A0A5K4FFD7_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFD7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 652 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.5	Very low	28	Very low	243 Å²	243	145.7 Å²	145.7	100%	1.197	83%	0.833	S	S	*	*				0	126.5	0	-97.8	179	165.3	0	0	108.4
2	K	31.7	Very low	28	Very low	195 Å²	195	144.9 Å²	144.9	85%	0.848	84%	0.837	S	S	*	*			trans	58.4	107.6	168.2	-64.6	-175.7	175.6	-177.4	0	117.2
3	Q	27.6	Very low	27.7	Very low	192 Å²	192	142 Å²	142	90%	0.897	83%	0.83	S	S	*	*				72.5	127.6	72.8	-86.3	-171.8	-22.2	0	0	115.3
4	G	28.5	Very low	27.4	Very low	77 Å²	77	139.3 Å²	139.3	79%	0.794	82%	0.823	S	S	*	*			trans	105.5	121.7	161.2	0	0	0	0	0	112.3
5	S	31.4	Very low	27.1	Very low	108 Å²	108	144.1 Å²	144.1	76%	0.755	82%	0.821	S	S	*	*			cis	-169.5	131.3	15.3	40.3	0	0	0	0	108.8
6	S	25.2	Very low	27	Very low	115 Å²	115	143.6 Å²	143.6	80%	0.804	82%	0.821	S	S	*	*			trans	-70.2	119.3	167.8	53.6	0	0	0	0	110.3
7	L	30.7	Very low	26.8	Very low	166 Å²	166	141.6 Å²	141.6	87%	0.869	80%	0.803	S	S	*	*			trans	-104.5	117.8	165.2	-101.5	146.4	0	0	0	108.4
8	L	28.8	Very low	26.6	Very low	142 Å²	142	142 Å²	142	74%	0.743	80%	0.803	S	S	*	*			trans	-63.6	128	-170.5	-72.8	146.1	0	0	0	112.2	H10	L8-H10 PolarHBondContact O-N 3.13Å
9	T	23.6	Very low	26.6	Very low	132 Å²	132	143.3 Å²	143.3	81%	0.81	80%	0.802	S	S	*	*			trans	-71.6	108.7	157.6	47.7	0	0	0	0	109.5
10	H	27.3	Very low	26.5	Very low	169 Å²	169	141.8 Å²	141.8	78%	0.782	80%	0.796	S	S	*	*			trans	-124.3	95.8	158	-84.8	-57.2	0	0	0	108.6	L8	L8-H10 PolarHBondContact O-N 3.13Å
11	G	22.5	Very low	26.6	Very low	64 Å²	64	143.6 Å²	143.6	66%	0.66	80%	0.798	S	S	*	*			trans	-71.2	146.6	162.9	0	0	0	0	0	110	S13	G11-S13 PolarHBondContact O-N 2.88Å; G11-S13 VanDerWaalsContact O-N 3.12Å
12	P	28.5	Very low	26.4	Very low	136 Å²	136	137.7 Å²	137.7	88%	0.883	78%	0.776	S	S	*	*			trans	-73.6	107	178.3	28.5	-29.7	0	0	0	109.4
13	S	24.1	Very low	26.2	Very low	107 Å²	107	131.4 Å²	131.4	75%	0.748	77%	0.766	S	S	*	*			trans	-68.1	138.5	163.5	-179.4	0	0	0	0	110	G11	G11-S13 PolarHBondContact O-N 2.88Å; G11-S13 VanDerWaalsContact O-N 3.12Å
14	S	23.3	Very low	26.2	Very low	104 Å²	104	131 Å²	131	73%	0.727	76%	0.762	S	S	*	*			trans	-29	124	164	45.6	0	0	0	0	116.3
15	R	23.2	Very low	26.5	Very low	211 Å²	211	131 Å²	131	80%	0.796	74%	0.743	S	S	*	*			trans	-148.6	86.2	145	-127.9	-176.2	-169.8	-163.7	9.6	108.9	E17	R15-E17 WeakPolarHBondContact CD-OE1 3.15Å; R15-E17 HydrophobicContact CG-CG 4.28Å; R15-E17 IonicContact CZ-OE1 3.24Å; R15-E17 VanDerWaalsContact CZ-OE1 3.24Å; R15-E17 IonicContact NE-OE1 3.43Å; R15-E17 PolarHBondContact NE-OE1 2.04Å; R15-E17 IonicContact NH1-OE1 2.73Å; R15-E17 PolarHBondContact NH1-OE1 3.14Å; R15-E17 PolarHBondContact O-N 2.72Å; R15-E17 VanDerWaalsContact O-N 3.07Å
16	V	24.3	Very low	26.6	Very low	136 Å²	136	129.2 Å²	129.2	82%	0.824	73%	0.73	S	S	*	*			trans	-75.2	83.6	161.7	179.6	0	0	0	0	105.5	N18	V16-N18 PolarHBondContact O-N 3.05Å
17	E	24.6	Very low	27.2	Very low	111 Å²	111	127.3 Å²	127.3	52%	0.519	71%	0.71	S	S	.	*			trans	-77.9	112.5	164.6	-81.4	177.5	-174.1	0	0	107.2	R15 Q19	R15-E17 WeakPolarHBondContact CD-OE1 3.15Å; R15-E17 HydrophobicContact CG-CG 4.28Å; R15-E17 IonicContact CZ-OE1 3.24Å; R15-E17 VanDerWaalsContact CZ-OE1 3.24Å; R15-E17 IonicContact NE-OE1 3.43Å; R15-E17 PolarHBondContact NE-OE1 2.04Å; R15-E17 IonicContact NH1-OE1 2.73Å; R15-E17 PolarHBondContact NH1-OE1 3.14Å; R15-E17 PolarHBondContact O-N 2.72Å; R15-E17 VanDerWaalsContact O-N 3.07Å; E17-Q19 PolarHBondContact O-N 3.24Å
18	N	23.3	Very low	27.4	Very low	148 Å²	148	123.9 Å²	123.9	79%	0.791	69%	0.692	S	S	*	*			trans	-55.2	88.6	161.3	-80.2	-21.3	0	0	0	108.5	V16 T20	V16-N18 PolarHBondContact O-N 3.05Å; N18-T20 PolarHBondContact O-N 3.02Å; N18-T20 VanDerWaalsContact O-N 3.12Å
19	Q	26.7	Very low	27.7	Very low	167 Å²	167	126.2 Å²	126.2	78%	0.78	70%	0.699	S	S	*	*			trans	-74	100.2	164.9	-75.1	-173.6	-9.4	0	0	107.3	E17	E17-Q19 PolarHBondContact O-N 3.24Å
20	T	24.8	Very low	28.2	Very low	112 Å²	112	124.7 Å²	124.7	69%	0.687	69%	0.694	S	S	*	*			trans	-50.5	141.2	166.3	34.1	0	0	0	0	110.6	N18 T22	N18-T20 PolarHBondContact O-N 3.02Å; N18-T20 VanDerWaalsContact O-N 3.12Å; T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 3.35Å
21	E	27.7	Very low	28.7	Very low	180 Å²	180	118.5 Å²	118.5	84%	0.841	67%	0.669	S	S	*	*	S	Bend	trans	-57.3	80.6	173.3	-70.4	175.1	137.1	0	0	111.7
22	T	26.7	Very low	29.1	Very low	120 Å²	120	121.6 Å²	121.6	74%	0.736	68%	0.678	S	S	*	*			trans	-123.8	65.6	168	55.8	0	0	0	0	108.8	T20	T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 3.35Å
23	G	28.1	Very low	29.4	Very low	62 Å²	62	118.6 Å²	118.6	64%	0.639	66%	0.66	S	S	*	*			trans	-100.2	23.9	168.1	0	0	0	0	0	113	L25	G23-L25 PolarHBondContact O-N 2.56Å
24	K	27	Very low	29.6	Very low	185 Å²	185	119.9 Å²	119.9	80%	0.804	66%	0.658	S	S	*	*			trans	-68.7	124.5	175.4	-82.6	-171.8	174.8	-176.8	0	110
25	L	34.4	Very low	30	Very low	75 Å²	75	122 Å²	122	39%	0.393	66%	0.661	S	S	.	*			trans	-61.3	134	170.6	-123.7	92.7	0	0	0	109.9	G23 I27 K596	G23-L25 PolarHBondContact O-N 2.56Å; L25-I27 HydrophobicContact CB-CD1 3.94Å; L25-I27 HydrophobicContact CB-CG1 3.82Å; L25-I27 HydrophobicContact CD2-CD1 3.55Å; L25-I27 HydrophobicContact CD2-CG1 3.74Å; L25-I27 HydrophobicContact CG-CD1 4.37Å; L25-I27 HydrophobicContact CG-CG1 4.32Å; L25-K596 VanDerWaalsContact CD1-NZ 3.3Å
26	C	33.8	Very low	30.8	Very low	72 Å²	72	114.3 Å²	114.3	49%	0.486	64%	0.64	S	S	.	*			trans	-84.9	112.6	165.8	173.2	0	0	0	0	108.4	C31	C26-C31 HydrophobicContact CB-CB 4.43Å; C26-C31 WeakPolarHBondContact CB-SG 2.95Å; C26-C31 PolarHBondContact O-SG 3.49Å; C26-C31 WeakPolarHBondContact SG-CB 3.42Å; C26-C31 CovalentContact SG-SG 2.04Å; C26-C31 PolarHBondContact SG-SG 2.73Å
27	I	37.5	Very low	32	Very low	74 Å²	74	114.1 Å²	114.1	38%	0.379	64%	0.635	S	S	.	*			trans	-131.4	15.1	-178.9	-32	-176.5	0	0	0	111.1	L25 L585 M589	L25-I27 HydrophobicContact CB-CD1 3.94Å; L25-I27 HydrophobicContact CB-CG1 3.82Å; L25-I27 HydrophobicContact CD2-CD1 3.55Å; L25-I27 HydrophobicContact CD2-CG1 3.74Å; L25-I27 HydrophobicContact CG-CD1 4.37Å; L25-I27 HydrophobicContact CG-CG1 4.32Å; I27-L585 HydrophobicContact CG2-CD1 3.72Å; I27-M589 HydrophobicContact CD1-CG 3.93Å; I27-M589 HydrophobicContact CD1-SD 3.84Å
28	D	34.8	Very low	33.4	Very low	94 Å²	94	114.1 Å²	114.1	50%	0.503	64%	0.638	S	S	.	*	S	Bend	trans	-86.1	167.4	173.1	63.5	29	0	0	0	111.3	S30 C31	D28-S30 PolarHBondContact O-N 3.43Å; D28-S30 WeakPolarHBondContact OD1-CA 3.45Å; D28-S30 WeakPolarHBondContact OD1-CB 3.33Å; D28-S30 PolarHBondContact OD1-N 2.82Å; D28-S30 PolarHBondContact OD1-OG 2.83Å; D28-S30 PolarHBondContact OD2-OG 3.05Å; D28-C31 WeakPolarHBondContact O-CB 3.39Å; D28-C31 PolarHBondContact O-N 2.95Å; D28-C31 VanDerWaalsContact O-N 3.14Å; D28-C31 PolarHBondContact OD1-N 3.32Å
29	E	35.8	Very low	35	Very low	192 Å²	192	108.4 Å²	108.4	90%	0.897	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-10.9	177.7	-64.8	-177	158.4	0	0	113.6
30	S	33.3	Very low	36.7	Very low	100 Å²	100	104.1 Å²	104.1	70%	0.699	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-13.9	178.3	81.7	0	0	0	0	113.2	D28	D28-S30 PolarHBondContact O-N 3.43Å; D28-S30 WeakPolarHBondContact OD1-CA 3.45Å; D28-S30 WeakPolarHBondContact OD1-CB 3.33Å; D28-S30 PolarHBondContact OD1-N 2.82Å; D28-S30 PolarHBondContact OD1-OG 2.83Å; D28-S30 PolarHBondContact OD2-OG 3.05Å
31	C	39	Very low	38.9	Very low	39 Å²	39	103.1 Å²	103.1	26%	0.264	58%	0.582	S	S	.	*	S	Bend	trans	-70	142.4	164.4	-109.1	0	0	0	0	109.9	C26 D28 S33	C26-C31 HydrophobicContact CB-CB 4.43Å; C26-C31 WeakPolarHBondContact CB-SG 2.95Å; C26-C31 PolarHBondContact O-SG 3.49Å; C26-C31 WeakPolarHBondContact SG-CB 3.42Å; C26-C31 CovalentContact SG-SG 2.04Å; C26-C31 PolarHBondContact SG-SG 2.73Å; D28-C31 WeakPolarHBondContact O-CB 3.39Å; D28-C31 PolarHBondContact O-N 2.95Å; D28-C31 VanDerWaalsContact O-N 3.14Å; D28-C31 PolarHBondContact OD1-N 3.32Å; C31-S33 VanDerWaalsContact C-N 3.34Å; C31-S33 PolarHBondContact O-N 3.12Å
32	P	30.9	Very low	41.6	Very low	129 Å²	129	98.3 Å²	98.3	84%	0.838	56%	0.561	S	S	*	*			trans	-62	97.7	-177.5	22.9	-30.3	0	0	0	110.1	N34	P32-N34 PolarHBondContact O-N 2.75Å; P32-N34 VanDerWaalsContact O-N 3.13Å
33	S	33.4	Very low	44.5	Very low	72 Å²	72	93.2 Å²	93.2	50%	0.503	53%	0.529	S	S	.	.			trans	-74.2	96.8	172.5	46.5	0	0	0	0	107.2	C31 N35	C31-S33 VanDerWaalsContact C-N 3.34Å; C31-S33 PolarHBondContact O-N 3.12Å; S33-N35 PolarHBondContact O-N 3.07Å
34	N	29.3	Very low	47.6	Very low	134 Å²	134	90.7 Å²	90.7	72%	0.717	50%	0.502	S	S	*	.			trans	-71.6	67.5	149.3	-82.9	-4.4	0	0	0	107.8	P32 S36 S39	P32-N34 PolarHBondContact O-N 2.75Å; P32-N34 VanDerWaalsContact O-N 3.13Å; N34-S36 PolarHBondContact O-N 2.82Å; N34-S39 PolarHBondContact O-OG 3.44Å
35	N	31.5	Very low	50.6	Low	148 Å²	148	85.9 Å²	85.9	79%	0.791	49%	0.485	S	S	*	.			trans	-73.7	54.3	160.8	-86.3	-5.4	0	0	0	108.7	S33	S33-N35 PolarHBondContact O-N 3.07Å
36	S	39.9	Very low	53.2	Low	51 Å²	51	85.1 Å²	85.1	36%	0.357	48%	0.481	S	S	.	.	S	Bend	trans	-92.5	143.5	166	58.1	0	0	0	0	108	N34 N38 S39	N34-S36 PolarHBondContact O-N 2.82Å; S36-N38 PolarHBondContact O-N 3.22Å; S36-S39 PolarHBondContact O-N 3.12Å; S36-S39 PolarHBondContact O-OG 3.29Å; S36-S39 VanDerWaalsContact O-OG 3.05Å
37	D	48.9	Very low	55.9	Low	132 Å²	132	81.7 Å²	81.7	71%	0.706	46%	0.458	S	S	*	.	H	α-helix	trans	-43.4	-27.4	174.3	-67.9	-37.7	0	0	0	114.3	S39 I40 N41	D37-S39 VanDerWaalsContact C-N 3.29Å; D37-S39 PolarHBondContact O-N 3.04Å; D37-I40 PolarHBondContact O-N 3.13Å; D37-N41 PolarHBondContact O-N 2.86Å
38	N	54.3	Low	58.2	Low	110 Å²	110	80.3 Å²	80.3	59%	0.588	45%	0.45	S	S	*	.	H	α-helix	trans	-57	-32.9	173.1	-70.3	-17.5	0	0	0	114.6	S36 I42	S36-N38 PolarHBondContact O-N 3.22Å; N38-I42 WeakPolarHBondContact O-CD1 3.47Å; N38-I42 WeakPolarHBondContact O-CG1 3.28Å; N38-I42 PolarHBondContact O-N 3.42Å; N38-I42 VanDerWaalsContact O-N 3.13Å
39	S	57.6	Low	60.6	Low	28 Å²	28	81.4 Å²	81.4	20%	0.196	45%	0.45	C	S	.	.	H	α-helix	trans	-75.3	-37.5	-177.6	63.9	0	0	0	0	112.3	N34 S36 D37 I42 I43	N34-S39 PolarHBondContact O-OG 3.44Å; S36-S39 PolarHBondContact O-N 3.12Å; S36-S39 PolarHBondContact O-OG 3.29Å; S36-S39 VanDerWaalsContact O-OG 3.05Å; D37-S39 VanDerWaalsContact C-N 3.29Å; D37-S39 PolarHBondContact O-N 3.04Å; S39-I42 PolarHBondContact O-N 3.49Å; S39-I43 VanDerWaalsContact O-CG1 3.28Å; S39-I43 WeakPolarHBondContact O-CG1 3.33Å; S39-I43 PolarHBondContact O-N 2.97Å
40	I	61.1	Low	62.8	Low	78 Å²	78	75.5 Å²	75.5	40%	0.4	42%	0.42	S	S	.	.	H	α-helix	trans	-64.9	-46	174.6	-63.4	175.5	0	0	0	109.8	D37 I42 I43 C44	D37-I40 PolarHBondContact O-N 3.13Å; I40-I42 VanDerWaalsContact C-N 3.33Å; I40-I42 PolarHBondContact O-N 3.37Å; I40-I43 PolarHBondContact O-N 2.92Å; I40-C44 PolarHBondContact O-N 3.46Å
41	N	72.9	Confident	65.1	Low	91 Å²	91	71 Å²	71	49%	0.487	39%	0.389	S	S	.	.	H	α-helix	trans	-57.1	-46.5	176.2	-73.5	-17.7	0	0	0	111.4	D37 I43 C44 D45	D37-N41 PolarHBondContact O-N 2.86Å; N41-I43 PolarHBondContact O-N 2.97Å; N41-C44 PolarHBondContact O-N 3.07Å; N41-D45 VanDerWaalsContact O-CB 3.24Å; N41-D45 WeakPolarHBondContact O-CB 3.18Å; N41-D45 PolarHBondContact O-N 3.44Å
42	I	82.8	Confident	66.9	Low	79 Å²	79	70.5 Å²	70.5	41%	0.405	39%	0.385	S	S	.	.	H	α-helix	trans	-63.4	-40.7	179.2	-66.5	163.7	0	0	0	112	N38 S39 I40 N46	N38-I42 WeakPolarHBondContact O-CD1 3.47Å; N38-I42 WeakPolarHBondContact O-CG1 3.28Å; N38-I42 PolarHBondContact O-N 3.42Å; N38-I42 VanDerWaalsContact O-N 3.13Å; S39-I42 PolarHBondContact O-N 3.49Å; I40-I42 VanDerWaalsContact C-N 3.33Å; I40-I42 PolarHBondContact O-N 3.37Å; I42-N46 CarbonylContact O-C 3.25Å; I42-N46 VanDerWaalsContact O-C 3.25Å; I42-N46 PolarHBondContact O-N 2.9Å; I42-N46 VanDerWaalsContact O-O 3.14Å
43	I	89.2	Confident	68.7	Low	13 Å²	13	68.6 Å²	68.6	7%	0.067	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-44	-179.7	-76.4	168.8	0	0	0	111.4	S39 I40 N41 F47 Y50 F632 Y636	S39-I43 VanDerWaalsContact O-CG1 3.28Å; S39-I43 WeakPolarHBondContact O-CG1 3.33Å; S39-I43 PolarHBondContact O-N 2.97Å; I40-I43 PolarHBondContact O-N 2.92Å; N41-I43 PolarHBondContact O-N 2.97Å; I43-F47 HydrophobicContact CB-CD2 4.45Å; I43-F47 HydrophobicContact CG1-CD2 4.36Å; I43-F47 HydrophobicContact CG2-CD2 3.89Å; I43-F47 HydrophobicContact CG2-CE2 4.35Å; I43-F47 PolarHBondContact O-N 3.48Å; I43-Y50 HydrophobicContact CD1-CD1 4.28Å; I43-Y50 HydrophobicContact CD1-CD2 4.34Å; I43-Y50 HydrophobicContact CD1-CE1 4.03Å; I43-Y50 HydrophobicContact CD1-CE2 4.11Å; I43-Y50 HydrophobicContact CD1-CG 4.43Å; I43-Y50 HydrophobicContact CG1-CD1 3.83Å; I43-Y50 HydrophobicContact CG1-CD2 3.89Å; I43-Y50 HydrophobicContact CG1-CE1 4.11Å; I43-Y50 HydrophobicContact CG1-CE2 4.18Å; I43-Y50 HydrophobicContact CG1-CG 3.71Å; I43-F632 HydrophobicContact CG2-CZ 4.43Å; I43-Y636 HydrophobicContact CD1-CD1 3.99Å; I43-Y636 HydrophobicContact CD1-CE1 4.21Å; I43-Y636 HydrophobicContact CG2-CD1 3.6Å; I43-Y636 HydrophobicContact CG2-CE1 4.38Å; I43-Y636 HydrophobicContact CG2-CG 3.8Å
44	C	92.6	Very high	69.9	Low	9 Å²	9	70.7 Å²	70.7	6%	0.061	37%	0.368	C	S	.	.	H	α-helix	trans	-84.8	-13.7	-176.3	-60.8	0	0	0	0	113.8	I40 N41 C638 M644	I40-C44 PolarHBondContact O-N 3.46Å; N41-C44 PolarHBondContact O-N 3.07Å; C44-C638 VanDerWaalsContact CA-SG 3.52Å; C44-C638 HydrophobicContact CB-CB 3.76Å; C44-C638 WeakPolarHBondContact CB-SG 2.92Å; C44-C638 WeakPolarHBondContact SG-CA 3.37Å; C44-C638 WeakPolarHBondContact SG-CB 2.95Å; C44-C638 CovalentContact SG-SG 2.05Å; C44-C638 PolarHBondContact SG-SG 2.91Å; C44-M644 VanDerWaalsContact O-CB 3.26Å; C44-M644 WeakPolarHBondContact O-CB 3.46Å; C44-M644 WeakPolarHBondContact O-CG 3.32Å; C44-M644 PolarHBondContact O-N 2.93Å
45	D	90.2	Very high	71	Confident	83 Å²	83	65 Å²	65	44%	0.444	34%	0.338	S	S	.	.	H	α-helix	trans	-89.9	-41.6	170.1	-69.6	-20.6	0	0	0	112.2	N41	N41-D45 VanDerWaalsContact O-CB 3.24Å; N41-D45 WeakPolarHBondContact O-CB 3.18Å; N41-D45 PolarHBondContact O-N 3.44Å
46	N	88.9	Confident	71.9	Confident	59 Å²	59	61.6 Å²	61.6	32%	0.316	33%	0.326	S	S	.	.			trans	-159.2	86.9	-175.8	-168.1	-28.6	0	0	0	112	I42 E48 K49 Y50 N623	I42-N46 CarbonylContact O-C 3.25Å; I42-N46 VanDerWaalsContact O-C 3.25Å; I42-N46 PolarHBondContact O-N 2.9Å; I42-N46 VanDerWaalsContact O-O 3.14Å; N46-E48 VanDerWaalsContact C-N 3.31Å; N46-E48 PolarHBondContact O-N 2.8Å; N46-E48 PolarHBondContact OD1-N 2.85Å; N46-K49 HydrophobicContact CB-CB 4.08Å; N46-K49 PolarHBondContact O-N 3.4Å; N46-K49 WeakPolarHBondContact OD1-CB 3.43Å; N46-K49 PolarHBondContact OD1-N 3.05Å; N46-Y50 PolarHBondContact O-N 3.42Å; N46-N623 PolarHBondContact OD1-ND2 3.42Å
47	F	91.1	Very high	72	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-66.2	-33.1	-180	-171.4	-110.2	0	0	0	113.5	I43 Y50 S51 A595 V622 N623 L626 F632 Y636 M644	I43-F47 HydrophobicContact CB-CD2 4.45Å; I43-F47 HydrophobicContact CG1-CD2 4.36Å; I43-F47 HydrophobicContact CG2-CD2 3.89Å; I43-F47 HydrophobicContact CG2-CE2 4.35Å; I43-F47 PolarHBondContact O-N 3.48Å; F47-Y50 HydrophobicContact CD2-CD1 4.07Å; F47-Y50 AromaticContact CE2-CD1 3.83Å; F47-Y50 HydrophobicContact CE2-CD1 3.83Å; F47-Y50 HydrophobicContact CE2-CE1 4.25Å; F47-Y50 WeakPolarHBondContact O-CB 3.03Å; F47-Y50 PolarHBondContact O-N 3.38Å; F47-S51 WeakPolarHBondContact CE1-OG 3.29Å; F47-S51 VanDerWaalsContact CZ-OG 3.29Å; F47-S51 WeakPolarHBondContact CZ-OG 3.27Å; F47-S51 WeakPolarHBondContact O-CB 3.44Å; F47-S51 PolarHBondContact O-N 3.4Å; F47-S51 PolarHBondContact O-OG 3.06Å; F47-S51 VanDerWaalsContact O-OG 3.12Å; F47-A595 HydrophobicContact CD1-CB 4.08Å; F47-A595 HydrophobicContact CE1-CB 3.6Å; F47-V622 HydrophobicContact CD1-CG1 3.87Å; F47-N623 PolarHBondContact N-OD1 3.34Å; F47-L626 HydrophobicContact CD1-CD1 3.3Å; F47-L626 HydrophobicContact CE1-CD1 3.68Å; F47-L626 HydrophobicContact CG-CD1 4.23Å; F47-F632 HydrophobicContact CB-CE2 4.37Å; F47-F632 HydrophobicContact CB-CZ 3.9Å; F47-F632 AromaticContact CD1-CE2 3.89Å; F47-F632 HydrophobicContact CD1-CE2 3.89Å; F47-F632 HydrophobicContact CD1-CZ 4.28Å; F47-F632 AromaticContact CD2-CE2 3.77Å; F47-F632 HydrophobicContact CD2-CE2 3.77Å; F47-F632 AromaticContact CD2-CZ 3.74Å; F47-F632 HydrophobicContact CD2-CZ 3.74Å; F47-F632 AromaticContact CE1-CE2 3.99Å; F47-F632 HydrophobicContact CE1-CE2 3.99Å; F47-F632 AromaticContact CE2-CE2 3.9Å; F47-F632 HydrophobicContact CE2-CE2 3.9Å; F47-F632 HydrophobicContact CE2-CZ 4.29Å; F47-F632 AromaticContact CG-CE2 3.73Å; F47-F632 HydrophobicContact CG-CE2 3.73Å; F47-F632 AromaticContact CG-CZ 3.71Å; F47-F632 HydrophobicContact CG-CZ 3.71Å; F47-F632 AromaticContact CZ-CE2 4Å; F47-F632 HydrophobicContact CZ-CE2 4Å; F47-Y636 HydrophobicContact CE2-CD1 4.43Å; F47-Y636 AromaticContact CE2-CE1 3.84Å; F47-Y636 HydrophobicContact CE2-CE1 3.84Å; F47-Y636 AromaticContact CE2-CE2 3.98Å; F47-Y636 HydrophobicContact CE2-CE2 3.98Å; F47-Y636 AromaticContact CE2-CZ 3.58Å; F47-Y636 HydrophobicContact CZ-CE1 4.46Å; F47-Y636 HydrophobicContact CZ-CE2 4.05Å; F47-Y636 AromaticContact CZ-CZ 3.78Å; F47-M644 HydrophobicContact CB-CE 3.73Å; F47-M644 HydrophobicContact CB-SD 4.43Å
48	E	85.7	Confident	71.9	Confident	45 Å²	45	64.3 Å²	64.3	21%	0.21	33%	0.331	C	S	.	.	H	α-helix	trans	-59.6	-47.6	175.6	-173.4	176.7	168.5	0	0	111.6	N46 Y50 S51 C52 I621 V622 N623	N46-E48 VanDerWaalsContact C-N 3.31Å; N46-E48 PolarHBondContact O-N 2.8Å; N46-E48 PolarHBondContact OD1-N 2.85Å; E48-Y50 VanDerWaalsContact C-N 3.29Å; E48-Y50 PolarHBondContact O-N 3.25Å; E48-S51 PolarHBondContact O-N 3.38Å; E48-C52 HydrophobicContact CG-CB 4.49Å; E48-C52 WeakPolarHBondContact CG-SG 3.12Å; E48-C52 WeakPolarHBondContact O-CA 3.24Å; E48-C52 WeakPolarHBondContact O-CB 3.08Å; E48-C52 PolarHBondContact O-N 2.95Å; E48-C52 PolarHBondContact O-SG 3.4Å; E48-C52 VanDerWaalsContact O-SG 3.38Å; E48-I621 VanDerWaalsContact OE2-CB 3.31Å; E48-I621 WeakPolarHBondContact OE2-CB 3.45Å; E48-I621 WeakPolarHBondContact OE2-CD1 3.43Å; E48-I621 WeakPolarHBondContact OE2-CG1 3.23Å; E48-V622 HydrophobicContact CB-CB 3.96Å; E48-V622 HydrophobicContact CB-CG1 4.34Å; E48-V622 HydrophobicContact CG-CB 4.01Å; E48-V622 HydrophobicContact CG-CG2 4.31Å; E48-N623 WeakPolarHBondContact CB-ND2 3.36Å; E48-N623 WeakPolarHBondContact CB-OD1 3.17Å; E48-N623 PolarHBondContact N-OD1 3.42Å
49	K	83.5	Confident	71.4	Confident	118 Å²	118	63.2 Å²	63.2	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-57.7	-45.7	174.8	-174	179.2	-178.9	179.8	0	110.7	N46 S51 D53	N46-K49 HydrophobicContact CB-CB 4.08Å; N46-K49 PolarHBondContact O-N 3.4Å; N46-K49 WeakPolarHBondContact OD1-CB 3.43Å; N46-K49 PolarHBondContact OD1-N 3.05Å; K49-S51 PolarHBondContact O-N 3.2Å; K49-D53 WeakPolarHBondContact CG-OD2 3.39Å; K49-D53 WeakPolarHBondContact O-CB 3.38Å; K49-D53 PolarHBondContact O-N 3.14Å; K49-D53 VanDerWaalsContact O-N 3.14Å
50	Y	82.8	Confident	70.8	Confident	68 Å²	68	66.1 Å²	66.1	27%	0.267	34%	0.344	S	S	.	.	H	α-helix	trans	-60.2	-41.9	177	174.9	-100.1	0	0	0	113.4	I43 N46 F47 E48 K54	I43-Y50 HydrophobicContact CD1-CD1 4.28Å; I43-Y50 HydrophobicContact CD1-CD2 4.34Å; I43-Y50 HydrophobicContact CD1-CE1 4.03Å; I43-Y50 HydrophobicContact CD1-CE2 4.11Å; I43-Y50 HydrophobicContact CD1-CG 4.43Å; I43-Y50 HydrophobicContact CG1-CD1 3.83Å; I43-Y50 HydrophobicContact CG1-CD2 3.89Å; I43-Y50 HydrophobicContact CG1-CE1 4.11Å; I43-Y50 HydrophobicContact CG1-CE2 4.18Å; I43-Y50 HydrophobicContact CG1-CG 3.71Å; N46-Y50 PolarHBondContact O-N 3.42Å; F47-Y50 HydrophobicContact CD2-CD1 4.07Å; F47-Y50 AromaticContact CE2-CD1 3.83Å; F47-Y50 HydrophobicContact CE2-CD1 3.83Å; F47-Y50 HydrophobicContact CE2-CE1 4.25Å; F47-Y50 WeakPolarHBondContact O-CB 3.03Å; F47-Y50 PolarHBondContact O-N 3.38Å; E48-Y50 VanDerWaalsContact C-N 3.29Å; E48-Y50 PolarHBondContact O-N 3.25Å; Y50-K54 VanDerWaalsContact CZ-NZ 3.31Å; Y50-K54 WeakPolarHBondContact O-CG 3.18Å; Y50-K54 PolarHBondContact OH-NZ 3.31Å
51	S	81.7	Confident	70	Confident	6 Å²	6	64.1 Å²	64.1	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-86.5	-43.7	-173.4	-63.1	0	0	0	0	113.2	F47 E48 K49	F47-S51 WeakPolarHBondContact CE1-OG 3.29Å; F47-S51 VanDerWaalsContact CZ-OG 3.29Å; F47-S51 WeakPolarHBondContact CZ-OG 3.27Å; F47-S51 WeakPolarHBondContact O-CB 3.44Å; F47-S51 PolarHBondContact O-N 3.4Å; F47-S51 PolarHBondContact O-OG 3.06Å; F47-S51 VanDerWaalsContact O-OG 3.12Å; E48-S51 PolarHBondContact O-N 3.38Å; K49-S51 PolarHBondContact O-N 3.2Å
52	C	76.3	Confident	68.4	Low	28 Å²	28	64.3 Å²	64.3	19%	0.189	33%	0.333	C	S	.	.	H	α-helix	trans	-76.3	-37.5	-178.1	-58.9	0	0	0	0	112.5	E48 K54 L55 S56 C599	E48-C52 HydrophobicContact CG-CB 4.49Å; E48-C52 WeakPolarHBondContact CG-SG 3.12Å; E48-C52 WeakPolarHBondContact O-CA 3.24Å; E48-C52 WeakPolarHBondContact O-CB 3.08Å; E48-C52 PolarHBondContact O-N 2.95Å; E48-C52 PolarHBondContact O-SG 3.4Å; E48-C52 VanDerWaalsContact O-SG 3.38Å; C52-K54 VanDerWaalsContact C-N 3.27Å; C52-K54 PolarHBondContact O-N 3.3Å; C52-L55 WeakPolarHBondContact O-CB 3.48Å; C52-L55 PolarHBondContact O-N 2.05Å; C52-S56 PolarHBondContact O-N 2.97Å; C52-C599 WeakPolarHBondContact CA-SG 3.25Å; C52-C599 HydrophobicContact CB-CB 3.8Å; C52-C599 WeakPolarHBondContact CB-SG 3.43Å; C52-C599 WeakPolarHBondContact SG-CB 3.49Å; C52-C599 CovalentContact SG-SG 2.02Å; C52-C599 PolarHBondContact SG-SG 3.36Å
53	D	68.1	Low	66.5	Low	89 Å²	89	69.6 Å²	69.6	48%	0.476	35%	0.348	S	S	.	.	H	α-helix	trans	-63.9	-36.3	179.2	-71.2	-10.9	0	0	0	110.8	K49 L55 S56	K49-D53 WeakPolarHBondContact CG-OD2 3.39Å; K49-D53 WeakPolarHBondContact O-CB 3.38Å; K49-D53 PolarHBondContact O-N 3.14Å; K49-D53 VanDerWaalsContact O-N 3.14Å; D53-L55 VanDerWaalsContact C-N 3.26Å; D53-L55 PolarHBondContact O-N 3.42Å; D53-S56 WeakPolarHBondContact O-CB 3.29Å; D53-S56 PolarHBondContact O-N 2.64Å; D53-S56 PolarHBondContact O-OG 3.3Å
54	K	58.6	Low	64.4	Low	116 Å²	116	71.2 Å²	71.2	50%	0.504	36%	0.36	S	S	.	.	H	α-helix	trans	-64.6	-27.5	173.7	-75.3	-175.6	176.7	-174.9	0	113.1	Y50 C52	Y50-K54 VanDerWaalsContact CZ-NZ 3.31Å; Y50-K54 WeakPolarHBondContact O-CG 3.18Å; Y50-K54 PolarHBondContact OH-NZ 3.31Å; C52-K54 VanDerWaalsContact C-N 3.27Å; C52-K54 PolarHBondContact O-N 3.3Å
55	L	52.7	Low	62.5	Low	15 Å²	15	72 Å²	72	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-76.1	-30.9	177.3	-71.6	158.5	0	0	0	112.8	C52 D53 Q57 N58 Y61 N62 K596 C599	C52-L55 WeakPolarHBondContact O-CB 3.48Å; C52-L55 PolarHBondContact O-N 2.05Å; D53-L55 VanDerWaalsContact C-N 3.26Å; D53-L55 PolarHBondContact O-N 3.42Å; L55-Q57 PolarHBondContact O-N 3.26Å; L55-N58 PolarHBondContact O-N 3.36Å; L55-Y61 HydrophobicContact CD2-CD1 3.95Å; L55-Y61 HydrophobicContact CD2-CD2 3.54Å; L55-Y61 HydrophobicContact CD2-CE2 4.13Å; L55-Y61 HydrophobicContact CD2-CG 3.42Å; L55-Y61 VanDerWaalsContact CD2-CG 3.42Å; L55-N62 PolarHBondContact O-OD1 3.34Å; L55-K596 HydrophobicContact CD1-CB 3.9Å; L55-K596 HydrophobicContact CD1-CG 3.83Å; L55-K596 HydrophobicContact CD2-CB 4.2Å; L55-K596 HydrophobicContact CD2-CD 4.4Å; L55-K596 HydrophobicContact CD2-CG 3.92Å; L55-K596 HydrophobicContact CG-CG 4.16Å; L55-C599 HydrophobicContact CD1-CB 3.35Å
56	S	50.1	Low	61.1	Low	76 Å²	76	70.1 Å²	70.1	53%	0.531	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-19.8	174.7	75.8	0	0	0	0	112.8	C52 D53 N62	C52-S56 PolarHBondContact O-N 2.97Å; D53-S56 WeakPolarHBondContact O-CB 3.29Å; D53-S56 PolarHBondContact O-N 2.64Å; D53-S56 PolarHBondContact O-OG 3.3Å; S56-N62 PolarHBondContact O-ND2 2.81Å
57	Q	43.8	Very low	60	Low	170 Å²	170	68.1 Å²	68.1	79%	0.794	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-15.5	176.3	-60.5	-176.2	-8.9	0	0	114	L55	L55-Q57 PolarHBondContact O-N 3.26Å
58	N	47	Very low	59.3	Low	70 Å²	70	70.3 Å²	70.3	37%	0.374	36%	0.356	S	S	.	.			trans	-104.5	110.1	-169.8	-147.1	-10.9	0	0	0	111.6	L55 L60 Y61 N62	L55-N58 PolarHBondContact O-N 3.36Å; N58-L60 PolarHBondContact O-N 3.02Å; N58-L60 VanDerWaalsContact O-N 3.12Å; N58-Y61 HydrophobicContact CB-CD2 4.38Å; N58-Y61 PolarHBondContact O-N 3.34Å; N58-Y61 VanDerWaalsContact O-N 3.16Å; N58-N62 PolarHBondContact O-N 3.07Å
59	S	43.7	Very low	58.8	Low	86 Å²	86	71.9 Å²	71.9	60%	0.601	37%	0.366	S	S	*	.	H	α-helix	trans	-60.5	-27.2	-171.8	61.5	0	0	0	0	114.4	R63	S59-R63 PolarHBondContact O-N 2.89Å
60	L	44.3	Very low	58.5	Low	89 Å²	89	67.5 Å²	67.5	47%	0.466	35%	0.348	S	S	.	.	H	α-helix	trans	-71.8	-32.4	-178.7	-124.9	141.1	0	0	0	112.5	N58 P485	N58-L60 PolarHBondContact O-N 3.02Å; N58-L60 VanDerWaalsContact O-N 3.12Å; L60-P485 HydrophobicContact CD2-CB 4.18Å
61	Y	44.3	Very low	58.5	Low	36 Å²	36	64.9 Å²	64.9	14%	0.141	34%	0.338	C	S	.	.	H	α-helix	trans	-92.2	-26.4	173.6	-69.3	-82.7	0	0	0	112.3	L55 N58 R63 P485	L55-Y61 HydrophobicContact CD2-CD1 3.95Å; L55-Y61 HydrophobicContact CD2-CD2 3.54Å; L55-Y61 HydrophobicContact CD2-CE2 4.13Å; L55-Y61 HydrophobicContact CD2-CG 3.42Å; L55-Y61 VanDerWaalsContact CD2-CG 3.42Å; N58-Y61 HydrophobicContact CB-CD2 4.38Å; N58-Y61 PolarHBondContact O-N 3.34Å; N58-Y61 VanDerWaalsContact O-N 3.16Å; Y61-R63 VanDerWaalsContact C-N 3.3Å; Y61-P485 HydrophobicContact CD1-CB 4.5Å; Y61-P485 HydrophobicContact CE1-CB 4.16Å
62	N	40.1	Very low	58.7	Low	96 Å²	96	66.4 Å²	66.4	51%	0.513	35%	0.345	S	S	.	.	H	α-helix	trans	-68.6	-27.1	169.2	-79	-18.1	0	0	0	112.8	L55 S56 N58 S64	L55-N62 PolarHBondContact O-OD1 3.34Å; S56-N62 PolarHBondContact O-ND2 2.81Å; N58-N62 PolarHBondContact O-N 3.07Å; N62-S64 PolarHBondContact O-N 3.32Å
63	R	42.7	Very low	59.1	Low	190 Å²	190	71.8 Å²	71.8	72%	0.717	37%	0.365	S	S	*	.	S	Bend	trans	-68.7	86.9	160.6	-82.1	-173.4	-177.5	175.7	3.9	106.5	S59 Y61 F65	S59-R63 PolarHBondContact O-N 2.89Å; Y61-R63 VanDerWaalsContact C-N 3.3Å; R63-F65 VanDerWaalsContact C-N 3.34Å; R63-F65 PolarHBondContact O-N 3.36Å
64	S	43.3	Very low	60.1	Low	46 Å²	46	67.7 Å²	67.7	32%	0.322	34%	0.343	S	S	.	.			trans	-42.3	105	162.2	171.9	0	0	0	0	106.9	N62 N66 R612	N62-S64 PolarHBondContact O-N 3.32Å; S64-N66 PolarHBondContact O-N 3.04Å; S64-R612 PolarHBondContact OG-NH1 3.11Å
65	F	53.1	Low	61.6	Low	25 Å²	25	62.6 Å²	62.6	11%	0.11	32%	0.322	C	S	.	.			trans	-69.9	84.5	169.9	-168.7	-77.3	0	0	0	105.3	R63 I70 Y356 W480 P484 F486 R612	R63-F65 VanDerWaalsContact C-N 3.34Å; R63-F65 PolarHBondContact O-N 3.36Å; F65-I70 HydrophobicContact CD1-CD1 3.88Å; F65-I70 HydrophobicContact CD2-CD1 4.48Å; F65-I70 HydrophobicContact CE1-CD1 3.24Å; F65-I70 HydrophobicContact CE2-CD1 3.93Å; F65-I70 HydrophobicContact CG-CD1 4.49Å; F65-I70 HydrophobicContact CZ-CD1 3.3Å; F65-Y356 HydrophobicContact CE2-CD2 4.35Å; F65-Y356 AromaticContact CE2-CE2 3.91Å; F65-Y356 HydrophobicContact CE2-CE2 3.91Å; F65-Y356 AromaticContact CE2-CZ 3.99Å; F65-Y356 AromaticContact CZ-CD2 3.86Å; F65-Y356 HydrophobicContact CZ-CD2 3.86Å; F65-Y356 AromaticContact CZ-CE2 3.89Å; F65-Y356 HydrophobicContact CZ-CE2 3.89Å; F65-Y356 HydrophobicContact CZ-CG 4.27Å; F65-W480 HydrophobicContact CD1-CE3 4.18Å; F65-W480 HydrophobicContact CD1-CZ3 4.49Å; F65-W480 HydrophobicContact CE1-CB 4.32Å; F65-W480 AromaticContact CE1-CE3 3.77Å; F65-W480 HydrophobicContact CE1-CE3 3.77Å; F65-W480 WeakPolarHBondContact CE1-O 3.36Å; F65-W480 WeakPolarHBondContact CZ-O 3.17Å; F65-P484 VanDerWaalsContact CE2-O 3.26Å; F65-P484 WeakPolarHBondContact CE2-O 3.37Å; F65-F486 HydrophobicContact CB-CE2 3.56Å; F65-F486 HydrophobicContact CB-CZ 3.86Å; F65-F486 HydrophobicContact CD1-CD2 4.38Å; F65-F486 AromaticContact CD1-CE2 3.51Å; F65-F486 HydrophobicContact CD1-CE2 3.51Å; F65-F486 HydrophobicContact CD1-CZ 4.36Å; F65-F486 HydrophobicContact CD2-CE2 4.34Å; F65-F486 HydrophobicContact CE1-CE2 4.17Å; F65-F486 HydrophobicContact CG-CD2 4.43Å; F65-F486 AromaticContact CG-CE2 3.57Å; F65-F486 HydrophobicContact CG-CE2 3.57Å; F65-F486 HydrophobicContact CG-CZ 4.34Å; F65-R612 PolarHBondContact O-NH2 3.13Å
66	N	61.3	Low	63.3	Low	44 Å²	44	68.5 Å²	68.5	24%	0.235	35%	0.349	C	S	.	.			trans	-88.7	120.6	175	-169.5	-5	0	0	0	105.8	S64 D68 D69 I70	S64-N66 PolarHBondContact O-N 3.04Å; N66-D68 PolarHBondContact O-N 2.97Å; N66-D68 WeakPolarHBondContact OD1-CB 3.3Å; N66-D68 PolarHBondContact OD1-N 3.16Å; N66-D69 HydrophobicContact CB-CB 4.2Å; N66-D69 WeakPolarHBondContact O-CB 3.32Å; N66-D69 PolarHBondContact O-N 2.99Å; N66-I70 PolarHBondContact O-N 3.44Å
67	A	66.6	Low	65.1	Low	17 Å²	17	66.1 Å²	66.1	14%	0.14	33%	0.332	C	S	.	.	H	α-helix	trans	-48.7	-35.3	169.7	0	0	0	0	0	109.8	D69 I70 I71 W480	A67-D69 VanDerWaalsContact C-N 3.34Å; A67-D69 PolarHBondContact O-N 2.95Å; A67-I70 WeakPolarHBondContact O-CB 3.39Å; A67-I70 PolarHBondContact O-N 3.32Å; A67-I71 WeakPolarHBondContact O-CD1 3.48Å; A67-I71 WeakPolarHBondContact O-CG1 3.42Å; A67-I71 PolarHBondContact O-N 2.9Å; A67-I71 VanDerWaalsContact O-N 3.09Å; A67-W480 HydrophobicContact CB-CD2 4.28Å; A67-W480 HydrophobicContact CB-CH2 4.26Å; A67-W480 HydrophobicContact CB-CZ2 4.05Å
68	D	74.7	Confident	67.2	Low	47 Å²	47	63 Å²	63	25%	0.251	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-33.3	177.3	-60.4	-18.7	0	0	0	114.1	N66 I70 I71 M72 F339 K343	N66-D68 PolarHBondContact O-N 2.97Å; N66-D68 WeakPolarHBondContact OD1-CB 3.3Å; N66-D68 PolarHBondContact OD1-N 3.16Å; D68-I70 VanDerWaalsContact C-N 3.33Å; D68-I70 PolarHBondContact O-N 3.42Å; D68-I71 PolarHBondContact O-N 3.46Å; D68-M72 VanDerWaalsContact O-CB 3.24Å; D68-M72 WeakPolarHBondContact O-CB 3.4Å; D68-M72 VanDerWaalsContact O-CG 3.24Å; D68-M72 WeakPolarHBondContact O-CG 3.12Å; D68-M72 PolarHBondContact O-N 3.48Å; D68-F339 HydrophobicContact CB-CE1 3.56Å; D68-F339 HydrophobicContact CB-CZ 3.5Å; D68-F339 VanDerWaalsContact CB-CZ 3.5Å; D68-F339 WeakPolarHBondContact OD1-CE1 3.24Å; D68-K343 IonicContact OD1-NZ 2.69Å; D68-K343 PolarHBondContact OD1-NZ 3.12Å
69	D	75.4	Confident	69	Low	78 Å²	78	67.5 Å²	67.5	42%	0.417	34%	0.344	S	S	.	.	H	α-helix	trans	-69.7	-34	178.2	-70.2	-14.2	0	0	0	111.6	N66 A67 K73	N66-D69 HydrophobicContact CB-CB 4.2Å; N66-D69 WeakPolarHBondContact O-CB 3.32Å; N66-D69 PolarHBondContact O-N 2.99Å; A67-D69 VanDerWaalsContact C-N 3.34Å; A67-D69 PolarHBondContact O-N 2.95Å; D69-K73 WeakPolarHBondContact O-CB 3.4Å; D69-K73 VanDerWaalsContact O-CG 3.28Å; D69-K73 WeakPolarHBondContact O-CG 3.3Å; D69-K73 PolarHBondContact O-N 3.34Å
70	I	77.7	Confident	71	Confident	25 Å²	25	65 Å²	65	13%	0.128	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-46.9	176	-66.2	159.1	0	0	0	109.5	F65 N66 A67 D68 K73 M74 H354 Y356	F65-I70 HydrophobicContact CD1-CD1 3.88Å; F65-I70 HydrophobicContact CD2-CD1 4.48Å; F65-I70 HydrophobicContact CE1-CD1 3.24Å; F65-I70 HydrophobicContact CE2-CD1 3.93Å; F65-I70 HydrophobicContact CG-CD1 4.49Å; F65-I70 HydrophobicContact CZ-CD1 3.3Å; N66-I70 PolarHBondContact O-N 3.44Å; A67-I70 WeakPolarHBondContact O-CB 3.39Å; A67-I70 PolarHBondContact O-N 3.32Å; D68-I70 VanDerWaalsContact C-N 3.33Å; D68-I70 PolarHBondContact O-N 3.42Å; I70-K73 PolarHBondContact O-N 2.93Å; I70-M74 WeakPolarHBondContact O-CB 3.38Å; I70-M74 PolarHBondContact O-N 3.36Å; I70-H354 HydrophobicContact CG2-CB 4.04Å; I70-Y356 HydrophobicContact CD1-CD2 3.55Å; I70-Y356 HydrophobicContact CD1-CE2 3.65Å; I70-Y356 HydrophobicContact CG1-CD2 4.02Å; I70-Y356 HydrophobicContact CG1-CE2 3.84Å; I70-Y356 HydrophobicContact CG2-CD2 4.01Å; I70-Y356 HydrophobicContact CG2-CE2 4.39Å
