondContact CD2-O 3.46Å; Y272-L315 HydrophobicContact CE2-CB 4.01Å; Y272-L315 HydrophobicContact CE2-CD2 3.75Å; Y272-L315 WeakPolarHBondContact CE2-O 3.07Å; Y272-L315 HydrophobicContact CG-CD2 4.39Å; Y272-L315 WeakPolarHBondContact O-CD2 3.35Å; Y272-L510 HydrophobicContact CE1-CB 4.34Å; Y272-L511 HydrophobicContact CD1-CD2 4.22Å; Y272-L511 HydrophobicContact CE1-CD2 4.21Å
273	S	97.6	Very high	94.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-32.4	175.9	55.7	0	0	0	0	112.9	F238 Y269 C270 V271 G275 Y276 L277	F238-S273 WeakPolarHBondContact CA-OG 3.24Å; F238-S273 WeakPolarHBondContact CB-OG 3.43Å; Y269-S273 WeakPolarHBondContact O-CB 3.19Å; Y269-S273 PolarHBondContact O-N 3.19Å; Y269-S273 PolarHBondContact O-OG 2.93Å; C270-S273 PolarHBondContact O-OG 3.39Å; V271-S273 VanDerWaalsContact C-N 3.35Å; V271-S273 PolarHBondContact O-N 2.84Å; S273-G275 PolarHBondContact O-N 3.35Å; S273-Y276 PolarHBondContact O-N 3.36Å; S273-Y276 VanDerWaalsContact O-N 3.14Å; S273-L277 WeakPolarHBondContact O-CG 3.26Å; S273-L277 PolarHBondContact O-N 3.49Å
274	V	96.8	Very high	93.9	Very high	48 Å²	48	32.4 Å²	32.4	29%	0.291	18%	0.176	S	C	.	.	H	α-helix	trans	-59.3	-35.8	171.6	174.5	0	0	0	0	111.3	F238 C270 V271 Y272 Y276 L277 I278	F238-V274 HydrophobicContact CD2-CG2 3.76Å; F238-V274 HydrophobicContact CE2-CG2 3.54Å; C270-V274 WeakPolarHBondContact O-CG2 3.4Å; V271-V274 WeakPolarHBondContact O-CB 3.4Å; V271-V274 PolarHBondContact O-N 2.82Å; V271-V274 VanDerWaalsContact O-N 3.1Å; Y272-V274 VanDerWaalsContact C-N 3.3Å; Y272-V274 PolarHBondContact O-N 3.36Å; V274-Y276 VanDerWaalsContact C-N 3.26Å; V274-Y276 PolarHBondContact O-N 3.02Å; V274-L277 PolarHBondContact O-N 3.12Å; V274-I278 HydrophobicContact CG1-CD1 4.1Å; V274-I278 HydrophobicContact CG1-CG1 4.11Å; V274-I278 VanDerWaalsContact O-CG1 3.28Å; V274-I278 WeakPolarHBondContact O-CG1 3.23Å; V274-I278 PolarHBondContact O-N 3.36Å
275	G	95.4	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-54.2	-41.5	175.1	0	0	0	0	0	113.1	V271 Y272 S273	V271-G275 PolarHBondContact O-N 3.03Å; Y272-G275 PolarHBondContact O-N 2.96Å; S273-G275 PolarHBondContact O-N 3.35Å
276	Y	95.4	Very high	93.1	Very high	15 Å²	15	43.9 Å²	43.9	6%	0.059	22%	0.223	C	C	.	.	H	α-helix	trans	-76	-34.7	174	-71.5	-70	0	0	0	113.1	I230 Y272 S273 V274 I278 R279 L315 V382 L511	I230-Y276 HydrophobicContact CG2-CD1 3.67Å; I230-Y276 HydrophobicContact CG2-CG 4.01Å; Y272-Y276 HydrophobicContact CD1-CE2 4.27Å; Y272-Y276 HydrophobicContact CE1-CD2 4.33Å; Y272-Y276 AromaticContact CE1-CE2 3.58Å; Y272-Y276 HydrophobicContact CE1-CE2 3.58Å; Y272-Y276 AromaticContact CZ-CE2 3.8Å; Y272-Y276 PolarHBondContact OH-OH 2.91Å; S273-Y276 PolarHBondContact O-N 3.36Å; S273-Y276 VanDerWaalsContact O-N 3.14Å; V274-Y276 VanDerWaalsContact C-N 3.26Å; V274-Y276 PolarHBondContact O-N 3.02Å; Y276-I278 VanDerWaalsContact C-N 3.34Å; Y276-I278 PolarHBondContact O-N 2.94Å; Y276-R279 WeakPolarHBondContact O-CB 3.26Å; Y276-R279 PolarHBondContact O-N 3.09Å; Y276-L315 HydrophobicContact CD2-CD2 3.75Å; Y276-L315 HydrophobicContact CE1-CD1 4.46Å; Y276-L315 HydrophobicContact CE2-CD2 3.6Å; Y276-L315 HydrophobicContact CG-CD2 4.32Å; Y276-V382 HydrophobicContact CD1-CG1 4.12Å; Y276-V382 HydrophobicContact CE1-CG1 4.44Å; Y276-V382 HydrophobicContact CE1-CG2 4.2Å; Y276-L511 HydrophobicContact CD2-CD2 4.04Å; Y276-L511 HydrophobicContact CE2-CD2 4.23Å
277	L	95.8	Very high	92.9	Very high	19 Å²	19	44 Å²	44	10%	0.099	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-31	178.1	-66.7	174.9	0	0	0	112.9	S234 I235 F238 S273 V274 R279 L280 F281	S234-L277 WeakPolarHBondContact OG-CD2 3.31Å; I235-L277 HydrophobicContact CG1-CD2 3.68Å; F238-L277 HydrophobicContact CB-CD1 3.97Å; F238-L277 HydrophobicContact CD1-CD1 4.39Å; F238-L277 HydrophobicContact CD2-CD1 4.23Å; F238-L277 HydrophobicContact CG-CD1 3.93Å; S273-L277 WeakPolarHBondContact O-CG 3.26Å; S273-L277 PolarHBondContact O-N 3.49Å; V274-L277 PolarHBondContact O-N 3.12Å; L277-R279 PolarHBondContact O-N 3.12Å; L277-L280 HydrophobicContact CD2-CD1 3.77Å; L277-L280 WeakPolarHBondContact O-CB 3.21Å; L277-L280 PolarHBondContact O-N 3.38Å; L277-F281 HydrophobicContact CB-CE2 4.4Å; L277-F281 VanDerWaalsContact O-CD2 3.28Å; L277-F281 WeakPolarHBondContact O-CD2 3.23Å; L277-F281 PolarHBondContact O-N 3.45Å
278	I	94.3	Very high	92.6	Very high	39 Å²	39	41 Å²	41	20%	0.2	21%	0.21	C	C	.	.	H	α-helix	trans	-55.1	-38.1	176.5	-72.2	164	0	0	0	110.5	V274 Y276 L280 F281 V282 I287 V311 I314	V274-I278 HydrophobicContact CG1-CD1 4.1Å; V274-I278 HydrophobicContact CG1-CG1 4.11Å; V274-I278 VanDerWaalsContact O-CG1 3.28Å; V274-I278 WeakPolarHBondContact O-CG1 3.23Å; V274-I278 PolarHBondContact O-N 3.36Å; Y276-I278 VanDerWaalsContact C-N 3.34Å; Y276-I278 PolarHBondContact O-N 2.94Å; I278-L280 VanDerWaalsContact C-N 3.28Å; I278-L280 PolarHBondContact O-N 3.39Å; I278-F281 PolarHBondContact O-N 2.7Å; I278-V282 HydrophobicContact CG2-CB 4.46Å; I278-V282 HydrophobicContact CG2-CG2 3.97Å; I278-V282 WeakPolarHBondContact O-CB 3.41Å; I278-V282 WeakPolarHBondContact O-CG2 3.47Å; I278-V282 PolarHBondContact O-N 3.2Å; I278-I287 HydrophobicContact CG2-CD1 3.82Å; I278-V311 HydrophobicContact CB-CG2 4.31Å; I278-V311 HydrophobicContact CD1-CG2 4.42Å; I278-V311 HydrophobicContact CG2-CG2 3.91Å; I278-I314 HydrophobicContact CD1-CD1 3.56Å
279	R	87.9	Confident	92.3	Very high	18 Å²	18	41.8 Å²	41.8	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-56.8	-39.2	174.3	-180	-175	174.1	-159.8	-1.2	113	Y276 L277 G283 A284 I287 T380 V382	Y276-R279 WeakPolarHBondContact O-CB 3.26Å; Y276-R279 PolarHBondContact O-N 3.09Å; L277-R279 PolarHBondContact O-N 3.12Å; R279-G283 CarbonylContact O-C 3.57Å; R279-G283 VanDerWaalsContact O-CA 3.27Å; R279-G283 WeakPolarHBondContact O-CA 3.48Å; R279-G283 PolarHBondContact O-N 3.37Å; R279-A284 HydrophobicContact CG-CB 4.11Å; R279-I287 VanDerWaalsContact CA-CD1 3.48Å; R279-I287 HydrophobicContact CB-CD1 4.13Å; R279-T380 WeakPolarHBondContact CD-O 3.37Å; R279-T380 VanDerWaalsContact CZ-C 3.47Å; R279-T380 PolarHBondContact NE-O 3.37Å; R279-T380 VanDerWaalsContact NE-O 3.11Å; R279-T380 VanDerWaalsContact NH1-C 3.25Å; R279-T380 PolarHBondContact NH1-O 2.95Å; R279-V382 HydrophobicContact CB-CG1 4.46Å
280	L	88.3	Confident	91.9	Very high	64 Å²	64	43.7 Å²	43.7	34%	0.335	23%	0.226	S	C	.	.	H	α-helix	trans	-70.3	-35.9	-176.8	-57.4	178	0	0	0	112.4	A231 L277 I278	A231-L280 HydrophobicContact CB-CD1 3.77Å; A231-L280 HydrophobicContact CB-CD2 3.86Å; A231-L280 HydrophobicContact CB-CG 4.47Å; L277-L280 HydrophobicContact CD2-CD1 3.77Å; L277-L280 WeakPolarHBondContact O-CB 3.21Å; L277-L280 PolarHBondContact O-N 3.38Å; I278-L280 VanDerWaalsContact C-N 3.28Å; I278-L280 PolarHBondContact O-N 3.39Å
281	F	88.6	Confident	91.5	Very high	178 Å²	178	50.7 Å²	50.7	78%	0.781	25%	0.249	S	C	*	.	H	α-helix	trans	-88	-36.7	-177.5	-65.3	-70.9	0	0	0	113.3	L277 I278	L277-F281 HydrophobicContact CB-CE2 4.4Å; L277-F281 VanDerWaalsContact O-CD2 3.28Å; L277-F281 WeakPolarHBondContact O-CD2 3.23Å; L277-F281 PolarHBondContact O-N 3.45Å; I278-F281 PolarHBondContact O-N 2.7Å
282	V	90.1	Very high	90.7	Very high	82 Å²	82	49.5 Å²	49.5	50%	0.497	24%	0.241	S	C	.	.	H	α-helix	trans	-93.8	-25.6	-174.3	-177.6	0	0	0	0	112	I278 R286 I287	I278-V282 HydrophobicContact CG2-CB 4.46Å; I278-V282 HydrophobicContact CG2-CG2 3.97Å; I278-V282 WeakPolarHBondContact O-CB 3.41Å; I278-V282 WeakPolarHBondContact O-CG2 3.47Å; I278-V282 PolarHBondContact O-N 3.2Å; V282-R286 HydrophobicContact CG1-CB 3.88Å; V282-I287 HydrophobicContact CB-CD1 4.32Å; V282-I287 HydrophobicContact CG1-CG1 4.31Å
283	G	86.5	Confident	89.8	Confident	27 Å²	27	55.8 Å²	55.8	28%	0.278	28%	0.275	S	S	.	.			trans	92.6	143	-173.7	0	0	0	0	0	112.3	R279 D285 R286	R279-G283 CarbonylContact O-C 3.57Å; R279-G283 VanDerWaalsContact O-CA 3.27Å; R279-G283 WeakPolarHBondContact O-CA 3.48Å; R279-G283 PolarHBondContact O-N 3.37Å; G283-D285 VanDerWaalsContact C-N 3.35Å; G283-D285 PolarHBondContact O-N 2.87Å; G283-R286 PolarHBondContact O-N 3Å
284	A	85.6	Confident	88.9	Confident	23 Å²	23	59.4 Å²	59.4	19%	0.19	31%	0.313	C	S	.	.	H	α-helix	trans	-62.2	-41.5	-178.8	0	0	0	0	0	112.3	R279 R286 I287 A288	R279-A284 HydrophobicContact CG-CB 4.11Å; A284-R286 VanDerWaalsContact C-N 3.25Å; A284-R286 PolarHBondContact O-N 2.87Å; A284-I287 PolarHBondContact O-N 3.34Å; A284-A288 PolarHBondContact O-N 3.04Å
285	D	85.4	Confident	88.2	Confident	66 Å²	66	59.4 Å²	59.4	35%	0.353	31%	0.313	S	S	.	.	H	α-helix	trans	-65.4	-30.1	-174.5	-35.8	-33.3	0	0	0	112.2	G283 I287 C289	G283-D285 VanDerWaalsContact C-N 3.35Å; G283-D285 PolarHBondContact O-N 2.87Å; D285-I287 VanDerWaalsContact C-N 3.32Å; D285-C289 WeakPolarHBondContact O-CB 3.44Å; D285-C289 PolarHBondContact O-N 3.36Å
286	R	87.7	Confident	87.9	Confident	196 Å²	196	61.9 Å²	61.9	74%	0.74	32%	0.324	S	S	*	.	H	α-helix	trans	-76.3	-21.4	177	-69.6	-73.6	-168.9	174.9	1.7	112.8	V282 G283 A284	V282-R286 HydrophobicContact CG1-CB 3.88Å; G283-R286 PolarHBondContact O-N 3Å; A284-R286 VanDerWaalsContact C-N 3.25Å; A284-R286 PolarHBondContact O-N 2.87Å
287	I	91.2	Very high	87.6	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-98.4	-52.3	-174.9	-63.9	167.4	0	0	0	110.3	I278 R279 V282 A284 D285 C308 V311	I278-I287 HydrophobicContact CG2-CD1 3.82Å; R279-I287 VanDerWaalsContact CA-CD1 3.48Å; R279-I287 HydrophobicContact CB-CD1 4.13Å; V282-I287 HydrophobicContact CB-CD1 4.32Å; V282-I287 HydrophobicContact CG1-CG1 4.31Å; A284-I287 PolarHBondContact O-N 3.34Å; D285-I287 VanDerWaalsContact C-N 3.32Å; I287-C308 WeakPolarHBondContact O-CA 3.24Å; I287-C308 VanDerWaalsContact O-CB 3.27Å; I287-C308 WeakPolarHBondContact O-CB 3.48Å; I287-V311 HydrophobicContact CD1-CG2 4.32Å; I287-V311 HydrophobicContact CG2-CB 4.1Å; I287-V311 HydrophobicContact CG2-CG1 4.46Å; I287-V311 HydrophobicContact CG2-CG2 3.76Å
288	A	90.9	Very high	87.3	Confident	3 Å²	3	60.8 Å²	60.8	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-98	-10.3	-169	0	0	0	0	0	113.9	A284 I299	A284-A288 PolarHBondContact O-N 3.04Å; A288-I299 PolarHBondContact O-N 3.42Å
289	C	90.3	Very high	87.1	Confident	16 Å²	16	59.2 Å²	59.2	11%	0.108	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.4	-175.7	-54.2	0	0	0	0	112.9	C210 D285 Y297	C210-C289 HydrophobicContact CB-CB 3.61Å; C210-C289 WeakPolarHBondContact CB-SG 3.34Å; C210-C289 WeakPolarHBondContact SG-CB 3.25Å; C210-C289 CovalentContact SG-SG 2.01Å; C210-C289 PolarHBondContact SG-SG 3.21Å; D285-C289 WeakPolarHBondContact O-CB 3.44Å; D285-C289 PolarHBondContact O-N 3.36Å; C289-Y297 CarbonylContact C-O 3.53Å; C289-Y297 VanDerWaalsContact CA-O 3.25Å; C289-Y297 WeakPolarHBondContact CA-O 3.31Å; C289-Y297 WeakPolarHBondContact CB-O 3.42Å
290	D	89.6	Confident	87	Confident	49 Å²	49	59.9 Å²	59.9	26%	0.262	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	171	173.9	-163.9	13.5	0	0	0	110.3	Q296 Y297 I299	D290-Q296 VanDerWaalsContact O-CA 3.31Å; D290-Q296 WeakPolarHBondContact O-CA 3.47Å; D290-Y297 HydrophobicContact CB-CE1 4.18Å; D290-Y297 HydrophobicContact CB-CE2 4.36Å; D290-Y297 PolarHBondContact N-O 2.92Å; D290-Y297 PolarHBondContact O-N 3.31Å; D290-Y297 PolarHBondContact OD2-OH 2.88Å; D290-I299 HydrophobicContact CB-CD1 4.4Å; D290-I299 HydrophobicContact CB-CG1 3.81Å
291	R	87.6	Confident	86.8	Confident	168 Å²	168	59.1 Å²	59.1	63%	0.634	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.3	-178.6	-77.7	179.5	178.2	-179.1	-2.5	111	V295 Q296	R291-V295 WeakPolarHBondContact CA-O 3.46Å; R291-Q296 HydrophobicContact CG-CG 3.5Å; R291-Q296 VanDerWaalsContact NE-NE2 3.12Å; R291-Q296 VanDerWaalsContact NH2-NE2 3.17Å
292	D	82.8	Confident	86.3	Confident	23 Å²	23	50.6 Å²	50.6	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.7	170.5	-179.3	56	0	0	0	109.7	H198 G294 V295 Y297	H198-D292 IonicContact CD2-OD2 2.72Å; H198-D292 IonicContact CE1-OD2 2.74Å; H198-D292 IonicContact NE2-OD2 2.75Å; H198-D292 PolarHBondContact NE2-OD2 3.11Å; D292-G294 PolarHBondContact O-N 2.73Å; D292-V295 PolarHBondContact N-O 3.19Å; D292-V295 PolarHBondContact O-N 2.65Å; D292-Y297 HydrophobicContact CB-CD1 4.08Å; D292-Y297 HydrophobicContact CB-CE1 3.48Å; D292-Y297 VanDerWaalsContact CB-CE1 3.48Å
293	N	77.8	Confident	85.6	Confident	135 Å²	135	51.1 Å²	51.1	72%	0.722	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	33.8	178.8	-63.1	-51.5	0	0	0	115.3	V295	N293-V295 VanDerWaalsContact C-N 3.33Å
294	G	78.3	Confident	85.1	Confident	77 Å²	77	54.4 Å²	54.4	79%	0.794	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-6.4	-178.8	0	0	0	0	0	115.3	D292	D292-G294 PolarHBondContact O-N 2.73Å
295	V	83.2	Confident	85.1	Confident	48 Å²	48	54.2 Å²	54.2	29%	0.291	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	134.2	177	-177.6	0	0	0	0	110.2	H198 K209 R291 D292 N293	H198-V295 HydrophobicContact CB-CG1 4.32Å; K209-V295 HydrophobicContact CD-CG1 4.23Å; K209-V295 HydrophobicContact CG-CG1 4.15Å; R291-V295 WeakPolarHBondContact CA-O 3.46Å; D292-V295 PolarHBondContact N-O 3.19Å; D292-V295 PolarHBondContact O-N 2.65Å; N293-V295 VanDerWaalsContact C-N 3.33Å
296	Q	88.7	Confident	85.3	Confident	52 Å²	52	56.2 Å²	56.2	24%	0.243	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.6	173.1	-72.6	-179.2	-60.8	0	0	110.8	K209 C210 D290 R291	K209-Q296 WeakPolarHBondContact CA-O 3.45Å; C210-Q296 HydrophobicContact CB-CB 3.87Å; C210-Q296 PolarHBondContact N-O 2.81Å; D290-Q296 VanDerWaalsContact O-CA 3.31Å; D290-Q296 WeakPolarHBondContact O-CA 3.47Å; R291-Q296 HydrophobicContact CG-CG 3.5Å; R291-Q296 VanDerWaalsContact NE-NE2 3.12Å; R291-Q296 VanDerWaalsContact NH2-NE2 3.17Å
297	Y	88.6	Confident	85.5	Confident	6 Å²	6	48.1 Å²	48.1	2%	0.024	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	159.3	177.9	67.6	-84.8	0	0	0	111.1	V200 A207 P208 C289 D290 D292	V200-Y297 HydrophobicContact CB-CE2 4.49Å; V200-Y297 HydrophobicContact CG1-CE2 4.18Å; V200-Y297 HydrophobicContact CG2-CD1 4.13Å; V200-Y297 HydrophobicContact CG2-CD2 3.61Å; V200-Y297 HydrophobicContact CG2-CE1 4.08Å; V200-Y297 HydrophobicContact CG2-CE2 3.55Å; V200-Y297 HydrophobicContact CG2-CG 3.9Å; A207-Y297 HydrophobicContact CB-CD2 3.65Å; A207-Y297 HydrophobicContact CB-CG 4.19Å; P208-Y297 WeakPolarHBondContact O-CA 3.42Å; C289-Y297 CarbonylContact C-O 3.53Å; C289-Y297 VanDerWaalsContact CA-O 3.25Å; C289-Y297 WeakPolarHBondContact CA-O 3.31Å; C289-Y297 WeakPolarHBondContact CB-O 3.42Å; D290-Y297 HydrophobicContact CB-CE1 4.18Å; D290-Y297 HydrophobicContact CB-CE2 4.36Å; D290-Y297 PolarHBondContact N-O 2.92Å; D290-Y297 PolarHBondContact O-N 3.31Å; D290-Y297 PolarHBondContact OD2-OH 2.88Å; D292-Y297 HydrophobicContact CB-CD1 4.08Å; D292-Y297 HydrophobicContact CB-CE1 3.48Å; D292-Y297 VanDerWaalsContact CB-CE1 3.48Å
298	I	90.2	Very high	85.6	Confident	5 Å²	5	48 Å²	48	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128.7	178	-56.3	-176.6	0	0	0	109.3	P208 C210 Q300 G376 E378	P208-I298 HydrophobicContact CB-CD1 4.34Å; P208-I298 HydrophobicContact CG-CB 4.03Å; P208-I298 HydrophobicContact CG-CD1 3.95Å; P208-I298 HydrophobicContact CG-CG1 4.21Å; P208-I298 PolarHBondContact O-N 3.44Å; C210-I298 HydrophobicContact CB-CG1 4.38Å; I298-Q300 PolarHBondContact O-N 2.89Å; I298-Q300 PolarHBondContact O-NE2 3.4Å; I298-G376 VanDerWaalsContact CG2-O 3.24Å; I298-G376 WeakPolarHBondContact CG2-O 3.49Å; I298-E378 HydrophobicContact CD1-CB 3.45Å; I298-E378 VanDerWaalsContact CD1-CB 3.45Å; I298-E378 HydrophobicContact CD1-CG 3.8Å
299	I	90.1	Very high	85.8	Confident	5 Å²	5	49 Å²	49	3%	0.026	27%	0.274	C	S	.	.			trans	-58.8	121.2	-175.9	-65.1	160.3	0	0	0	110.3	A288 D290 E301 S305 C308 A375 G376	A288-I299 PolarHBondContact O-N 3.42Å; D290-I299 HydrophobicContact CB-CD1 4.4Å; D290-I299 HydrophobicContact CB-CG1 3.81Å; I299-E301 VanDerWaalsContact CG2-C 3.46Å; I299-E301 VanDerWaalsContact CG2-O 3.26Å; I299-E301 WeakPolarHBondContact CG2-O 3.47Å; I299-S305 VanDerWaalsContact CD1-CB 3.47Å; I299-C308 HydrophobicContact CD1-CB 3.88Å; I299-A375 CarbonylContact O-C 3.01Å; I299-A375 VanDerWaalsContact O-CA 3.29Å; I299-A375 WeakPolarHBondContact O-CA 3.3Å; I299-G376 PolarHBondContact O-N 2.88Å
300	Q	86.5	Confident	86	Confident	33 Å²	33	52 Å²	52	15%	0.154	29%	0.288	C	S	.	.	S	Bend	trans	-93.1	-23.3	174.4	-60.8	-55.6	-57.2	0	0	112.6	A207 I298 V374	A207-Q300 HydrophobicContact CB-CG 3.67Å; I298-Q300 PolarHBondContact O-N 2.89Å; I298-Q300 PolarHBondContact O-NE2 3.4Å; Q300-V374 CarbonylContact C-O 3.19Å; Q300-V374 VanDerWaalsContact O-O 3.13Å
301	E	83.8	Confident	86.3	Confident	47 Å²	47	49.7 Å²	49.7	22%	0.22	28%	0.276	C	S	.	.	S	Bend	trans	-127.5	102.8	176.5	-67.3	-171.2	-155.5	0	0	110.5	I299 L303 R372 V374	I299-E301 VanDerWaalsContact CG2-C 3.46Å; I299-E301 VanDerWaalsContact CG2-O 3.26Å; I299-E301 WeakPolarHBondContact CG2-O 3.47Å; E301-L303 PolarHBondContact O-N 3.05Å; E301-L303 VanDerWaalsContact O-N 3.11Å; E301-R372 WeakPolarHBondContact OE2-CD 3.45Å; E301-R372 IonicContact OE2-NH1 2.75Å; E301-R372 PolarHBondContact OE2-NH1 2.93Å; E301-V374 CarbonylContact C-O 3.13Å; E301-V374 WeakPolarHBondContact CA-O 3.37Å
302	G	77.1	Confident	86.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-64.3	-18.4	-171.6	0	0	0	0	0	115.8	E304 S305 T309 V374	G302-E304 PolarHBondContact O-N 3.48Å; G302-S305 PolarHBondContact O-N 3.38Å; G302-T309 PolarHBondContact O-OG1 3.27Å; G302-V374 PolarHBondContact N-O 2.93Å
303	L	76.7	Confident	87.3	Confident	92 Å²	92	43.7 Å²	43.7	48%	0.482	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-63.4	-24.4	-175.6	-148.1	86	0	0	0	112.7	E301 L369	E301-L303 PolarHBondContact O-N 3.05Å; E301-L303 VanDerWaalsContact O-N 3.11Å; L303-L369 HydrophobicContact CD1-CD2 4.28Å
304	E	75.4	Confident	88.3	Confident	97 Å²	97	38.5 Å²	38.5	45%	0.453	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-79.2	-22.4	-178.9	-58.2	-162.5	153.4	0	0	112.9	G302	G302-E304 PolarHBondContact O-N 3.48Å
305	S	86.1	Confident	89.2	Confident	19 Å²	19	34.9 Å²	34.9	13%	0.133	19%	0.191	C	C	.	.			trans	-113.5	117.1	179.1	174.5	0	0	0	0	111.6	I299 G302 G307 C308 T309	I299-S305 VanDerWaalsContact CD1-CB 3.47Å; G302-S305 PolarHBondContact O-N 3.38Å; S305-G307 VanDerWaalsContact C-N 3.3Å; S305-G307 PolarHBondContact O-N 3.38Å; S305-C308 PolarHBondContact O-N 3.08Å; S305-C308 PolarHBondContact OG-N 3.49Å; S305-T309 PolarHBondContact O-N 2.93Å; S305-T309 PolarHBondContact O-OG1 3.38Å
306	T	90.1	Very high	89.9	Confident	107 Å²	107	32.6 Å²	32.6	66%	0.656	18%	0.177	S	C	*	.	H	α-helix	trans	-60.5	-40.2	177.3	-47.5	0	0	0	0	111.7	T309 I310	T306-T309 PolarHBondContact O-N 3.27Å; T306-I310 HydrophobicContact CG2-CD1 3.82Å; T306-I310 HydrophobicContact CG2-CG1 4.4Å; T306-I310 WeakPolarHBondContact O-CB 3.47Å; T306-I310 VanDerWaalsContact O-CG1 3.24Å; T306-I310 WeakPolarHBondContact O-CG1 3.4Å; T306-I310 PolarHBondContact O-N 3.28Å
307	G	91.8	Very high	90.4	Very high	26 Å²	26	32.7 Å²	32.7	27%	0.268	18%	0.176	S	C	.	.	H	α-helix	trans	-63.5	-47	179.1	0	0	0	0	0	112.1	S305 I310 V311	S305-G307 VanDerWaalsContact C-N 3.3Å; S305-G307 PolarHBondContact O-N 3.38Å; G307-I310 PolarHBondContact O-N 3.03Å; G307-V311 WeakPolarHBondContact O-CG2 3.31Å; G307-V311 PolarHBondContact O-N 3.48Å; G307-V311 VanDerWaalsContact O-N 3.11Å
308	C	93.1	Very high	90.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-49	176.2	-172.2	0	0	0	0	111.7	I287 I299 S305 I310 V311 F312 C383	I287-C308 WeakPolarHBondContact O-CA 3.24Å; I287-C308 VanDerWaalsContact O-CB 3.27Å; I287-C308 WeakPolarHBondContact O-CB 3.48Å; I299-C308 HydrophobicContact CD1-CB 3.88Å; S305-C308 PolarHBondContact O-N 3.08Å; S305-C308 PolarHBondContact OG-N 3.49Å; C308-I310 PolarHBondContact O-N 3.29Å; C308-V311 PolarHBondContact O-N 3.31Å; C308-F312 WeakPolarHBondContact O-CB 3.48Å; C308-F312 PolarHBondContact O-N 2.94Å; C308-C383 WeakPolarHBondContact CA-SG 3.48Å; C308-C383 HydrophobicContact CB-CB 3.96Å; C308-C383 WeakPolarHBondContact CB-SG 3.42Å; C308-C383 VanDerWaalsContact O-CB 3.26Å; C308-C383 WeakPolarHBondContact O-CB 3.29Å; C308-C383 WeakPolarHBondContact SG-CB 3.35Å; C308-C383 CovalentContact SG-SG 2.02Å; C308-C383 PolarHBondContact SG-SG 3.11Å
309	T	93.9	Very high	91.2	Very high	23 Å²	23	35 Å²	35	14%	0.141	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-43.7	178.9	-69.6	0	0	0	0	112	G302 S305 T306 V311 F312 L313 L369	G302-T309 PolarHBondContact O-OG1 3.27Å; S305-T309 PolarHBondContact O-N 2.93Å; S305-T309 PolarHBondContact O-OG1 3.38Å; T306-T309 PolarHBondContact O-N 3.27Å; T309-V311 PolarHBondContact O-N 3.4Å; T309-F312 PolarHBondContact O-N 3.44Å; T309-L313 HydrophobicContact CG2-CD1 3.98Å; T309-L313 HydrophobicContact CG2-CG 4.21Å; T309-L313 WeakPolarHBondContact O-CB 3.36Å; T309-L313 VanDerWaalsContact O-CG 3.23Å; T309-L313 WeakPolarHBondContact O-CG 3.28Å; T309-L313 PolarHBondContact O-N 3.26Å; T309-L369 HydrophobicContact CG2-CD2 4.2Å
310	I	94.8	Very high	91.6	Very high	79 Å²	79	34.8 Å²	34.8	41%	0.405	19%	0.188	S	C	.	.	H	α-helix	trans	-61.2	-46.8	178.8	-72	167.9	0	0	0	111.2	T306 G307 C308 L313 I314	T306-I310 HydrophobicContact CG2-CD1 3.82Å; T306-I310 HydrophobicContact CG2-CG1 4.4Å; T306-I310 WeakPolarHBondContact O-CB 3.47Å; T306-I310 VanDerWaalsContact O-CG1 3.24Å; T306-I310 WeakPolarHBondContact O-CG1 3.4Å; T306-I310 PolarHBondContact O-N 3.28Å; G307-I310 PolarHBondContact O-N 3.03Å; C308-I310 PolarHBondContact O-N 3.29Å; I310-L313 PolarHBondContact O-N 2.99Å; I310-I314 HydrophobicContact CG2-CD1 3.88Å; I310-I314 WeakPolarHBondContact O-CG1 3.27Å; I310-I314 PolarHBondContact O-N 3.39Å
311	V	95.7	Very high	92.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-42.5	179.5	172	0	0	0	0	110.8	I278 I287 G307 C308 T309 L313 I314 L315 V382	I278-V311 HydrophobicContact CB-CG2 4.31Å; I278-V311 HydrophobicContact CD1-CG2 4.42Å; I278-V311 HydrophobicContact CG2-CG2 3.91Å; I287-V311 HydrophobicContact CD1-CG2 4.32Å; I287-V311 HydrophobicContact CG2-CB 4.1Å; I287-V311 HydrophobicContact CG2-CG1 4.46Å; I287-V311 HydrophobicContact CG2-CG2 3.76Å; G307-V311 WeakPolarHBondContact O-CG2 3.31Å; G307-V311 PolarHBondContact O-N 3.48Å; G307-V311 VanDerWaalsContact O-N 3.11Å; C308-V311 PolarHBondContact O-N 3.31Å; T309-V311 PolarHBondContact O-N 3.4Å; V311-L313 PolarHBondContact O-N 3.33Å; V311-I314 PolarHBondContact O-N 3.11Å; V311-L315 HydrophobicContact CG1-CD1 3.72Å; V311-L315 HydrophobicContact CG1-CG 4.24Å; V311-L315 WeakPolarHBondContact O-CB 3.37Å; V311-L315 WeakPolarHBondContact O-CG 3.49Å; V311-L315 PolarHBondContact O-N 2.73Å; V311-V382 HydrophobicContact CG1-CB 3.79Å; V311-V382 HydrophobicContact CG1-CG1 4.03Å
312	F	96.1	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.3	-48.9	172.8	158.5	-100.9	0	0	0	112	C308 T309 I314 L315 Y316 T365 I368 L369 V374 C383 V385	C308-F312 WeakPolarHBondContact O-CB 3.48Å; C308-F312 PolarHBondContact O-N 2.94Å; T309-F312 PolarHBondContact O-N 3.44Å; F312-I314 VanDerWaalsContact C-N 3.31Å; F312-I314 PolarHBondContact O-N 3.15Å; F312-L315 PolarHBondContact O-N 3.22Å; F312-Y316 HydrophobicContact CE2-CD1 4.29Å; F312-Y316 HydrophobicContact CE2-CD2 4.21Å; F312-Y316 AromaticContact CE2-CG 3.76Å; F312-Y316 HydrophobicContact CE2-CG 3.76Å; F312-Y316 HydrophobicContact CZ-CD1 4.25Å; F312-Y316 HydrophobicContact CZ-CG 4.17Å; F312-Y316 WeakPolarHBondContact O-CB 3.49Å; F312-Y316 PolarHBondContact O-N 2.89Å; F312-T365 HydrophobicContact CE1-CG2 4Å; F312-T365 HydrophobicContact CZ-CG2 4.29Å; F312-I368 HydrophobicContact CE1-CG2 4.31Å; F312-I368 HydrophobicContact CE2-CD1 4.45Å; F312-I368 HydrophobicContact CE2-CG2 3.8Å; F312-I368 HydrophobicContact CZ-CB 3.95Å; F312-I368 HydrophobicContact CZ-CD1 4.26Å; F312-I368 HydrophobicContact CZ-CG2 3.44Å; F312-I368 VanDerWaalsContact CZ-CG2 3.44Å; F312-L369 HydrophobicContact CD1-CD2 4.02Å; F312-L369 HydrophobicContact CE1-CD2 3.69Å; F312-L369 HydrophobicContact CE1-CG 3.97Å; F312-V374 HydrophobicContact CB-CG1 3.61Å; F312-V374 HydrophobicContact CD1-CG1 4.21Å; F312-V374 HydrophobicContact CD1-CG2 3.66Å; F312-V374 HydrophobicContact CD2-CB 4.5Å; F312-V374 HydrophobicContact CD2-CG1 3.97Å; F312-V374 HydrophobicContact CD2-CG2 3.82Å; F312-V374 HydrophobicContact CE1-CG2 3.71Å; F312-V374 HydrophobicContact CE2-CG2 3.86Å; F312-V374 HydrophobicContact CG-CB 4.35Å; F312-V374 HydrophobicContact CG-CG1 3.63Å; F312-V374 HydrophobicContact CG-CG2 3.72Å; F312-V374 HydrophobicContact CZ-CG2 3.82Å; F312-C383 WeakPolarHBondContact CA-O 3.27Å; F312-C383 HydrophobicContact CB-CB 4.25Å; F312-V385 HydrophobicContact CE2-CB 4.28Å