71	I	82.9	Confident	72.7	Confident	14 Å²	14	65.9 Å²	65.9	7%	0.072	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-44	178.5	-58.8	167.5	0	0	0	109.6	A67 D68 K73 M74 L75 F339 K343 I350	A67-I71 WeakPolarHBondContact O-CD1 3.48Å; A67-I71 WeakPolarHBondContact O-CG1 3.42Å; A67-I71 PolarHBondContact O-N 2.9Å; A67-I71 VanDerWaalsContact O-N 3.09Å; D68-I71 PolarHBondContact O-N 3.46Å; I71-K73 VanDerWaalsContact C-N 3.34Å; I71-K73 PolarHBondContact O-N 3.08Å; I71-M74 CarbonylContact O-C 3.59Å; I71-M74 WeakPolarHBondContact O-CB 3.35Å; I71-M74 PolarHBondContact O-N 3.38Å; I71-M74 VanDerWaalsContact O-N 3.13Å; I71-L75 HydrophobicContact CG2-CD1 4.09Å; I71-L75 HydrophobicContact CG2-CG 4.3Å; I71-L75 WeakPolarHBondContact O-CG 3.26Å; I71-L75 PolarHBondContact O-N 3.26Å; I71-F339 HydrophobicContact CB-CE2 3.95Å; I71-F339 HydrophobicContact CB-CZ 4.03Å; I71-F339 HydrophobicContact CD1-CZ 4.49Å; I71-F339 HydrophobicContact CG2-CE2 3.65Å; I71-F339 HydrophobicContact CG2-CZ 4.05Å; I71-K343 HydrophobicContact CD1-CD 3.97Å; I71-K343 HydrophobicContact CD1-CG 4.15Å; I71-K343 HydrophobicContact CG2-CG 4.35Å; I71-I350 HydrophobicContact CB-CG2 4.25Å; I71-I350 HydrophobicContact CD1-CG2 3.67Å; I71-I350 HydrophobicContact CG1-CG2 3.5Å; I71-I350 HydrophobicContact CG2-CD1 4.02Å; I71-I350 HydrophobicContact CG2-CG1 4.29Å; I71-I350 HydrophobicContact CG2-CG2 3.77Å
72	M	85.2	Confident	74.6	Confident	38 Å²	38	71.7 Å²	71.7	19%	0.187	36%	0.356	C	S	.	.	H	α-helix	trans	-60.5	-42.3	176.7	-81.6	-55.9	-50	0	0	112.4	D68 L75 Q76 Y93 F339	D68-M72 VanDerWaalsContact O-CB 3.24Å; D68-M72 WeakPolarHBondContact O-CB 3.4Å; D68-M72 VanDerWaalsContact O-CG 3.24Å; D68-M72 WeakPolarHBondContact O-CG 3.12Å; D68-M72 PolarHBondContact O-N 3.48Å; M72-L75 PolarHBondContact O-N 3.25Å; M72-Q76 HydrophobicContact CE-CG 4.31Å; M72-Q76 VanDerWaalsContact CE-NE2 3.3Å; M72-Q76 WeakPolarHBondContact O-CB 3.45Å; M72-Q76 WeakPolarHBondContact O-CG 3.19Å; M72-Q76 PolarHBondContact O-N 3.36Å; M72-Q76 VanDerWaalsContact O-N 3.1Å; M72-Y93 HydrophobicContact CE-CE1 4.25Å; M72-Y93 WeakPolarHBondContact CE-OH 3.37Å; M72-Y93 HydrophobicContact SD-CE2 4.48Å; M72-F339 HydrophobicContact CG-CD2 3.87Å; M72-F339 HydrophobicContact CG-CE2 3.58Å; M72-F339 HydrophobicContact CG-CZ 4.22Å; M72-F339 HydrophobicContact SD-CB 4.47Å; M72-F339 HydrophobicContact SD-CD2 3.15Å; M72-F339 WeakPolarHBondContact SD-CD2 3.47Å; M72-F339 HydrophobicContact SD-CE2 3.5Å; M72-F339 WeakPolarHBondContact SD-CE2 3.47Å; M72-F339 HydrophobicContact SD-CG 3.98Å
73	K	86.3	Confident	76.8	Confident	141 Å²	141	68.8 Å²	68.8	61%	0.613	34%	0.342	S	S	*	.	H	α-helix	trans	-61.6	-44.2	172.9	-77.5	173.9	-176.9	174.7	0	111.5	D69 I70 I71 L75 Q76 S77	D69-K73 WeakPolarHBondContact O-CB 3.4Å; D69-K73 VanDerWaalsContact O-CG 3.28Å; D69-K73 WeakPolarHBondContact O-CG 3.3Å; D69-K73 PolarHBondContact O-N 3.34Å; I70-K73 PolarHBondContact O-N 2.93Å; I71-K73 VanDerWaalsContact C-N 3.34Å; I71-K73 PolarHBondContact O-N 3.08Å; K73-L75 VanDerWaalsContact C-N 3.34Å; K73-L75 PolarHBondContact O-N 3.1Å; K73-Q76 CarbonylContact O-C 3.57Å; K73-Q76 PolarHBondContact O-N 3.15Å; K73-S77 WeakPolarHBondContact O-CB 3.46Å; K73-S77 PolarHBondContact O-N 2.74Å
74	M	87.9	Confident	78.9	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-59.6	-43.1	175.8	176.4	-175.3	176.4	0	0	111.8	I70 I71 Q76 S77 Y80 V86 Q90 E353 H354	I70-M74 WeakPolarHBondContact O-CB 3.38Å; I70-M74 PolarHBondContact O-N 3.36Å; I71-M74 CarbonylContact O-C 3.59Å; I71-M74 WeakPolarHBondContact O-CB 3.35Å; I71-M74 PolarHBondContact O-N 3.38Å; I71-M74 VanDerWaalsContact O-N 3.13Å; M74-Q76 PolarHBondContact O-N 3.43Å; M74-S77 PolarHBondContact O-N 3.4Å; M74-Y80 HydrophobicContact CB-CE2 4.04Å; M74-Y80 HydrophobicContact CG-CD2 4.07Å; M74-Y80 HydrophobicContact CG-CE2 3.75Å; M74-V86 HydrophobicContact CE-CB 4.06Å; M74-V86 HydrophobicContact CE-CG1 3.6Å; M74-V86 HydrophobicContact CE-CG2 3.33Å; M74-V86 HydrophobicContact CG-CG1 4.07Å; M74-Q90 PolarHBondContact O-NE2 2.92Å; M74-E353 HydrophobicContact CE-CB 3.78Å; M74-H354 HydrophobicContact SD-CB 4.05Å
75	L	89.7	Confident	80.9	Confident	10 Å²	10	61.4 Å²	61.4	5%	0.052	32%	0.318	C	S	.	.	H	α-helix	trans	-69.1	-19.7	178.5	-67.1	176.8	0	0	0	113.7	I71 M72 K73 A89 Q90 Y93 F339 T342	I71-L75 HydrophobicContact CG2-CD1 4.09Å; I71-L75 HydrophobicContact CG2-CG 4.3Å; I71-L75 WeakPolarHBondContact O-CG 3.26Å; I71-L75 PolarHBondContact O-N 3.26Å; M72-L75 PolarHBondContact O-N 3.25Å; K73-L75 VanDerWaalsContact C-N 3.34Å; K73-L75 PolarHBondContact O-N 3.1Å; L75-A89 HydrophobicContact CD2-CB 4.09Å; L75-Q90 HydrophobicContact CD2-CG 4.48Å; L75-Y93 HydrophobicContact CB-CD1 4.37Å; L75-Y93 HydrophobicContact CD1-CD2 4.1Å; L75-Y93 HydrophobicContact CD1-CG 4.06Å; L75-F339 HydrophobicContact CD1-CD2 4.02Å; L75-F339 HydrophobicContact CD1-CE2 4.18Å; L75-T342 HydrophobicContact CD1-CG2 3.97Å; L75-T342 HydrophobicContact CD2-CG2 3.83Å
76	Q	89.3	Confident	82.6	Confident	138 Å²	138	60.2 Å²	60.2	65%	0.645	31%	0.313	S	S	*	.	H	α-helix	trans	-107.1	-5.5	179.6	-66.6	177.8	-13.7	0	0	113.6	M72 K73 M74	M72-Q76 HydrophobicContact CE-CG 4.31Å; M72-Q76 VanDerWaalsContact CE-NE2 3.3Å; M72-Q76 WeakPolarHBondContact O-CB 3.45Å; M72-Q76 WeakPolarHBondContact O-CG 3.19Å; M72-Q76 PolarHBondContact O-N 3.36Å; M72-Q76 VanDerWaalsContact O-N 3.1Å; K73-Q76 CarbonylContact O-C 3.57Å; K73-Q76 PolarHBondContact O-N 3.15Å; M74-Q76 PolarHBondContact O-N 3.43Å
77	S	88.2	Confident	83.9	Confident	26 Å²	26	62.9 Å²	62.9	18%	0.182	32%	0.322	C	S	.	.			trans	-87.2	144.2	-173.5	178.2	0	0	0	0	112.4	K73 M74 E79 Q90	K73-S77 WeakPolarHBondContact O-CB 3.46Å; K73-S77 PolarHBondContact O-N 2.74Å; M74-S77 PolarHBondContact O-N 3.4Å; S77-E79 VanDerWaalsContact OG-CB 3.27Å; S77-E79 WeakPolarHBondContact OG-CB 3.37Å; S77-E79 VanDerWaalsContact OG-CG 3.3Å; S77-E79 WeakPolarHBondContact OG-CG 3.2Å; S77-E79 PolarHBondContact OG-N 3.22Å; S77-Q90 PolarHBondContact O-NE2 2.95Å
78	T	86.8	Confident	84.9	Confident	106 Å²	106	62.6 Å²	62.6	65%	0.65	32%	0.32	S	S	*	.	S	Bend	trans	-88.9	-3.5	169.4	57.7	0	0	0	0	112.6	Y80 E81	T78-Y80 PolarHBondContact O-N 3.35Å; T78-E81 WeakPolarHBondContact O-CG 3.49Å; T78-E81 PolarHBondContact O-N 3.36Å
79	E	86.2	Confident	85.5	Confident	163 Å²	163	60.3 Å²	60.3	76%	0.762	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-19	-179.3	-64.7	172.9	169.5	0	0	113	S77	S77-E79 VanDerWaalsContact OG-CB 3.27Å; S77-E79 WeakPolarHBondContact OG-CB 3.37Å; S77-E79 VanDerWaalsContact OG-CG 3.3Å; S77-E79 WeakPolarHBondContact OG-CG 3.2Å; S77-E79 PolarHBondContact OG-N 3.22Å
80	Y	84.7	Confident	86.3	Confident	33 Å²	33	58.4 Å²	58.4	13%	0.129	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	19.8	-176.6	-63.5	-81.4	0	0	0	113.4	M74 T78 D82 V83 V86 E353 K355	M74-Y80 HydrophobicContact CB-CE2 4.04Å; M74-Y80 HydrophobicContact CG-CD2 4.07Å; M74-Y80 HydrophobicContact CG-CE2 3.75Å; T78-Y80 PolarHBondContact O-N 3.35Å; Y80-D82 PolarHBondContact O-N 3.03Å; Y80-D82 VanDerWaalsContact O-N 3.16Å; Y80-V83 HydrophobicContact CD1-CG2 4.4Å; Y80-V83 PolarHBondContact O-N 3.3Å; Y80-V86 VanDerWaalsContact CB-CG1 3.48Å; Y80-V86 HydrophobicContact CD1-CG1 4.22Å; Y80-V86 HydrophobicContact CD1-CG2 4.18Å; Y80-V86 HydrophobicContact CD2-CG1 4.31Å; Y80-V86 HydrophobicContact CG-CB 4.4Å; Y80-V86 HydrophobicContact CG-CG1 3.76Å; Y80-E353 WeakPolarHBondContact CE1-O 3.34Å; Y80-E353 PolarHBondContact OH-O 2.97Å; Y80-K355 PolarHBondContact OH-N 3.04Å
81	E	79.7	Confident	86.9	Confident	108 Å²	108	58.4 Å²	58.4	51%	0.505	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.6	-177.1	-86	-179.7	-158.6	0	0	113.3	T78 V83 K87	T78-E81 WeakPolarHBondContact O-CG 3.49Å; T78-E81 PolarHBondContact O-N 3.36Å; E81-V83 VanDerWaalsContact C-N 3.33Å; E81-V83 PolarHBondContact O-N 3.14Å; E81-K87 WeakPolarHBondContact O-CD 3.49Å; E81-K87 WeakPolarHBondContact O-CE 3.45Å; E81-K87 PolarHBondContact O-NZ 3.36Å
82	D	84.4	Confident	87.2	Confident	158 Å²	158	57.8 Å²	57.8	85%	0.845	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	4.7	179.8	-63.4	-38.4	0	0	0	113.8	Y80 P84	Y80-D82 PolarHBondContact O-N 3.03Å; Y80-D82 VanDerWaalsContact O-N 3.16Å; D82-P84 WeakPolarHBondContact O-CD 3.41Å
83	V	87.7	Confident	87.6	Confident	35 Å²	35	58.2 Å²	58.2	21%	0.212	30%	0.297	C	S	.	.			trans	-112.5	97	-178.6	-167	0	0	0	0	110.3	Y80 E81 S85 V86 K87 E353	Y80-V83 HydrophobicContact CD1-CG2 4.4Å; Y80-V83 PolarHBondContact O-N 3.3Å; E81-V83 VanDerWaalsContact C-N 3.33Å; E81-V83 PolarHBondContact O-N 3.14Å; V83-S85 VanDerWaalsContact C-N 3.31Å; V83-S85 PolarHBondContact O-N 3.35Å; V83-V86 HydrophobicContact CB-CB 4.15Å; V83-V86 HydrophobicContact CB-CG2 3.91Å; V83-V86 HydrophobicContact CG1-CB 4.27Å; V83-V86 HydrophobicContact CG1-CG2 3.61Å; V83-V86 PolarHBondContact O-N 2.7Å; V83-K87 PolarHBondContact O-N 2.84Å; V83-E353 HydrophobicContact CG1-CG 4.16Å
84	P	86.6	Confident	87.8	Confident	76 Å²	76	56.5 Å²	56.5	49%	0.494	29%	0.289	S	S	.	.	H	α-helix	trans	-57.5	-37.1	-172.5	-28.1	35.6	0	0	0	114.7	D82 V86 K87 A88 L424	D82-P84 WeakPolarHBondContact O-CD 3.41Å; P84-V86 VanDerWaalsContact C-N 3.35Å; P84-V86 PolarHBondContact O-N 3.12Å; P84-K87 WeakPolarHBondContact O-CB 3.44Å; P84-K87 PolarHBondContact O-N 2.87Å; P84-A88 PolarHBondContact O-N 3.19Å; P84-L424 HydrophobicContact CB-CD1 3.87Å; P84-L424 HydrophobicContact CB-CD2 4.1Å
85	S	84.3	Confident	88	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-65.7	-37.7	178	54.5	0	0	0	0	112.3	V83 A88 A89	V83-S85 VanDerWaalsContact C-N 3.31Å; V83-S85 PolarHBondContact O-N 3.35Å; S85-A88 WeakPolarHBondContact O-CB 3.13Å; S85-A88 PolarHBondContact O-N 3.38Å; S85-A89 PolarHBondContact O-N 2.73Å
86	V	88.7	Confident	88.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69.7	-41.6	175.8	-177.8	0	0	0	0	110.3	M74 Y80 V83 P84 A88 A89 Q90 T349 E353	M74-V86 HydrophobicContact CE-CB 4.06Å; M74-V86 HydrophobicContact CE-CG1 3.6Å; M74-V86 HydrophobicContact CE-CG2 3.33Å; M74-V86 HydrophobicContact CG-CG1 4.07Å; Y80-V86 VanDerWaalsContact CB-CG1 3.48Å; Y80-V86 HydrophobicContact CD1-CG1 4.22Å; Y80-V86 HydrophobicContact CD1-CG2 4.18Å; Y80-V86 HydrophobicContact CD2-CG1 4.31Å; Y80-V86 HydrophobicContact CG-CB 4.4Å; Y80-V86 HydrophobicContact CG-CG1 3.76Å; V83-V86 HydrophobicContact CB-CB 4.15Å; V83-V86 HydrophobicContact CB-CG2 3.91Å; V83-V86 HydrophobicContact CG1-CB 4.27Å; V83-V86 HydrophobicContact CG1-CG2 3.61Å; V83-V86 PolarHBondContact O-N 2.7Å; P84-V86 VanDerWaalsContact C-N 3.35Å; P84-V86 PolarHBondContact O-N 3.12Å; V86-A88 VanDerWaalsContact C-N 3.26Å; V86-A88 PolarHBondContact O-N 3.34Å; V86-A89 WeakPolarHBondContact O-CB 3.38Å; V86-A89 PolarHBondContact O-N 2.81Å; V86-A89 VanDerWaalsContact O-N 3.11Å; V86-Q90 HydrophobicContact CG1-CG 4.3Å; V86-Q90 VanDerWaalsContact O-CG 3.29Å; V86-Q90 WeakPolarHBondContact O-CG 3.07Å; V86-Q90 PolarHBondContact O-N 3.42Å; V86-T349 HydrophobicContact CG2-CG2 3.93Å; V86-E353 HydrophobicContact CG2-CB 3.66Å; V86-E353 HydrophobicContact CG2-CG 3.93Å
87	K	88.1	Confident	88.2	Confident	99 Å²	99	52.5 Å²	52.5	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-56	-40.6	171.1	-83.3	-178.5	155.3	162.4	0	112.2	E81 V83 P84 Q90 A91	E81-K87 WeakPolarHBondContact O-CD 3.49Å; E81-K87 WeakPolarHBondContact O-CE 3.45Å; E81-K87 PolarHBondContact O-NZ 3.36Å; V83-K87 PolarHBondContact O-N 2.84Å; P84-K87 WeakPolarHBondContact O-CB 3.44Å; P84-K87 PolarHBondContact O-N 2.87Å; K87-Q90 PolarHBondContact O-N 3.42Å; K87-A91 VanDerWaalsContact O-CB 3.29Å; K87-A91 WeakPolarHBondContact O-CB 3.49Å; K87-A91 PolarHBondContact O-N 2.86Å
88	A	87.7	Confident	88.3	Confident	11 Å²	11	54.8 Å²	54.8	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-44.1	175.3	0	0	0	0	0	111.9	P84 S85 V86 A91 F92 F346 I423 L424 L428	P84-A88 PolarHBondContact O-N 3.19Å; S85-A88 WeakPolarHBondContact O-CB 3.13Å; S85-A88 PolarHBondContact O-N 3.38Å; V86-A88 VanDerWaalsContact C-N 3.26Å; V86-A88 PolarHBondContact O-N 3.34Å; A88-A91 PolarHBondContact O-N 3.48Å; A88-F92 WeakPolarHBondContact O-CB 3.39Å; A88-F92 PolarHBondContact O-N 2.97Å; A88-F346 HydrophobicContact CB-CE1 3.88Å; A88-I423 HydrophobicContact CB-CG2 4.48Å; A88-L424 HydrophobicContact CB-CD2 4.27Å; A88-L428 HydrophobicContact CB-CD1 3.75Å; A88-L428 VanDerWaalsContact O-CD1 3.29Å; A88-L428 WeakPolarHBondContact O-CD1 3.4Å
89	A	88.9	Confident	88.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-42.6	175.4	0	0	0	0	0	112.4	L75 S85 V86 F92 Y93 T342 F346	L75-A89 HydrophobicContact CD2-CB 4.09Å; S85-A89 PolarHBondContact O-N 2.73Å; V86-A89 WeakPolarHBondContact O-CB 3.38Å; V86-A89 PolarHBondContact O-N 2.81Å; V86-A89 VanDerWaalsContact O-N 3.11Å; A89-F92 PolarHBondContact O-N 2.75Å; A89-Y93 WeakPolarHBondContact O-CB 3.48Å; A89-Y93 PolarHBondContact O-N 3.32Å; A89-T342 HydrophobicContact CB-CG2 4.39Å; A89-F346 HydrophobicContact CB-CB 3.82Å; A89-F346 HydrophobicContact CB-CD1 3.56Å; A89-F346 HydrophobicContact CB-CD2 4.21Å; A89-F346 HydrophobicContact CB-CE1 4.17Å; A89-F346 HydrophobicContact CB-CG 3.58Å
90	Q	91.2	Very high	88.6	Confident	38 Å²	38	45 Å²	45	18%	0.178	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-44.8	175.4	-70.7	177.1	-18.8	0	0	111.7	M74 L75 S77 V86 K87 Y93 K94	M74-Q90 PolarHBondContact O-NE2 2.92Å; L75-Q90 HydrophobicContact CD2-CG 4.48Å; S77-Q90 PolarHBondContact O-NE2 2.95Å; V86-Q90 HydrophobicContact CG1-CG 4.3Å; V86-Q90 VanDerWaalsContact O-CG 3.29Å; V86-Q90 WeakPolarHBondContact O-CG 3.07Å; V86-Q90 PolarHBondContact O-N 3.42Å; K87-Q90 PolarHBondContact O-N 3.42Å; Q90-Y93 PolarHBondContact O-N 2.84Å; Q90-K94 WeakPolarHBondContact O-CB 3.31Å; Q90-K94 PolarHBondContact O-N 3.12Å
91	A	89.6	Confident	88.8	Confident	25 Å²	25	48 Å²	48	21%	0.207	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-47.1	176.3	0	0	0	0	0	111	K87 A88 Y93 K94 T95	K87-A91 VanDerWaalsContact O-CB 3.29Å; K87-A91 WeakPolarHBondContact O-CB 3.49Å; K87-A91 PolarHBondContact O-N 2.86Å; A88-A91 PolarHBondContact O-N 3.48Å; A91-Y93 PolarHBondContact O-N 3.24Å; A91-K94 PolarHBondContact O-N 2.8Å; A91-T95 WeakPolarHBondContact O-CG2 3.37Å; A91-T95 PolarHBondContact O-N 2.99Å; A91-T95 PolarHBondContact O-OG1 2.92Å
92	F	90.9	Very high	89.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-47.6	175.8	179.8	-86.4	0	0	0	112.4	A88 A89 K94 T95 C96 E341 T342 N345 F346 L428 Y433 N436 A437	A88-F92 WeakPolarHBondContact O-CB 3.39Å; A88-F92 PolarHBondContact O-N 2.97Å; A89-F92 PolarHBondContact O-N 2.75Å; F92-K94 VanDerWaalsContact C-N 3.32Å; F92-K94 PolarHBondContact O-N 3.22Å; F92-T95 PolarHBondContact O-N 3.3Å; F92-T95 PolarHBondContact O-OG1 3.06Å; F92-C96 WeakPolarHBondContact O-CB 3.28Å; F92-C96 PolarHBondContact O-N 3.2Å; F92-E341 HydrophobicContact CE1-CB 3.97Å; F92-E341 HydrophobicContact CZ-CB 4.24Å; F92-T342 HydrophobicContact CD1-CG2 4.33Å; F92-T342 WeakPolarHBondContact CD1-OG1 3.34Å; F92-N345 VanDerWaalsContact CZ-ND2 3.3Å; F92-N345 WeakPolarHBondContact CZ-ND2 3.45Å; F92-F346 HydrophobicContact CB-CD2 4.37Å; F92-F346 HydrophobicContact CB-CE2 3.4Å; F92-F346 HydrophobicContact CB-CZ 3.65Å; F92-F346 HydrophobicContact CD1-CD2 4.34Å; F92-F346 AromaticContact CD1-CE2 3.81Å; F92-F346 HydrophobicContact CD1-CE2 3.81Å; F92-F346 AromaticContact CD2-CE2 3.82Å; F92-F346 HydrophobicContact CD2-CE2 3.82Å; F92-F346 HydrophobicContact CD2-CZ 4.32Å; F92-F346 HydrophobicContact CG-CD2 4.32Å; F92-F346 AromaticContact CG-CE2 3.39Å; F92-F346 HydrophobicContact CG-CE2 3.39Å; F92-F346 HydrophobicContact CG-CZ 4.04Å; F92-L428 HydrophobicContact CB-CD1 4.43Å; F92-Y433 HydrophobicContact CE2-CD2 4.46Å; F92-Y433 HydrophobicContact CE2-CE2 4.34Å; F92-Y433 HydrophobicContact CZ-CD2 4.46Å; F92-Y433 AromaticContact CZ-CE2 3.97Å; F92-Y433 HydrophobicContact CZ-CE2 3.97Å; F92-N436 HydrophobicContact CD2-CB 3.9Å; F92-N436 HydrophobicContact CE2-CB 4.38Å; F92-A437 HydrophobicContact CE2-CB 4.04Å; F92-A437 HydrophobicContact CZ-CB 4.48Å
93	Y	91.8	Very high	89.6	Confident	47 Å²	47	40 Å²	40	18%	0.184	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-43.1	178.3	178.6	-107.1	0	0	0	112	M72 L75 A89 Q90 A91 T97 C338 F339	M72-Y93 HydrophobicContact CE-CE1 4.25Å; M72-Y93 WeakPolarHBondContact CE-OH 3.37Å; M72-Y93 HydrophobicContact SD-CE2 4.48Å; L75-Y93 HydrophobicContact CB-CD1 4.37Å; L75-Y93 HydrophobicContact CD1-CD2 4.1Å; L75-Y93 HydrophobicContact CD1-CG 4.06Å; A89-Y93 WeakPolarHBondContact O-CB 3.48Å; A89-Y93 PolarHBondContact O-N 3.32Å; Q90-Y93 PolarHBondContact O-N 2.84Å; A91-Y93 PolarHBondContact O-N 3.24Å; Y93-T97 WeakPolarHBondContact O-CB 3.3Å; Y93-T97 PolarHBondContact O-N 2.86Å; Y93-T97 PolarHBondContact O-OG1 3.3Å; Y93-C338 HydrophobicContact CD2-CB 4.24Å; Y93-C338 HydrophobicContact CE2-CB 4.15Å; Y93-F339 HydrophobicContact CE2-CB 4.13Å
94	K	91.8	Very high	89.8	Confident	106 Å²	106	44.2 Å²	44.2	46%	0.461	25%	0.249	S	C	.	.	H	α-helix	trans	-62.7	-47.4	175.6	-176.8	-173.1	173.6	-162.7	0	111.2	Q90 A91 F92 C96 T97 I98 E430	Q90-K94 WeakPolarHBondContact O-CB 3.31Å; Q90-K94 PolarHBondContact O-N 3.12Å; A91-K94 PolarHBondContact O-N 2.8Å; F92-K94 VanDerWaalsContact C-N 3.32Å; F92-K94 PolarHBondContact O-N 3.22Å; K94-C96 PolarHBondContact O-N 3.14Å; K94-T97 PolarHBondContact O-N 2.7Å; K94-I98 HydrophobicContact CG-CD1 4.12Å; K94-I98 WeakPolarHBondContact O-CG1 3.37Å; K94-I98 PolarHBondContact O-N 3.18Å; K94-E430 IonicContact NZ-OE2 3.65Å; K94-E430 PolarHBondContact NZ-OE2 2.02Å
95	T	91.8	Very high	90.2	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-38.9	-179	65.4	0	0	0	0	112.3	A91 F92 I98 A99 E430 N436	A91-T95 WeakPolarHBondContact O-CG2 3.37Å; A91-T95 PolarHBondContact O-N 2.99Å; A91-T95 PolarHBondContact O-OG1 2.92Å; F92-T95 PolarHBondContact O-N 3.3Å; F92-T95 PolarHBondContact O-OG1 3.06Å; T95-I98 PolarHBondContact O-N 3.48Å; T95-A99 WeakPolarHBondContact O-CB 3.42Å; T95-A99 PolarHBondContact O-N 2.92Å; T95-E430 VanDerWaalsContact CG2-C 3.46Å; T95-E430 WeakPolarHBondContact CG2-O 3.2Å; T95-N436 PolarHBondContact OG1-ND2 3.41Å
96	C	91.8	Very high	90.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-45.9	173.2	-178.5	0	0	0	0	111.3	F92 K94 I98 A99 S100 C338 Y433	F92-C96 WeakPolarHBondContact O-CB 3.28Å; F92-C96 PolarHBondContact O-N 3.2Å; K94-C96 PolarHBondContact O-N 3.14Å; C96-I98 VanDerWaalsContact C-N 3.3Å; C96-I98 PolarHBondContact O-N 3.3Å; C96-A99 PolarHBondContact O-N 3.4Å; C96-A99 VanDerWaalsContact O-N 3.15Å; C96-S100 WeakPolarHBondContact O-CB 3.4Å; C96-S100 PolarHBondContact O-N 2.89Å; C96-C338 HydrophobicContact CB-CB 3.67Å; C96-C338 WeakPolarHBondContact CB-SG 3.45Å; C96-C338 PolarHBondContact O-SG 2.83Å; C96-C338 VanDerWaalsContact O-SG 3.35Å; C96-C338 WeakPolarHBondContact SG-CA 3.31Å; C96-C338 WeakPolarHBondContact SG-CB 3.06Å; C96-C338 CovalentContact SG-SG 2.05Å; C96-C338 PolarHBondContact SG-SG 3.09Å; C96-Y433 VanDerWaalsContact CA-CD2 3.49Å; C96-Y433 HydrophobicContact CB-CD2 3.61Å; C96-Y433 HydrophobicContact CB-CE2 3.55Å
97	T	90.9	Very high	90.8	Very high	61 Å²	61	50.1 Å²	50.1	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-42	179.5	-57.2	0	0	0	0	110.9	Y93 K94 S100 C338	Y93-T97 WeakPolarHBondContact O-CB 3.3Å; Y93-T97 PolarHBondContact O-N 2.86Å; Y93-T97 PolarHBondContact O-OG1 3.3Å; K94-T97 PolarHBondContact O-N 2.7Å; T97-S100 PolarHBondContact O-N 2.89Å; T97-S100 PolarHBondContact O-OG 3.3Å; T97-C338 PolarHBondContact N-SG 2.9Å
98	I	91	Very high	91.1	Very high	74 Å²	74	48.9 Å²	48.9	38%	0.379	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-47.9	174.5	-64.4	166.5	0	0	0	110.4	K94 T95 C96 S100 S101 M102	K94-I98 HydrophobicContact CG-CD1 4.12Å; K94-I98 WeakPolarHBondContact O-CG1 3.37Å; K94-I98 PolarHBondContact O-N 3.18Å; T95-I98 PolarHBondContact O-N 3.48Å; C96-I98 VanDerWaalsContact C-N 3.3Å; C96-I98 PolarHBondContact O-N 3.3Å; I98-S100 VanDerWaalsContact C-N 3.3Å; I98-S100 PolarHBondContact O-N 3.17Å; I98-S101 PolarHBondContact O-N 3.11Å; I98-S101 VanDerWaalsContact O-N 3.08Å; I98-S101 PolarHBondContact O-OG 2.98Å; I98-M102 HydrophobicContact CG2-CE 3.78Å; I98-M102 PolarHBondContact O-N 3.32Å
99	A	90.7	Very high	91.4	Very high	3 Å²	3	54.5 Å²	54.5	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-57.7	-41.6	178.8	0	0	0	0	0	112	T95 C96 S101 M102 Y322 Y433	T95-A99 WeakPolarHBondContact O-CB 3.42Å; T95-A99 PolarHBondContact O-N 2.92Å; C96-A99 PolarHBondContact O-N 3.4Å; C96-A99 VanDerWaalsContact O-N 3.15Å; A99-S101 PolarHBondContact O-N 3.39Å; A99-S101 VanDerWaalsContact O-N 3.07Å; A99-M102 VanDerWaalsContact O-CB 3.29Å; A99-M102 WeakPolarHBondContact O-CB 3.26Å; A99-M102 PolarHBondContact O-N 3.2Å; A99-Y322 WeakPolarHBondContact CB-OH 2.94Å; A99-Y322 WeakPolarHBondContact O-CE1 3.36Å; A99-Y433 HydrophobicContact CB-CD1 3.68Å; A99-Y433 HydrophobicContact CB-CE1 4.5Å; A99-Y433 HydrophobicContact CB-CG 3.77Å
100	S	87.8	Confident	91.6	Very high	60 Å²	60	56.5 Å²	56.5	42%	0.42	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-22.4	178.1	77.8	0	0	0	0	114	C96 T97 I98 Y322	C96-S100 WeakPolarHBondContact O-CB 3.4Å; C96-S100 PolarHBondContact O-N 2.89Å; T97-S100 PolarHBondContact O-N 2.89Å; T97-S100 PolarHBondContact O-OG 3.3Å; I98-S100 VanDerWaalsContact C-N 3.3Å; I98-S100 PolarHBondContact O-N 3.17Å; S100-Y322 PolarHBondContact N-OH 3.32Å
101	S	88.5	Confident	91.8	Very high	97 Å²	97	54.8 Å²	54.8	68%	0.678	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-6	176.2	74.1	0	0	0	0	114.2	I98 A99	I98-S101 PolarHBondContact O-N 3.11Å; I98-S101 VanDerWaalsContact O-N 3.08Å; I98-S101 PolarHBondContact O-OG 2.98Å; A99-S101 PolarHBondContact O-N 3.39Å; A99-S101 VanDerWaalsContact O-N 3.07Å
102	M	90.8	Very high	92	Very high	55 Å²	55	55 Å²	55	27%	0.271	30%	0.304	S	S	.	.	S	Bend	trans	-77	143.8	-179.2	-63.2	-173.2	-174.6	0	0	111.9	I98 A99 L106 I107	I98-M102 HydrophobicContact CG2-CE 3.78Å; I98-M102 PolarHBondContact O-N 3.32Å; A99-M102 VanDerWaalsContact O-CB 3.29Å; A99-M102 WeakPolarHBondContact O-CB 3.26Å; A99-M102 PolarHBondContact O-N 3.2Å; M102-L106 HydrophobicContact CB-CB 4.28Å; M102-L106 HydrophobicContact SD-CB 4.35Å; M102-I107 HydrophobicContact CB-CD1 3.91Å; M102-I107 HydrophobicContact CB-CG1 4.11Å; M102-I107 HydrophobicContact SD-CD1 4.31Å
103	G	91	Very high	92.1	Very high	42 Å²	42	58.1 Å²	58.1	43%	0.433	32%	0.318	S	S	.	.			trans	-69.7	152	169.6	0	0	0	0	0	112.5	P105 L106 I107	G103-P105 VanDerWaalsContact C-N 3.3Å; G103-P105 VanDerWaalsContact O-N 3.11Å; G103-L106 PolarHBondContact O-N 3.26Å; G103-I107 PolarHBondContact O-N 2.74Å
104	K	92.6	Very high	92.3	Very high	125 Å²	125	56 Å²	56	54%	0.543	31%	0.31	S	S	.	.	H	α-helix	trans	-45.2	-41	178.7	-64.9	-175.7	-178.8	-169	0	115	L106 I107 K108 Y322 F323	K104-L106 VanDerWaalsContact C-N 3.35Å; K104-L106 PolarHBondContact O-N 2.85Å; K104-I107 PolarHBondContact O-N 3.28Å; K104-K108 PolarHBondContact O-N 2.96Å; K104-Y322 WeakPolarHBondContact CE-O 3.28Å; K104-F323 HydrophobicContact CB-CE1 4.01Å; K104-F323 HydrophobicContact CB-CZ 4.5Å; K104-F323 HydrophobicContact CD-CD1 4.18Å; K104-F323 HydrophobicContact CD-CE1 4.02Å; K104-F323 HydrophobicContact CG-CE1 4.03Å
105	P	93.8	Very high	92.5	Very high	106 Å²	106	51 Å²	51	69%	0.688	29%	0.289	S	S	*	.	H	α-helix	trans	-62.2	-37.3	178.3	-24.9	35.6	0	0	0	114.2	G103 K109	G103-P105 VanDerWaalsContact C-N 3.3Å; G103-P105 VanDerWaalsContact O-N 3.11Å; P105-K109 PolarHBondContact O-N 3.08Å; P105-K109 VanDerWaalsContact O-N 3.12Å
106	L	92.8	Very high	92.6	Very high	99 Å²	99	57.2 Å²	57.2	52%	0.518	32%	0.315	S	S	.	.	H	α-helix	trans	-71.5	-38.7	176.8	-72.1	173	0	0	0	111	M102 G103 K104 K109 K110	M102-L106 HydrophobicContact CB-CB 4.28Å; M102-L106 HydrophobicContact SD-CB 4.35Å; G103-L106 PolarHBondContact O-N 3.26Å; K104-L106 VanDerWaalsContact C-N 3.35Å; K104-L106 PolarHBondContact O-N 2.85Å; L106-K109 WeakPolarHBondContact O-CB 3.2Å; L106-K109 PolarHBondContact O-N 3.48Å; L106-K110 WeakPolarHBondContact O-CG 3.26Å; L106-K110 PolarHBondContact O-N 2.8Å
107	I	93.5	Very high	92.7	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-48.3	173.9	-64.7	-63.6	0	0	0	110.9	M102 G103 K104 K109 K110 I111 Y322 F323 F434	M102-I107 HydrophobicContact CB-CD1 3.91Å; M102-I107 HydrophobicContact CB-CG1 4.11Å; M102-I107 HydrophobicContact SD-CD1 4.31Å; G103-I107 PolarHBondContact O-N 2.74Å; K104-I107 PolarHBondContact O-N 3.28Å; I107-K109 VanDerWaalsContact C-N 3.28Å; I107-K109 PolarHBondContact O-N 3.4Å; I107-K110 PolarHBondContact O-N 3.04Å; I107-I111 HydrophobicContact CG2-CD1 3.84Å; I107-I111 HydrophobicContact CG2-CG1 4.48Å; I107-I111 WeakPolarHBondContact O-CG1 3.43Å; I107-I111 PolarHBondContact O-N 2.93Å; I107-Y322 HydrophobicContact CB-CD1 4.49Å; I107-Y322 HydrophobicContact CD1-CD1 3.64Å; I107-Y322 HydrophobicContact CD1-CE1 3.4Å; I107-Y322 VanDerWaalsContact CD1-CE1 3.4Å; I107-Y322 HydrophobicContact CD1-CE2 4.37Å; I107-Y322 HydrophobicContact CD1-CG 4.2Å; I107-Y322 HydrophobicContact CG1-CD1 3.56Å; I107-Y322 HydrophobicContact CG1-CE1 3.88Å; I107-Y322 HydrophobicContact CG1-CG 4.02Å; I107-Y322 HydrophobicContact CG2-CD1 4.3Å; I107-Y322 HydrophobicContact CG2-CD2 4.13Å; I107-Y322 HydrophobicContact CG2-CG 3.86Å; I107-F323 HydrophobicContact CG2-CE2 3.78Å; I107-F323 HydrophobicContact CG2-CZ 4.09Å; I107-F434 HydrophobicContact CD1-CE2 3.96Å; I107-F434 HydrophobicContact CD1-CZ 4.25Å; I107-F434 HydrophobicContact CG2-CE2 3.95Å; I107-F434 HydrophobicContact CG2-CZ 3.78Å
108	K	94	Very high	92.9	Very high	73 Å²	73	59.9 Å²	59.9	32%	0.317	33%	0.326	S	S	.	.	H	α-helix	trans	-55.3	-43.1	175	-174.6	170.9	179.5	163.7	0	111.7	K104 I111 G112 E206	K104-K108 PolarHBondContact O-N 2.96Å; K108-I111 PolarHBondContact O-N 3.29Å; K108-G112 PolarHBondContact O-N 3.1Å; K108-E206 PolarHBondContact NZ-O 3.38Å
109	K	94	Very high	93.1	Very high	130 Å²	130	56.7 Å²	56.7	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-61.2	-44.1	174.1	-176.9	-177.1	176	-176.4	0	112.3	P105 L106 I107 G112 E113	P105-K109 PolarHBondContact O-N 3.08Å; P105-K109 VanDerWaalsContact O-N 3.12Å; L106-K109 WeakPolarHBondContact O-CB 3.2Å; L106-K109 PolarHBondContact O-N 3.48Å; I107-K109 VanDerWaalsContact C-N 3.28Å; I107-K109 PolarHBondContact O-N 3.4Å; K109-G112 PolarHBondContact O-N 3.23Å; K109-E113 VanDerWaalsContact CE-OE1 3.31Å; K109-E113 WeakPolarHBondContact CE-OE1 3.18Å; K109-E113 PolarHBondContact O-N 3.01Å
110	K	93.7	Very high	93.3	Very high	42 Å²	42	61.4 Å²	61.4	18%	0.183	34%	0.335	C	S	.	.	H	α-helix	trans	-66	-35.5	179.5	-69.5	-62.9	179.4	-176.9	0	113.2	L106 I107 E113 L114 N431 F434	L106-K110 WeakPolarHBondContact O-CG 3.26Å; L106-K110 PolarHBondContact O-N 2.8Å; I107-K110 PolarHBondContact O-N 3.04Å; K110-E113 VanDerWaalsContact CD-OE2 3.28Å; K110-E113 WeakPolarHBondContact CD-OE2 3.16Å; K110-E113 IonicContact NZ-OE1 2.66Å; K110-E113 IonicContact NZ-OE2 2.76Å; K110-E113 PolarHBondContact NZ-OE2 3.38Å; K110-E113 PolarHBondContact O-N 3.46Å; K110-L114 PolarHBondContact O-N 2.91Å; K110-N431 WeakPolarHBondContact CE-O 3.3Å; K110-N431 PolarHBondContact NZ-O 3.1Å; K110-F434 HydrophobicContact CB-CD2 3.8Å; K110-F434 HydrophobicContact CB-CE2 4.1Å
111	I	94.5	Very high	93.7	Very high	1 Å²	1	59 Å²	59	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-43.7	171.6	-63.8	161.3	0	0	0	110.1	I107 K108 E113 L114 I115 V208 L312 L319 F323 F434	I107-I111 HydrophobicContact CG2-CD1 3.84Å; I107-I111 HydrophobicContact CG2-CG1 4.48Å; I107-I111 WeakPolarHBondContact O-CG1 3.43Å; I107-I111 PolarHBondContact O-N 2.93Å; K108-I111 PolarHBondContact O-N 3.29Å; I111-E113 VanDerWaalsContact C-N 3.33Å; I111-E113 PolarHBondContact O-N 3.43Å; I111-L114 WeakPolarHBondContact O-CB 3.48Å; I111-L114 PolarHBondContact O-N 2.71Å; I111-L114 VanDerWaalsContact O-N 3.16Å; I111-I115 HydrophobicContact CG2-CD1 3.83Å; I111-I115 HydrophobicContact CG2-CG1 4.32Å; I111-I115 WeakPolarHBondContact O-CG1 3.29Å; I111-I115 PolarHBondContact O-N 3.19Å; I111-V208 HydrophobicContact CD1-CB 4.19Å; I111-V208 HydrophobicContact CD1-CG1 4Å; I111-V208 HydrophobicContact CG2-CB 4.29Å; I111-L312 HydrophobicContact CG2-CD2 3.88Å; I111-L319 HydrophobicContact CD1-CD2 3.44Å; I111-L319 VanDerWaalsContact CD1-CD2 3.44Å; I111-L319 HydrophobicContact CG1-CD2 3.91Å; I111-F323 HydrophobicContact CD1-CE2 3.95Å; I111-F434 HydrophobicContact CG1-CD2 4.39Å; I111-F434 HydrophobicContact CG1-CE1 4.48Å; I111-F434 HydrophobicContact CG1-CE2 4.2Å; I111-F434 HydrophobicContact CG1-CZ 4.25Å
112	G	94.3	Very high	94	Very high	30 Å²	30	54.4 Å²	54.4	31%	0.309	29%	0.287	S	S	.	.	H	α-helix	trans	-58.4	-41.5	173.3	0	0	0	0	0	113.4	K108 K109 I115 K116	K108-G112 PolarHBondContact O-N 3.1Å; K109-G112 PolarHBondContact O-N 3.23Å; G112-I115 PolarHBondContact O-N 2.68Å; G112-K116 VanDerWaalsContact O-CB 3.31Å; G112-K116 WeakPolarHBondContact O-CB 3.43Å; G112-K116 PolarHBondContact O-N 3.15Å
113	E	94	Very high	94.3	Very high	66 Å²	66	51.8 Å²	51.8	31%	0.308	28%	0.275	S	S	.	.	H	α-helix	trans	-60.9	-42.3	173.9	-72.3	172.1	-166.2	0	0	111.8	K109 K110 I111 L117	K109-E113 VanDerWaalsContact CE-OE1 3.31Å; K109-E113 WeakPolarHBondContact CE-OE1 3.18Å; K109-E113 PolarHBondContact O-N 3.01Å; K110-E113 VanDerWaalsContact CD-OE2 3.28Å; K110-E113 WeakPolarHBondContact CD-OE2 3.16Å; K110-E113 IonicContact NZ-OE1 2.66Å; K110-E113 IonicContact NZ-OE2 2.76Å; K110-E113 PolarHBondContact NZ-OE2 3.38Å; K110-E113 PolarHBondContact O-N 3.46Å; I111-E113 VanDerWaalsContact C-N 3.33Å; I111-E113 PolarHBondContact O-N 3.43Å; E113-L117 WeakPolarHBondContact O-CB 3.08Å; E113-L117 PolarHBondContact O-N 3.38Å
114	L	95	Very high	94.5	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-63	-50.8	175.7	175.6	68.1	0	0	0	111.6	K110 I111 K116 L117 L118 F311 M315 F434 I435	K110-L114 PolarHBondContact O-N 2.91Å; I111-L114 WeakPolarHBondContact O-CB 3.48Å; I111-L114 PolarHBondContact O-N 2.71Å; I111-L114 VanDerWaalsContact O-N 3.16Å; L114-K116 VanDerWaalsContact C-N 3.29Å; L114-K116 PolarHBondContact O-N 3.1Å; L114-L117 WeakPolarHBondContact O-CB 3.45Å; L114-L117 PolarHBondContact O-N 3.34Å; L114-L117 VanDerWaalsContact O-N 3.14Å; L114-L118 HydrophobicContact CD1-CD1 3.58Å; L114-L118 HydrophobicContact CD1-CG 3.97Å; L114-L118 HydrophobicContact CG-CD1 3.95Å; L114-L118 HydrophobicContact CG-CG 4.46Å; L114-L118 WeakPolarHBondContact O-CG 3.35Å; L114-L118 PolarHBondContact O-N 3.38Å; L114-F311 HydrophobicContact CD2-CE1 3.96Å; L114-F311 HydrophobicContact CD2-CZ 4.14Å; L114-M315 HydrophobicContact CD2-CE 4Å; L114-M315 HydrophobicContact CD2-SD 3.51Å; L114-M315 VanDerWaalsContact CD2-SD 3.51Å; L114-F434 HydrophobicContact CD2-CB 4.04Å; L114-I435 HydrophobicContact CD1-CB 4.49Å; L114-I435 HydrophobicContact CD1-CG1 3.79Å
115	I	96	Very high	94.6	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-42.4	-179.5	-67.8	171.2	0	0	0	110.4	I111 G112 L117 L118 F119 W122 V308 L312	I111-I115 HydrophobicContact CG2-CD1 3.83Å; I111-I115 HydrophobicContact CG2-CG1 4.32Å; I111-I115 WeakPolarHBondContact O-CG1 3.29Å; I111-I115 PolarHBondContact O-N 3.19Å; G112-I115 PolarHBondContact O-N 2.68Å; I115-L117 VanDerWaalsContact C-N 3.31Å; I115-L117 PolarHBondContact O-N 3.12Å; I115-L118 PolarHBondContact O-N 3.4Å; I115-F119 HydrophobicContact CG2-CD2 4.26Å; I115-F119 WeakPolarHBondContact O-CA 3.3Å; I115-F119 WeakPolarHBondContact O-CB 3.27Å; I115-F119 PolarHBondContact O-N 3.22Å; I115-W122 HydrophobicContact CD1-CE3 3.85Å; I115-W122 HydrophobicContact CD1-CZ3 4.36Å; I115-W122 HydrophobicContact CG2-CB 3.44Å; I115-W122 VanDerWaalsContact CG2-CB 3.44Å; I115-W122 HydrophobicContact CG2-CG 4.42Å; I115-V308 HydrophobicContact CD1-CG1 4.36Å; I115-V308 HydrophobicContact CG2-CG1 4.24Å; I115-L312 HydrophobicContact CD1-CD1 4.04Å; I115-L312 HydrophobicContact CD1-CD2 4.13Å; I115-L312 HydrophobicContact CD1-CG 4.46Å
116	K	94.3	Very high	94.6	Very high	134 Å²	134	40.7 Å²	40.7	58%	0.583	21%	0.208	S	C	*	.	H	α-helix	trans	-62.2	-38.7	176.7	-171.9	169.4	-175.9	166.7	0	112.1	G112 L114 N120	G112-K116 VanDerWaalsContact O-CB 3.31Å; G112-K116 WeakPolarHBondContact O-CB 3.43Å; G112-K116 PolarHBondContact O-N 3.15Å; L114-K116 VanDerWaalsContact C-N 3.29Å; L114-K116 PolarHBondContact O-N 3.1Å; K116-N120 WeakPolarHBondContact O-CA 3.42Å; K116-N120 PolarHBondContact O-N 3.42Å; K116-N120 VanDerWaalsContact O-N 3.13Å
117	L	93.8	Very high	94.6	Very high	87 Å²	87	39.3 Å²	39.3	46%	0.455	20%	0.202	S	C	.	.	H	α-helix	trans	-66.7	-42.3	176.3	177.7	65.3	0	0	0	112.7	E113 L114 I115 I435	E113-L117 WeakPolarHBondContact O-CB 3.08Å; E113-L117 PolarHBondContact O-N 3.38Å; L114-L117 WeakPolarHBondContact O-CB 3.45Å; L114-L117 PolarHBondContact O-N 3.34Å; L114-L117 VanDerWaalsContact O-N 3.14Å; I115-L117 VanDerWaalsContact C-N 3.31Å; I115-L117 PolarHBondContact O-N 3.12Å; L117-I435 HydrophobicContact CD2-CD1 3.6Å; L117-I435 HydrophobicContact CD2-CG1 4.03Å; L117-I435 HydrophobicContact CD2-CG2 4.31Å
118	L	95.1	Very high	94.3	Very high	30 Å²	30	45.1 Å²	45.1	16%	0.157	23%	0.232	C	C	.	.	H	α-helix	trans	-87.9	-34.3	-171.4	-62.8	-176.5	0	0	0	113.8	L114 I115 P152 F311 Y438	L114-L118 HydrophobicContact CD1-CD1 3.58Å; L114-L118 HydrophobicContact CD1-CG 3.97Å; L114-L118 HydrophobicContact CG-CD1 3.95Å; L114-L118 HydrophobicContact CG-CG 4.46Å; L114-L118 WeakPolarHBondContact O-CG 3.35Å; L114-L118 PolarHBondContact O-N 3.38Å; I115-L118 PolarHBondContact O-N 3.4Å; L118-P152 HydrophobicContact CB-CB 4.14Å; L118-P152 HydrophobicContact CB-CG 4.12Å; L118-P152 HydrophobicContact CD1-CB 4.29Å; L118-F311 HydrophobicContact CD1-CE1 4.06Å; L118-F311 HydrophobicContact CD1-CE2 3.9Å; L118-F311 HydrophobicContact CD1-CZ 3.4Å; L118-F311 VanDerWaalsContact CD1-CZ 3.4Å; L118-Y438 HydrophobicContact CD1-CD1 4.13Å; L118-Y438 HydrophobicContact CD1-CD2 3.91Å; L118-Y438 HydrophobicContact CD1-CE1 4.14Å; L118-Y438 HydrophobicContact CD1-CE2 3.91Å; L118-Y438 HydrophobicContact CD1-CG 4Å; L118-Y438 HydrophobicContact CD2-CD1 3.88Å; L118-Y438 HydrophobicContact CD2-CE1 3.36Å; L118-Y438 HydrophobicContact CD2-CE2 4.4Å; L118-Y438 HydrophobicContact CG-CE1 4.4Å
119	F	96.2	Very high	94.2	Very high	7 Å²	7	46.8 Å²	46.8	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-122	6.4	-171	-58.5	-70.9	0	0	0	113.2	I115 G121 L149 P152 V307 V308 F311	I115-F119 HydrophobicContact CG2-CD2 4.26Å; I115-F119 WeakPolarHBondContact O-CA 3.3Å; I115-F119 WeakPolarHBondContact O-CB 3.27Å; I115-F119 PolarHBondContact O-N 3.22Å; F119-G121 PolarHBondContact O-N 3Å; F119-L149 HydrophobicContact CD1-CD1 3.77Å; F119-L149 HydrophobicContact CE1-CD1 4.25Å; F119-L149 WeakPolarHBondContact CE1-O 3.4Å; F119-P152 HydrophobicContact CD1-CG 4.28Å; F119-P152 HydrophobicContact CE1-CB 3.86Å; F119-P152 HydrophobicContact CE1-CG 3.81Å; F119-P152 HydrophobicContact CE2-CB 4.46Å; F119-P152 HydrophobicContact CZ-CB 3.73Å; F119-P152 HydrophobicContact CZ-CG 4.16Å; F119-V307 HydrophobicContact CE1-CG1 3.91Å; F119-V308 HydrophobicContact CB-CG2 4.11Å; F119-V308 HydrophobicContact CD1-CG2 4.12Å; F119-V308 HydrophobicContact CD2-CG2 3.9Å; F119-V308 HydrophobicContact CE2-CG2 4.32Å; F119-V308 HydrophobicContact CG-CG2 3.78Å; F119-F311 HydrophobicContact CE2-CB 4.15Å; F119-F311 AromaticContact CE2-CD1 3.72Å; F119-F311 HydrophobicContact CE2-CD1 3.72Å; F119-F311 HydrophobicContact CE2-CD2 4.24Å; F119-F311 HydrophobicContact CE2-CE1 4.17Å; F119-F311 AromaticContact CE2-CG 3.76Å; F119-F311 HydrophobicContact CE2-CG 3.76Å; F119-F311 HydrophobicContact CZ-CB 3.86Å; F119-F311 HydrophobicContact CZ-CD1 4.2Å; F119-F311 AromaticContact CZ-CD2 3.98Å; F119-F311 HydrophobicContact CZ-CD2 3.98Å; F119-F311 AromaticContact CZ-CG 3.74Å; F119-F311 HydrophobicContact CZ-CG 3.74Å
120	N	94.7	Very high	94.1	Very high	102 Å²	102	44.9 Å²	44.9	55%	0.545	24%	0.242	S	C	.	.	S	Bend	trans	55.7	27.5	-173.8	-69.7	-27.1	0	0	0	113.4	K116 V138	K116-N120 WeakPolarHBondContact O-CA 3.42Å; K116-N120 PolarHBondContact O-N 3.42Å; K116-N120 VanDerWaalsContact O-N 3.13Å; N120-V138 HydrophobicContact CB-CG2 3.43Å; N120-V138 VanDerWaalsContact CB-CG2 3.43Å
121	G	94.4	Very high	94	Very high	10 Å²	10	44 Å²	44	10%	0.103	24%	0.238	C	C	.	.			trans	115.4	173.8	178.7	0	0	0	0	0	113	F119 H304	F119-G121 PolarHBondContact O-N 3Å; G121-H304 PolarHBondContact O-CE1 3.42Å; G121-H304 VanDerWaalsContact O-CE1 3.29Å; G121-H304 PolarHBondContact O-NE2 3.02Å; G121-H304 VanDerWaalsContact O-NE2 3.07Å
122	W	96.6	Very high	93.9	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	26%	0.262	C	S	.	.			trans	-142.6	117	-179.4	173	42.2	0	0	0	111.1	I115 M124 S125 S126 L205 V208 A210 N305 V308 I309 L312	I115-W122 HydrophobicContact CD1-CE3 3.85Å; I115-W122 HydrophobicContact CD1-CZ3 4.36Å; I115-W122 HydrophobicContact CG2-CB 3.44Å; I115-W122 VanDerWaalsContact CG2-CB 3.44Å; I115-W122 HydrophobicContact CG2-CG 4.42Å; W122-M124 VanDerWaalsContact C-N 3.26Å; W122-M124 HydrophobicContact CD2-CB 4.16Å; W122-M124 HydrophobicContact CH2-CB 4.32Å; W122-M124 HydrophobicContact CZ2-CB 3.63Å; W122-M124 HydrophobicContact CZ2-CG 4.19Å; W122-M124 HydrophobicContact CZ2-SD 3.68Å; W122-M124 PolarHBondContact O-N 3.34Å; W122-S125 VanDerWaalsContact CE3-CB 3.43Å; W122-S125 PolarHBondContact O-N 3.06Å; W122-S125 PolarHBondContact O-OG 2.93Å; W122-S126 PolarHBondContact O-N 3.26Å; W122-S126 PolarHBondContact O-OG 2.77Å; W122-S126 VanDerWaalsContact O-OG 3.04Å; W122-L205 HydrophobicContact CH2-CB 4.06Å; W122-L205 HydrophobicContact CH2-CD2 4.03Å; W122-L205 HydrophobicContact CH2-CG 4.48Å; W122-L205 HydrophobicContact CZ2-CD1 4.4Å; W122-L205 HydrophobicContact CZ2-CD2 4.21Å; W122-V208 HydrophobicContact CH2-CG2 4.5Å; W122-A210 HydrophobicContact CH2-CB 3.82Å; W122-A210 HydrophobicContact CZ2-CB 4.42Å; W122-A210 HydrophobicContact CZ3-CB 4.36Å; W122-N305 VanDerWaalsContact CD1-OD1 3.27Å; W122-N305 PolarHBondContact NE1-OD1 2.97Å; W122-V308 HydrophobicContact CB-CG1 4.19Å; W122-V308 HydrophobicContact CD2-CG1 3.88Å; W122-V308 HydrophobicContact CG-CB 4.35Å; W122-V308 HydrophobicContact CG-CG1 3.71Å; W122-I309 HydrophobicContact CZ2-CG1 4.4Å; W122-L312 HydrophobicContact CH2-CD1 4.15Å; W122-L312 HydrophobicContact CZ3-CD1 4.21Å
123	L	96.4	Very high	93.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-52.5	-42.7	-172.8	-68.6	175.2	0	0	0	112.7	S125 S126 Q131 V134 E135 L139 N214 M217 K301	L123-S125 VanDerWaalsContact C-N 3.26Å; L123-S125 PolarHBondContact O-N 3.45Å; L123-S126 PolarHBondContact O-N 3.34Å; L123-S126 VanDerWaalsContact O-N 3.17Å; L123-Q131 HydrophobicContact CD2-CB 4.15Å; L123-Q131 HydrophobicContact CD2-CG 4.11Å; L123-Q131 PolarHBondContact O-NE2 3.42Å; L123-V134 HydrophobicContact CD2-CB 3.94Å; L123-V134 HydrophobicContact CD2-CG1 3.78Å; L123-V134 HydrophobicContact CG-CG1 4.09Å; L123-E135 HydrophobicContact CD2-CG 4.06Å; L123-L139 HydrophobicContact CD1-CD1 3.56Å; L123-L139 HydrophobicContact CD2-CD1 4.29Å; L123-L139 HydrophobicContact CG-CD1 4.11Å; L123-N214 PolarHBondContact O-ND2 3.49Å; L123-M217 HydrophobicContact CB-CE 4.31Å; L123-M217 HydrophobicContact CB-SD 3.82Å; L123-K301 HydrophobicContact CD1-CB 3.81Å; L123-K301 HydrophobicContact CD1-CD 4.33Å; L123-K301 HydrophobicContact CD1-CG 3.73Å
124	M	95.2	Very high	93.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-67.2	-26.3	-179	-63.4	173.3	169.7	0	0	113.3	W122 L205 A210 L211 N214 M217 M218 V221 N305 I309	W122-M124 VanDerWaalsContact C-N 3.26Å; W122-M124 HydrophobicContact CD2-CB 4.16Å; W122-M124 HydrophobicContact CH2-CB 4.32Å; W122-M124 HydrophobicContact CZ2-CB 3.63Å; W122-M124 HydrophobicContact CZ2-CG 4.19Å; W122-M124 HydrophobicContact CZ2-SD 3.68Å; W122-M124 PolarHBondContact O-N 3.34Å; M124-L205 HydrophobicContact SD-CD1 4.36Å; M124-A210 HydrophobicContact CB-CB 4.25Å; M124-A210 WeakPolarHBondContact O-CA 2.96Å; M124-L211 PolarHBondContact O-N 3.45Å; M124-N214 HydrophobicContact CB-CB 4.49Å; M124-N214 PolarHBondContact O-ND2 3.14Å; M124-M217 HydrophobicContact CE-CB 3.8Å; M124-M217 HydrophobicContact CG-CB 4.27Å; M124-M217 HydrophobicContact CG-SD 4.12Å; M124-M218 HydrophobicContact CE-CG 3.94Å; M124-M218 HydrophobicContact CE-SD 3.29Å; M124-M218 WeakPolarHBondContact CE-SD 3.01Å; M124-M218 HydrophobicContact SD-SD 3.94Å; M124-V221 HydrophobicContact CE-CG2 3.98Å; M124-N305 HydrophobicContact CE-CB 3.79Å; M124-N305 HydrophobicContact SD-CB 4.37Å; M124-I309 HydrophobicContact CE-CD1 4.04Å; M124-I309 HydrophobicContact SD-CD1 3.97Å
125	S	94.8	Very high	93.7	Very high	32 Å²	32	50.1 Å²	50.1	22%	0.224	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-90.9	-14.4	174.3	63.8	0	0	0	0	114.3	W122 L123 G209	W122-S125 VanDerWaalsContact CE3-CB 3.43Å; W122-S125 PolarHBondContact O-N 3.06Å; W122-S125 PolarHBondContact O-OG 2.93Å; L123-S125 VanDerWaalsContact C-N 3.26Å; L123-S125 PolarHBondContact O-N 3.45Å; S125-G209 WeakPolarHBondContact CB-O 3.32Å
126	S	93.1	Very high	93.6	Very high	7 Å²	7	56.2 Å²	56.2	5%	0.049	29%	0.293	C	S	.	.			trans	-83.2	140.2	-174.6	-70.6	0	0	0	0	111.4	W122 L123 Q131 N214	W122-S126 PolarHBondContact O-N 3.26Å; W122-S126 PolarHBondContact O-OG 2.77Å; W122-S126 VanDerWaalsContact O-OG 3.04Å; L123-S126 PolarHBondContact O-N 3.34Å; L123-S126 VanDerWaalsContact O-N 3.17Å; S126-Q131 PolarHBondContact O-NE2 3.02Å; S126-N214 PolarHBondContact O-ND2 3.41Å
127	N	92.5	Very high	93.5	Very high	71 Å²	71	54.2 Å²	54.2	38%	0.38	29%	0.289	S	S	.	.			trans	-72.6	171.8	162.4	67.3	52.5	0	0	0	111.2	T129 E130 Q131	N127-T129 PolarHBondContact O-N 3.15Å; N127-T129 VanDerWaalsContact O-N 3.12Å; N127-T129 WeakPolarHBondContact OD1-CB 3.31Å; N127-T129 PolarHBondContact OD1-N 3.29Å; N127-E130 PolarHBondContact N-OE2 3.27Å; N127-E130 VanDerWaalsContact N-OE2 3.13Å; N127-E130 VanDerWaalsContact ND2-CD 3.33Å; N127-E130 PolarHBondContact ND2-OE2 3.18Å; N127-E130 CarbonylContact O-C 3.52Å; N127-E130 PolarHBondContact O-N 3.03Å; N127-E130 PolarHBondContact OD1-N 3.33Å; N127-Q131 WeakPolarHBondContact O-CG 3.43Å; N127-Q131 PolarHBondContact O-N 3.2Å
128	D	88.9	Confident	93.5	Very high	121 Å²	121	51.1 Å²	51.1	65%	0.647	27%	0.273	S	S	*	.	H	α-helix	trans	-52.3	-38.8	-176.6	-59	-10	0	0	0	114	L132	D128-L132 WeakPolarHBondContact O-CG 2.98Å; D128-L132 PolarHBondContact O-N 3.49Å
129	T	90.7	Very high	93.5	Very high	109 Å²	109	50 Å²	50	67%	0.669	27%	0.267	S	S	*	.	H	α-helix	trans	-71.9	-41.7	179.8	-55.3	0	0	0	0	111.5	N127 Q131 L132 D133	N127-T129 PolarHBondContact O-N 3.15Å; N127-T129 VanDerWaalsContact O-N 3.12Å; N127-T129 WeakPolarHBondContact OD1-CB 3.31Å; N127-T129 PolarHBondContact OD1-N 3.29Å; T129-Q131 VanDerWaalsContact C-N 3.34Å; T129-L132 PolarHBondContact O-N 3.42Å; T129-D133 PolarHBondContact O-N 3.07Å
130	E	91.5	Very high	93.5	Very high	89 Å²	89	51.3 Å²	51.3	42%	0.416	28%	0.278	S	S	.	.	H	α-helix	trans	-70.4	-31.2	176.5	-68.5	171.4	150.6	0	0	112	N127 D133 V134	N127-E130 PolarHBondContact N-OE2 3.27Å; N127-E130 VanDerWaalsContact N-OE2 3.13Å; N127-E130 VanDerWaalsContact ND2-CD 3.33Å; N127-E130 PolarHBondContact ND2-OE2 3.18Å; N127-E130 CarbonylContact O-C 3.52Å; N127-E130 PolarHBondContact O-N 3.03Å; N127-E130 PolarHBondContact OD1-N 3.33Å; E130-D133 WeakPolarHBondContact O-CB 3.37Å; E130-D133 PolarHBondContact O-N 2.78Å; E130-V134 WeakPolarHBondContact O-CG2 3.47Å; E130-V134 PolarHBondContact O-N 3.4Å
131	Q	91.5	Very high	93.3	Very high	23 Å²	23	50.7 Å²	50.7	11%	0.107	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-44.9	173.9	-74.4	-178.9	24.9	0	0	110.8	L123 S126 N127 T129 D133 V134 E135 N214	L123-Q131 HydrophobicContact CD2-CB 4.15Å; L123-Q131 HydrophobicContact CD2-CG 4.11Å; L123-Q131 PolarHBondContact O-NE2 3.42Å; S126-Q131 PolarHBondContact O-NE2 3.02Å; N127-Q131 WeakPolarHBondContact O-CG 3.43Å; N127-Q131 PolarHBondContact O-N 3.2Å; T129-Q131 VanDerWaalsContact C-N 3.34Å; Q131-D133 PolarHBondContact O-N 2.92Å; Q131-V134 PolarHBondContact O-N 3.48Å; Q131-E135 WeakPolarHBondContact O-CB 3.4Å; Q131-E135 VanDerWaalsContact O-CG 3.28Å; Q131-E135 WeakPolarHBondContact O-CG 3.22Å; Q131-E135 PolarHBondContact O-N 3.06Å; Q131-N214 VanDerWaalsContact NE2-CG 3.29Å; Q131-N214 PolarHBondContact NE2-ND2 3.2Å; Q131-N214 VanDerWaalsContact NE2-ND2 3.18Å; Q131-N214 PolarHBondContact NE2-OD1 2.91Å
132	L	92.4	Very high	93.2	Very high	96 Å²	96	58.7 Å²	58.7	50%	0.503	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-39	174.9	-70.5	171.4	0	0	0	112	D128 T129 E135 Q136	D128-L132 WeakPolarHBondContact O-CG 2.98Å; D128-L132 PolarHBondContact O-N 3.49Å; T129-L132 PolarHBondContact O-N 3.42Å; L132-E135 PolarHBondContact O-N 2.91Å; L132-Q136 WeakPolarHBondContact O-CB 3.31Å; L132-Q136 VanDerWaalsContact O-CG 3.26Å; L132-Q136 WeakPolarHBondContact O-CG 3.45Å; L132-Q136 PolarHBondContact O-N 3.47Å
133	D	92.5	Very high	93.1	Very high	80 Å²	80	65.2 Å²	65.2	43%	0.428	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-47	176.9	-170.3	62.6	0	0	0	112	T129 E130 Q131 E135 Q136 N137	T129-D133 PolarHBondContact O-N 3.07Å; E130-D133 WeakPolarHBondContact O-CB 3.37Å; E130-D133 PolarHBondContact O-N 2.78Å; Q131-D133 PolarHBondContact O-N 2.92Å; D133-E135 PolarHBondContact O-N 2.89Å; D133-Q136 PolarHBondContact O-N 2.58Å; D133-N137 VanDerWaalsContact O-CB 3.28Å; D133-N137 WeakPolarHBondContact O-CB 3.44Å; D133-N137 PolarHBondContact O-N 3.47Å; D133-N137 PolarHBondContact O-ND2 3.12Å; D133-N137 PolarHBondContact OD1-ND2 2.93Å
134	V	93.6	Very high	93.1	Very high	3 Å²	3	66.5 Å²	66.5	2%	0.018	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-44.1	175.2	175.1	0	0	0	0	110.7	L123 E130 Q131 Q136 V138 L139	L123-V134 HydrophobicContact CD2-CB 3.94Å; L123-V134 HydrophobicContact CD2-CG1 3.78Å; L123-V134 HydrophobicContact CG-CG1 4.09Å; E130-V134 WeakPolarHBondContact O-CG2 3.47Å; E130-V134 PolarHBondContact O-N 3.4Å; Q131-V134 PolarHBondContact O-N 3.48Å; V134-Q136 PolarHBondContact O-N 2.98Å; V134-V138 HydrophobicContact CG1-CB 4.35Å; V134-V138 HydrophobicContact CG1-CG2 4.35Å; V134-V138 WeakPolarHBondContact O-CA 3.36Å; V134-V138 WeakPolarHBondContact O-CB 3.45Å; V134-V138 PolarHBondContact O-N 3.18Å; V134-L139 HydrophobicContact CG1-CD1 4.13Å; V134-L139 HydrophobicContact CG1-CG 4.29Å; V134-L139 PolarHBondContact O-N 3Å; V134-L139 VanDerWaalsContact O-N 3.16Å
135	E	94.4	Very high	93.1	Very high	49 Å²	49	69 Å²	69	23%	0.229	37%	0.367	C	S	.	.	H	α-helix	trans	-62.5	-43.5	179.8	-74.9	-178.2	-164.3	0	0	112.1	L123 Q131 L132 D133 L139 S140 K301	L123-E135 HydrophobicContact CD2-CG 4.06Å; Q131-E135 WeakPolarHBondContact O-CB 3.4Å; Q131-E135 VanDerWaalsContact O-CG 3.28Å; Q131-E135 WeakPolarHBondContact O-CG 3.22Å; Q131-E135 PolarHBondContact O-N 3.06Å; L132-E135 PolarHBondContact O-N 2.91Å; D133-E135 PolarHBondContact O-N 2.89Å; E135-L139 HydrophobicContact CG-CD1 4.43Å; E135-L139 CarbonylContact O-C 3.58Å; E135-L139 VanDerWaalsContact O-C 3.26Å; E135-L139 PolarHBondContact O-N 3.25Å; E135-S140 PolarHBondContact O-N 3.46Å; E135-K301 WeakPolarHBondContact OE1-CE 3.47Å; E135-K301 IonicContact OE1-NZ 3.89Å; E135-K301 PolarHBondContact OE1-NZ 3.18Å; E135-K301 IonicContact OE2-NZ 2.87Å; E135-K301 PolarHBondContact OE2-NZ 3.19Å; E135-K301 VanDerWaalsContact OE2-NZ 3.08Å
136	Q	93.3	Very high	93.2	Very high	129 Å²	129	67.6 Å²	67.6	60%	0.603	36%	0.357	S	S	*	.	H	α-helix	trans	-73.6	-44.9	-179.6	-71.5	176.8	1.4	0	0	112.6	L132 D133 V134 S140	L132-Q136 WeakPolarHBondContact O-CB 3.31Å; L132-Q136 VanDerWaalsContact O-CG 3.26Å; L132-Q136 WeakPolarHBondContact O-CG 3.45Å; L132-Q136 PolarHBondContact O-N 3.47Å; D133-Q136 PolarHBondContact O-N 2.58Å; V134-Q136 PolarHBondContact O-N 2.98Å; Q136-S140 WeakPolarHBondContact O-CB 3.46Å; Q136-S140 PolarHBondContact O-OG 2.87Å
137	N	92.2	Very high	93.4	Very high	93 Å²	93	67.4 Å²	67.4	50%	0.497	36%	0.356	S	S	.	.	H	α-helix	trans	-88.8	-21.4	-170.5	-65.5	-39.1	0	0	0	114.1	D133	D133-N137 VanDerWaalsContact O-CB 3.28Å; D133-N137 WeakPolarHBondContact O-CB 3.44Å; D133-N137 PolarHBondContact O-N 3.47Å; D133-N137 PolarHBondContact O-ND2 3.12Å; D133-N137 PolarHBondContact OD1-ND2 2.93Å
138	V	93	Very high	93.6	Very high	22 Å²	22	66.7 Å²	66.7	13%	0.133	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-43.5	-174.2	-167.9	0	0	0	0	111.8	N120 V134 F144	N120-V138 HydrophobicContact CB-CG2 3.43Å; N120-V138 VanDerWaalsContact CB-CG2 3.43Å; V134-V138 HydrophobicContact CG1-CB 4.35Å; V134-V138 HydrophobicContact CG1-CG2 4.35Å; V134-V138 WeakPolarHBondContact O-CA 3.36Å; V134-V138 WeakPolarHBondContact O-CB 3.45Å; V134-V138 PolarHBondContact O-N 3.18Å; V138-F144 VanDerWaalsContact O-CA 3.27Å; V138-F144 WeakPolarHBondContact O-CA 3.41Å; V138-F144 PolarHBondContact O-N 3.44Å
139	L	96	Very high	93.9	Very high	6 Å²	6	61.6 Å²	61.6	3%	0.031	33%	0.332	C	S	.	.	S	Bend	trans	-105.1	2.6	-168.9	-48.5	177.8	0	0	0	114.2	L123 V134 E135 F144 R300 K301 H304	L123-L139 HydrophobicContact CD1-CD1 3.56Å; L123-L139 HydrophobicContact CD2-CD1 4.29Å; L123-L139 HydrophobicContact CG-CD1 4.11Å; V134-L139 HydrophobicContact CG1-CD1 4.13Å; V134-L139 HydrophobicContact CG1-CG 4.29Å; V134-L139 PolarHBondContact O-N 3Å; V134-L139 VanDerWaalsContact O-N 3.16Å; E135-L139 HydrophobicContact CG-CD1 4.43Å; E135-L139 CarbonylContact O-C 3.58Å; E135-L139 VanDerWaalsContact O-C 3.26Å; E135-L139 PolarHBondContact O-N 3.25Å; L139-F144 HydrophobicContact CD2-CD2 3.93Å; L139-F144 HydrophobicContact CD2-CE2 4.09Å; L139-R300 PolarHBondContact O-NE 3.08Å; L139-R300 PolarHBondContact O-NH2 3.15Å; L139-R300 VanDerWaalsContact O-NH2 3.14Å; L139-K301 HydrophobicContact CD1-CG 3.95Å; L139-H304 HydrophobicContact CD1-CB 4.43Å; L139-H304 HydrophobicContact CD2-CB 3.72Å
140	S	95.2	Very high	94.2	Very high	35 Å²	35	56.4 Å²	56.4	25%	0.245	30%	0.3	C	S	.	.	S	Bend	trans	-66.8	144.6	170.7	60.9	0	0	0	0	109.2	E135 Q136 E142 K143 F144	E135-S140 PolarHBondContact O-N 3.46Å; Q136-S140 WeakPolarHBondContact O-CB 3.46Å; Q136-S140 PolarHBondContact O-OG 2.87Å; S140-E142 PolarHBondContact O-N 3.16Å; S140-E142 VanDerWaalsContact O-N 3.1Å; S140-K143 PolarHBondContact O-N 2.93Å; S140-K143 WeakPolarHBondContact OG-CB 3.1Å; S140-K143 VanDerWaalsContact OG-CG 3.24Å; S140-K143 WeakPolarHBondContact OG-CG 3.4Å; S140-F144 WeakPolarHBondContact O-CB 3.38Å; S140-F144 PolarHBondContact O-N 3.33Å
141	S	92	Very high	94.4	Very high	89 Å²	89	53.2 Å²	53.2	62%	0.622	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.5	-175.5	52.9	0	0	0	0	113.3
142	E	92.4	Very high	94.6	Very high	177 Å²	177	52.5 Å²	52.5	83%	0.827	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-23.2	179.1	-61	-178.7	-178.7	0	0	114.1	S140	S140-E142 PolarHBondContact O-N 3.16Å; S140-E142 VanDerWaalsContact O-N 3.1Å
143	K	93.2	Very high	94.8	Very high	138 Å²	138	48 Å²	48	60%	0.6	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-23.6	-176.2	-61.6	-62.2	-176.3	-175.9	0	113.3	S140 S145	S140-K143 PolarHBondContact O-N 2.93Å; S140-K143 WeakPolarHBondContact OG-CB 3.1Å; S140-K143 VanDerWaalsContact OG-CG 3.24Å; S140-K143 WeakPolarHBondContact OG-CG 3.4Å; K143-S145 PolarHBondContact O-N 2.93Å
144	F	95.9	Very high	94.9	Very high	27 Å²	27	44.1 Å²	44.1	12%	0.118	24%	0.239	C	C	.	.			trans	-63.9	122.9	-176.4	-176.7	-93.7	0	0	0	111.4	V138 L139 S140 L146 L149 V294 R300 I303	V138-F144 VanDerWaalsContact O-CA 3.27Å; V138-F144 WeakPolarHBondContact O-CA 3.41Å; V138-F144 PolarHBondContact O-N 3.44Å; L139-F144 HydrophobicContact CD2-CD2 3.93Å; L139-F144 HydrophobicContact CD2-CE2 4.09Å; S140-F144 WeakPolarHBondContact O-CB 3.38Å; S140-F144 PolarHBondContact O-N 3.33Å; F144-L146 HydrophobicContact CE1-CB 4.04Å; F144-L146 HydrophobicContact CZ-CD1 4.48Å; F144-L149 HydrophobicContact CE2-CD2 4.03Å; F144-L149 HydrophobicContact CZ-CD2 4.17Å; F144-V294 HydrophobicContact CD1-CG1 3.8Å; F144-V294 HydrophobicContact CE1-CB 4.32Å; F144-V294 HydrophobicContact CE1-CG1 3.77Å; F144-V294 HydrophobicContact CE1-CG2 3.67Å; F144-V294 HydrophobicContact CZ-CG2 4.31Å; F144-R300 HydrophobicContact CD1-CG 4.19Å; F144-R300 HydrophobicContact CD2-CB 4.07Å; F144-R300 HydrophobicContact CD2-CG 4.07Å; F144-R300 HydrophobicContact CE1-CG 4.27Å; F144-R300 HydrophobicContact CE2-CB 3.99Å; F144-R300 HydrophobicContact CE2-CG 4.13Å; F144-R300 VanDerWaalsContact CG-CD 3.41Å; F144-R300 HydrophobicContact CG-CG 4.09Å; F144-R300 HydrophobicContact CZ-CB 4.45Å; F144-R300 HydrophobicContact CZ-CG 4.22Å; F144-I303 HydrophobicContact CZ-CG2 4.32Å
145	S	96.1	Very high	94.7	Very high	52 Å²	52	44.8 Å²	44.8	36%	0.364	24%	0.242	S	C	.	.			trans	-128.3	110.3	173	176.8	0	0	0	0	109.1	K143 T147 A148 L149	K143-S145 PolarHBondContact O-N 2.93Å; S145-T147 PolarHBondContact O-N 2.65Å; S145-A148 PolarHBondContact O-N 3.19Å; S145-A148 PolarHBondContact OG-N 3.44Å; S145-L149 WeakPolarHBondContact O-CB 3.44Å; S145-L149 PolarHBondContact O-N 2.92Å
146	L	96.6	Very high	94.5	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-39.6	175.8	-177.9	58.5	0	0	0	110.9	F144 L149 L150 L162 I254 I255 L290 I303	F144-L146 HydrophobicContact CE1-CB 4.04Å; F144-L146 HydrophobicContact CZ-CD1 4.48Å; L146-L149 HydrophobicContact CD1-CD2 4.48Å; L146-L149 PolarHBondContact O-N 2.88Å; L146-L150 HydrophobicContact CD1-CD1 3.97Å; L146-L150 HydrophobicContact CD1-CD2 4.49Å; L146-L150 HydrophobicContact CD1-CG 4.03Å; L146-L150 HydrophobicContact CG-CD1 3.82Å; L146-L150 HydrophobicContact CG-CG 4.32Å; L146-L150 VanDerWaalsContact O-CG 3.24Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 2.98Å; L146-L162 HydrophobicContact CD1-CD1 4.01Å; L146-I254 HydrophobicContact CD2-CD1 3.71Å; L146-I254 HydrophobicContact CD2-CG1 4.18Å; L146-I255 HydrophobicContact CD2-CG1 4.04Å; L146-I255 HydrophobicContact CG-CG1 4.46Å; L146-L290 HydrophobicContact CD2-CD1 4.3Å; L146-I303 HydrophobicContact CD1-CG2 3.74Å
147	T	96.8	Very high	94.1	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-50.8	174.9	-59.5	0	0	0	0	111.9	S145 L149 L150 L151 I255 N256 V259 L260	S145-T147 PolarHBondContact O-N 2.65Å; T147-L149 VanDerWaalsContact C-N 3.28Å; T147-L149 PolarHBondContact O-N 3.36Å; T147-L150 PolarHBondContact O-N 3.42Å; T147-L151 WeakPolarHBondContact O-CG 3.03Å; T147-L151 PolarHBondContact O-N 2.97Å; T147-I255 WeakPolarHBondContact OG1-CA 3.21Å; T147-N256 HydrophobicContact CG2-CB 4.45Å; T147-N256 PolarHBondContact OG1-N 3.44Å; T147-V259 HydrophobicContact CG2-CB 4.34Å; T147-V259 HydrophobicContact CG2-CG1 4.05Å; T147-L260 HydrophobicContact CG2-CB 4.02Å
148	A	96.4	Very high	94	Very high	55 Å²	55	35.6 Å²	35.6	46%	0.455	20%	0.201	S	C	.	.	H	α-helix	trans	-61.9	-38.9	-179.8	0	0	0	0	0	112	S145 L150 P152	S145-A148 PolarHBondContact O-N 3.19Å; S145-A148 PolarHBondContact OG-N 3.44Å; A148-L150 VanDerWaalsContact C-N 3.34Å; A148-L150 PolarHBondContact O-N 3.36Å; A148-P152 WeakPolarHBondContact O-CD 3.4Å
149	L	97	Very high	94	Very high	14 Å²	14	36.5 Å²	36.5	7%	0.073	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-35.5	177.5	178	59.2	0	0	0	112.8	F119 F144 S145 L146 T147 P152 I303 H304 V307	F119-L149 HydrophobicContact CD1-CD1 3.77Å; F119-L149 HydrophobicContact CE1-CD1 4.25Å; F119-L149 WeakPolarHBondContact CE1-O 3.4Å; F144-L149 HydrophobicContact CE2-CD2 4.03Å; F144-L149 HydrophobicContact CZ-CD2 4.17Å; S145-L149 WeakPolarHBondContact O-CB 3.44Å; S145-L149 PolarHBondContact O-N 2.92Å; L146-L149 HydrophobicContact CD1-CD2 4.48Å; L146-L149 PolarHBondContact O-N 2.88Å; T147-L149 VanDerWaalsContact C-N 3.28Å; T147-L149 PolarHBondContact O-N 3.36Å; L149-P152 WeakPolarHBondContact O-CD 3.41Å; L149-I303 HydrophobicContact CD2-CG2 3.84Å; L149-H304 HydrophobicContact CD2-CB 4.43Å; L149-V307 HydrophobicContact CD1-CB 4.27Å; L149-V307 HydrophobicContact CD1-CG1 4.07Å; L149-V307 HydrophobicContact CD2-CB 4.44Å; L149-V307 HydrophobicContact CD2-CG2 4.22Å; L149-V307 HydrophobicContact CG-CB 4.15Å; L149-V307 HydrophobicContact CG-CG1 4.03Å; L149-V307 HydrophobicContact CG-CG2 4.19Å; L149-V307 WeakPolarHBondContact O-CG1 3.43Å
150	L	97.2	Very high	94	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-84.2	-22.7	-177.5	-66.6	171.4	0	0	0	114.1	L146 T147 A148 S153 L154 T160 L162 F163 V307	L146-L150 HydrophobicContact CD1-CD1 3.97Å; L146-L150 HydrophobicContact CD1-CD2 4.49Å; L146-L150 HydrophobicContact CD1-CG 4.03Å; L146-L150 HydrophobicContact CG-CD1 3.82Å; L146-L150 HydrophobicContact CG-CG 4.32Å; L146-L150 VanDerWaalsContact O-CG 3.24Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 2.98Å; T147-L150 PolarHBondContact O-N 3.42Å; A148-L150 VanDerWaalsContact C-N 3.34Å; A148-L150 PolarHBondContact O-N 3.36Å; L150-S153 PolarHBondContact O-N 3.33Å; L150-S153 VanDerWaalsContact O-N 3.16Å; L150-L154 HydrophobicContact CB-CD1 4.18Å; L150-L154 WeakPolarHBondContact O-CG 3.35Å; L150-L154 PolarHBondContact O-N 3.09Å; L150-T160 HydrophobicContact CD2-CG2 4.05Å; L150-L162 HydrophobicContact CD1-CD1 4.15Å; L150-L162 HydrophobicContact CD2-CD1 3.8Å; L150-L162 HydrophobicContact CD2-CG 4.31Å; L150-L162 HydrophobicContact CG-CD1 4.49Å; L150-F163 HydrophobicContact CD1-CE1 3.57Å; L150-F163 HydrophobicContact CD1-CZ 3.97Å; L150-V307 HydrophobicContact CD2-CG1 4.4Å; L150-V307 HydrophobicContact CD2-CG2 3.72Å
151	L	95.6	Very high	94	Very high	23 Å²	23	34.6 Å²	34.6	12%	0.12	19%	0.194	C	C	.	.	H	α-helix	trans	-53.6	-44.5	-176.5	-80.5	175.4	0	0	0	113.5	T147 S153 L154 F155 N263 V264	T147-L151 WeakPolarHBondContact O-CG 3.03Å; T147-L151 PolarHBondContact O-N 2.97Å; L151-S153 PolarHBondContact O-N 2.77Å; L151-L154 PolarHBondContact O-N 3.49Å; L151-F155 HydrophobicContact CB-CD2 4.39Å; L151-F155 HydrophobicContact CB-CE2 3.99Å; L151-F155 HydrophobicContact CB-CZ 4.44Å; L151-F155 HydrophobicContact CD2-CE1 4.38Å; L151-F155 HydrophobicContact CD2-CE2 4.42Å; L151-F155 HydrophobicContact CD2-CZ 4.02Å; L151-F155 WeakPolarHBondContact O-CB 3.43Å; L151-F155 WeakPolarHBondContact O-CD2 3.44Å; L151-F155 VanDerWaalsContact O-CG 3.22Å; L151-F155 WeakPolarHBondContact O-CG 3.41Å; L151-F155 PolarHBondContact O-N 3.43Å; L151-N263 HydrophobicContact CD2-CB 3.72Å; L151-V264 HydrophobicContact CD2-CG2 4.31Å
152	P	95.7	Very high	94.1	Very high	8 Å²	8	30.6 Å²	30.6	5%	0.052	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-45.3	177.1	-25.6	34.8	0	0	0	113.7	L118 F119 A148 L149 F155 Q156 Y438	L118-P152 HydrophobicContact CB-CB 4.14Å; L118-P152 HydrophobicContact CB-CG 4.12Å; L118-P152 HydrophobicContact CD1-CB 4.29Å; F119-P152 HydrophobicContact CD1-CG 4.28Å; F119-P152 HydrophobicContact CE1-CB 3.86Å; F119-P152 HydrophobicContact CE1-CG 3.81Å; F119-P152 HydrophobicContact CE2-CB 4.46Å; F119-P152 HydrophobicContact CZ-CB 3.73Å; F119-P152 HydrophobicContact CZ-CG 4.16Å; A148-P152 WeakPolarHBondContact O-CD 3.4Å; L149-P152 WeakPolarHBondContact O-CD 3.41Å; P152-F155 PolarHBondContact O-N 3.1Å; P152-Q156 PolarHBondContact O-N 2.87Å; P152-Y438 WeakPolarHBondContact CA-OH 3.34Å; P152-Y438 HydrophobicContact CB-CE2 4.4Å; P152-Y438 WeakPolarHBondContact O-CE2 3.39Å
153	S	95.8	Very high	94.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.8	-36.2	177.6	-53.3	0	0	0	0	112.1	L150 L151 Q156 S157	L150-S153 PolarHBondContact O-N 3.33Å; L150-S153 VanDerWaalsContact O-N 3.16Å; L151-S153 PolarHBondContact O-N 2.77Å; S153-Q156 WeakPolarHBondContact O-CB 3.44Å; S153-Q156 PolarHBondContact O-N 3.41Å; S153-S157 PolarHBondContact O-N 3.05Å
154	L	93.9	Very high	94.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.7	-36.4	175.5	-69.6	171.6	0	0	0	112.5	L150 L151 Q156 R158 T160 F163 L165 L260 V264	L150-L154 HydrophobicContact CB-CD1 4.18Å; L150-L154 WeakPolarHBondContact O-CG 3.35Å; L150-L154 PolarHBondContact O-N 3.09Å; L151-L154 PolarHBondContact O-N 3.49Å; L154-Q156 PolarHBondContact O-N 3.06Å; L154-R158 VanDerWaalsContact O-CA 3.29Å; L154-R158 WeakPolarHBondContact O-CA 2.91Å; L154-R158 PolarHBondContact O-N 3.24Å; L154-T160 HydrophobicContact CD2-CG2 3.65Å; L154-T160 HydrophobicContact CG-CG2 3.78Å; L154-F163 HydrophobicContact CD1-CE2 4.36Å; L154-F163 HydrophobicContact CD1-CZ 4.27Å; L154-F163 HydrophobicContact CD2-CE2 4.13Å; L154-L165 HydrophobicContact CD2-CD1 4.09Å; L154-L165 HydrophobicContact CD2-CG 4.46Å; L154-L260 HydrophobicContact CD1-CD1 3.68Å; L154-L260 HydrophobicContact CD1-CD2 4.38Å; L154-L260 HydrophobicContact CD1-CG 3.91Å; L154-V264 HydrophobicContact CB-CG2 3.95Å; L154-V264 HydrophobicContact CD1-CG2 4.21Å
155	F	90.9	Very high	94	Very high	16 Å²	16	15 Å²	15	7%	0.07	10%	0.096	C	C	.	.	H	α-helix	trans	-68.8	-23.6	171.6	-67.9	-33.9	0	0	0	112.6	L151 P152 N263 Y438 Q441 K442 T445	L151-F155 HydrophobicContact CB-CD2 4.39Å; L151-F155 HydrophobicContact CB-CE2 3.99Å; L151-F155 HydrophobicContact CB-CZ 4.44Å; L151-F155 HydrophobicContact CD2-CE1 4.38Å; L151-F155 HydrophobicContact CD2-CE2 4.42Å; L151-F155 HydrophobicContact CD2-CZ 4.02Å; L151-F155 WeakPolarHBondContact O-CB 3.43Å; L151-F155 WeakPolarHBondContact O-CD2 3.44Å; L151-F155 VanDerWaalsContact O-CG 3.22Å; L151-F155 WeakPolarHBondContact O-CG 3.41Å; L151-F155 PolarHBondContact O-N 3.43Å; P152-F155 PolarHBondContact O-N 3.1Å; F155-N263 HydrophobicContact CE1-CB 4.12Å; F155-N263 WeakPolarHBondContact CE1-O 3.14Å; F155-N263 HydrophobicContact CZ-CB 3.89Å; F155-Y438 HydrophobicContact CB-CE2 4.34Å; F155-Y438 WeakPolarHBondContact CD2-OH 3.14Å; F155-Q441 CarbonylContact O-C 3.59Å; F155-K442 HydrophobicContact CB-CB 4.06Å; F155-K442 HydrophobicContact CB-CD 4.37Å; F155-K442 HydrophobicContact CB-CG 3.89Å; F155-K442 HydrophobicContact CD1-CG 4.31Å; F155-K442 HydrophobicContact CD2-CD 4.11Å; F155-K442 HydrophobicContact CD2-CG 4.41Å; F155-K442 HydrophobicContact CG-CD 4.18Å; F155-K442 HydrophobicContact CG-CG 3.97Å; F155-K442 VanDerWaalsContact O-CA 3.26Å; F155-K442 WeakPolarHBondContact O-CA 3.09Å; F155-K442 PolarHBondContact O-N 3.02Å; F155-T445 WeakPolarHBondContact O-CB 3.47Å; F155-T445 WeakPolarHBondContact O-CG2 3.24Å; F155-T445 PolarHBondContact O-OG1 3.36Å