313	L	96.7	Very high	93.7	Very high	65 Å²	65	31.8 Å²	31.8	34%	0.34	18%	0.176	S	C	.	.	H	α-helix	trans	-57	-47.2	179.4	-76.9	174.5	0	0	0	110.7	T309 I310 V311 Y317 T365 L369	T309-L313 HydrophobicContact CG2-CD1 3.98Å; T309-L313 HydrophobicContact CG2-CG 4.21Å; T309-L313 WeakPolarHBondContact O-CB 3.36Å; T309-L313 VanDerWaalsContact O-CG 3.23Å; T309-L313 WeakPolarHBondContact O-CG 3.28Å; T309-L313 PolarHBondContact O-N 3.26Å; I310-L313 PolarHBondContact O-N 2.99Å; V311-L313 PolarHBondContact O-N 3.33Å; L313-Y317 WeakPolarHBondContact O-CB 3.44Å; L313-Y317 PolarHBondContact O-N 3.04Å; L313-T365 HydrophobicContact CD2-CG2 3.33Å; L313-L369 HydrophobicContact CD2-CD1 4.05Å
314	I	97.6	Very high	94.7	Very high	27 Å²	27	28.1 Å²	28.1	14%	0.138	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-52.4	179.3	-70	167.2	0	0	0	111	V271 I278 I310 V311 F312 F318	V271-I314 HydrophobicContact CG1-CG2 4.13Å; V271-I314 WeakPolarHBondContact O-CG2 3.34Å; I278-I314 HydrophobicContact CD1-CD1 3.56Å; I310-I314 HydrophobicContact CG2-CD1 3.88Å; I310-I314 WeakPolarHBondContact O-CG1 3.27Å; I310-I314 PolarHBondContact O-N 3.39Å; V311-I314 PolarHBondContact O-N 3.11Å; F312-I314 VanDerWaalsContact C-N 3.31Å; F312-I314 PolarHBondContact O-N 3.15Å; I314-F318 WeakPolarHBondContact O-CB 3.02Å; I314-F318 WeakPolarHBondContact O-CD2 3.29Å; I314-F318 PolarHBondContact O-N 3.03Å
315	L	97.2	Very high	95.8	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-67.2	-50.3	-175.2	-67.1	177.4	0	0	0	111.2	Y272 Y276 V311 F312 G319 V382 Y384	Y272-L315 HydrophobicContact CD2-CB 4.41Å; Y272-L315 HydrophobicContact CD2-CD2 3.93Å; Y272-L315 WeakPolarHBondContact CD2-O 3.46Å; Y272-L315 HydrophobicContact CE2-CB 4.01Å; Y272-L315 HydrophobicContact CE2-CD2 3.75Å; Y272-L315 WeakPolarHBondContact CE2-O 3.07Å; Y272-L315 HydrophobicContact CG-CD2 4.39Å; Y272-L315 WeakPolarHBondContact O-CD2 3.35Å; Y276-L315 HydrophobicContact CD2-CD2 3.75Å; Y276-L315 HydrophobicContact CE1-CD1 4.46Å; Y276-L315 HydrophobicContact CE2-CD2 3.6Å; Y276-L315 HydrophobicContact CG-CD2 4.32Å; V311-L315 HydrophobicContact CG1-CD1 3.72Å; V311-L315 HydrophobicContact CG1-CG 4.24Å; V311-L315 WeakPolarHBondContact O-CB 3.37Å; V311-L315 WeakPolarHBondContact O-CG 3.49Å; V311-L315 PolarHBondContact O-N 2.73Å; F312-L315 PolarHBondContact O-N 3.22Å; L315-G319 PolarHBondContact O-N 2.81Å; L315-V382 HydrophobicContact CD1-CB 3.93Å; L315-V382 HydrophobicContact CD1-CG1 4.33Å; L315-V382 HydrophobicContact CD1-CG2 3.9Å; L315-Y384 HydrophobicContact CB-CD2 4.13Å; L315-Y384 HydrophobicContact CB-CE2 4.25Å
316	Y	97.9	Very high	96.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-70.5	-49	-174.3	-173.2	-93.4	0	0	0	112.5	F312 M320 K364 T365 I368 Y384 V385 F396 V397	F312-Y316 HydrophobicContact CE2-CD1 4.29Å; F312-Y316 HydrophobicContact CE2-CD2 4.21Å; F312-Y316 AromaticContact CE2-CG 3.76Å; F312-Y316 HydrophobicContact CE2-CG 3.76Å; F312-Y316 HydrophobicContact CZ-CD1 4.25Å; F312-Y316 HydrophobicContact CZ-CG 4.17Å; F312-Y316 WeakPolarHBondContact O-CB 3.49Å; F312-Y316 PolarHBondContact O-N 2.89Å; Y316-M320 HydrophobicContact CD1-CG 4.3Å; Y316-M320 HydrophobicContact CD2-CE 4.14Å; Y316-M320 HydrophobicContact CD2-CG 4.48Å; Y316-M320 HydrophobicContact CE1-CG 3.91Å; Y316-M320 HydrophobicContact CE2-CE 3.42Å; Y316-M320 VanDerWaalsContact CE2-CE 3.42Å; Y316-M320 HydrophobicContact CE2-CG 4.13Å; Y316-M320 WeakPolarHBondContact O-CB 3.31Å; Y316-M320 VanDerWaalsContact O-CG 3.23Å; Y316-M320 WeakPolarHBondContact O-CG 3.36Å; Y316-M320 PolarHBondContact O-N 2.92Å; Y316-K364 HydrophobicContact CE1-CB 3.96Å; Y316-K364 WeakPolarHBondContact OH-CE 3.34Å; Y316-K364 PolarHBondContact OH-NZ 3.3Å; Y316-T365 WeakPolarHBondContact CD1-OG1 3.41Å; Y316-I368 HydrophobicContact CD1-CD1 3.97Å; Y316-I368 HydrophobicContact CD2-CD1 4.17Å; Y316-I368 HydrophobicContact CE1-CD1 3.38Å; Y316-I368 HydrophobicContact CE2-CD1 3.58Å; Y316-I368 HydrophobicContact CG-CD1 4.33Å; Y316-I368 WeakPolarHBondContact OH-CD1 3.42Å; Y316-Y384 HydrophobicContact CD2-CE2 4.07Å; Y316-V385 HydrophobicContact CD2-CG1 3.64Å; Y316-V385 HydrophobicContact CE2-CG1 3.59Å; Y316-F396 PolarHBondContact OH-O 3.47Å; Y316-V397 HydrophobicContact CE2-CG2 4.13Å
317	Y	98.4	Very high	96.7	Very high	54 Å²	54	18.4 Å²	18.4	21%	0.212	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-52.8	-176.6	-176.9	-89.2	0	0	0	111.2	L313 M320 A321 W358 P361 A362	L313-Y317 WeakPolarHBondContact O-CB 3.44Å; L313-Y317 PolarHBondContact O-N 3.04Å; Y317-M320 PolarHBondContact O-N 3.41Å; Y317-A321 WeakPolarHBondContact O-CB 3.37Å; Y317-A321 PolarHBondContact O-N 2.01Å; Y317-W358 AromaticContact CE1-CE3 3.88Å; Y317-W358 HydrophobicContact CE1-CE3 3.88Å; Y317-W358 HydrophobicContact CE1-CZ3 4.12Å; Y317-W358 PolarHBondContact OH-O 2.9Å; Y317-W358 VanDerWaalsContact OH-O 3.1Å; Y317-P361 HydrophobicContact CD2-CB 3.91Å; Y317-P361 HydrophobicContact CE2-CB 3.97Å; Y317-P361 HydrophobicContact CG-CB 4.38Å; Y317-A362 HydrophobicContact CE2-CB 3.87Å
318	F	98.3	Very high	97	Very high	46 Å²	46	17.8 Å²	17.8	20%	0.202	9%	0.093	C	C	.	.	H	α-helix	trans	-75.1	-27.7	-175.7	-68.5	-77.7	0	0	0	112.8	V271 I314 S322	V271-F318 HydrophobicContact CB-CD1 4.15Å; V271-F318 HydrophobicContact CB-CD2 3.96Å; V271-F318 HydrophobicContact CB-CE1 4.18Å; V271-F318 HydrophobicContact CB-CE2 4.02Å; V271-F318 HydrophobicContact CB-CG 4.03Å; V271-F318 HydrophobicContact CB-CZ 4.12Å; V271-F318 HydrophobicContact CG1-CD2 3.56Å; V271-F318 HydrophobicContact CG1-CE1 4.33Å; V271-F318 HydrophobicContact CG1-CE2 3.35Å; V271-F318 HydrophobicContact CG1-CG 4.16Å; V271-F318 HydrophobicContact CG1-CZ 3.77Å; V271-F318 HydrophobicContact CG2-CE1 4.26Å; V271-F318 HydrophobicContact CG2-CZ 4.29Å; I314-F318 WeakPolarHBondContact O-CB 3.02Å; I314-F318 WeakPolarHBondContact O-CD2 3.29Å; I314-F318 PolarHBondContact O-N 3.03Å; F318-S322 WeakPolarHBondContact O-CB 3.3Å; F318-S322 PolarHBondContact O-N 3.1Å; F318-S322 PolarHBondContact O-OG 2.87Å
319	G	97.7	Very high	97.1	Very high	13 Å²	13	17.8 Å²	17.8	13%	0.134	9%	0.093	C	C	.	.	H	α-helix	trans	-68.3	-37.2	171.2	0	0	0	0	0	113.2	L315 S322 S323	L315-G319 PolarHBondContact O-N 2.81Å; G319-S322 PolarHBondContact O-OG 2.62Å; G319-S323 PolarHBondContact O-N 3.34Å; G319-S323 PolarHBondContact O-OG 3.34Å
320	M	98.1	Very high	97.2	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-73.5	-40.5	174.3	-68.5	-63.3	165.9	0	0	111.6	Y316 Y317 S323 L324 P361 K364 F396 V397 L401 Y404	Y316-M320 HydrophobicContact CD1-CG 4.3Å; Y316-M320 HydrophobicContact CD2-CE 4.14Å; Y316-M320 HydrophobicContact CD2-CG 4.48Å; Y316-M320 HydrophobicContact CE1-CG 3.91Å; Y316-M320 HydrophobicContact CE2-CE 3.42Å; Y316-M320 VanDerWaalsContact CE2-CE 3.42Å; Y316-M320 HydrophobicContact CE2-CG 4.13Å; Y316-M320 WeakPolarHBondContact O-CB 3.31Å; Y316-M320 VanDerWaalsContact O-CG 3.23Å; Y316-M320 WeakPolarHBondContact O-CG 3.36Å; Y316-M320 PolarHBondContact O-N 2.92Å; Y317-M320 PolarHBondContact O-N 3.41Å; M320-S323 PolarHBondContact O-N 3.26Å; M320-L324 PolarHBondContact O-N 2.75Å; M320-L324 VanDerWaalsContact O-N 3.12Å; M320-P361 HydrophobicContact CB-CB 3.93Å; M320-P361 HydrophobicContact CB-CG 4Å; M320-K364 PolarHBondContact SD-NZ 3.46Å; M320-F396 WeakPolarHBondContact CE-O 3.25Å; M320-V397 HydrophobicContact CE-CB 4.41Å; M320-V397 HydrophobicContact CE-CG1 4.31Å; M320-V397 HydrophobicContact CE-CG2 4.31Å; M320-L401 HydrophobicContact CE-CG 4.44Å; M320-L401 HydrophobicContact SD-CD2 4.24Å; M320-Y404 HydrophobicContact SD-CE2 4.3Å
321	A	98.3	Very high	97.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.6	-43.1	175.8	0	0	0	0	0	111.9	Y317 S323 L324 W325 W358 P361	Y317-A321 WeakPolarHBondContact O-CB 3.37Å; Y317-A321 PolarHBondContact O-N 2.01Å; A321-S323 VanDerWaalsContact C-N 3.3Å; A321-S323 PolarHBondContact O-N 2.91Å; A321-L324 PolarHBondContact O-N 3.32Å; A321-W325 PolarHBondContact O-N 3Å; A321-W358 HydrophobicContact CB-CE3 3.86Å; A321-W358 HydrophobicContact CB-CH2 4.49Å; A321-W358 HydrophobicContact CB-CZ3 3.53Å; A321-P361 HydrophobicContact CB-CG 4.01Å
322	S	97.2	Very high	97.2	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.007	8%	0.077	C	C	.	.	H	α-helix	trans	-61.5	-39.9	177.7	67.4	0	0	0	0	112.1	F318 G319 L324 W325 W326	F318-S322 WeakPolarHBondContact O-CB 3.3Å; F318-S322 PolarHBondContact O-N 3.1Å; F318-S322 PolarHBondContact O-OG 2.87Å; G319-S322 PolarHBondContact O-OG 2.62Å; S322-L324 PolarHBondContact O-N 2.99Å; S322-W325 PolarHBondContact O-N 3.01Å; S322-W326 PolarHBondContact O-N 2.84Å
323	S	97.4	Very high	97.1	Very high	15 Å²	15	14.9 Å²	14.9	11%	0.105	8%	0.077	C	C	.	.	H	α-helix	trans	-63.6	-40.1	176.4	-59	0	0	0	0	112.1	G319 M320 A321 W326 V327 L401	G319-S323 PolarHBondContact O-N 3.34Å; G319-S323 PolarHBondContact O-OG 3.34Å; M320-S323 PolarHBondContact O-N 3.26Å; A321-S323 VanDerWaalsContact C-N 3.3Å; A321-S323 PolarHBondContact O-N 2.91Å; S323-W326 WeakPolarHBondContact O-CB 3.33Å; S323-W326 PolarHBondContact O-N 3.5Å; S323-V327 PolarHBondContact O-N 3.18Å; S323-V327 VanDerWaalsContact O-N 3.12Å; S323-L401 WeakPolarHBondContact OG-CD2 3.39Å
324	L	98.1	Very high	96.9	Very high	15 Å²	15	13.7 Å²	13.7	8%	0.079	7%	0.069	C	C	.	.	H	α-helix	trans	-69.5	-38.1	173.7	-76.4	166.7	0	0	0	112.6	M320 A321 S322 W326 V327 I328 A357 I360 P361 Y404	M320-L324 PolarHBondContact O-N 2.75Å; M320-L324 VanDerWaalsContact O-N 3.12Å; A321-L324 PolarHBondContact O-N 3.32Å; S322-L324 PolarHBondContact O-N 2.99Å; L324-W326 PolarHBondContact O-N 2.02Å; L324-V327 WeakPolarHBondContact O-CB 3.39Å; L324-V327 PolarHBondContact O-N 3.41Å; L324-V327 VanDerWaalsContact O-N 3.09Å; L324-I328 WeakPolarHBondContact O-CG1 3.32Å; L324-I328 PolarHBondContact O-N 2.84Å; L324-A357 HydrophobicContact CB-CB 4.47Å; L324-I360 HydrophobicContact CD1-CB 3.79Å; L324-I360 HydrophobicContact CD1-CD1 4.37Å; L324-I360 HydrophobicContact CD1-CG2 3.97Å; L324-I360 HydrophobicContact CD2-CD1 4.35Å; L324-P361 HydrophobicContact CD1-CG 3.7Å; L324-Y404 HydrophobicContact CD2-CD1 3.94Å; L324-Y404 HydrophobicContact CD2-CE1 3.58Å; L324-Y404 HydrophobicContact CD2-CE2 4.33Å; L324-Y404 HydrophobicContact CD2-CG 4.48Å; L324-Y404 HydrophobicContact CG-CE1 4.25Å; L324-Y404 HydrophobicContact CG-CE2 4.12Å
325	W	97.8	Very high	96.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.6	-33.6	173.6	-81.8	117.7	0	0	0	112.3	P261 F264 L265 A321 S322 I328 L329 H354 A357 W358	P261-W325 HydrophobicContact CB-CE3 4.02Å; P261-W325 HydrophobicContact CB-CZ3 4.47Å; F264-W325 HydrophobicContact CB-CD2 3.53Å; F264-W325 VanDerWaalsContact CB-CE2 3.41Å; F264-W325 HydrophobicContact CB-CE3 4.01Å; F264-W325 HydrophobicContact CB-CG 3.91Å; F264-W325 HydrophobicContact CB-CH2 4.3Å; F264-W325 HydrophobicContact CB-CZ2 3.83Å; F264-W325 HydrophobicContact CB-CZ3 4.37Å; F264-W325 HydrophobicContact CD1-CZ2 4.5Å; F264-W325 HydrophobicContact CD2-CD2 4.39Å; F264-W325 HydrophobicContact CD2-CE3 4.1Å; F264-W325 AromaticContact CD2-CH2 3.55Å; F264-W325 HydrophobicContact CD2-CH2 3.55Å; F264-W325 AromaticContact CD2-CZ2 3.84Å; F264-W325 HydrophobicContact CD2-CZ2 3.84Å; F264-W325 AromaticContact CD2-CZ3 3.67Å; F264-W325 HydrophobicContact CD2-CZ3 3.67Å; F264-W325 HydrophobicContact CE2-CH2 4.08Å; F264-W325 HydrophobicContact CE2-CZ3 4.41Å; F264-W325 HydrophobicContact CG-CD2 4.3Å; F264-W325 AromaticContact CG-CE2 3.95Å; F264-W325 HydrophobicContact CG-CE3 4.46Å; F264-W325 HydrophobicContact CG-CH2 4.03Å; F264-W325 AromaticContact CG-CZ2 3.82Å; F264-W325 HydrophobicContact CG-CZ2 3.82Å; F264-W325 HydrophobicContact CG-CZ3 4.34Å; L265-W325 HydrophobicContact CB-CB 4.16Å; A321-W325 PolarHBondContact O-N 3Å; S322-W325 PolarHBondContact O-N 3.01Å; W325-I328 HydrophobicContact CD2-CD1 4.37Å; W325-I328 HydrophobicContact CE3-CB 4.17Å; W325-I328 HydrophobicContact CE3-CD1 3.85Å; W325-I328 HydrophobicContact CE3-CG2 4.11Å; W325-I328 HydrophobicContact CH2-CD1 4.5Å; W325-I328 HydrophobicContact CZ3-CB 4.48Å; W325-I328 HydrophobicContact CZ3-CD1 3.94Å; W325-I328 HydrophobicContact CZ3-CG2 3.99Å; W325-I328 PolarHBondContact O-N 2.92Å; W325-L329 WeakPolarHBondContact O-CB 3.49Å; W325-L329 PolarHBondContact O-N 2.99Å; W325-H354 AromaticContact CH2-CE1 3.35Å; W325-H354 WeakPolarHBondContact CH2-CE1 3.5Å; W325-H354 AromaticContact CH2-CG 3.96Å; W325-H354 AromaticContact CH2-ND1 3.37Å; W325-H354 WeakPolarHBondContact CH2-ND1 3.47Å; W325-H354 AromaticContact CH2-NE2 3.92Å; W325-H354 AromaticContact CZ2-CE1 3.64Å; W325-H354 AromaticContact CZ2-ND1 3.43Å; W325-H354 WeakPolarHBondContact CZ2-ND1 3.06Å; W325-A357 HydrophobicContact CD2-CB 3.99Å; W325-A357 VanDerWaalsContact CE2-CB 3.48Å; W325-A357 HydrophobicContact CG-CB 4.41Å; W325-A357 HydrophobicContact CH2-CB 4.25Å; W325-A357 HydrophobicContact CZ2-CB 3.64Å; W325-W358 AromaticContact CE2-CZ2 3.83Å; W325-W358 AromaticContact CZ2-CE2 3.87Å; W325-W358 AromaticContact CZ2-CZ2 3.9Å; W325-W358 HydrophobicContact CZ2-CZ2 3.9Å; W325-W358 AromaticContact CZ2-NE1 3.8Å; W325-W358 AromaticContact NE1-CE2 3.68Å; W325-W358 AromaticContact NE1-CH2 3.34Å; W325-W358 VanDerWaalsContact NE1-CH2 3.34Å; W325-W358 AromaticContact NE1-CZ2 3.21Å; W325-W358 AromaticContact NE1-CZ3 3.92Å
326	W	97.4	Very high	96.3	Very high	3 Å²	3	14 Å²	14	1%	0.011	7%	0.073	C	C	.	.	H	α-helix	trans	-65.3	-44.1	169.4	174.9	80.6	0	0	0	112	L265 S322 S323 L324 I328 L329 T330 Y404 L405 T409 L412 S447 Y450 T451	L265-W326 HydrophobicContact CD1-CB 4.05Å; S322-W326 PolarHBondContact O-N 2.84Å; S323-W326 WeakPolarHBondContact O-CB 3.33Å; S323-W326 PolarHBondContact O-N 3.5Å; L324-W326 PolarHBondContact O-N 2.02Å; W326-I328 VanDerWaalsContact C-N 3.3Å; W326-I328 PolarHBondContact O-N 2.89Å; W326-L329 VanDerWaalsContact O-CB 3.32Å; W326-L329 WeakPolarHBondContact O-CB 3.44Å; W326-L329 PolarHBondContact O-N 3.04Å; W326-L329 VanDerWaalsContact O-N 3.11Å; W326-T330 HydrophobicContact CD2-CG2 4.18Å; W326-T330 HydrophobicContact CH2-CG2 4.26Å; W326-T330 HydrophobicContact CZ2-CG2 3.72Å; W326-T330 WeakPolarHBondContact O-CG2 3.28Å; W326-T330 PolarHBondContact O-N 3.38Å; W326-Y404 WeakPolarHBondContact CZ3-O 3.38Å; W326-L405 HydrophobicContact CH2-CD1 3.98Å; W326-L405 HydrophobicContact CZ3-CD1 4.38Å; W326-T409 HydrophobicContact CH2-CG2 4.22Å; W326-L412 HydrophobicContact CZ2-CD1 3.91Å; W326-S447 PolarHBondContact NE1-O 3.23Å; W326-Y450 HydrophobicContact CB-CD1 4.19Å; W326-Y450 HydrophobicContact CB-CD2 4.34Å; W326-Y450 HydrophobicContact CB-CE1 3.83Å; W326-Y450 HydrophobicContact CB-CE2 3.93Å; W326-Y450 HydrophobicContact CB-CG 4.48Å; W326-Y450 AromaticContact CD1-CD1 3.22Å; W326-Y450 AromaticContact CD1-CD2 3.61Å; W326-Y450 AromaticContact CD1-CE1 3.79Å; W326-Y450 AromaticContact CD1-CG 3.17Å; W326-Y450 AromaticContact CD2-CD1 3.59Å; W326-Y450 HydrophobicContact CD2-CD1 3.59Å; W326-Y450 AromaticContact CD2-CE1 3.71Å; W326-Y450 HydrophobicContact CD2-CE1 3.71Å; W326-Y450 HydrophobicContact CD2-CG 4.35Å; W326-Y450 AromaticContact CE2-CD1 3.55Å; W326-Y450 HydrophobicContact CE3-CD1 4.46Å; W326-Y450 HydrophobicContact CE3-CE1 4.28Å; W326-Y450 AromaticContact CG-CD1 3.39Å; W326-Y450 HydrophobicContact CG-CD1 3.39Å; W326-Y450 HydrophobicContact CG-CD2 4.08Å; W326-Y450 AromaticContact CG-CE1 3.47Å; W326-Y450 HydrophobicContact CG-CE1 3.47Å; W326-Y450 VanDerWaalsContact CG-CE1 3.47Å; W326-Y450 HydrophobicContact CG-CE2 4.08Å; W326-Y450 AromaticContact CG-CG 3.77Å; W326-Y450 HydrophobicContact CG-CG 3.77Å; W326-Y450 AromaticContact CG-CZ 3.85Å; W326-Y450 HydrophobicContact CZ2-CD1 4.38Å; W326-Y450 AromaticContact NE1-CD1 3.3Å; W326-Y450 VanDerWaalsContact NE1-CD1 3.3Å; W326-Y450 AromaticContact NE1-CG 3.44Å; W326-T451 HydrophobicContact CH2-CG2 4.28Å; W326-T451 HydrophobicContact CZ2-CG2 3.63Å
327	V	97.9	Very high	95.7	Very high	17 Å²	17	14 Å²	14	10%	0.103	7%	0.074	C	C	.	.	H	α-helix	trans	-58.3	-44.3	173.9	176.7	0	0	0	0	111	S323 L324 L329 T330 L331 Y404 I407 F411	S323-V327 PolarHBondContact O-N 3.18Å; S323-V327 VanDerWaalsContact O-N 3.12Å; L324-V327 WeakPolarHBondContact O-CB 3.39Å; L324-V327 PolarHBondContact O-N 3.41Å; L324-V327 VanDerWaalsContact O-N 3.09Å; V327-L329 VanDerWaalsContact C-N 3.32Å; V327-L329 PolarHBondContact O-N 2.69Å; V327-T330 PolarHBondContact O-N 3.49Å; V327-T330 PolarHBondContact O-OG1 3.32Å; V327-L331 WeakPolarHBondContact O-CB 3Å; V327-L331 PolarHBondContact O-N 2.87Å; V327-Y404 HydrophobicContact CG2-CG 4.47Å; V327-Y404 WeakPolarHBondContact CG2-O 3.04Å; V327-I407 HydrophobicContact CG1-CG2 3.8Å; V327-F411 HydrophobicContact CG1-CE2 4.45Å
328	I	97.3	Very high	95	Very high	12 Å²	12	12.6 Å²	12.6	6%	0.062	8%	0.075	C	C	.	.	H	α-helix	trans	-63.7	-37.8	176.4	-68	161.1	0	0	0	111.4	P261 L324 W325 W326 L331 T332 F353 A357	P261-I328 HydrophobicContact CB-CG2 4.42Å; P261-I328 HydrophobicContact CG-CG2 4.03Å; L324-I328 WeakPolarHBondContact O-CG1 3.32Å; L324-I328 PolarHBondContact O-N 2.84Å; W325-I328 HydrophobicContact CD2-CD1 4.37Å; W325-I328 HydrophobicContact CE3-CB 4.17Å; W325-I328 HydrophobicContact CE3-CD1 3.85Å; W325-I328 HydrophobicContact CE3-CG2 4.11Å; W325-I328 HydrophobicContact CH2-CD1 4.5Å; W325-I328 HydrophobicContact CZ3-CB 4.48Å; W325-I328 HydrophobicContact CZ3-CD1 3.94Å; W325-I328 HydrophobicContact CZ3-CG2 3.99Å; W325-I328 PolarHBondContact O-N 2.92Å; W326-I328 VanDerWaalsContact C-N 3.3Å; W326-I328 PolarHBondContact O-N 2.89Å; I328-L331 PolarHBondContact O-N 2.89Å; I328-T332 HydrophobicContact CG2-CG2 4.1Å; I328-T332 WeakPolarHBondContact O-CB 3.39Å; I328-T332 VanDerWaalsContact O-CG2 3.31Å; I328-T332 WeakPolarHBondContact O-CG2 3.14Å; I328-T332 PolarHBondContact O-N 3.41Å; I328-T332 PolarHBondContact O-OG1 3.26Å; I328-F353 HydrophobicContact CD1-CB 4.09Å; I328-F353 WeakPolarHBondContact CD1-O 3.39Å; I328-F353 HydrophobicContact CG1-CB 4.45Å; I328-F353 HydrophobicContact CG2-CB 3.99Å; I328-F353 HydrophobicContact CG2-CD1 4.46Å; I328-F353 HydrophobicContact CG2-CD2 4.39Å; I328-F353 HydrophobicContact CG2-CG 4.04Å; I328-A357 HydrophobicContact CD1-CB 3.68Å
329	L	95.3	Very high	94.4	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-59.2	-48.2	173.2	178.8	63.9	0	0	0	110.8	P261 I262 W325 W326 V327 L331 T332 W333 I443 F446	P261-L329 HydrophobicContact CB-CB 3.98Å; P261-L329 HydrophobicContact CB-CD1 4.21Å; I262-L329 HydrophobicContact CD1-CD1 4.27Å; I262-L329 HydrophobicContact CG1-CD1 3.79Å; I262-L329 HydrophobicContact CG1-CD2 3.91Å; W325-L329 WeakPolarHBondContact O-CB 3.49Å; W325-L329 PolarHBondContact O-N 2.99Å; W326-L329 VanDerWaalsContact O-CB 3.32Å; W326-L329 WeakPolarHBondContact O-CB 3.44Å; W326-L329 PolarHBondContact O-N 3.04Å; W326-L329 VanDerWaalsContact O-N 3.11Å; V327-L329 VanDerWaalsContact C-N 3.32Å; V327-L329 PolarHBondContact O-N 2.69Å; L329-L331 PolarHBondContact O-N 3.5Å; L329-T332 PolarHBondContact O-N 2.86Å; L329-T332 PolarHBondContact O-OG1 3.07Å; L329-T332 VanDerWaalsContact O-OG1 3.11Å; L329-W333 WeakPolarHBondContact O-CB 3.31Å; L329-W333 PolarHBondContact O-N 3.48Å; L329-I443 HydrophobicContact CD1-CG2 3.97Å; L329-F446 HydrophobicContact CD2-CD1 4.03Å; L329-F446 HydrophobicContact CD2-CE1 4.09Å
330	T	96	Very high	93.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.7	-38.3	178	64.2	0	0	0	0	112.7	W326 V327 F334 G408 L412	W326-T330 HydrophobicContact CD2-CG2 4.18Å; W326-T330 HydrophobicContact CH2-CG2 4.26Å; W326-T330 HydrophobicContact CZ2-CG2 3.72Å; W326-T330 WeakPolarHBondContact O-CG2 3.28Å; W326-T330 PolarHBondContact O-N 3.38Å; V327-T330 PolarHBondContact O-N 3.49Å; V327-T330 PolarHBondContact O-OG1 3.32Å; T330-F334 WeakPolarHBondContact O-CB 3.25Å; T330-F334 PolarHBondContact O-N 2.86Å; T330-G408 WeakPolarHBondContact CB-O 3.48Å; T330-G408 VanDerWaalsContact OG1-CA 3.24Å; T330-G408 WeakPolarHBondContact OG1-CA 3.34Å; T330-G408 PolarHBondContact OG1-O 2.99Å; T330-L412 HydrophobicContact CG2-CD1 3.86Å; T330-L412 HydrophobicContact CG2-CD2 3.9Å; T330-L412 HydrophobicContact CG2-CG 3.62Å
331	L	95.9	Very high	93.4	Very high	41 Å²	41	28.3 Å²	28.3	22%	0.215	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-52.1	175.9	172.6	61.5	0	0	0	111.5	V327 I328 L329 W333 F334 L335 F353 F411	V327-L331 WeakPolarHBondContact O-CB 3Å; V327-L331 PolarHBondContact O-N 2.87Å; I328-L331 PolarHBondContact O-N 2.89Å; L329-L331 PolarHBondContact O-N 3.5Å; L331-W333 VanDerWaalsContact C-N 3.26Å; L331-W333 PolarHBondContact O-N 3.34Å; L331-F334 WeakPolarHBondContact O-CB 3.33Å; L331-F334 PolarHBondContact O-N 3.36Å; L331-F334 VanDerWaalsContact O-N 3.12Å; L331-L335 HydrophobicContact CD1-CD1 4.12Å; L331-L335 HydrophobicContact CD1-CG 4.13Å; L331-L335 HydrophobicContact CG-CD1 4.11Å; L331-L335 WeakPolarHBondContact O-CG 3.23Å; L331-L335 PolarHBondContact O-N 3.1Å; L331-F353 HydrophobicContact CD2-CE1 4.05Å; L331-F411 HydrophobicContact CB-CD2 3.99Å; L331-F411 HydrophobicContact CB-CE2 4.02Å; L331-F411 HydrophobicContact CD1-CD1 4.29Å; L331-F411 HydrophobicContact CD1-CD2 4.44Å; L331-F411 HydrophobicContact CD1-CE1 3.91Å; L331-F411 HydrophobicContact CD1-CE2 4.05Å; L331-F411 HydrophobicContact CD1-CZ 3.78Å; L331-F411 HydrophobicContact CG-CE2 4.5Å
332	T	94.6	Very high	92.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-33.7	-179.8	53.5	0	0	0	0	111.7	Y257 I328 L329 L335 A336 I346 F353	Y257-T332 HydrophobicContact CD1-CG2 4.3Å; I328-T332 HydrophobicContact CG2-CG2 4.1Å; I328-T332 WeakPolarHBondContact O-CB 3.39Å; I328-T332 VanDerWaalsContact O-CG2 3.31Å; I328-T332 WeakPolarHBondContact O-CG2 3.14Å; I328-T332 PolarHBondContact O-N 3.41Å; I328-T332 PolarHBondContact O-OG1 3.26Å; L329-T332 PolarHBondContact O-N 2.86Å; L329-T332 PolarHBondContact O-OG1 3.07Å; L329-T332 VanDerWaalsContact O-OG1 3.11Å; T332-L335 PolarHBondContact O-N 2.77Å; T332-A336 WeakPolarHBondContact O-CB 3.23Å; T332-A336 PolarHBondContact O-N 2.9Å; T332-I346 HydrophobicContact CG2-CG2 3.67Å; T332-F353 HydrophobicContact CG2-CD2 4.36Å; T332-F353 HydrophobicContact CG2-CE2 3.93Å; T332-F353 HydrophobicContact CG2-CZ 4.22Å
333	W	93.6	Very high	92.5	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-45.9	170	179.2	80.9	0	0	0	112.3	L329 L331 L335 A336 A337 L412 G415 F416 L419 M440 I443	L329-W333 WeakPolarHBondContact O-CB 3.31Å; L329-W333 PolarHBondContact O-N 3.48Å; L331-W333 VanDerWaalsContact C-N 3.26Å; L331-W333 PolarHBondContact O-N 3.34Å; W333-L335 PolarHBondContact O-N 3.05Å; W333-A336 PolarHBondContact O-N 3.26Å; W333-A337 WeakPolarHBondContact O-CB 3.11Å; W333-A337 PolarHBondContact O-N 3.39Å; W333-L412 HydrophobicContact CE3-CD2 3.94Å; W333-L412 HydrophobicContact CZ3-CD2 3.95Å; W333-L412 VanDerWaalsContact CZ3-O 3.31Å; W333-L412 WeakPolarHBondContact CZ3-O 3.26Å; W333-G415 VanDerWaalsContact CH2-C 3.42Å; W333-F416 HydrophobicContact CH2-CB 4.48Å; W333-F416 HydrophobicContact CH2-CD1 4.32Å; W333-F416 AromaticContact CH2-CD2 3.84Å; W333-F416 HydrophobicContact CH2-CD2 3.84Å; W333-F416 HydrophobicContact CH2-CE2 4.04Å; W333-F416 AromaticContact CH2-CG 3.96Å; W333-F416 HydrophobicContact CH2-CG 3.96Å; W333-F416 HydrophobicContact CH2-CZ 4.38Å; W333-F416 HydrophobicContact CZ3-CD2 4.48Å; W333-L419 HydrophobicContact CH2-CD1 3.98Å; W333-L419 HydrophobicContact CZ2-CD1 3.35Å; W333-L419 HydrophobicContact CZ2-CG 4.41Å; W333-M440 PolarHBondContact NE1-O 2.95Å; W333-I443 HydrophobicContact CB-CG2 4.23Å; W333-I443 HydrophobicContact CG-CG2 4.13Å
334	F	93.4	Very high	92.2	Very high	39 Å²	39	39.3 Å²	39.3	17%	0.171	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-40.7	174.5	165.6	-107.3	0	0	0	112.4	T330 L331 A337 G338 K339 F411	T330-F334 WeakPolarHBondContact O-CB 3.25Å; T330-F334 PolarHBondContact O-N 2.86Å; L331-F334 WeakPolarHBondContact O-CB 3.33Å; L331-F334 PolarHBondContact O-N 3.36Å; L331-F334 VanDerWaalsContact O-N 3.12Å; F334-A337 PolarHBondContact O-N 3.24Å; F334-G338 WeakPolarHBondContact O-CA 2.95Å; F334-G338 PolarHBondContact O-N 3.18Å; F334-K339 HydrophobicContact CE1-CG 4.46Å; F334-F411 HydrophobicContact CB-CB 4.18Å; F334-F411 HydrophobicContact CD1-CD1 4.09Å; F334-F411 HydrophobicContact CG-CD1 4.41Å
335	L	92.3	Very high	91.9	Very high	21 Å²	21	40.7 Å²	40.7	11%	0.11	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-42.7	177.3	-68.5	172.8	0	0	0	111.5	L331 T332 W333 K339 K340 W341	L331-L335 HydrophobicContact CD1-CD1 4.12Å; L331-L335 HydrophobicContact CD1-CG 4.13Å; L331-L335 HydrophobicContact CG-CD1 4.11Å; L331-L335 WeakPolarHBondContact O-CG 3.23Å; L331-L335 PolarHBondContact O-N 3.1Å; T332-L335 PolarHBondContact O-N 2.77Å; W333-L335 PolarHBondContact O-N 3.05Å; L335-K339 HydrophobicContact CD2-CB 4.44Å; L335-K339 HydrophobicContact CD2-CG 4.14Å; L335-K339 CarbonylContact O-C 3.56Å; L335-K339 WeakPolarHBondContact O-CA 3.45Å; L335-K339 WeakPolarHBondContact O-CB 3.47Å; L335-K339 PolarHBondContact O-N 2.75Å; L335-K340 PolarHBondContact O-N 3.07Å; L335-K340 VanDerWaalsContact O-N 3.15Å; L335-W341 HydrophobicContact CB-CB 4.35Å; L335-W341 HydrophobicContact CB-CD2 4.28Å; L335-W341 HydrophobicContact CB-CE3 4.26Å; L335-W341 HydrophobicContact CB-CG 4.33Å; L335-W341 HydrophobicContact CD1-CE3 4Å; L335-W341 HydrophobicContact CD1-CZ3 4.02Å; L335-W341 HydrophobicContact CD2-CD2 4.31Å; L335-W341 HydrophobicContact CD2-CE3 4.4Å; L335-W341 HydrophobicContact CG-CE3 4.45Å; L335-W341 PolarHBondContact O-N 2.97Å
336	A	89.2	Confident	91.8	Very high	14 Å²	14	40.7 Å²	40.7	12%	0.116	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-45	174.4	0	0	0	0	0	111.5	P258 T332 W333 K340 I346 M440	P258-A336 HydrophobicContact CG-CB 4.25Å; T332-A336 WeakPolarHBondContact O-CB 3.23Å; T332-A336 PolarHBondContact O-N 2.9Å; W333-A336 PolarHBondContact O-N 3.26Å; A336-K340 WeakPolarHBondContact O-CA 3.29Å; A336-K340 PolarHBondContact O-N 3.37Å; A336-I346 HydrophobicContact CB-CD1 4.19Å; A336-M440 HydrophobicContact CB-CE 4.4Å; A336-M440 WeakPolarHBondContact O-CE 3.14Å
337	A	85.4	Confident	91.5	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-75.5	-59.1	-176.7	0	0	0	0	0	114.5	W333 F334 L419 I422 M440	W333-A337 WeakPolarHBondContact O-CB 3.11Å; W333-A337 PolarHBondContact O-N 3.39Å; F334-A337 PolarHBondContact O-N 3.24Å; A337-L419 HydrophobicContact CB-CD1 4.44Å; A337-L419 HydrophobicContact CB-CD2 3.75Å; A337-L419 HydrophobicContact CB-CG 3.81Å; A337-I422 WeakPolarHBondContact O-CD1 3.45Å; A337-M440 HydrophobicContact CB-CE 3.65Å
338	G	84	Confident	91.4	Very high	24 Å²	24	46.6 Å²	46.6	25%	0.247	25%	0.251	C	S	.	.	H	α-helix	trans	-87.3	-32.8	-173	0	0	0	0	0	114.6	F334	F334-G338 WeakPolarHBondContact O-CA 2.95Å; F334-G338 PolarHBondContact O-N 3.18Å
339	K	85.9	Confident	91.3	Very high	131 Å²	131	48.6 Å²	48.6	57%	0.57	26%	0.262	S	S	*	.	S	Bend	trans	-98.1	-1.3	179.6	-61.3	-65.2	-172.7	176.1	0	113.3	F334 L335 W341	F334-K339 HydrophobicContact CE1-CG 4.46Å; L335-K339 HydrophobicContact CD2-CB 4.44Å; L335-K339 HydrophobicContact CD2-CG 4.14Å; L335-K339 CarbonylContact O-C 3.56Å; L335-K339 WeakPolarHBondContact O-CA 3.45Å; L335-K339 WeakPolarHBondContact O-CB 3.47Å; L335-K339 PolarHBondContact O-N 2.75Å; K339-W341 HydrophobicContact CB-CG 4.27Å; K339-W341 VanDerWaalsContact O-CD1 3.3Å; K339-W341 PolarHBondContact O-N 3.11Å
340	K	85.6	Confident	91.2	Very high	158 Å²	158	50 Å²	50	69%	0.687	27%	0.272	S	S	*	.			trans	55	31.9	-178.2	-56.4	-177.6	177.9	-175.5	0	113.1	L335 A336 G342 I422	L335-K340 PolarHBondContact O-N 3.07Å; L335-K340 VanDerWaalsContact O-N 3.15Å; A336-K340 WeakPolarHBondContact O-CA 3.29Å; A336-K340 PolarHBondContact O-N 3.37Å; K340-G342 PolarHBondContact O-N 3.28Å; K340-I422 HydrophobicContact CG-CD1 4.37Å
341	W	89	Confident	91.2	Very high	100 Å²	100	53.4 Å²	53.4	38%	0.379	30%	0.296	S	S	.	.			trans	-70.6	129	178.7	-76.1	19.3	0	0	0	110.8	L335 K339 A345 I346 N349	L335-W341 HydrophobicContact CB-CB 4.35Å; L335-W341 HydrophobicContact CB-CD2 4.28Å; L335-W341 HydrophobicContact CB-CE3 4.26Å; L335-W341 HydrophobicContact CB-CG 4.33Å; L335-W341 HydrophobicContact CD1-CE3 4Å; L335-W341 HydrophobicContact CD1-CZ3 4.02Å; L335-W341 HydrophobicContact CD2-CD2 4.31Å; L335-W341 HydrophobicContact CD2-CE3 4.4Å; L335-W341 HydrophobicContact CG-CE3 4.45Å; L335-W341 PolarHBondContact O-N 2.97Å; K339-W341 HydrophobicContact CB-CG 4.27Å; K339-W341 VanDerWaalsContact O-CD1 3.3Å; K339-W341 PolarHBondContact O-N 3.11Å; W341-A345 HydrophobicContact CB-CB 4.41Å; W341-A345 HydrophobicContact CD2-CB 4.44Å; W341-A345 HydrophobicContact CE3-CB 4.31Å; W341-I346 HydrophobicContact CB-CD1 4.26Å; W341-I346 HydrophobicContact CB-CG1 3.91Å; W341-I346 HydrophobicContact CE3-CG1 4.02Å; W341-N349 WeakPolarHBondContact CZ3-ND2 3.4Å
342	G	87.3	Confident	91.2	Very high	43 Å²	43	59.1 Å²	59.1	44%	0.443	32%	0.316	S	S	.	.			trans	-71.5	165.4	169.9	0	0	0	0	0	112.1	K340 E344 A345 I346	K340-G342 PolarHBondContact O-N 3.28Å; G342-E344 VanDerWaalsContact C-N 3.27Å; G342-E344 PolarHBondContact O-N 2.88Å; G342-A345 PolarHBondContact O-N 3.37Å; G342-I346 PolarHBondContact O-N 3.5Å
343	H	88.9	Confident	91.3	Very high	64 Å²	64	60.1 Å²	60.1	30%	0.296	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-37.2	-179.3	72.6	-67	0	0	0	113.7	K256 Y257 I346 E347	K256-H343 PolarHBondContact NZ-NE2 3.43Å; Y257-H343 WeakPolarHBondContact O-CB 3.48Å; H343-I346 PolarHBondContact O-N 3.33Å; H343-E347 VanDerWaalsContact O-CB 3.27Å; H343-E347 WeakPolarHBondContact O-CB 3.46Å; H343-E347 PolarHBondContact O-N 2.87Å
344	E	91.3	Very high	91.5	Very high	141 Å²	141	62.3 Å²	62.3	66%	0.659	33%	0.33	S	S	*	.	H	α-helix	trans	-65.2	-41.5	178.7	-67.2	171.6	-169	0	0	112.4	G342 I346 E347 A348	G342-E344 VanDerWaalsContact C-N 3.27Å; G342-E344 PolarHBondContact O-N 2.88Å; E344-I346 VanDerWaalsContact C-N 3.34Å; E344-I346 PolarHBondContact O-N 3.49Å; E344-E347 PolarHBondContact O-N 3.48Å; E344-A348 WeakPolarHBondContact O-CB 2.99Å; E344-A348 PolarHBondContact O-N 3.38Å
345	A	92.3	Very high	91.7	Very high	43 Å²	43	65.9 Å²	65.9	36%	0.355	35%	0.35	S	S	.	.	H	α-helix	trans	-66.9	-36.1	178.5	0	0	0	0	0	112.2	W341 G342 N349	W341-A345 HydrophobicContact CB-CB 4.41Å; W341-A345 HydrophobicContact CD2-CB 4.44Å; W341-A345 HydrophobicContact CE3-CB 4.31Å; G342-A345 PolarHBondContact O-N 3.37Å; A345-N349 PolarHBondContact O-ND2 2.94Å; A345-N349 VanDerWaalsContact O-ND2 3.08Å
346	I	94.3	Very high	91.9	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-71.4	-43.5	174.3	-60.5	172.9	0	0	0	109.9	Y257 P258 T332 A336 W341 G342 H343 E344 A348 N349 F353	Y257-I346 HydrophobicContact CD1-CG2 3.64Å; Y257-I346 HydrophobicContact CE1-CG2 4.43Å; Y257-I346 HydrophobicContact CG-CB 4.48Å; Y257-I346 HydrophobicContact CG-CG2 3.8Å; P258-I346 HydrophobicContact CB-CD1 4.43Å; T332-I346 HydrophobicContact CG2-CG2 3.67Å; A336-I346 HydrophobicContact CB-CD1 4.19Å; W341-I346 HydrophobicContact CB-CD1 4.26Å; W341-I346 HydrophobicContact CB-CG1 3.91Å; W341-I346 HydrophobicContact CE3-CG1 4.02Å; G342-I346 PolarHBondContact O-N 3.5Å; H343-I346 PolarHBondContact O-N 3.33Å; E344-I346 VanDerWaalsContact C-N 3.34Å; E344-I346 PolarHBondContact O-N 3.49Å; I346-A348 VanDerWaalsContact C-N 3.32Å; I346-A348 PolarHBondContact O-N 2.64Å; I346-N349 PolarHBondContact O-N 3.21Å; I346-N349 VanDerWaalsContact O-N 3.12Å; I346-F353 HydrophobicContact CG2-CE2 3.84Å; I346-F353 HydrophobicContact CG2-CZ 4.47Å
347	E	92.9	Very high	92.3	Very high	68 Å²	68	66.1 Å²	66.1	32%	0.318	36%	0.356	S	S	.	.	H	α-helix	trans	-64.9	-34	-179.2	-174.6	158.7	-149.2	0	0	112.8	Y257 R260 H343 E344 N349 S350	Y257-E347 HydrophobicContact CD2-CB 3.83Å; Y257-E347 HydrophobicContact CD2-CG 4.09Å; Y257-E347 HydrophobicContact CE2-CB 4.36Å; Y257-E347 HydrophobicContact CE2-CG 4.27Å; R260-E347 IonicContact NH1-OE1 3.04Å; R260-E347 PolarHBondContact NH1-OE1 3.07Å; H343-E347 VanDerWaalsContact O-CB 3.27Å; H343-E347 WeakPolarHBondContact O-CB 3.46Å; H343-E347 PolarHBondContact O-N 2.87Å; E344-E347 PolarHBondContact O-N 3.48Å; E347-N349 PolarHBondContact O-N 2.94Å; E347-N349 VanDerWaalsContact O-N 3.14Å; E347-S350 WeakPolarHBondContact O-CB 3.33Å; E347-S350 PolarHBondContact O-N 3.18Å; E347-S350 PolarHBondContact O-OG 2.73Å
348	A	94.7	Very high	92.9	Very high	77 Å²	77	69 Å²	69	64%	0.636	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.8	173.6	0	0	0	0	0	113.2	E344 I346	E344-A348 WeakPolarHBondContact O-CB 2.99Å; E344-A348 PolarHBondContact O-N 3.38Å; I346-A348 VanDerWaalsContact C-N 3.32Å; I346-A348 PolarHBondContact O-N 2.64Å
349	N	94.5	Very high	93.5	Very high	54 Å²	54	69.5 Å²	69.5	29%	0.289	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	7.4	178.8	-65.7	-60.3	0	0	0	113.6	W341 A345 I346 E347 S351 Y352 F353	W341-N349 WeakPolarHBondContact CZ3-ND2 3.4Å; A345-N349 PolarHBondContact O-ND2 2.94Å; A345-N349 VanDerWaalsContact O-ND2 3.08Å; I346-N349 PolarHBondContact O-N 3.21Å; I346-N349 VanDerWaalsContact O-N 3.12Å; E347-N349 PolarHBondContact O-N 2.94Å; E347-N349 VanDerWaalsContact O-N 3.14Å; N349-S351 PolarHBondContact O-N 3.42Å; N349-Y352 PolarHBondContact O-N 3.04Å; N349-F353 HydrophobicContact CB-CE2 4.25Å; N349-F353 HydrophobicContact CB-CZ 3.99Å
350	S	93.9	Very high	94.1	Very high	29 Å²	29	66.5 Å²	66.5	20%	0.203	36%	0.357	C	S	.	.	H	α-helix	trans	-59.6	-31.2	-174.5	59.4	0	0	0	0	114.1	Y257 E347 Y352 F353 H354	Y257-S350 WeakPolarHBondContact OH-CB 3.49Å; E347-S350 WeakPolarHBondContact O-CB 3.33Å; E347-S350 PolarHBondContact O-N 3.18Å; E347-S350 PolarHBondContact O-OG 2.73Å; S350-Y352 VanDerWaalsContact C-N 3.33Å; S350-Y352 PolarHBondContact O-N 3.48Å; S350-F353 PolarHBondContact O-N 3.4Å; S350-H354 PolarHBondContact O-CD2 3.17Å; S350-H354 PolarHBondContact O-N 3.39Å
351	S	96	Very high	94.7	Very high	73 Å²	73	59 Å²	59	51%	0.51	33%	0.325	S	S	.	.	H	α-helix	trans	-57.4	-43.1	176.8	55	0	0	0	0	112.3	N349 H354 L355	N349-S351 PolarHBondContact O-N 3.42Å; S351-H354 PolarHBondContact O-N 2.93Å; S351-L355 WeakPolarHBondContact O-CB 3.47Å; S351-L355 PolarHBondContact O-N 2.99Å
352	Y	96.8	Very high	95.1	Very high	161 Å²	161	55.6 Å²	55.6	63%	0.631	32%	0.319	S	S	*	.	H	α-helix	trans	-66.4	-40.5	177.4	-65.2	-69.1	0	0	0	112.2	N349 S350 L355 A356	N349-Y352 PolarHBondContact O-N 3.04Å; S350-Y352 VanDerWaalsContact C-N 3.33Å; S350-Y352 PolarHBondContact O-N 3.48Å; Y352-L355 PolarHBondContact O-N 3.48Å; Y352-A356 WeakPolarHBondContact O-CB 3.4Å; Y352-A356 PolarHBondContact O-N 3.1Å
353	F	96.9	Very high	95.7	Very high	21 Å²	21	58.4 Å²	58.4	9%	0.092	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-46.3	177.1	-55.2	-31.2	0	0	0	111.1	Y257 I328 L331 T332 I346 N349 S350 A356 A357	Y257-F353 HydrophobicContact CE1-CD2 4.15Å; I328-F353 HydrophobicContact CD1-CB 4.09Å; I328-F353 WeakPolarHBondContact CD1-O 3.39Å; I328-F353 HydrophobicContact CG1-CB 4.45Å; I328-F353 HydrophobicContact CG2-CB 3.99Å; I328-F353 HydrophobicContact CG2-CD1 4.46Å; I328-F353 HydrophobicContact CG2-CD2 4.39Å; I328-F353 HydrophobicContact CG2-CG 4.04Å; L331-F353 HydrophobicContact CD2-CE1 4.05Å; T332-F353 HydrophobicContact CG2-CD2 4.36Å; T332-F353 HydrophobicContact CG2-CE2 3.93Å; T332-F353 HydrophobicContact CG2-CZ 4.22Å; I346-F353 HydrophobicContact CG2-CE2 3.84Å; I346-F353 HydrophobicContact CG2-CZ 4.47Å; N349-F353 HydrophobicContact CB-CE2 4.25Å; N349-F353 HydrophobicContact CB-CZ 3.99Å; S350-F353 PolarHBondContact O-N 3.4Å; F353-A356 PolarHBondContact O-N 3.02Å; F353-A357 WeakPolarHBondContact O-CB 3.41Å; F353-A357 PolarHBondContact O-N 3.44Å
354	H	96.4	Very high	96	Very high	46 Å²	46	56.4 Å²	56.4	21%	0.213	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-44.6	176.8	-82.5	-67.7	0	0	0	112.6	F264 W325 S350 S351 A356 A357 W358	F264-H354 AromaticContact CD2-CE1 3.85Å; F264-H354 AromaticContact CE1-CE1 3.74Å; F264-H354 AromaticContact CE2-CE1 3.29Å; F264-H354 WeakPolarHBondContact CE2-CE1 3.02Å; F264-H354 AromaticContact CE2-NE2 3.51Å; F264-H354 AromaticContact CZ-CE1 3.25Å; F264-H354 WeakPolarHBondContact CZ-CE1 3.39Å; F264-H354 AromaticContact CZ-NE2 3.61Å; W325-H354 AromaticContact CH2-CE1 3.35Å; W325-H354 WeakPolarHBondContact CH2-CE1 3.5Å; W325-H354 AromaticContact CH2-CG 3.96Å; W325-H354 AromaticContact CH2-ND1 3.37Å; W325-H354 WeakPolarHBondContact CH2-ND1 3.47Å; W325-H354 AromaticContact CH2-NE2 3.92Å; W325-H354 AromaticContact CZ2-CE1 3.64Å; W325-H354 AromaticContact CZ2-ND1 3.43Å; W325-H354 WeakPolarHBondContact CZ2-ND1 3.06Å; S350-H354 PolarHBondContact O-CD2 3.17Å; S350-H354 PolarHBondContact O-N 3.39Å; S351-H354 PolarHBondContact O-N 2.93Å; H354-A356 PolarHBondContact O-N 2.98Å; H354-A357 PolarHBondContact O-N 3.32Å; H354-W358 AromaticContact ND1-NE1 3.43Å; H354-W358 PolarHBondContact ND1-NE1 3.33Å; H354-W358 WeakPolarHBondContact O-CB 3.44Å; H354-W358 PolarHBondContact O-N 3.45Å; H354-W358 VanDerWaalsContact O-N 3.14Å
355	L	97.4	Very high	96.3	Very high	114 Å²	114	50 Å²	50	60%	0.597	28%	0.284	S	S	*	.	H	α-helix	trans	-58.6	-49.3	177.6	-178.4	64.2	0	0	0	110.9	S351 Y352 A359	S351-L355 WeakPolarHBondContact O-CB 3.47Å; S351-L355 PolarHBondContact O-N 2.99Å; Y352-L355 PolarHBondContact O-N 3.48Å; L355-A359 HydrophobicContact CD1-CB 4.21Å; L355-A359 WeakPolarHBondContact O-CB 3.45Å; L355-A359 PolarHBondContact O-N 3.38Å
356	A	97	Very high	96.5	Very high	41 Å²	41	52.9 Å²	52.9	34%	0.339	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-47.5	179.5	0	0	0	0	0	112.3	Y352 F353 H354 W358 I360	Y352-A356 WeakPolarHBondContact O-CB 3.4Å; Y352-A356 PolarHBondContact O-N 3.1Å; F353-A356 PolarHBondContact O-N 3.02Å; H354-A356 PolarHBondContact O-N 2.98Å; A356-W358 VanDerWaalsContact C-N 3.29Å; A356-W358 PolarHBondContact O-N 2.87Å; A356-I360 HydrophobicContact CB-CD1 4.3Å; A356-I360 WeakPolarHBondContact O-CB 3.38Å; A356-I360 WeakPolarHBondContact O-CD1 3.27Å; A356-I360 VanDerWaalsContact O-CG1 3.31Å; A356-I360 WeakPolarHBondContact O-CG1 3.43Å; A356-I360 PolarHBondContact O-N 2.72Å
357	A	97.4	Very high	96.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-30.9	-176.2	0	0	0	0	0	113.8	L324 W325 I328 F353 H354 P361	L324-A357 HydrophobicContact CB-CB 4.47Å; W325-A357 HydrophobicContact CD2-CB 3.99Å; W325-A357 VanDerWaalsContact CE2-CB 3.48Å; W325-A357 HydrophobicContact CG-CB 4.41Å; W325-A357 HydrophobicContact CH2-CB 4.25Å; W325-A357 HydrophobicContact CZ2-CB 3.64Å; I328-A357 HydrophobicContact CD1-CB 3.68Å; F353-A357 WeakPolarHBondContact O-CB 3.41Å; F353-A357 PolarHBondContact O-N 3.44Å; H354-A357 PolarHBondContact O-N 3.32Å; A357-P361 WeakPolarHBondContact O-CD 3.34Å; A357-P361 WeakPolarHBondContact O-CG 3.37Å
358	W	98.1	Very high	96.7	Very high	62 Å²	62	54.2 Å²	54.2	24%	0.235	30%	0.299	C	S	.	.	H	α-helix	trans	-102.9	-35.8	-175.6	-59.5	130.2	0	0	0	113.7	Y317 A321 W325 H354 A356 A362	Y317-W358 AromaticContact CE1-CE3 3.88Å; Y317-W358 HydrophobicContact CE1-CE3 3.88Å; Y317-W358 HydrophobicContact CE1-CZ3 4.12Å; Y317-W358 PolarHBondContact OH-O 2.9Å; Y317-W358 VanDerWaalsContact OH-O 3.1Å; A321-W358 HydrophobicContact CB-CE3 3.86Å; A321-W358 HydrophobicContact CB-CH2 4.49Å; A321-W358 HydrophobicContact CB-CZ3 3.53Å; W325-W358 AromaticContact CE2-CZ2 3.83Å; W325-W358 AromaticContact CZ2-CE2 3.87Å; W325-W358 AromaticContact CZ2-CZ2 3.9Å; W325-W358 HydrophobicContact CZ2-CZ2 3.9Å; W325-W358 AromaticContact CZ2-NE1 3.8Å; W325-W358 AromaticContact NE1-CE2 3.68Å; W325-W358 AromaticContact NE1-CH2 3.34Å; W325-W358 VanDerWaalsContact NE1-CH2 3.34Å; W325-W358 AromaticContact NE1-CZ2 3.21Å; W325-W358 AromaticContact NE1-CZ3 3.92Å; H354-W358 AromaticContact ND1-NE1 3.43Å; H354-W358 PolarHBondContact ND1-NE1 3.33Å; H354-W358 WeakPolarHBondContact O-CB 3.44Å; H354-W358 PolarHBondContact O-N 3.45Å; H354-W358 VanDerWaalsContact O-N 3.14Å; A356-W358 VanDerWaalsContact C-N 3.29Å; A356-W358 PolarHBondContact O-N 2.87Å; W358-A362 WeakPolarHBondContact O-CB 3.34Å; W358-A362 PolarHBondContact O-N 2.99Å
359	A	97.9	Very high	96.6	Very high	34 Å²	34	52.5 Å²	52.5	28%	0.281	28%	0.279	S	S	.	.	H	α-helix	trans	-74.4	-39.8	-178.9	0	0	0	0	0	112.2	L355 A362 I363	L355-A359 HydrophobicContact CD1-CB 4.21Å; L355-A359 WeakPolarHBondContact O-CB 3.45Å; L355-A359 PolarHBondContact O-N 3.38Å; A359-A362 WeakPolarHBondContact O-CB 3.38Å; A359-A362 PolarHBondContact O-N 3.32Å; A359-I363 WeakPolarHBondContact O-CG1 3.23Å; A359-I363 PolarHBondContact O-N 3.28Å
360	I	97.9	Very high	96.6	Very high	67 Å²	67	55.2 Å²	55.2	34%	0.344	30%	0.297	S	S	.	.	H	α-helix	trans	-62.2	-49	-179.2	-64	169.8	0	0	0	111.1	L324 A356 A362 I363 K364 Y404	L324-I360 HydrophobicContact CD1-CB 3.79Å; L324-I360 HydrophobicContact CD1-CD1 4.37Å; L324-I360 HydrophobicContact CD1-CG2 3.97Å; L324-I360 HydrophobicContact CD2-CD1 4.35Å; A356-I360 HydrophobicContact CB-CD1 4.3Å; A356-I360 WeakPolarHBondContact O-CB 3.38Å; A356-I360 WeakPolarHBondContact O-CD1 3.27Å; A356-I360 VanDerWaalsContact O-CG1 3.31Å; A356-I360 WeakPolarHBondContact O-CG1 3.43Å; A356-I360 PolarHBondContact O-N 2.72Å; I360-A362 VanDerWaalsContact C-N 3.31Å; I360-A362 PolarHBondContact O-N 2.91Å; I360-I363 PolarHBondContact O-N 2.8Å; I360-K364 HydrophobicContact CG2-CD 4.14Å; I360-K364 VanDerWaalsContact O-CG 3.31Å; I360-K364 WeakPolarHBondContact O-CG 3.5Å; I360-K364 PolarHBondContact O-N 3Å; I360-K364 VanDerWaalsContact O-N 3.08Å; I360-Y404 WeakPolarHBondContact CG2-OH 3.29Å
361	P	98.2	Very high	96.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-37.3	173.5	-26	38.5	0	0	0	112.9	Y317 M320 A321 L324 A357 K364 T365	Y317-P361 HydrophobicContact CD2-CB 3.91Å; Y317-P361 HydrophobicContact CE2-CB 3.97Å; Y317-P361 HydrophobicContact CG-CB 4.38Å; M320-P361 HydrophobicContact CB-CB 3.93Å; M320-P361 HydrophobicContact CB-CG 4Å; A321-P361 HydrophobicContact CB-CG 4.01Å; L324-P361 HydrophobicContact CD1-CG 3.7Å; A357-P361 WeakPolarHBondContact O-CD 3.34Å; A357-P361 WeakPolarHBondContact O-CG 3.37Å; P361-K364 PolarHBondContact O-N 2.94Å; P361-T365 VanDerWaalsContact O-CB 3.3Å; P361-T365 WeakPolarHBondContact O-CB 3.43Å; P361-T365 PolarHBondContact O-N 3.09Å; P361-T365 PolarHBondContact O-OG1 3.11Å
362	A	98	Very high	96.2	Very high	30 Å²	30	61.2 Å²	61.2	25%	0.248	31%	0.309	C	S	.	.	H	α-helix	trans	-60.3	-51.9	177.7	0	0	0	0	0	111.4	Y317 W358 A359 I360 K364 T365 I366	Y317-A362 HydrophobicContact CE2-CB 3.87Å; W358-A362 WeakPolarHBondContact O-CB 3.34Å; W358-A362 PolarHBondContact O-N 2.99Å; A359-A362 WeakPolarHBondContact O-CB 3.38Å; A359-A362 PolarHBondContact O-N 3.32Å; I360-A362 VanDerWaalsContact C-N 3.31Å; I360-A362 PolarHBondContact O-N 2.91Å; A362-K364 VanDerWaalsContact C-N 3.35Å; A362-K364 PolarHBondContact O-N 3.46Å; A362-T365 WeakPolarHBondContact O-CB 3.42Å; A362-T365 PolarHBondContact O-N 3.41Å; A362-I366 VanDerWaalsContact O-CG1 3.3Å; A362-I366 WeakPolarHBondContact O-CG1 3.49Å; A362-I366 PolarHBondContact O-N 2.87Å
363	I	97.9	Very high	95.9	Very high	101 Å²	101	57.1 Å²	57.1	52%	0.518	30%	0.295	S	S	.	.	H	α-helix	trans	-59.3	-47.2	179.2	-67.5	165.9	0	0	0	110.2	A359 I360 T365 I366 M367	A359-I363 WeakPolarHBondContact O-CG1 3.23Å; A359-I363 PolarHBondContact O-N 3.28Å; I360-I363 PolarHBondContact O-N 2.8Å; I363-T365 VanDerWaalsContact C-N 3.31Å; I363-T365 PolarHBondContact O-N 2.92Å; I363-I366 PolarHBondContact O-N 3.42Å; I363-M367 HydrophobicContact CG2-SD 4.35Å; I363-M367 WeakPolarHBondContact O-CG 3.26Å; I363-M367 PolarHBondContact O-N 2.88Å
364	K	96.7	Very high	95.7	Very high	22 Å²	22	56.2 Å²	56.2	10%	0.096	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-41.7	177.5	-69.4	177	76.4	-156.4	0	112.2	Y316 M320 I360 P361 A362 M367 I368 F396 P400	Y316-K364 HydrophobicContact CE1-CB 3.96Å; Y316-K364 WeakPolarHBondContact OH-CE 3.34Å; Y316-K364 PolarHBondContact OH-NZ 3.3Å; M320-K364 PolarHBondContact SD-NZ 3.46Å; I360-K364 HydrophobicContact CG2-CD 4.14Å; I360-K364 VanDerWaalsContact O-CG 3.31Å; I360-K364 WeakPolarHBondContact O-CG 3.5Å; I360-K364 PolarHBondContact O-N 3Å; I360-K364 VanDerWaalsContact O-N 3.08Å; P361-K364 PolarHBondContact O-N 2.94Å; A362-K364 VanDerWaalsContact C-N 3.35Å; A362-K364 PolarHBondContact O-N 3.46Å; K364-M367 PolarHBondContact O-N 2.87Å; K364-I368 WeakPolarHBondContact O-CD1 3.44Å; K364-I368 WeakPolarHBondContact O-CG1 3.01Å; K364-I368 PolarHBondContact O-N 3.37Å; K364-F396 WeakPolarHBondContact CE-O 3.5Å; K364-F396 PolarHBondContact NZ-O 3.19Å; K364-P400 VanDerWaalsContact NZ-CG 3.35Å
365	T	96.9	Very high	95.5	Very high	8 Å²	8	54.3 Å²	54.3	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-45.6	178.1	-56.3	0	0	0	0	111	F312 L313 Y316 P361 A362 I363 M367 I368 L369	F312-T365 HydrophobicContact CE1-CG2 4Å; F312-T365 HydrophobicContact CZ-CG2 4.29Å; L313-T365 HydrophobicContact CD2-CG2 3.33Å; Y316-T365 WeakPolarHBondContact CD1-OG1 3.41Å; P361-T365 VanDerWaalsContact O-CB 3.3Å; P361-T365 WeakPolarHBondContact O-CB 3.43Å; P361-T365 PolarHBondContact O-N 3.09Å; P361-T365 PolarHBondContact O-OG1 3.11Å; A362-T365 WeakPolarHBondContact O-CB 3.42Å; A362-T365 PolarHBondContact O-N 3.41Å; I363-T365 VanDerWaalsContact C-N 3.31Å; I363-T365 PolarHBondContact O-N 2.92Å; T365-M367 PolarHBondContact O-N 3.43Å; T365-I368 PolarHBondContact O-N 2.95Å; T365-L369 HydrophobicContact CG2-CD1 4.41Å; T365-L369 WeakPolarHBondContact O-CG 3.46Å; T365-L369 PolarHBondContact O-N 3.26Å
366	I	96.6	Very high	95.2	Very high	103 Å²	103	49 Å²	49	53%	0.528	26%	0.256	S	S	.	.	H	α-helix	trans	-59.6	-46.9	175.9	-67	163.6	0	0	0	110.3	A362 I363 I368 L369 V370	A362-I366 VanDerWaalsContact O-CG1 3.3Å; A362-I366 WeakPolarHBondContact O-CG1 3.49Å; A362-I366 PolarHBondContact O-N 2.87Å; I363-I366 PolarHBondContact O-N 3.42Å; I366-I368 VanDerWaalsContact C-N 3.33Å; I366-I368 PolarHBondContact O-N 3.03Å; I366-L369 PolarHBondContact O-N 2.98Å; I366-V370 HydrophobicContact CG2-CG2 4.27Å; I366-V370 VanDerWaalsContact O-CG2 3.28Å; I366-V370 WeakPolarHBondContact O-CG2 3.39Å; I366-V370 PolarHBondContact O-N 2.67Å
367	M	95.8	Very high	94.9	Very high	96 Å²	96	48 Å²	48	47%	0.473	25%	0.245	S	C	.	.	H	α-helix	trans	-58.7	-42.9	177.9	-71.2	-174.6	77.1	0	0	112.4	I363 K364 T365 V370 M371 F396	I363-M367 HydrophobicContact CG2-SD 4.35Å; I363-M367 WeakPolarHBondContact O-CG 3.26Å; I363-M367 PolarHBondContact O-N 2.88Å; K364-M367 PolarHBondContact O-N 2.87Å; T365-M367 PolarHBondContact O-N 3.43Å; M367-V370 PolarHBondContact O-N 2.99Å; M367-M371 WeakPolarHBondContact O-CB 3.25Å; M367-M371 VanDerWaalsContact O-CG 3.26Å; M367-M371 WeakPolarHBondContact O-CG 3.49Å; M367-M371 PolarHBondContact O-N 3.26Å; M367-F396 HydrophobicContact CB-CE1 4.04Å; M367-F396 HydrophobicContact CB-CZ 4.39Å
368	I	94.9	Very high	94.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-41	178.9	-70.3	161.3	0	0	0	112	F312 Y316 K364 T365 I366 M371 R372 K373 V374 V385 F396	F312-I368 HydrophobicContact CE1-CG2 4.31Å; F312-I368 HydrophobicContact CE2-CD1 4.45Å; F312-I368 HydrophobicContact CE2-CG2 3.8Å; F312-I368 HydrophobicContact CZ-CB 3.95Å; F312-I368 HydrophobicContact CZ-CD1 4.26Å; F312-I368 HydrophobicContact CZ-CG2 3.44Å; F312-I368 VanDerWaalsContact CZ-CG2 3.44Å; Y316-I368 HydrophobicContact CD1-CD1 3.97Å; Y316-I368 HydrophobicContact CD2-CD1 4.17Å; Y316-I368 HydrophobicContact CE1-CD1 3.38Å; Y316-I368 HydrophobicContact CE2-CD1 3.58Å; Y316-I368 HydrophobicContact CG-CD1 4.33Å; Y316-I368 WeakPolarHBondContact OH-CD1 3.42Å; K364-I368 WeakPolarHBondContact O-CD1 3.44Å; K364-I368 WeakPolarHBondContact O-CG1 3.01Å; K364-I368 PolarHBondContact O-N 3.37Å; T365-I368 PolarHBondContact O-N 2.95Å; I366-I368 VanDerWaalsContact C-N 3.33Å; I366-I368 PolarHBondContact O-N 3.03Å; I368-M371 CarbonylContact O-C 3.5Å; I368-M371 PolarHBondContact O-N 3.48Å; I368-R372 PolarHBondContact O-N 3.33Å; I368-K373 HydrophobicContact CG2-CB 4.42Å; I368-K373 PolarHBondContact O-N 3.23Å; I368-V374 HydrophobicContact CG2-CG2 3.74Å; I368-V385 HydrophobicContact CD1-CB 4.36Å; I368-V385 HydrophobicContact CD1-CG1 4.37Å; I368-V385 HydrophobicContact CD1-CG2 4.24Å; I368-V385 HydrophobicContact CG1-CG2 4.34Å; I368-V385 HydrophobicContact CG2-CB 4.27Å; I368-V385 HydrophobicContact CG2-CG2 4.11Å; I368-F396 HydrophobicContact CD1-CB 3.77Å; I368-F396 HydrophobicContact CD1-CD1 3.89Å; I368-F396 HydrophobicContact CD1-CD2 4.48Å; I368-F396 HydrophobicContact CD1-CG 3.8Å; I368-F396 HydrophobicContact CG1-CB 4.1Å; I368-F396 HydrophobicContact CG1-CD1 3.6Å; I368-F396 HydrophobicContact CG1-CD2 3.86Å; I368-F396 HydrophobicContact CG1-CE1 3.94Å; I368-F396 HydrophobicContact CG1-CE2 4.18Å; I368-F396 HydrophobicContact CG1-CG 3.57Å; I368-F396 HydrophobicContact CG1-CZ 4.22Å
369	L	93.9	Very high	94.2	Very high	40 Å²	40	46.2 Å²	46.2	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-43.7	176.5	-70.3	174.7	0	0	0	111.5	L303 T309 F312 L313 T365 I366 M371 R372 V374	L303-L369 HydrophobicContact CD1-CD2 4.28Å; T309-L369 HydrophobicContact CG2-CD2 4.2Å; F312-L369 HydrophobicContact CD1-CD2 4.02Å; F312-L369 HydrophobicContact CE1-CD2 3.69Å; F312-L369 HydrophobicContact CE1-CG 3.97Å; L313-L369 HydrophobicContact CD2-CD1 4.05Å; T365-L369 HydrophobicContact CG2-CD1 4.41Å; T365-L369 WeakPolarHBondContact O-CG 3.46Å; T365-L369 PolarHBondContact O-N 3.26Å; I366-L369 PolarHBondContact O-N 2.98Å; L369-M371 VanDerWaalsContact C-N 3.3Å; L369-M371 PolarHBondContact O-N 3.48Å; L369-R372 PolarHBondContact O-N 3.03Å; L369-R372 VanDerWaalsContact O-N 3.1Å; L369-V374 HydrophobicContact CD2-CG2 4.26Å
370	V	93.6	Very high	93.9	Very high	112 Å²	112	45.2 Å²	45.2	68%	0.679	23%	0.23	S	C	*	.	H	α-helix	trans	-61.8	-40.3	176.2	170.8	0	0	0	0	111	I366 M367 R372	I366-V370 HydrophobicContact CG2-CG2 4.27Å; I366-V370 VanDerWaalsContact O-CG2 3.28Å; I366-V370 WeakPolarHBondContact O-CG2 3.39Å; I366-V370 PolarHBondContact O-N 2.67Å; M367-V370 PolarHBondContact O-N 2.99Å; V370-R372 PolarHBondContact O-N 3.42Å