156	Q	88.8	Confident	93.6	Very high	9 Å²	9	18 Å²	18	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-75.2	-47.6	177.4	-166.1	-176.2	11.6	0	0	112.6	P152 S153 L154 F311 K314 T445	P152-Q156 PolarHBondContact O-N 2.87Å; S153-Q156 WeakPolarHBondContact O-CB 3.44Å; S153-Q156 PolarHBondContact O-N 3.41Å; L154-Q156 PolarHBondContact O-N 3.06Å; Q156-F311 HydrophobicContact CB-CE2 4.48Å; Q156-F311 VanDerWaalsContact OE1-CD2 3.29Å; Q156-F311 PolarHBondContact OE1-O 2.8Å; Q156-K314 VanDerWaalsContact NE2-C 3.27Å; Q156-K314 PolarHBondContact NE2-O 2.53Å; Q156-T445 VanDerWaalsContact O-CG2 3.3Å; Q156-T445 WeakPolarHBondContact O-CG2 3.48Å
157	S	85.9	Confident	92.8	Very high	50 Å²	50	19.6 Å²	19.6	35%	0.35	11%	0.111	S	C	.	.	H	α-helix	trans	-151.7	7.1	-173.7	64.2	0	0	0	0	115.8	S153 V159	S153-S157 PolarHBondContact O-N 3.05Å; S157-V159 PolarHBondContact O-N 3.4Å; S157-V159 PolarHBondContact OG-O 2.81Å
158	R	89.8	Confident	91.7	Very high	20 Å²	20	26.4 Å²	26.4	8%	0.075	14%	0.141	C	C	.	.	S	Bend	trans	56	8.8	-169.5	-51.7	-173.8	-161.7	166.4	6.9	115.2	L154 S164 L165 V264 T445 S448	L154-R158 VanDerWaalsContact O-CA 3.29Å; L154-R158 WeakPolarHBondContact O-CA 2.91Å; L154-R158 PolarHBondContact O-N 3.24Å; R158-S164 WeakPolarHBondContact O-CA 3.38Å; R158-L165 HydrophobicContact CB-CB 4.39Å; R158-L165 WeakPolarHBondContact CB-O 3.24Å; R158-L165 PolarHBondContact O-N 2.88Å; R158-V264 HydrophobicContact CG-CG1 4.24Å; R158-T445 PolarHBondContact NE-O 3.41Å; R158-T445 VanDerWaalsContact NE-O 3.16Å; R158-T445 PolarHBondContact NH2-O 2.91Å; R158-S448 PolarHBondContact NH1-O 3.26Å; R158-S448 PolarHBondContact NH2-O 2.91Å; R158-S448 PolarHBondContact NH2-OG 3.07Å
159	V	93.3	Very high	90.6	Very high	40 Å²	40	25.3 Å²	25.3	24%	0.242	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-114.3	131.4	177.7	178.2	0	0	0	0	107.4	S157 K314	S157-V159 PolarHBondContact O-N 3.4Å; S157-V159 PolarHBondContact OG-O 2.81Å; V159-K314 VanDerWaalsContact C-NZ 3.3Å; V159-K314 PolarHBondContact O-NZ 3Å
160	T	95.8	Very high	89.9	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.154	C	C	.	.			trans	-122.8	172.4	169.2	70.9	0	0	0	0	109.8	L150 L154 L162 F163 G177 S178 D310	L150-T160 HydrophobicContact CD2-CG2 4.05Å; L154-T160 HydrophobicContact CD2-CG2 3.65Å; L154-T160 HydrophobicContact CG-CG2 3.78Å; T160-L162 PolarHBondContact O-N 3.42Å; T160-L162 PolarHBondContact OG1-N 2.89Å; T160-L162 VanDerWaalsContact OG1-N 3.13Å; T160-F163 PolarHBondContact N-O 3.25Å; T160-F163 PolarHBondContact OG1-N 3.32Å; T160-F163 PolarHBondContact OG1-O 3.2Å; T160-G177 CarbonylContact O-C 3.26Å; T160-G177 WeakPolarHBondContact O-CA 3.49Å; T160-S178 PolarHBondContact O-N 3.41Å; T160-D310 WeakPolarHBondContact CA-OD2 3.47Å
161	A	94	Very high	89.3	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.008	16%	0.161	C	C	.	.	S	Bend	trans	-60.6	-22.7	168.2	0	0	0	0	0	113.6	S178 L179 M306 D310	A161-S178 WeakPolarHBondContact CA-O 3.33Å; A161-L179 HydrophobicContact CB-CD2 4.25Å; A161-L179 VanDerWaalsContact O-CD2 3.31Å; A161-L179 WeakPolarHBondContact O-CD2 3.41Å; A161-M306 HydrophobicContact CB-CG 4.01Å; A161-M306 HydrophobicContact CB-SD 4.08Å; A161-D310 HydrophobicContact CB-CB 4.07Å; A161-D310 PolarHBondContact N-OD2 2.9Å
162	L	94.6	Very high	89	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.021	16%	0.155	C	C	.	.	S	Bend	trans	-94.3	-46.8	-172.8	-53.4	-174.2	0	0	0	112.5	L146 L150 T160 G177 L228 L290 M306	L146-L162 HydrophobicContact CD1-CD1 4.01Å; L150-L162 HydrophobicContact CD1-CD1 4.15Å; L150-L162 HydrophobicContact CD2-CD1 3.8Å; L150-L162 HydrophobicContact CD2-CG 4.31Å; L150-L162 HydrophobicContact CG-CD1 4.49Å; T160-L162 PolarHBondContact O-N 3.42Å; T160-L162 PolarHBondContact OG1-N 2.89Å; T160-L162 VanDerWaalsContact OG1-N 3.13Å; L162-G177 PolarHBondContact O-N 2.88Å; L162-L228 HydrophobicContact CD2-CD1 3.72Å; L162-L290 HydrophobicContact CB-CD1 4.35Å; L162-L290 HydrophobicContact CD1-CD1 3.92Å; L162-L290 HydrophobicContact CD1-CD2 3.76Å; L162-L290 HydrophobicContact CD2-CD2 3.85Å; L162-L290 HydrophobicContact CG-CD1 4.5Å; L162-L290 HydrophobicContact CG-CD2 4.39Å; L162-M306 HydrophobicContact CD2-SD 4.2Å
163	F	95	Very high	88.7	Confident	1 Å²	1	30 Å²	30	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	165.5	176.5	61.9	-88.1	0	0	0	111	L150 L154 T160 L165 I174 H175 I255 L260 W283	L150-F163 HydrophobicContact CD1-CE1 3.57Å; L150-F163 HydrophobicContact CD1-CZ 3.97Å; L154-F163 HydrophobicContact CD1-CE2 4.36Å; L154-F163 HydrophobicContact CD1-CZ 4.27Å; L154-F163 HydrophobicContact CD2-CE2 4.13Å; T160-F163 PolarHBondContact N-O 3.25Å; T160-F163 PolarHBondContact OG1-N 3.32Å; T160-F163 PolarHBondContact OG1-O 3.2Å; F163-L165 HydrophobicContact CD2-CD2 3.88Å; F163-L165 HydrophobicContact CD2-CG 4.08Å; F163-L165 HydrophobicContact CE2-CD1 4.14Å; F163-L165 HydrophobicContact CE2-CD2 3.94Å; F163-L165 HydrophobicContact CE2-CG 3.97Å; F163-I174 HydrophobicContact CB-CG2 4.43Å; F163-H175 WeakPolarHBondContact CA-O 3.35Å; F163-I255 HydrophobicContact CD1-CD1 4.22Å; F163-I255 HydrophobicContact CE1-CD1 3.54Å; F163-I255 HydrophobicContact CZ-CD1 4.17Å; F163-L260 HydrophobicContact CE2-CD1 4.21Å; F163-L260 HydrophobicContact CZ-CD1 3.73Å; F163-W283 HydrophobicContact CB-CZ3 3.99Å; F163-W283 HydrophobicContact CD1-CZ3 4.25Å; F163-W283 HydrophobicContact CG-CZ3 4.23Å
164	S	93.9	Very high	88.6	Confident	11 Å²	11	30.1 Å²	30.1	8%	0.077	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.8	171	55.3	0	0	0	0	112	R158 H175 S176	R158-S164 WeakPolarHBondContact O-CA 3.38Å; S164-H175 PolarHBondContact N-O 3.46Å; S164-H175 PolarHBondContact O-N 3.15Å; S164-H175 VanDerWaalsContact OG-CB 3.31Å; S164-H175 WeakPolarHBondContact OG-CB 3.35Å; S164-S176 PolarHBondContact OG-O 2.83Å; S164-S176 VanDerWaalsContact OG-O 3.08Å
165	L	91.7	Very high	88.5	Confident	4 Å²	4	32 Å²	32	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.3	-178.6	-54.4	171.9	0	0	0	109.4	L154 R158 F163 I172 E173 I174 L260 F261 V264 F265	L154-L165 HydrophobicContact CD2-CD1 4.09Å; L154-L165 HydrophobicContact CD2-CG 4.46Å; R158-L165 HydrophobicContact CB-CB 4.39Å; R158-L165 WeakPolarHBondContact CB-O 3.24Å; R158-L165 PolarHBondContact O-N 2.88Å; F163-L165 HydrophobicContact CD2-CD2 3.88Å; F163-L165 HydrophobicContact CD2-CG 4.08Å; F163-L165 HydrophobicContact CE2-CD1 4.14Å; F163-L165 HydrophobicContact CE2-CD2 3.94Å; F163-L165 HydrophobicContact CE2-CG 3.97Å; L165-I172 HydrophobicContact CD2-CG2 4.49Å; L165-E173 WeakPolarHBondContact CA-O 3.4Å; L165-I174 HydrophobicContact CD2-CG1 3.91Å; L165-L260 HydrophobicContact CD1-CD2 3.69Å; L165-F261 HydrophobicContact CD2-CE1 4.37Å; L165-V264 HydrophobicContact CD1-CG1 4.47Å; L165-F265 HydrophobicContact CB-CZ 4.44Å
166	K	86.5	Confident	88.6	Confident	115 Å²	115	33.7 Å²	33.7	50%	0.5	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.7	169.9	-64.9	-177	-178	173.1	0	108.9	I172 E173	K166-I172 CarbonylContact O-C 3.54Å; K166-I172 WeakPolarHBondContact O-CA 3.47Å; K166-E173 HydrophobicContact CB-CB 4.36Å; K166-E173 PolarHBondContact N-O 3.49Å; K166-E173 PolarHBondContact O-N 3.13Å
167	L	79.8	Confident	88.9	Confident	36 Å²	36	33.5 Å²	33.5	19%	0.188	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.4	170.1	-174.5	72.6	0	0	0	107.7	I172 F265 L273 S449	L167-I172 HydrophobicContact CD1-CG1 3.7Å; L167-F265 HydrophobicContact CB-CE1 4.1Å; L167-L273 HydrophobicContact CD1-CD1 3.92Å; L167-S449 WeakPolarHBondContact CD2-O 3.29Å
168	F	74.5	Confident	89.3	Confident	147 Å²	147	32.4 Å²	32.4	65%	0.645	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	106	174.9	-171	-94.5	0	0	0	109	V170 T171	F168-V170 PolarHBondContact O-N 3.41Å; F168-V170 VanDerWaalsContact O-N 3.12Å; F168-T171 PolarHBondContact N-O 2.95Å; F168-T171 PolarHBondContact O-N 3.11Å
169	G	73.8	Confident	89.5	Confident	32 Å²	32	31.8 Å²	31.8	33%	0.33	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-117.2	-171.4	0	0	0	0	0	111
170	V	80.6	Confident	89.4	Confident	81 Å²	81	32 Å²	32	49%	0.491	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	10.4	177.9	-61.7	0	0	0	0	114.1	F168 L273 E274	F168-V170 PolarHBondContact O-N 3.41Å; F168-V170 VanDerWaalsContact O-N 3.12Å; V170-L273 HydrophobicContact CB-CD2 4.1Å; V170-L273 CarbonylContact O-C 3.5Å; V170-L273 WeakPolarHBondContact O-CA 3.42Å; V170-L273 VanDerWaalsContact O-CB 3.32Å; V170-L273 WeakPolarHBondContact O-CB 3.49Å; V170-L273 WeakPolarHBondContact O-CD2 3.48Å; V170-E274 PolarHBondContact O-N 3.1Å
171	T	85.5	Confident	89.2	Confident	22 Å²	22	32 Å²	32	14%	0.135	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125	-175.1	-54.5	0	0	0	0	111.6	F168 E173 E274 T276	F168-T171 PolarHBondContact N-O 2.95Å; F168-T171 PolarHBondContact O-N 3.11Å; T171-E173 HydrophobicContact CG2-CG 4.49Å; T171-E274 CarbonylContact C-O 3.56Å; T171-E274 WeakPolarHBondContact CA-O 3.47Å; T171-E274 HydrophobicContact CG2-CB 4.22Å; T171-T276 HydrophobicContact CG2-CG2 3.63Å
172	I	88.6	Confident	89.1	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.8	167.4	-64.1	168.2	0	0	0	108.5	L165 K166 L167 F261 F265 L273 E274 F275 T276	L165-I172 HydrophobicContact CD2-CG2 4.49Å; K166-I172 CarbonylContact O-C 3.54Å; K166-I172 WeakPolarHBondContact O-CA 3.47Å; L167-I172 HydrophobicContact CD1-CG1 3.7Å; I172-F261 HydrophobicContact CD1-CD1 4.32Å; I172-F261 HydrophobicContact CD1-CE1 4.41Å; I172-F261 HydrophobicContact CG2-CE1 4.22Å; I172-F265 HydrophobicContact CD1-CD2 3.82Å; I172-F265 HydrophobicContact CD1-CE2 3.45Å; I172-F265 VanDerWaalsContact CD1-CE2 3.45Å; I172-F265 HydrophobicContact CD1-CZ 4.01Å; I172-F265 HydrophobicContact CG1-CE2 3.94Å; I172-F265 HydrophobicContact CG1-CZ 3.96Å; I172-F265 HydrophobicContact CG2-CE2 4.28Å; I172-F265 HydrophobicContact CG2-CZ 4.2Å; I172-L273 HydrophobicContact CD1-CB 4.28Å; I172-L273 HydrophobicContact CD1-CD1 3.59Å; I172-L273 HydrophobicContact CG1-CB 4.4Å; I172-L273 HydrophobicContact CG1-CD1 3.82Å; I172-E274 PolarHBondContact N-O 2.65Å; I172-F275 HydrophobicContact CB-CD1 4.03Å; I172-F275 HydrophobicContact CB-CE1 4.36Å; I172-F275 HydrophobicContact CD1-CD1 4.28Å; I172-F275 HydrophobicContact CD1-CE1 3.73Å; I172-F275 HydrophobicContact CG2-CD1 4.41Å; I172-F275 WeakPolarHBondContact O-CA 3.48Å; I172-T276 PolarHBondContact O-N 3.2Å
173	E	90.3	Very high	88.7	Confident	41 Å²	41	33.1 Å²	33.1	19%	0.192	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.8	173.4	-45	-162	153.9	0	0	111.3	L165 K166 T171 H175 T276 Q278	L165-E173 WeakPolarHBondContact CA-O 3.4Å; K166-E173 HydrophobicContact CB-CB 4.36Å; K166-E173 PolarHBondContact N-O 3.49Å; K166-E173 PolarHBondContact O-N 3.13Å; T171-E173 HydrophobicContact CG2-CG 4.49Å; E173-H175 WeakPolarHBondContact CB-NE2 3.28Å; E173-H175 IonicContact OE2-CD2 2.91Å; E173-H175 IonicContact OE2-CE1 3.02Å; E173-H175 PolarHBondContact OE2-CE1 3.2Å; E173-H175 IonicContact OE2-NE2 3.47Å; E173-H175 PolarHBondContact OE2-NE2 3.09Å; E173-T276 CarbonylContact C-O 3.52Å; E173-T276 WeakPolarHBondContact CA-O 3.48Å; E173-T276 WeakPolarHBondContact CA-OG1 3.37Å; E173-T276 WeakPolarHBondContact CG-OG1 3.38Å; E173-Q278 PolarHBondContact OE2-NE2 2.86Å
174	I	93.7	Very high	88	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.8	174.3	-53.7	176.3	0	0	0	108.4	F163 L165 L248 W257 T276 I277 Q278 W283	F163-I174 HydrophobicContact CB-CG2 4.43Å; L165-I174 HydrophobicContact CD2-CG1 3.91Å; I174-L248 HydrophobicContact CD1-CD1 3.85Å; I174-L248 HydrophobicContact CD1-CD2 3.52Å; I174-L248 HydrophobicContact CD1-CG 4.35Å; I174-W257 HydrophobicContact CD1-CH2 4.22Å; I174-W257 HydrophobicContact CD1-CZ3 4.1Å; I174-T276 PolarHBondContact N-O 3.31Å; I174-I277 HydrophobicContact CB-CG1 4.22Å; I174-I277 HydrophobicContact CD1-CG1 4.37Å; I174-Q278 PolarHBondContact O-N 3.43Å; I174-Q278 VanDerWaalsContact O-N 3.14Å; I174-W283 HydrophobicContact CG2-CE3 4.16Å; I174-W283 HydrophobicContact CG2-CZ3 4.2Å
175	H	92.5	Very high	87.3	Confident	40 Å²	40	43.5 Å²	43.5	19%	0.185	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	161.4	179.2	-66.7	-117.9	0	0	0	109.3	F163 S164 E173 Q278	F163-H175 WeakPolarHBondContact CA-O 3.35Å; S164-H175 PolarHBondContact N-O 3.46Å; S164-H175 PolarHBondContact O-N 3.15Å; S164-H175 VanDerWaalsContact OG-CB 3.31Å; S164-H175 WeakPolarHBondContact OG-CB 3.35Å; E173-H175 WeakPolarHBondContact CB-NE2 3.28Å; E173-H175 IonicContact OE2-CD2 2.91Å; E173-H175 IonicContact OE2-CE1 3.02Å; E173-H175 PolarHBondContact OE2-CE1 3.2Å; E173-H175 IonicContact OE2-NE2 3.47Å; E173-H175 PolarHBondContact OE2-NE2 3.09Å; H175-Q278 WeakPolarHBondContact CE1-CG 3.46Å; H175-Q278 WeakPolarHBondContact ND1-CG 3.48Å
176	S	93	Very high	86.7	Confident	50 Å²	50	48 Å²	48	35%	0.35	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	152.6	169.5	-60.5	0	0	0	0	111.3	S164	S164-S176 PolarHBondContact OG-O 2.83Å; S164-S176 VanDerWaalsContact OG-O 3.08Å
177	G	93.4	Very high	86.1	Confident	6 Å²	6	42.7 Å²	42.7	6%	0.062	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-67.4	161.8	177.1	0	0	0	0	0	112.3	T160 L162 Q232	T160-G177 CarbonylContact O-C 3.26Å; T160-G177 WeakPolarHBondContact O-CA 3.49Å; L162-G177 PolarHBondContact O-N 2.88Å; G177-Q232 PolarHBondContact O-NE2 2.85Å
178	S	94.2	Very high	85.5	Confident	26 Å²	26	45.3 Å²	45.3	18%	0.182	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-92.7	117.5	172.6	171.9	0	0	0	0	109.2	T160 A161 D180	T160-S178 PolarHBondContact O-N 3.41Å; A161-S178 WeakPolarHBondContact CA-O 3.33Å; S178-D180 VanDerWaalsContact C-N 3.25Å; S178-D180 WeakPolarHBondContact OG-CB 3.21Å; S178-D180 PolarHBondContact OG-N 2.89Å; S178-D180 PolarHBondContact OG-OD1 2.92Å
179	L	94	Very high	85.3	Confident	7 Å²	7	41.2 Å²	41.2	4%	0.037	23%	0.225	C	C	.	.			trans	-92.8	18.2	175.8	-57	175.5	0	0	0	112.4	A161 A181 F182 D183 Y225 L228 K229	A161-L179 HydrophobicContact CB-CD2 4.25Å; A161-L179 VanDerWaalsContact O-CD2 3.31Å; A161-L179 WeakPolarHBondContact O-CD2 3.41Å; L179-A181 PolarHBondContact O-N 3.16Å; L179-A181 VanDerWaalsContact O-N 3.14Å; L179-F182 PolarHBondContact O-N 3.33Å; L179-D183 PolarHBondContact O-N 3.39Å; L179-D183 VanDerWaalsContact O-N 3.16Å; L179-Y225 HydrophobicContact CB-CD2 3.98Å; L179-Y225 HydrophobicContact CB-CE2 3.71Å; L179-Y225 HydrophobicContact CD1-CD2 4Å; L179-Y225 HydrophobicContact CD1-CE2 4.05Å; L179-Y225 HydrophobicContact CD2-CD2 4.29Å; L179-Y225 HydrophobicContact CG-CD2 4.33Å; L179-Y225 HydrophobicContact CG-CE2 4.4Å; L179-L228 HydrophobicContact CD1-CB 4Å; L179-L228 HydrophobicContact CD2-CB 4.21Å; L179-L228 HydrophobicContact CD2-CD1 4.18Å; L179-K229 HydrophobicContact CD1-CB 3.9Å
180	D	91.7	Very high	85.1	Confident	46 Å²	46	45.6 Å²	45.6	25%	0.246	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-57.1	-31.6	-174.7	-74.1	28.7	0	0	0	112.6	S178 F182 D183 K186 Y313	S178-D180 VanDerWaalsContact C-N 3.25Å; S178-D180 WeakPolarHBondContact OG-CB 3.21Å; S178-D180 PolarHBondContact OG-N 2.89Å; S178-D180 PolarHBondContact OG-OD1 2.92Å; D180-F182 PolarHBondContact O-N 2.81Å; D180-F182 VanDerWaalsContact O-N 3.09Å; D180-D183 PolarHBondContact O-N 3.45Å; D180-K186 HydrophobicContact CB-CG 3.98Å; D180-K186 WeakPolarHBondContact OD2-CE 3.39Å; D180-K186 IonicContact OD2-NZ 3.61Å; D180-Y313 HydrophobicContact CB-CE1 3.57Å
181	A	92	Very high	84.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-61.9	-15.6	176.5	0	0	0	0	0	114.1	L179 I201 Y313 Y327	L179-A181 PolarHBondContact O-N 3.16Å; L179-A181 VanDerWaalsContact O-N 3.14Å; A181-I201 WeakPolarHBondContact O-CD1 3.33Å; A181-Y313 HydrophobicContact CB-CD1 3.65Å; A181-Y313 HydrophobicContact CB-CD2 4.19Å; A181-Y313 HydrophobicContact CB-CE1 4.44Å; A181-Y313 HydrophobicContact CB-CG 3.5Å; A181-Y327 WeakPolarHBondContact O-CE1 3.23Å; A181-Y327 PolarHBondContact O-OH 3.01Å
182	F	91.8	Very high	84	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-124.7	-4.4	-176.6	-52.3	-78.1	0	0	0	112.1	L179 D180 I201 V221 F222 Y225 M306 I309	L179-F182 PolarHBondContact O-N 3.33Å; D180-F182 PolarHBondContact O-N 2.81Å; D180-F182 VanDerWaalsContact O-N 3.09Å; F182-I201 HydrophobicContact CD1-CD1 4.49Å; F182-V221 HydrophobicContact CD1-CG1 4.33Å; F182-V221 HydrophobicContact CE1-CG1 3.57Å; F182-V221 HydrophobicContact CZ-CG1 4.05Å; F182-F222 HydrophobicContact CD1-CE2 4.2Å; F182-Y225 HydrophobicContact CB-CD1 4.23Å; F182-Y225 HydrophobicContact CB-CD2 3.37Å; F182-Y225 HydrophobicContact CB-CE1 4.29Å; F182-Y225 HydrophobicContact CB-CE2 3.43Å; F182-Y225 VanDerWaalsContact CB-CE2 3.43Å; F182-Y225 HydrophobicContact CB-CG 3.76Å; F182-Y225 HydrophobicContact CD2-CD2 4.12Å; F182-Y225 AromaticContact CG-CD2 3.96Å; F182-Y225 HydrophobicContact CG-CD2 3.96Å; F182-Y225 HydrophobicContact CG-CE2 4.45Å; F182-Y225 HydrophobicContact CG-CG 4.25Å; F182-Y225 PolarHBondContact O-OH 3.48Å; F182-M306 HydrophobicContact CD2-CE 4.39Å; F182-M306 HydrophobicContact CE2-CE 4.02Å; F182-M306 HydrophobicContact CE2-CG 3.85Å; F182-M306 HydrophobicContact CZ-CB 4.38Å; F182-M306 HydrophobicContact CZ-CE 4.31Å; F182-M306 HydrophobicContact CZ-CG 3.83Å; F182-I309 HydrophobicContact CE1-CB 4.21Å; F182-I309 HydrophobicContact CE1-CD1 4.27Å; F182-I309 HydrophobicContact CE1-CG2 3.62Å; F182-I309 HydrophobicContact CZ-CB 4Å; F182-I309 HydrophobicContact CZ-CG2 3.69Å
183	D	86	Confident	83.5	Confident	29 Å²	29	55.4 Å²	55.4	16%	0.155	29%	0.29	C	S	.	.			trans	-86.1	122.4	-174.4	-159.2	-15.9	0	0	0	111.9	L179 D180 E185 K186 L187 K229	L179-D183 PolarHBondContact O-N 3.39Å; L179-D183 VanDerWaalsContact O-N 3.16Å; D180-D183 PolarHBondContact O-N 3.45Å; D183-E185 PolarHBondContact O-N 2.98Å; D183-E185 PolarHBondContact OD1-N 2.98Å; D183-K186 HydrophobicContact CB-CB 4.49Å; D183-K186 HydrophobicContact CB-CG 4.03Å; D183-K186 WeakPolarHBondContact O-CB 3.26Å; D183-K186 PolarHBondContact O-N 2.64Å; D183-L187 PolarHBondContact O-N 3.18Å; D183-K229 IonicContact OD1-NZ 2.9Å
184	K	81.6	Confident	82.9	Confident	63 Å²	63	56.7 Å²	56.7	27%	0.274	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-28	177.8	74.4	-174.7	-177.9	-171.9	0	113.5	K186 L187 Q192 D194 V197	K184-K186 PolarHBondContact O-N 2.9Å; K184-L187 PolarHBondContact O-N 2.97Å; K184-Q192 PolarHBondContact NZ-O 3Å; K184-D194 IonicContact NZ-OD1 3.04Å; K184-V197 HydrophobicContact CB-CG2 3.44Å; K184-V197 VanDerWaalsContact CB-CG2 3.44Å; K184-V197 HydrophobicContact CD-CG2 4.47Å
185	E	78.7	Confident	82.4	Confident	167 Å²	167	58.9 Å²	58.9	78%	0.78	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.5	176.2	-66.8	-178.4	-170.6	0	0	112.3	D183	D183-E185 PolarHBondContact O-N 2.98Å; D183-E185 PolarHBondContact OD1-N 2.98Å
186	K	78.8	Confident	82.1	Confident	98 Å²	98	61.5 Å²	61.5	43%	0.426	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-26.7	176.8	-59.6	-64.3	-177.6	174.3	0	112.5	D180 D183 K184	D180-K186 HydrophobicContact CB-CG 3.98Å; D180-K186 WeakPolarHBondContact OD2-CE 3.39Å; D180-K186 IonicContact OD2-NZ 3.61Å; D183-K186 HydrophobicContact CB-CB 4.49Å; D183-K186 HydrophobicContact CB-CG 4.03Å; D183-K186 WeakPolarHBondContact O-CB 3.26Å; D183-K186 PolarHBondContact O-N 2.64Å; K184-K186 PolarHBondContact O-N 2.9Å
187	L	72.9	Confident	81.8	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	116.1	171.6	-60	174.7	0	0	0	107.7	D183 K184 V189 V197 L200 I201 Y204 Y327	D183-L187 PolarHBondContact O-N 3.18Å; K184-L187 PolarHBondContact O-N 2.97Å; L187-V189 PolarHBondContact O-N 3.05Å; L187-V197 HydrophobicContact CD1-CG1 3.65Å; L187-L200 HydrophobicContact CD1-CD2 4.41Å; L187-I201 HydrophobicContact CD1-CD1 3.89Å; L187-I201 HydrophobicContact CD1-CG1 3.91Å; L187-Y204 HydrophobicContact CD2-CE2 4.15Å; L187-Y327 HydrophobicContact CD2-CD1 3.36Å; L187-Y327 HydrophobicContact CD2-CE1 3.66Å; L187-Y327 HydrophobicContact CD2-CG 4.39Å
188	N	68.3	Low	81.8	Confident	90 Å²	90	61.2 Å²	61.2	48%	0.481	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	58.9	-178.6	-174.8	22.2	0	0	0	113.4	P328 N330	N188-P328 PolarHBondContact N-O 3.37Å; N188-N330 PolarHBondContact ND2-OD1 3.37Å; N188-N330 PolarHBondContact OD1-OD1 3.15Å
189	V	69.1	Low	81.6	Confident	62 Å²	62	65.8 Å²	65.8	38%	0.376	34%	0.336	S	S	.	.	S	Bend	trans	-139.7	134.8	-177.8	-160.1	0	0	0	0	108.4	L187 I191 L200	L187-V189 PolarHBondContact O-N 3.05Å; V189-I191 HydrophobicContact CB-CD1 3.72Å; V189-I191 HydrophobicContact CB-CG1 3.81Å; V189-I191 HydrophobicContact CG1-CD1 3.68Å; V189-I191 HydrophobicContact CG1-CG1 3.51Å; V189-I191 HydrophobicContact CG2-CD1 4.33Å; V189-I191 PolarHBondContact O-N 3.48Å; V189-L200 HydrophobicContact CB-CD2 4.34Å; V189-L200 HydrophobicContact CG2-CD2 3.54Å
190	S	70.5	Confident	81.5	Confident	124 Å²	124	67 Å²	67	87%	0.867	34%	0.342	S	S	*	.			trans	-73.6	53.1	175.4	61.4	0	0	0	0	111.5
191	I	73.1	Confident	81.5	Confident	22 Å²	22	64.8 Å²	64.8	11%	0.113	33%	0.33	C	S	.	.			trans	-86.7	128.7	-179.7	-69.2	167.4	0	0	0	109.2	V189 E193 E196 V197 L200	V189-I191 HydrophobicContact CB-CD1 3.72Å; V189-I191 HydrophobicContact CB-CG1 3.81Å; V189-I191 HydrophobicContact CG1-CD1 3.68Å; V189-I191 HydrophobicContact CG1-CG1 3.51Å; V189-I191 HydrophobicContact CG2-CD1 4.33Å; V189-I191 PolarHBondContact O-N 3.48Å; I191-E193 WeakPolarHBondContact CG2-O 3.44Å; I191-E196 HydrophobicContact CD1-CB 4.38Å; I191-E196 HydrophobicContact CG1-CB 4.37Å; I191-E196 HydrophobicContact CG2-CB 3.48Å; I191-E196 VanDerWaalsContact CG2-CB 3.48Å; I191-E196 HydrophobicContact CG2-CG 4.45Å; I191-E196 WeakPolarHBondContact CG2-OE2 2.99Å; I191-V197 HydrophobicContact CB-CG2 4.15Å; I191-V197 HydrophobicContact CD1-CG2 4.32Å; I191-V197 HydrophobicContact CG2-CG2 3.61Å; I191-L200 HydrophobicContact CD1-CB 4.43Å; I191-L200 HydrophobicContact CD1-CD2 3.68Å
192	Q	70.9	Confident	81.7	Confident	170 Å²	170	64.8 Å²	64.8	79%	0.794	33%	0.33	S	S	*	.			trans	-89.4	-38.8	177.6	-65.1	-171.7	-9.2	0	0	111.7	K184	K184-Q192 PolarHBondContact NZ-O 3Å
193	E	78.1	Confident	81.7	Confident	116 Å²	116	71.1 Å²	71.1	54%	0.542	36%	0.358	S	S	.	.			trans	-98.5	139.3	-171.6	-57.1	-169.4	171.9	0	0	113.4	I191 S195 E196 V197	I191-E193 WeakPolarHBondContact CG2-O 3.44Å; E193-S195 VanDerWaalsContact CB-OG 3.3Å; E193-S195 WeakPolarHBondContact CB-OG 3.35Å; E193-S195 PolarHBondContact O-N 3.31Å; E193-S195 PolarHBondContact OE2-OG 3.47Å; E193-S195 VanDerWaalsContact OE2-OG 3.12Å; E193-E196 HydrophobicContact CB-CG 4.5Å; E193-E196 PolarHBondContact O-N 3.43Å; E193-V197 PolarHBondContact O-N 3.03Å
194	D	76	Confident	82.1	Confident	68 Å²	68	70.6 Å²	70.6	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-67.7	-21.4	178.1	-67.7	-7.6	0	0	0	112.2	K184 V197 K198	K184-D194 IonicContact NZ-OD1 3.04Å; D194-V197 PolarHBondContact O-N 2.66Å; D194-K198 PolarHBondContact O-N 3.04Å; D194-K198 VanDerWaalsContact O-N 3.12Å
195	S	83.2	Confident	82.7	Confident	49 Å²	49	67.6 Å²	67.6	34%	0.343	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-47.3	173	46.5	0	0	0	0	112.4	E193 V197 K198 E199	E193-S195 VanDerWaalsContact CB-OG 3.3Å; E193-S195 WeakPolarHBondContact CB-OG 3.35Å; E193-S195 PolarHBondContact O-N 3.31Å; E193-S195 PolarHBondContact OE2-OG 3.47Å; E193-S195 VanDerWaalsContact OE2-OG 3.12Å; S195-V197 VanDerWaalsContact C-N 3.32Å; S195-V197 PolarHBondContact O-N 3.49Å; S195-K198 WeakPolarHBondContact O-CB 3.39Å; S195-K198 PolarHBondContact O-N 2.9Å; S195-E199 PolarHBondContact O-N 3.5Å
196	E	86.2	Confident	83.5	Confident	94 Å²	94	62.5 Å²	62.5	44%	0.439	32%	0.317	S	S	.	.	H	α-helix	trans	-65.6	-36.2	177.6	-72.6	-179.5	-179.9	0	0	111.3	I191 E193 K198 E199 L200	I191-E196 HydrophobicContact CD1-CB 4.38Å; I191-E196 HydrophobicContact CG1-CB 4.37Å; I191-E196 HydrophobicContact CG2-CB 3.48Å; I191-E196 VanDerWaalsContact CG2-CB 3.48Å; I191-E196 HydrophobicContact CG2-CG 4.45Å; I191-E196 WeakPolarHBondContact CG2-OE2 2.99Å; E193-E196 HydrophobicContact CB-CG 4.5Å; E193-E196 PolarHBondContact O-N 3.43Å; E196-K198 VanDerWaalsContact C-N 3.35Å; E196-E199 PolarHBondContact O-N 2.9Å; E196-L200 WeakPolarHBondContact O-CB 3.34Å; E196-L200 PolarHBondContact O-N 2.9Å
197	V	88	Confident	84.2	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-43.5	174.6	169.1	0	0	0	0	111.2	K184 L187 I191 E193 D194 S195 L200 I201 F222	K184-V197 HydrophobicContact CB-CG2 3.44Å; K184-V197 VanDerWaalsContact CB-CG2 3.44Å; K184-V197 HydrophobicContact CD-CG2 4.47Å; L187-V197 HydrophobicContact CD1-CG1 3.65Å; I191-V197 HydrophobicContact CB-CG2 4.15Å; I191-V197 HydrophobicContact CD1-CG2 4.32Å; I191-V197 HydrophobicContact CG2-CG2 3.61Å; E193-V197 PolarHBondContact O-N 3.03Å; D194-V197 PolarHBondContact O-N 2.66Å; S195-V197 VanDerWaalsContact C-N 3.32Å; S195-V197 PolarHBondContact O-N 3.49Å; V197-L200 PolarHBondContact O-N 3.27Å; V197-I201 HydrophobicContact CG1-CD1 3.81Å; V197-I201 WeakPolarHBondContact O-CB 3.45Å; V197-I201 WeakPolarHBondContact O-CG1 3.26Å; V197-I201 PolarHBondContact O-N 2.79Å; V197-F222 HydrophobicContact CB-CE1 4.47Å; V197-F222 HydrophobicContact CG1-CE1 4.01Å; V197-F222 HydrophobicContact CG1-CZ 3.97Å
198	K	91.9	Very high	85.2	Confident	49 Å²	49	60.4 Å²	60.4	21%	0.213	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-48.8	177.1	-179.6	-173.2	68.9	-178.2	0	112.1	D194 S195 E196 L200 I201 F202 M218 D219 F222	D194-K198 PolarHBondContact O-N 3.04Å; D194-K198 VanDerWaalsContact O-N 3.12Å; S195-K198 WeakPolarHBondContact O-CB 3.39Å; S195-K198 PolarHBondContact O-N 2.9Å; E196-K198 VanDerWaalsContact C-N 3.35Å; K198-L200 VanDerWaalsContact C-N 3.32Å; K198-L200 PolarHBondContact O-N 3.38Å; K198-I201 PolarHBondContact O-N 2.98Å; K198-F202 WeakPolarHBondContact O-CB 3.49Å; K198-F202 PolarHBondContact O-N 3.09Å; K198-M218 HydrophobicContact CD-CB 3.92Å; K198-M218 HydrophobicContact CG-CB 3.73Å; K198-M218 HydrophobicContact CG-CE 4.29Å; K198-D219 IonicContact NZ-OD1 2.68Å; K198-D219 PolarHBondContact NZ-OD1 3.26Å; K198-F222 HydrophobicContact CB-CD1 4.04Å; K198-F222 HydrophobicContact CB-CD2 3.91Å; K198-F222 HydrophobicContact CB-CE1 3.81Å; K198-F222 HydrophobicContact CB-CE2 3.68Å; K198-F222 HydrophobicContact CB-CG 4.08Å; K198-F222 HydrophobicContact CB-CZ 3.62Å; K198-F222 HydrophobicContact CD-CB 4.45Å; K198-F222 HydrophobicContact CD-CD2 4.13Å; K198-F222 HydrophobicContact CD-CG 4.19Å; K198-F222 HydrophobicContact CG-CD2 3.61Å; K198-F222 HydrophobicContact CG-CE2 3.71Å; K198-F222 HydrophobicContact CG-CG 4.04Å; K198-F222 HydrophobicContact CG-CZ 4.2Å
199	E	91.3	Very high	86.4	Confident	121 Å²	121	56.6 Å²	56.6	57%	0.565	29%	0.293	S	S	*	.	H	α-helix	trans	-62.3	-40.9	178.1	-70.1	-176.8	-176	0	0	111.7	S195 E196 F202 K203	S195-E199 PolarHBondContact O-N 3.5Å; E196-E199 PolarHBondContact O-N 2.9Å; E199-F202 PolarHBondContact O-N 3.16Å; E199-K203 PolarHBondContact O-N 2.98Å
200	L	91	Very high	87.7	Confident	32 Å²	32	53.8 Å²	53.8	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-47.5	177.3	-177.7	65.3	0	0	0	112.1	L187 V189 I191 E196 V197 K198 F202 K203 Y204	L187-L200 HydrophobicContact CD1-CD2 4.41Å; V189-L200 HydrophobicContact CB-CD2 4.34Å; V189-L200 HydrophobicContact CG2-CD2 3.54Å; I191-L200 HydrophobicContact CD1-CB 4.43Å; I191-L200 HydrophobicContact CD1-CD2 3.68Å; E196-L200 WeakPolarHBondContact O-CB 3.34Å; E196-L200 PolarHBondContact O-N 2.9Å; V197-L200 PolarHBondContact O-N 3.27Å; K198-L200 VanDerWaalsContact C-N 3.32Å; K198-L200 PolarHBondContact O-N 3.38Å; L200-F202 VanDerWaalsContact C-N 3.3Å; L200-F202 PolarHBondContact O-N 3.28Å; L200-K203 WeakPolarHBondContact O-CB 3.21Å; L200-K203 PolarHBondContact O-N 3.48Å; L200-Y204 HydrophobicContact CD1-CE1 3.93Å; L200-Y204 HydrophobicContact CD1-CE2 4.21Å; L200-Y204 WeakPolarHBondContact CD1-OH 3.35Å; L200-Y204 HydrophobicContact CD2-CE2 4.16Å; L200-Y204 HydrophobicContact CG-CE1 4.38Å; L200-Y204 HydrophobicContact CG-CE2 3.77Å; L200-Y204 PolarHBondContact O-N 3.21Å; L200-Y204 VanDerWaalsContact O-N 3.12Å
201	I	92.8	Very high	89	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.6	-44.9	176.3	-77.4	164.6	0	0	0	110	A181 F182 L187 V197 K198 K203 Y204 L205 M218 F222 Y327	A181-I201 WeakPolarHBondContact O-CD1 3.33Å; F182-I201 HydrophobicContact CD1-CD1 4.49Å; L187-I201 HydrophobicContact CD1-CD1 3.89Å; L187-I201 HydrophobicContact CD1-CG1 3.91Å; V197-I201 HydrophobicContact CG1-CD1 3.81Å; V197-I201 WeakPolarHBondContact O-CB 3.45Å; V197-I201 WeakPolarHBondContact O-CG1 3.26Å; V197-I201 PolarHBondContact O-N 2.79Å; K198-I201 PolarHBondContact O-N 2.98Å; I201-K203 VanDerWaalsContact C-N 3.3Å; I201-K203 PolarHBondContact O-N 3.12Å; I201-Y204 WeakPolarHBondContact O-CA 3.3Å; I201-Y204 WeakPolarHBondContact O-CB 3.35Å; I201-Y204 PolarHBondContact O-N 3.28Å; I201-L205 HydrophobicContact CG2-CD1 3.86Å; I201-L205 HydrophobicContact CG2-CG 4.25Å; I201-L205 WeakPolarHBondContact O-CG 3.38Å; I201-L205 PolarHBondContact O-N 3.01Å; I201-M218 HydrophobicContact CB-CE 4.49Å; I201-M218 HydrophobicContact CG2-CE 3.84Å; I201-F222 HydrophobicContact CD1-CE2 4.37Å; I201-F222 HydrophobicContact CD1-CZ 3.85Å; I201-Y327 HydrophobicContact CG1-CE1 4.06Å; I201-Y327 VanDerWaalsContact CG2-OH 3.3Å; I201-Y327 WeakPolarHBondContact CG2-OH 3.46Å
202	F	95.1	Very high	90	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-42.2	178.4	-171.5	-97.2	0	0	0	112.1	K198 E199 L200 Y204 L205 E206 A210 L211 K212 E215 M218	K198-F202 WeakPolarHBondContact O-CB 3.49Å; K198-F202 PolarHBondContact O-N 3.09Å; E199-F202 PolarHBondContact O-N 3.16Å; L200-F202 VanDerWaalsContact C-N 3.3Å; L200-F202 PolarHBondContact O-N 3.28Å; F202-Y204 VanDerWaalsContact C-N 3.27Å; F202-Y204 PolarHBondContact O-N 3.36Å; F202-L205 CarbonylContact O-C 3.58Å; F202-L205 WeakPolarHBondContact O-CA 2.96Å; F202-L205 WeakPolarHBondContact O-CB 3.49Å; F202-L205 PolarHBondContact O-N 3.11Å; F202-E206 HydrophobicContact CD1-CG 4.06Å; F202-E206 HydrophobicContact CE1-CG 3.67Å; F202-E206 HydrophobicContact CZ-CG 4.3Å; F202-E206 PolarHBondContact O-N 3.13Å; F202-A210 HydrophobicContact CE2-CB 3.96Å; F202-A210 HydrophobicContact CZ-CB 4.14Å; F202-L211 WeakPolarHBondContact CZ-O 3.41Å; F202-K212 HydrophobicContact CE1-CD 3.8Å; F202-E215 HydrophobicContact CD1-CB 4.03Å; F202-E215 HydrophobicContact CD1-CG 3.74Å; F202-E215 HydrophobicContact CD2-CB 4.29Å; F202-E215 HydrophobicContact CD2-CG 4.22Å; F202-E215 HydrophobicContact CE1-CB 3.66Å; F202-E215 HydrophobicContact CE1-CG 3.91Å; F202-E215 VanDerWaalsContact CE2-CA 3.43Å; F202-E215 HydrophobicContact CE2-CB 3.93Å; F202-E215 HydrophobicContact CE2-CG 4.36Å; F202-E215 HydrophobicContact CG-CB 4.33Å; F202-E215 HydrophobicContact CG-CG 3.89Å; F202-E215 HydrophobicContact CZ-CB 3.59Å; F202-E215 HydrophobicContact CZ-CG 4.21Å; F202-M218 HydrophobicContact CB-CG 4.19Å; F202-M218 HydrophobicContact CD2-CG 3.56Å; F202-M218 HydrophobicContact CD2-SD 4.22Å; F202-M218 HydrophobicContact CE2-CG 4.42Å; F202-M218 HydrophobicContact CG-CG 4.24Å
203	K	92.9	Very high	91.2	Very high	133 Å²	133	51.3 Å²	51.3	58%	0.578	26%	0.26	S	S	*	.	H	α-helix	trans	-58.7	-36.8	174.3	-172.4	-178.1	178.4	-174.4	0	112.6	E199 L200 I201	E199-K203 PolarHBondContact O-N 2.98Å; L200-K203 WeakPolarHBondContact O-CB 3.21Å; L200-K203 PolarHBondContact O-N 3.48Å; I201-K203 VanDerWaalsContact C-N 3.3Å; I201-K203 PolarHBondContact O-N 3.12Å
204	Y	93.3	Very high	92	Very high	17 Å²	17	46.1 Å²	46.1	7%	0.067	24%	0.236	C	C	.	.	H	α-helix	trans	-67.9	-38.9	172.1	-59.6	-28.2	0	0	0	112	L187 L200 I201 F202 E206 N207 D325 F326 Y327 P328	L187-Y204 HydrophobicContact CD2-CE2 4.15Å; L200-Y204 HydrophobicContact CD1-CE1 3.93Å; L200-Y204 HydrophobicContact CD1-CE2 4.21Å; L200-Y204 WeakPolarHBondContact CD1-OH 3.35Å; L200-Y204 HydrophobicContact CD2-CE2 4.16Å; L200-Y204 HydrophobicContact CG-CE1 4.38Å; L200-Y204 HydrophobicContact CG-CE2 3.77Å; L200-Y204 PolarHBondContact O-N 3.21Å; L200-Y204 VanDerWaalsContact O-N 3.12Å; I201-Y204 WeakPolarHBondContact O-CA 3.3Å; I201-Y204 WeakPolarHBondContact O-CB 3.35Å; I201-Y204 PolarHBondContact O-N 3.28Å; F202-Y204 VanDerWaalsContact C-N 3.27Å; F202-Y204 PolarHBondContact O-N 3.36Å; Y204-E206 VanDerWaalsContact C-N 3.3Å; Y204-E206 PolarHBondContact O-N 3.47Å; Y204-N207 WeakPolarHBondContact O-CB 3.31Å; Y204-N207 PolarHBondContact O-N 3.11Å; Y204-D325 WeakPolarHBondContact CD1-O 3.15Å; Y204-D325 HydrophobicContact CE1-CB 4.47Å; Y204-D325 WeakPolarHBondContact CE1-O 3.36Å; Y204-F326 WeakPolarHBondContact O-CD2 3.4Å; Y204-Y327 HydrophobicContact CD2-CD1 4.41Å; Y204-Y327 AromaticContact CD2-CD2 4Å; Y204-Y327 HydrophobicContact CD2-CD2 4Å; Y204-Y327 HydrophobicContact CD2-CE2 4.3Å; Y204-Y327 HydrophobicContact CD2-CG 4.08Å; Y204-P328 WeakPolarHBondContact OH-CD 3.2Å; Y204-P328 WeakPolarHBondContact OH-CG 3.41Å
205	L	95.5	Very high	92.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-29.6	177.8	-66.2	173.7	0	0	0	112.9	W122 M124 I201 F202 N207 V208 G209 A210 M218 I309 L312	W122-L205 HydrophobicContact CH2-CB 4.06Å; W122-L205 HydrophobicContact CH2-CD2 4.03Å; W122-L205 HydrophobicContact CH2-CG 4.48Å; W122-L205 HydrophobicContact CZ2-CD1 4.4Å; W122-L205 HydrophobicContact CZ2-CD2 4.21Å; M124-L205 HydrophobicContact SD-CD1 4.36Å; I201-L205 HydrophobicContact CG2-CD1 3.86Å; I201-L205 HydrophobicContact CG2-CG 4.25Å; I201-L205 WeakPolarHBondContact O-CG 3.38Å; I201-L205 PolarHBondContact O-N 3.01Å; F202-L205 CarbonylContact O-C 3.58Å; F202-L205 WeakPolarHBondContact O-CA 2.96Å; F202-L205 WeakPolarHBondContact O-CB 3.49Å; F202-L205 PolarHBondContact O-N 3.11Å; L205-N207 PolarHBondContact O-N 2.73Å; L205-V208 HydrophobicContact CD2-CG2 4.33Å; L205-V208 WeakPolarHBondContact O-CG2 3.21Å; L205-V208 PolarHBondContact O-N 3.36Å; L205-V208 VanDerWaalsContact O-N 3.12Å; L205-G209 PolarHBondContact O-N 3.41Å; L205-G209 VanDerWaalsContact O-N 3.08Å; L205-A210 HydrophobicContact CB-CB 3.84Å; L205-A210 WeakPolarHBondContact O-CB 3.33Å; L205-A210 PolarHBondContact O-N 3.01Å; L205-M218 HydrophobicContact CD1-CE 4.49Å; L205-M218 HydrophobicContact CD1-SD 3.97Å; L205-I309 HydrophobicContact CD1-CD1 3.7Å; L205-I309 HydrophobicContact CD1-CG1 3.68Å; L205-I309 HydrophobicContact CD1-CG2 4.43Å; L205-I309 HydrophobicContact CD2-CG1 4.04Å; L205-I309 HydrophobicContact CD2-CG2 4.36Å; L205-L312 HydrophobicContact CD2-CD1 4.3Å
206	E	95.1	Very high	93.5	Very high	61 Å²	61	48.2 Å²	48.2	29%	0.285	24%	0.242	S	C	.	.	H	α-helix	trans	-60.5	-34.3	174.1	-70.9	-175.5	108.5	0	0	112.4	K108 F202 Y204 V208	K108-E206 PolarHBondContact NZ-O 3.38Å; F202-E206 HydrophobicContact CD1-CG 4.06Å; F202-E206 HydrophobicContact CE1-CG 3.67Å; F202-E206 HydrophobicContact CZ-CG 4.3Å; F202-E206 PolarHBondContact O-N 3.13Å; Y204-E206 VanDerWaalsContact C-N 3.3Å; Y204-E206 PolarHBondContact O-N 3.47Å; E206-V208 PolarHBondContact O-N 3.04Å
207	N	92.9	Very high	94	Very high	57 Å²	57	45.4 Å²	45.4	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-31.8	176.9	-71.6	-36.7	0	0	0	112.2	Y204 L205 F323	Y204-N207 WeakPolarHBondContact O-CB 3.31Å; Y204-N207 PolarHBondContact O-N 3.11Å; L205-N207 PolarHBondContact O-N 2.73Å; N207-F323 HydrophobicContact CB-CB 4.32Å; N207-F323 HydrophobicContact CB-CD1 3.64Å; N207-F323 HydrophobicContact CB-CD2 4.41Å; N207-F323 HydrophobicContact CB-CE1 3.97Å; N207-F323 HydrophobicContact CB-CG 3.88Å; N207-F323 HydrophobicContact CB-CZ 4.49Å; N207-F323 WeakPolarHBondContact O-CE1 3.45Å; N207-F323 WeakPolarHBondContact O-CZ 3.29Å
208	V	94.2	Very high	94.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-105.6	-7	-171.8	-62.6	0	0	0	0	114.4	I111 W122 L205 E206 L312 L319 F323 F326	I111-V208 HydrophobicContact CD1-CB 4.19Å; I111-V208 HydrophobicContact CD1-CG1 4Å; I111-V208 HydrophobicContact CG2-CB 4.29Å; W122-V208 HydrophobicContact CH2-CG2 4.5Å; L205-V208 HydrophobicContact CD2-CG2 4.33Å; L205-V208 WeakPolarHBondContact O-CG2 3.21Å; L205-V208 PolarHBondContact O-N 3.36Å; L205-V208 VanDerWaalsContact O-N 3.12Å; E206-V208 PolarHBondContact O-N 3.04Å; V208-L312 HydrophobicContact CG2-CD1 4.02Å; V208-L319 HydrophobicContact CG1-CD1 4.23Å; V208-L319 HydrophobicContact CG1-CD2 4.43Å; V208-F323 HydrophobicContact CG1-CD2 4.17Å; V208-F323 HydrophobicContact CG1-CE2 4.14Å; V208-F326 HydrophobicContact CG1-CD2 3.97Å; V208-F326 HydrophobicContact CG1-CE2 3.66Å; V208-F326 HydrophobicContact CG1-CZ 4.31Å; V208-F326 HydrophobicContact CG2-CE2 3.99Å
209	G	93.9	Very high	94.6	Very high	11 Å²	11	47.1 Å²	47.1	11%	0.113	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	161	-35.8	178.6	0	0	0	0	0	115.2	S125 L205 L211	S125-G209 WeakPolarHBondContact CB-O 3.32Å; L205-G209 PolarHBondContact O-N 3.41Å; L205-G209 VanDerWaalsContact O-N 3.08Å; G209-L211 PolarHBondContact O-N 2.96Å
210	A	96.4	Very high	94.8	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.025	22%	0.216	C	C	.	.			trans	-59.6	140	-167	0	0	0	0	0	111.9	W122 M124 F202 L205	W122-A210 HydrophobicContact CH2-CB 3.82Å; W122-A210 HydrophobicContact CZ2-CB 4.42Å; W122-A210 HydrophobicContact CZ3-CB 4.36Å; M124-A210 HydrophobicContact CB-CB 4.25Å; M124-A210 WeakPolarHBondContact O-CA 2.96Å; F202-A210 HydrophobicContact CE2-CB 3.96Å; F202-A210 HydrophobicContact CZ-CB 4.14Å; L205-A210 HydrophobicContact CB-CB 3.84Å; L205-A210 WeakPolarHBondContact O-CB 3.33Å; L205-A210 PolarHBondContact O-N 3.01Å
211	L	96.5	Very high	95.1	Very high	62 Å²	62	40.1 Å²	40.1	33%	0.325	21%	0.208	S	C	.	.			trans	-97.3	130.6	175.8	-58.4	179.3	0	0	0	108.7	M124 F202 G209 S213 N214	M124-L211 PolarHBondContact O-N 3.45Å; F202-L211 WeakPolarHBondContact CZ-O 3.41Å; G209-L211 PolarHBondContact O-N 2.96Å; L211-S213 PolarHBondContact O-N 3.35Å; L211-N214 WeakPolarHBondContact O-CB 3.15Å; L211-N214 PolarHBondContact O-N 3.44Å
212	K	95.5	Very high	95.2	Very high	112 Å²	112	41 Å²	41	49%	0.487	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-52.6	-30.8	179.5	-170.9	60	169	177.4	0	113.8	F202 N214 E215	F202-K212 HydrophobicContact CE1-CD 3.8Å; K212-N214 PolarHBondContact O-N 2.87Å; K212-E215 WeakPolarHBondContact CD-OE2 3.5Å; K212-E215 WeakPolarHBondContact CE-OE2 3.2Å; K212-E215 IonicContact NZ-OE1 2.69Å; K212-E215 PolarHBondContact NZ-OE1 2.7Å; K212-E215 IonicContact NZ-OE2 3.72Å; K212-E215 PolarHBondContact NZ-OE2 3.04Å; K212-E215 WeakPolarHBondContact O-CB 3.5Å; K212-E215 PolarHBondContact O-N 2.97Å
213	S	95.1	Very high	95.3	Very high	89 Å²	89	45.6 Å²	45.6	62%	0.622	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-60.9	-21.9	175	55.4	0	0	0	0	114.2	L211	L211-S213 PolarHBondContact O-N 3.35Å
214	N	96	Very high	95.5	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.043	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-103.6	11.2	-176.4	-57.4	-25.6	0	0	0	112.6	L123 M124 S126 Q131 L211 K212 N216 M217	L123-N214 PolarHBondContact O-ND2 3.49Å; M124-N214 HydrophobicContact CB-CB 4.49Å; M124-N214 PolarHBondContact O-ND2 3.14Å; S126-N214 PolarHBondContact O-ND2 3.41Å; Q131-N214 VanDerWaalsContact NE2-CG 3.29Å; Q131-N214 PolarHBondContact NE2-ND2 3.2Å; Q131-N214 VanDerWaalsContact NE2-ND2 3.18Å; Q131-N214 PolarHBondContact NE2-OD1 2.91Å; L211-N214 WeakPolarHBondContact O-CB 3.15Å; L211-N214 PolarHBondContact O-N 3.44Å; K212-N214 PolarHBondContact O-N 2.87Å; N214-N216 PolarHBondContact O-N 3.16Å; N214-M217 HydrophobicContact CB-CE 4.12Å; N214-M217 HydrophobicContact CB-CG 4.45Å; N214-M217 HydrophobicContact CB-SD 4.07Å; N214-M217 VanDerWaalsContact O-CB 3.31Å; N214-M217 WeakPolarHBondContact O-CB 3.36Å; N214-M217 WeakPolarHBondContact O-CG 3.18Å; N214-M217 PolarHBondContact O-N 3.39Å; N214-M217 VanDerWaalsContact O-N 3.11Å
215	E	95.3	Very high	95.6	Very high	54 Å²	54	38.6 Å²	38.6	25%	0.252	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.1	-179.8	-179.5	171.8	-143.6	0	0	113.2	F202 K212 M217 M218	F202-E215 HydrophobicContact CD1-CB 4.03Å; F202-E215 HydrophobicContact CD1-CG 3.74Å; F202-E215 HydrophobicContact CD2-CB 4.29Å; F202-E215 HydrophobicContact CD2-CG 4.22Å; F202-E215 HydrophobicContact CE1-CB 3.66Å; F202-E215 HydrophobicContact CE1-CG 3.91Å; F202-E215 VanDerWaalsContact CE2-CA 3.43Å; F202-E215 HydrophobicContact CE2-CB 3.93Å; F202-E215 HydrophobicContact CE2-CG 4.36Å; F202-E215 HydrophobicContact CG-CB 4.33Å; F202-E215 HydrophobicContact CG-CG 3.89Å; F202-E215 HydrophobicContact CZ-CB 3.59Å; F202-E215 HydrophobicContact CZ-CG 4.21Å; K212-E215 WeakPolarHBondContact CD-OE2 3.5Å; K212-E215 WeakPolarHBondContact CE-OE2 3.2Å; K212-E215 IonicContact NZ-OE1 2.69Å; K212-E215 PolarHBondContact NZ-OE1 2.7Å; K212-E215 IonicContact NZ-OE2 3.72Å; K212-E215 PolarHBondContact NZ-OE2 3.04Å; K212-E215 WeakPolarHBondContact O-CB 3.5Å; K212-E215 PolarHBondContact O-N 2.97Å; E215-M217 PolarHBondContact O-N 3.3Å; E215-M217 VanDerWaalsContact O-N 3.12Å; E215-M218 VanDerWaalsContact O-CB 3.24Å; E215-M218 WeakPolarHBondContact O-CB 3.32Å; E215-M218 WeakPolarHBondContact O-CG 3.33Å; E215-M218 PolarHBondContact O-N 3Å
216	N	95.1	Very high	95.5	Very high	107 Å²	107	40.5 Å²	40.5	57%	0.572	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.6	176.2	64.9	-23.6	0	0	0	113.5	N214 M218 D219	N214-N216 PolarHBondContact O-N 3.16Å; N216-M218 PolarHBondContact O-N 3.48Å; N216-M218 VanDerWaalsContact O-N 3.16Å; N216-D219 WeakPolarHBondContact O-CB 3.44Å; N216-D219 PolarHBondContact O-N 2.82Å; N216-D219 VanDerWaalsContact O-N 3.13Å
217	M	95.8	Very high	95.6	Very high	34 Å²	34	40 Å²	40	17%	0.167	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-19.2	175.7	-60.2	-175.1	-178.3	0	0	112.5	L123 M124 N214 E215 D219	L123-M217 HydrophobicContact CB-CE 4.31Å; L123-M217 HydrophobicContact CB-SD 3.82Å; M124-M217 HydrophobicContact CE-CB 3.8Å; M124-M217 HydrophobicContact CG-CB 4.27Å; M124-M217 HydrophobicContact CG-SD 4.12Å; N214-M217 HydrophobicContact CB-CE 4.12Å; N214-M217 HydrophobicContact CB-CG 4.45Å; N214-M217 HydrophobicContact CB-SD 4.07Å; N214-M217 VanDerWaalsContact O-CB 3.31Å; N214-M217 WeakPolarHBondContact O-CB 3.36Å; N214-M217 WeakPolarHBondContact O-CG 3.18Å; N214-M217 PolarHBondContact O-N 3.39Å; N214-M217 VanDerWaalsContact O-N 3.11Å; E215-M217 PolarHBondContact O-N 3.3Å; E215-M217 VanDerWaalsContact O-N 3.12Å; M217-D219 VanDerWaalsContact C-N 3.25Å; M217-D219 PolarHBondContact O-N 3.48Å
218	M	96	Very high	95.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-67.1	-24.7	175.6	-70.4	-61.9	-60.6	0	0	113.1	M124 K198 I201 F202 L205 E215 N216 V221 F222 I309	M124-M218 HydrophobicContact CE-CG 3.94Å; M124-M218 HydrophobicContact CE-SD 3.29Å; M124-M218 WeakPolarHBondContact CE-SD 3.01Å; M124-M218 HydrophobicContact SD-SD 3.94Å; K198-M218 HydrophobicContact CD-CB 3.92Å; K198-M218 HydrophobicContact CG-CB 3.73Å; K198-M218 HydrophobicContact CG-CE 4.29Å; I201-M218 HydrophobicContact CB-CE 4.49Å; I201-M218 HydrophobicContact CG2-CE 3.84Å; F202-M218 HydrophobicContact CB-CG 4.19Å; F202-M218 HydrophobicContact CD2-CG 3.56Å; F202-M218 HydrophobicContact CD2-SD 4.22Å; F202-M218 HydrophobicContact CE2-CG 4.42Å; F202-M218 HydrophobicContact CG-CG 4.24Å; L205-M218 HydrophobicContact CD1-CE 4.49Å; L205-M218 HydrophobicContact CD1-SD 3.97Å; E215-M218 VanDerWaalsContact O-CB 3.24Å; E215-M218 WeakPolarHBondContact O-CB 3.32Å; E215-M218 WeakPolarHBondContact O-CG 3.33Å; E215-M218 PolarHBondContact O-N 3Å; N216-M218 PolarHBondContact O-N 3.48Å; N216-M218 VanDerWaalsContact O-N 3.16Å; M218-V221 PolarHBondContact O-N 2.88Å; M218-F222 HydrophobicContact CE-CD2 3.76Å; M218-F222 HydrophobicContact CE-CE2 3.38Å; M218-F222 WeakPolarHBondContact O-CB 3.47Å; M218-F222 WeakPolarHBondContact O-CD2 3.39Å; M218-F222 PolarHBondContact O-N 2.9Å; M218-I309 HydrophobicContact CE-CD1 4.36Å; M218-I309 HydrophobicContact SD-CD1 3.87Å
219	D	96.2	Very high	95.7	Very high	87 Å²	87	38.7 Å²	38.7	47%	0.465	21%	0.206	S	C	.	.	H	α-helix	trans	-61.2	-48.9	179.8	-68	-32.1	0	0	0	111	K198 N216 M217 V221 F222 E223	K198-D219 IonicContact NZ-OD1 2.68Å; K198-D219 PolarHBondContact NZ-OD1 3.26Å; N216-D219 WeakPolarHBondContact O-CB 3.44Å; N216-D219 PolarHBondContact O-N 2.82Å; N216-D219 VanDerWaalsContact O-N 3.13Å; M217-D219 VanDerWaalsContact C-N 3.25Å; M217-D219 PolarHBondContact O-N 3.48Å; D219-V221 VanDerWaalsContact C-N 3.35Å; D219-V221 PolarHBondContact O-N 2.9Å; D219-F222 PolarHBondContact O-N 3.5Å; D219-E223 PolarHBondContact O-N 2.82Å
220	G	96.3	Very high	95.7	Very high	6 Å²	6	42.9 Å²	42.9	6%	0.062	23%	0.226	C	C	.	.	H	α-helix	trans	-68.2	-31.1	177.4	0	0	0	0	0	113.8	L224 N302	G220-L224 PolarHBondContact O-N 2.89Å; G220-N302 VanDerWaalsContact C-CG 3.41Å; G220-N302 VanDerWaalsContact CA-ND2 3.33Å; G220-N302 WeakPolarHBondContact CA-ND2 3.49Å; G220-N302 PolarHBondContact O-ND2 3.4Å
221	V	97	Very high	95.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-43.2	172.9	174.4	0	0	0	0	110.8	M124 F182 M218 D219 L224 Y225 N305 M306 I309	M124-V221 HydrophobicContact CE-CG2 3.98Å; F182-V221 HydrophobicContact CD1-CG1 4.33Å; F182-V221 HydrophobicContact CE1-CG1 3.57Å; F182-V221 HydrophobicContact CZ-CG1 4.05Å; M218-V221 PolarHBondContact O-N 2.88Å; D219-V221 VanDerWaalsContact C-N 3.35Å; D219-V221 PolarHBondContact O-N 2.9Å; V221-L224 PolarHBondContact O-N 3.36Å; V221-Y225 WeakPolarHBondContact O-CB 3.38Å; V221-Y225 PolarHBondContact O-N 2.89Å; V221-N305 HydrophobicContact CG2-CB 3.55Å; V221-M306 HydrophobicContact CG1-CB 4.25Å; V221-I309 HydrophobicContact CG1-CD1 4.2Å
222	F	95.8	Very high	95.1	Very high	17 Å²	17	43.4 Å²	43.4	8%	0.075	23%	0.227	C	C	.	.	H	α-helix	trans	-71.2	-34.3	179.3	-94.8	-105.5	0	0	0	112.8	F182 V197 K198 I201 M218 D219 Y225 S226	F182-F222 HydrophobicContact CD1-CE2 4.2Å; V197-F222 HydrophobicContact CB-CE1 4.47Å; V197-F222 HydrophobicContact CG1-CE1 4.01Å; V197-F222 HydrophobicContact CG1-CZ 3.97Å; K198-F222 HydrophobicContact CB-CD1 4.04Å; K198-F222 HydrophobicContact CB-CD2 3.91Å; K198-F222 HydrophobicContact CB-CE1 3.81Å; K198-F222 HydrophobicContact CB-CE2 3.68Å; K198-F222 HydrophobicContact CB-CG 4.08Å; K198-F222 HydrophobicContact CB-CZ 3.62Å; K198-F222 HydrophobicContact CD-CB 4.45Å; K198-F222 HydrophobicContact CD-CD2 4.13Å; K198-F222 HydrophobicContact CD-CG 4.19Å; K198-F222 HydrophobicContact CG-CD2 3.61Å; K198-F222 HydrophobicContact CG-CE2 3.71Å; K198-F222 HydrophobicContact CG-CG 4.04Å; K198-F222 HydrophobicContact CG-CZ 4.2Å; I201-F222 HydrophobicContact CD1-CE2 4.37Å; I201-F222 HydrophobicContact CD1-CZ 3.85Å; M218-F222 HydrophobicContact CE-CD2 3.76Å; M218-F222 HydrophobicContact CE-CE2 3.38Å; M218-F222 WeakPolarHBondContact O-CB 3.47Å; M218-F222 WeakPolarHBondContact O-CD2 3.39Å; M218-F222 PolarHBondContact O-N 2.9Å; D219-F222 PolarHBondContact O-N 3.5Å; F222-Y225 HydrophobicContact CD1-CD1 4.19Å; F222-Y225 HydrophobicContact CE1-CD1 4.43Å; F222-Y225 WeakPolarHBondContact O-CB 3.32Å; F222-Y225 PolarHBondContact O-N 2.8Å; F222-S226 PolarHBondContact O-N 3.16Å; F222-S226 PolarHBondContact O-OG 3.04Å; F222-S226 VanDerWaalsContact O-OG 3.1Å
223	E	96.1	Very high	94.8	Very high	99 Å²	99	45.1 Å²	45.1	46%	0.463	24%	0.235	S	C	.	.	H	α-helix	trans	-58.1	-49.8	170.3	-172.7	-169.4	138.4	0	0	111	D219 Y225 S226 E227 K293	D219-E223 PolarHBondContact O-N 2.82Å; E223-Y225 VanDerWaalsContact C-N 3.35Å; E223-Y225 PolarHBondContact O-N 3.33Å; E223-S226 PolarHBondContact O-N 2.85Å; E223-E227 PolarHBondContact O-N 3.49Å; E223-K293 IonicContact OE1-NZ 3.21Å; E223-K293 PolarHBondContact OE1-NZ 3.03Å
224	L	96.8	Very high	94.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-42.7	176.5	178.9	58.6	0	0	0	111.9	G220 V221 S226 E227 L228 I289 K293 I303 M306	G220-L224 PolarHBondContact O-N 2.89Å; V221-L224 PolarHBondContact O-N 3.36Å; L224-S226 PolarHBondContact O-N 2.95Å; L224-E227 PolarHBondContact O-N 3.01Å; L224-L228 HydrophobicContact CD1-CD1 4.27Å; L224-L228 HydrophobicContact CD1-CG 4.27Å; L224-L228 HydrophobicContact CG-CD1 4.21Å; L224-L228 WeakPolarHBondContact O-CG 3.43Å; L224-L228 PolarHBondContact O-N 2.88Å; L224-I289 HydrophobicContact CD1-CG2 3.83Å; L224-K293 HydrophobicContact CD1-CG 4.25Å; L224-I303 HydrophobicContact CD2-CG1 3.8Å; L224-M306 HydrophobicContact CB-CE 4.24Å; L224-M306 HydrophobicContact CD2-CB 4.42Å; L224-M306 HydrophobicContact CD2-CE 4.2Å; L224-M306 HydrophobicContact CD2-SD 3.69Å; L224-M306 HydrophobicContact CG-CE 3.94Å; L224-M306 HydrophobicContact CG-SD 3.93Å
225	Y	95.5	Very high	93.2	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-46.7	174.4	161.3	-107	0	0	0	111.9	L179 F182 V221 F222 E223 E227 L228 K229	L179-Y225 HydrophobicContact CB-CD2 3.98Å; L179-Y225 HydrophobicContact CB-CE2 3.71Å; L179-Y225 HydrophobicContact CD1-CD2 4Å; L179-Y225 HydrophobicContact CD1-CE2 4.05Å; L179-Y225 HydrophobicContact CD2-CD2 4.29Å; L179-Y225 HydrophobicContact CG-CD2 4.33Å; L179-Y225 HydrophobicContact CG-CE2 4.4Å; F182-Y225 HydrophobicContact CB-CD1 4.23Å; F182-Y225 HydrophobicContact CB-CD2 3.37Å; F182-Y225 HydrophobicContact CB-CE1 4.29Å; F182-Y225 HydrophobicContact CB-CE2 3.43Å; F182-Y225 VanDerWaalsContact CB-CE2 3.43Å; F182-Y225 HydrophobicContact CB-CG 3.76Å; F182-Y225 HydrophobicContact CD2-CD2 4.12Å; F182-Y225 AromaticContact CG-CD2 3.96Å; F182-Y225 HydrophobicContact CG-CD2 3.96Å; F182-Y225 HydrophobicContact CG-CE2 4.45Å; F182-Y225 HydrophobicContact CG-CG 4.25Å; F182-Y225 PolarHBondContact O-OH 3.48Å; V221-Y225 WeakPolarHBondContact O-CB 3.38Å; V221-Y225 PolarHBondContact O-N 2.89Å; F222-Y225 HydrophobicContact CD1-CD1 4.19Å; F222-Y225 HydrophobicContact CE1-CD1 4.43Å; F222-Y225 WeakPolarHBondContact O-CB 3.32Å; F222-Y225 PolarHBondContact O-N 2.8Å; E223-Y225 VanDerWaalsContact C-N 3.35Å; E223-Y225 PolarHBondContact O-N 3.33Å; Y225-E227 PolarHBondContact O-N 2.97Å; Y225-L228 PolarHBondContact O-N 3.38Å; Y225-K229 HydrophobicContact CE1-CD 4.05Å; Y225-K229 HydrophobicContact CE2-CB 4.42Å; Y225-K229 HydrophobicContact CE2-CD 4.25Å; Y225-K229 VanDerWaalsContact O-CB 3.25Å; Y225-K229 WeakPolarHBondContact O-CB 3.29Å; Y225-K229 PolarHBondContact O-N 3.21Å; Y225-K229 WeakPolarHBondContact OH-CD 3.47Å; Y225-K229 WeakPolarHBondContact OH-CE 3.36Å; Y225-K229 PolarHBondContact OH-NZ 2.91Å
226	S	94.6	Very high	92.1	Very high	40 Å²	40	47.8 Å²	47.8	28%	0.28	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-41.6	178.9	-65.6	0	0	0	0	112.1	F222 E223 L224 K229 N230	F222-S226 PolarHBondContact O-N 3.16Å; F222-S226 PolarHBondContact O-OG 3.04Å; F222-S226 VanDerWaalsContact O-OG 3.1Å; E223-S226 PolarHBondContact O-N 2.85Å; L224-S226 PolarHBondContact O-N 2.95Å; S226-K229 PolarHBondContact O-N 3.46Å; S226-N230 WeakPolarHBondContact O-CB 3.47Å; S226-N230 PolarHBondContact O-N 3.48Å; S226-N230 PolarHBondContact O-ND2 3.36Å; S226-N230 VanDerWaalsContact O-ND2 3.16Å
227	E	96.1	Very high	90.8	Very high	51 Å²	51	54.3 Å²	54.3	24%	0.238	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-49.6	174.9	-72.2	178.3	-146.7	0	0	111.7	E223 L224 Y225 N230 V231 I289 K293	E223-E227 PolarHBondContact O-N 3.49Å; L224-E227 PolarHBondContact O-N 3.01Å; Y225-E227 PolarHBondContact O-N 2.97Å; E227-N230 PolarHBondContact O-N 3.4Å; E227-V231 PolarHBondContact O-N 3.24Å; E227-I289 HydrophobicContact CB-CD1 4.06Å; E227-I289 HydrophobicContact CB-CG2 4.46Å; E227-I289 WeakPolarHBondContact OE2-CG2 3.36Å; E227-K293 WeakPolarHBondContact OE1-CE 3.34Å; E227-K293 IonicContact OE1-NZ 2.78Å; E227-K293 PolarHBondContact OE1-NZ 3.36Å; E227-K293 VanDerWaalsContact OE2-CE 3.28Å; E227-K293 WeakPolarHBondContact OE2-CE 3.49Å; E227-K293 IonicContact OE2-NZ 3.6Å
228	L	95.5	Very high	89.6	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-42.8	178.9	-66	175.4	0	0	0	112.1	L162 L179 L224 Y225 N230 V231 Q232 T286 I289 M306	L162-L228 HydrophobicContact CD2-CD1 3.72Å; L179-L228 HydrophobicContact CD1-CB 4Å; L179-L228 HydrophobicContact CD2-CB 4.21Å; L179-L228 HydrophobicContact CD2-CD1 4.18Å; L224-L228 HydrophobicContact CD1-CD1 4.27Å; L224-L228 HydrophobicContact CD1-CG 4.27Å; L224-L228 HydrophobicContact CG-CD1 4.21Å; L224-L228 WeakPolarHBondContact O-CG 3.43Å; L224-L228 PolarHBondContact O-N 2.88Å; Y225-L228 PolarHBondContact O-N 3.38Å; L228-N230 VanDerWaalsContact C-N 3.3Å; L228-N230 PolarHBondContact O-N 3.47Å; L228-V231 WeakPolarHBondContact O-CB 3.29Å; L228-V231 PolarHBondContact O-N 3.37Å; L228-Q232 WeakPolarHBondContact O-CG 3.41Å; L228-Q232 PolarHBondContact O-N 2.91Å; L228-T286 HydrophobicContact CD2-CG2 3.85Å; L228-I289 HydrophobicContact CD2-CD1 4.42Å; L228-I289 HydrophobicContact CD2-CG2 4.4Å; L228-M306 HydrophobicContact CD1-CE 4.21Å; L228-M306 HydrophobicContact CD1-SD 3.84Å
229	K	93.4	Very high	88.8	Confident	26 Å²	26	63.7 Å²	63.7	11%	0.113	32%	0.324	C	S	.	.	H	α-helix	trans	-60.5	-40.8	177.2	-171.8	-178.4	-162.1	167.2	0	111.4	L179 D183 Y225 S226 V231 Q232 K233	L179-K229 HydrophobicContact CD1-CB 3.9Å; D183-K229 IonicContact OD1-NZ 2.9Å; Y225-K229 HydrophobicContact CE1-CD 4.05Å; Y225-K229 HydrophobicContact CE2-CB 4.42Å; Y225-K229 HydrophobicContact CE2-CD 4.25Å; Y225-K229 VanDerWaalsContact O-CB 3.25Å; Y225-K229 WeakPolarHBondContact O-CB 3.29Å; Y225-K229 PolarHBondContact O-N 3.21Å; Y225-K229 WeakPolarHBondContact OH-CD 3.47Å; Y225-K229 WeakPolarHBondContact OH-CE 3.36Å; Y225-K229 PolarHBondContact OH-NZ 2.91Å; S226-K229 PolarHBondContact O-N 3.46Å; K229-V231 VanDerWaalsContact C-N 3.34Å; K229-Q232 PolarHBondContact O-N 3.08Å; K229-K233 HydrophobicContact CG-CD 4.4Å; K229-K233 WeakPolarHBondContact O-CG 3.31Å; K229-K233 PolarHBondContact O-N 3.44Å
230	N	93.8	Very high	88.3	Confident	99 Å²	99	62.9 Å²	62.9	53%	0.529	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-37.8	177.8	-73.8	-23.2	0	0	0	111.9	S226 E227 L228 K233 A234	S226-N230 WeakPolarHBondContact O-CB 3.47Å; S226-N230 PolarHBondContact O-N 3.48Å; S226-N230 PolarHBondContact O-ND2 3.36Å; S226-N230 VanDerWaalsContact O-ND2 3.16Å; E227-N230 PolarHBondContact O-N 3.4Å; L228-N230 VanDerWaalsContact C-N 3.3Å; L228-N230 PolarHBondContact O-N 3.47Å; N230-K233 PolarHBondContact O-N 3.35Å; N230-A234 VanDerWaalsContact O-CB 3.24Å; N230-A234 WeakPolarHBondContact O-CB 3.47Å; N230-A234 PolarHBondContact O-N 2.96Å
231	V	92.7	Very high	88.1	Confident	10 Å²	10	66.9 Å²	66.9	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-61.8	-47.9	172.7	174.1	0	0	0	0	110.8	E227 L228 K229 K233 A234 T235 A282 R285 I289	E227-V231 PolarHBondContact O-N 3.24Å; L228-V231 WeakPolarHBondContact O-CB 3.29Å; L228-V231 PolarHBondContact O-N 3.37Å; K229-V231 VanDerWaalsContact C-N 3.34Å; V231-K233 VanDerWaalsContact C-N 3.33Å; V231-K233 PolarHBondContact O-N 3.41Å; V231-A234 PolarHBondContact O-N 3.34Å; V231-T235 PolarHBondContact O-N 3.11Å; V231-T235 PolarHBondContact O-OG1 3.34Å; V231-A282 HydrophobicContact CG1-CB 4.03Å; V231-A282 WeakPolarHBondContact CG1-O 3.35Å; V231-R285 HydrophobicContact CG1-CB 3.81Å; V231-R285 HydrophobicContact CG2-CB 3.84Å; V231-I289 HydrophobicContact CG2-CD1 3.54Å
232	Q	89.6	Confident	87.9	Confident	66 Å²	66	75.2 Å²	75.2	31%	0.308	37%	0.371	S	S	.	.	H	α-helix	trans	-61.7	-38.5	179.4	-66.8	-176.5	0.3	0	0	112.6	G177 L228 K229	G177-Q232 PolarHBondContact O-NE2 2.85Å; L228-Q232 WeakPolarHBondContact O-CG 3.41Å; L228-Q232 PolarHBondContact O-N 2.91Å; K229-Q232 PolarHBondContact O-N 3.08Å
233	K	87.6	Confident	87.8	Confident	148 Å²	148	75.4 Å²	75.4	64%	0.643	37%	0.373	S	S	*	.	H	α-helix	trans	-74.8	-36.4	178.6	-74.6	-177.4	174.7	-173	0	114.5	K229 N230 V231 T235	K229-K233 HydrophobicContact CG-CD 4.4Å; K229-K233 WeakPolarHBondContact O-CG 3.31Å; K229-K233 PolarHBondContact O-N 3.44Å; N230-K233 PolarHBondContact O-N 3.35Å; V231-K233 VanDerWaalsContact C-N 3.33Å; V231-K233 PolarHBondContact O-N 3.41Å; K233-T235 PolarHBondContact O-N 2.86Å
234	A	84.5	Confident	87.6	Confident	57 Å²	57	73.7 Å²	73.7	47%	0.471	37%	0.372	S	S	.	.	H	α-helix	trans	-73.2	-13.3	-177.7	0	0	0	0	0	112.9	N230 V231 V236	N230-A234 VanDerWaalsContact O-CB 3.24Å; N230-A234 WeakPolarHBondContact O-CB 3.47Å; N230-A234 PolarHBondContact O-N 2.96Å; V231-A234 PolarHBondContact O-N 3.34Å; A234-V236 PolarHBondContact O-N 3.06Å
235	T	74.7	Confident	87.3	Confident	30 Å²	30	75.8 Å²	75.8	18%	0.184	38%	0.382	C	S	.	.			trans	-82.6	116.6	-175.9	-58.8	0	0	0	0	110.2	V231 K233 S279 A282	V231-T235 PolarHBondContact O-N 3.11Å; V231-T235 PolarHBondContact O-OG1 3.34Å; K233-T235 PolarHBondContact O-N 2.86Å; T235-S279 WeakPolarHBondContact CG2-OG 3.01Å; T235-A282 HydrophobicContact CG2-CB 3.99Å; T235-A282 WeakPolarHBondContact OG1-CB 3.3Å
236	V	70.9	Confident	87.1	Confident	119 Å²	119	82.5 Å²	82.5	72%	0.721	41%	0.413	S	S	*	.			trans	-71.4	143.5	168.5	-178.9	0	0	0	0	108.5	A234 S238	A234-V236 PolarHBondContact O-N 3.06Å; V236-S238 PolarHBondContact O-N 2.95Å
237	Y	68.5	Low	87.1	Confident	244 Å²	244	82.9 Å²	82.9	96%	0.957	41%	0.409	S	S	*	.			trans	-46.5	110.9	171.5	-90.1	-81.9	0	0	0	110.1
238	S	70.8	Confident	86.9	Confident	51 Å²	51	80.4 Å²	80.4	36%	0.357	40%	0.397	S	S	.	.			trans	-108.1	145.9	176.4	54.7	0	0	0	0	109.5	V236 Q278 S279	V236-S238 PolarHBondContact O-N 2.95Å; S238-Q278 PolarHBondContact OG-O 2.69Å; S238-S279 WeakPolarHBondContact OG-CA 3.37Å
239	E	79.1	Confident	86.8	Confident	181 Å²	181	83 Å²	83	85%	0.846	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-63.8	144.3	171.2	-69.3	-175.4	171.8	0	0	110.6	K241	E239-K241 PolarHBondContact O-N 3.41Å
240	P	86.2	Confident	86.8	Confident	70 Å²	70	85.9 Å²	85.9	46%	0.455	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-58.9	128.9	176.8	-3.7	6.2	0	0	0	111.4
241	K	91.1	Very high	86.8	Confident	91 Å²	91	82.2 Å²	82.2	40%	0.396	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.8	178.5	-173.4	178.8	-176.5	179.5	0	110.8	E239 V243 T276 I277 E280	E239-K241 PolarHBondContact O-N 3.41Å; K241-V243 HydrophobicContact CD-CG1 4.4Å; K241-V243 HydrophobicContact CG-CG1 4.23Å; K241-T276 CarbonylContact O-C 3.55Å; K241-T276 VanDerWaalsContact O-CA 3.27Å; K241-T276 WeakPolarHBondContact O-CA 3.34Å; K241-I277 PolarHBondContact N-O 2.67Å; K241-I277 PolarHBondContact O-N 3.02Å; K241-E280 HydrophobicContact CD-CB 4.37Å; K241-E280 VanDerWaalsContact CD-CD 3.47Å; K241-E280 HydrophobicContact CD-CG 4.36Å; K241-E280 WeakPolarHBondContact CD-OE2 3.28Å; K241-E280 WeakPolarHBondContact CE-OE2 3.48Å; K241-E280 IonicContact NZ-OE1 3.41Å; K241-E280 PolarHBondContact NZ-OE1 2.88Å; K241-E280 IonicContact NZ-OE2 2.62Å; K241-E280 PolarHBondContact NZ-OE2 2.87Å
242	R	93	Very high	86.9	Confident	175 Å²	175	81.7 Å²	81.7	66%	0.66	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	132.5	167.7	-67.4	-178.6	-177.8	-138.9	-5.2	110.1	E274 F275 T276	R242-E274 IonicContact CZ-OE2 2.87Å; R242-E274 IonicContact NH1-OE1 2.71Å; R242-E274 PolarHBondContact NH1-OE1 2.8Å; R242-E274 IonicContact NH1-OE2 3.74Å; R242-E274 PolarHBondContact NH1-OE2 3.26Å; R242-E274 IonicContact NH2-OE2 2.53Å; R242-F275 WeakPolarHBondContact CA-O 3.28Å; R242-T276 HydrophobicContact CG-CG2 3.89Å
243	V	93	Very high	87.1	Confident	21 Å²	21	82 Å²	82	13%	0.127	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.9	-178.7	-63	0	0	0	0	111.3	K241 Y247 L248 F275 I277	K241-V243 HydrophobicContact CD-CG1 4.4Å; K241-V243 HydrophobicContact CG-CG1 4.23Å; V243-Y247 HydrophobicContact CB-CD1 3.74Å; V243-Y247 HydrophobicContact CB-CE1 4.45Å; V243-Y247 HydrophobicContact CB-CG 4.19Å; V243-Y247 HydrophobicContact CG1-CD1 3.72Å; V243-Y247 HydrophobicContact CG1-CE1 3.94Å; V243-Y247 HydrophobicContact CG1-CG 4.33Å; V243-Y247 HydrophobicContact CG2-CD1 4.3Å; V243-L248 HydrophobicContact CG2-CD2 4.02Å; V243-L248 HydrophobicContact CG2-CG 4.34Å; V243-F275 HydrophobicContact CG2-CB 3.89Å; V243-F275 PolarHBondContact N-O 3.47Å; V243-I277 HydrophobicContact CB-CD1 4.46Å; V243-I277 HydrophobicContact CG1-CD1 3.98Å; V243-I277 HydrophobicContact CG1-CG1 4.46Å; V243-I277 HydrophobicContact CG2-CD1 3.84Å; V243-I277 HydrophobicContact CG2-CG1 3.93Å
244	S	92.4	Very high	87.4	Confident	63 Å²	63	76.8 Å²	76.8	44%	0.441	40%	0.398	S	S	.	.			trans	-84.7	159.4	172.9	65.8	0	0	0	0	111.1	E246 Y247 L248	S244-E246 VanDerWaalsContact C-N 3.26Å; S244-E246 PolarHBondContact O-N 3.09Å; S244-Y247 WeakPolarHBondContact O-CB 3.14Å; S244-Y247 PolarHBondContact O-N 3.35Å; S244-Y247 VanDerWaalsContact O-N 3.14Å; S244-Y247 WeakPolarHBondContact OG-CB 3.37Å; S244-Y247 PolarHBondContact OG-N 3.07Å; S244-Y247 VanDerWaalsContact OG-N 3.11Å; S244-L248 PolarHBondContact O-N 3.09Å
245	H	90.3	Very high	88	Confident	44 Å²	44	74.2 Å²	74.2	20%	0.204	38%	0.376	C	S	.	.	H	α-helix	trans	-57.5	-40.6	170.6	-176.4	-99.7	0	0	0	111.9	Y247 L248 T249 D258 F275	H245-Y247 VanDerWaalsContact C-N 3.28Å; H245-Y247 PolarHBondContact O-N 3.3Å; H245-L248 WeakPolarHBondContact O-CB 3.46Å; H245-L248 PolarHBondContact O-N 3.05Å; H245-L248 VanDerWaalsContact O-N 3.13Å; H245-T249 PolarHBondContact O-N 3.24Å; H245-T249 PolarHBondContact O-OG1 2.92Å; H245-D258 IonicContact CE1-OD1 2.66Å; H245-D258 PolarHBondContact CE1-OD1 3.42Å; H245-D258 IonicContact CE1-OD2 3.75Å; H245-D258 IonicContact NE2-OD1 3.91Å; H245-D258 PolarHBondContact NE2-OD1 3.2Å; H245-F275 HydrophobicContact CB-CD2 4.41Å; H245-F275 HydrophobicContact CB-CE2 3.93Å