371	M	91.3	Very high	93.6	Very high	96 Å²	96	42.2 Å²	42.2	47%	0.473	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.7	177.3	-66.7	179.5	67.8	0	0	114.1	M367 I368 L369 K373 F396	M367-M371 WeakPolarHBondContact O-CB 3.25Å; M367-M371 VanDerWaalsContact O-CG 3.26Å; M367-M371 WeakPolarHBondContact O-CG 3.49Å; M367-M371 PolarHBondContact O-N 3.26Å; I368-M371 CarbonylContact O-C 3.5Å; I368-M371 PolarHBondContact O-N 3.48Å; L369-M371 VanDerWaalsContact C-N 3.3Å; L369-M371 PolarHBondContact O-N 3.48Å; M371-K373 VanDerWaalsContact C-N 3.25Å; M371-K373 HydrophobicContact CB-CG 3.9Å; M371-K373 WeakPolarHBondContact O-CG 3.36Å; M371-K373 PolarHBondContact O-N 2.94Å; M371-F396 HydrophobicContact CE-CE2 4.2Å; M371-F396 HydrophobicContact CE-CZ 4.4Å; M371-F396 HydrophobicContact SD-CE2 3.81Å; M371-F396 HydrophobicContact SD-CZ 3.5Å; M371-F396 WeakPolarHBondContact SD-CZ 3.43Å
372	R	90.4	Very high	93.3	Very high	131 Å²	131	42.4 Å²	42.4	49%	0.494	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	37.2	-178.6	-55.2	-174	-179.6	-172.2	-0.5	114.2	E301 I368 L369 V370 V374	E301-R372 WeakPolarHBondContact OE2-CD 3.45Å; E301-R372 IonicContact OE2-NH1 2.75Å; E301-R372 PolarHBondContact OE2-NH1 2.93Å; I368-R372 PolarHBondContact O-N 3.33Å; L369-R372 PolarHBondContact O-N 3.03Å; L369-R372 VanDerWaalsContact O-N 3.1Å; V370-R372 PolarHBondContact O-N 3.42Å; R372-V374 VanDerWaalsContact C-N 3.32Å; R372-V374 PolarHBondContact O-N 3.36Å
373	K	90.8	Very high	93.1	Very high	75 Å²	75	41 Å²	41	33%	0.326	21%	0.205	S	C	.	.			trans	-93.9	30	-176.4	-62.3	-57.3	-174.6	169.6	0	114.5	I368 M371 V385 D389 A392	I368-K373 HydrophobicContact CG2-CB 4.42Å; I368-K373 PolarHBondContact O-N 3.23Å; M371-K373 VanDerWaalsContact C-N 3.25Å; M371-K373 HydrophobicContact CB-CG 3.9Å; M371-K373 WeakPolarHBondContact O-CG 3.36Å; M371-K373 PolarHBondContact O-N 2.94Å; K373-V385 HydrophobicContact CB-CG2 4.35Å; K373-V385 WeakPolarHBondContact O-CA 3.29Å; K373-V385 WeakPolarHBondContact O-CG2 3.32Å; K373-D389 WeakPolarHBondContact CD-OD2 3.35Å; K373-D389 VanDerWaalsContact CE-OD2 3.32Å; K373-D389 WeakPolarHBondContact CE-OD2 3.45Å; K373-D389 IonicContact NZ-OD2 3.99Å; K373-D389 PolarHBondContact NZ-OD2 3.47Å; K373-A392 HydrophobicContact CB-CB 3.85Å; K373-A392 HydrophobicContact CD-CB 4.33Å; K373-A392 HydrophobicContact CG-CB 4Å
374	V	92.9	Very high	92.9	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126	179.1	-179	0	0	0	0	108.7	Q300 E301 G302 F312 I368 L369 R372 C383	Q300-V374 CarbonylContact C-O 3.19Å; Q300-V374 VanDerWaalsContact O-O 3.13Å; E301-V374 CarbonylContact C-O 3.13Å; E301-V374 WeakPolarHBondContact CA-O 3.37Å; G302-V374 PolarHBondContact N-O 2.93Å; F312-V374 HydrophobicContact CB-CG1 3.61Å; F312-V374 HydrophobicContact CD1-CG1 4.21Å; F312-V374 HydrophobicContact CD1-CG2 3.66Å; F312-V374 HydrophobicContact CD2-CB 4.5Å; F312-V374 HydrophobicContact CD2-CG1 3.97Å; F312-V374 HydrophobicContact CD2-CG2 3.82Å; F312-V374 HydrophobicContact CE1-CG2 3.71Å; F312-V374 HydrophobicContact CE2-CG2 3.86Å; F312-V374 HydrophobicContact CG-CB 4.35Å; F312-V374 HydrophobicContact CG-CG1 3.63Å; F312-V374 HydrophobicContact CG-CG2 3.72Å; F312-V374 HydrophobicContact CZ-CG2 3.82Å; I368-V374 HydrophobicContact CG2-CG2 3.74Å; L369-V374 HydrophobicContact CD2-CG2 4.26Å; R372-V374 VanDerWaalsContact C-N 3.32Å; R372-V374 PolarHBondContact O-N 3.36Å; V374-C383 HydrophobicContact CG1-CB 4.19Å
375	A	91.6	Very high	92.7	Very high	6 Å²	6	36.7 Å²	36.7	5%	0.05	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153.2	179.1	0	0	0	0	0	111.3	I299 C383 Y384	I299-A375 CarbonylContact O-C 3.01Å; I299-A375 VanDerWaalsContact O-CA 3.29Å; I299-A375 WeakPolarHBondContact O-CA 3.3Å; A375-C383 CarbonylContact O-C 3.49Å; A375-C383 WeakPolarHBondContact O-CA 3.44Å; A375-Y384 PolarHBondContact N-O 2.9Å; A375-Y384 PolarHBondContact O-N 3.02Å
376	G	91.6	Very high	91.7	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	147.8	170.1	0	0	0	0	0	111.5	I298 I299 S387	I298-G376 VanDerWaalsContact CG2-O 3.24Å; I298-G376 WeakPolarHBondContact CG2-O 3.49Å; I299-G376 PolarHBondContact O-N 2.88Å; G376-S387 PolarHBondContact O-OG 2.96Å
377	D	91.1	Very high	90.5	Very high	21 Å²	21	33 Å²	33	11%	0.112	17%	0.167	C	C	.	.			trans	-107.4	127.5	175.8	-177.5	-97.8	0	0	0	110.7	L379 T380 G381 V382 S387	D377-L379 PolarHBondContact OD1-N 3.21Å; D377-T380 WeakPolarHBondContact CB-OG1 3.3Å; D377-T380 VanDerWaalsContact CG-OG1 3.26Å; D377-T380 WeakPolarHBondContact OD1-CB 3.35Å; D377-T380 WeakPolarHBondContact OD1-CG2 3.3Å; D377-T380 PolarHBondContact OD1-N 3.43Å; D377-T380 PolarHBondContact OD1-OG1 3.02Å; D377-G381 VanDerWaalsContact O-CA 3.3Å; D377-G381 WeakPolarHBondContact O-CA 3.49Å; D377-G381 PolarHBondContact O-N 3.26Å; D377-V382 PolarHBondContact N-O 3.26Å; D377-S387 PolarHBondContact OD2-OG 2.93Å
378	E	89.6	Confident	89.5	Confident	24 Å²	24	30.2 Å²	30.2	11%	0.112	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-43.3	-176.2	-174.9	-174.5	172.9	0	0	112.4	V216 Y217 K223 I298	V216-E378 PolarHBondContact N-OE1 2.91Å; Y217-E378 WeakPolarHBondContact CB-OE2 3.46Å; Y217-E378 VanDerWaalsContact CD2-OE2 3.29Å; Y217-E378 WeakPolarHBondContact CD2-OE2 3.24Å; Y217-E378 PolarHBondContact N-OE2 3.04Å; K223-E378 WeakPolarHBondContact CE-OE1 3.44Å; K223-E378 IonicContact NZ-OE1 2.98Å; K223-E378 PolarHBondContact NZ-OE1 3.31Å; I298-E378 HydrophobicContact CD1-CB 3.45Å; I298-E378 VanDerWaalsContact CD1-CB 3.45Å; I298-E378 HydrophobicContact CD1-CG 3.8Å
379	L	91.4	Very high	89.1	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-46.3	-174.8	-179.8	63.2	0	0	0	111.6	W218 S226 D377 F503 M504	W218-L379 HydrophobicContact CB-CD1 4.35Å; W218-L379 HydrophobicContact CD2-CB 3.9Å; W218-L379 HydrophobicContact CD2-CD1 3.94Å; W218-L379 HydrophobicContact CD2-CD2 4.12Å; W218-L379 HydrophobicContact CD2-CG 4.21Å; W218-L379 HydrophobicContact CE3-CD1 4.05Å; W218-L379 HydrophobicContact CE3-CD2 4.09Å; W218-L379 HydrophobicContact CE3-CG 4.5Å; W218-L379 HydrophobicContact CG-CB 3.97Å; W218-L379 HydrophobicContact CG-CD1 4.08Å; W218-L379 HydrophobicContact CH2-CD2 3.75Å; W218-L379 HydrophobicContact CZ2-CB 4.15Å; W218-L379 HydrophobicContact CZ2-CD2 3.83Å; W218-L379 HydrophobicContact CZ3-CD2 3.94Å; S226-L379 PolarHBondContact OG-O 2.93Å; D377-L379 PolarHBondContact OD1-N 3.21Å; L379-F503 HydrophobicContact CD2-CB 3.7Å; L379-F503 HydrophobicContact CD2-CD1 4.13Å; L379-F503 HydrophobicContact CD2-CG 3.99Å; L379-M504 HydrophobicContact CD1-CE 4.36Å; L379-M504 HydrophobicContact CD2-CE 3.61Å; L379-M504 HydrophobicContact CG-CE 4.1Å
380	T	91.5	Very high	88.9	Confident	13 Å²	13	31.5 Å²	31.5	8%	0.08	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-10.6	-170.5	63.9	0	0	0	0	113.3	I230 R279 D377 V382	I230-T380 HydrophobicContact CD1-CG2 3.87Å; R279-T380 WeakPolarHBondContact CD-O 3.37Å; R279-T380 VanDerWaalsContact CZ-C 3.47Å; R279-T380 PolarHBondContact NE-O 3.37Å; R279-T380 VanDerWaalsContact NE-O 3.11Å; R279-T380 VanDerWaalsContact NH1-C 3.25Å; R279-T380 PolarHBondContact NH1-O 2.95Å; D377-T380 WeakPolarHBondContact CB-OG1 3.3Å; D377-T380 VanDerWaalsContact CG-OG1 3.26Å; D377-T380 WeakPolarHBondContact OD1-CB 3.35Å; D377-T380 WeakPolarHBondContact OD1-CG2 3.3Å; D377-T380 PolarHBondContact OD1-N 3.43Å; D377-T380 PolarHBondContact OD1-OG1 3.02Å; T380-V382 PolarHBondContact O-N 2.89Å; T380-V382 VanDerWaalsContact O-N 3.1Å; T380-V382 VanDerWaalsContact OG1-CG2 3.29Å; T380-V382 WeakPolarHBondContact OG1-CG2 3.28Å
381	G	90.1	Very high	88.8	Confident	4 Å²	4	34.6 Å²	34.6	4%	0.041	17%	0.165	C	C	.	.			trans	59.5	21.9	176.2	0	0	0	0	0	114.3	D377	D377-G381 VanDerWaalsContact O-CA 3.3Å; D377-G381 WeakPolarHBondContact O-CA 3.49Å; D377-G381 PolarHBondContact O-N 3.26Å
382	V	92.8	Very high	88.9	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.024	14%	0.144	C	C	.	.	S	Bend	trans	-116	163.4	175	-63.6	0	0	0	0	109.7	Y276 R279 V311 L315 D377 T380	Y276-V382 HydrophobicContact CD1-CG1 4.12Å; Y276-V382 HydrophobicContact CE1-CG1 4.44Å; Y276-V382 HydrophobicContact CE1-CG2 4.2Å; R279-V382 HydrophobicContact CB-CG1 4.46Å; V311-V382 HydrophobicContact CG1-CB 3.79Å; V311-V382 HydrophobicContact CG1-CG1 4.03Å; L315-V382 HydrophobicContact CD1-CB 3.93Å; L315-V382 HydrophobicContact CD1-CG1 4.33Å; L315-V382 HydrophobicContact CD1-CG2 3.9Å; D377-V382 PolarHBondContact N-O 3.26Å; T380-V382 PolarHBondContact O-N 2.89Å; T380-V382 VanDerWaalsContact O-N 3.1Å; T380-V382 VanDerWaalsContact OG1-CG2 3.29Å; T380-V382 WeakPolarHBondContact OG1-CG2 3.28Å
383	C	93.9	Very high	89	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.9	174.9	-72	0	0	0	0	111.7	C308 F312 V374 A375	C308-C383 WeakPolarHBondContact CA-SG 3.48Å; C308-C383 HydrophobicContact CB-CB 3.96Å; C308-C383 WeakPolarHBondContact CB-SG 3.42Å; C308-C383 VanDerWaalsContact O-CB 3.26Å; C308-C383 WeakPolarHBondContact O-CB 3.29Å; C308-C383 WeakPolarHBondContact SG-CB 3.35Å; C308-C383 CovalentContact SG-SG 2.02Å; C308-C383 PolarHBondContact SG-SG 3.11Å; F312-C383 WeakPolarHBondContact CA-O 3.27Å; F312-C383 HydrophobicContact CB-CB 4.25Å; V374-C383 HydrophobicContact CG1-CB 4.19Å; A375-C383 CarbonylContact O-C 3.49Å; A375-C383 WeakPolarHBondContact O-CA 3.44Å
384	Y	94.4	Very high	89.2	Confident	33 Å²	33	22 Å²	22	13%	0.129	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	166.2	179.9	-157.5	-109.4	0	0	0	111.3	L315 Y316 A375 V397	L315-Y384 HydrophobicContact CB-CD2 4.13Å; L315-Y384 HydrophobicContact CB-CE2 4.25Å; Y316-Y384 HydrophobicContact CD2-CE2 4.07Å; A375-Y384 PolarHBondContact N-O 2.9Å; A375-Y384 PolarHBondContact O-N 3.02Å; Y384-V397 HydrophobicContact CE1-CG2 3.95Å
385	V	91.9	Very high	89.4	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.3	177	59.9	0	0	0	0	110.4	F312 Y316 I368 K373 A392 F396 V397	F312-V385 HydrophobicContact CE2-CB 4.28Å; Y316-V385 HydrophobicContact CD2-CG1 3.64Å; Y316-V385 HydrophobicContact CE2-CG1 3.59Å; I368-V385 HydrophobicContact CD1-CB 4.36Å; I368-V385 HydrophobicContact CD1-CG1 4.37Å; I368-V385 HydrophobicContact CD1-CG2 4.24Å; I368-V385 HydrophobicContact CG1-CG2 4.34Å; I368-V385 HydrophobicContact CG2-CB 4.27Å; I368-V385 HydrophobicContact CG2-CG2 4.11Å; K373-V385 HydrophobicContact CB-CG2 4.35Å; K373-V385 WeakPolarHBondContact O-CA 3.29Å; K373-V385 WeakPolarHBondContact O-CG2 3.32Å; V385-A392 HydrophobicContact CG2-CB 4Å; V385-F396 HydrophobicContact CG2-CB 4.32Å; V385-F396 HydrophobicContact CG2-CD2 4.49Å; V385-V397 HydrophobicContact CG1-CG2 3.34Å
386	G	76.1	Confident	89.6	Confident	6 Å²	6	24.5 Å²	24.5	6%	0.062	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	14.7	168.6	0	0	0	0	0	116.3	M388	G386-M388 PolarHBondContact O-N 3.05Å
387	S	71.1	Confident	89.9	Confident	28 Å²	28	24.4 Å²	24.4	20%	0.196	13%	0.133	C	C	.	.	S	Bend	trans	-57.9	-29.5	173.2	-176.7	0	0	0	0	112.1	G376 D377 M468	G376-S387 PolarHBondContact O-OG 2.96Å; D377-S387 PolarHBondContact OD2-OG 2.93Å; S387-M468 VanDerWaalsContact C-CE 3.44Å; S387-M468 WeakPolarHBondContact O-CE 3.26Å
388	M	73.9	Confident	90.1	Very high	36 Å²	36	24.1 Å²	24.1	18%	0.177	13%	0.131	C	C	.	.	S	Bend	trans	-129.4	9	177.8	-63.1	-61.5	-90.1	0	0	114.7	Y217 G386 M468 R472	Y217-M388 HydrophobicContact CE2-CE 3.65Å; Y217-M388 HydrophobicContact CE2-SD 4.26Å; Y217-M388 WeakPolarHBondContact OH-CE 3.22Å; G386-M388 PolarHBondContact O-N 3.05Å; M388-M468 HydrophobicContact CB-CE 4.47Å; M388-R472 PolarHBondContact O-NH2 2.99Å
389	D	87	Confident	90.5	Very high	39 Å²	39	27.4 Å²	27.4	21%	0.209	15%	0.149	C	C	.	.			trans	-133.1	106.3	-178.6	-173.8	-29.2	0	0	0	112.1	K373 K391 A392 L393 M468	K373-D389 WeakPolarHBondContact CD-OD2 3.35Å; K373-D389 VanDerWaalsContact CE-OD2 3.32Å; K373-D389 WeakPolarHBondContact CE-OD2 3.45Å; K373-D389 IonicContact NZ-OD2 3.99Å; K373-D389 PolarHBondContact NZ-OD2 3.47Å; D389-K391 VanDerWaalsContact C-N 3.29Å; D389-K391 PolarHBondContact O-N 2.98Å; D389-K391 WeakPolarHBondContact OD1-CA 3.36Å; D389-K391 WeakPolarHBondContact OD1-CB 3.38Å; D389-K391 PolarHBondContact OD1-N 3.5Å; D389-A392 HydrophobicContact CB-CB 3.98Å; D389-A392 PolarHBondContact O-N 3.02Å; D389-A392 PolarHBondContact OD1-N 2.9Å; D389-L393 WeakPolarHBondContact O-CB 3.46Å; D389-L393 PolarHBondContact O-N 3.24Å; D389-M468 VanDerWaalsContact N-CE 3.34Å
390	V	89.6	Confident	90.8	Very high	28 Å²	28	28.2 Å²	28.2	17%	0.17	15%	0.154	C	C	.	.	H	α-helix	trans	-59.1	-37.4	180	-176.4	0	0	0	0	112.1	T394 R465 M468	V390-T394 VanDerWaalsContact O-CB 3.31Å; V390-T394 WeakPolarHBondContact O-CB 3.46Å; V390-T394 PolarHBondContact O-N 3.42Å; V390-T394 PolarHBondContact O-OG1 2.91Å; V390-R465 HydrophobicContact CG1-CG 3.87Å; V390-M468 HydrophobicContact CB-SD 4.31Å; V390-M468 HydrophobicContact CG2-CB 4.02Å; V390-M468 HydrophobicContact CG2-CG 4Å; V390-M468 HydrophobicContact CG2-SD 3.39Å; V390-M468 WeakPolarHBondContact CG2-SD 3.09Å
391	K	91.6	Very high	91.1	Very high	177 Å²	177	28.7 Å²	28.7	77%	0.77	16%	0.156	S	C	*	.	H	α-helix	trans	-71.1	-45.4	-177	-62.7	179.8	-178.1	176.1	0	110	D389 T394 G395	D389-K391 VanDerWaalsContact C-N 3.29Å; D389-K391 PolarHBondContact O-N 2.98Å; D389-K391 WeakPolarHBondContact OD1-CA 3.36Å; D389-K391 WeakPolarHBondContact OD1-CB 3.38Å; D389-K391 PolarHBondContact OD1-N 3.5Å; K391-T394 PolarHBondContact O-N 3.28Å; K391-G395 PolarHBondContact O-N 3.19Å
392	A	93.4	Very high	91.5	Very high	4 Å²	4	30 Å²	30	3%	0.033	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-44	177.1	0	0	0	0	0	111.8	K373 V385 D389 T394 F396	K373-A392 HydrophobicContact CB-CB 3.85Å; K373-A392 HydrophobicContact CD-CB 4.33Å; K373-A392 HydrophobicContact CG-CB 4Å; V385-A392 HydrophobicContact CG2-CB 4Å; D389-A392 HydrophobicContact CB-CB 3.98Å; D389-A392 PolarHBondContact O-N 3.02Å; D389-A392 PolarHBondContact OD1-N 2.9Å; A392-T394 PolarHBondContact O-N 2.72Å; A392-F396 HydrophobicContact CB-CD2 4.41Å; A392-F396 WeakPolarHBondContact O-CB 3.31Å; A392-F396 PolarHBondContact O-N 3.27Å
393	L	93.7	Very high	91.8	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-58.4	-47.7	175.5	-175.8	65.6	0	0	0	111.3	D389 V397 L398 Y461 E464	D389-L393 WeakPolarHBondContact O-CB 3.46Å; D389-L393 PolarHBondContact O-N 3.24Å; L393-V397 HydrophobicContact CD1-CB 4.18Å; L393-V397 HydrophobicContact CD1-CG2 4.24Å; L393-V397 VanDerWaalsContact O-CB 3.32Å; L393-V397 WeakPolarHBondContact O-CB 3.44Å; L393-V397 PolarHBondContact O-N 3.32Å; L393-V397 VanDerWaalsContact O-N 3.11Å; L393-L398 PolarHBondContact O-N 2.99Å; L393-Y461 HydrophobicContact CD1-CD1 3.84Å; L393-Y461 HydrophobicContact CD1-CE1 4.06Å; L393-E464 HydrophobicContact CD2-CB 4.45Å
394	T	94.6	Very high	92	Very high	28 Å²	28	33.9 Å²	33.9	17%	0.172	19%	0.188	C	C	.	.	I	π-helix	trans	-64.1	-50.5	-178.9	-57.4	0	0	0	0	111.3	V390 K391 A392 L398 I399 R465	V390-T394 VanDerWaalsContact O-CB 3.31Å; V390-T394 WeakPolarHBondContact O-CB 3.46Å; V390-T394 PolarHBondContact O-N 3.42Å; V390-T394 PolarHBondContact O-OG1 2.91Å; K391-T394 PolarHBondContact O-N 3.28Å; A392-T394 PolarHBondContact O-N 2.72Å; T394-L398 PolarHBondContact O-N 2.67Å; T394-I399 HydrophobicContact CG2-CD1 4.01Å; T394-I399 HydrophobicContact CG2-CG1 4.22Å; T394-I399 WeakPolarHBondContact O-CB 3.25Å; T394-I399 WeakPolarHBondContact O-CG1 3.38Å; T394-I399 PolarHBondContact O-N 2.54Å; T394-R465 WeakPolarHBondContact OG1-CD 3.5Å; T394-R465 PolarHBondContact OG1-NE 2.78Å; T394-R465 VanDerWaalsContact OG1-NE 3.12Å
395	G	95.8	Very high	92.1	Very high	35 Å²	35	33.6 Å²	33.6	36%	0.361	19%	0.188	S	C	.	.	I	π-helix	trans	-71.6	-41.7	-174	0	0	0	0	0	114.3	K391 P400	K391-G395 PolarHBondContact O-N 3.19Å; G395-P400 VanDerWaalsContact O-CD 3.25Å; G395-P400 WeakPolarHBondContact O-CD 3.27Å; G395-P400 WeakPolarHBondContact O-CG 3.44Å
396	F	96.9	Very high	92.5	Very high	26 Å²	26	39 Å²	39	11%	0.114	22%	0.216	C	C	.	.	I	π-helix	trans	-97.3	-20.5	-171.9	-68.8	-69.9	0	0	0	114.5	Y316 M320 K364 M367 I368 M371 V385 A392	Y316-F396 PolarHBondContact OH-O 3.47Å; M320-F396 WeakPolarHBondContact CE-O 3.25Å; K364-F396 WeakPolarHBondContact CE-O 3.5Å; K364-F396 PolarHBondContact NZ-O 3.19Å; M367-F396 HydrophobicContact CB-CE1 4.04Å; M367-F396 HydrophobicContact CB-CZ 4.39Å; I368-F396 HydrophobicContact CD1-CB 3.77Å; I368-F396 HydrophobicContact CD1-CD1 3.89Å; I368-F396 HydrophobicContact CD1-CD2 4.48Å; I368-F396 HydrophobicContact CD1-CG 3.8Å; I368-F396 HydrophobicContact CG1-CB 4.1Å; I368-F396 HydrophobicContact CG1-CD1 3.6Å; I368-F396 HydrophobicContact CG1-CD2 3.86Å; I368-F396 HydrophobicContact CG1-CE1 3.94Å; I368-F396 HydrophobicContact CG1-CE2 4.18Å; I368-F396 HydrophobicContact CG1-CG 3.57Å; I368-F396 HydrophobicContact CG1-CZ 4.22Å; M371-F396 HydrophobicContact CE-CE2 4.2Å; M371-F396 HydrophobicContact CE-CZ 4.4Å; M371-F396 HydrophobicContact SD-CE2 3.81Å; M371-F396 HydrophobicContact SD-CZ 3.5Å; M371-F396 WeakPolarHBondContact SD-CZ 3.43Å; V385-F396 HydrophobicContact CG2-CB 4.32Å; V385-F396 HydrophobicContact CG2-CD2 4.49Å; A392-F396 HydrophobicContact CB-CD2 4.41Å; A392-F396 WeakPolarHBondContact O-CB 3.31Å; A392-F396 PolarHBondContact O-N 3.27Å
397	V	96.6	Very high	93.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-115.7	-64	-177.1	-174.1	0	0	0	0	111	Y316 M320 Y384 V385 L393 P400 L401 Y461	Y316-V397 HydrophobicContact CE2-CG2 4.13Å; M320-V397 HydrophobicContact CE-CB 4.41Å; M320-V397 HydrophobicContact CE-CG1 4.31Å; M320-V397 HydrophobicContact CE-CG2 4.31Å; Y384-V397 HydrophobicContact CE1-CG2 3.95Å; V385-V397 HydrophobicContact CG1-CG2 3.34Å; L393-V397 HydrophobicContact CD1-CB 4.18Å; L393-V397 HydrophobicContact CD1-CG2 4.24Å; L393-V397 VanDerWaalsContact O-CB 3.32Å; L393-V397 WeakPolarHBondContact O-CB 3.44Å; L393-V397 PolarHBondContact O-N 3.32Å; L393-V397 VanDerWaalsContact O-N 3.11Å; V397-P400 WeakPolarHBondContact O-CD 3.09Å; V397-L401 HydrophobicContact CG1-CD1 3.71Å; V397-L401 HydrophobicContact CG1-CG 4.47Å; V397-L401 WeakPolarHBondContact O-CB 3.23Å; V397-L401 VanDerWaalsContact O-CG 3.23Å; V397-L401 WeakPolarHBondContact O-CG 3.38Å; V397-L401 PolarHBondContact O-N 3.38Å; V397-Y461 HydrophobicContact CG1-CD1 4.47Å; V397-Y461 HydrophobicContact CG1-CD2 3.95Å; V397-Y461 HydrophobicContact CG1-CE1 4.19Å; V397-Y461 HydrophobicContact CG1-CE2 3.64Å; V397-Y461 HydrophobicContact CG1-CG 4.36Å
398	L	96.8	Very high	94.7	Very high	15 Å²	15	41 Å²	41	8%	0.079	22%	0.222	C	C	.	.	I	π-helix	trans	-65.9	-50.4	-168.5	-173.5	66.2	0	0	0	112.9	L393 T394 S402 I458 F462	L393-L398 PolarHBondContact O-N 2.99Å; T394-L398 PolarHBondContact O-N 2.67Å; L398-S402 VanDerWaalsContact O-CB 3.31Å; L398-S402 WeakPolarHBondContact O-CB 3.41Å; L398-S402 PolarHBondContact O-N 2.94Å; L398-S402 PolarHBondContact O-OG 3.21Å; L398-I458 HydrophobicContact CD1-CG2 3.94Å; L398-F462 HydrophobicContact CD2-CD2 4.19Å
399	I	97.5	Very high	95.8	Very high	93 Å²	93	41.1 Å²	41.1	48%	0.477	23%	0.225	S	C	.	.	H	α-helix	trans	-60.5	-53.2	179.5	-70.8	169.4	0	0	0	110.6	T394 L401 S402 C403	T394-I399 HydrophobicContact CG2-CD1 4.01Å; T394-I399 HydrophobicContact CG2-CG1 4.22Å; T394-I399 WeakPolarHBondContact O-CB 3.25Å; T394-I399 WeakPolarHBondContact O-CG1 3.38Å; T394-I399 PolarHBondContact O-N 2.54Å; I399-L401 PolarHBondContact O-N 3.38Å; I399-S402 PolarHBondContact O-N 3.23Å; I399-C403 PolarHBondContact O-N 3.24Å; I399-C403 PolarHBondContact O-SG 3.02Å
400	P	97.9	Very high	96.3	Very high	17 Å²	17	41.9 Å²	41.9	11%	0.11	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-44.9	179.2	-28.7	37.9	0	0	0	114	K364 G395 V397 S402 C403 Y404	K364-P400 VanDerWaalsContact NZ-CG 3.35Å; G395-P400 VanDerWaalsContact O-CD 3.25Å; G395-P400 WeakPolarHBondContact O-CD 3.27Å; G395-P400 WeakPolarHBondContact O-CG 3.44Å; V397-P400 WeakPolarHBondContact O-CD 3.09Å; P400-S402 VanDerWaalsContact C-N 3.31Å; P400-S402 PolarHBondContact O-N 2.89Å; P400-C403 PolarHBondContact O-N 2.75Å; P400-Y404 HydrophobicContact CB-CE2 4.11Å; P400-Y404 WeakPolarHBondContact O-CD1 3.41Å; P400-Y404 VanDerWaalsContact O-CD2 3.27Å; P400-Y404 WeakPolarHBondContact O-CD2 3.41Å; P400-Y404 PolarHBondContact O-N 2.74Å
401	L	97.9	Very high	96.6	Very high	23 Å²	23	42.9 Å²	42.9	12%	0.12	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-39.8	178.7	-70.6	179.5	0	0	0	111.6	M320 S323 V397 I399 Y404 L405 I458 Y461	M320-L401 HydrophobicContact CE-CG 4.44Å; M320-L401 HydrophobicContact SD-CD2 4.24Å; S323-L401 WeakPolarHBondContact OG-CD2 3.39Å; V397-L401 HydrophobicContact CG1-CD1 3.71Å; V397-L401 HydrophobicContact CG1-CG 4.47Å; V397-L401 WeakPolarHBondContact O-CB 3.23Å; V397-L401 VanDerWaalsContact O-CG 3.23Å; V397-L401 WeakPolarHBondContact O-CG 3.38Å; V397-L401 PolarHBondContact O-N 3.38Å; I399-L401 PolarHBondContact O-N 3.38Å; L401-Y404 HydrophobicContact CD2-CD2 4.44Å; L401-Y404 PolarHBondContact O-N 3.19Å; L401-L405 WeakPolarHBondContact O-CB 3.46Å; L401-L405 PolarHBondContact O-N 2.81Å; L401-I458 HydrophobicContact CB-CD1 4.18Å; L401-I458 HydrophobicContact CB-CG1 4.04Å; L401-Y461 HydrophobicContact CD1-CD2 4.19Å; L401-Y461 HydrophobicContact CD1-CE2 3.96Å
402	S	98.3	Very high	96.7	Very high	33 Å²	33	34.8 Å²	34.8	23%	0.231	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-45.3	175.6	-56.2	0	0	0	0	111.4	L398 I399 P400 Y404 L405 I406	L398-S402 VanDerWaalsContact O-CB 3.31Å; L398-S402 WeakPolarHBondContact O-CB 3.41Å; L398-S402 PolarHBondContact O-N 2.94Å; L398-S402 PolarHBondContact O-OG 3.21Å; I399-S402 PolarHBondContact O-N 3.23Å; P400-S402 VanDerWaalsContact C-N 3.31Å; P400-S402 PolarHBondContact O-N 2.89Å; S402-Y404 PolarHBondContact O-N 3.14Å; S402-L405 PolarHBondContact O-N 3Å; S402-I406 WeakPolarHBondContact O-CB 3.49Å; S402-I406 VanDerWaalsContact O-CG1 3.25Å; S402-I406 WeakPolarHBondContact O-CG1 3.41Å; S402-I406 PolarHBondContact O-N 2.81Å
403	C	98.4	Very high	96.7	Very high	59 Å²	59	40.2 Å²	40.2	40%	0.399	23%	0.228	S	C	.	.	H	α-helix	trans	-59.9	-45.6	175.2	-68.1	0	0	0	0	111.9	I399 P400 L405 I406 I407	I399-C403 PolarHBondContact O-N 3.24Å; I399-C403 PolarHBondContact O-SG 3.02Å; P400-C403 PolarHBondContact O-N 2.75Å; C403-L405 PolarHBondContact O-N 3.19Å; C403-I406 PolarHBondContact O-N 3.06Å; C403-I407 WeakPolarHBondContact O-CB 3.44Å; C403-I407 WeakPolarHBondContact O-CD1 3.44Å; C403-I407 VanDerWaalsContact O-CG1 3.23Å; C403-I407 WeakPolarHBondContact O-CG1 3.3Å; C403-I407 PolarHBondContact O-N 3.29Å
404	Y	98.3	Very high	96.7	Very high	26 Å²	26	42.6 Å²	42.6	10%	0.102	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-46.6	177.4	-60.1	-22.1	0	0	0	111.1	M320 L324 W326 V327 I360 P400 L401 S402 I406 I407 G408	M320-Y404 HydrophobicContact SD-CE2 4.3Å; L324-Y404 HydrophobicContact CD2-CD1 3.94Å; L324-Y404 HydrophobicContact CD2-CE1 3.58Å; L324-Y404 HydrophobicContact CD2-CE2 4.33Å; L324-Y404 HydrophobicContact CD2-CG 4.48Å; L324-Y404 HydrophobicContact CG-CE1 4.25Å; L324-Y404 HydrophobicContact CG-CE2 4.12Å; W326-Y404 WeakPolarHBondContact CZ3-O 3.38Å; V327-Y404 HydrophobicContact CG2-CG 4.47Å; V327-Y404 WeakPolarHBondContact CG2-O 3.04Å; I360-Y404 WeakPolarHBondContact CG2-OH 3.29Å; P400-Y404 HydrophobicContact CB-CE2 4.11Å; P400-Y404 WeakPolarHBondContact O-CD1 3.41Å; P400-Y404 VanDerWaalsContact O-CD2 3.27Å; P400-Y404 WeakPolarHBondContact O-CD2 3.41Å; P400-Y404 PolarHBondContact O-N 2.74Å; L401-Y404 HydrophobicContact CD2-CD2 4.44Å; L401-Y404 PolarHBondContact O-N 3.19Å; S402-Y404 PolarHBondContact O-N 3.14Å; Y404-I406 PolarHBondContact O-N 3.49Å; Y404-I407 PolarHBondContact O-N 3.21Å; Y404-G408 PolarHBondContact O-N 2.69Å
405	L	97.9	Very high	96.5	Very high	27 Å²	27	41.2 Å²	41.2	14%	0.141	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-46.6	177.7	-175.9	68.6	0	0	0	111.9	W326 L401 S402 C403 G408 T409 A454 T455 I458	W326-L405 HydrophobicContact CH2-CD1 3.98Å; W326-L405 HydrophobicContact CZ3-CD1 4.38Å; L401-L405 WeakPolarHBondContact O-CB 3.46Å; L401-L405 PolarHBondContact O-N 2.81Å; S402-L405 PolarHBondContact O-N 3Å; C403-L405 PolarHBondContact O-N 3.19Å; L405-G408 PolarHBondContact O-N 2.95Å; L405-T409 HydrophobicContact CD1-CG2 4.01Å; L405-T409 HydrophobicContact CG-CG2 4.28Å; L405-T409 VanDerWaalsContact O-CB 3.29Å; L405-T409 WeakPolarHBondContact O-CB 3.29Å; L405-T409 VanDerWaalsContact O-CG2 3.23Å; L405-T409 WeakPolarHBondContact O-CG2 3.28Å; L405-T409 PolarHBondContact O-N 3.15Å; L405-T409 PolarHBondContact O-OG1 2.9Å; L405-A454 HydrophobicContact CD1-CB 4.03Å; L405-T455 HydrophobicContact CD1-CG2 4.38Å; L405-T455 HydrophobicContact CD2-CG2 3.5Å; L405-I458 HydrophobicContact CB-CD1 4.03Å; L405-I458 HydrophobicContact CD2-CD1 3.67Å; L405-I458 HydrophobicContact CG-CD1 4.45Å