246	E	92.2	Very high	89	Confident	144 Å²	144	76.5 Å²	76.5	67%	0.673	39%	0.387	S	S	*	.	H	α-helix	trans	-59.8	-37.4	175.7	-175.1	179	-175.7	0	0	112.4	S244 L248 T249 T250	S244-E246 VanDerWaalsContact C-N 3.26Å; S244-E246 PolarHBondContact O-N 3.09Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L248 PolarHBondContact O-N 3.29Å; E246-T249 PolarHBondContact O-N 3.32Å; E246-T250 HydrophobicContact CG-CG2 4.29Å; E246-T250 WeakPolarHBondContact O-CB 3.4Å; E246-T250 VanDerWaalsContact O-CG2 3.31Å; E246-T250 WeakPolarHBondContact O-CG2 3.24Å; E246-T250 PolarHBondContact O-N 3.43Å; E246-T250 PolarHBondContact O-OG1 2.89Å
247	Y	93.3	Very high	90	Very high	47 Å²	47	71 Å²	71	18%	0.184	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-39.2	175.8	179.2	-87.8	0	0	0	112.1	V243 S244 H245 T250 T251 I277 E280 Q284	V243-Y247 HydrophobicContact CB-CD1 3.74Å; V243-Y247 HydrophobicContact CB-CE1 4.45Å; V243-Y247 HydrophobicContact CB-CG 4.19Å; V243-Y247 HydrophobicContact CG1-CD1 3.72Å; V243-Y247 HydrophobicContact CG1-CE1 3.94Å; V243-Y247 HydrophobicContact CG1-CG 4.33Å; V243-Y247 HydrophobicContact CG2-CD1 4.3Å; S244-Y247 WeakPolarHBondContact O-CB 3.14Å; S244-Y247 PolarHBondContact O-N 3.35Å; S244-Y247 VanDerWaalsContact O-N 3.14Å; S244-Y247 WeakPolarHBondContact OG-CB 3.37Å; S244-Y247 PolarHBondContact OG-N 3.07Å; S244-Y247 VanDerWaalsContact OG-N 3.11Å; H245-Y247 VanDerWaalsContact C-N 3.28Å; H245-Y247 PolarHBondContact O-N 3.3Å; Y247-T250 WeakPolarHBondContact CA-OG1 3.25Å; Y247-T250 PolarHBondContact O-OG1 3.24Å; Y247-T250 VanDerWaalsContact O-OG1 3.07Å; Y247-T251 WeakPolarHBondContact CE1-OG1 3.24Å; Y247-T251 WeakPolarHBondContact O-CB 3.13Å; Y247-T251 PolarHBondContact O-N 3.43Å; Y247-T251 PolarHBondContact O-OG1 2.97Å; Y247-I277 HydrophobicContact CD1-CD1 4.3Å; Y247-I277 HydrophobicContact CE1-CD1 3.92Å; Y247-E280 VanDerWaalsContact CZ-OE1 3.29Å; Y247-E280 VanDerWaalsContact OH-CD 3.31Å; Y247-E280 VanDerWaalsContact OH-CG 3.26Å; Y247-E280 WeakPolarHBondContact OH-CG 3.43Å; Y247-E280 PolarHBondContact OH-OE1 2.84Å; Y247-Q284 PolarHBondContact OH-NE2 2.85Å
248	L	92.4	Very high	91.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-47.2	176.3	-62.4	177.3	0	0	0	111.5	I174 V243 S244 H245 E246 T250 T251 C252 W257 F261 F275 I277	I174-L248 HydrophobicContact CD1-CD1 3.85Å; I174-L248 HydrophobicContact CD1-CD2 3.52Å; I174-L248 HydrophobicContact CD1-CG 4.35Å; V243-L248 HydrophobicContact CG2-CD2 4.02Å; V243-L248 HydrophobicContact CG2-CG 4.34Å; S244-L248 PolarHBondContact O-N 3.09Å; H245-L248 WeakPolarHBondContact O-CB 3.46Å; H245-L248 PolarHBondContact O-N 3.05Å; H245-L248 VanDerWaalsContact O-N 3.13Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L248 PolarHBondContact O-N 3.29Å; L248-T250 PolarHBondContact O-N 3.5Å; L248-T251 PolarHBondContact O-N 3.2Å; L248-C252 PolarHBondContact O-N 2.76Å; L248-W257 HydrophobicContact CB-CD2 4.16Å; L248-W257 HydrophobicContact CB-CG 4.17Å; L248-W257 PolarHBondContact O-NE1 3.32Å; L248-F261 HydrophobicContact CD1-CE2 4Å; L248-F261 HydrophobicContact CD1-CZ 3.95Å; L248-F275 HydrophobicContact CD1-CB 4.27Å; L248-F275 HydrophobicContact CD1-CD1 3.83Å; L248-F275 HydrophobicContact CD1-CE1 4.41Å; L248-F275 HydrophobicContact CD1-CG 4.03Å; L248-I277 HydrophobicContact CD2-CD1 3.78Å; L248-I277 HydrophobicContact CD2-CG1 4.27Å
249	T	93.1	Very high	92.2	Very high	56 Å²	56	62.3 Å²	62.3	34%	0.344	32%	0.322	S	S	.	.	H	α-helix	trans	-65.2	-38.8	180	-57.3	0	0	0	0	112.3	H245 E246 P253	H245-T249 PolarHBondContact O-N 3.24Å; H245-T249 PolarHBondContact O-OG1 2.92Å; E246-T249 PolarHBondContact O-N 3.32Å; T249-P253 VanDerWaalsContact O-CA 3.23Å; T249-P253 WeakPolarHBondContact O-CA 3.02Å; T249-P253 WeakPolarHBondContact O-CB 3.4Å
250	T	94	Very high	92.9	Very high	87 Å²	87	53.7 Å²	53.7	53%	0.534	28%	0.281	S	S	.	.	H	α-helix	trans	-74.1	-38.9	178.2	50.1	0	0	0	0	112.5	E246 Y247 L248	E246-T250 HydrophobicContact CG-CG2 4.29Å; E246-T250 WeakPolarHBondContact O-CB 3.4Å; E246-T250 VanDerWaalsContact O-CG2 3.31Å; E246-T250 WeakPolarHBondContact O-CG2 3.24Å; E246-T250 PolarHBondContact O-N 3.43Å; E246-T250 PolarHBondContact O-OG1 2.89Å; Y247-T250 WeakPolarHBondContact CA-OG1 3.25Å; Y247-T250 PolarHBondContact O-OG1 3.24Å; Y247-T250 VanDerWaalsContact O-OG1 3.07Å; L248-T250 PolarHBondContact O-N 3.5Å
251	T	92.7	Very high	93.1	Very high	22 Å²	22	50.4 Å²	50.4	14%	0.135	26%	0.26	C	S	.	.	H	α-helix	trans	-73.4	-40.9	180	-56	0	0	0	0	111.6	Y247 L248 Q284 R291	Y247-T251 WeakPolarHBondContact CE1-OG1 3.24Å; Y247-T251 WeakPolarHBondContact O-CB 3.13Å; Y247-T251 PolarHBondContact O-N 3.43Å; Y247-T251 PolarHBondContact O-OG1 2.97Å; L248-T251 PolarHBondContact O-N 3.2Å; T251-Q284 HydrophobicContact CG2-CG 3.81Å; T251-R291 PolarHBondContact O-NH2 3.24Å
252	C	95.2	Very high	92.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.			trans	-131.4	66.7	-175.1	-144.2	0	0	0	0	112.1	L248 I254 I255 W257 W283 C287	L248-C252 PolarHBondContact O-N 2.76Å; C252-I254 PolarHBondContact O-N 2.84Å; C252-I255 PolarHBondContact O-N 3.38Å; C252-W257 HydrophobicContact CB-CZ2 4.2Å; C252-W257 PolarHBondContact O-NE1 3.25Å; C252-W283 HydrophobicContact CB-CH2 4.21Å; C252-W283 HydrophobicContact CB-CZ2 3.58Å; C252-C287 HydrophobicContact CB-CB 3.85Å; C252-C287 WeakPolarHBondContact CB-SG 3.2Å; C252-C287 WeakPolarHBondContact SG-CB 3.47Å; C252-C287 CovalentContact SG-SG 2.04Å; C252-C287 PolarHBondContact SG-SG 2.66Å
253	P	94.3	Very high	92.6	Very high	72 Å²	72	45.7 Å²	45.7	47%	0.468	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.6	-174.5	28.5	-35.4	0	0	0	113.6	T249 I255 R291	T249-P253 VanDerWaalsContact O-CA 3.23Å; T249-P253 WeakPolarHBondContact O-CA 3.02Å; T249-P253 WeakPolarHBondContact O-CB 3.4Å; P253-I255 PolarHBondContact O-N 3.27Å; P253-R291 VanDerWaalsContact CD-NH2 3.29Å
254	I	94.3	Very high	92.3	Very high	39 Å²	39	44.9 Å²	44.9	20%	0.2	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19	175.2	56.2	170.3	0	0	0	112.6	L146 C252 L290 R291	L146-I254 HydrophobicContact CD2-CD1 3.71Å; L146-I254 HydrophobicContact CD2-CG1 4.18Å; C252-I254 PolarHBondContact O-N 2.84Å; I254-L290 HydrophobicContact CD1-CB 3.31Å; I254-L290 HydrophobicContact CD1-CD1 4.31Å; I254-L290 HydrophobicContact CD1-CG 4.44Å; I254-R291 HydrophobicContact CG2-CB 4.38Å; I254-R291 HydrophobicContact CG2-CG 4.31Å
255	I	95.8	Very high	91.7	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.222	C	C	.	.	S	Bend	trans	-103.7	121.5	173.3	-64.2	165.7	0	0	0	107.4	L146 T147 F163 C252 P253 W257 L260 W283	L146-I255 HydrophobicContact CD2-CG1 4.04Å; L146-I255 HydrophobicContact CG-CG1 4.46Å; T147-I255 WeakPolarHBondContact OG1-CA 3.21Å; F163-I255 HydrophobicContact CD1-CD1 4.22Å; F163-I255 HydrophobicContact CE1-CD1 3.54Å; F163-I255 HydrophobicContact CZ-CD1 4.17Å; C252-I255 PolarHBondContact O-N 3.38Å; P253-I255 PolarHBondContact O-N 3.27Å; I255-W257 HydrophobicContact CB-CZ2 4Å; I255-W257 HydrophobicContact CD1-CH2 4.11Å; I255-W257 HydrophobicContact CD1-CZ2 3.76Å; I255-W257 HydrophobicContact CG1-CZ2 4.49Å; I255-W257 HydrophobicContact CG2-CD2 3.89Å; I255-W257 HydrophobicContact CG2-CE3 4.17Å; I255-W257 HydrophobicContact CG2-CG 4.33Å; I255-W257 HydrophobicContact CG2-CH2 4.27Å; I255-W257 HydrophobicContact CG2-CZ2 3.91Å; I255-W257 HydrophobicContact CG2-CZ3 4.4Å; I255-W257 PolarHBondContact O-N 3.19Å; I255-W257 VanDerWaalsContact O-N 3.1Å; I255-W257 PolarHBondContact O-NE1 3.07Å; I255-L260 HydrophobicContact CG2-CD1 3.71Å; I255-W283 HydrophobicContact CD1-CH2 4.25Å
256	N	95.6	Very high	90.7	Very high	79 Å²	79	42.4 Å²	42.4	42%	0.422	23%	0.23	S	C	.	.			trans	-75.5	93.2	166	-172.5	-33.9	0	0	0	109.4	T147 D258 V259 L260	T147-N256 HydrophobicContact CG2-CB 4.45Å; T147-N256 PolarHBondContact OG1-N 3.44Å; N256-D258 PolarHBondContact OD1-N 3.33Å; N256-V259 HydrophobicContact CB-CB 4.17Å; N256-V259 HydrophobicContact CB-CG2 4.33Å; N256-V259 VanDerWaalsContact CG-CG2 3.43Å; N256-V259 WeakPolarHBondContact ND2-CG2 3.34Å; N256-V259 PolarHBondContact O-N 3.24Å; N256-V259 WeakPolarHBondContact OD1-CG2 3.4Å; N256-V259 PolarHBondContact OD1-N 2.65Å; N256-L260 WeakPolarHBondContact O-CB 3.06Å; N256-L260 PolarHBondContact O-N 3.28Å
257	W	93.1	Very high	89.4	Confident	2 Å²	2	41 Å²	41	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-39.6	-177.2	-68.4	101	0	0	0	113.3	I174 L248 C252 I255 V259 L260 F261 W283	I174-W257 HydrophobicContact CD1-CH2 4.22Å; I174-W257 HydrophobicContact CD1-CZ3 4.1Å; L248-W257 HydrophobicContact CB-CD2 4.16Å; L248-W257 HydrophobicContact CB-CG 4.17Å; L248-W257 PolarHBondContact O-NE1 3.32Å; C252-W257 HydrophobicContact CB-CZ2 4.2Å; C252-W257 PolarHBondContact O-NE1 3.25Å; I255-W257 HydrophobicContact CB-CZ2 4Å; I255-W257 HydrophobicContact CD1-CH2 4.11Å; I255-W257 HydrophobicContact CD1-CZ2 3.76Å; I255-W257 HydrophobicContact CG1-CZ2 4.49Å; I255-W257 HydrophobicContact CG2-CD2 3.89Å; I255-W257 HydrophobicContact CG2-CE3 4.17Å; I255-W257 HydrophobicContact CG2-CG 4.33Å; I255-W257 HydrophobicContact CG2-CH2 4.27Å; I255-W257 HydrophobicContact CG2-CZ2 3.91Å; I255-W257 HydrophobicContact CG2-CZ3 4.4Å; I255-W257 PolarHBondContact O-N 3.19Å; I255-W257 VanDerWaalsContact O-N 3.1Å; I255-W257 PolarHBondContact O-NE1 3.07Å; W257-V259 PolarHBondContact O-N 2.04Å; W257-L260 HydrophobicContact CE3-CD2 4.48Å; W257-L260 PolarHBondContact O-N 2.9Å; W257-F261 HydrophobicContact CB-CD2 4.2Å; W257-F261 HydrophobicContact CB-CE2 3.97Å; W257-F261 HydrophobicContact CD2-CE2 4.33Å; W257-F261 HydrophobicContact CD2-CZ 4.28Å; W257-F261 AromaticContact CE3-CE1 3.79Å; W257-F261 HydrophobicContact CE3-CE1 3.79Å; W257-F261 AromaticContact CE3-CE2 3.71Å; W257-F261 HydrophobicContact CE3-CE2 3.71Å; W257-F261 AromaticContact CE3-CZ 3.29Å; W257-F261 HydrophobicContact CE3-CZ 3.29Å; W257-F261 HydrophobicContact CG-CE2 4.48Å; W257-F261 HydrophobicContact CZ3-CE1 4.04Å; W257-F261 AromaticContact CZ3-CZ 3.78Å; W257-F261 HydrophobicContact CZ3-CZ 3.78Å; W257-F261 WeakPolarHBondContact O-CB 3.04Å; W257-F261 VanDerWaalsContact O-CD2 3.3Å; W257-F261 WeakPolarHBondContact O-CD2 3.39Å; W257-F261 WeakPolarHBondContact O-CG 3.36Å; W257-F261 PolarHBondContact O-N 2.68Å; W257-W283 AromaticContact CH2-CH2 3.42Å; W257-W283 HydrophobicContact CH2-CH2 3.42Å; W257-W283 VanDerWaalsContact CH2-CH2 3.42Å; W257-W283 AromaticContact CH2-CZ2 3.7Å; W257-W283 HydrophobicContact CH2-CZ2 3.7Å; W257-W283 HydrophobicContact CH2-CZ3 4.46Å; W257-W283 AromaticContact CZ2-CH2 3.36Å; W257-W283 HydrophobicContact CZ2-CH2 3.36Å; W257-W283 AromaticContact CZ2-CZ2 3.31Å; W257-W283 HydrophobicContact CZ2-CZ2 3.31Å
258	D	92.2	Very high	87.7	Confident	58 Å²	58	44.2 Å²	44.2	31%	0.31	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-43.4	178.2	-67.2	-62.6	0	0	0	112	H245 N256 R262 Y270	H245-D258 IonicContact CE1-OD1 2.66Å; H245-D258 PolarHBondContact CE1-OD1 3.42Å; H245-D258 IonicContact CE1-OD2 3.75Å; H245-D258 IonicContact NE2-OD1 3.91Å; H245-D258 PolarHBondContact NE2-OD1 3.2Å; N256-D258 PolarHBondContact OD1-N 3.33Å; D258-R262 WeakPolarHBondContact O-CB 3.44Å; D258-R262 PolarHBondContact O-N 3.46Å; D258-R262 VanDerWaalsContact O-N 3.15Å; D258-Y270 WeakPolarHBondContact CA-OH 3.46Å; D258-Y270 WeakPolarHBondContact CB-OH 3.23Å; D258-Y270 PolarHBondContact OD1-OH 3.03Å
259	V	92.4	Very high	86.5	Confident	56 Å²	56	47.5 Å²	47.5	34%	0.339	27%	0.267	S	S	.	.	H	α-helix	trans	-66.1	-44.5	175.4	171.1	0	0	0	0	110.1	T147 N256 W257 N263	T147-V259 HydrophobicContact CG2-CB 4.34Å; T147-V259 HydrophobicContact CG2-CG1 4.05Å; N256-V259 HydrophobicContact CB-CB 4.17Å; N256-V259 HydrophobicContact CB-CG2 4.33Å; N256-V259 VanDerWaalsContact CG-CG2 3.43Å; N256-V259 WeakPolarHBondContact ND2-CG2 3.34Å; N256-V259 PolarHBondContact O-N 3.24Å; N256-V259 WeakPolarHBondContact OD1-CG2 3.4Å; N256-V259 PolarHBondContact OD1-N 2.65Å; W257-V259 PolarHBondContact O-N 2.04Å; V259-N263 WeakPolarHBondContact O-CB 3.36Å; V259-N263 PolarHBondContact O-N 2.98Å; V259-N263 VanDerWaalsContact O-N 3.15Å; V259-N263 PolarHBondContact O-ND2 3.45Å
260	L	93.5	Very high	85.7	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-53.8	-178.5	-176.7	155.2	0	0	0	111.7	T147 L154 F163 L165 I255 N256 W257 N263 V264	T147-L260 HydrophobicContact CG2-CB 4.02Å; L154-L260 HydrophobicContact CD1-CD1 3.68Å; L154-L260 HydrophobicContact CD1-CD2 4.38Å; L154-L260 HydrophobicContact CD1-CG 3.91Å; F163-L260 HydrophobicContact CE2-CD1 4.21Å; F163-L260 HydrophobicContact CZ-CD1 3.73Å; L165-L260 HydrophobicContact CD1-CD2 3.69Å; I255-L260 HydrophobicContact CG2-CD1 3.71Å; N256-L260 WeakPolarHBondContact O-CB 3.06Å; N256-L260 PolarHBondContact O-N 3.28Å; W257-L260 HydrophobicContact CE3-CD2 4.48Å; W257-L260 PolarHBondContact O-N 2.9Å; L260-N263 PolarHBondContact O-N 3.13Å; L260-V264 HydrophobicContact CD2-CG2 4.29Å; L260-V264 HydrophobicContact CG-CG2 4.49Å; L260-V264 WeakPolarHBondContact O-CB 3.26Å; L260-V264 VanDerWaalsContact O-CG2 3.31Å; L260-V264 WeakPolarHBondContact O-CG2 3.05Å; L260-V264 PolarHBondContact O-N 3.46Å
261	F	90.3	Very high	84.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.2	-41.8	-177	-66.2	-37	0	0	0	112.5	L165 I172 L248 W257 N263 V264 F265 Y270 F275	L165-F261 HydrophobicContact CD2-CE1 4.37Å; I172-F261 HydrophobicContact CD1-CD1 4.32Å; I172-F261 HydrophobicContact CD1-CE1 4.41Å; I172-F261 HydrophobicContact CG2-CE1 4.22Å; L248-F261 HydrophobicContact CD1-CE2 4Å; L248-F261 HydrophobicContact CD1-CZ 3.95Å; W257-F261 HydrophobicContact CB-CD2 4.2Å; W257-F261 HydrophobicContact CB-CE2 3.97Å; W257-F261 HydrophobicContact CD2-CE2 4.33Å; W257-F261 HydrophobicContact CD2-CZ 4.28Å; W257-F261 AromaticContact CE3-CE1 3.79Å; W257-F261 HydrophobicContact CE3-CE1 3.79Å; W257-F261 AromaticContact CE3-CE2 3.71Å; W257-F261 HydrophobicContact CE3-CE2 3.71Å; W257-F261 AromaticContact CE3-CZ 3.29Å; W257-F261 HydrophobicContact CE3-CZ 3.29Å; W257-F261 HydrophobicContact CG-CE2 4.48Å; W257-F261 HydrophobicContact CZ3-CE1 4.04Å; W257-F261 AromaticContact CZ3-CZ 3.78Å; W257-F261 HydrophobicContact CZ3-CZ 3.78Å; W257-F261 WeakPolarHBondContact O-CB 3.04Å; W257-F261 VanDerWaalsContact O-CD2 3.3Å; W257-F261 WeakPolarHBondContact O-CD2 3.39Å; W257-F261 WeakPolarHBondContact O-CG 3.36Å; W257-F261 PolarHBondContact O-N 2.68Å; F261-N263 VanDerWaalsContact C-N 3.26Å; F261-N263 PolarHBondContact O-N 2.94Å; F261-V264 PolarHBondContact O-N 3.12Å; F261-F265 HydrophobicContact CB-CD2 4.22Å; F261-F265 HydrophobicContact CD1-CD2 4.07Å; F261-F265 AromaticContact CD1-CE2 3.71Å; F261-F265 HydrophobicContact CD1-CE2 3.71Å; F261-F265 HydrophobicContact CE1-CE2 4.29Å; F261-F265 WeakPolarHBondContact O-CB 3.32Å; F261-F265 PolarHBondContact O-N 3.4Å; F261-Y270 HydrophobicContact CB-CD1 3.95Å; F261-Y270 HydrophobicContact CB-CD2 3.72Å; F261-Y270 HydrophobicContact CB-CE1 4.37Å; F261-Y270 HydrophobicContact CB-CE2 4.15Å; F261-Y270 HydrophobicContact CB-CG 3.62Å; F261-Y270 AromaticContact CD2-CD2 3.86Å; F261-Y270 HydrophobicContact CD2-CD2 3.86Å; F261-Y270 HydrophobicContact CD2-CE2 4.13Å; F261-Y270 HydrophobicContact CG-CD2 4.19Å; F261-Y270 HydrophobicContact CG-CG 4.47Å; F261-F275 AromaticContact CD2-CE1 3.87Å; F261-F275 HydrophobicContact CD2-CE1 3.87Å; F261-F275 HydrophobicContact CD2-CZ 4.32Å; F261-F275 HydrophobicContact CE1-CE1 4.43Å; F261-F275 HydrophobicContact CE2-CD1 4.01Å; F261-F275 AromaticContact CE2-CE1 3.33Å; F261-F275 HydrophobicContact CE2-CE1 3.33Å; F261-F275 HydrophobicContact CE2-CZ 4.04Å; F261-F275 AromaticContact CZ-CD1 3.96Å; F261-F275 HydrophobicContact CZ-CD1 3.96Å; F261-F275 AromaticContact CZ-CE1 3.64Å; F261-F275 HydrophobicContact CZ-CE1 3.64Å
262	R	87.3	Confident	84.1	Confident	106 Å²	106	52.5 Å²	52.5	40%	0.4	28%	0.282	S	S	.	.	H	α-helix	trans	-57.2	-40.4	174.6	-173	-167.6	-48	-115.3	-6.7	112.2	D258 G266 E268 Y270	D258-R262 WeakPolarHBondContact O-CB 3.44Å; D258-R262 PolarHBondContact O-N 3.46Å; D258-R262 VanDerWaalsContact O-N 3.15Å; R262-G266 WeakPolarHBondContact O-CA 3.15Å; R262-G266 PolarHBondContact O-N 2.87Å; R262-E268 IonicContact CZ-OE1 3.85Å; R262-E268 IonicContact NH1-OE1 3.43Å; R262-E268 PolarHBondContact NH1-OE1 2.67Å; R262-E268 IonicContact NH2-OE1 2.67Å; R262-Y270 HydrophobicContact CB-CE1 4.16Å
263	N	87	Confident	83.5	Confident	62 Å²	62	54.2 Å²	54.2	33%	0.332	29%	0.291	S	S	.	.	H	α-helix	trans	-75	-46.7	180	-86.3	-80	0	0	0	112.4	L151 F155 V259 L260 F261	L151-N263 HydrophobicContact CD2-CB 3.72Å; F155-N263 HydrophobicContact CE1-CB 4.12Å; F155-N263 WeakPolarHBondContact CE1-O 3.14Å; F155-N263 HydrophobicContact CZ-CB 3.89Å; V259-N263 WeakPolarHBondContact O-CB 3.36Å; V259-N263 PolarHBondContact O-N 2.98Å; V259-N263 VanDerWaalsContact O-N 3.15Å; V259-N263 PolarHBondContact O-ND2 3.45Å; L260-N263 PolarHBondContact O-N 3.13Å; F261-N263 VanDerWaalsContact C-N 3.26Å; F261-N263 PolarHBondContact O-N 2.94Å
264	V	86.3	Confident	83.3	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-72.1	-40.2	-174.6	174.7	0	0	0	0	111.9	L151 L154 R158 L165 L260 F261	L151-V264 HydrophobicContact CD2-CG2 4.31Å; L154-V264 HydrophobicContact CB-CG2 3.95Å; L154-V264 HydrophobicContact CD1-CG2 4.21Å; R158-V264 HydrophobicContact CG-CG1 4.24Å; L165-V264 HydrophobicContact CD1-CG1 4.47Å; L260-V264 HydrophobicContact CD2-CG2 4.29Å; L260-V264 HydrophobicContact CG-CG2 4.49Å; L260-V264 WeakPolarHBondContact O-CB 3.26Å; L260-V264 VanDerWaalsContact O-CG2 3.31Å; L260-V264 WeakPolarHBondContact O-CG2 3.05Å; L260-V264 PolarHBondContact O-N 3.46Å; F261-V264 PolarHBondContact O-N 3.12Å
265	F	79.5	Confident	83.2	Confident	20 Å²	20	53.4 Å²	53.4	9%	0.088	28%	0.28	C	S	.	.	S	Bend	trans	-102.2	5	-176.8	-58.6	-68.3	0	0	0	113.8	L165 L167 I172 F261 N267	L165-F265 HydrophobicContact CB-CZ 4.44Å; L167-F265 HydrophobicContact CB-CE1 4.1Å; I172-F265 HydrophobicContact CD1-CD2 3.82Å; I172-F265 HydrophobicContact CD1-CE2 3.45Å; I172-F265 VanDerWaalsContact CD1-CE2 3.45Å; I172-F265 HydrophobicContact CD1-CZ 4.01Å; I172-F265 HydrophobicContact CG1-CE2 3.94Å; I172-F265 HydrophobicContact CG1-CZ 3.96Å; I172-F265 HydrophobicContact CG2-CE2 4.28Å; I172-F265 HydrophobicContact CG2-CZ 4.2Å; F261-F265 HydrophobicContact CB-CD2 4.22Å; F261-F265 HydrophobicContact CD1-CD2 4.07Å; F261-F265 AromaticContact CD1-CE2 3.71Å; F261-F265 HydrophobicContact CD1-CE2 3.71Å; F261-F265 HydrophobicContact CE1-CE2 4.29Å; F261-F265 WeakPolarHBondContact O-CB 3.32Å; F261-F265 PolarHBondContact O-N 3.4Å; F265-N267 VanDerWaalsContact C-N 3.35Å; F265-N267 PolarHBondContact O-N 3.36Å
266	G	70.9	Confident	83	Confident	35 Å²	35	53.9 Å²	53.9	36%	0.361	28%	0.282	S	S	.	.	S	Bend	trans	76.9	0.1	162.5	0	0	0	0	0	117.6	R262	R262-G266 WeakPolarHBondContact O-CA 3.15Å; R262-G266 PolarHBondContact O-N 2.87Å
267	N	63.4	Low	82.9	Confident	114 Å²	114	50.2 Å²	50.2	61%	0.61	26%	0.263	S	S	*	.	S	Bend	trans	-167.1	170.4	173.4	-89.1	-32.9	0	0	0	112.8	F265 S269 Y270	F265-N267 VanDerWaalsContact C-N 3.35Å; F265-N267 PolarHBondContact O-N 3.36Å; N267-S269 PolarHBondContact O-N 3.08Å; N267-S269 VanDerWaalsContact O-N 3.08Å; N267-Y270 WeakPolarHBondContact O-CD1 3.49Å
268	E	58.9	Low	82.6	Confident	115 Å²	115	52.5 Å²	52.5	54%	0.537	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-67.5	-0.3	175.3	-61.5	-167.2	158.1	0	0	114.3	R262 Y270 N271	R262-E268 IonicContact CZ-OE1 3.85Å; R262-E268 IonicContact NH1-OE1 3.43Å; R262-E268 PolarHBondContact NH1-OE1 2.67Å; R262-E268 IonicContact NH2-OE1 2.67Å; E268-Y270 PolarHBondContact O-N 3.34Å; E268-Y270 VanDerWaalsContact O-N 3.1Å; E268-N271 WeakPolarHBondContact O-CB 2.94Å; E268-N271 PolarHBondContact O-N 2.94Å; E268-N271 PolarHBondContact O-ND2 2.66Å
269	S	66.7	Low	82.4	Confident	69 Å²	69	50.5 Å²	50.5	48%	0.483	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-60.5	-16.9	175.8	-57.3	0	0	0	0	113.4	N267 N271 Q272	N267-S269 PolarHBondContact O-N 3.08Å; N267-S269 VanDerWaalsContact O-N 3.08Å; S269-N271 PolarHBondContact O-N 2.92Å; S269-N271 VanDerWaalsContact O-N 3.12Å; S269-Q272 WeakPolarHBondContact O-CB 3.11Å; S269-Q272 PolarHBondContact O-N 3.14Å
270	Y	75.5	Confident	82.3	Confident	5 Å²	5	50 Å²	50	2%	0.02	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-58.7	-24.5	174.5	76.9	-91.4	0	0	0	113	D258 F261 R262 N267 E268 Q272 L273 F275	D258-Y270 WeakPolarHBondContact CA-OH 3.46Å; D258-Y270 WeakPolarHBondContact CB-OH 3.23Å; D258-Y270 PolarHBondContact OD1-OH 3.03Å; F261-Y270 HydrophobicContact CB-CD1 3.95Å; F261-Y270 HydrophobicContact CB-CD2 3.72Å; F261-Y270 HydrophobicContact CB-CE1 4.37Å; F261-Y270 HydrophobicContact CB-CE2 4.15Å; F261-Y270 HydrophobicContact CB-CG 3.62Å; F261-Y270 AromaticContact CD2-CD2 3.86Å; F261-Y270 HydrophobicContact CD2-CD2 3.86Å; F261-Y270 HydrophobicContact CD2-CE2 4.13Å; F261-Y270 HydrophobicContact CG-CD2 4.19Å; F261-Y270 HydrophobicContact CG-CG 4.47Å; R262-Y270 HydrophobicContact CB-CE1 4.16Å; N267-Y270 WeakPolarHBondContact O-CD1 3.49Å; E268-Y270 PolarHBondContact O-N 3.34Å; E268-Y270 VanDerWaalsContact O-N 3.1Å; Y270-Q272 PolarHBondContact O-N 2.62Å; Y270-L273 WeakPolarHBondContact O-CB 3.3Å; Y270-L273 PolarHBondContact O-N 3.34Å; Y270-F275 HydrophobicContact CD2-CZ 4.31Å
271	N	74.8	Confident	82.1	Confident	99 Å²	99	54.5 Å²	54.5	53%	0.529	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-64.6	-17.4	175.2	-69.6	-39.8	0	0	0	113.5	E268 S269	E268-N271 WeakPolarHBondContact O-CB 2.94Å; E268-N271 PolarHBondContact O-N 2.94Å; E268-N271 PolarHBondContact O-ND2 2.66Å; S269-N271 PolarHBondContact O-N 2.92Å; S269-N271 VanDerWaalsContact O-N 3.12Å
272	Q	78.8	Confident	82.1	Confident	167 Å²	167	54.5 Å²	54.5	78%	0.78	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-92.9	-5.7	175.4	-60.1	178.8	-15.4	0	0	112.6	S269 Y270	S269-Q272 WeakPolarHBondContact O-CB 3.11Å; S269-Q272 PolarHBondContact O-N 3.14Å; Y270-Q272 PolarHBondContact O-N 2.62Å
273	L	84	Confident	82.3	Confident	36 Å²	36	49.9 Å²	49.9	19%	0.188	26%	0.262	C	S	.	.	S	Bend	trans	-88.7	150.7	-176.7	-57.3	178.1	0	0	0	111.1	L167 V170 I172 Y270	L167-L273 HydrophobicContact CD1-CD1 3.92Å; V170-L273 HydrophobicContact CB-CD2 4.1Å; V170-L273 CarbonylContact O-C 3.5Å; V170-L273 WeakPolarHBondContact O-CA 3.42Å; V170-L273 VanDerWaalsContact O-CB 3.32Å; V170-L273 WeakPolarHBondContact O-CB 3.49Å; V170-L273 WeakPolarHBondContact O-CD2 3.48Å; I172-L273 HydrophobicContact CD1-CB 4.28Å; I172-L273 HydrophobicContact CD1-CD1 3.59Å; I172-L273 HydrophobicContact CG1-CB 4.4Å; I172-L273 HydrophobicContact CG1-CD1 3.82Å; Y270-L273 WeakPolarHBondContact O-CB 3.3Å; Y270-L273 PolarHBondContact O-N 3.34Å
274	E	88.4	Confident	82.6	Confident	80 Å²	80	50.5 Å²	50.5	37%	0.374	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	151.8	169.5	-61.4	-169.2	160.7	0	0	110.2	V170 T171 I172 R242	V170-E274 PolarHBondContact O-N 3.1Å; T171-E274 CarbonylContact C-O 3.56Å; T171-E274 WeakPolarHBondContact CA-O 3.47Å; T171-E274 HydrophobicContact CG2-CB 4.22Å; I172-E274 PolarHBondContact N-O 2.65Å; R242-E274 IonicContact CZ-OE2 2.87Å; R242-E274 IonicContact NH1-OE1 2.71Å; R242-E274 PolarHBondContact NH1-OE1 2.8Å; R242-E274 IonicContact NH1-OE2 3.74Å; R242-E274 PolarHBondContact NH1-OE2 3.26Å; R242-E274 IonicContact NH2-OE2 2.53Å
275	F	92.3	Very high	82.9	Confident	14 Å²	14	55.4 Å²	55.4	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.7	176.1	-55.2	-85.9	0	0	0	110.6	I172 R242 V243 H245 L248 F261 Y270	I172-F275 HydrophobicContact CB-CD1 4.03Å; I172-F275 HydrophobicContact CB-CE1 4.36Å; I172-F275 HydrophobicContact CD1-CD1 4.28Å; I172-F275 HydrophobicContact CD1-CE1 3.73Å; I172-F275 HydrophobicContact CG2-CD1 4.41Å; I172-F275 WeakPolarHBondContact O-CA 3.48Å; R242-F275 WeakPolarHBondContact CA-O 3.28Å; V243-F275 HydrophobicContact CG2-CB 3.89Å; V243-F275 PolarHBondContact N-O 3.47Å; H245-F275 HydrophobicContact CB-CD2 4.41Å; H245-F275 HydrophobicContact CB-CE2 3.93Å; L248-F275 HydrophobicContact CD1-CB 4.27Å; L248-F275 HydrophobicContact CD1-CD1 3.83Å; L248-F275 HydrophobicContact CD1-CE1 4.41Å; L248-F275 HydrophobicContact CD1-CG 4.03Å; F261-F275 AromaticContact CD2-CE1 3.87Å; F261-F275 HydrophobicContact CD2-CE1 3.87Å; F261-F275 HydrophobicContact CD2-CZ 4.32Å; F261-F275 HydrophobicContact CE1-CE1 4.43Å; F261-F275 HydrophobicContact CE2-CD1 4.01Å; F261-F275 AromaticContact CE2-CE1 3.33Å; F261-F275 HydrophobicContact CE2-CE1 3.33Å; F261-F275 HydrophobicContact CE2-CZ 4.04Å; F261-F275 AromaticContact CZ-CD1 3.96Å; F261-F275 HydrophobicContact CZ-CD1 3.96Å; F261-F275 AromaticContact CZ-CE1 3.64Å; F261-F275 HydrophobicContact CZ-CE1 3.64Å; Y270-F275 HydrophobicContact CD2-CZ 4.31Å
276	T	92.9	Very high	83.7	Confident	11 Å²	11	54.8 Å²	54.8	7%	0.067	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.5	172.5	55.8	0	0	0	0	110.9	T171 I172 E173 I174 K241 R242	T171-T276 HydrophobicContact CG2-CG2 3.63Å; I172-T276 PolarHBondContact O-N 3.2Å; E173-T276 CarbonylContact C-O 3.52Å; E173-T276 WeakPolarHBondContact CA-O 3.48Å; E173-T276 WeakPolarHBondContact CA-OG1 3.37Å; E173-T276 WeakPolarHBondContact CG-OG1 3.38Å; I174-T276 PolarHBondContact N-O 3.31Å; K241-T276 CarbonylContact O-C 3.55Å; K241-T276 VanDerWaalsContact O-CA 3.27Å; K241-T276 WeakPolarHBondContact O-CA 3.34Å; R242-T276 HydrophobicContact CG-CG2 3.89Å
277	I	92.9	Very high	84.9	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.4	171.1	-62.3	167.3	0	0	0	107.4	I174 K241 V243 Y247 L248 S279 W283	I174-I277 HydrophobicContact CB-CG1 4.22Å; I174-I277 HydrophobicContact CD1-CG1 4.37Å; K241-I277 PolarHBondContact N-O 2.67Å; K241-I277 PolarHBondContact O-N 3.02Å; V243-I277 HydrophobicContact CB-CD1 4.46Å; V243-I277 HydrophobicContact CG1-CD1 3.98Å; V243-I277 HydrophobicContact CG1-CG1 4.46Å; V243-I277 HydrophobicContact CG2-CD1 3.84Å; V243-I277 HydrophobicContact CG2-CG1 3.93Å; Y247-I277 HydrophobicContact CD1-CD1 4.3Å; Y247-I277 HydrophobicContact CE1-CD1 3.92Å; L248-I277 HydrophobicContact CD2-CD1 3.78Å; L248-I277 HydrophobicContact CD2-CG1 4.27Å; I277-S279 WeakPolarHBondContact CG2-O 3.44Å; I277-W283 HydrophobicContact CD1-CG 4.08Å; I277-W283 HydrophobicContact CG2-CB 3.76Å; I277-W283 HydrophobicContact CG2-CG 4.13Å
278	Q	87.8	Confident	86.4	Confident	50 Å²	50	51.8 Å²	51.8	23%	0.234	25%	0.254	C	S	.	.	S	Bend	trans	-67.8	-42	-178.9	-70	-69.5	-20.4	0	0	112.9	E173 I174 H175 S238	E173-Q278 PolarHBondContact OE2-NE2 2.86Å; I174-Q278 PolarHBondContact O-N 3.43Å; I174-Q278 VanDerWaalsContact O-N 3.14Å; H175-Q278 WeakPolarHBondContact CE1-CG 3.46Å; H175-Q278 WeakPolarHBondContact ND1-CG 3.48Å; S238-Q278 PolarHBondContact OG-O 2.69Å
279	S	88	Confident	88.2	Confident	16 Å²	16	47.4 Å²	47.4	11%	0.112	23%	0.234	C	C	.	.			trans	-130.4	104.2	170.7	179	0	0	0	0	111.4	T235 S238 I277 E281 A282 W283	T235-S279 WeakPolarHBondContact CG2-OG 3.01Å; S238-S279 WeakPolarHBondContact OG-CA 3.37Å; I277-S279 WeakPolarHBondContact CG2-O 3.44Å; S279-E281 VanDerWaalsContact C-N 3.33Å; S279-E281 PolarHBondContact O-N 3.22Å; S279-A282 WeakPolarHBondContact OG-CB 3.35Å; S279-A282 PolarHBondContact OG-N 3.38Å; S279-W283 VanDerWaalsContact O-CB 3.23Å; S279-W283 WeakPolarHBondContact O-CB 3.24Å; S279-W283 PolarHBondContact O-N 3.41Å
280	E	88.5	Confident	89.6	Confident	47 Å²	47	44.1 Å²	44.1	22%	0.22	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-42.4	178.1	-176	180	-156.2	0	0	111.7	K241 Y247 W283 Q284	K241-E280 HydrophobicContact CD-CB 4.37Å; K241-E280 VanDerWaalsContact CD-CD 3.47Å; K241-E280 HydrophobicContact CD-CG 4.36Å; K241-E280 WeakPolarHBondContact CD-OE2 3.28Å; K241-E280 WeakPolarHBondContact CE-OE2 3.48Å; K241-E280 IonicContact NZ-OE1 3.41Å; K241-E280 PolarHBondContact NZ-OE1 2.88Å; K241-E280 IonicContact NZ-OE2 2.62Å; K241-E280 PolarHBondContact NZ-OE2 2.87Å; Y247-E280 VanDerWaalsContact CZ-OE1 3.29Å; Y247-E280 VanDerWaalsContact OH-CD 3.31Å; Y247-E280 VanDerWaalsContact OH-CG 3.26Å; Y247-E280 WeakPolarHBondContact OH-CG 3.43Å; Y247-E280 PolarHBondContact OH-OE1 2.84Å; E280-W283 WeakPolarHBondContact O-CB 3.26Å; E280-W283 PolarHBondContact O-N 3.19Å; E280-Q284 WeakPolarHBondContact O-CG 2.91Å; E280-Q284 PolarHBondContact O-N 2.91Å
281	E	89.9	Confident	90.5	Very high	93 Å²	93	48.3 Å²	48.3	44%	0.435	23%	0.227	S	C	.	.	H	α-helix	trans	-67.2	-45.7	-179.2	-177.4	174.9	-166.7	0	0	111.9	S279 W283 Q284 R285	S279-E281 VanDerWaalsContact C-N 3.33Å; S279-E281 PolarHBondContact O-N 3.22Å; E281-W283 PolarHBondContact O-N 3.03Å; E281-Q284 PolarHBondContact O-N 2.94Å; E281-R285 WeakPolarHBondContact O-CG 3.09Å; E281-R285 PolarHBondContact O-N 2.68Å; E281-R285 IonicContact OE1-CZ 2.56Å; E281-R285 IonicContact OE1-NE 3.21Å; E281-R285 PolarHBondContact OE1-NE 3.08Å; E281-R285 IonicContact OE1-NH2 2.71Å; E281-R285 PolarHBondContact OE1-NH2 3.07Å
282	A	90.9	Very high	91.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-40.6	176.1	0	0	0	0	0	111.2	V231 T235 S279 T286	V231-A282 HydrophobicContact CG1-CB 4.03Å; V231-A282 WeakPolarHBondContact CG1-O 3.35Å; T235-A282 HydrophobicContact CG2-CB 3.99Å; T235-A282 WeakPolarHBondContact OG1-CB 3.3Å; S279-A282 WeakPolarHBondContact OG-CB 3.35Å; S279-A282 PolarHBondContact OG-N 3.38Å; A282-T286 VanDerWaalsContact O-CB 3.3Å; A282-T286 WeakPolarHBondContact O-CB 2.98Å; A282-T286 PolarHBondContact O-N 2.69Å; A282-T286 PolarHBondContact O-OG1 3.47Å
283	W	91	Very high	92.4	Very high	10 Å²	10	39.5 Å²	39.5	4%	0.038	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-50.8	178.4	172.8	-111.5	0	0	0	112.3	F163 I174 C252 I255 W257 I277 S279 E280 E281 R285 T286 C287	F163-W283 HydrophobicContact CB-CZ3 3.99Å; F163-W283 HydrophobicContact CD1-CZ3 4.25Å; F163-W283 HydrophobicContact CG-CZ3 4.23Å; I174-W283 HydrophobicContact CG2-CE3 4.16Å; I174-W283 HydrophobicContact CG2-CZ3 4.2Å; C252-W283 HydrophobicContact CB-CH2 4.21Å; C252-W283 HydrophobicContact CB-CZ2 3.58Å; I255-W283 HydrophobicContact CD1-CH2 4.25Å; W257-W283 AromaticContact CH2-CH2 3.42Å; W257-W283 HydrophobicContact CH2-CH2 3.42Å; W257-W283 VanDerWaalsContact CH2-CH2 3.42Å; W257-W283 AromaticContact CH2-CZ2 3.7Å; W257-W283 HydrophobicContact CH2-CZ2 3.7Å; W257-W283 HydrophobicContact CH2-CZ3 4.46Å; W257-W283 AromaticContact CZ2-CH2 3.36Å; W257-W283 HydrophobicContact CZ2-CH2 3.36Å; W257-W283 AromaticContact CZ2-CZ2 3.31Å; W257-W283 HydrophobicContact CZ2-CZ2 3.31Å; I277-W283 HydrophobicContact CD1-CG 4.08Å; I277-W283 HydrophobicContact CG2-CB 3.76Å; I277-W283 HydrophobicContact CG2-CG 4.13Å; S279-W283 VanDerWaalsContact O-CB 3.23Å; S279-W283 WeakPolarHBondContact O-CB 3.24Å; S279-W283 PolarHBondContact O-N 3.41Å; E280-W283 WeakPolarHBondContact O-CB 3.26Å; E280-W283 PolarHBondContact O-N 3.19Å; E281-W283 PolarHBondContact O-N 3.03Å; W283-R285 PolarHBondContact O-N 3.49Å; W283-T286 PolarHBondContact O-N 3.46Å; W283-C287 VanDerWaalsContact CH2-SG 3.51Å; W283-C287 WeakPolarHBondContact CZ2-SG 3.32Å; W283-C287 PolarHBondContact O-N 3.35Å