406	I	98.4	Very high	96.2	Very high	113 Å²	113	42.9 Å²	42.9	58%	0.579	24%	0.235	S	C	*	.	H	α-helix	trans	-61.6	-47	178.3	-68.6	165	0	0	0	110.8	S402 C403 Y404 T409 S410	S402-I406 WeakPolarHBondContact O-CB 3.49Å; S402-I406 VanDerWaalsContact O-CG1 3.25Å; S402-I406 WeakPolarHBondContact O-CG1 3.41Å; S402-I406 PolarHBondContact O-N 2.81Å; C403-I406 PolarHBondContact O-N 3.06Å; Y404-I406 PolarHBondContact O-N 3.49Å; I406-T409 WeakPolarHBondContact CA-OG1 3.02Å; I406-T409 PolarHBondContact O-OG1 3.01Å; I406-S410 WeakPolarHBondContact O-CB 3.39Å; I406-S410 PolarHBondContact O-N 3.37Å
407	I	98.2	Very high	95.8	Very high	76 Å²	76	46.7 Å²	46.7	39%	0.39	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-50.3	179.8	-68.2	164.2	0	0	0	110.2	V327 C403 Y404 T409 S410 F411	V327-I407 HydrophobicContact CG1-CG2 3.8Å; C403-I407 WeakPolarHBondContact O-CB 3.44Å; C403-I407 WeakPolarHBondContact O-CD1 3.44Å; C403-I407 VanDerWaalsContact O-CG1 3.23Å; C403-I407 WeakPolarHBondContact O-CG1 3.3Å; C403-I407 PolarHBondContact O-N 3.29Å; Y404-I407 PolarHBondContact O-N 3.21Å; I407-T409 PolarHBondContact O-N 3.32Å; I407-S410 PolarHBondContact O-N 2.87Å; I407-S410 PolarHBondContact O-OG 2.75Å; I407-F411 HydrophobicContact CG2-CD2 4.05Å; I407-F411 HydrophobicContact CG2-CE2 3.49Å; I407-F411 VanDerWaalsContact CG2-CE2 3.49Å; I407-F411 HydrophobicContact CG2-CZ 4.22Å; I407-F411 WeakPolarHBondContact O-CD2 3.35Å; I407-F411 PolarHBondContact O-N 3.4Å
408	G	97.1	Very high	95.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.4	-37.7	-177.8	0	0	0	0	0	113.2	T330 Y404 L405 S410 F411 L412	T330-G408 WeakPolarHBondContact CB-O 3.48Å; T330-G408 VanDerWaalsContact OG1-CA 3.24Å; T330-G408 WeakPolarHBondContact OG1-CA 3.34Å; T330-G408 PolarHBondContact OG1-O 2.99Å; Y404-G408 PolarHBondContact O-N 2.69Å; L405-G408 PolarHBondContact O-N 2.95Å; G408-S410 VanDerWaalsContact C-N 3.34Å; G408-S410 PolarHBondContact O-N 2.93Å; G408-F411 PolarHBondContact O-N 3.46Å; G408-L412 WeakPolarHBondContact O-CG 3.32Å; G408-L412 PolarHBondContact O-N 2.92Å
409	T	96.5	Very high	94.6	Very high	40 Å²	40	47.5 Å²	47.5	25%	0.245	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-38.4	172.9	52.2	0	0	0	0	111.5	W326 L405 I406 I407 F411 L412 L413 T451	W326-T409 HydrophobicContact CH2-CG2 4.22Å; L405-T409 HydrophobicContact CD1-CG2 4.01Å; L405-T409 HydrophobicContact CG-CG2 4.28Å; L405-T409 VanDerWaalsContact O-CB 3.29Å; L405-T409 WeakPolarHBondContact O-CB 3.29Å; L405-T409 VanDerWaalsContact O-CG2 3.23Å; L405-T409 WeakPolarHBondContact O-CG2 3.28Å; L405-T409 PolarHBondContact O-N 3.15Å; L405-T409 PolarHBondContact O-OG1 2.9Å; I406-T409 WeakPolarHBondContact CA-OG1 3.02Å; I406-T409 PolarHBondContact O-OG1 3.01Å; I407-T409 PolarHBondContact O-N 3.32Å; T409-F411 VanDerWaalsContact C-N 3.3Å; T409-F411 PolarHBondContact O-N 2.88Å; T409-L412 WeakPolarHBondContact O-CB 3.44Å; T409-L412 PolarHBondContact O-N 2.95Å; T409-L413 WeakPolarHBondContact O-CD1 3.45Å; T409-L413 PolarHBondContact O-N 3.02Å; T409-T451 HydrophobicContact CG2-CG2 3.97Å
410	S	97	Very high	93.9	Very high	54 Å²	54	49.5 Å²	49.5	38%	0.378	27%	0.272	S	S	.	.	H	α-helix	trans	-60.2	-38.5	175.9	80	0	0	0	0	112.7	I406 I407 G408 S414	I406-S410 WeakPolarHBondContact O-CB 3.39Å; I406-S410 PolarHBondContact O-N 3.37Å; I407-S410 PolarHBondContact O-N 2.87Å; I407-S410 PolarHBondContact O-OG 2.75Å; G408-S410 VanDerWaalsContact C-N 3.34Å; G408-S410 PolarHBondContact O-N 2.93Å; S410-S414 WeakPolarHBondContact O-CB 3.46Å; S410-S414 PolarHBondContact O-N 3.48Å; S410-S414 PolarHBondContact O-OG 3.36Å
411	F	96.3	Very high	93.1	Very high	50 Å²	50	54.4 Å²	54.4	22%	0.219	29%	0.293	C	S	.	.	H	α-helix	trans	-68.5	-39.1	172.6	-67.7	-46.2	0	0	0	112.2	V327 L331 F334 I407 G408 T409 S414 G415	V327-F411 HydrophobicContact CG1-CE2 4.45Å; L331-F411 HydrophobicContact CB-CD2 3.99Å; L331-F411 HydrophobicContact CB-CE2 4.02Å; L331-F411 HydrophobicContact CD1-CD1 4.29Å; L331-F411 HydrophobicContact CD1-CD2 4.44Å; L331-F411 HydrophobicContact CD1-CE1 3.91Å; L331-F411 HydrophobicContact CD1-CE2 4.05Å; L331-F411 HydrophobicContact CD1-CZ 3.78Å; L331-F411 HydrophobicContact CG-CE2 4.5Å; F334-F411 HydrophobicContact CB-CB 4.18Å; F334-F411 HydrophobicContact CD1-CD1 4.09Å; F334-F411 HydrophobicContact CG-CD1 4.41Å; I407-F411 HydrophobicContact CG2-CD2 4.05Å; I407-F411 HydrophobicContact CG2-CE2 3.49Å; I407-F411 VanDerWaalsContact CG2-CE2 3.49Å; I407-F411 HydrophobicContact CG2-CZ 4.22Å; I407-F411 WeakPolarHBondContact O-CD2 3.35Å; I407-F411 PolarHBondContact O-N 3.4Å; G408-F411 PolarHBondContact O-N 3.46Å; T409-F411 VanDerWaalsContact C-N 3.3Å; T409-F411 PolarHBondContact O-N 2.88Å; F411-S414 PolarHBondContact O-N 3.21Å; F411-G415 PolarHBondContact O-N 2.86Å
412	L	93.8	Very high	92	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.037	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-50.8	174.9	-73.8	173.4	0	0	0	111.8	W326 T330 W333 G408 T409 S414 G415 F416 V448 T451	W326-L412 HydrophobicContact CZ2-CD1 3.91Å; T330-L412 HydrophobicContact CG2-CD1 3.86Å; T330-L412 HydrophobicContact CG2-CD2 3.9Å; T330-L412 HydrophobicContact CG2-CG 3.62Å; W333-L412 HydrophobicContact CE3-CD2 3.94Å; W333-L412 HydrophobicContact CZ3-CD2 3.95Å; W333-L412 VanDerWaalsContact CZ3-O 3.31Å; W333-L412 WeakPolarHBondContact CZ3-O 3.26Å; G408-L412 WeakPolarHBondContact O-CG 3.32Å; G408-L412 PolarHBondContact O-N 2.92Å; T409-L412 WeakPolarHBondContact O-CB 3.44Å; T409-L412 PolarHBondContact O-N 2.95Å; L412-S414 VanDerWaalsContact C-N 3.33Å; L412-S414 PolarHBondContact O-N 3.07Å; L412-G415 PolarHBondContact O-N 2.95Å; L412-F416 WeakPolarHBondContact O-CD2 3.37Å; L412-F416 PolarHBondContact O-N 3.05Å; L412-V448 HydrophobicContact CD1-CG2 4.35Å; L412-T451 HydrophobicContact CD1-CG2 3.94Å
413	L	93.4	Very high	90.9	Very high	117 Å²	117	57.3 Å²	57.3	61%	0.613	30%	0.299	S	S	*	.	H	α-helix	trans	-57.6	-47.9	177.1	-83.2	90.5	0	0	0	111	T409 G415 F416 V417	T409-L413 WeakPolarHBondContact O-CD1 3.45Å; T409-L413 PolarHBondContact O-N 3.02Å; L413-G415 VanDerWaalsContact C-N 3.33Å; L413-G415 PolarHBondContact O-N 3.34Å; L413-F416 PolarHBondContact O-N 3.12Å; L413-V417 WeakPolarHBondContact O-CG2 3.41Å; L413-V417 PolarHBondContact O-N 2.98Å
414	S	93	Very high	89.6	Confident	55 Å²	55	62.7 Å²	62.7	39%	0.385	32%	0.316	S	S	.	.	H	α-helix	trans	-60.5	-41.2	179.3	-57.1	0	0	0	0	112.3	S410 F411 L412 A418	S410-S414 WeakPolarHBondContact O-CB 3.46Å; S410-S414 PolarHBondContact O-N 3.48Å; S410-S414 PolarHBondContact O-OG 3.36Å; F411-S414 PolarHBondContact O-N 3.21Å; L412-S414 VanDerWaalsContact C-N 3.33Å; L412-S414 PolarHBondContact O-N 3.07Å; S414-A418 PolarHBondContact O-N 3.4Å; S414-A418 VanDerWaalsContact O-N 3.1Å
415	G	90.4	Very high	88.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-72.9	-33.3	178.5	0	0	0	0	0	113	W333 F411 L412 L413 A418 L419	W333-G415 VanDerWaalsContact CH2-C 3.42Å; F411-G415 PolarHBondContact O-N 2.86Å; L412-G415 PolarHBondContact O-N 2.95Å; L413-G415 VanDerWaalsContact C-N 3.33Å; L413-G415 PolarHBondContact O-N 3.34Å; G415-A418 PolarHBondContact O-N 2.72Å; G415-L419 WeakPolarHBondContact O-CB 3.42Å; G415-L419 WeakPolarHBondContact O-CG 3.31Å; G415-L419 PolarHBondContact O-N 2.74Å
416	F	89.6	Confident	86.6	Confident	70 Å²	70	67.1 Å²	67.1	31%	0.307	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-48	172.4	-87.4	-69.4	0	0	0	111.3	W333 L412 L413 A418 L419 F420 V448	W333-F416 HydrophobicContact CH2-CB 4.48Å; W333-F416 HydrophobicContact CH2-CD1 4.32Å; W333-F416 AromaticContact CH2-CD2 3.84Å; W333-F416 HydrophobicContact CH2-CD2 3.84Å; W333-F416 HydrophobicContact CH2-CE2 4.04Å; W333-F416 AromaticContact CH2-CG 3.96Å; W333-F416 HydrophobicContact CH2-CG 3.96Å; W333-F416 HydrophobicContact CH2-CZ 4.38Å; W333-F416 HydrophobicContact CZ3-CD2 4.48Å; L412-F416 WeakPolarHBondContact O-CD2 3.37Å; L412-F416 PolarHBondContact O-N 3.05Å; L413-F416 PolarHBondContact O-N 3.12Å; F416-A418 VanDerWaalsContact C-N 3.27Å; F416-A418 PolarHBondContact O-N 3.24Å; F416-L419 PolarHBondContact O-N 3.08Å; F416-F420 HydrophobicContact CD1-CE2 4.43Å; F416-F420 WeakPolarHBondContact O-CD2 3.31Å; F416-F420 PolarHBondContact O-N 2.95Å; F416-V448 HydrophobicContact CE2-CG2 3.49Å; F416-V448 VanDerWaalsContact CE2-CG2 3.49Å; F416-V448 HydrophobicContact CZ-CG2 3.74Å
417	V	89.6	Confident	84.8	Confident	105 Å²	105	71.1 Å²	71.1	64%	0.636	35%	0.353	S	S	*	.	H	α-helix	trans	-56.4	-45	176.4	172.5	0	0	0	0	110.5	L413 F420 H421	L413-V417 WeakPolarHBondContact O-CG2 3.41Å; L413-V417 PolarHBondContact O-N 2.98Å; V417-F420 PolarHBondContact O-N 2.03Å; V417-H421 PolarHBondContact O-N 2.96Å
418	A	86.1	Confident	83.1	Confident	21 Å²	21	73.1 Å²	73.1	17%	0.174	37%	0.369	C	S	.	.	H	α-helix	trans	-68.6	-37.3	179.5	0	0	0	0	0	113.3	S414 G415 F416 H421 I422	S414-A418 PolarHBondContact O-N 3.4Å; S414-A418 VanDerWaalsContact O-N 3.1Å; G415-A418 PolarHBondContact O-N 2.72Å; F416-A418 VanDerWaalsContact C-N 3.27Å; F416-A418 PolarHBondContact O-N 3.24Å; A418-H421 PolarHBondContact O-N 3.4Å; A418-I422 WeakPolarHBondContact O-CB 3.48Å; A418-I422 VanDerWaalsContact O-CG1 3.24Å; A418-I422 WeakPolarHBondContact O-CG1 3.42Å; A418-I422 PolarHBondContact O-N 3.48Å
419	L	82.2	Confident	81.2	Confident	11 Å²	11	80.6 Å²	80.6	6%	0.058	40%	0.404	C	S	.	.	H	α-helix	trans	-61.4	-42.3	173	-77.8	178.3	0	0	0	112.1	W333 A337 G415 F416 I422 R423 M440	W333-L419 HydrophobicContact CH2-CD1 3.98Å; W333-L419 HydrophobicContact CZ2-CD1 3.35Å; W333-L419 HydrophobicContact CZ2-CG 4.41Å; A337-L419 HydrophobicContact CB-CD1 4.44Å; A337-L419 HydrophobicContact CB-CD2 3.75Å; A337-L419 HydrophobicContact CB-CG 3.81Å; G415-L419 WeakPolarHBondContact O-CB 3.42Å; G415-L419 WeakPolarHBondContact O-CG 3.31Å; G415-L419 PolarHBondContact O-N 2.74Å; F416-L419 PolarHBondContact O-N 3.08Å; L419-I422 PolarHBondContact O-N 3.42Å; L419-R423 VanDerWaalsContact O-CB 3.31Å; L419-R423 WeakPolarHBondContact O-CB 3.42Å; L419-R423 VanDerWaalsContact O-CG 3.26Å; L419-R423 WeakPolarHBondContact O-CG 3.49Å; L419-R423 PolarHBondContact O-N 3.3Å; L419-M440 HydrophobicContact CD2-CE 3.93Å
420	F	82.6	Confident	79.3	Confident	135 Å²	135	82.5 Å²	82.5	59%	0.592	43%	0.431	S	S	*	.	H	α-helix	trans	-65.1	-41.4	176.5	-77.8	-65.9	0	0	0	112	F416 V417 K424	F416-F420 HydrophobicContact CD1-CE2 4.43Å; F416-F420 WeakPolarHBondContact O-CD2 3.31Å; F416-F420 PolarHBondContact O-N 2.95Å; V417-F420 PolarHBondContact O-N 2.03Å; F420-K424 WeakPolarHBondContact O-CB 3.16Å; F420-K424 PolarHBondContact O-N 3.45Å
421	H	81.3	Confident	77.6	Confident	120 Å²	120	87.1 Å²	87.1	56%	0.556	45%	0.447	S	S	*	.	H	α-helix	trans	-61	-44.8	175.4	-173.9	-88.4	0	0	0	111.7	V417 A418 K424 I425	V417-H421 PolarHBondContact O-N 2.96Å; A418-H421 PolarHBondContact O-N 3.4Å; H421-K424 PolarHBondContact O-N 3.36Å; H421-I425 WeakPolarHBondContact CE1-CD1 3.32Å; H421-I425 WeakPolarHBondContact O-CG1 2.99Å; H421-I425 PolarHBondContact O-N 3.2Å
422	I	74.6	Confident	76.1	Confident	26 Å²	26	92.5 Å²	92.5	13%	0.133	48%	0.478	C	S	.	.	H	α-helix	trans	-68.1	-44.8	179.6	-71.9	168.7	0	0	0	111.5	A337 K340 A418 L419 K424 I425 M426	A337-I422 WeakPolarHBondContact O-CD1 3.45Å; K340-I422 HydrophobicContact CG-CD1 4.37Å; A418-I422 WeakPolarHBondContact O-CB 3.48Å; A418-I422 VanDerWaalsContact O-CG1 3.24Å; A418-I422 WeakPolarHBondContact O-CG1 3.42Å; A418-I422 PolarHBondContact O-N 3.48Å; L419-I422 PolarHBondContact O-N 3.42Å; I422-K424 PolarHBondContact O-N 3.06Å; I422-I425 PolarHBondContact O-N 3.17Å; I422-M426 HydrophobicContact CG2-CG 3.86Å; I422-M426 HydrophobicContact CG2-SD 3.15Å; I422-M426 WeakPolarHBondContact CG2-SD 2.92Å; I422-M426 WeakPolarHBondContact O-CB 3.43Å; I422-M426 WeakPolarHBondContact O-CG 3.46Å; I422-M426 PolarHBondContact O-N 2.93Å
423	R	73.5	Confident	74.8	Confident	91 Å²	91	93.9 Å²	93.9	34%	0.343	49%	0.487	S	S	.	.	H	α-helix	trans	-59.4	-34.8	175.7	-79.6	171.2	159.4	-173.1	-16	112.9	L419 I425 K427 E437	L419-R423 VanDerWaalsContact O-CB 3.31Å; L419-R423 WeakPolarHBondContact O-CB 3.42Å; L419-R423 VanDerWaalsContact O-CG 3.26Å; L419-R423 WeakPolarHBondContact O-CG 3.49Å; L419-R423 PolarHBondContact O-N 3.3Å; R423-I425 VanDerWaalsContact C-N 3.32Å; R423-K427 PolarHBondContact O-N 2.85Å; R423-E437 IonicContact CZ-OE1 3.86Å; R423-E437 IonicContact NE-OE1 3.88Å; R423-E437 PolarHBondContact NE-OE1 2.92Å; R423-E437 IonicContact NH2-OE1 2.91Å; R423-E437 PolarHBondContact NH2-OE1 2.84Å
424	K	72.8	Confident	73.9	Confident	173 Å²	173	92.7 Å²	92.7	75%	0.752	48%	0.481	S	S	*	.	H	α-helix	trans	-64.7	-37.5	175	-172.2	177.4	178.5	-179.2	0	111.6	F420 H421 I422	F420-K424 WeakPolarHBondContact O-CB 3.16Å; F420-K424 PolarHBondContact O-N 3.45Å; H421-K424 PolarHBondContact O-N 3.36Å; I422-K424 PolarHBondContact O-N 3.06Å
425	I	72.1	Confident	73.1	Confident	83 Å²	83	98.8 Å²	98.8	43%	0.426	50%	0.5	S	S	.	.	H	α-helix	trans	-82.7	-45	-178.2	-63.8	170.3	0	0	0	111.7	H421 I422 R423 K427 T428	H421-I425 WeakPolarHBondContact CE1-CD1 3.32Å; H421-I425 WeakPolarHBondContact O-CG1 2.99Å; H421-I425 PolarHBondContact O-N 3.2Å; I422-I425 PolarHBondContact O-N 3.17Å; R423-I425 VanDerWaalsContact C-N 3.32Å; I425-K427 VanDerWaalsContact C-N 3.28Å; I425-K427 PolarHBondContact O-N 3.24Å; I425-T428 WeakPolarHBondContact O-CB 3.45Å; I425-T428 PolarHBondContact O-N 3.29Å; I425-T428 VanDerWaalsContact O-N 3.11Å; I425-T428 PolarHBondContact O-OG1 3.01Å
426	M	60.9	Low	72.3	Confident	63 Å²	63	103.8 Å²	103.8	31%	0.31	53%	0.527	S	S	.	.	H	α-helix	trans	-69.4	-21.4	-174.4	-73.1	179.2	59.5	0	0	114.2	I422 T428 E429 T433	I422-M426 HydrophobicContact CG2-CG 3.86Å; I422-M426 HydrophobicContact CG2-SD 3.15Å; I422-M426 WeakPolarHBondContact CG2-SD 2.92Å; I422-M426 WeakPolarHBondContact O-CB 3.43Å; I422-M426 WeakPolarHBondContact O-CG 3.46Å; I422-M426 PolarHBondContact O-N 2.93Å; M426-T428 PolarHBondContact O-N 3.25Å; M426-E429 PolarHBondContact O-N 3.48Å; M426-E429 VanDerWaalsContact O-N 3.16Å; M426-T433 VanDerWaalsContact CE-CB 3.42Å; M426-T433 HydrophobicContact CE-CG2 3.6Å; M426-T433 WeakPolarHBondContact CE-OG1 3.32Å
427	K	60.9	Low	71.7	Confident	196 Å²	196	103.2 Å²	103.2	85%	0.852	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-12.4	171.7	-131.8	177.8	-177.2	-176.6	0	113.1	R423 I425	R423-K427 PolarHBondContact O-N 2.85Å; I425-K427 VanDerWaalsContact C-N 3.28Å; I425-K427 PolarHBondContact O-N 3.24Å
428	T	61.6	Low	71.3	Confident	119 Å²	119	105.4 Å²	105.4	73%	0.73	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-17.1	-179	-18.2	0	0	0	0	113.4	I425 M426	I425-T428 WeakPolarHBondContact O-CB 3.45Å; I425-T428 PolarHBondContact O-N 3.29Å; I425-T428 VanDerWaalsContact O-N 3.11Å; I425-T428 PolarHBondContact O-OG1 3.01Å; M426-T428 PolarHBondContact O-N 3.25Å
429	E	57	Low	71	Confident	156 Å²	156	106.6 Å²	106.6	73%	0.729	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-2.6	-167.1	-74.7	-174	157.2	0	0	116.1	M426 E431	M426-E429 PolarHBondContact O-N 3.48Å; M426-E429 VanDerWaalsContact O-N 3.16Å; E429-E431 VanDerWaalsContact C-N 3.35Å; E429-E431 PolarHBondContact O-N 3.32Å; E429-E431 VanDerWaalsContact O-N 3.14Å
430	G	56.8	Low	70.9	Confident	80 Å²	80	107 Å²	107	83%	0.825	53%	0.531	S	S	*	.			trans	62.7	25.7	159.9	0	0	0	0	0	117.7
431	E	61.9	Low	71	Confident	152 Å²	152	102.8 Å²	102.8	71%	0.71	52%	0.516	S	S	*	.			trans	-96.2	148.8	179.4	-149.5	-172.6	-173.1	0	0	112.9	E429 T433	E429-E431 VanDerWaalsContact C-N 3.35Å; E429-E431 PolarHBondContact O-N 3.32Å; E429-E431 VanDerWaalsContact O-N 3.14Å; E431-T433 HydrophobicContact CB-CG2 4.33Å; E431-T433 PolarHBondContact O-N 3.49Å; E431-T433 PolarHBondContact O-OG1 3.46Å
432	N	63.1	Low	71.2	Confident	162 Å²	162	101.9 Å²	101.9	87%	0.866	51%	0.508	S	S	*	.	S	Bend	trans	-66.1	48.3	-177.6	-74.3	-52.9	0	0	0	114.9
433	T	67.9	Low	71.7	Confident	37 Å²	37	100.7 Å²	100.7	23%	0.227	50%	0.502	C	S	.	.			trans	-89	-3.7	-177.9	55.6	0	0	0	0	113.8	M426 E431 K435 L436 E437	M426-T433 VanDerWaalsContact CE-CB 3.42Å; M426-T433 HydrophobicContact CE-CG2 3.6Å; M426-T433 WeakPolarHBondContact CE-OG1 3.32Å; E431-T433 HydrophobicContact CB-CG2 4.33Å; E431-T433 PolarHBondContact O-N 3.49Å; E431-T433 PolarHBondContact O-OG1 3.46Å; T433-K435 PolarHBondContact O-N 2.02Å; T433-L436 PolarHBondContact O-N 3.06Å; T433-E437 PolarHBondContact O-N 3.08Å
434	D	73.7	Confident	72.3	Confident	92 Å²	92	96.3 Å²	96.3	49%	0.492	49%	0.485	S	S	.	.	H	α-helix	trans	-48.8	-36.2	-177.7	-70.3	-1.3	0	0	0	114.6	K438	D434-K438 VanDerWaalsContact O-CB 3.3Å; D434-K438 WeakPolarHBondContact O-CB 3.07Å; D434-K438 WeakPolarHBondContact O-CD 3.39Å; D434-K438 WeakPolarHBondContact O-CG 3Å; D434-K438 PolarHBondContact O-N 3.05Å
435	K	76.7	Confident	73.1	Confident	182 Å²	182	91.9 Å²	91.9	79%	0.791	47%	0.472	S	S	*	.	H	α-helix	trans	-69.7	-43	-179.9	-70.8	179.5	-177.5	168.4	0	111.7	T433 L439	T433-K435 PolarHBondContact O-N 2.02Å; K435-L439 WeakPolarHBondContact O-CB 3.11Å; K435-L439 PolarHBondContact O-N 3.39Å; K435-L439 VanDerWaalsContact O-N 3.11Å
436	L	72.9	Confident	73.7	Confident	106 Å²	106	88.5 Å²	88.5	56%	0.555	46%	0.455	S	S	*	.	H	α-helix	trans	-69.8	-41.9	179.1	-175.8	63.2	0	0	0	109.9	T433 L439 M440	T433-L436 PolarHBondContact O-N 3.06Å; L436-L439 WeakPolarHBondContact O-CB 3.29Å; L436-L439 PolarHBondContact O-N 3.05Å; L436-M440 HydrophobicContact CD1-SD 4.23Å; L436-M440 HydrophobicContact CD2-SD 4.43Å; L436-M440 HydrophobicContact CG-SD 3.77Å; L436-M440 WeakPolarHBondContact O-CG 3.34Å; L436-M440 PolarHBondContact O-N 3.36Å
437	E	76.9	Confident	75	Confident	58 Å²	58	85.5 Å²	85.5	27%	0.271	44%	0.44	S	S	.	.	H	α-helix	trans	-61.3	-48.6	175.8	-168.3	-169	155.5	0	0	111.9	R423 T433 L439 M440 V441	R423-E437 IonicContact CZ-OE1 3.86Å; R423-E437 IonicContact NE-OE1 3.88Å; R423-E437 PolarHBondContact NE-OE1 2.92Å; R423-E437 IonicContact NH2-OE1 2.91Å; R423-E437 PolarHBondContact NH2-OE1 2.84Å; T433-E437 PolarHBondContact O-N 3.08Å; E437-L439 VanDerWaalsContact C-N 3.25Å; E437-L439 PolarHBondContact O-N 2.88Å; E437-M440 PolarHBondContact O-N 3.09Å; E437-V441 HydrophobicContact CG-CG2 4.37Å; E437-V441 WeakPolarHBondContact O-CG2 3.45Å; E437-V441 PolarHBondContact O-N 3.2Å
438	K	81.9	Confident	76.3	Confident	150 Å²	150	78.8 Å²	78.8	65%	0.652	42%	0.415	S	S	*	.	H	α-helix	trans	-56.8	-41.6	175.7	-77.8	170.1	-176.1	169.3	0	111.4	D434 R442	D434-K438 VanDerWaalsContact O-CB 3.3Å; D434-K438 WeakPolarHBondContact O-CB 3.07Å; D434-K438 WeakPolarHBondContact O-CD 3.39Å; D434-K438 WeakPolarHBondContact O-CG 3Å; D434-K438 PolarHBondContact O-N 3.05Å; K438-R442 VanDerWaalsContact O-CB 3.25Å; K438-R442 WeakPolarHBondContact O-CB 3.43Å; K438-R442 PolarHBondContact O-N 3.31Å; K438-R442 VanDerWaalsContact O-N 3.07Å
439	L	79.1	Confident	77.7	Confident	47 Å²	47	78.3 Å²	78.3	25%	0.246	41%	0.408	C	S	.	.	H	α-helix	trans	-62.7	-48	177	176.9	60.4	0	0	0	111.5	E259 K435 L436 E437 R442 I443	E259-L439 HydrophobicContact CG-CD1 4.13Å; E259-L439 WeakPolarHBondContact OE1-CD1 3.38Å; E259-L439 WeakPolarHBondContact OE1-CD2 3.32Å; K435-L439 WeakPolarHBondContact O-CB 3.11Å; K435-L439 PolarHBondContact O-N 3.39Å; K435-L439 VanDerWaalsContact O-N 3.11Å; L436-L439 WeakPolarHBondContact O-CB 3.29Å; L436-L439 PolarHBondContact O-N 3.05Å; E437-L439 VanDerWaalsContact C-N 3.25Å; E437-L439 PolarHBondContact O-N 2.88Å; L439-R442 WeakPolarHBondContact O-CB 3.4Å; L439-R442 PolarHBondContact O-N 2.98Å; L439-I443 HydrophobicContact CD1-CD1 3.88Å; L439-I443 HydrophobicContact CD1-CG1 4.21Å; L439-I443 HydrophobicContact CG-CD1 3.92Å; L439-I443 WeakPolarHBondContact O-CG1 3.39Å; L439-I443 PolarHBondContact O-N 3.16Å
440	M	80.9	Confident	79.3	Confident	20 Å²	20	71.5 Å²	71.5	10%	0.099	38%	0.376	C	S	.	.	H	α-helix	trans	-66	-41.1	-177.8	-67.1	163.5	78.1	0	0	112.4	W333 A336 A337 L419 L436 E437 R442 I443 G444	W333-M440 PolarHBondContact NE1-O 2.95Å; A336-M440 HydrophobicContact CB-CE 4.4Å; A336-M440 WeakPolarHBondContact O-CE 3.14Å; A337-M440 HydrophobicContact CB-CE 3.65Å; L419-M440 HydrophobicContact CD2-CE 3.93Å; L436-M440 HydrophobicContact CD1-SD 4.23Å; L436-M440 HydrophobicContact CD2-SD 4.43Å; L436-M440 HydrophobicContact CG-SD 3.77Å; L436-M440 WeakPolarHBondContact O-CG 3.34Å; L436-M440 PolarHBondContact O-N 3.36Å; E437-M440 PolarHBondContact O-N 3.09Å; M440-R442 VanDerWaalsContact C-N 3.32Å; M440-R442 PolarHBondContact O-N 3.47Å; M440-I443 PolarHBondContact O-N 2.92Å; M440-G444 PolarHBondContact O-N 2.97Å
441	V	83.8	Confident	81.1	Confident	46 Å²	46	68.9 Å²	68.9	28%	0.279	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-45.5	174.5	173.7	0	0	0	0	110.4	E437 I443 G444 V445	E437-V441 HydrophobicContact CG-CG2 4.37Å; E437-V441 WeakPolarHBondContact O-CG2 3.45Å; E437-V441 PolarHBondContact O-N 3.2Å; V441-I443 VanDerWaalsContact C-N 3.35Å; V441-I443 PolarHBondContact O-N 3.07Å; V441-G444 PolarHBondContact O-N 3.36Å; V441-V445 HydrophobicContact CG1-CG2 4.49Å; V441-V445 WeakPolarHBondContact O-CG2 3.44Å; V441-V445 PolarHBondContact O-N 3.42Å
442	R	86.6	Confident	82.7	Confident	101 Å²	101	65.7 Å²	65.7	38%	0.381	33%	0.334	S	S	.	.	H	α-helix	trans	-59	-48.2	179.7	-153.7	-157.6	163.3	-175.8	-6	110	K438 L439 M440 G444 V445 F446 W520	K438-R442 VanDerWaalsContact O-CB 3.25Å; K438-R442 WeakPolarHBondContact O-CB 3.43Å; K438-R442 PolarHBondContact O-N 3.31Å; K438-R442 VanDerWaalsContact O-N 3.07Å; L439-R442 WeakPolarHBondContact O-CB 3.4Å; L439-R442 PolarHBondContact O-N 2.98Å; M440-R442 VanDerWaalsContact C-N 3.32Å; M440-R442 PolarHBondContact O-N 3.47Å; R442-G444 VanDerWaalsContact C-N 3.3Å; R442-G444 PolarHBondContact O-N 3.49Å; R442-V445 PolarHBondContact O-N 3.09Å; R442-F446 PolarHBondContact O-N 3.44Å; R442-W520 HydrophobicContact CB-CH2 3.52Å; R442-W520 HydrophobicContact CB-CZ2 4.4Å; R442-W520 HydrophobicContact CB-CZ3 4.2Å; R442-W520 HydrophobicContact CG-CH2 3.16Å; R442-W520 HydrophobicContact CG-CZ2 4.13Å; R442-W520 HydrophobicContact CG-CZ3 3.45Å; R442-W520 VanDerWaalsContact CG-CZ3 3.45Å; R442-W520 PolarHBondContact NH2-O 3.45Å; R442-W520 VanDerWaalsContact O-CH2 3.25Å; R442-W520 WeakPolarHBondContact O-CH2 3.36Å; R442-W520 WeakPolarHBondContact O-CZ3 3.35Å
443	I	85.6	Confident	84.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-38.2	-179.6	-66.2	168.6	0	0	0	110.7	P258 E259 L329 W333 L439 M440 V441 F446 S447 W520	P258-I443 HydrophobicContact CG-CD1 3.95Å; E259-I443 HydrophobicContact CG-CD1 3.86Å; L329-I443 HydrophobicContact CD1-CG2 3.97Å; W333-I443 HydrophobicContact CB-CG2 4.23Å; W333-I443 HydrophobicContact CG-CG2 4.13Å; L439-I443 HydrophobicContact CD1-CD1 3.88Å; L439-I443 HydrophobicContact CD1-CG1 4.21Å; L439-I443 HydrophobicContact CG-CD1 3.92Å; L439-I443 WeakPolarHBondContact O-CG1 3.39Å; L439-I443 PolarHBondContact O-N 3.16Å; M440-I443 PolarHBondContact O-N 2.92Å; V441-I443 VanDerWaalsContact C-N 3.35Å; V441-I443 PolarHBondContact O-N 3.07Å; I443-F446 PolarHBondContact O-N 3.45Å; I443-S447 WeakPolarHBondContact O-CB 3.23Å; I443-S447 PolarHBondContact O-N 3.22Å; I443-S447 PolarHBondContact O-OG 3.26Å; I443-W520 HydrophobicContact CG1-CH2 4.23Å; I443-W520 HydrophobicContact CG1-CZ2 3.89Å
444	G	86.1	Confident	85.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.5	-48.1	175.4	0	0	0	0	0	112	M440 V441 R442 F446 S447 V448	M440-G444 PolarHBondContact O-N 2.97Å; V441-G444 PolarHBondContact O-N 3.36Å; R442-G444 VanDerWaalsContact C-N 3.3Å; R442-G444 PolarHBondContact O-N 3.49Å; G444-F446 PolarHBondContact O-N 3.45Å; G444-S447 PolarHBondContact O-N 3.36Å; G444-V448 WeakPolarHBondContact O-CG2 3.43Å; G444-V448 PolarHBondContact O-N 2.82Å
445	V	87.6	Confident	86.8	Confident	79 Å²	79	56.6 Å²	56.6	48%	0.479	29%	0.29	S	S	.	.	H	α-helix	trans	-59.6	-45.8	176.2	172	0	0	0	0	111.2	V441 R442 S447 V448 L449	V441-V445 HydrophobicContact CG1-CG2 4.49Å; V441-V445 WeakPolarHBondContact O-CG2 3.44Å; V441-V445 PolarHBondContact O-N 3.42Å; R442-V445 PolarHBondContact O-N 3.09Å; V445-S447 VanDerWaalsContact C-N 3.33Å; V445-S447 PolarHBondContact O-N 3.15Å; V445-V448 PolarHBondContact O-N 3.35Å; V445-L449 HydrophobicContact CG1-CD1 4.18Å; V445-L449 WeakPolarHBondContact O-CG 3.47Å; V445-L449 PolarHBondContact O-N 3.2Å
446	F	86.1	Confident	87.8	Confident	12 Å²	12	49.5 Å²	49.5	5%	0.053	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-41.8	177.7	179.1	-100.6	0	0	0	112.5	I262 L329 R442 I443 G444 V448 L449 Y450 W520	I262-F446 HydrophobicContact CD1-CD1 4.02Å; I262-F446 HydrophobicContact CD1-CE1 4.16Å; I262-F446 HydrophobicContact CG1-CD1 4.36Å; I262-F446 HydrophobicContact CG1-CE1 4.09Å; I262-F446 HydrophobicContact CG2-CE1 4.17Å; I262-F446 HydrophobicContact CG2-CZ 4.38Å; L329-F446 HydrophobicContact CD2-CD1 4.03Å; L329-F446 HydrophobicContact CD2-CE1 4.09Å; R442-F446 PolarHBondContact O-N 3.44Å; I443-F446 PolarHBondContact O-N 3.45Å; G444-F446 PolarHBondContact O-N 3.45Å; F446-V448 VanDerWaalsContact C-N 3.34Å; F446-V448 PolarHBondContact O-N 3.26Å; F446-L449 PolarHBondContact O-N 3.23Å; F446-Y450 PolarHBondContact O-N 3.01Å; F446-W520 HydrophobicContact CB-CE3 3.82Å; F446-W520 HydrophobicContact CB-CH2 4.17Å; F446-W520 HydrophobicContact CB-CZ3 3.56Å; F446-W520 HydrophobicContact CD2-CD2 4.4Å; F446-W520 AromaticContact CD2-CE3 3.85Å; F446-W520 HydrophobicContact CD2-CE3 3.85Å; F446-W520 HydrophobicContact CD2-CZ3 4.44Å; F446-W520 HydrophobicContact CE2-CB 4.37Å; F446-W520 HydrophobicContact CG-CD2 4.38Å; F446-W520 AromaticContact CG-CE3 3.9Å; F446-W520 HydrophobicContact CG-CE3 3.9Å; F446-W520 HydrophobicContact CG-CZ3 4.15Å
447	S	86.8	Confident	89	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-34.8	178.5	-55.4	0	0	0	0	112.7	W326 I443 G444 V445 Y450	W326-S447 PolarHBondContact NE1-O 3.23Å; I443-S447 WeakPolarHBondContact O-CB 3.23Å; I443-S447 PolarHBondContact O-N 3.22Å; I443-S447 PolarHBondContact O-OG 3.26Å; G444-S447 PolarHBondContact O-N 3.36Å; V445-S447 VanDerWaalsContact C-N 3.33Å; V445-S447 PolarHBondContact O-N 3.15Å; S447-Y450 PolarHBondContact O-N 3.42Å
448	V	89.4	Confident	90	Very high	56 Å²	56	43.2 Å²	43.2	34%	0.339	23%	0.232	S	C	.	.	H	α-helix	trans	-69.5	-40	172	172.6	0	0	0	0	111.3	L412 F416 G444 V445 F446 Y450 T451	L412-V448 HydrophobicContact CD1-CG2 4.35Å; F416-V448 HydrophobicContact CE2-CG2 3.49Å; F416-V448 VanDerWaalsContact CE2-CG2 3.49Å; F416-V448 HydrophobicContact CZ-CG2 3.74Å; G444-V448 WeakPolarHBondContact O-CG2 3.43Å; G444-V448 PolarHBondContact O-N 2.82Å; V445-V448 PolarHBondContact O-N 3.35Å; F446-V448 VanDerWaalsContact C-N 3.34Å; F446-V448 PolarHBondContact O-N 3.26Å; V448-Y450 PolarHBondContact O-N 2.88Å; V448-T451 PolarHBondContact O-N 2.73Å; V448-T451 PolarHBondContact O-OG1 3.31Å
449	L	90.6	Very high	90.8	Very high	109 Å²	109	39 Å²	39	57%	0.571	23%	0.225	S	C	*	.	H	α-helix	trans	-60.6	-27.7	177	-74.7	171.6	0	0	0	112.9	V445 F446 P453	V445-L449 HydrophobicContact CG1-CD1 4.18Å; V445-L449 WeakPolarHBondContact O-CG 3.47Å; V445-L449 PolarHBondContact O-N 3.2Å; F446-L449 PolarHBondContact O-N 3.23Å; L449-P453 WeakPolarHBondContact O-CD 3.35Å
450	Y	91.4	Very high	91.6	Very high	13 Å²	13	37.1 Å²	37.1	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-70.7	-28.8	173.9	-175.5	-74.1	0	0	0	113.3	L265 W326 F446 S447 V448 V452 P453 A454 V513	L265-Y450 HydrophobicContact CD1-CD2 4.2Å; L265-Y450 HydrophobicContact CD1-CE2 3.82Å; W326-Y450 HydrophobicContact CB-CD1 4.19Å; W326-Y450 HydrophobicContact CB-CD2 4.34Å; W326-Y450 HydrophobicContact CB-CE1 3.83Å; W326-Y450 HydrophobicContact CB-CE2 3.93Å; W326-Y450 HydrophobicContact CB-CG 4.48Å; W326-Y450 AromaticContact CD1-CD1 3.22Å; W326-Y450 AromaticContact CD1-CD2 3.61Å; W326-Y450 AromaticContact CD1-CE1 3.79Å; W326-Y450 AromaticContact CD1-CG 3.17Å; W326-Y450 AromaticContact CD2-CD1 3.59Å; W326-Y450 HydrophobicContact CD2-CD1 3.59Å; W326-Y450 AromaticContact CD2-CE1 3.71Å; W326-Y450 HydrophobicContact CD2-CE1 3.71Å; W326-Y450 HydrophobicContact CD2-CG 4.35Å; W326-Y450 AromaticContact CE2-CD1 3.55Å; W326-Y450 HydrophobicContact CE3-CD1 4.46Å; W326-Y450 HydrophobicContact CE3-CE1 4.28Å; W326-Y450 AromaticContact CG-CD1 3.39Å; W326-Y450 HydrophobicContact CG-CD1 3.39Å; W326-Y450 HydrophobicContact CG-CD2 4.08Å; W326-Y450 AromaticContact CG-CE1 3.47Å; W326-Y450 HydrophobicContact CG-CE1 3.47Å; W326-Y450 VanDerWaalsContact CG-CE1 3.47Å; W326-Y450 HydrophobicContact CG-CE2 4.08Å; W326-Y450 AromaticContact CG-CG 3.77Å; W326-Y450 HydrophobicContact CG-CG 3.77Å; W326-Y450 AromaticContact CG-CZ 3.85Å; W326-Y450 HydrophobicContact CZ2-CD1 4.38Å; W326-Y450 AromaticContact NE1-CD1 3.3Å; W326-Y450 VanDerWaalsContact NE1-CD1 3.3Å; W326-Y450 AromaticContact NE1-CG 3.44Å; F446-Y450 PolarHBondContact O-N 3.01Å; S447-Y450 PolarHBondContact O-N 3.42Å; V448-Y450 PolarHBondContact O-N 2.88Å; Y450-V452 PolarHBondContact O-N 3.12Å; Y450-P453 WeakPolarHBondContact O-CD 3.44Å; Y450-A454 HydrophobicContact CD1-CB 4.11Å; Y450-A454 HydrophobicContact CE1-CB 3.86Å; Y450-A454 PolarHBondContact O-N 3.22Å; Y450-V513 HydrophobicContact CD2-CG1 3.41Å; Y450-V513 VanDerWaalsContact CD2-CG1 3.41Å; Y450-V513 HydrophobicContact CD2-CG2 4.29Å; Y450-V513 HydrophobicContact CE2-CB 4.38Å; Y450-V513 HydrophobicContact CE2-CG1 3.23Å; Y450-V513 HydrophobicContact CE2-CG2 4.27Å
451	T	94.7	Very high	92.3	Very high	24 Å²	24	36.5 Å²	36.5	15%	0.147	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-31.7	-177.4	64.7	0	0	0	0	111.6	W326 T409 L412 V448 A454 T455	W326-T451 HydrophobicContact CH2-CG2 4.28Å; W326-T451 HydrophobicContact CZ2-CG2 3.63Å; T409-T451 HydrophobicContact CG2-CG2 3.97Å; L412-T451 HydrophobicContact CD1-CG2 3.94Å; V448-T451 PolarHBondContact O-N 2.73Å; V448-T451 PolarHBondContact O-OG1 3.31Å; T451-A454 PolarHBondContact O-N 3.31Å; T451-T455 WeakPolarHBondContact O-CB 3.44Å; T451-T455 VanDerWaalsContact O-CG2 3.27Å; T451-T455 WeakPolarHBondContact O-CG2 3.28Å; T451-T455 PolarHBondContact O-N 3.34Å; T451-T455 PolarHBondContact O-OG1 3.29Å
452	V	95.7	Very high	92.9	Very high	86 Å²	86	39.3 Å²	39.3	52%	0.521	22%	0.221	S	C	.	.	H	α-helix	trans	-65.7	-52.5	-178.9	173.6	0	0	0	0	112.4	Y450 A454 T455 C456	Y450-V452 PolarHBondContact O-N 3.12Å; V452-A454 VanDerWaalsContact C-N 3.31Å; V452-A454 PolarHBondContact O-N 3.29Å; V452-T455 PolarHBondContact O-OG1 3.1Å; V452-C456 WeakPolarHBondContact O-CB 3.3Å; V452-C456 PolarHBondContact O-N 2.97Å; V452-C456 VanDerWaalsContact O-N 3.11Å
453	P	96.4	Very high	93.3	Very high	13 Å²	13	37.6 Å²	37.6	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-59.1	-40.4	171.5	-25.8	32.6	0	0	0	113.3	L449 Y450 C456 V457 M509 V512 V513	L449-P453 WeakPolarHBondContact O-CD 3.35Å; Y450-P453 WeakPolarHBondContact O-CD 3.44Å; P453-C456 PolarHBondContact O-N 3.28Å; P453-V457 VanDerWaalsContact O-CG2 3.3Å; P453-V457 WeakPolarHBondContact O-CG2 3.16Å; P453-V457 PolarHBondContact O-N 2.93Å; P453-M509 HydrophobicContact CB-CB 4.16Å; P453-M509 WeakPolarHBondContact CB-O 3.28Å; P453-M509 HydrophobicContact CB-SD 4.1Å; P453-M509 HydrophobicContact CG-SD 4.29Å; P453-V512 HydrophobicContact CB-CG1 4.17Å; P453-V512 HydrophobicContact CG-CG1 3.89Å; P453-V513 HydrophobicContact CB-CG2 3.66Å; P453-V513 HydrophobicContact CG-CG2 3.96Å
454	A	96.4	Very high	93.7	Very high	21 Å²	21	38.6 Å²	38.6	17%	0.174	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-45.1	-178.2	0	0	0	0	0	113	L405 Y450 T451 V452 C456 V457 I458	L405-A454 HydrophobicContact CD1-CB 4.03Å; Y450-A454 HydrophobicContact CD1-CB 4.11Å; Y450-A454 HydrophobicContact CE1-CB 3.86Å; Y450-A454 PolarHBondContact O-N 3.22Å; T451-A454 PolarHBondContact O-N 3.31Å; V452-A454 VanDerWaalsContact C-N 3.31Å; V452-A454 PolarHBondContact O-N 3.29Å; A454-C456 VanDerWaalsContact C-N 3.33Å; A454-V457 PolarHBondContact O-N 2.82Å; A454-I458 WeakPolarHBondContact O-CG1 3.1Å; A454-I458 PolarHBondContact O-N 3.29Å
455	T	97.5	Very high	94	Very high	66 Å²	66	42.7 Å²	42.7	41%	0.405	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-40.9	175.4	52.8	0	0	0	0	111.3	L405 T451 V452 I458 A459	L405-T455 HydrophobicContact CD1-CG2 4.38Å; L405-T455 HydrophobicContact CD2-CG2 3.5Å; T451-T455 WeakPolarHBondContact O-CB 3.44Å; T451-T455 VanDerWaalsContact O-CG2 3.27Å; T451-T455 WeakPolarHBondContact O-CG2 3.28Å; T451-T455 PolarHBondContact O-N 3.34Å; T451-T455 PolarHBondContact O-OG1 3.29Å; V452-T455 PolarHBondContact O-OG1 3.1Å; T455-I458 PolarHBondContact O-N 3.23Å; T455-A459 WeakPolarHBondContact O-CB 3.43Å; T455-A459 PolarHBondContact O-N 3.47Å
456	C	98	Very high	94.3	Very high	32 Å²	32	43.8 Å²	43.8	22%	0.216	24%	0.238	C	C	.	.	H	α-helix	trans	-62.4	-44.8	177.5	-171.2	0	0	0	0	111.8	V452 P453 A454 I458 A459 C460 V505 M509	V452-C456 WeakPolarHBondContact O-CB 3.3Å; V452-C456 PolarHBondContact O-N 2.97Å; V452-C456 VanDerWaalsContact O-N 3.11Å; P453-C456 PolarHBondContact O-N 3.28Å; A454-C456 VanDerWaalsContact C-N 3.33Å; C456-I458 PolarHBondContact O-N 3.2Å; C456-A459 WeakPolarHBondContact O-CB 3.31Å; C456-A459 PolarHBondContact O-N 3.44Å; C456-C460 PolarHBondContact O-N 2.89Å; C456-C460 PolarHBondContact O-SG 3.04Å; C456-V505 WeakPolarHBondContact SG-CG1 3.1Å; C456-M509 HydrophobicContact CB-CB 4.45Å; C456-M509 HydrophobicContact CB-CG 3.91Å; C456-M509 HydrophobicContact CB-SD 4.42Å
457	V	97.9	Very high	94.6	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-43.4	175.6	167.9	0	0	0	0	111.6	P453 A454 A459 C460 Y461 M509 L510	P453-V457 VanDerWaalsContact O-CG2 3.3Å; P453-V457 WeakPolarHBondContact O-CG2 3.16Å; P453-V457 PolarHBondContact O-N 2.93Å; A454-V457 PolarHBondContact O-N 2.82Å; V457-A459 VanDerWaalsContact C-N 3.33Å; V457-A459 PolarHBondContact O-N 3.15Å; V457-C460 PolarHBondContact O-N 3.44Å; V457-Y461 HydrophobicContact CG1-CD2 3.71Å; V457-Y461 HydrophobicContact CG1-CE2 3.42Å; V457-Y461 VanDerWaalsContact CG1-CE2 3.42Å; V457-Y461 VanDerWaalsContact O-CD2 3.28Å; V457-Y461 WeakPolarHBondContact O-CD2 3.47Å; V457-Y461 PolarHBondContact O-N 3.34Å; V457-M509 HydrophobicContact CG2-CB 3.72Å; V457-L510 HydrophobicContact CG1-CD2 3.92Å; V457-L510 HydrophobicContact CG1-CG 4.34Å; V457-L510 HydrophobicContact CG2-CD2 3.95Å; V457-L510 HydrophobicContact CG2-CG 3.8Å
458	I	97.8	Very high	94.7	Very high	26 Å²	26	46.2 Å²	46.2	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-42.4	176	-71.2	166.4	0	0	0	110.8	L398 L401 L405 A454 T455 C456 C460 Y461 F462	L398-I458 HydrophobicContact CD1-CG2 3.94Å; L401-I458 HydrophobicContact CB-CD1 4.18Å; L401-I458 HydrophobicContact CB-CG1 4.04Å; L405-I458 HydrophobicContact CB-CD1 4.03Å; L405-I458 HydrophobicContact CD2-CD1 3.67Å; L405-I458 HydrophobicContact CG-CD1 4.45Å; A454-I458 WeakPolarHBondContact O-CG1 3.1Å; A454-I458 PolarHBondContact O-N 3.29Å; T455-I458 PolarHBondContact O-N 3.23Å; C456-I458 PolarHBondContact O-N 3.2Å; I458-C460 VanDerWaalsContact C-N 3.33Å; I458-C460 PolarHBondContact O-N 2.91Å; I458-Y461 PolarHBondContact O-N 2.92Å; I458-F462 WeakPolarHBondContact O-CB 3.35Å; I458-F462 PolarHBondContact O-N 3.26Å
459	A	97.9	Very high	94.6	Very high	60 Å²	60	48.1 Å²	48.1	50%	0.496	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-39.7	176.2	0	0	0	0	0	112.1	T455 C456 V457 F462 Y463	T455-A459 WeakPolarHBondContact O-CB 3.43Å; T455-A459 PolarHBondContact O-N 3.47Å; C456-A459 WeakPolarHBondContact O-CB 3.31Å; C456-A459 PolarHBondContact O-N 3.44Å; V457-A459 VanDerWaalsContact C-N 3.33Å; V457-A459 PolarHBondContact O-N 3.15Å; A459-F462 PolarHBondContact O-N 3.15Å; A459-Y463 PolarHBondContact O-N 3.46Å
460	C	96.8	Very high	94.6	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.054	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-45.9	174.4	-62.5	0	0	0	0	111.6	C456 V457 I458 F462 Y463 E464 I502 K506	C456-C460 PolarHBondContact O-N 2.89Å; C456-C460 PolarHBondContact O-SG 3.04Å; V457-C460 PolarHBondContact O-N 3.44Å; I458-C460 VanDerWaalsContact C-N 3.33Å; I458-C460 PolarHBondContact O-N 2.91Å; C460-F462 VanDerWaalsContact C-N 3.3Å; C460-F462 PolarHBondContact O-N 3.33Å; C460-Y463 WeakPolarHBondContact O-CB 3.4Å; C460-Y463 PolarHBondContact O-N 3.39Å; C460-E464 WeakPolarHBondContact O-CG 3.25Å; C460-E464 PolarHBondContact O-N 2.93Å; C460-I502 HydrophobicContact CB-CG2 4.06Å; C460-K506 HydrophobicContact CB-CB 3.82Å; C460-K506 HydrophobicContact CB-CD 4.11Å; C460-K506 HydrophobicContact CB-CG 4.06Å
461	Y	95.9	Very high	94.6	Very high	8 Å²	8	50.1 Å²	50.1	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-34.1	175.8	-76.5	-54.5	0	0	0	113	L393 V397 L401 V457 I458 E464 R465 K506	L393-Y461 HydrophobicContact CD1-CD1 3.84Å; L393-Y461 HydrophobicContact CD1-CE1 4.06Å; V397-Y461 HydrophobicContact CG1-CD1 4.47Å; V397-Y461 HydrophobicContact CG1-CD2 3.95Å; V397-Y461 HydrophobicContact CG1-CE1 4.19Å; V397-Y461 HydrophobicContact CG1-CE2 3.64Å; V397-Y461 HydrophobicContact CG1-CG 4.36Å; L401-Y461 HydrophobicContact CD1-CD2 4.19Å; L401-Y461 HydrophobicContact CD1-CE2 3.96Å; V457-Y461 HydrophobicContact CG1-CD2 3.71Å; V457-Y461 HydrophobicContact CG1-CE2 3.42Å; V457-Y461 VanDerWaalsContact CG1-CE2 3.42Å; V457-Y461 VanDerWaalsContact O-CD2 3.28Å; V457-Y461 WeakPolarHBondContact O-CD2 3.47Å; V457-Y461 PolarHBondContact O-N 3.34Å; I458-Y461 PolarHBondContact O-N 2.92Å; Y461-E464 PolarHBondContact O-N 3.35Å; Y461-R465 WeakPolarHBondContact O-CB 3.3Å; Y461-R465 PolarHBondContact O-N 3.01Å; Y461-K506 HydrophobicContact CD1-CD 4.36Å; Y461-K506 HydrophobicContact CE1-CD 4.02Å
462	F	96.1	Very high	94.2	Very high	104 Å²	104	52.9 Å²	52.9	46%	0.456	27%	0.268	S	S	.	.	H	α-helix	trans	-66.7	-41.6	174.3	-167.7	-101.7	0	0	0	111.4	L398 I458 A459 C460 R465 L466	L398-F462 HydrophobicContact CD2-CD2 4.19Å; I458-F462 WeakPolarHBondContact O-CB 3.35Å; I458-F462 PolarHBondContact O-N 3.26Å; A459-F462 PolarHBondContact O-N 3.15Å; C460-F462 VanDerWaalsContact C-N 3.3Å; C460-F462 PolarHBondContact O-N 3.33Å; F462-R465 PolarHBondContact O-N 2.82Å; F462-L466 HydrophobicContact CD1-CD1 3.76Å; F462-L466 HydrophobicContact CD1-CG 4.26Å; F462-L466 HydrophobicContact CE1-CD1 3.4Å; F462-L466 HydrophobicContact CE1-CD2 4.47Å; F462-L466 HydrophobicContact CE1-CG 4.02Å; F462-L466 HydrophobicContact CZ-CD1 4.11Å; F462-L466 HydrophobicContact CZ-CD2 4.39Å; F462-L466 HydrophobicContact CZ-CG 4.37Å; F462-L466 WeakPolarHBondContact O-CG 3.47Å; F462-L466 PolarHBondContact O-N 3.26Å
463	Y	95.1	Very high	93.7	Very high	65 Å²	65	53.1 Å²	53.1	26%	0.255	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-46.6	172.8	171.5	-94.3	0	0	0	112	A459 C460 R465 L466 N467 W471 I502	A459-Y463 PolarHBondContact O-N 3.46Å; C460-Y463 WeakPolarHBondContact O-CB 3.4Å; C460-Y463 PolarHBondContact O-N 3.39Å; Y463-R465 PolarHBondContact O-N 3.34Å; Y463-L466 PolarHBondContact O-N 3.38Å; Y463-N467 WeakPolarHBondContact CD2-ND2 3.04Å; Y463-N467 WeakPolarHBondContact CE2-ND2 3.21Å; Y463-N467 PolarHBondContact O-N 2.03Å; Y463-N467 PolarHBondContact O-ND2 3.27Å; Y463-W471 AromaticContact CD1-CH2 3.95Å; Y463-W471 HydrophobicContact CD1-CH2 3.95Å; Y463-W471 HydrophobicContact CD1-CZ2 4.22Å; Y463-W471 AromaticContact CE1-CH2 3.52Å; Y463-W471 HydrophobicContact CE1-CH2 3.52Å; Y463-W471 AromaticContact CE1-CZ2 3.41Å; Y463-W471 HydrophobicContact CE1-CZ2 3.41Å; Y463-W471 VanDerWaalsContact CE1-CZ2 3.41Å; Y463-W471 AromaticContact CZ-CZ2 3.73Å; Y463-I502 HydrophobicContact CD1-CB 4.35Å; Y463-I502 HydrophobicContact CD1-CD1 3.62Å; Y463-I502 HydrophobicContact CD1-CG2 3.76Å; Y463-I502 HydrophobicContact CD2-CD1 3.84Å; Y463-I502 HydrophobicContact CE1-CB 4.36Å; Y463-I502 HydrophobicContact CE1-CD1 3.36Å; Y463-I502 HydrophobicContact CE1-CG1 4.42Å; Y463-I502 HydrophobicContact CE1-CG2 4.25Å; Y463-I502 HydrophobicContact CE2-CD1 3.61Å; Y463-I502 HydrophobicContact CG-CD1 3.84Å; Y463-I502 HydrophobicContact CG-CG2 4.31Å
464	E	92.9	Very high	93.3	Very high	21 Å²	21	55.1 Å²	55.1	10%	0.098	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-50.7	175	-75.1	167.5	-122.6	0	0	110.9	L393 C460 Y461 L466 N467 M468 W471 F503 K506	L393-E464 HydrophobicContact CD2-CB 4.45Å; C460-E464 WeakPolarHBondContact O-CG 3.25Å; C460-E464 PolarHBondContact O-N 2.93Å; Y461-E464 PolarHBondContact O-N 3.35Å; E464-L466 VanDerWaalsContact C-N 3.29Å; E464-L466 PolarHBondContact O-N 3.29Å; E464-N467 PolarHBondContact O-N 3.32Å; E464-M468 WeakPolarHBondContact O-CB 3.26Å; E464-M468 PolarHBondContact O-N 3.17Å; E464-W471 HydrophobicContact CB-CZ3 4.42Å; E464-W471 HydrophobicContact CG-CH2 4.32Å; E464-W471 HydrophobicContact CG-CZ3 4.33Å; E464-F503 HydrophobicContact CG-CE1 4.05Å; E464-F503 HydrophobicContact CG-CE2 4.15Å; E464-F503 HydrophobicContact CG-CZ 3.59Å; E464-K506 VanDerWaalsContact OE1-CD 3.3Å; E464-K506 WeakPolarHBondContact OE1-CD 3.41Å; E464-K506 WeakPolarHBondContact OE1-CE 3.5Å; E464-K506 IonicContact OE1-NZ 2.71Å; E464-K506 PolarHBondContact OE1-NZ 2.04Å; E464-K506 IonicContact OE2-NZ 3.17Å; E464-K506 PolarHBondContact OE2-NZ 2.81Å
465	R	93.6	Very high	92.8	Very high	87 Å²	87	54.1 Å²	54.1	33%	0.328	27%	0.266	S	S	.	.	H	α-helix	trans	-55.1	-42	179.4	-175.7	-169.5	173.2	-83	-3.9	112.9	V390 T394 Y461 F462 Y463	V390-R465 HydrophobicContact CG1-CG 3.87Å; T394-R465 WeakPolarHBondContact OG1-CD 3.5Å; T394-R465 PolarHBondContact OG1-NE 2.78Å; T394-R465 VanDerWaalsContact OG1-NE 3.12Å; Y461-R465 WeakPolarHBondContact O-CB 3.3Å; Y461-R465 PolarHBondContact O-N 3.01Å; F462-R465 PolarHBondContact O-N 2.82Å; Y463-R465 PolarHBondContact O-N 3.34Å
466	L	93	Very high	92	Very high	102 Å²	102	55.2 Å²	55.2	53%	0.534	27%	0.267	S	S	.	.	H	α-helix	trans	-73.7	-28.1	-175.7	-73	-180	0	0	0	113.7	F462 Y463 E464	F462-L466 HydrophobicContact CD1-CD1 3.76Å; F462-L466 HydrophobicContact CD1-CG 4.26Å; F462-L466 HydrophobicContact CE1-CD1 3.4Å; F462-L466 HydrophobicContact CE1-CD2 4.47Å; F462-L466 HydrophobicContact CE1-CG 4.02Å; F462-L466 HydrophobicContact CZ-CD1 4.11Å; F462-L466 HydrophobicContact CZ-CD2 4.39Å; F462-L466 HydrophobicContact CZ-CG 4.37Å; F462-L466 WeakPolarHBondContact O-CG 3.47Å; F462-L466 PolarHBondContact O-N 3.26Å; Y463-L466 PolarHBondContact O-N 3.38Å; E464-L466 VanDerWaalsContact C-N 3.29Å; E464-L466 PolarHBondContact O-N 3.29Å
467	N	92.6	Very high	91.1	Very high	46 Å²	46	60.5 Å²	60.5	25%	0.246	29%	0.288	C	S	.	.	H	α-helix	trans	-108.7	-7.1	-171.5	-65.6	-82.2	0	0	0	113.5	Y463 E464 D469 Y470 W471	Y463-N467 WeakPolarHBondContact CD2-ND2 3.04Å; Y463-N467 WeakPolarHBondContact CE2-ND2 3.21Å; Y463-N467 PolarHBondContact O-N 2.03Å; Y463-N467 PolarHBondContact O-ND2 3.27Å; E464-N467 PolarHBondContact O-N 3.32Å; N467-D469 PolarHBondContact O-N 3.35Å; N467-Y470 WeakPolarHBondContact O-CB 3.37Å; N467-Y470 PolarHBondContact O-N 2.85Å; N467-Y470 VanDerWaalsContact O-N 3.15Å; N467-W471 HydrophobicContact CB-CD2 3.97Å; N467-W471 HydrophobicContact CB-CE3 4.45Å; N467-W471 HydrophobicContact CB-CH2 3.87Å; N467-W471 HydrophobicContact CB-CZ2 3.29Å; N467-W471 HydrophobicContact CB-CZ3 4.4Å; N467-W471 VanDerWaalsContact O-CG 3.26Å; N467-W471 PolarHBondContact O-N 2.97Å
468	M	88.9	Confident	89.9	Confident	17 Å²	17	63.7 Å²	63.7	8%	0.084	30%	0.303	C	S	.	.	H	α-helix	trans	-56	-45.3	-174.6	-167.5	167.7	-167.2	0	0	114.5	S387 M388 D389 V390 E464 Y470 W471 R472	S387-M468 VanDerWaalsContact C-CE 3.44Å; S387-M468 WeakPolarHBondContact O-CE 3.26Å; M388-M468 HydrophobicContact CB-CE 4.47Å; D389-M468 VanDerWaalsContact N-CE 3.34Å; V390-M468 HydrophobicContact CB-SD 4.31Å; V390-M468 HydrophobicContact CG2-CB 4.02Å; V390-M468 HydrophobicContact CG2-CG 4Å; V390-M468 HydrophobicContact CG2-SD 3.39Å; V390-M468 WeakPolarHBondContact CG2-SD 3.09Å; E464-M468 WeakPolarHBondContact O-CB 3.26Å; E464-M468 PolarHBondContact O-N 3.17Å; M468-Y470 VanDerWaalsContact C-N 3.35Å; M468-W471 PolarHBondContact O-N 3.16Å; M468-R472 PolarHBondContact O-N 3.02Å
469	D	87.7	Confident	88.5	Confident	95 Å²	95	70.5 Å²	70.5	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-68.3	-38	179.5	-64.1	-36.2	0	0	0	111.1	N467 R472 I473	N467-D469 PolarHBondContact O-N 3.35Å; D469-R472 PolarHBondContact O-N 3.32Å; D469-I473 WeakPolarHBondContact O-CG1 3.45Å; D469-I473 PolarHBondContact O-N 3.48Å; D469-I473 VanDerWaalsContact O-N 3.16Å
470	Y	90.1	Very high	87.1	Confident	142 Å²	142	69.1 Å²	69.1	56%	0.557	32%	0.318	S	S	*	.	H	α-helix	trans	-62.9	-44.9	174.9	172.3	-105.9	0	0	0	111.8	N467 M468 R472 I473 L474	N467-Y470 WeakPolarHBondContact O-CB 3.37Å; N467-Y470 PolarHBondContact O-N 2.85Å; N467-Y470 VanDerWaalsContact O-N 3.15Å; M468-Y470 VanDerWaalsContact C-N 3.35Å; Y470-R472 VanDerWaalsContact C-N 3.33Å; Y470-R472 PolarHBondContact O-N 3.49Å; Y470-I473 PolarHBondContact O-N 3.06Å; Y470-L474 PolarHBondContact O-N 3.44Å; Y470-L474 VanDerWaalsContact O-N 3.09Å
471	W	90.8	Very high	85.5	Confident	22 Å²	22	74.3 Å²	74.3	8%	0.083	35%	0.349	C	S	.	.	H	α-helix	trans	-64.4	-36.9	177	-59.8	-28.6	0	0	0	112.7	Y463 E464 N467 M468 L474 A475 I497 P498 F503	Y463-W471 AromaticContact CD1-CH2 3.95Å; Y463-W471 HydrophobicContact CD1-CH2 3.95Å; Y463-W471 HydrophobicContact CD1-CZ2 4.22Å; Y463-W471 AromaticContact CE1-CH2 3.52Å; Y463-W471 HydrophobicContact CE1-CH2 3.52Å; Y463-W471 AromaticContact CE1-CZ2 3.41Å; Y463-W471 HydrophobicContact CE1-CZ2 3.41Å; Y463-W471 VanDerWaalsContact CE1-CZ2 3.41Å; Y463-W471 AromaticContact CZ-CZ2 3.73Å; E464-W471 HydrophobicContact CB-CZ3 4.42Å; E464-W471 HydrophobicContact CG-CH2 4.32Å; E464-W471 HydrophobicContact CG-CZ3 4.33Å; N467-W471 HydrophobicContact CB-CD2 3.97Å; N467-W471 HydrophobicContact CB-CE3 4.45Å; N467-W471 HydrophobicContact CB-CH2 3.87Å; N467-W471 HydrophobicContact CB-CZ2 3.29Å; N467-W471 HydrophobicContact CB-CZ3 4.4Å; N467-W471 VanDerWaalsContact O-CG 3.26Å; N467-W471 PolarHBondContact O-N 2.97Å; M468-W471 PolarHBondContact O-N 3.16Å; W471-L474 PolarHBondContact O-N 3.39Å; W471-A475 WeakPolarHBondContact O-CB 2.78Å; W471-A475 PolarHBondContact O-N 3.01Å; W471-I497 HydrophobicContact CB-CG2 3.86Å; W471-I497 HydrophobicContact CG-CG2 3.81Å; W471-P498 HydrophobicContact CD2-CB 3.96Å; W471-P498 HydrophobicContact CD2-CG 3.81Å; W471-P498 HydrophobicContact CE3-CB 4.22Å; W471-P498 HydrophobicContact CE3-CG 4.02Å; W471-P498 HydrophobicContact CG-CG 4.16Å; W471-P498 HydrophobicContact CH2-CB 3.94Å; W471-P498 HydrophobicContact CZ2-CB 3.63Å; W471-P498 HydrophobicContact CZ2-CG 4.41Å; W471-P498 HydrophobicContact CZ3-CB 4.22Å; W471-P498 HydrophobicContact CZ3-CG 4.42Å; W471-F503 HydrophobicContact CH2-CE2 4.17Å; W471-F503 HydrophobicContact CH2-CZ 4.23Å; W471-F503 HydrophobicContact CZ3-CE2 4.5Å; W471-F503 HydrophobicContact CZ3-CZ 4.13Å
472	R	86.5	Confident	83.6	Confident	83 Å²	83	80.1 Å²	80.1	31%	0.313	38%	0.381	S	S	.	.	H	α-helix	trans	-61	-50.4	176.8	-172.7	-173.8	-54.3	-124.7	-4.8	111.3	M388 M468 D469 Y470 L474 A475 E476	M388-R472 PolarHBondContact O-NH2 2.99Å; M468-R472 PolarHBondContact O-N 3.02Å; D469-R472 PolarHBondContact O-N 3.32Å; Y470-R472 VanDerWaalsContact C-N 3.33Å; Y470-R472 PolarHBondContact O-N 3.49Å; R472-L474 PolarHBondContact O-N 3.47Å; R472-A475 PolarHBondContact O-N 3.31Å; R472-E476 WeakPolarHBondContact O-CG 3.19Å; R472-E476 PolarHBondContact O-N 2.94Å
473	I	86.4	Confident	81.4	Confident	90 Å²	90	77.1 Å²	77.1	46%	0.462	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-47.6	179.5	-66.1	165.5	0	0	0	110.2	D469 Y470 A475 E476 E477	D469-I473 WeakPolarHBondContact O-CG1 3.45Å; D469-I473 PolarHBondContact O-N 3.48Å; D469-I473 VanDerWaalsContact O-N 3.16Å; Y470-I473 PolarHBondContact O-N 3.06Å; I473-A475 VanDerWaalsContact C-N 3.32Å; I473-A475 PolarHBondContact O-N 2.8Å; I473-E476 PolarHBondContact O-N 3.31Å; I473-E477 HydrophobicContact CG2-CG 4.31Å; I473-E477 WeakPolarHBondContact O-CG 3.38Å; I473-E477 PolarHBondContact O-N 3.11Å
474	L	87.1	Confident	78.9	Confident	55 Å²	55	80 Å²	80	29%	0.288	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-38.5	-179	-171.5	62.8	0	0	0	112.6	Y470 W471 R472 Q478 I497	Y470-L474 PolarHBondContact O-N 3.44Å; Y470-L474 VanDerWaalsContact O-N 3.09Å; W471-L474 PolarHBondContact O-N 3.39Å; R472-L474 PolarHBondContact O-N 3.47Å; L474-Q478 VanDerWaalsContact O-CB 3.29Å; L474-Q478 WeakPolarHBondContact O-CB 3.44Å; L474-Q478 PolarHBondContact O-N 3.19Å; L474-Q478 VanDerWaalsContact O-N 3.09Å; L474-I497 HydrophobicContact CB-CD1 4.4Å; L474-I497 HydrophobicContact CD2-CB 4.46Å; L474-I497 HydrophobicContact CD2-CD1 4.34Å; L474-I497 HydrophobicContact CD2-CG1 3.96Å; L474-I497 HydrophobicContact CD2-CG2 3.85Å; L474-I497 HydrophobicContact CG-CD1 4.19Å; L474-I497 HydrophobicContact CG-CG1 4.33Å
475	A	85.3	Confident	76.6	Confident	0 Å²	0	81 Å²	81	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-68	-35	177.5	0	0	0	0	0	112.7	F197 V216 Y217 W471 R472 I473 I497	F197-A475 HydrophobicContact CZ-CB 4.16Å; V216-A475 HydrophobicContact CG1-CB 4.21Å; Y217-A475 HydrophobicContact CD1-CB 3.77Å; Y217-A475 HydrophobicContact CE1-CB 3.32Å; W471-A475 WeakPolarHBondContact O-CB 2.78Å; W471-A475 PolarHBondContact O-N 3.01Å; R472-A475 PolarHBondContact O-N 3.31Å; I473-A475 VanDerWaalsContact C-N 3.32Å; I473-A475 PolarHBondContact O-N 2.8Å; A475-I497 HydrophobicContact CB-CD1 3.82Å
476	E	82.4	Confident	74	Confident	89 Å²	89	83.8 Å²	83.8	42%	0.416	45%	0.454	S	S	.	.	H	α-helix	trans	-72.1	-41.8	176.8	-75.3	175.1	-173.5	0	0	112.3	N193 F197 R472 I473	N193-E476 PolarHBondContact ND2-O 3.42Å; F197-E476 HydrophobicContact CE2-CG 3.94Å; F197-E476 HydrophobicContact CZ-CG 4.12Å; R472-E476 WeakPolarHBondContact O-CG 3.19Å; R472-E476 PolarHBondContact O-N 2.94Å; I473-E476 PolarHBondContact O-N 3.31Å