284	Q	92.5	Very high	92.9	Very high	75 Å²	75	39.1 Å²	39.1	35%	0.35	19%	0.188	S	C	.	.	H	α-helix	trans	-56.9	-50.5	177.6	-75.6	176.5	-7.9	0	0	111.3	Y247 T251 E280 E281 T286 C287 D288	Y247-Q284 PolarHBondContact OH-NE2 2.85Å; T251-Q284 HydrophobicContact CG2-CG 3.81Å; E280-Q284 WeakPolarHBondContact O-CG 2.91Å; E280-Q284 PolarHBondContact O-N 2.91Å; E281-Q284 PolarHBondContact O-N 2.94Å; Q284-T286 VanDerWaalsContact C-N 3.34Å; Q284-T286 PolarHBondContact O-N 2.05Å; Q284-C287 PolarHBondContact O-N 3.09Å; Q284-C287 VanDerWaalsContact O-N 3.16Å; Q284-D288 PolarHBondContact O-N 2.83Å
285	R	94.5	Very high	93.2	Very high	105 Å²	105	40.2 Å²	40.2	40%	0.396	20%	0.201	S	C	.	.	H	α-helix	trans	-62.2	-39.6	179.6	-68.9	-179	-177.1	-167	2.1	112.6	V231 E281 W283 C287 D288 I289	V231-R285 HydrophobicContact CG1-CB 3.81Å; V231-R285 HydrophobicContact CG2-CB 3.84Å; E281-R285 WeakPolarHBondContact O-CG 3.09Å; E281-R285 PolarHBondContact O-N 2.68Å; E281-R285 IonicContact OE1-CZ 2.56Å; E281-R285 IonicContact OE1-NE 3.21Å; E281-R285 PolarHBondContact OE1-NE 3.08Å; E281-R285 IonicContact OE1-NH2 2.71Å; E281-R285 PolarHBondContact OE1-NH2 3.07Å; W283-R285 PolarHBondContact O-N 3.49Å; R285-C287 VanDerWaalsContact C-N 3.35Å; R285-D288 PolarHBondContact O-N 3.36Å; R285-I289 WeakPolarHBondContact O-CG1 3.41Å; R285-I289 PolarHBondContact O-N 2.87Å
286	T	95.1	Very high	93.3	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.043	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-44.5	175.4	-60.9	0	0	0	0	110.9	L228 A282 W283 Q284 I289 L290	L228-T286 HydrophobicContact CD2-CG2 3.85Å; A282-T286 VanDerWaalsContact O-CB 3.3Å; A282-T286 WeakPolarHBondContact O-CB 2.98Å; A282-T286 PolarHBondContact O-N 2.69Å; A282-T286 PolarHBondContact O-OG1 3.47Å; W283-T286 PolarHBondContact O-N 3.46Å; Q284-T286 VanDerWaalsContact C-N 3.34Å; Q284-T286 PolarHBondContact O-N 2.05Å; T286-I289 PolarHBondContact O-N 3.04Å; T286-L290 HydrophobicContact CG2-CD1 4.1Å; T286-L290 VanDerWaalsContact O-CG 3.3Å; T286-L290 WeakPolarHBondContact O-CG 3.3Å; T286-L290 PolarHBondContact O-N 3.45Å
287	C	95.5	Very high	93.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-35.5	177.6	-76.4	0	0	0	0	113.2	C252 W283 Q284 R285 L290 R291	C252-C287 HydrophobicContact CB-CB 3.85Å; C252-C287 WeakPolarHBondContact CB-SG 3.2Å; C252-C287 WeakPolarHBondContact SG-CB 3.47Å; C252-C287 CovalentContact SG-SG 2.04Å; C252-C287 PolarHBondContact SG-SG 2.66Å; W283-C287 VanDerWaalsContact CH2-SG 3.51Å; W283-C287 WeakPolarHBondContact CZ2-SG 3.32Å; W283-C287 PolarHBondContact O-N 3.35Å; Q284-C287 PolarHBondContact O-N 3.09Å; Q284-C287 VanDerWaalsContact O-N 3.16Å; R285-C287 VanDerWaalsContact C-N 3.35Å; C287-L290 PolarHBondContact O-N 3.37Å; C287-R291 VanDerWaalsContact O-CB 3.29Å; C287-R291 WeakPolarHBondContact O-CB 3.33Å; C287-R291 PolarHBondContact O-N 2.85Å
288	D	95.8	Very high	93.6	Very high	86 Å²	86	53.9 Å²	53.9	46%	0.46	27%	0.269	S	S	.	.	H	α-helix	trans	-65.7	-44.2	174.6	-72.6	-27.7	0	0	0	111.9	Q284 R285 L290 R291 S292	Q284-D288 PolarHBondContact O-N 2.83Å; R285-D288 PolarHBondContact O-N 3.36Å; D288-L290 PolarHBondContact O-N 2.89Å; D288-R291 PolarHBondContact O-N 3.36Å; D288-R291 IonicContact OD1-NH1 3.63Å; D288-S292 PolarHBondContact O-N 3.36Å
289	I	96.7	Very high	94	Very high	23 Å²	23	51.5 Å²	51.5	12%	0.118	26%	0.259	C	S	.	.	H	α-helix	trans	-55.4	-54	172.5	-71.6	162.2	0	0	0	109.6	L224 E227 L228 V231 R285 T286 R291 S292 K293	L224-I289 HydrophobicContact CD1-CG2 3.83Å; E227-I289 HydrophobicContact CB-CD1 4.06Å; E227-I289 HydrophobicContact CB-CG2 4.46Å; E227-I289 WeakPolarHBondContact OE2-CG2 3.36Å; L228-I289 HydrophobicContact CD2-CD1 4.42Å; L228-I289 HydrophobicContact CD2-CG2 4.4Å; V231-I289 HydrophobicContact CG2-CD1 3.54Å; R285-I289 WeakPolarHBondContact O-CG1 3.41Å; R285-I289 PolarHBondContact O-N 2.87Å; T286-I289 PolarHBondContact O-N 3.04Å; I289-R291 VanDerWaalsContact C-N 3.33Å; I289-R291 PolarHBondContact O-N 3.1Å; I289-S292 PolarHBondContact O-N 3.41Å; I289-S292 VanDerWaalsContact O-N 3.1Å; I289-S292 PolarHBondContact O-OG 3.21Å; I289-K293 HydrophobicContact CG2-CG 4.35Å; I289-K293 WeakPolarHBondContact O-CG 3.35Å; I289-K293 PolarHBondContact O-N 2.92Å
290	L	96	Very high	94.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-41.7	-178	-69.1	171.3	0	0	0	112.2	L146 L162 I254 T286 C287 D288 S292 K293 V294 I303	L146-L290 HydrophobicContact CD2-CD1 4.3Å; L162-L290 HydrophobicContact CB-CD1 4.35Å; L162-L290 HydrophobicContact CD1-CD1 3.92Å; L162-L290 HydrophobicContact CD1-CD2 3.76Å; L162-L290 HydrophobicContact CD2-CD2 3.85Å; L162-L290 HydrophobicContact CG-CD1 4.5Å; L162-L290 HydrophobicContact CG-CD2 4.39Å; I254-L290 HydrophobicContact CD1-CB 3.31Å; I254-L290 HydrophobicContact CD1-CD1 4.31Å; I254-L290 HydrophobicContact CD1-CG 4.44Å; T286-L290 HydrophobicContact CG2-CD1 4.1Å; T286-L290 VanDerWaalsContact O-CG 3.3Å; T286-L290 WeakPolarHBondContact O-CG 3.3Å; T286-L290 PolarHBondContact O-N 3.45Å; C287-L290 PolarHBondContact O-N 3.37Å; D288-L290 PolarHBondContact O-N 2.89Å; L290-S292 VanDerWaalsContact C-N 3.28Å; L290-S292 PolarHBondContact O-N 3.11Å; L290-K293 PolarHBondContact O-N 2.87Å; L290-V294 WeakPolarHBondContact O-CB 2.97Å; L290-V294 VanDerWaalsContact O-CG2 3.23Å; L290-V294 WeakPolarHBondContact O-CG2 3.31Å; L290-V294 PolarHBondContact O-N 3.4Å; L290-I303 HydrophobicContact CD2-CD1 4.09Å; L290-I303 HydrophobicContact CD2-CG1 4.35Å
291	R	95.3	Very high	94.9	Very high	93 Å²	93	51.7 Å²	51.7	35%	0.351	26%	0.256	S	S	.	.	H	α-helix	trans	-59.8	-41.2	176.5	-171.2	-174.8	-65	154.5	-0.5	111.1	T251 P253 I254 C287 D288 I289 T295	T251-R291 PolarHBondContact O-NH2 3.24Å; P253-R291 VanDerWaalsContact CD-NH2 3.29Å; I254-R291 HydrophobicContact CG2-CB 4.38Å; I254-R291 HydrophobicContact CG2-CG 4.31Å; C287-R291 VanDerWaalsContact O-CB 3.29Å; C287-R291 WeakPolarHBondContact O-CB 3.33Å; C287-R291 PolarHBondContact O-N 2.85Å; D288-R291 PolarHBondContact O-N 3.36Å; D288-R291 IonicContact OD1-NH1 3.63Å; I289-R291 VanDerWaalsContact C-N 3.33Å; I289-R291 PolarHBondContact O-N 3.1Å; R291-T295 WeakPolarHBondContact O-CG2 3.47Å
292	S	96	Very high	95.3	Very high	62 Å²	62	47.8 Å²	47.8	43%	0.434	24%	0.239	S	C	.	.	H	α-helix	trans	-67.5	-36.1	177.4	79.8	0	0	0	0	113.2	D288 I289 L290 T295	D288-S292 PolarHBondContact O-N 3.36Å; I289-S292 PolarHBondContact O-N 3.41Å; I289-S292 VanDerWaalsContact O-N 3.1Å; I289-S292 PolarHBondContact O-OG 3.21Å; L290-S292 VanDerWaalsContact C-N 3.28Å; L290-S292 PolarHBondContact O-N 3.11Å; S292-T295 PolarHBondContact O-OG1 3.15Å
293	K	95.7	Very high	95.6	Very high	18 Å²	18	47.9 Å²	47.9	8%	0.078	24%	0.239	C	C	.	.	H	α-helix	trans	-79.9	-32.5	-178.6	-62.3	-67.9	-176.4	-179.1	0	112.2	E223 L224 E227 I289 L290 T295 I296 G299 R300 I303	E223-K293 IonicContact OE1-NZ 3.21Å; E223-K293 PolarHBondContact OE1-NZ 3.03Å; L224-K293 HydrophobicContact CD1-CG 4.25Å; E227-K293 WeakPolarHBondContact OE1-CE 3.34Å; E227-K293 IonicContact OE1-NZ 2.78Å; E227-K293 PolarHBondContact OE1-NZ 3.36Å; E227-K293 VanDerWaalsContact OE2-CE 3.28Å; E227-K293 WeakPolarHBondContact OE2-CE 3.49Å; E227-K293 IonicContact OE2-NZ 3.6Å; I289-K293 HydrophobicContact CG2-CG 4.35Å; I289-K293 WeakPolarHBondContact O-CG 3.35Å; I289-K293 PolarHBondContact O-N 2.92Å; L290-K293 PolarHBondContact O-N 2.87Å; K293-T295 VanDerWaalsContact C-N 3.3Å; K293-T295 PolarHBondContact O-N 3Å; K293-I296 WeakPolarHBondContact O-CG1 3.46Å; K293-I296 PolarHBondContact O-N 3.26Å; K293-I296 VanDerWaalsContact O-O 3.13Å; K293-G299 CarbonylContact O-C 3.27Å; K293-G299 VanDerWaalsContact O-C 3.27Å; K293-G299 WeakPolarHBondContact O-CA 3.42Å; K293-R300 PolarHBondContact O-N 2.93Å; K293-I303 HydrophobicContact CB-CD1 3.89Å; K293-I303 HydrophobicContact CB-CG1 4.48Å
294	V	95.5	Very high	95.9	Very high	28 Å²	28	47.4 Å²	47.4	17%	0.17	24%	0.237	C	C	.	.	H	α-helix	trans	-67.6	-28.1	180	169.8	0	0	0	0	112.8	F144 L290 I296 R300 I303	F144-V294 HydrophobicContact CD1-CG1 3.8Å; F144-V294 HydrophobicContact CE1-CB 4.32Å; F144-V294 HydrophobicContact CE1-CG1 3.77Å; F144-V294 HydrophobicContact CE1-CG2 3.67Å; F144-V294 HydrophobicContact CZ-CG2 4.31Å; L290-V294 WeakPolarHBondContact O-CB 2.97Å; L290-V294 VanDerWaalsContact O-CG2 3.23Å; L290-V294 WeakPolarHBondContact O-CG2 3.31Å; L290-V294 PolarHBondContact O-N 3.4Å; V294-I296 VanDerWaalsContact C-N 3.3Å; V294-I296 PolarHBondContact O-N 3.01Å; V294-R300 VanDerWaalsContact O-CD 3.24Å; V294-R300 WeakPolarHBondContact O-CD 3.24Å; V294-R300 VanDerWaalsContact O-CG 3.24Å; V294-R300 WeakPolarHBondContact O-CG 3.48Å; V294-R300 PolarHBondContact O-NH1 3.49Å; V294-I303 HydrophobicContact CG2-CD1 3.65Å
295	T	93.9	Very high	96.2	Very high	103 Å²	103	43.9 Å²	43.9	63%	0.632	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.6	-178.5	54.3	0	0	0	0	113.7	R291 S292 K293 R300	R291-T295 WeakPolarHBondContact O-CG2 3.47Å; S292-T295 PolarHBondContact O-OG1 3.15Å; K293-T295 VanDerWaalsContact C-N 3.3Å; K293-T295 PolarHBondContact O-N 3Å; T295-R300 PolarHBondContact O-NH1 3.48Å
296	I	95.7	Very high	96.3	Very high	83 Å²	83	38.9 Å²	38.9	43%	0.426	20%	0.202	S	C	.	.	S	Bend	trans	-109.2	145.8	-178.5	56.2	165.5	0	0	0	111.5	K293 V294 E298 G299 R300	K293-I296 WeakPolarHBondContact O-CG1 3.46Å; K293-I296 PolarHBondContact O-N 3.26Å; K293-I296 VanDerWaalsContact O-O 3.13Å; V294-I296 VanDerWaalsContact C-N 3.3Å; V294-I296 PolarHBondContact O-N 3.01Å; I296-E298 PolarHBondContact O-N 2.65Å; I296-G299 PolarHBondContact O-N 3.48Å; I296-R300 PolarHBondContact O-N 3.3Å; I296-R300 VanDerWaalsContact O-N 3.12Å; I296-R300 PolarHBondContact O-NH1 2.86Å
297	D	95.1	Very high	96.5	Very high	108 Å²	108	38.7 Å²	38.7	58%	0.578	20%	0.2	S	C	*	.	H	α-helix	trans	-59.3	-47	-177.3	-64.8	0.1	0	0	0	111.6	G299 R300 K301	D297-G299 VanDerWaalsContact C-N 3.35Å; D297-G299 PolarHBondContact O-N 3.49Å; D297-R300 PolarHBondContact O-N 2.92Å; D297-R300 IonicContact OD1-CZ 2.84Å; D297-R300 IonicContact OD1-NH1 3.91Å; D297-R300 IonicContact OD1-NH2 2.74Å; D297-R300 PolarHBondContact OD1-NH2 2.84Å; D297-K301 WeakPolarHBondContact O-CG 3.23Å; D297-K301 PolarHBondContact O-N 2.88Å
298	E	96	Very high	96.6	Very high	123 Å²	123	38.7 Å²	38.7	58%	0.575	20%	0.2	S	C	*	.	H	α-helix	trans	-60.7	-41.9	178.6	-175	172.5	-164.5	0	0	112.3	I296 R300 K301 N302	I296-E298 PolarHBondContact O-N 2.65Å; E298-R300 PolarHBondContact O-N 3.3Å; E298-K301 WeakPolarHBondContact O-CB 3.21Å; E298-K301 PolarHBondContact O-N 2.93Å; E298-N302 PolarHBondContact O-N 2.98Å; E298-N302 PolarHBondContact O-ND2 3.41Å; E298-N302 PolarHBondContact O-OD1 3.16Å
299	G	97.1	Very high	96.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-65.9	-36.2	177.8	0	0	0	0	0	112.7	K293 I296 D297 N302 I303	K293-G299 CarbonylContact O-C 3.27Å; K293-G299 VanDerWaalsContact O-C 3.27Å; K293-G299 WeakPolarHBondContact O-CA 3.42Å; I296-G299 PolarHBondContact O-N 3.48Å; D297-G299 VanDerWaalsContact C-N 3.35Å; D297-G299 PolarHBondContact O-N 3.49Å; G299-N302 PolarHBondContact O-N 3.38Å; G299-I303 VanDerWaalsContact O-CG1 3.29Å; G299-I303 WeakPolarHBondContact O-CG1 3.36Å; G299-I303 PolarHBondContact O-N 3.01Å
300	R	97.5	Very high	96.6	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-65.5	-39.4	172.2	-67	-168.6	-60.9	-84.2	2.9	112.4	L139 F144 K293 V294 T295 I296 D297 E298 H304	L139-R300 PolarHBondContact O-NE 3.08Å; L139-R300 PolarHBondContact O-NH2 3.15Å; L139-R300 VanDerWaalsContact O-NH2 3.14Å; F144-R300 HydrophobicContact CD1-CG 4.19Å; F144-R300 HydrophobicContact CD2-CB 4.07Å; F144-R300 HydrophobicContact CD2-CG 4.07Å; F144-R300 HydrophobicContact CE1-CG 4.27Å; F144-R300 HydrophobicContact CE2-CB 3.99Å; F144-R300 HydrophobicContact CE2-CG 4.13Å; F144-R300 VanDerWaalsContact CG-CD 3.41Å; F144-R300 HydrophobicContact CG-CG 4.09Å; F144-R300 HydrophobicContact CZ-CB 4.45Å; F144-R300 HydrophobicContact CZ-CG 4.22Å; K293-R300 PolarHBondContact O-N 2.93Å; V294-R300 VanDerWaalsContact O-CD 3.24Å; V294-R300 WeakPolarHBondContact O-CD 3.24Å; V294-R300 VanDerWaalsContact O-CG 3.24Å; V294-R300 WeakPolarHBondContact O-CG 3.48Å; V294-R300 PolarHBondContact O-NH1 3.49Å; T295-R300 PolarHBondContact O-NH1 3.48Å; I296-R300 PolarHBondContact O-N 3.3Å; I296-R300 VanDerWaalsContact O-N 3.12Å; I296-R300 PolarHBondContact O-NH1 2.86Å; D297-R300 PolarHBondContact O-N 2.92Å; D297-R300 IonicContact OD1-CZ 2.84Å; D297-R300 IonicContact OD1-NH1 3.91Å; D297-R300 IonicContact OD1-NH2 2.74Å; D297-R300 PolarHBondContact OD1-NH2 2.84Å; E298-R300 PolarHBondContact O-N 3.3Å; R300-H304 WeakPolarHBondContact O-CB 3.47Å; R300-H304 PolarHBondContact O-N 3Å
301	K	97.2	Very high	96.7	Very high	60 Å²	60	33.5 Å²	33.5	26%	0.261	17%	0.173	S	C	.	.	H	α-helix	trans	-61.3	-44.3	173.3	-64.9	177.6	-177.2	-165.5	0	111.4	L123 E135 L139 D297 E298 H304 N305	L123-K301 HydrophobicContact CD1-CB 3.81Å; L123-K301 HydrophobicContact CD1-CD 4.33Å; L123-K301 HydrophobicContact CD1-CG 3.73Å; E135-K301 WeakPolarHBondContact OE1-CE 3.47Å; E135-K301 IonicContact OE1-NZ 3.89Å; E135-K301 PolarHBondContact OE1-NZ 3.18Å; E135-K301 IonicContact OE2-NZ 2.87Å; E135-K301 PolarHBondContact OE2-NZ 3.19Å; E135-K301 VanDerWaalsContact OE2-NZ 3.08Å; L139-K301 HydrophobicContact CD1-CG 3.95Å; D297-K301 WeakPolarHBondContact O-CG 3.23Å; D297-K301 PolarHBondContact O-N 2.88Å; E298-K301 WeakPolarHBondContact O-CB 3.21Å; E298-K301 PolarHBondContact O-N 2.93Å; K301-H304 PolarHBondContact O-N 3.02Å; K301-N305 PolarHBondContact O-N 2.87Å; K301-N305 PolarHBondContact O-ND2 3.49Å
302	N	97.8	Very high	96.7	Very high	11 Å²	11	29 Å²	29	6%	0.059	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-43.4	179.7	-64.5	-15.6	0	0	0	112	G220 E298 G299 M306	G220-N302 VanDerWaalsContact C-CG 3.41Å; G220-N302 VanDerWaalsContact CA-ND2 3.33Å; G220-N302 WeakPolarHBondContact CA-ND2 3.49Å; G220-N302 PolarHBondContact O-ND2 3.4Å; E298-N302 PolarHBondContact O-N 2.98Å; E298-N302 PolarHBondContact O-ND2 3.41Å; E298-N302 PolarHBondContact O-OD1 3.16Å; G299-N302 PolarHBondContact O-N 3.38Å; N302-M306 VanDerWaalsContact O-CB 3.3Å; N302-M306 WeakPolarHBondContact O-CB 3.22Å; N302-M306 PolarHBondContact O-N 3.39Å
303	I	97.8	Very high	96.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-46	175.2	-67.9	166.6	0	0	0	110.9	F144 L146 L149 L224 L290 K293 V294 G299 M306 V307	F144-I303 HydrophobicContact CZ-CG2 4.32Å; L146-I303 HydrophobicContact CD1-CG2 3.74Å; L149-I303 HydrophobicContact CD2-CG2 3.84Å; L224-I303 HydrophobicContact CD2-CG1 3.8Å; L290-I303 HydrophobicContact CD2-CD1 4.09Å; L290-I303 HydrophobicContact CD2-CG1 4.35Å; K293-I303 HydrophobicContact CB-CD1 3.89Å; K293-I303 HydrophobicContact CB-CG1 4.48Å; V294-I303 HydrophobicContact CG2-CD1 3.65Å; G299-I303 VanDerWaalsContact O-CG1 3.29Å; G299-I303 WeakPolarHBondContact O-CG1 3.36Å; G299-I303 PolarHBondContact O-N 3.01Å; I303-M306 PolarHBondContact O-N 2.95Å; I303-V307 HydrophobicContact CG2-CG2 4.3Å; I303-V307 WeakPolarHBondContact O-CG2 3.22Å; I303-V307 PolarHBondContact O-N 2.71Å
304	H	97.6	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.4	-51.6	178	173.6	-116.3	0	0	0	112.1	G121 L139 L149 R300 K301 M306 V307 V308	G121-H304 PolarHBondContact O-CE1 3.42Å; G121-H304 VanDerWaalsContact O-CE1 3.29Å; G121-H304 PolarHBondContact O-NE2 3.02Å; G121-H304 VanDerWaalsContact O-NE2 3.07Å; L139-H304 HydrophobicContact CD1-CB 4.43Å; L139-H304 HydrophobicContact CD2-CB 3.72Å; L149-H304 HydrophobicContact CD2-CB 4.43Å; R300-H304 WeakPolarHBondContact O-CB 3.47Å; R300-H304 PolarHBondContact O-N 3Å; K301-H304 PolarHBondContact O-N 3.02Å; H304-M306 PolarHBondContact O-N 3.41Å; H304-V307 PolarHBondContact O-N 3.47Å; H304-V308 WeakPolarHBondContact O-CG2 3.47Å; H304-V308 PolarHBondContact O-N 2.91Å
305	N	97.7	Very high	96.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-61.8	-43.3	177.6	-75.8	-34.8	0	0	0	111.9	W122 M124 V221 K301 V307 V308 I309	W122-N305 VanDerWaalsContact CD1-OD1 3.27Å; W122-N305 PolarHBondContact NE1-OD1 2.97Å; M124-N305 HydrophobicContact CE-CB 3.79Å; M124-N305 HydrophobicContact SD-CB 4.37Å; V221-N305 HydrophobicContact CG2-CB 3.55Å; K301-N305 PolarHBondContact O-N 2.87Å; K301-N305 PolarHBondContact O-ND2 3.49Å; N305-V307 PolarHBondContact O-N 3.26Å; N305-V308 PolarHBondContact O-N 3.31Å; N305-I309 WeakPolarHBondContact O-CB 3.42Å; N305-I309 WeakPolarHBondContact O-CD1 3.07Å; N305-I309 WeakPolarHBondContact O-CG1 3.31Å; N305-I309 PolarHBondContact O-N 2.91Å
306	M	98	Very high	95.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-46.4	177.1	174.8	173.4	-90.7	0	0	112	A161 L162 F182 V221 L224 L228 N302 I303 H304 I309 D310	A161-M306 HydrophobicContact CB-CG 4.01Å; A161-M306 HydrophobicContact CB-SD 4.08Å; L162-M306 HydrophobicContact CD2-SD 4.2Å; F182-M306 HydrophobicContact CD2-CE 4.39Å; F182-M306 HydrophobicContact CE2-CE 4.02Å; F182-M306 HydrophobicContact CE2-CG 3.85Å; F182-M306 HydrophobicContact CZ-CB 4.38Å; F182-M306 HydrophobicContact CZ-CE 4.31Å; F182-M306 HydrophobicContact CZ-CG 3.83Å; V221-M306 HydrophobicContact CG1-CB 4.25Å; L224-M306 HydrophobicContact CB-CE 4.24Å; L224-M306 HydrophobicContact CD2-CB 4.42Å; L224-M306 HydrophobicContact CD2-CE 4.2Å; L224-M306 HydrophobicContact CD2-SD 3.69Å; L224-M306 HydrophobicContact CG-CE 3.94Å; L224-M306 HydrophobicContact CG-SD 3.93Å; L228-M306 HydrophobicContact CD1-CE 4.21Å; L228-M306 HydrophobicContact CD1-SD 3.84Å; N302-M306 VanDerWaalsContact O-CB 3.3Å; N302-M306 WeakPolarHBondContact O-CB 3.22Å; N302-M306 PolarHBondContact O-N 3.39Å; I303-M306 PolarHBondContact O-N 2.95Å; H304-M306 PolarHBondContact O-N 3.41Å; M306-I309 PolarHBondContact O-N 3.15Å; M306-D310 VanDerWaalsContact O-CB 3.3Å; M306-D310 WeakPolarHBondContact O-CB 3.21Å; M306-D310 PolarHBondContact O-N 2.77Å
307	V	97.9	Very high	95.3	Very high	2 Å²	2	24 Å²	24	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-41.6	-179.3	172.1	0	0	0	0	111.5	F119 L149 L150 I303 H304 N305 D310 F311	F119-V307 HydrophobicContact CE1-CG1 3.91Å; L149-V307 HydrophobicContact CD1-CB 4.27Å; L149-V307 HydrophobicContact CD1-CG1 4.07Å; L149-V307 HydrophobicContact CD2-CB 4.44Å; L149-V307 HydrophobicContact CD2-CG2 4.22Å; L149-V307 HydrophobicContact CG-CB 4.15Å; L149-V307 HydrophobicContact CG-CG1 4.03Å; L149-V307 HydrophobicContact CG-CG2 4.19Å; L149-V307 WeakPolarHBondContact O-CG1 3.43Å; L150-V307 HydrophobicContact CD2-CG1 4.4Å; L150-V307 HydrophobicContact CD2-CG2 3.72Å; I303-V307 HydrophobicContact CG2-CG2 4.3Å; I303-V307 WeakPolarHBondContact O-CG2 3.22Å; I303-V307 PolarHBondContact O-N 2.71Å; H304-V307 PolarHBondContact O-N 3.47Å; N305-V307 PolarHBondContact O-N 3.26Å; V307-D310 PolarHBondContact O-N 2.92Å; V307-F311 WeakPolarHBondContact O-CB 3.38Å; V307-F311 PolarHBondContact O-N 2.83Å
308	V	97.6	Very high	94.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.9	-41	177.5	177.1	0	0	0	0	111.4	I115 F119 W122 H304 N305 F311 L312	I115-V308 HydrophobicContact CD1-CG1 4.36Å; I115-V308 HydrophobicContact CG2-CG1 4.24Å; F119-V308 HydrophobicContact CB-CG2 4.11Å; F119-V308 HydrophobicContact CD1-CG2 4.12Å; F119-V308 HydrophobicContact CD2-CG2 3.9Å; F119-V308 HydrophobicContact CE2-CG2 4.32Å; F119-V308 HydrophobicContact CG-CG2 3.78Å; W122-V308 HydrophobicContact CB-CG1 4.19Å; W122-V308 HydrophobicContact CD2-CG1 3.88Å; W122-V308 HydrophobicContact CG-CB 4.35Å; W122-V308 HydrophobicContact CG-CG1 3.71Å; H304-V308 WeakPolarHBondContact O-CG2 3.47Å; H304-V308 PolarHBondContact O-N 2.91Å; N305-V308 PolarHBondContact O-N 3.31Å; V308-F311 PolarHBondContact O-N 2.8Å; V308-L312 HydrophobicContact CG1-CD1 4.1Å; V308-L312 WeakPolarHBondContact O-CG 3.49Å; V308-L312 PolarHBondContact O-N 3.32Å
309	I	97.3	Very high	94.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.5	-46.4	176.4	-68.4	165	0	0	0	110.7	W122 M124 F182 L205 M218 V221 N305 M306 F311 L312 Y313	W122-I309 HydrophobicContact CZ2-CG1 4.4Å; M124-I309 HydrophobicContact CE-CD1 4.04Å; M124-I309 HydrophobicContact SD-CD1 3.97Å; F182-I309 HydrophobicContact CE1-CB 4.21Å; F182-I309 HydrophobicContact CE1-CD1 4.27Å; F182-I309 HydrophobicContact CE1-CG2 3.62Å; F182-I309 HydrophobicContact CZ-CB 4Å; F182-I309 HydrophobicContact CZ-CG2 3.69Å; L205-I309 HydrophobicContact CD1-CD1 3.7Å; L205-I309 HydrophobicContact CD1-CG1 3.68Å; L205-I309 HydrophobicContact CD1-CG2 4.43Å; L205-I309 HydrophobicContact CD2-CG1 4.04Å; L205-I309 HydrophobicContact CD2-CG2 4.36Å; M218-I309 HydrophobicContact CE-CD1 4.36Å; M218-I309 HydrophobicContact SD-CD1 3.87Å; V221-I309 HydrophobicContact CG1-CD1 4.2Å; N305-I309 WeakPolarHBondContact O-CB 3.42Å; N305-I309 WeakPolarHBondContact O-CD1 3.07Å; N305-I309 WeakPolarHBondContact O-CG1 3.31Å; N305-I309 PolarHBondContact O-N 2.91Å; M306-I309 PolarHBondContact O-N 3.15Å; I309-F311 VanDerWaalsContact C-N 3.32Å; I309-F311 PolarHBondContact O-N 2.74Å; I309-L312 PolarHBondContact O-N 3.06Å; I309-Y313 WeakPolarHBondContact O-CB 3.36Å; I309-Y313 PolarHBondContact O-N 3.42Å
310	D	96.4	Very high	94.2	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-60.7	-40.6	177	175.5	57.4	0	0	0	112.2	T160 A161 M306 V307 Y313 K314	T160-D310 WeakPolarHBondContact CA-OD2 3.47Å; A161-D310 HydrophobicContact CB-CB 4.07Å; A161-D310 PolarHBondContact N-OD2 2.9Å; M306-D310 VanDerWaalsContact O-CB 3.3Å; M306-D310 WeakPolarHBondContact O-CB 3.21Å; M306-D310 PolarHBondContact O-N 2.77Å; V307-D310 PolarHBondContact O-N 2.92Å; D310-Y313 PolarHBondContact O-N 3.09Å; D310-K314 WeakPolarHBondContact O-CG 3.48Å; D310-K314 PolarHBondContact O-N 3.37Å; D310-K314 VanDerWaalsContact O-N 3.08Å; D310-K314 VanDerWaalsContact OD1-CE 3.32Å; D310-K314 WeakPolarHBondContact OD1-CE 3.46Å; D310-K314 IonicContact OD1-NZ 2.65Å; D310-K314 PolarHBondContact OD1-NZ 3.25Å; D310-K314 IonicContact OD2-NZ 2.98Å; D310-K314 PolarHBondContact OD2-NZ 3.42Å
311	F	97	Very high	93.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.9	-48	173.1	175	-93.5	0	0	0	112.1	L114 L118 F119 Q156 V307 V308 I309 Y313 K314 M315 Y438	L114-F311 HydrophobicContact CD2-CE1 3.96Å; L114-F311 HydrophobicContact CD2-CZ 4.14Å; L118-F311 HydrophobicContact CD1-CE1 4.06Å; L118-F311 HydrophobicContact CD1-CE2 3.9Å; L118-F311 HydrophobicContact CD1-CZ 3.4Å; L118-F311 VanDerWaalsContact CD1-CZ 3.4Å; F119-F311 HydrophobicContact CE2-CB 4.15Å; F119-F311 AromaticContact CE2-CD1 3.72Å; F119-F311 HydrophobicContact CE2-CD1 3.72Å; F119-F311 HydrophobicContact CE2-CD2 4.24Å; F119-F311 HydrophobicContact CE2-CE1 4.17Å; F119-F311 AromaticContact CE2-CG 3.76Å; F119-F311 HydrophobicContact CE2-CG 3.76Å; F119-F311 HydrophobicContact CZ-CB 3.86Å; F119-F311 HydrophobicContact CZ-CD1 4.2Å; F119-F311 AromaticContact CZ-CD2 3.98Å; F119-F311 HydrophobicContact CZ-CD2 3.98Å; F119-F311 AromaticContact CZ-CG 3.74Å; F119-F311 HydrophobicContact CZ-CG 3.74Å; Q156-F311 HydrophobicContact CB-CE2 4.48Å; Q156-F311 VanDerWaalsContact OE1-CD2 3.29Å; Q156-F311 PolarHBondContact OE1-O 2.8Å; V307-F311 WeakPolarHBondContact O-CB 3.38Å; V307-F311 PolarHBondContact O-N 2.83Å; V308-F311 PolarHBondContact O-N 2.8Å; I309-F311 VanDerWaalsContact C-N 3.32Å; I309-F311 PolarHBondContact O-N 2.74Å; F311-Y313 PolarHBondContact O-N 3.19Å; F311-K314 PolarHBondContact O-N 2.92Å; F311-M315 HydrophobicContact CD1-SD 4.39Å; F311-M315 HydrophobicContact CE1-CG 4.13Å; F311-M315 HydrophobicContact CE1-SD 3.5Å; F311-M315 VanDerWaalsContact CE1-SD 3.5Å; F311-M315 HydrophobicContact CZ-CG 4.24Å; F311-M315 HydrophobicContact CZ-SD 3.69Å; F311-M315 PolarHBondContact O-N 3.13Å; F311-Y438 AromaticContact CE2-CD2 3.89Å; F311-Y438 HydrophobicContact CE2-CD2 3.89Å; F311-Y438 HydrophobicContact CE2-CE2 4.04Å; F311-Y438 HydrophobicContact CZ-CD2 4.03Å
312	L	95.7	Very high	93.2	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.5	-40.1	178.6	-73.5	169.2	0	0	0	112	I111 I115 W122 L205 V208 V308 I309 K314 M315 G316 L319 F326	I111-L312 HydrophobicContact CG2-CD2 3.88Å; I115-L312 HydrophobicContact CD1-CD1 4.04Å; I115-L312 HydrophobicContact CD1-CD2 4.13Å; I115-L312 HydrophobicContact CD1-CG 4.46Å; W122-L312 HydrophobicContact CH2-CD1 4.15Å; W122-L312 HydrophobicContact CZ3-CD1 4.21Å; L205-L312 HydrophobicContact CD2-CD1 4.3Å; V208-L312 HydrophobicContact CG2-CD1 4.02Å; V308-L312 HydrophobicContact CG1-CD1 4.1Å; V308-L312 WeakPolarHBondContact O-CG 3.49Å; V308-L312 PolarHBondContact O-N 3.32Å; I309-L312 PolarHBondContact O-N 3.06Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-K314 PolarHBondContact O-N 2.88Å; L312-M315 CarbonylContact O-C 3.56Å; L312-M315 WeakPolarHBondContact O-CA 3.11Å; L312-M315 WeakPolarHBondContact O-CB 3.12Å; L312-M315 PolarHBondContact O-N 2.94Å; L312-M315 VanDerWaalsContact O-N 3.09Å; L312-G316 PolarHBondContact O-N 3.11Å; L312-L319 HydrophobicContact CD2-CD1 4.16Å; L312-L319 WeakPolarHBondContact O-CD1 3.46Å; L312-F326 HydrophobicContact CB-CZ 4.35Å
313	Y	93.3	Very high	92.9	Very high	42 Å²	42	14.9 Å²	14.9	17%	0.165	7%	0.071	C	C	.	.	H	α-helix	trans	-57.1	-45	173.6	170.6	-105.4	0	0	0	111.6	D180 A181 I309 D310 F311 M315 G316 Y327	D180-Y313 HydrophobicContact CB-CE1 3.57Å; A181-Y313 HydrophobicContact CB-CD1 3.65Å; A181-Y313 HydrophobicContact CB-CD2 4.19Å; A181-Y313 HydrophobicContact CB-CE1 4.44Å; A181-Y313 HydrophobicContact CB-CG 3.5Å; I309-Y313 WeakPolarHBondContact O-CB 3.36Å; I309-Y313 PolarHBondContact O-N 3.42Å; D310-Y313 PolarHBondContact O-N 3.09Å; F311-Y313 PolarHBondContact O-N 3.19Å; Y313-M315 VanDerWaalsContact C-N 3.26Å; Y313-M315 PolarHBondContact O-N 2.94Å; Y313-G316 WeakPolarHBondContact O-CA 3.43Å; Y313-G316 PolarHBondContact O-N 3.26Å; Y313-Y327 AromaticContact CD2-CD1 3.33Å; Y313-Y327 HydrophobicContact CD2-CD1 3.33Å; Y313-Y327 HydrophobicContact CD2-CD2 4.11Å; Y313-Y327 AromaticContact CD2-CE1 3.53Å; Y313-Y327 HydrophobicContact CD2-CE1 3.53Å; Y313-Y327 HydrophobicContact CD2-CE2 4.28Å; Y313-Y327 AromaticContact CD2-CG 3.63Å; Y313-Y327 HydrophobicContact CD2-CG 3.63Å; Y313-Y327 AromaticContact CD2-CZ 3.99Å; Y313-Y327 AromaticContact CE2-CD1 3.57Å; Y313-Y327 HydrophobicContact CE2-CD1 3.57Å; Y313-Y327 HydrophobicContact CE2-CE1 4.04Å; Y313-Y327 HydrophobicContact CE2-CG 4.07Å; Y313-Y327 HydrophobicContact CG-CE1 4.44Å
314	K	91.6	Very high	92.2	Very high	40 Å²	40	22.7 Å²	22.7	17%	0.174	11%	0.107	C	C	.	.	H	α-helix	trans	-69.1	-23	176.6	-74.2	164.3	-179.8	152.5	0	113.4	Q156 V159 D310 F311 L312 G316	Q156-K314 VanDerWaalsContact NE2-C 3.27Å; Q156-K314 PolarHBondContact NE2-O 2.53Å; V159-K314 VanDerWaalsContact C-NZ 3.3Å; V159-K314 PolarHBondContact O-NZ 3Å; D310-K314 WeakPolarHBondContact O-CG 3.48Å; D310-K314 PolarHBondContact O-N 3.37Å; D310-K314 VanDerWaalsContact O-N 3.08Å; D310-K314 VanDerWaalsContact OD1-CE 3.32Å; D310-K314 WeakPolarHBondContact OD1-CE 3.46Å; D310-K314 IonicContact OD1-NZ 2.65Å; D310-K314 PolarHBondContact OD1-NZ 3.25Å; D310-K314 IonicContact OD2-NZ 2.98Å; D310-K314 PolarHBondContact OD2-NZ 3.42Å; F311-K314 PolarHBondContact O-N 2.92Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-K314 PolarHBondContact O-N 2.88Å; K314-G316 PolarHBondContact O-N 3.16Å
315	M	90.2	Very high	91.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	2.3	166.3	-69.7	-160.1	76.3	0	0	113.5	L114 F311 L312 Y313 N317 Y318 L319 F434	L114-M315 HydrophobicContact CD2-CE 4Å; L114-M315 HydrophobicContact CD2-SD 3.51Å; L114-M315 VanDerWaalsContact CD2-SD 3.51Å; F311-M315 HydrophobicContact CD1-SD 4.39Å; F311-M315 HydrophobicContact CE1-CG 4.13Å; F311-M315 HydrophobicContact CE1-SD 3.5Å; F311-M315 VanDerWaalsContact CE1-SD 3.5Å; F311-M315 HydrophobicContact CZ-CG 4.24Å; F311-M315 HydrophobicContact CZ-SD 3.69Å; F311-M315 PolarHBondContact O-N 3.13Å; L312-M315 CarbonylContact O-C 3.56Å; L312-M315 WeakPolarHBondContact O-CA 3.11Å; L312-M315 WeakPolarHBondContact O-CB 3.12Å; L312-M315 PolarHBondContact O-N 2.94Å; L312-M315 VanDerWaalsContact O-N 3.09Å; Y313-M315 VanDerWaalsContact C-N 3.26Å; Y313-M315 PolarHBondContact O-N 2.94Å; M315-N317 VanDerWaalsContact C-N 3.28Å; M315-N317 PolarHBondContact O-N 3.37Å; M315-N317 VanDerWaalsContact O-N 3.11Å; M315-Y318 HydrophobicContact CE-CD2 4.29Å; M315-Y318 WeakPolarHBondContact O-CB 3.3Å; M315-Y318 PolarHBondContact O-N 3.32Å; M315-L319 HydrophobicContact CB-CD1 3.95Å; M315-L319 HydrophobicContact CB-CG 4.17Å; M315-L319 PolarHBondContact O-N 2.94Å; M315-L319 VanDerWaalsContact O-N 3.1Å; M315-F434 HydrophobicContact CE-CD1 3.98Å
316	G	88.5	Confident	90.8	Very high	5 Å²	5	28.3 Å²	28.3	5%	0.052	14%	0.138	C	C	.	.	H	α-helix	trans	-47.9	-44	-173.4	0	0	0	0	0	114.2	L312 Y313 K314 Y318 L319 Q320	L312-G316 PolarHBondContact O-N 3.11Å; Y313-G316 WeakPolarHBondContact O-CA 3.43Å; Y313-G316 PolarHBondContact O-N 3.26Å; K314-G316 PolarHBondContact O-N 3.16Å; G316-Y318 VanDerWaalsContact C-N 3.27Å; G316-Y318 PolarHBondContact O-N 2.97Å; G316-L319 PolarHBondContact O-N 3.2Å; G316-L319 VanDerWaalsContact O-N 3.09Å; G316-Q320 VanDerWaalsContact O-CB 3.32Å; G316-Q320 WeakPolarHBondContact O-CB 3.38Å; G316-Q320 VanDerWaalsContact O-CG 3.24Å; G316-Q320 WeakPolarHBondContact O-CG 3.33Å; G316-Q320 PolarHBondContact O-N 3.1Å
317	N	82.8	Confident	90.1	Very high	100 Å²	100	28.4 Å²	28.4	54%	0.535	14%	0.138	S	C	.	.	H	α-helix	trans	-58	-36.8	178.6	-68.1	-14.5	0	0	0	113.3	M315	M315-N317 VanDerWaalsContact C-N 3.28Å; M315-N317 PolarHBondContact O-N 3.37Å; M315-N317 VanDerWaalsContact O-N 3.11Å
318	Y	87.4	Confident	88.8	Confident	16 Å²	16	30 Å²	30	6%	0.063	15%	0.148	C	C	.	.	H	α-helix	trans	-78.7	-34.9	177.5	-58.2	-76.9	0	0	0	111.6	M315 G316 Y322 E341 Y433 A437	M315-Y318 HydrophobicContact CE-CD2 4.29Å; M315-Y318 WeakPolarHBondContact O-CB 3.3Å; M315-Y318 PolarHBondContact O-N 3.32Å; G316-Y318 VanDerWaalsContact C-N 3.27Å; G316-Y318 PolarHBondContact O-N 2.97Å; Y318-Y322 WeakPolarHBondContact O-CD2 3.15Å; Y318-Y322 WeakPolarHBondContact O-CE2 3.49Å; Y318-E341 WeakPolarHBondContact CD1-OE2 2.87Å; Y318-E341 HydrophobicContact CE1-CG 4.23Å; Y318-E341 WeakPolarHBondContact CE1-OE2 3.25Å; Y318-Y433 WeakPolarHBondContact CD1-OH 3.42Å; Y318-A437 HydrophobicContact CD1-CB 4.39Å; Y318-A437 HydrophobicContact CE1-CB 4.12Å