477	E	77.7	Confident	72	Confident	143 Å²	143	87.9 Å²	87.9	67%	0.668	47%	0.471	S	S	*	.	H	α-helix	trans	-72.4	-32.9	-179.4	-72.6	-179.4	172	0	0	113	I473 K479	I473-E477 HydrophobicContact CG2-CG 4.31Å; I473-E477 WeakPolarHBondContact O-CG 3.38Å; I473-E477 PolarHBondContact O-N 3.11Å; E477-K479 PolarHBondContact O-N 3.17Å
478	Q	73.6	Confident	69.9	Low	74 Å²	74	87.3 Å²	87.3	35%	0.346	47%	0.47	S	S	.	.			trans	-74.4	101.7	-178.2	-173.4	-179.7	-8.6	0	0	111.2	K196 L474 M493	K196-Q478 WeakPolarHBondContact CD-O 3.48Å; K196-Q478 WeakPolarHBondContact CE-O 3.46Å; K196-Q478 PolarHBondContact NZ-O 3.03Å; L474-Q478 VanDerWaalsContact O-CB 3.29Å; L474-Q478 WeakPolarHBondContact O-CB 3.44Å; L474-Q478 PolarHBondContact O-N 3.19Å; L474-Q478 VanDerWaalsContact O-N 3.09Å; Q478-M493 VanDerWaalsContact OE1-CE 3.28Å
479	K	68	Low	68.4	Low	169 Å²	169	92.1 Å²	92.1	74%	0.735	50%	0.496	S	S	*	.			trans	-64.3	147.9	171.5	-63.3	-176.5	-178.4	-179.7	0	111.4	E477	E477-K479 PolarHBondContact O-N 3.17Å
480	C	68.1	Low	67.3	Low	32 Å²	32	93.4 Å²	93.4	22%	0.216	50%	0.499	C	S	.	.			trans	-62.6	136.8	171	-61.4	0	0	0	0	109.2	K196 D482 C491	K196-C480 VanDerWaalsContact CG-SG 3.59Å; C480-D482 PolarHBondContact O-N 3.3Å; C480-C491 WeakPolarHBondContact CA-SG 3.42Å; C480-C491 HydrophobicContact CB-CB 3.66Å; C480-C491 WeakPolarHBondContact CB-SG 3.44Å; C480-C491 WeakPolarHBondContact SG-CB 3.21Å; C480-C491 CovalentContact SG-SG 2.03Å; C480-C491 PolarHBondContact SG-SG 3.11Å
481	V	63.9	Low	66.7	Low	116 Å²	116	86.8 Å²	86.8	70%	0.703	47%	0.474	S	S	*	.			trans	-79.7	112.2	168.5	179.7	0	0	0	0	105.5	G483	V481-G483 PolarHBondContact O-N 3.33Å
482	D	55.6	Low	66.1	Low	130 Å²	130	90.2 Å²	90.2	70%	0.695	50%	0.497	S	S	*	.			trans	-55.7	115.9	175.3	-68.7	-31.7	0	0	0	108.5	C480 S484	C480-D482 PolarHBondContact O-N 3.3Å; D482-S484 PolarHBondContact O-N 3.19Å
483	G	50.8	Low	65.8	Low	41 Å²	41	86.7 Å²	86.7	42%	0.423	48%	0.484	S	S	.	.			trans	-70.1	82.2	172.7	0	0	0	0	0	108.8	V481 G485 S488	V481-G483 PolarHBondContact O-N 3.33Å; G483-G485 PolarHBondContact O-N 3.49Å; G483-S488 PolarHBondContact N-OG 3.25Å; G483-S488 VanDerWaalsContact O-CB 3.31Å; G483-S488 WeakPolarHBondContact O-CB 3.44Å; G483-S488 PolarHBondContact O-OG 3.44Å
484	S	41.6	Very low	65.2	Low	126 Å²	126	92.8 Å²	92.8	88%	0.881	51%	0.507	S	S	*	.	S	Bend	trans	14.5	74.7	168.8	58.4	0	0	0	0	115.4	D482	D482-S484 PolarHBondContact O-N 3.19Å
485	G	44.2	Very low	65.1	Low	42 Å²	42	93.3 Å²	93.3	43%	0.433	52%	0.52	S	S	.	.	S	Bend	trans	174.9	153.2	173.3	0	0	0	0	0	113.2	G483 E487	G483-G485 PolarHBondContact O-N 3.49Å; G485-E487 PolarHBondContact O-N 3.36Å; G485-E487 VanDerWaalsContact O-N 3.08Å
486	P	40.7	Very low	65.3	Low	146 Å²	146	94.5 Å²	94.5	95%	0.948	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	4.2	-173.4	-9	26.5	0	0	0	114.9
487	E	49.2	Very low	65.7	Low	188 Å²	188	91.6 Å²	91.6	88%	0.879	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.3	35.4	-177.6	-74.9	-169.2	143	0	0	112.4	G485 D489	G485-E487 PolarHBondContact O-N 3.36Å; G485-E487 VanDerWaalsContact O-N 3.08Å; E487-D489 PolarHBondContact O-N 3.37Å
488	S	49.4	Very low	66.4	Low	34 Å²	34	85 Å²	85	24%	0.238	49%	0.485	C	S	.	.			trans	-87.6	86	178.2	68.5	0	0	0	0	112	G483 E490	G483-S488 PolarHBondContact N-OG 3.25Å; G483-S488 VanDerWaalsContact O-CB 3.31Å; G483-S488 WeakPolarHBondContact O-CB 3.44Å; G483-S488 PolarHBondContact O-OG 3.44Å; S488-E490 PolarHBondContact O-N 3.04Å
489	D	56.8	Low	67.3	Low	118 Å²	118	83 Å²	83	63%	0.631	48%	0.48	S	S	*	.			trans	-63.9	6.4	163.3	-93	-16.2	0	0	0	113.3	E487	E487-D489 PolarHBondContact O-N 3.37Å
490	E	65.9	Low	68.5	Low	121 Å²	121	75.4 Å²	75.4	57%	0.565	45%	0.448	S	S	*	.			trans	-97.3	114.5	-172.6	-69.3	-170.4	168.6	0	0	112.1	K213 S488	K213-E490 CarbonylContact O-C 3.38Å; K213-E490 VanDerWaalsContact O-CA 3.27Å; K213-E490 WeakPolarHBondContact O-CA 3.21Å; S488-E490 PolarHBondContact O-N 3.04Å
491	C	75.7	Confident	69.8	Low	4 Å²	4	80.2 Å²	80.2	3%	0.027	47%	0.467	C	S	.	.	B	Isolated β-bridge	trans	-111.2	101.5	177.5	-171.8	0	0	0	0	109.1	K196 K213 V214 D215 C480	K196-C491 WeakPolarHBondContact CE-SG 3.39Å; K213-C491 PolarHBondContact O-N 2.94Å; V214-C491 HydrophobicContact CB-CB 4.3Å; V214-C491 HydrophobicContact CG1-CB 3.92Å; V214-C491 HydrophobicContact CG2-CB 4.26Å; D215-C491 WeakPolarHBondContact CB-O 3.11Å; D215-C491 PolarHBondContact N-O 2.91Å; C480-C491 WeakPolarHBondContact CA-SG 3.42Å; C480-C491 HydrophobicContact CB-CB 3.66Å; C480-C491 WeakPolarHBondContact CB-SG 3.44Å; C480-C491 WeakPolarHBondContact SG-CB 3.21Å; C480-C491 CovalentContact SG-SG 2.03Å; C480-C491 PolarHBondContact SG-SG 3.11Å
492	V	78.4	Confident	71.3	Confident	94 Å²	94	76.8 Å²	76.8	57%	0.57	45%	0.445	S	S	*	.			trans	-109.3	134.8	-173.9	-175.6	0	0	0	0	110.9
493	M	79.9	Confident	73.2	Confident	9 Å²	9	71 Å²	71	4%	0.044	41%	0.414	C	S	.	.			trans	-103.8	131.5	177	-68.2	-173.6	63	0	0	111.6	D215 S219 Q478 A495 I497	D215-M493 HydrophobicContact CB-CB 3.93Å; D215-M493 HydrophobicContact CB-CG 3.73Å; D215-M493 HydrophobicContact CB-SD 4.22Å; D215-M493 PolarHBondContact OD2-N 3.17Å; S219-M493 WeakPolarHBondContact CB-O 3.31Å; Q478-M493 VanDerWaalsContact OE1-CE 3.28Å; M493-A495 VanDerWaalsContact C-N 3.35Å; M493-A495 WeakPolarHBondContact CE-O 3.15Å; M493-I497 HydrophobicContact CE-CD1 3.88Å; M493-I497 HydrophobicContact CE-CG1 3.71Å
494	K	75.5	Confident	75.3	Confident	217 Å²	217	69.4 Å²	69.4	94%	0.943	40%	0.395	S	S	*	.	S	Bend	trans	-71.3	-29.6	176.8	-68.8	-174.4	-179.7	178.6	0	113.2
495	A	83.6	Confident	78	Confident	67 Å²	67	66.2 Å²	66.2	55%	0.554	37%	0.37	S	S	*	.	S	Bend	trans	-145.7	146.3	179.9	0	0	0	0	0	109.4	M493	M493-A495 VanDerWaalsContact C-N 3.35Å; M493-A495 WeakPolarHBondContact CE-O 3.15Å
496	S	90	Very high	80.5	Confident	24 Å²	24	65.3 Å²	65.3	17%	0.168	35%	0.354	C	S	.	.			trans	-68.6	148.5	173.9	-67.1	0	0	0	0	111.6	W218 S219 D222	W218-S496 WeakPolarHBondContact CA-OG 3.36Å; S219-S496 PolarHBondContact N-OG 3.41Å; D222-S496 WeakPolarHBondContact OD2-CB 3.41Å; D222-S496 PolarHBondContact OD2-OG 3.01Å
497	I	90.4	Very high	83.2	Confident	29 Å²	29	58.5 Å²	58.5	15%	0.149	31%	0.31	C	S	.	.	S	Bend	trans	-72.5	-52.6	176.6	-71.6	165.8	0	0	0	110.5	Y217 W471 L474 A475 M493	Y217-I497 PolarHBondContact O-N 3.09Å; W471-I497 HydrophobicContact CB-CG2 3.86Å; W471-I497 HydrophobicContact CG-CG2 3.81Å; L474-I497 HydrophobicContact CB-CD1 4.4Å; L474-I497 HydrophobicContact CD2-CB 4.46Å; L474-I497 HydrophobicContact CD2-CD1 4.34Å; L474-I497 HydrophobicContact CD2-CG1 3.96Å; L474-I497 HydrophobicContact CD2-CG2 3.85Å; L474-I497 HydrophobicContact CG-CD1 4.19Å; L474-I497 HydrophobicContact CG-CG1 4.33Å; A475-I497 HydrophobicContact CB-CD1 3.82Å; M493-I497 HydrophobicContact CE-CD1 3.88Å; M493-I497 HydrophobicContact CE-CG1 3.71Å
498	P	92.6	Very high	85.5	Confident	5 Å²	5	52 Å²	52	3%	0.032	28%	0.279	C	S	.	.	S	Bend	trans	-82.9	156.1	174.5	-8.2	28.9	0	0	0	111.1	Y217 W218 W471 V500 F503	Y217-P498 VanDerWaalsContact O-CD 3.32Å; Y217-P498 WeakPolarHBondContact O-CD 3.39Å; W218-P498 HydrophobicContact CE3-CG 4.46Å; W218-P498 HydrophobicContact CH2-CB 3.41Å; W218-P498 VanDerWaalsContact CH2-CB 3.41Å; W218-P498 HydrophobicContact CH2-CG 3.53Å; W218-P498 HydrophobicContact CZ2-CB 4.02Å; W218-P498 HydrophobicContact CZ2-CG 3.65Å; W218-P498 HydrophobicContact CZ3-CB 3.8Å; W218-P498 HydrophobicContact CZ3-CG 3.93Å; W218-P498 WeakPolarHBondContact CZ3-O 3.02Å; W471-P498 HydrophobicContact CD2-CB 3.96Å; W471-P498 HydrophobicContact CD2-CG 3.81Å; W471-P498 HydrophobicContact CE3-CB 4.22Å; W471-P498 HydrophobicContact CE3-CG 4.02Å; W471-P498 HydrophobicContact CG-CG 4.16Å; W471-P498 HydrophobicContact CH2-CB 3.94Å; W471-P498 HydrophobicContact CZ2-CB 3.63Å; W471-P498 HydrophobicContact CZ2-CG 4.41Å; W471-P498 HydrophobicContact CZ3-CB 4.22Å; W471-P498 HydrophobicContact CZ3-CG 4.42Å; P498-V500 PolarHBondContact O-N 3.38Å; P498-V500 VanDerWaalsContact O-N 3.14Å; P498-F503 HydrophobicContact CB-CE2 3.98Å; P498-F503 HydrophobicContact CB-CZ 4.49Å
499	A	92.9	Very high	87.8	Confident	31 Å²	31	52.1 Å²	52.1	26%	0.256	28%	0.276	S	S	.	.			trans	-70.9	106.7	174.3	0	0	0	0	0	110.8	E501 I502	A499-E501 PolarHBondContact O-N 3.38Å; A499-I502 HydrophobicContact CB-CD1 4Å; A499-I502 HydrophobicContact CB-CG1 4.26Å; A499-I502 PolarHBondContact O-N 3.08Å
500	V	94.2	Very high	89.7	Confident	10 Å²	10	47.6 Å²	47.6	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-57.5	-35.2	-177.8	169.2	0	0	0	0	111.9	W218 D222 F225 P498 I502 F503 M504	W218-V500 HydrophobicContact CE3-CG2 3.51Å; W218-V500 HydrophobicContact CZ3-CB 4.26Å; W218-V500 HydrophobicContact CZ3-CG2 3.39Å; D222-V500 HydrophobicContact CB-CG1 4.28Å; D222-V500 HydrophobicContact CB-CG2 3.63Å; F225-V500 HydrophobicContact CD1-CG1 4.48Å; P498-V500 PolarHBondContact O-N 3.38Å; P498-V500 VanDerWaalsContact O-N 3.14Å; V500-I502 PolarHBondContact O-N 2.98Å; V500-F503 PolarHBondContact O-N 2.89Å; V500-M504 HydrophobicContact CG1-CE 4Å; V500-M504 HydrophobicContact CG1-CG 3.98Å; V500-M504 WeakPolarHBondContact O-CG 3.09Å; V500-M504 PolarHBondContact O-N 2.04Å
501	E	94.2	Very high	91.1	Very high	132 Å²	132	41.9 Å²	41.9	62%	0.617	23%	0.225	S	C	*	.	H	α-helix	trans	-57.5	-37.9	-177.9	-56.2	83.8	175.1	0	0	111.4	A499 F503 M504 V505	A499-E501 PolarHBondContact O-N 3.38Å; E501-F503 PolarHBondContact O-N 3.46Å; E501-M504 PolarHBondContact O-N 2.92Å; E501-V505 WeakPolarHBondContact O-CB 3.48Å; E501-V505 VanDerWaalsContact O-CG2 3.3Å; E501-V505 WeakPolarHBondContact O-CG2 3.41Å; E501-V505 PolarHBondContact O-N 2.95Å
502	I	95.6	Very high	92.1	Very high	45 Å²	45	42.9 Å²	42.9	23%	0.231	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-40.6	179.7	-63.7	175.2	0	0	0	110.5	C460 Y463 A499 V500 V505 K506	C460-I502 HydrophobicContact CB-CG2 4.06Å; Y463-I502 HydrophobicContact CD1-CB 4.35Å; Y463-I502 HydrophobicContact CD1-CD1 3.62Å; Y463-I502 HydrophobicContact CD1-CG2 3.76Å; Y463-I502 HydrophobicContact CD2-CD1 3.84Å; Y463-I502 HydrophobicContact CE1-CB 4.36Å; Y463-I502 HydrophobicContact CE1-CD1 3.36Å; Y463-I502 HydrophobicContact CE1-CG1 4.42Å; Y463-I502 HydrophobicContact CE1-CG2 4.25Å; Y463-I502 HydrophobicContact CE2-CD1 3.61Å; Y463-I502 HydrophobicContact CG-CD1 3.84Å; Y463-I502 HydrophobicContact CG-CG2 4.31Å; A499-I502 HydrophobicContact CB-CD1 4Å; A499-I502 HydrophobicContact CB-CG1 4.26Å; A499-I502 PolarHBondContact O-N 3.08Å; V500-I502 PolarHBondContact O-N 2.98Å; I502-V505 PolarHBondContact O-N 3.47Å; I502-K506 WeakPolarHBondContact O-CB 3.42Å; I502-K506 PolarHBondContact O-N 2.91Å
503	F	95.3	Very high	92.9	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.035	21%	0.205	C	C	.	.	H	α-helix	trans	-69.8	-36	177.8	-72.4	-108.5	0	0	0	111.5	W218 L379 E464 W471 P498 V500 E501 K506 V507	W218-F503 HydrophobicContact CH2-CD1 4.17Å; W218-F503 AromaticContact CH2-CD2 3.51Å; W218-F503 HydrophobicContact CH2-CD2 3.51Å; W218-F503 HydrophobicContact CH2-CE1 4.13Å; W218-F503 AromaticContact CH2-CE2 3.48Å; W218-F503 HydrophobicContact CH2-CE2 3.48Å; W218-F503 VanDerWaalsContact CH2-CE2 3.48Å; W218-F503 AromaticContact CH2-CG 3.87Å; W218-F503 HydrophobicContact CH2-CG 3.87Å; W218-F503 AromaticContact CH2-CZ 3.78Å; W218-F503 HydrophobicContact CH2-CZ 3.78Å; W218-F503 HydrophobicContact CZ2-CD1 4.17Å; W218-F503 HydrophobicContact CZ2-CD2 4.25Å; W218-F503 AromaticContact CZ2-CE1 3.9Å; W218-F503 HydrophobicContact CZ2-CE1 3.9Å; W218-F503 AromaticContact CZ2-CE2 3.99Å; W218-F503 HydrophobicContact CZ2-CE2 3.99Å; W218-F503 HydrophobicContact CZ2-CG 4.34Å; W218-F503 AromaticContact CZ2-CZ 3.78Å; W218-F503 HydrophobicContact CZ2-CZ 3.78Å; W218-F503 HydrophobicContact CZ3-CD2 4.43Å; L379-F503 HydrophobicContact CD2-CB 3.7Å; L379-F503 HydrophobicContact CD2-CD1 4.13Å; L379-F503 HydrophobicContact CD2-CG 3.99Å; E464-F503 HydrophobicContact CG-CE1 4.05Å; E464-F503 HydrophobicContact CG-CE2 4.15Å; E464-F503 HydrophobicContact CG-CZ 3.59Å; W471-F503 HydrophobicContact CH2-CE2 4.17Å; W471-F503 HydrophobicContact CH2-CZ 4.23Å; W471-F503 HydrophobicContact CZ3-CE2 4.5Å; W471-F503 HydrophobicContact CZ3-CZ 4.13Å; P498-F503 HydrophobicContact CB-CE2 3.98Å; P498-F503 HydrophobicContact CB-CZ 4.49Å; V500-F503 PolarHBondContact O-N 2.89Å; E501-F503 PolarHBondContact O-N 3.46Å; F503-K506 WeakPolarHBondContact O-CB 3.3Å; F503-K506 PolarHBondContact O-N 3.16Å; F503-V507 WeakPolarHBondContact O-CG2 3.42Å; F503-V507 PolarHBondContact O-N 2.82Å
504	M	95.3	Very high	93.6	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.034	20%	0.203	C	C	.	.	H	α-helix	trans	-68.3	-40.9	175.8	-63.2	-52.4	120.5	0	0	112.2	F225 S226 W229 L379 V500 E501 V507 F508	F225-M504 HydrophobicContact CD1-CG 4.22Å; F225-M504 HydrophobicContact CD1-SD 4.39Å; F225-M504 HydrophobicContact CE1-CG 3.82Å; F225-M504 HydrophobicContact CE1-SD 4.38Å; S226-M504 VanDerWaalsContact CB-CE 3.46Å; W229-M504 HydrophobicContact CB-SD 4Å; W229-M504 VanDerWaalsContact CD1-SD 3.59Å; W229-M504 HydrophobicContact CG-SD 3.86Å; W229-M504 PolarHBondContact NE1-O 3.12Å; L379-M504 HydrophobicContact CD1-CE 4.36Å; L379-M504 HydrophobicContact CD2-CE 3.61Å; L379-M504 HydrophobicContact CG-CE 4.1Å; V500-M504 HydrophobicContact CG1-CE 4Å; V500-M504 HydrophobicContact CG1-CG 3.98Å; V500-M504 WeakPolarHBondContact O-CG 3.09Å; V500-M504 PolarHBondContact O-N 2.04Å; E501-M504 PolarHBondContact O-N 2.92Å; M504-V507 PolarHBondContact O-N 3.19Å; M504-F508 WeakPolarHBondContact O-CB 3.04Å; M504-F508 PolarHBondContact O-N 3.1Å
505	V	97.4	Very high	94.5	Very high	60 Å²	60	29 Å²	29	36%	0.364	16%	0.164	S	C	.	.	H	α-helix	trans	-62.4	-43.7	172.6	170.4	0	0	0	0	110.4	C456 E501 I502 V507 F508 M509	C456-V505 WeakPolarHBondContact SG-CG1 3.1Å; E501-V505 WeakPolarHBondContact O-CB 3.48Å; E501-V505 VanDerWaalsContact O-CG2 3.3Å; E501-V505 WeakPolarHBondContact O-CG2 3.41Å; E501-V505 PolarHBondContact O-N 2.95Å; I502-V505 PolarHBondContact O-N 3.47Å; V505-V507 PolarHBondContact O-N 3.12Å; V505-F508 PolarHBondContact O-N 3.12Å; V505-M509 HydrophobicContact CG1-CG 4.12Å; V505-M509 WeakPolarHBondContact O-CB 3.31Å; V505-M509 VanDerWaalsContact O-CG 3.25Å; V505-M509 WeakPolarHBondContact O-CG 3.06Å; V505-M509 PolarHBondContact O-N 2.95Å
506	K	97.3	Very high	94.9	Very high	22 Å²	22	27.9 Å²	27.9	10%	0.096	15%	0.15	C	C	.	.	H	α-helix	trans	-55.2	-52	174.7	-177.8	-179.9	65.9	-179.2	0	111.6	C460 Y461 E464 I502 F503 F508 M509 L510	C460-K506 HydrophobicContact CB-CB 3.82Å; C460-K506 HydrophobicContact CB-CD 4.11Å; C460-K506 HydrophobicContact CB-CG 4.06Å; Y461-K506 HydrophobicContact CD1-CD 4.36Å; Y461-K506 HydrophobicContact CE1-CD 4.02Å; E464-K506 VanDerWaalsContact OE1-CD 3.3Å; E464-K506 WeakPolarHBondContact OE1-CD 3.41Å; E464-K506 WeakPolarHBondContact OE1-CE 3.5Å; E464-K506 IonicContact OE1-NZ 2.71Å; E464-K506 PolarHBondContact OE1-NZ 2.04Å; E464-K506 IonicContact OE2-NZ 3.17Å; E464-K506 PolarHBondContact OE2-NZ 2.81Å; I502-K506 WeakPolarHBondContact O-CB 3.42Å; I502-K506 PolarHBondContact O-N 2.91Å; F503-K506 WeakPolarHBondContact O-CB 3.3Å; F503-K506 PolarHBondContact O-N 3.16Å; K506-F508 PolarHBondContact O-N 3.1Å; K506-M509 PolarHBondContact O-N 2.91Å; K506-L510 HydrophobicContact CG-CD1 4Å; K506-L510 WeakPolarHBondContact O-CB 3.39Å; K506-L510 VanDerWaalsContact O-CG 3.28Å; K506-L510 WeakPolarHBondContact O-CG 3.37Å; K506-L510 PolarHBondContact O-N 3.37Å
507	V	96.7	Very high	94.8	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-60.3	-45.5	179	168.3	0	0	0	0	111.4	I230 F503 M504 V505 L510 L511	I230-V507 HydrophobicContact CG1-CG1 3.8Å; I230-V507 HydrophobicContact CG1-CG2 4.39Å; F503-V507 WeakPolarHBondContact O-CG2 3.42Å; F503-V507 PolarHBondContact O-N 2.82Å; M504-V507 PolarHBondContact O-N 3.19Å; V505-V507 PolarHBondContact O-N 3.12Å; V507-L510 PolarHBondContact O-N 3.4Å; V507-L511 HydrophobicContact CG1-CD1 3.86Å; V507-L511 WeakPolarHBondContact O-CG 3.32Å; V507-L511 PolarHBondContact O-N 3.49Å
508	F	97.7	Very high	94.3	Very high	51 Å²	51	25.3 Å²	25.3	22%	0.224	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-48.8	177.1	166.8	-109.2	0	0	0	111.4	W229 W233 M504 V505 K506 L510 L511 V512	W229-F508 HydrophobicContact CZ2-CB 4.09Å; W233-F508 AromaticContact CD2-CD2 3.75Å; W233-F508 HydrophobicContact CD2-CD2 3.75Å; W233-F508 HydrophobicContact CD2-CE2 4.3Å; W233-F508 AromaticContact CE2-CD2 3.51Å; W233-F508 AromaticContact CE3-CD2 3.94Å; W233-F508 HydrophobicContact CE3-CD2 3.94Å; W233-F508 HydrophobicContact CE3-CE2 4.08Å; W233-F508 HydrophobicContact CG-CD2 4.46Å; W233-F508 AromaticContact CH2-CD2 3.75Å; W233-F508 HydrophobicContact CH2-CD2 3.75Å; W233-F508 AromaticContact CH2-CE2 3.35Å; W233-F508 HydrophobicContact CH2-CE2 3.35Å; W233-F508 HydrophobicContact CH2-CZ 4.47Å; W233-F508 AromaticContact CZ2-CD2 3.52Å; W233-F508 HydrophobicContact CZ2-CD2 3.52Å; W233-F508 AromaticContact CZ2-CE2 3.57Å; W233-F508 HydrophobicContact CZ2-CE2 3.57Å; W233-F508 AromaticContact CZ3-CD2 3.95Å; W233-F508 HydrophobicContact CZ3-CD2 3.95Å; W233-F508 AromaticContact CZ3-CE2 3.62Å; W233-F508 HydrophobicContact CZ3-CE2 3.62Å; M504-F508 WeakPolarHBondContact O-CB 3.04Å; M504-F508 PolarHBondContact O-N 3.1Å; V505-F508 PolarHBondContact O-N 3.12Å; K506-F508 PolarHBondContact O-N 3.1Å; F508-L510 VanDerWaalsContact C-N 3.31Å; F508-L510 PolarHBondContact O-N 3.35Å; F508-L511 PolarHBondContact O-N 2.89Å; F508-L511 VanDerWaalsContact O-N 3.15Å; F508-V512 HydrophobicContact CD2-CB 4.4Å; F508-V512 HydrophobicContact CE2-CB 3.99Å; F508-V512 HydrophobicContact CE2-CG2 3.96Å; F508-V512 HydrophobicContact CZ-CB 4.13Å; F508-V512 HydrophobicContact CZ-CG2 3.9Å; F508-V512 VanDerWaalsContact O-CB 3.31Å; F508-V512 WeakPolarHBondContact O-CB 3.38Å; F508-V512 WeakPolarHBondContact O-CG1 3.02Å; F508-V512 PolarHBondContact O-N 2.83Å
509	M	97.6	Very high	93.7	Very high	38 Å²	38	29.3 Å²	29.3	19%	0.187	16%	0.155	C	C	.	.	H	α-helix	trans	-67.2	-30	-179.5	-68.1	-63.5	177.9	0	0	112.8	P453 C456 V457 V505 K506 V512	P453-M509 HydrophobicContact CB-CB 4.16Å; P453-M509 WeakPolarHBondContact CB-O 3.28Å; P453-M509 HydrophobicContact CB-SD 4.1Å; P453-M509 HydrophobicContact CG-SD 4.29Å; C456-M509 HydrophobicContact CB-CB 4.45Å; C456-M509 HydrophobicContact CB-CG 3.91Å; C456-M509 HydrophobicContact CB-SD 4.42Å; V457-M509 HydrophobicContact CG2-CB 3.72Å; V505-M509 HydrophobicContact CG1-CG 4.12Å; V505-M509 WeakPolarHBondContact O-CB 3.31Å; V505-M509 VanDerWaalsContact O-CG 3.25Å; V505-M509 WeakPolarHBondContact O-CG 3.06Å; V505-M509 PolarHBondContact O-N 2.95Å; K506-M509 PolarHBondContact O-N 2.91Å; M509-V512 HydrophobicContact SD-CG1 4.33Å
510	L	96.9	Very high	93.1	Very high	23 Å²	23	29.1 Å²	29.1	12%	0.12	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-44.8	170.6	-74.2	164.6	0	0	0	111.4	Y269 Y272 V457 K506 V507 F508	Y269-L510 WeakPolarHBondContact CE1-O 3.25Å; Y272-L510 HydrophobicContact CE1-CB 4.34Å; V457-L510 HydrophobicContact CG1-CD2 3.92Å; V457-L510 HydrophobicContact CG1-CG 4.34Å; V457-L510 HydrophobicContact CG2-CD2 3.95Å; V457-L510 HydrophobicContact CG2-CG 3.8Å; K506-L510 HydrophobicContact CG-CD1 4Å; K506-L510 WeakPolarHBondContact O-CB 3.39Å; K506-L510 VanDerWaalsContact O-CG 3.28Å; K506-L510 WeakPolarHBondContact O-CG 3.37Å; K506-L510 PolarHBondContact O-N 3.37Å; V507-L510 PolarHBondContact O-N 3.4Å; F508-L510 VanDerWaalsContact C-N 3.31Å; F508-L510 PolarHBondContact O-N 3.35Å
511	L	96.9	Very high	92.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-86.1	-29.4	-172.1	-67.7	169.9	0	0	0	114.1	W233 C237 Y272 Y276 V507 F508 V513 G514	W233-L511 HydrophobicContact CB-CB 4.24Å; W233-L511 HydrophobicContact CB-CD1 3.61Å; C237-L511 HydrophobicContact CB-CB 4.21Å; C237-L511 HydrophobicContact CB-CD2 4.08Å; C237-L511 PolarHBondContact SG-O 2.84Å; C237-L511 VanDerWaalsContact SG-O 3.42Å; Y272-L511 HydrophobicContact CD1-CD2 4.22Å; Y272-L511 HydrophobicContact CE1-CD2 4.21Å; Y276-L511 HydrophobicContact CD2-CD2 4.04Å; Y276-L511 HydrophobicContact CE2-CD2 4.23Å; V507-L511 HydrophobicContact CG1-CD1 3.86Å; V507-L511 WeakPolarHBondContact O-CG 3.32Å; V507-L511 PolarHBondContact O-N 3.49Å; F508-L511 PolarHBondContact O-N 2.89Å; F508-L511 VanDerWaalsContact O-N 3.15Å; L511-V513 PolarHBondContact O-N 3.01Å; L511-G514 PolarHBondContact O-N 3.18Å; L511-G514 VanDerWaalsContact O-N 3.1Å
512	V	96.6	Very high	91.6	Very high	25 Å²	25	29.8 Å²	29.8	15%	0.152	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-29.2	-178.1	72.8	0	0	0	0	112.3	P453 F508 M509 G514 I515 T516	P453-V512 HydrophobicContact CB-CG1 4.17Å; P453-V512 HydrophobicContact CG-CG1 3.89Å; F508-V512 HydrophobicContact CD2-CB 4.4Å; F508-V512 HydrophobicContact CE2-CB 3.99Å; F508-V512 HydrophobicContact CE2-CG2 3.96Å; F508-V512 HydrophobicContact CZ-CB 4.13Å; F508-V512 HydrophobicContact CZ-CG2 3.9Å; F508-V512 VanDerWaalsContact O-CB 3.31Å; F508-V512 WeakPolarHBondContact O-CB 3.38Å; F508-V512 WeakPolarHBondContact O-CG1 3.02Å; F508-V512 PolarHBondContact O-N 2.83Å; M509-V512 HydrophobicContact SD-CG1 4.33Å; V512-G514 VanDerWaalsContact C-N 3.34Å; V512-G514 PolarHBondContact O-N 3.33Å; V512-I515 WeakPolarHBondContact O-CA 3.33Å; V512-I515 WeakPolarHBondContact O-CB 3.41Å; V512-I515 PolarHBondContact O-N 3.06Å; V512-I515 VanDerWaalsContact O-N 3.08Å; V512-T516 HydrophobicContact CG2-CG2 4.27Å; V512-T516 WeakPolarHBondContact O-CG2 3.45Å; V512-T516 PolarHBondContact O-N 3.28Å; V512-T516 PolarHBondContact O-OG1 3.19Å
513	V	94.6	Very high	90.8	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-61.8	-40.6	177.1	176.2	0	0	0	0	112.2	L265 Y269 Y450 P453 L511 I515 T516 S517	L265-V513 HydrophobicContact CD2-CG1 4.16Å; Y269-V513 HydrophobicContact CD2-CG1 4.08Å; Y269-V513 HydrophobicContact CE1-CB 4.19Å; Y269-V513 HydrophobicContact CE1-CG1 4.43Å; Y269-V513 HydrophobicContact CE2-CB 3.91Å; Y269-V513 HydrophobicContact CE2-CG1 3.27Å; Y269-V513 VanDerWaalsContact CZ-CG1 3.47Å; Y269-V513 WeakPolarHBondContact OH-CG1 3.13Å; Y450-V513 HydrophobicContact CD2-CG1 3.41Å; Y450-V513 VanDerWaalsContact CD2-CG1 3.41Å; Y450-V513 HydrophobicContact CD2-CG2 4.29Å; Y450-V513 HydrophobicContact CE2-CB 4.38Å; Y450-V513 HydrophobicContact CE2-CG1 3.23Å; Y450-V513 HydrophobicContact CE2-CG2 4.27Å; P453-V513 HydrophobicContact CB-CG2 3.66Å; P453-V513 HydrophobicContact CG-CG2 3.96Å; L511-V513 PolarHBondContact O-N 3.01Å; V513-I515 VanDerWaalsContact C-N 3.28Å; V513-I515 PolarHBondContact O-N 3.28Å; V513-T516 WeakPolarHBondContact CA-OG1 3.46Å; V513-T516 PolarHBondContact O-N 2.92Å; V513-T516 PolarHBondContact O-OG1 3.24Å; V513-T516 VanDerWaalsContact O-OG1 3.12Å; V513-S517 WeakPolarHBondContact O-CB 3.1Å; V513-S517 PolarHBondContact O-N 2.75Å; V513-S517 PolarHBondContact O-OG 3.32Å
514	G	94.2	Very high	89.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-38.7	173.5	0	0	0	0	0	111.4	S241 L511 V512 S517 G518	S241-G514 PolarHBondContact OG-O 2.89Å; L511-G514 PolarHBondContact O-N 3.18Å; L511-G514 VanDerWaalsContact O-N 3.1Å; V512-G514 VanDerWaalsContact C-N 3.34Å; V512-G514 PolarHBondContact O-N 3.33Å; G514-S517 PolarHBondContact O-OG 3.15Å; G514-G518 PolarHBondContact O-N 3.37Å; G514-G518 VanDerWaalsContact O-N 3.13Å
515	I	94.3	Very high	88.8	Confident	27 Å²	27	40.5 Å²	40.5	14%	0.138	20%	0.204	C	C	.	.	H	α-helix	trans	-66.2	-48	178.1	-56.1	173.8	0	0	0	111.1	W233 L236 C237 S240 V512 V513 G518 M519	W233-I515 HydrophobicContact CE3-CD1 3.69Å; W233-I515 HydrophobicContact CZ3-CD1 3.84Å; L236-I515 HydrophobicContact CB-CD1 3.81Å; L236-I515 HydrophobicContact CB-CG1 4.41Å; C237-I515 HydrophobicContact CB-CG1 4.17Å; S240-I515 PolarHBondContact OG-O 3.43Å; V512-I515 WeakPolarHBondContact O-CA 3.33Å; V512-I515 WeakPolarHBondContact O-CB 3.41Å; V512-I515 PolarHBondContact O-N 3.06Å; V512-I515 VanDerWaalsContact O-N 3.08Å; V513-I515 VanDerWaalsContact C-N 3.28Å; V513-I515 PolarHBondContact O-N 3.28Å; I515-G518 PolarHBondContact O-N 3.49Å; I515-G518 VanDerWaalsContact O-N 3.14Å; I515-M519 HydrophobicContact CG2-CE 4.38Å; I515-M519 PolarHBondContact O-N 2.04Å; I515-M519 VanDerWaalsContact O-N 3.09Å
516	T	91.6	Very high	87.9	Confident	42 Å²	42	37.8 Å²	37.8	26%	0.258	19%	0.187	S	C	.	.	H	α-helix	trans	-68	-37.2	-178.6	57	0	0	0	0	112.5	V512 V513 G518 M519 W520	V512-T516 HydrophobicContact CG2-CG2 4.27Å; V512-T516 WeakPolarHBondContact O-CG2 3.45Å; V512-T516 PolarHBondContact O-N 3.28Å; V512-T516 PolarHBondContact O-OG1 3.19Å; V513-T516 WeakPolarHBondContact CA-OG1 3.46Å; V513-T516 PolarHBondContact O-N 2.92Å; V513-T516 PolarHBondContact O-OG1 3.24Å; V513-T516 VanDerWaalsContact O-OG1 3.12Å; T516-G518 PolarHBondContact O-N 3.1Å; T516-M519 HydrophobicContact CG2-CE 3.76Å; T516-M519 PolarHBondContact O-N 2.92Å; T516-W520 PolarHBondContact O-N 3.29Å
517	S	87.7	Confident	87	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-30.1	171.9	70.8	0	0	0	0	112.7	S266 V513 G514 W520	S266-S517 VanDerWaalsContact OG-CB 3.28Å; S266-S517 WeakPolarHBondContact OG-CB 3.5Å; S266-S517 PolarHBondContact OG-OG 3.49Å; V513-S517 WeakPolarHBondContact O-CB 3.1Å; V513-S517 PolarHBondContact O-N 2.75Å; V513-S517 PolarHBondContact O-OG 3.32Å; G514-S517 PolarHBondContact O-OG 3.15Å; S517-W520 WeakPolarHBondContact O-CB 3.19Å
518	G	80.9	Confident	86.1	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-48.7	172	0	0	0	0	0	113.8	S240 T244 G514 I515 T516 W520 I521 W522	S240-G518 WeakPolarHBondContact OG-CA 3.47Å; T244-G518 WeakPolarHBondContact OG1-CA 3.28Å; G514-G518 PolarHBondContact O-N 3.37Å; G514-G518 VanDerWaalsContact O-N 3.13Å; I515-G518 PolarHBondContact O-N 3.49Å; I515-G518 VanDerWaalsContact O-N 3.14Å; T516-G518 PolarHBondContact O-N 3.1Å; G518-W520 PolarHBondContact O-N 2.94Å; G518-W520 VanDerWaalsContact O-N 3.16Å; G518-I521 PolarHBondContact O-N 3.39Å; G518-I521 VanDerWaalsContact O-N 3.15Å; G518-W522 VanDerWaalsContact O-CD1 3.25Å; G518-W522 PolarHBondContact O-NE1 3.28Å
519	M	79.9	Confident	85.1	Confident	89 Å²	89	45.4 Å²	45.4	44%	0.438	23%	0.228	S	C	.	.	H	α-helix	trans	-59.2	-28.1	178.3	-68.3	-171.5	-70.1	0	0	112.8	I515 T516 I521 W522	I515-M519 HydrophobicContact CG2-CE 4.38Å; I515-M519 PolarHBondContact O-N 2.04Å; I515-M519 VanDerWaalsContact O-N 3.09Å; T516-M519 HydrophobicContact CG2-CE 3.76Å; T516-M519 PolarHBondContact O-N 2.92Å; M519-I521 PolarHBondContact O-N 3.15Å; M519-W522 HydrophobicContact CG-CE3 4.33Å; M519-W522 HydrophobicContact CG-CH2 4.42Å; M519-W522 HydrophobicContact CG-CZ3 4.24Å; M519-W522 WeakPolarHBondContact O-CB 3.31Å; M519-W522 PolarHBondContact O-N 2.64Å; M519-W522 VanDerWaalsContact O-N 3.15Å
520	W	80.8	Confident	84.3	Confident	27 Å²	27	45.8 Å²	45.8	10%	0.102	23%	0.228	C	C	.	.	H	α-helix	trans	-54.1	-38.5	176.4	-180	-104.1	0	0	0	113.5	I262 R442 I443 F446 T516 S517 G518 W522	I262-W520 HydrophobicContact CD1-CD2 4.35Å; I262-W520 HydrophobicContact CD1-CG 4.33Å; I262-W520 HydrophobicContact CD1-CZ2 4.34Å; R442-W520 HydrophobicContact CB-CH2 3.52Å; R442-W520 HydrophobicContact CB-CZ2 4.4Å; R442-W520 HydrophobicContact CB-CZ3 4.2Å; R442-W520 HydrophobicContact CG-CH2 3.16Å; R442-W520 HydrophobicContact CG-CZ2 4.13Å; R442-W520 HydrophobicContact CG-CZ3 3.45Å; R442-W520 VanDerWaalsContact CG-CZ3 3.45Å; R442-W520 PolarHBondContact NH2-O 3.45Å; R442-W520 VanDerWaalsContact O-CH2 3.25Å; R442-W520 WeakPolarHBondContact O-CH2 3.36Å; R442-W520 WeakPolarHBondContact O-CZ3 3.35Å; I443-W520 HydrophobicContact CG1-CH2 4.23Å; I443-W520 HydrophobicContact CG1-CZ2 3.89Å; F446-W520 HydrophobicContact CB-CE3 3.82Å; F446-W520 HydrophobicContact CB-CH2 4.17Å; F446-W520 HydrophobicContact CB-CZ3 3.56Å; F446-W520 HydrophobicContact CD2-CD2 4.4Å; F446-W520 AromaticContact CD2-CE3 3.85Å; F446-W520 HydrophobicContact CD2-CE3 3.85Å; F446-W520 HydrophobicContact CD2-CZ3 4.44Å; F446-W520 HydrophobicContact CE2-CB 4.37Å; F446-W520 HydrophobicContact CG-CD2 4.38Å; F446-W520 AromaticContact CG-CE3 3.9Å; F446-W520 HydrophobicContact CG-CE3 3.9Å; F446-W520 HydrophobicContact CG-CZ3 4.15Å; T516-W520 PolarHBondContact O-N 3.29Å; S517-W520 WeakPolarHBondContact O-CB 3.19Å; G518-W520 PolarHBondContact O-N 2.94Å; G518-W520 VanDerWaalsContact O-N 3.16Å; W520-W522 VanDerWaalsContact C-N 3.33Å
521	I	78.7	Confident	83.6	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-84.7	-13.2	-174.1	-57.6	-172.6	0	0	0	111.5	T244 T247 F255 I263 G518 M519 T523 T526	T244-I521 HydrophobicContact CG2-CD1 3.24Å; T244-I521 HydrophobicContact CG2-CG1 4.39Å; T244-I521 WeakPolarHBondContact OG1-CD1 3.47Å; T247-I521 HydrophobicContact CG2-CG2 3.84Å; F255-I521 HydrophobicContact CE1-CD1 4.13Å; F255-I521 HydrophobicContact CE1-CG1 4.34Å; F255-I521 HydrophobicContact CE1-CG2 4.19Å; F255-I521 HydrophobicContact CZ-CD1 4.21Å; F255-I521 HydrophobicContact CZ-CG2 3.8Å; I263-I521 HydrophobicContact CD1-CD1 3.42Å; I263-I521 VanDerWaalsContact CD1-CD1 3.42Å; G518-I521 PolarHBondContact O-N 3.39Å; G518-I521 VanDerWaalsContact O-N 3.15Å; M519-I521 PolarHBondContact O-N 3.15Å; I521-T523 PolarHBondContact O-N 3.19Å; I521-T523 PolarHBondContact O-OG1 2.82Å; I521-T523 VanDerWaalsContact O-OG1 3.11Å; I521-T526 HydrophobicContact CG2-CG2 4.37Å; I521-T526 WeakPolarHBondContact O-CB 3.29Å; I521-T526 PolarHBondContact O-OG1 3.18Å
522	W	78.1	Confident	82.6	Confident	152 Å²	152	54 Å²	54	58%	0.576	27%	0.269	S	S	*	.			trans	-69.2	96.3	180	-64.2	7.8	0	0	0	110	F243 G518 M519 W520	F243-W522 AromaticContact CD1-CD1 3.93Å; F243-W522 AromaticContact CD1-NE1 3.46Å; F243-W522 AromaticContact CE1-CD1 3.6Å; F243-W522 AromaticContact CE1-NE1 3.55Å; G518-W522 VanDerWaalsContact O-CD1 3.25Å; G518-W522 PolarHBondContact O-NE1 3.28Å; M519-W522 HydrophobicContact CG-CE3 4.33Å; M519-W522 HydrophobicContact CG-CH2 4.42Å; M519-W522 HydrophobicContact CG-CZ3 4.24Å; M519-W522 WeakPolarHBondContact O-CB 3.31Å; M519-W522 PolarHBondContact O-N 2.64Å; M519-W522 VanDerWaalsContact O-N 3.15Å; W520-W522 VanDerWaalsContact C-N 3.33Å
523	T	77.8	Confident	81.9	Confident	43 Å²	43	54.5 Å²	54.5	26%	0.264	27%	0.272	S	S	.	.	S	Bend	trans	-141.2	158.3	-178.5	50.9	0	0	0	0	107.9	R254 I521 K525 T526 L527	R254-T523 PolarHBondContact NH2-OG1 2.77Å; I521-T523 PolarHBondContact O-N 3.19Å; I521-T523 PolarHBondContact O-OG1 2.82Å; I521-T523 VanDerWaalsContact O-OG1 3.11Å; T523-K525 PolarHBondContact O-N 3.33Å; T523-T526 WeakPolarHBondContact O-CA 3.46Å; T523-T526 VanDerWaalsContact O-CB 3.28Å; T523-T526 WeakPolarHBondContact O-CB 3.39Å; T523-T526 PolarHBondContact O-N 3.28Å; T523-T526 PolarHBondContact OG1-OG1 3.3Å; T523-L527 PolarHBondContact O-N 3.18Å
524	S	74.3	Confident	81.1	Confident	96 Å²	96	59.9 Å²	59.9	67%	0.671	30%	0.295	S	S	*	.	H	α-helix	trans	-56.1	-29	178.9	-43.4	0	0	0	0	112.8	T526 L527 Q528	S524-T526 VanDerWaalsContact C-N 3.33Å; S524-T526 PolarHBondContact O-N 3.2Å; S524-L527 PolarHBondContact O-N 3.19Å; S524-Q528 WeakPolarHBondContact O-CG 3.3Å; S524-Q528 PolarHBondContact O-N 3.39Å; S524-Q528 VanDerWaalsContact O-N 3.1Å
525	K	75.9	Confident	80.3	Confident	146 Å²	146	62.7 Å²	62.7	64%	0.635	32%	0.315	S	S	*	.	H	α-helix	trans	-64.9	-34.4	173.6	-65.5	-174.5	179.5	-179.3	0	113.1	T523 Q528 S529	T523-K525 PolarHBondContact O-N 3.33Å; K525-Q528 PolarHBondContact O-N 2.91Å; K525-S529 PolarHBondContact O-N 3.13Å
526	T	78.4	Confident	79.2	Confident	4 Å²	4	70.6 Å²	70.6	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-44	175.2	-57.4	0	0	0	0	110.2	F243 T247 R254 I521 T523 S524 Q528 S529 W530	F243-T526 HydrophobicContact CE1-CG2 3.85Å; F243-T526 HydrophobicContact CZ-CG2 3.76Å; T247-T526 HydrophobicContact CG2-CG2 3.79Å; R254-T526 PolarHBondContact NH1-OG1 2.95Å; R254-T526 PolarHBondContact NH2-OG1 3.05Å; I521-T526 HydrophobicContact CG2-CG2 4.37Å; I521-T526 WeakPolarHBondContact O-CB 3.29Å; I521-T526 PolarHBondContact O-OG1 3.18Å; T523-T526 WeakPolarHBondContact O-CA 3.46Å; T523-T526 VanDerWaalsContact O-CB 3.28Å; T523-T526 WeakPolarHBondContact O-CB 3.39Å; T523-T526 PolarHBondContact O-N 3.28Å; T523-T526 PolarHBondContact OG1-OG1 3.3Å; S524-T526 VanDerWaalsContact C-N 3.33Å; S524-T526 PolarHBondContact O-N 3.2Å; T526-Q528 VanDerWaalsContact C-N 3.31Å; T526-Q528 PolarHBondContact O-N 2.9Å; T526-S529 PolarHBondContact O-N 2.95Å; T526-W530 VanDerWaalsContact O-CD1 3.25Å; T526-W530 PolarHBondContact O-N 3.02Å
527	L	77.1	Confident	78.3	Confident	108 Å²	108	75.6 Å²	75.6	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-58.2	-43.1	174.9	-172.1	68.3	0	0	0	111.9	T523 S524 W530 Q531	T523-L527 PolarHBondContact O-N 3.18Å; S524-L527 PolarHBondContact O-N 3.19Å; L527-W530 PolarHBondContact O-N 3.47Å; L527-Q531 HydrophobicContact CG-CG 4.46Å; L527-Q531 WeakPolarHBondContact O-CB 3.26Å; L527-Q531 VanDerWaalsContact O-CG 3.24Å; L527-Q531 WeakPolarHBondContact O-CG 3.46Å; L527-Q531 PolarHBondContact O-N 3.13Å
528	Q	77.9	Confident	77.2	Confident	111 Å²	111	81.2 Å²	81.2	52%	0.519	39%	0.391	S	S	.	.	H	α-helix	trans	-63.3	-42.3	176.6	-72	173.5	4.6	0	0	112.9	S524 K525 T526 W530 Q531 N532	S524-Q528 WeakPolarHBondContact O-CG 3.3Å; S524-Q528 PolarHBondContact O-N 3.39Å; S524-Q528 VanDerWaalsContact O-N 3.1Å; K525-Q528 PolarHBondContact O-N 2.91Å; T526-Q528 VanDerWaalsContact C-N 3.31Å; T526-Q528 PolarHBondContact O-N 2.9Å; Q528-W530 VanDerWaalsContact C-N 3.35Å; Q528-W530 PolarHBondContact O-N 3.32Å; Q528-Q531 PolarHBondContact O-N 3.45Å; Q528-N532 WeakPolarHBondContact O-CB 3.38Å; Q528-N532 PolarHBondContact O-N 3.47Å; Q528-N532 PolarHBondContact O-ND2 3.45Å
529	S	77.3	Confident	76.2	Confident	16 Å²	16	88.9 Å²	88.9	11%	0.112	42%	0.424	C	S	.	.	H	α-helix	trans	-60.8	-45.3	176.4	-171.6	0	0	0	0	111.3	I250 K525 T526 N532 V533	I250-S529 WeakPolarHBondContact CG2-OG 3.46Å; K525-S529 PolarHBondContact O-N 3.13Å; T526-S529 PolarHBondContact O-N 2.95Å; S529-N532 PolarHBondContact O-N 3.15Å; S529-V533 WeakPolarHBondContact O-CG2 3.33Å; S529-V533 PolarHBondContact O-N 2.56Å; S529-V533 VanDerWaalsContact O-N 3.11Å
530	W	81.4	Confident	75.2	Confident	47 Å²	47	91.7 Å²	91.7	18%	0.178	43%	0.434	C	S	.	.	H	α-helix	trans	-67	-41.7	176	-80.1	94.5	0	0	0	112.7	F243 L246 T247 I250 T526 L527 Q528 N532 V533 F534	F243-W530 AromaticContact CD2-CZ2 3.76Å; F243-W530 HydrophobicContact CD2-CZ2 3.76Å; F243-W530 AromaticContact CE2-CD1 3.94Å; F243-W530 HydrophobicContact CE2-CD2 4.14Å; F243-W530 AromaticContact CE2-CE2 3.41Å; F243-W530 VanDerWaalsContact CE2-CE2 3.41Å; F243-W530 HydrophobicContact CE2-CG 4.43Å; F243-W530 AromaticContact CE2-CZ2 3.64Å; F243-W530 HydrophobicContact CE2-CZ2 3.64Å; F243-W530 AromaticContact CE2-NE1 3.3Å; F243-W530 VanDerWaalsContact CE2-NE1 3.3Å; F243-W530 AromaticContact CZ-CD1 3.83Å; F243-W530 AromaticContact CZ-NE1 3.41Å; L246-W530 HydrophobicContact CB-CH2 4.26Å; L246-W530 HydrophobicContact CB-CZ2 4.05Å; L246-W530 HydrophobicContact CD1-CH2 4.4Å; T247-W530 PolarHBondContact OG1-NE1 3.17Å; I250-W530 HydrophobicContact CD1-CD2 4.24Å; I250-W530 HydrophobicContact CD1-CE3 4.41Å; I250-W530 HydrophobicContact CD1-CH2 4.15Å; I250-W530 HydrophobicContact CD1-CZ2 3.91Å; I250-W530 HydrophobicContact CD1-CZ3 4.38Å; T526-W530 VanDerWaalsContact O-CD1 3.25Å; T526-W530 PolarHBondContact O-N 3.02Å; L527-W530 PolarHBondContact O-N 3.47Å; Q528-W530 VanDerWaalsContact C-N 3.35Å; Q528-W530 PolarHBondContact O-N 3.32Å; W530-N532 VanDerWaalsContact C-N 3.29Å; W530-N532 PolarHBondContact O-N 3.18Å; W530-V533 PolarHBondContact O-N 3.18Å; W530-V533 VanDerWaalsContact O-N 3.12Å; W530-F534 HydrophobicContact CB-CD2 4.33Å; W530-F534 HydrophobicContact CB-CE2 4.27Å; W530-F534 HydrophobicContact CD2-CE2 4.42Å; W530-F534 HydrophobicContact CE3-CD2 4.34Å; W530-F534 AromaticContact CE3-CE2 3.54Å; W530-F534 HydrophobicContact CE3-CE2 3.54Å; W530-F534 AromaticContact CE3-CZ 3.96Å; W530-F534 HydrophobicContact CE3-CZ 3.96Å; W530-F534 HydrophobicContact CZ3-CE2 4.28Å; W530-F534 HydrophobicContact CZ3-CZ 4.23Å; W530-F534 WeakPolarHBondContact O-CD2 3.48Å; W530-F534 PolarHBondContact O-N 2.93Å
531	Q	80.6	Confident	74	Confident	98 Å²	98	99.4 Å²	99.4	46%	0.458	46%	0.463	S	S	.	.	H	α-helix	trans	-56.6	-42.5	172.9	-78.8	173.6	-16.5	0	0	111.5	L527 Q528 V533 F534 S535	L527-Q531 HydrophobicContact CG-CG 4.46Å; L527-Q531 WeakPolarHBondContact O-CB 3.26Å; L527-Q531 VanDerWaalsContact O-CG 3.24Å; L527-Q531 WeakPolarHBondContact O-CG 3.46Å; L527-Q531 PolarHBondContact O-N 3.13Å; Q528-Q531 PolarHBondContact O-N 3.45Å; Q531-V533 PolarHBondContact O-N 2.8Å; Q531-F534 PolarHBondContact O-N 3.07Å; Q531-S535 WeakPolarHBondContact O-CB 3.42Å; Q531-S535 PolarHBondContact O-N 3.49Å; Q531-S535 PolarHBondContact O-OG 3.46Å
532	N	76.9	Confident	73	Confident	97 Å²	97	103.6 Å²	103.6	52%	0.519	49%	0.489	S	S	.	.	H	α-helix	trans	-63.9	-38.9	176.4	-75.2	-26.2	0	0	0	112.3	Q528 S529 W530 R536	Q528-N532 WeakPolarHBondContact O-CB 3.38Å; Q528-N532 PolarHBondContact O-N 3.47Å; Q528-N532 PolarHBondContact O-ND2 3.45Å; S529-N532 PolarHBondContact O-N 3.15Å; W530-N532 VanDerWaalsContact C-N 3.29Å; W530-N532 PolarHBondContact O-N 3.18Å; N532-R536 VanDerWaalsContact O-CB 3.27Å; N532-R536 WeakPolarHBondContact O-CB 3.41Å; N532-R536 WeakPolarHBondContact O-CG 3.45Å; N532-R536 PolarHBondContact O-N 3.35Å
533	V	80.7	Confident	71.9	Confident	35 Å²	35	106.2 Å²	106.2	21%	0.212	50%	0.498	C	S	.	.	H	α-helix	trans	-67.5	-47.6	175.3	173.7	0	0	0	0	111.6	I250 S529 W530 Q531 S535 R536 K537	I250-V533 HydrophobicContact CD1-CG2 4.2Å; I250-V533 HydrophobicContact CG1-CG2 4.35Å; I250-V533 HydrophobicContact CG2-CG2 3.68Å; S529-V533 WeakPolarHBondContact O-CG2 3.33Å; S529-V533 PolarHBondContact O-N 2.56Å; S529-V533 VanDerWaalsContact O-N 3.11Å; W530-V533 PolarHBondContact O-N 3.18Å; W530-V533 VanDerWaalsContact O-N 3.12Å; Q531-V533 PolarHBondContact O-N 2.8Å; V533-S535 VanDerWaalsContact C-N 3.34Å; V533-S535 PolarHBondContact O-N 3.06Å; V533-R536 PolarHBondContact O-N 2.78Å; V533-K537 WeakPolarHBondContact O-CB 3.14Å; V533-K537 PolarHBondContact O-N 3.2Å
534	F	79.7	Confident	70.6	Confident	116 Å²	116	113.4 Å²	113.4	51%	0.509	52%	0.521	S	S	.	.	H	α-helix	trans	-63.1	-41.1	177.4	-76	-65.5	0	0	0	111.6	W530 Q531 K537 L538	W530-F534 HydrophobicContact CB-CD2 4.33Å; W530-F534 HydrophobicContact CB-CE2 4.27Å; W530-F534 HydrophobicContact CD2-CE2 4.42Å; W530-F534 HydrophobicContact CE3-CD2 4.34Å; W530-F534 AromaticContact CE3-CE2 3.54Å; W530-F534 HydrophobicContact CE3-CE2 3.54Å; W530-F534 AromaticContact CE3-CZ 3.96Å; W530-F534 HydrophobicContact CE3-CZ 3.96Å; W530-F534 HydrophobicContact CZ3-CE2 4.28Å; W530-F534 HydrophobicContact CZ3-CZ 4.23Å; W530-F534 WeakPolarHBondContact O-CD2 3.48Å; W530-F534 PolarHBondContact O-N 2.93Å; Q531-F534 PolarHBondContact O-N 3.07Å; F534-K537 PolarHBondContact O-N 3.4Å; F534-L538 WeakPolarHBondContact O-CB 2.93Å; F534-L538 PolarHBondContact O-N 3.25Å
535	S	76.6	Confident	69.5	Low	60 Å²	60	115.8 Å²	115.8	42%	0.42	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-41.2	176.3	-58.1	0	0	0	0	112.2	Q531 V533 L538 K539	Q531-S535 WeakPolarHBondContact O-CB 3.42Å; Q531-S535 PolarHBondContact O-N 3.49Å; Q531-S535 PolarHBondContact O-OG 3.46Å; V533-S535 VanDerWaalsContact C-N 3.34Å; V533-S535 PolarHBondContact O-N 3.06Å; S535-L538 PolarHBondContact O-N 2.87Å; S535-K539 WeakPolarHBondContact O-CB 3.4Å; S535-K539 WeakPolarHBondContact O-CG 3.43Å; S535-K539 PolarHBondContact O-N 3.43Å
536	R	71.7	Confident	68.3	Low	193 Å²	193	111.4 Å²	111.4	73%	0.728	51%	0.51	S	S	*	.	H	α-helix	trans	-66.8	-41.1	174.5	-76.7	174.2	179.1	-171.2	0.7	111.6	N532 V533 K539 K540	N532-R536 VanDerWaalsContact O-CB 3.27Å; N532-R536 WeakPolarHBondContact O-CB 3.41Å; N532-R536 WeakPolarHBondContact O-CG 3.45Å; N532-R536 PolarHBondContact O-N 3.35Å; V533-R536 PolarHBondContact O-N 2.78Å; R536-K539 PolarHBondContact O-N 3.02Å; R536-K540 WeakPolarHBondContact O-CB 3.49Å; R536-K540 PolarHBondContact O-N 3.2Å
537	K	71.1	Confident	66.9	Low	147 Å²	147	114.2 Å²	114.2	64%	0.639	53%	0.534	S	S	*	.	H	α-helix	trans	-65.5	-41.7	174.8	-79.3	-169.9	178.5	-177.1	0	111.8	V533 F534 K540 R541	V533-K537 WeakPolarHBondContact O-CB 3.14Å; V533-K537 PolarHBondContact O-N 3.2Å; F534-K537 PolarHBondContact O-N 3.4Å; K537-K540 PolarHBondContact O-N 3.11Å; K537-R541 WeakPolarHBondContact O-CB 2.98Å; K537-R541 PolarHBondContact O-N 2.96Å
538	L	65.9	Low	65.6	Low	118 Å²	118	112.9 Å²	112.9	62%	0.618	53%	0.534	S	S	*	.	H	α-helix	trans	-59.8	-52.9	172.2	-107.6	85.6	0	0	0	110.4	F534 S535 K540 R541 T542	F534-L538 WeakPolarHBondContact O-CB 2.93Å; F534-L538 PolarHBondContact O-N 3.25Å; S535-L538 PolarHBondContact O-N 2.87Å; L538-K540 VanDerWaalsContact C-N 3.31Å; L538-K540 PolarHBondContact O-N 2.83Å; L538-R541 CarbonylContact O-C 3.54Å; L538-R541 WeakPolarHBondContact O-CA 3.1Å; L538-R541 WeakPolarHBondContact O-CB 3.12Å; L538-R541 PolarHBondContact O-N 3.2Å; L538-T542 PolarHBondContact O-N 3.07Å; L538-T542 PolarHBondContact O-OG1 2.78Å
539	K	60.3	Low	64.2	Low	161 Å²	161	112.8 Å²	112.8	70%	0.7	54%	0.54	S	S	*	.	H	α-helix	trans	-57.3	-39.2	177.7	-77.9	-178.2	177.9	-178.5	0	113.1	S535 R536 T542 R543	S535-K539 WeakPolarHBondContact O-CB 3.4Å; S535-K539 WeakPolarHBondContact O-CG 3.43Å; S535-K539 PolarHBondContact O-N 3.43Å; R536-K539 PolarHBondContact O-N 3.02Å; K539-T542 PolarHBondContact O-N 3.07Å; K539-R543 WeakPolarHBondContact O-CB 3.49Å; K539-R543 PolarHBondContact O-N 3.48Å
540	K	58.5	Low	62.8	Low	148 Å²	148	121 Å²	121	64%	0.643	57%	0.574	S	S	*	*	H	α-helix	trans	-68.9	-35.2	176.2	-138.8	176.3	-171.9	-180	0	111.9	R536 K537 L538 R544	R536-K540 WeakPolarHBondContact O-CB 3.49Å; R536-K540 PolarHBondContact O-N 3.2Å; K537-K540 PolarHBondContact O-N 3.11Å; L538-K540 VanDerWaalsContact C-N 3.31Å; L538-K540 PolarHBondContact O-N 2.83Å; K540-R544 PolarHBondContact O-N 2.04Å
541	R	55.7	Low	61	Low	189 Å²	189	124.4 Å²	124.4	71%	0.713	60%	0.6	S	S	*	*	H	α-helix	trans	-71.7	-37.9	175.2	-155.3	175.5	-174	179.2	1	111.5	K537 L538 R544 K545	K537-R541 WeakPolarHBondContact O-CB 2.98Å; K537-R541 PolarHBondContact O-N 2.96Å; L538-R541 CarbonylContact O-C 3.54Å; L538-R541 WeakPolarHBondContact O-CA 3.1Å; L538-R541 WeakPolarHBondContact O-CB 3.12Å; L538-R541 PolarHBondContact O-N 3.2Å; R541-R544 PolarHBondContact O-N 3.45Å; R541-K545 PolarHBondContact O-N 2.9Å
542	T	57.5	Low	59.2	Low	91 Å²	91	124.1 Å²	124.1	56%	0.558	61%	0.609	S	S	*	*	H	α-helix	trans	-67.6	-40.8	172.6	-35.2	0	0	0	0	111.5	L538 K539 K545 A546	L538-T542 PolarHBondContact O-N 3.07Å; L538-T542 PolarHBondContact O-OG1 2.78Å; K539-T542 PolarHBondContact O-N 3.07Å; T542-K545 PolarHBondContact O-N 3.38Å; T542-A546 WeakPolarHBondContact O-CB 3.09Å; T542-A546 PolarHBondContact O-N 2.78Å
543	R	55	Low	57.3	Low	207 Å²	207	124.7 Å²	124.7	78%	0.781	62%	0.621	S	S	*	*	H	α-helix	trans	-64.2	-40	173.2	-106.9	-177.5	176.5	173.3	-0.9	113	K539 A546 A547	K539-R543 WeakPolarHBondContact O-CB 3.49Å; K539-R543 PolarHBondContact O-N 3.48Å; R543-A546 PolarHBondContact O-N 3.03Å; R543-A547 WeakPolarHBondContact O-CB 3.13Å; R543-A547 PolarHBondContact O-N 2.78Å
544	R	50.7	Low	55	Low	193 Å²	193	134.5 Å²	134.5	73%	0.728	65%	0.654	S	S	*	*	H	α-helix	trans	-65.6	-39.6	174.2	-81.9	-176.9	177	174.1	-2.5	112.3	K540 R541 A547 S548	K540-R544 PolarHBondContact O-N 2.04Å; R541-R544 PolarHBondContact O-N 3.45Å; R544-A547 PolarHBondContact O-N 2.98Å; R544-S548 PolarHBondContact O-N 2.63Å; R544-S548 VanDerWaalsContact O-N 3.07Å; R544-S548 PolarHBondContact O-OG 2.77Å
545	K	49.8	Very low	53.1	Low	146 Å²	146	134.8 Å²	134.8	64%	0.635	67%	0.668	S	S	*	*	H	α-helix	trans	-66.9	-37	172.4	-78.8	-173.1	172.8	-171.1	0	112.8	R541 T542 S548 V549	R541-K545 PolarHBondContact O-N 2.9Å; T542-K545 PolarHBondContact O-N 3.38Å; K545-S548 PolarHBondContact O-OG 2.78Å; K545-V549 VanDerWaalsContact O-CG2 3.26Å; K545-V549 WeakPolarHBondContact O-CG2 3.28Å; K545-V549 PolarHBondContact O-N 2.87Å
546	A	51	Low	50.9	Low	54 Å²	54	143.1 Å²	143.1	45%	0.446	69%	0.692	S	S	.	*	H	α-helix	trans	-69.8	-37.2	175.4	0	0	0	0	0	112.3	T542 R543 V549 F550	T542-A546 WeakPolarHBondContact O-CB 3.09Å; T542-A546 PolarHBondContact O-N 2.78Å; R543-A546 PolarHBondContact O-N 3.03Å; A546-V549 PolarHBondContact O-N 3.04Å; A546-F550 PolarHBondContact O-N 3.16Å
547	A	49.9	Very low	49.2	Very low	64 Å²	64	141 Å²	141	53%	0.529	69%	0.693	S	S	.	*	H	α-helix	trans	-69.5	-30.8	175.2	0	0	0	0	0	113	R543 R544 V549	R543-A547 WeakPolarHBondContact O-CB 3.13Å; R543-A547 PolarHBondContact O-N 2.78Å; R544-A547 PolarHBondContact O-N 2.98Å; A547-V549 VanDerWaalsContact C-N 3.34Å
548	S	48.8	Very low	47.5	Very low	80 Å²	80	142.4 Å²	142.4	56%	0.559	70%	0.699	S	S	*	*	H	α-helix	trans	-78.6	-14.5	174.1	64.4	0	0	0	0	114.1	R544 K545	R544-S548 PolarHBondContact O-N 2.63Å; R544-S548 VanDerWaalsContact O-N 3.07Å; R544-S548 PolarHBondContact O-OG 2.77Å; K545-S548 PolarHBondContact O-OG 2.78Å
549	V	49.8	Very low	45.9	Very low	108 Å²	108	142.7 Å²	142.7	66%	0.655	71%	0.708	S	S	*	*	H	α-helix	trans	-91.1	-20.7	176.1	172.3	0	0	0	0	111.7	K545 A546 A547	K545-V549 VanDerWaalsContact O-CG2 3.26Å; K545-V549 WeakPolarHBondContact O-CG2 3.28Å; K545-V549 PolarHBondContact O-N 2.87Å; A546-V549 PolarHBondContact O-N 3.04Å; A547-V549 VanDerWaalsContact C-N 3.34Å
550	F	46.8	Very low	44.6	Very low	190 Å²	190	142.5 Å²	142.5	83%	0.833	71%	0.709	S	S	*	*	S	Bend	trans	-85.2	-0.2	177	-101.1	-84.4	0	0	0	115	A546	A546-F550 PolarHBondContact O-N 3.16Å
551	T	44.6	Very low	44	Very low	117 Å²	117	140.7 Å²	140.7	72%	0.718	71%	0.713	S	S	*	*			trans	-100.4	57.3	172.5	58.1	0	0	0	0	111.4
552	S	42.5	Very low	42.7	Very low	92 Å²	92	137.5 Å²	137.5	64%	0.643	72%	0.72	S	S	*	*	S	Bend	trans	-145.6	122.5	153.6	73.8	0	0	0	0	110.1
553	S	36.3	Very low	41.7	Very low	110 Å²	110	140.7 Å²	140.7	77%	0.769	73%	0.732	S	S	*	*	S	Bend	trans	89.9	81.6	153.7	-41.9	0	0	0	0	119
554	R	32	Very low	40.5	Very low	240 Å²	240	140.6 Å²	140.6	91%	0.906	74%	0.737	S	S	*	*				164.5	147.4	109	-94.5	-177.6	174.2	179.2	-1.5	112
555	P	40.7	Very low	39.5	Very low	123 Å²	123	135 Å²	135	80%	0.799	74%	0.74	S	S	*	*			trans	-83.5	130.9	-174.1	33	-30.4	0	0	0	110.8
556	Y	31	Very low	38.6	Very low	235 Å²	235	137 Å²	137	92%	0.922	75%	0.751	S	S	*	*			trans	-110.9	130.9	170.1	-146.6	-93.1	0	0	0	110.1
557	I	35.3	Very low	37.7	Very low	149 Å²	149	142 Å²	142	76%	0.764	77%	0.771	S	S	*	*			trans	-69.8	135.6	-171.1	-68.9	163.1	0	0	0	110.6
558	K	35.9	Very low	36.7	Very low	176 Å²	176	145 Å²	145	77%	0.765	78%	0.783	S	S	*	*			trans	-71.6	140.2	168.5	-99.5	-179.6	174	-178.6	0	110.7
559	P	32.5	Very low	35.8	Very low	123 Å²	123	151 Å²	151	80%	0.799	80%	0.799	S	S	*	*			trans	-111.8	137	145.1	16.5	2	0	0	0	111.1
560	H	32.8	Very low	34.7	Very low	157 Å²	157	156.4 Å²	156.4	73%	0.727	81%	0.809	S	S	*	*			trans	-98.8	174.8	170.9	-117.6	-52.1	0	0	0	109.7
561	P	45.6	Very low	33.9	Very low	111 Å²	111	154.3 Å²	154.3	72%	0.721	80%	0.802	S	S	*	*				-104.2	165.9	-128.3	39.1	-25.6	0	0	0	114.3
562	S	28.2	Very low	33.7	Very low	122 Å²	122	154 Å²	154	85%	0.853	80%	0.802	S	S	*	*			trans	-122.3	129.4	166.5	59.7	0	0	0	0	112.1
563	L	35.6	Very low	33.2	Very low	158 Å²	158	155.4 Å²	155.4	83%	0.827	81%	0.807	S	S	*	*			trans	-76.2	160	178.1	-104.3	105	0	0	0	113.8
564	K	30.9	Very low	33.1	Very low	204 Å²	204	162.2 Å²	162.2	89%	0.887	82%	0.816	S	S	*	*			trans	88.2	127.6	150.7	-83.7	176.8	176.4	179.7	0	120
565	G	28.8	Very low	33.4	Very low	76 Å²	76	159.8 Å²	159.8	78%	0.784	81%	0.814	S	S	*	*			trans	166	83.3	159.2	0	0	0	0	0	112.5
566	Q	32.4	Very low	33.7	Very low	187 Å²	187	158.6 Å²	158.6	87%	0.874	81%	0.807	S	S	*	*			trans	-55.8	140.6	165.6	-82	167.1	-53.3	0	0	110.7
567	N	30.5	Very low	34.6	Very low	161 Å²	161	153.5 Å²	153.5	86%	0.861	80%	0.803	S	S	*	*				-165.6	135.3	123.8	-95.1	-24	0	0	0	112.9
568	T	30.7	Very low	34.9	Very low	127 Å²	127	152.8 Å²	152.8	78%	0.779	81%	0.805	S	S	*	*			trans	-56.5	144.2	-180	44.9	0	0	0	0	116.6
569	K	29.4	Very low	34.8	Very low	206 Å²	206	150.3 Å²	150.3	90%	0.896	81%	0.809	S	S	*	*				-167.3	129.1	121.7	-123.1	174.4	179.9	177.5	0	114.1
570	Y	26.7	Very low	35.1	Very low	221 Å²	221	154.9 Å²	154.9	87%	0.867	83%	0.834	S	S	*	*			trans	-21.5	129.3	168	-92.4	-108.7	0	0	0	121
571	E	29.4	Very low	35.2	Very low	145 Å²	145	154.8 Å²	154.8	68%	0.678	84%	0.839	S	S	*	*				38.9	154.8	114.4	-141.6	58.6	-127.9	0	0	120.6
572	P	40.6	Very low	34.7	Very low	112 Å²	112	157.1 Å²	157.1	73%	0.727	85%	0.845	S	S	*	*			cis	-129.4	167.2	1.3	5.8	21.5	0	0	0	118.4
573	T	32.7	Very low	35	Very low	120 Å²	120	159 Å²	159	74%	0.736	85%	0.845	S	S	*	*			trans	-34.5	142.2	154.3	24	0	0	0	0	118.1
574	R	32.6	Very low	35	Very low	254 Å²	254	159.1 Å²	159.1	96%	0.958	85%	0.846	S	S	*	*			trans	-125.1	125.1	153.9	-94.2	-173.5	180	178.6	0.6	110.3
575	Q	39.7	Very low	35.3	Very low	188 Å²	188	156.3 Å²	156.3	88%	0.879	84%	0.843	S	S	*	*			trans	-109.4	174.7	169.8	-117.7	-170.8	0.9	0	0	109.2
576	P	45.7	Very low	35.7	Very low	99 Å²	99	161.6 Å²	161.6	64%	0.643	85%	0.847	S	S	*	*				-97.9	-177.6	-128.2	42.5	-34.6	0	0	0	113.6
577	P	50.4	Low	35.9	Very low	128 Å²	128	159.8 Å²	159.8	83%	0.831	85%	0.845	S	S	*	*			trans	-104.7	127.5	156.7	29.7	-16.9	0	0	0	112.5
578	T	42.1	Very low	36.4	Very low	133 Å²	133	159.7 Å²	159.7	82%	0.816	84%	0.844	S	S	*	*			trans	-81.2	163.6	163.4	32.2	0	0	0	0	112.3
579	C	33.9	Very low	36.8	Very low	124 Å²	124	162.4 Å²	162.4	84%	0.838	85%	0.85	S	S	*	*			trans	-42	147.1	178.5	-55.9	0	0	0	0	118.1
580	V	38.7	Very low	37.5	Very low	219 Å²	219	158.5 Å²	158.5	100%	1.327	85%	0.845	S	S	*	*			trans	-136	0	134.6	176.6	0	0	0	0	107.3

Retrieved 580 of 580 residues in 502 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).