319	L	90.5	Very high	87.3	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-78.4	-34.6	-176.6	-64.3	175.1	0	0	0	112.5	I111 V208 L312 M315 G316 Q321 Y322 F323 F326 F434	I111-L319 HydrophobicContact CD1-CD2 3.44Å; I111-L319 VanDerWaalsContact CD1-CD2 3.44Å; I111-L319 HydrophobicContact CG1-CD2 3.91Å; V208-L319 HydrophobicContact CG1-CD1 4.23Å; V208-L319 HydrophobicContact CG1-CD2 4.43Å; L312-L319 HydrophobicContact CD2-CD1 4.16Å; L312-L319 WeakPolarHBondContact O-CD1 3.46Å; M315-L319 HydrophobicContact CB-CD1 3.95Å; M315-L319 HydrophobicContact CB-CG 4.17Å; M315-L319 PolarHBondContact O-N 2.94Å; M315-L319 VanDerWaalsContact O-N 3.1Å; G316-L319 PolarHBondContact O-N 3.2Å; G316-L319 VanDerWaalsContact O-N 3.09Å; L319-Q321 PolarHBondContact O-N 3.35Å; L319-Y322 PolarHBondContact O-N 2.93Å; L319-F323 PolarHBondContact O-N 2.99Å; L319-F326 HydrophobicContact CB-CD1 3.84Å; L319-F326 HydrophobicContact CB-CE1 4.09Å; L319-F326 HydrophobicContact CB-CG 4.33Å; L319-F326 HydrophobicContact CD1-CD1 4.15Å; L319-F326 HydrophobicContact CD1-CE1 3.52Å; L319-F326 HydrophobicContact CD1-CE2 4.45Å; L319-F326 HydrophobicContact CD1-CZ 3.71Å; L319-F326 HydrophobicContact CG-CE1 4.45Å; L319-F434 HydrophobicContact CD2-CE1 3.91Å; L319-F434 HydrophobicContact CD2-CZ 4.46Å
320	Q	88	Confident	85.4	Confident	22 Å²	22	38.6 Å²	38.6	10%	0.103	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24	177.5	-79.7	171.6	-9.9	0	0	113.2	G316 Y322 F323 E324 F326 Y327	G316-Q320 VanDerWaalsContact O-CB 3.32Å; G316-Q320 WeakPolarHBondContact O-CB 3.38Å; G316-Q320 VanDerWaalsContact O-CG 3.24Å; G316-Q320 WeakPolarHBondContact O-CG 3.33Å; G316-Q320 PolarHBondContact O-N 3.1Å; Q320-Y322 PolarHBondContact O-N 2.97Å; Q320-F323 WeakPolarHBondContact CA-O 3.39Å; Q320-F323 CarbonylContact O-C 3.57Å; Q320-E324 WeakPolarHBondContact O-CA 3.44Å; Q320-E324 PolarHBondContact O-N 3.29Å; Q320-F326 HydrophobicContact CG-CB 4.44Å; Q320-F326 WeakPolarHBondContact CG-O 3.39Å; Q320-F326 PolarHBondContact NE2-O 3.32Å; Q320-Y327 PolarHBondContact NE2-O 2.97Å
321	Q	85.2	Confident	83.5	Confident	52 Å²	52	43.2 Å²	43.2	24%	0.243	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.4	171.9	-172.3	-175.3	13.9	0	0	112.6	L319 P335	L319-Q321 PolarHBondContact O-N 3.35Å; Q321-P335 HydrophobicContact CB-CB 4.19Å
322	Y	89.6	Confident	81.3	Confident	19 Å²	19	51.2 Å²	51.2	8%	0.075	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-29.6	-175.7	-54.1	-80.1	0	0	0	112.4	A99 S100 K104 I107 Y318 L319 Q320 Y433 F434	A99-Y322 WeakPolarHBondContact CB-OH 2.94Å; A99-Y322 WeakPolarHBondContact O-CE1 3.36Å; S100-Y322 PolarHBondContact N-OH 3.32Å; K104-Y322 WeakPolarHBondContact CE-O 3.28Å; I107-Y322 HydrophobicContact CB-CD1 4.49Å; I107-Y322 HydrophobicContact CD1-CD1 3.64Å; I107-Y322 HydrophobicContact CD1-CE1 3.4Å; I107-Y322 VanDerWaalsContact CD1-CE1 3.4Å; I107-Y322 HydrophobicContact CD1-CE2 4.37Å; I107-Y322 HydrophobicContact CD1-CG 4.2Å; I107-Y322 HydrophobicContact CG1-CD1 3.56Å; I107-Y322 HydrophobicContact CG1-CE1 3.88Å; I107-Y322 HydrophobicContact CG1-CG 4.02Å; I107-Y322 HydrophobicContact CG2-CD1 4.3Å; I107-Y322 HydrophobicContact CG2-CD2 4.13Å; I107-Y322 HydrophobicContact CG2-CG 3.86Å; Y318-Y322 WeakPolarHBondContact O-CD2 3.15Å; Y318-Y322 WeakPolarHBondContact O-CE2 3.49Å; L319-Y322 PolarHBondContact O-N 2.93Å; Q320-Y322 PolarHBondContact O-N 2.97Å; Y322-Y433 HydrophobicContact CE2-CE1 4.22Å; Y322-F434 AromaticContact CD2-CZ 3.99Å; Y322-F434 HydrophobicContact CD2-CZ 3.99Å; Y322-F434 HydrophobicContact CE2-CE1 4.17Å; Y322-F434 AromaticContact CE2-CZ 3.7Å; Y322-F434 HydrophobicContact CE2-CZ 3.7Å
323	F	89.6	Confident	79.6	Confident	8 Å²	8	59 Å²	59	4%	0.035	30%	0.297	C	S	.	.			trans	-127.9	82.5	-179.1	-52.6	-71.9	0	0	0	108.1	K104 I107 I111 N207 V208 L319 Q320 D325 F326	K104-F323 HydrophobicContact CB-CE1 4.01Å; K104-F323 HydrophobicContact CB-CZ 4.5Å; K104-F323 HydrophobicContact CD-CD1 4.18Å; K104-F323 HydrophobicContact CD-CE1 4.02Å; K104-F323 HydrophobicContact CG-CE1 4.03Å; I107-F323 HydrophobicContact CG2-CE2 3.78Å; I107-F323 HydrophobicContact CG2-CZ 4.09Å; I111-F323 HydrophobicContact CD1-CE2 3.95Å; N207-F323 HydrophobicContact CB-CB 4.32Å; N207-F323 HydrophobicContact CB-CD1 3.64Å; N207-F323 HydrophobicContact CB-CD2 4.41Å; N207-F323 HydrophobicContact CB-CE1 3.97Å; N207-F323 HydrophobicContact CB-CG 3.88Å; N207-F323 HydrophobicContact CB-CZ 4.49Å; N207-F323 WeakPolarHBondContact O-CE1 3.45Å; N207-F323 WeakPolarHBondContact O-CZ 3.29Å; V208-F323 HydrophobicContact CG1-CD2 4.17Å; V208-F323 HydrophobicContact CG1-CE2 4.14Å; L319-F323 PolarHBondContact O-N 2.99Å; Q320-F323 WeakPolarHBondContact CA-O 3.39Å; Q320-F323 CarbonylContact O-C 3.57Å; F323-D325 PolarHBondContact O-N 3.04Å; F323-D325 VanDerWaalsContact O-N 3.1Å; F323-F326 HydrophobicContact CB-CB 3.87Å; F323-F326 WeakPolarHBondContact O-CB 3.45Å; F323-F326 PolarHBondContact O-N 3.31Å
324	E	84	Confident	78.1	Confident	165 Å²	165	65.9 Å²	65.9	77%	0.771	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-37.5	-174.3	-64.9	177.6	176.7	0	0	113	Q320 F326	Q320-E324 WeakPolarHBondContact O-CA 3.44Å; Q320-E324 PolarHBondContact O-N 3.29Å; E324-F326 VanDerWaalsContact C-N 3.27Å; E324-F326 PolarHBondContact O-N 2.93Å
325	D	82.2	Confident	76.8	Confident	119 Å²	119	66.8 Å²	66.8	64%	0.636	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-0.4	178.1	-57.8	-39.6	0	0	0	114.1	Y204 F323 Y327 P328	Y204-D325 WeakPolarHBondContact CD1-O 3.15Å; Y204-D325 HydrophobicContact CE1-CB 4.47Å; Y204-D325 WeakPolarHBondContact CE1-O 3.36Å; F323-D325 PolarHBondContact O-N 3.04Å; F323-D325 VanDerWaalsContact O-N 3.1Å; D325-Y327 PolarHBondContact O-N 3.09Å; D325-Y327 VanDerWaalsContact O-N 3.11Å; D325-P328 WeakPolarHBondContact O-CD 3.45Å
326	F	84.6	Confident	75.9	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.351	C	S	.	.	S	Bend	trans	-71.2	109.2	-177.4	-173.5	-95.1	0	0	0	110.4	Y204 V208 L312 L319 Q320 F323 E324	Y204-F326 WeakPolarHBondContact O-CD2 3.4Å; V208-F326 HydrophobicContact CG1-CD2 3.97Å; V208-F326 HydrophobicContact CG1-CE2 3.66Å; V208-F326 HydrophobicContact CG1-CZ 4.31Å; V208-F326 HydrophobicContact CG2-CE2 3.99Å; L312-F326 HydrophobicContact CB-CZ 4.35Å; L319-F326 HydrophobicContact CB-CD1 3.84Å; L319-F326 HydrophobicContact CB-CE1 4.09Å; L319-F326 HydrophobicContact CB-CG 4.33Å; L319-F326 HydrophobicContact CD1-CD1 4.15Å; L319-F326 HydrophobicContact CD1-CE1 3.52Å; L319-F326 HydrophobicContact CD1-CE2 4.45Å; L319-F326 HydrophobicContact CD1-CZ 3.71Å; L319-F326 HydrophobicContact CG-CE1 4.45Å; Q320-F326 HydrophobicContact CG-CB 4.44Å; Q320-F326 WeakPolarHBondContact CG-O 3.39Å; Q320-F326 PolarHBondContact NE2-O 3.32Å; F323-F326 HydrophobicContact CB-CB 3.87Å; F323-F326 WeakPolarHBondContact O-CB 3.45Å; F323-F326 PolarHBondContact O-N 3.31Å; E324-F326 VanDerWaalsContact C-N 3.27Å; E324-F326 PolarHBondContact O-N 2.93Å
327	Y	82.3	Confident	75.6	Confident	3 Å²	3	72.7 Å²	72.7	1%	0.012	37%	0.374	C	S	.	.	S	Bend	trans	48.7	66.6	-179	-80.2	-88.5	0	0	0	112.7	A181 L187 I201 Y204 Y313 Q320 D325 T329	A181-Y327 WeakPolarHBondContact O-CE1 3.23Å; A181-Y327 PolarHBondContact O-OH 3.01Å; L187-Y327 HydrophobicContact CD2-CD1 3.36Å; L187-Y327 HydrophobicContact CD2-CE1 3.66Å; L187-Y327 HydrophobicContact CD2-CG 4.39Å; I201-Y327 HydrophobicContact CG1-CE1 4.06Å; I201-Y327 VanDerWaalsContact CG2-OH 3.3Å; I201-Y327 WeakPolarHBondContact CG2-OH 3.46Å; Y204-Y327 HydrophobicContact CD2-CD1 4.41Å; Y204-Y327 AromaticContact CD2-CD2 4Å; Y204-Y327 HydrophobicContact CD2-CD2 4Å; Y204-Y327 HydrophobicContact CD2-CE2 4.3Å; Y204-Y327 HydrophobicContact CD2-CG 4.08Å; Y313-Y327 AromaticContact CD2-CD1 3.33Å; Y313-Y327 HydrophobicContact CD2-CD1 3.33Å; Y313-Y327 HydrophobicContact CD2-CD2 4.11Å; Y313-Y327 AromaticContact CD2-CE1 3.53Å; Y313-Y327 HydrophobicContact CD2-CE1 3.53Å; Y313-Y327 HydrophobicContact CD2-CE2 4.28Å; Y313-Y327 AromaticContact CD2-CG 3.63Å; Y313-Y327 HydrophobicContact CD2-CG 3.63Å; Y313-Y327 AromaticContact CD2-CZ 3.99Å; Y313-Y327 AromaticContact CE2-CD1 3.57Å; Y313-Y327 HydrophobicContact CE2-CD1 3.57Å; Y313-Y327 HydrophobicContact CE2-CE1 4.04Å; Y313-Y327 HydrophobicContact CE2-CG 4.07Å; Y313-Y327 HydrophobicContact CG-CE1 4.44Å; Q320-Y327 PolarHBondContact NE2-O 2.97Å; D325-Y327 PolarHBondContact O-N 3.09Å; D325-Y327 VanDerWaalsContact O-N 3.11Å; Y327-T329 WeakPolarHBondContact O-CG2 3.41Å; Y327-T329 PolarHBondContact O-N 3.43Å
328	P	71.7	Confident	75.9	Confident	35 Å²	35	68.6 Å²	68.6	23%	0.227	35%	0.353	C	S	.	.			trans	-62.7	131.3	-175.3	28.2	-33.3	0	0	0	110.1	N188 Y204 D325	N188-P328 PolarHBondContact N-O 3.37Å; Y204-P328 WeakPolarHBondContact OH-CD 3.2Å; Y204-P328 WeakPolarHBondContact OH-CG 3.41Å; D325-P328 WeakPolarHBondContact O-CD 3.45Å
329	T	66.2	Low	75.8	Confident	56 Å²	56	69.1 Å²	69.1	34%	0.344	36%	0.356	S	S	.	.			trans	-113.1	154.5	179.1	71.6	0	0	0	0	110.9	Y327 N331	Y327-T329 WeakPolarHBondContact O-CG2 3.41Å; Y327-T329 PolarHBondContact O-N 3.43Å; T329-N331 PolarHBondContact O-N 3.15Å; T329-N331 VanDerWaalsContact O-N 3.11Å
330	N	56.9	Low	75.5	Confident	125 Å²	125	70.4 Å²	70.4	67%	0.668	37%	0.369	S	S	*	.	S	Bend	trans	-63.8	-9.8	175.3	-83.5	-15.9	0	0	0	114.3	N188 D332	N188-N330 PolarHBondContact ND2-OD1 3.37Å; N188-N330 PolarHBondContact OD1-OD1 3.15Å; N330-D332 PolarHBondContact O-N 2.91Å
331	N	55.5	Low	75.3	Confident	98 Å²	98	69.4 Å²	69.4	52%	0.524	36%	0.364	S	S	.	.			trans	-75.3	117.8	179.5	-72.2	-28.5	0	0	0	108.7	T329 K333	T329-N331 PolarHBondContact O-N 3.15Å; T329-N331 VanDerWaalsContact O-N 3.11Å; N331-K333 HydrophobicContact CB-CB 4.06Å; N331-K333 HydrophobicContact CB-CD 4.12Å; N331-K333 HydrophobicContact CB-CG 3.96Å; N331-K333 PolarHBondContact O-N 3.11Å
332	D	51.9	Low	75.4	Confident	168 Å²	168	66.9 Å²	66.9	90%	0.898	35%	0.353	S	S	*	.			trans	-60.3	14.8	163.9	-73.1	-39	0	0	0	113.3	N330 K334	N330-D332 PolarHBondContact O-N 2.91Å; D332-K334 PolarHBondContact O-N 3.02Å
333	K	58.9	Low	75.1	Confident	162 Å²	162	67.4 Å²	67.4	70%	0.704	36%	0.355	S	S	*	.			trans	-67.6	100.7	176.3	-73.7	-178.2	-177.9	-176.5	0	107.6	N331	N331-K333 HydrophobicContact CB-CB 4.06Å; N331-K333 HydrophobicContact CB-CD 4.12Å; N331-K333 HydrophobicContact CB-CG 3.96Å; N331-K333 PolarHBondContact O-N 3.11Å
334	K	63.3	Low	74.6	Confident	187 Å²	187	70.9 Å²	70.9	81%	0.813	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-49.4	141.9	165.5	-66.3	-176.3	178.7	-176.7	0	109	D332	D332-K334 PolarHBondContact O-N 3.02Å
335	P	63.4	Low	74.4	Confident	60 Å²	60	63.1 Å²	63.1	39%	0.39	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-48.7	140.3	173.3	-26	32.8	0	0	0	110.4	Q321	Q321-P335 HydrophobicContact CB-CB 4.19Å
336	P	70.8	Confident	74.5	Confident	41 Å²	41	57.5 Å²	57.5	27%	0.266	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-61	144.6	-178.7	28.9	-35.1	0	0	0	109.7	E341	P336-E341 HydrophobicContact CB-CG 3.72Å; P336-E341 HydrophobicContact CG-CG 3.66Å
337	T	83.3	Confident	74.3	Confident	90 Å²	90	57.6 Å²	57.6	55%	0.552	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-75.3	156.1	170.5	63.3	0	0	0	0	109.1	F339 G340 E341	T337-F339 PolarHBondContact O-N 2.94Å; T337-G340 CarbonylContact O-C 3.11Å; T337-G340 WeakPolarHBondContact O-CA 3.41Å; T337-G340 PolarHBondContact O-N 2.83Å; T337-G340 PolarHBondContact OG1-N 3.06Å; T337-G340 VanDerWaalsContact OG1-N 3.09Å; T337-E341 PolarHBondContact O-N 3.23Å
338	C	88.8	Confident	74.3	Confident	13 Å²	13	57.5 Å²	57.5	9%	0.088	31%	0.305	C	S	.	.	H	α-helix	trans	-51.7	-34.3	173.3	-70.7	0	0	0	0	113.2	Y93 C96 T97 T342	Y93-C338 HydrophobicContact CD2-CB 4.24Å; Y93-C338 HydrophobicContact CE2-CB 4.15Å; C96-C338 HydrophobicContact CB-CB 3.67Å; C96-C338 WeakPolarHBondContact CB-SG 3.45Å; C96-C338 PolarHBondContact O-SG 2.83Å; C96-C338 VanDerWaalsContact O-SG 3.35Å; C96-C338 WeakPolarHBondContact SG-CA 3.31Å; C96-C338 WeakPolarHBondContact SG-CB 3.06Å; C96-C338 CovalentContact SG-SG 2.05Å; C96-C338 PolarHBondContact SG-SG 3.09Å; T97-C338 PolarHBondContact N-SG 2.9Å; C338-T342 WeakPolarHBondContact O-CB 3.44Å; C338-T342 PolarHBondContact O-N 3.13Å; C338-T342 PolarHBondContact O-OG1 3.09Å
339	F	86.2	Confident	74.9	Confident	28 Å²	28	55.9 Å²	55.9	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-66	-46.1	173.3	178.5	-105	0	0	0	112.5	D68 I71 M72 L75 Y93 T337 T342 K343	D68-F339 HydrophobicContact CB-CE1 3.56Å; D68-F339 HydrophobicContact CB-CZ 3.5Å; D68-F339 VanDerWaalsContact CB-CZ 3.5Å; D68-F339 WeakPolarHBondContact OD1-CE1 3.24Å; I71-F339 HydrophobicContact CB-CE2 3.95Å; I71-F339 HydrophobicContact CB-CZ 4.03Å; I71-F339 HydrophobicContact CD1-CZ 4.49Å; I71-F339 HydrophobicContact CG2-CE2 3.65Å; I71-F339 HydrophobicContact CG2-CZ 4.05Å; M72-F339 HydrophobicContact CG-CD2 3.87Å; M72-F339 HydrophobicContact CG-CE2 3.58Å; M72-F339 HydrophobicContact CG-CZ 4.22Å; M72-F339 HydrophobicContact SD-CB 4.47Å; M72-F339 HydrophobicContact SD-CD2 3.15Å; M72-F339 WeakPolarHBondContact SD-CD2 3.47Å; M72-F339 HydrophobicContact SD-CE2 3.5Å; M72-F339 WeakPolarHBondContact SD-CE2 3.47Å; M72-F339 HydrophobicContact SD-CG 3.98Å; L75-F339 HydrophobicContact CD1-CD2 4.02Å; L75-F339 HydrophobicContact CD1-CE2 4.18Å; Y93-F339 HydrophobicContact CE2-CB 4.13Å; T337-F339 PolarHBondContact O-N 2.94Å; F339-T342 PolarHBondContact O-N 3.26Å; F339-K343 HydrophobicContact CD1-CD 4.08Å; F339-K343 HydrophobicContact CE1-CD 3.31Å; F339-K343 HydrophobicContact CE1-CG 4.13Å; F339-K343 HydrophobicContact CE2-CD 4.3Å; F339-K343 HydrophobicContact CE2-CG 4.37Å; F339-K343 HydrophobicContact CZ-CD 3.46Å; F339-K343 VanDerWaalsContact CZ-CD 3.46Å; F339-K343 HydrophobicContact CZ-CG 3.99Å; F339-K343 PolarHBondContact O-N 3.48Å
340	G	82.7	Confident	75.8	Confident	27 Å²	27	53.3 Å²	53.3	28%	0.278	28%	0.279	S	S	.	.	H	α-helix	trans	-60.1	-44.8	175.1	0	0	0	0	0	112.7	T337 T342 K343 E344	T337-G340 CarbonylContact O-C 3.11Å; T337-G340 WeakPolarHBondContact O-CA 3.41Å; T337-G340 PolarHBondContact O-N 2.83Å; T337-G340 PolarHBondContact OG1-N 3.06Å; T337-G340 VanDerWaalsContact OG1-N 3.09Å; G340-T342 VanDerWaalsContact C-N 3.35Å; G340-T342 PolarHBondContact O-N 2.97Å; G340-K343 WeakPolarHBondContact O-CB 3.24Å; G340-K343 PolarHBondContact O-N 2.89Å; G340-E344 PolarHBondContact O-N 2.56Å
341	E	84.2	Confident	77.1	Confident	1 Å²	1	48 Å²	48	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-39.6	175.9	-66.3	-178.9	-145.8	0	0	112.2	F92 Y318 P336 T337 K343 E344 N345 Y433	F92-E341 HydrophobicContact CE1-CB 3.97Å; F92-E341 HydrophobicContact CZ-CB 4.24Å; Y318-E341 WeakPolarHBondContact CD1-OE2 2.87Å; Y318-E341 HydrophobicContact CE1-CG 4.23Å; Y318-E341 WeakPolarHBondContact CE1-OE2 3.25Å; P336-E341 HydrophobicContact CB-CG 3.72Å; P336-E341 HydrophobicContact CG-CG 3.66Å; T337-E341 PolarHBondContact O-N 3.23Å; E341-K343 VanDerWaalsContact C-N 3.34Å; E341-E344 PolarHBondContact O-N 2.91Å; E341-N345 WeakPolarHBondContact O-CB 3.4Å; E341-N345 PolarHBondContact O-N 3.28Å; E341-N345 PolarHBondContact O-ND2 3.4Å; E341-Y433 PolarHBondContact OE1-OH 2.91Å; E341-Y433 VanDerWaalsContact OE1-OH 3.06Å; E341-Y433 WeakPolarHBondContact OE2-CE2 3.29Å; E341-Y433 PolarHBondContact OE2-OH 3.16Å
342	T	86.9	Confident	78.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-41.5	177.5	-53.8	0	0	0	0	110.3	L75 A89 F92 C338 F339 G340 E344 F346 I350	L75-T342 HydrophobicContact CD1-CG2 3.97Å; L75-T342 HydrophobicContact CD2-CG2 3.83Å; A89-T342 HydrophobicContact CB-CG2 4.39Å; F92-T342 HydrophobicContact CD1-CG2 4.33Å; F92-T342 WeakPolarHBondContact CD1-OG1 3.34Å; C338-T342 WeakPolarHBondContact O-CB 3.44Å; C338-T342 PolarHBondContact O-N 3.13Å; C338-T342 PolarHBondContact O-OG1 3.09Å; F339-T342 PolarHBondContact O-N 3.26Å; G340-T342 VanDerWaalsContact C-N 3.35Å; G340-T342 PolarHBondContact O-N 2.97Å; T342-E344 VanDerWaalsContact C-N 3.35Å; T342-E344 PolarHBondContact O-N 3.05Å; T342-F346 HydrophobicContact CG2-CD2 4.14Å; T342-F346 WeakPolarHBondContact O-CB 3.14Å; T342-F346 PolarHBondContact O-N 3.2Å; T342-I350 HydrophobicContact CG2-CD1 4.36Å; T342-I350 WeakPolarHBondContact O-CD1 3.43Å
343	K	83.4	Confident	80.2	Confident	29 Å²	29	37.7 Å²	37.7	13%	0.126	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-43.5	173.2	-80.8	-176.8	64.8	177.5	0	112.2	D68 I71 F339 G340 E341 W347 I350	D68-K343 IonicContact OD1-NZ 2.69Å; D68-K343 PolarHBondContact OD1-NZ 3.12Å; I71-K343 HydrophobicContact CD1-CD 3.97Å; I71-K343 HydrophobicContact CD1-CG 4.15Å; I71-K343 HydrophobicContact CG2-CG 4.35Å; F339-K343 HydrophobicContact CD1-CD 4.08Å; F339-K343 HydrophobicContact CE1-CD 3.31Å; F339-K343 HydrophobicContact CE1-CG 4.13Å; F339-K343 HydrophobicContact CE2-CD 4.3Å; F339-K343 HydrophobicContact CE2-CG 4.37Å; F339-K343 HydrophobicContact CZ-CD 3.46Å; F339-K343 VanDerWaalsContact CZ-CD 3.46Å; F339-K343 HydrophobicContact CZ-CG 3.99Å; F339-K343 PolarHBondContact O-N 3.48Å; G340-K343 WeakPolarHBondContact O-CB 3.24Å; G340-K343 PolarHBondContact O-N 2.89Å; E341-K343 VanDerWaalsContact C-N 3.34Å; K343-W347 WeakPolarHBondContact O-CA 3.26Å; K343-W347 WeakPolarHBondContact O-CB 3.39Å; K343-W347 PolarHBondContact O-N 2.95Å; K343-W347 VanDerWaalsContact O-N 3.15Å; K343-I350 HydrophobicContact CG-CD1 4.38Å
344	E	79.7	Confident	81.4	Confident	81 Å²	81	30.3 Å²	30.3	38%	0.379	16%	0.162	S	C	.	.	H	α-helix	trans	-67.8	-50	179	-174.5	176.4	174.1	0	0	111.3	G340 E341 T342 R444 Q460	G340-E344 PolarHBondContact O-N 2.56Å; E341-E344 PolarHBondContact O-N 2.91Å; T342-E344 VanDerWaalsContact C-N 3.35Å; T342-E344 PolarHBondContact O-N 3.05Å; E344-R444 IonicContact OE1-NH1 3.59Å; E344-R444 PolarHBondContact OE1-NH1 2.84Å; E344-Q460 PolarHBondContact O-NE2 3.23Å
345	N	80.6	Confident	82.4	Confident	2 Å²	2	29 Å²	29	1%	0.011	16%	0.156	C	C	.	.	H	α-helix	trans	-73.7	-28.9	-173.5	-76.8	-47.2	0	0	0	114.2	F92 E341 S440	F92-N345 VanDerWaalsContact CZ-ND2 3.3Å; F92-N345 WeakPolarHBondContact CZ-ND2 3.45Å; E341-N345 WeakPolarHBondContact O-CB 3.4Å; E341-N345 PolarHBondContact O-N 3.28Å; E341-N345 PolarHBondContact O-ND2 3.4Å; N345-S440 WeakPolarHBondContact OD1-CB 3.17Å; N345-S440 PolarHBondContact OD1-OG 2.78Å
346	F	83.3	Confident	83.5	Confident	1 Å²	1	29 Å²	29	0%	0.004	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	25.3	-177.2	-63.8	-96.1	0	0	0	111.9	A88 A89 F92 T342 W348 T349 I350 I423 L428	A88-F346 HydrophobicContact CB-CE1 3.88Å; A89-F346 HydrophobicContact CB-CB 3.82Å; A89-F346 HydrophobicContact CB-CD1 3.56Å; A89-F346 HydrophobicContact CB-CD2 4.21Å; A89-F346 HydrophobicContact CB-CE1 4.17Å; A89-F346 HydrophobicContact CB-CG 3.58Å; F92-F346 HydrophobicContact CB-CD2 4.37Å; F92-F346 HydrophobicContact CB-CE2 3.4Å; F92-F346 HydrophobicContact CB-CZ 3.65Å; F92-F346 HydrophobicContact CD1-CD2 4.34Å; F92-F346 AromaticContact CD1-CE2 3.81Å; F92-F346 HydrophobicContact CD1-CE2 3.81Å; F92-F346 AromaticContact CD2-CE2 3.82Å; F92-F346 HydrophobicContact CD2-CE2 3.82Å; F92-F346 HydrophobicContact CD2-CZ 4.32Å; F92-F346 HydrophobicContact CG-CD2 4.32Å; F92-F346 AromaticContact CG-CE2 3.39Å; F92-F346 HydrophobicContact CG-CE2 3.39Å; F92-F346 HydrophobicContact CG-CZ 4.04Å; T342-F346 HydrophobicContact CG2-CD2 4.14Å; T342-F346 WeakPolarHBondContact O-CB 3.14Å; T342-F346 PolarHBondContact O-N 3.2Å; F346-W348 VanDerWaalsContact C-N 3.29Å; F346-W348 PolarHBondContact O-N 3.3Å; F346-T349 PolarHBondContact O-N 3.39Å; F346-T349 VanDerWaalsContact O-N 3.09Å; F346-I350 HydrophobicContact CB-CD1 4.06Å; F346-I350 HydrophobicContact CB-CG1 4.3Å; F346-I350 WeakPolarHBondContact O-CB 2.98Å; F346-I350 WeakPolarHBondContact O-CG1 3.27Å; F346-I350 PolarHBondContact O-N 2.99Å; F346-I423 HydrophobicContact CD1-CD1 4.27Å; F346-I423 HydrophobicContact CD1-CG2 4.4Å; F346-I423 HydrophobicContact CE1-CG2 3.71Å; F346-I423 HydrophobicContact CZ-CG2 4.43Å; F346-L428 HydrophobicContact CE1-CD1 4.36Å; F346-L428 HydrophobicContact CZ-CD1 3.91Å
347	W	80.6	Confident	84.3	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.008	14%	0.139	C	C	.	.	H	α-helix	trans	-52.8	-45.8	-171	77.2	-81.2	0	0	0	112.9	K343 I350 N351 L413 E419 L456 L459 Q460 L463	K343-W347 WeakPolarHBondContact O-CA 3.26Å; K343-W347 WeakPolarHBondContact O-CB 3.39Å; K343-W347 PolarHBondContact O-N 2.95Å; K343-W347 VanDerWaalsContact O-N 3.15Å; W347-I350 PolarHBondContact O-N 3.5Å; W347-N351 WeakPolarHBondContact O-CB 3.45Å; W347-N351 PolarHBondContact O-N 2.92Å; W347-N351 PolarHBondContact O-ND2 3.36Å; W347-L413 HydrophobicContact CH2-CD2 4.12Å; W347-L413 HydrophobicContact CZ3-CD2 4.09Å; W347-E419 PolarHBondContact NE1-OE2 3.39Å; W347-L456 HydrophobicContact CH2-CD1 3.27Å; W347-L456 HydrophobicContact CH2-CG 3.78Å; W347-L456 HydrophobicContact CZ2-CD1 3.32Å; W347-L456 HydrophobicContact CZ2-CD2 3.97Å; W347-L456 HydrophobicContact CZ2-CG 3.36Å; W347-L459 HydrophobicContact CH2-CB 4.5Å; W347-L459 HydrophobicContact CZ3-CB 4.33Å; W347-Q460 HydrophobicContact CB-CG 4.2Å; W347-Q460 HydrophobicContact CD2-CB 3.95Å; W347-Q460 HydrophobicContact CD2-CG 4.11Å; W347-Q460 HydrophobicContact CG-CB 4.05Å; W347-Q460 HydrophobicContact CG-CG 3.65Å; W347-L463 HydrophobicContact CB-CD1 3.3Å; W347-L463 HydrophobicContact CB-CD2 4.24Å; W347-L463 HydrophobicContact CB-CG 4.34Å; W347-L463 HydrophobicContact CD2-CD2 4.47Å; W347-L463 HydrophobicContact CE3-CD2 3.76Å; W347-L463 HydrophobicContact CG-CD1 4.12Å
348	W	82.7	Confident	84.6	Confident	1 Å²	1	26.4 Å²	26.4	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-66.6	-44.1	-177.3	-179.4	93.8	0	0	0	110.6	F346 I350 N351 K352 L413 N417 E419 K420	F346-W348 VanDerWaalsContact C-N 3.29Å; F346-W348 PolarHBondContact O-N 3.3Å; W348-I350 VanDerWaalsContact C-N 3.31Å; W348-I350 PolarHBondContact O-N 2.85Å; W348-N351 PolarHBondContact O-N 2.77Å; W348-K352 HydrophobicContact CD2-CD 4.34Å; W348-K352 HydrophobicContact CE3-CB 4.41Å; W348-K352 HydrophobicContact CE3-CD 4.08Å; W348-K352 HydrophobicContact CH2-CD 3.16Å; W348-K352 HydrophobicContact CZ2-CD 3.41Å; W348-K352 VanDerWaalsContact CZ2-CD 3.41Å; W348-K352 VanDerWaalsContact CZ2-NZ 3.32Å; W348-K352 HydrophobicContact CZ3-CB 4.47Å; W348-K352 HydrophobicContact CZ3-CD 3.44Å; W348-K352 VanDerWaalsContact CZ3-CD 3.44Å; W348-K352 WeakPolarHBondContact O-CB 3.11Å; W348-K352 PolarHBondContact O-N 2.96Å; W348-L413 WeakPolarHBondContact CZ2-O 3.33Å; W348-L413 PolarHBondContact NE1-O 3.22Å; W348-N417 VanDerWaalsContact CZ2-O 3.23Å; W348-N417 WeakPolarHBondContact CZ2-O 3.48Å; W348-E419 WeakPolarHBondContact CB-OE2 3.29Å; W348-E419 HydrophobicContact CD2-CB 4.45Å; W348-E419 HydrophobicContact CG-CB 4.49Å; W348-K420 HydrophobicContact CH2-CB 4.06Å; W348-K420 HydrophobicContact CH2-CD 3.67Å; W348-K420 HydrophobicContact CH2-CG 3.56Å; W348-K420 HydrophobicContact CZ3-CB 4.26Å; W348-K420 HydrophobicContact CZ3-CD 4.04Å; W348-K420 HydrophobicContact CZ3-CG 3.58Å
349	T	84.3	Confident	84.8	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-45.6	178.4	-68	0	0	0	0	110.2	V86 F346 K352 E353	V86-T349 HydrophobicContact CG2-CG2 3.93Å; F346-T349 PolarHBondContact O-N 3.39Å; F346-T349 VanDerWaalsContact O-N 3.09Å; T349-K352 PolarHBondContact O-N 3.18Å; T349-E353 HydrophobicContact CG2-CG 4.38Å; T349-E353 WeakPolarHBondContact O-CB 3.29Å; T349-E353 WeakPolarHBondContact O-CG 3.47Å; T349-E353 PolarHBondContact O-N 3.37Å
350	I	85.4	Confident	85.1	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-61.6	-49.3	179.5	-72.7	166.8	0	0	0	110.8	I71 T342 K343 F346 W347 W348 K352 H354	I71-I350 HydrophobicContact CB-CG2 4.25Å; I71-I350 HydrophobicContact CD1-CG2 3.67Å; I71-I350 HydrophobicContact CG1-CG2 3.5Å; I71-I350 HydrophobicContact CG2-CD1 4.02Å; I71-I350 HydrophobicContact CG2-CG1 4.29Å; I71-I350 HydrophobicContact CG2-CG2 3.77Å; T342-I350 HydrophobicContact CG2-CD1 4.36Å; T342-I350 WeakPolarHBondContact O-CD1 3.43Å; K343-I350 HydrophobicContact CG-CD1 4.38Å; F346-I350 HydrophobicContact CB-CD1 4.06Å; F346-I350 HydrophobicContact CB-CG1 4.3Å; F346-I350 WeakPolarHBondContact O-CB 2.98Å; F346-I350 WeakPolarHBondContact O-CG1 3.27Å; F346-I350 PolarHBondContact O-N 2.99Å; W347-I350 PolarHBondContact O-N 3.5Å; W348-I350 VanDerWaalsContact C-N 3.31Å; W348-I350 PolarHBondContact O-N 2.85Å; I350-K352 VanDerWaalsContact C-N 3.29Å; I350-K352 PolarHBondContact O-N 3.19Å; I350-H354 WeakPolarHBondContact O-CB 3.24Å; I350-H354 PolarHBondContact O-CD2 2.87Å; I350-H354 PolarHBondContact O-N 3.3Å
351	N	82.6	Confident	85.6	Confident	14 Å²	14	34 Å²	34	8%	0.075	17%	0.165	C	C	.	.	H	α-helix	trans	-74.6	-18.3	-177.4	-74.2	-83.8	0	0	0	113.6	W347 W348 H354 S357 L413 L463	W347-N351 WeakPolarHBondContact O-CB 3.45Å; W347-N351 PolarHBondContact O-N 2.92Å; W347-N351 PolarHBondContact O-ND2 3.36Å; W348-N351 PolarHBondContact O-N 2.77Å; N351-H354 VanDerWaalsContact C-CD2 3.48Å; N351-H354 PolarHBondContact O-CD2 3.46Å; N351-H354 PolarHBondContact O-NE2 3.06Å; N351-S357 VanDerWaalsContact O-CB 3.31Å; N351-S357 WeakPolarHBondContact O-CB 3.2Å; N351-L413 HydrophobicContact CB-CD1 3.8Å; N351-L463 VanDerWaalsContact ND2-CD2 3.3Å; N351-L463 WeakPolarHBondContact ND2-CD2 3.42Å
352	K	85.2	Confident	86.1	Confident	9 Å²	9	37.4 Å²	37.4	4%	0.039	19%	0.187	C	C	.	.	H	α-helix	trans	-89.4	-41	176.4	-179	178.3	179.4	167.5	0	113.6	W348 T349 I350 S357 L413 D414	W348-K352 HydrophobicContact CD2-CD 4.34Å; W348-K352 HydrophobicContact CE3-CB 4.41Å; W348-K352 HydrophobicContact CE3-CD 4.08Å; W348-K352 HydrophobicContact CH2-CD 3.16Å; W348-K352 HydrophobicContact CZ2-CD 3.41Å; W348-K352 VanDerWaalsContact CZ2-CD 3.41Å; W348-K352 VanDerWaalsContact CZ2-NZ 3.32Å; W348-K352 HydrophobicContact CZ3-CB 4.47Å; W348-K352 HydrophobicContact CZ3-CD 3.44Å; W348-K352 VanDerWaalsContact CZ3-CD 3.44Å; W348-K352 WeakPolarHBondContact O-CB 3.11Å; W348-K352 PolarHBondContact O-N 2.96Å; T349-K352 PolarHBondContact O-N 3.18Å; I350-K352 VanDerWaalsContact C-N 3.29Å; I350-K352 PolarHBondContact O-N 3.19Å; K352-S357 WeakPolarHBondContact O-CB 3.11Å; K352-S357 PolarHBondContact O-OG 3.38Å; K352-L413 HydrophobicContact CB-CB 4.36Å; K352-L413 HydrophobicContact CB-CD1 3.92Å; K352-D414 VanDerWaalsContact CE-OD1 3.24Å; K352-D414 WeakPolarHBondContact CE-OD1 3.43Å; K352-D414 IonicContact NZ-OD1 2.8Å; K352-D414 PolarHBondContact NZ-OD1 3.45Å; K352-D414 IonicContact NZ-OD2 3.16Å
353	E	87	Confident	86.4	Confident	39 Å²	39	37.8 Å²	37.8	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-101.6	-9.6	-166	-55.7	-67.8	164.8	0	0	112.6	M74 Y80 V83 V86 T349 K420	M74-E353 HydrophobicContact CE-CB 3.78Å; Y80-E353 WeakPolarHBondContact CE1-O 3.34Å; Y80-E353 PolarHBondContact OH-O 2.97Å; V83-E353 HydrophobicContact CG1-CG 4.16Å; V86-E353 HydrophobicContact CG2-CB 3.66Å; V86-E353 HydrophobicContact CG2-CG 3.93Å; T349-E353 HydrophobicContact CG2-CG 4.38Å; T349-E353 WeakPolarHBondContact O-CB 3.29Å; T349-E353 WeakPolarHBondContact O-CG 3.47Å; T349-E353 PolarHBondContact O-N 3.37Å; E353-K420 WeakPolarHBondContact OE1-CE 3.42Å; E353-K420 IonicContact OE1-NZ 2.76Å; E353-K420 PolarHBondContact OE1-NZ 2.88Å
354	H	84.9	Confident	87	Confident	7 Å²	7	38.9 Å²	38.9	3%	0.032	19%	0.194	C	C	.	.	S	Bend	trans	-62.8	152.2	175.1	75.2	98.4	0	0	0	111.9	I70 M74 I350 N351 Y356 S357	I70-H354 HydrophobicContact CG2-CB 4.04Å; M74-H354 HydrophobicContact SD-CB 4.05Å; I350-H354 WeakPolarHBondContact O-CB 3.24Å; I350-H354 PolarHBondContact O-CD2 2.87Å; I350-H354 PolarHBondContact O-N 3.3Å; N351-H354 VanDerWaalsContact C-CD2 3.48Å; N351-H354 PolarHBondContact O-CD2 3.46Å; N351-H354 PolarHBondContact O-NE2 3.06Å; H354-Y356 PolarHBondContact CE1-O 3.45Å; H354-Y356 PolarHBondContact ND1-N 2.86Å; H354-Y356 VanDerWaalsContact ND1-N 3.2Å; H354-Y356 PolarHBondContact O-N 3.47Å; H354-S357 PolarHBondContact CE1-N 2.83Å; H354-S357 PolarHBondContact ND1-N 3.14Å; H354-S357 WeakPolarHBondContact NE2-CA 3.34Å; H354-S357 WeakPolarHBondContact NE2-CB 3.37Å; H354-S357 PolarHBondContact NE2-N 3.45Å; H354-S357 VanDerWaalsContact O-CB 3.26Å; H354-S357 WeakPolarHBondContact O-CB 3.24Å; H354-S357 PolarHBondContact O-N 2.97Å; H354-S357 PolarHBondContact O-OG 3.43Å
355	K	84.1	Confident	87.7	Confident	159 Å²	159	39.1 Å²	39.1	69%	0.691	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-23.5	-175.7	-179.9	173.4	178	175.2	0	116	Y80	Y80-K355 PolarHBondContact OH-N 3.04Å
356	Y	86.1	Confident	88.4	Confident	61 Å²	61	40.8 Å²	40.8	24%	0.239	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	12.7	-176	-57.6	-68.1	0	0	0	112.9	F65 I70 H354 S358 S479 H483	F65-Y356 HydrophobicContact CE2-CD2 4.35Å; F65-Y356 AromaticContact CE2-CE2 3.91Å; F65-Y356 HydrophobicContact CE2-CE2 3.91Å; F65-Y356 AromaticContact CE2-CZ 3.99Å; F65-Y356 AromaticContact CZ-CD2 3.86Å; F65-Y356 HydrophobicContact CZ-CD2 3.86Å; F65-Y356 AromaticContact CZ-CE2 3.89Å; F65-Y356 HydrophobicContact CZ-CE2 3.89Å; F65-Y356 HydrophobicContact CZ-CG 4.27Å; I70-Y356 HydrophobicContact CD1-CD2 3.55Å; I70-Y356 HydrophobicContact CD1-CE2 3.65Å; I70-Y356 HydrophobicContact CG1-CD2 4.02Å; I70-Y356 HydrophobicContact CG1-CE2 3.84Å; I70-Y356 HydrophobicContact CG2-CD2 4.01Å; I70-Y356 HydrophobicContact CG2-CE2 4.39Å; H354-Y356 PolarHBondContact CE1-O 3.45Å; H354-Y356 PolarHBondContact ND1-N 2.86Å; H354-Y356 VanDerWaalsContact ND1-N 3.2Å; H354-Y356 PolarHBondContact O-N 3.47Å; Y356-S358 VanDerWaalsContact C-N 3.33Å; Y356-S479 CarbonylContact O-C 3.52Å; Y356-S479 WeakPolarHBondContact O-CB 3.39Å; Y356-S479 PolarHBondContact O-OG 3.24Å; Y356-H483 HydrophobicContact CD1-CB 3.7Å; Y356-H483 AromaticContact CD1-CD2 3.88Å; Y356-H483 AromaticContact CD1-CG 3.45Å; Y356-H483 VanDerWaalsContact CD1-CG 3.45Å; Y356-H483 AromaticContact CD1-ND1 3.58Å; Y356-H483 HydrophobicContact CE1-CB 4.15Å; Y356-H483 HydrophobicContact CG-CB 4.38Å; Y356-H483 PolarHBondContact O-CD2 3.19Å; Y356-H483 PolarHBondContact O-NE2 3.18Å
357	S	88.2	Confident	89	Confident	9 Å²	9	40.8 Å²	40.8	6%	0.063	21%	0.205	C	C	.	.	S	Bend	trans	-74.1	-27	-175.4	64.5	0	0	0	0	112.7	N351 K352 H354 D409 S410 S479	N351-S357 VanDerWaalsContact O-CB 3.31Å; N351-S357 WeakPolarHBondContact O-CB 3.2Å; K352-S357 WeakPolarHBondContact O-CB 3.11Å; K352-S357 PolarHBondContact O-OG 3.38Å; H354-S357 PolarHBondContact CE1-N 2.83Å; H354-S357 PolarHBondContact ND1-N 3.14Å; H354-S357 WeakPolarHBondContact NE2-CA 3.34Å; H354-S357 WeakPolarHBondContact NE2-CB 3.37Å; H354-S357 PolarHBondContact NE2-N 3.45Å; H354-S357 VanDerWaalsContact O-CB 3.26Å; H354-S357 WeakPolarHBondContact O-CB 3.24Å; H354-S357 PolarHBondContact O-N 2.97Å; H354-S357 PolarHBondContact O-OG 3.43Å; S357-D409 CarbonylContact O-C 3.16Å; S357-D409 VanDerWaalsContact O-CA 3.24Å; S357-D409 WeakPolarHBondContact O-CA 3.39Å; S357-D409 VanDerWaalsContact O-CB 3.25Å; S357-D409 WeakPolarHBondContact O-CB 3.11Å; S357-S410 PolarHBondContact O-N 2.78Å; S357-S479 WeakPolarHBondContact CA-OG 3.35Å; S357-S479 WeakPolarHBondContact O-CB 3.41Å; S357-S479 PolarHBondContact O-OG 3.39Å
358	S	90.6	Very high	89.7	Confident	68 Å²	68	43.5 Å²	43.5	48%	0.476	22%	0.22	S	C	.	.			trans	-92.9	140.8	177	-57.2	0	0	0	0	111.1	Y356 S410 H483	Y356-S358 VanDerWaalsContact C-N 3.33Å; S358-S410 PolarHBondContact OG-OG 2.89Å; S358-H483 PolarHBondContact O-CE1 3.48Å; S358-H483 PolarHBondContact O-NE2 3.13Å
359	I	91.8	Very high	90.3	Very high	21 Å²	21	49.1 Å²	49.1	11%	0.108	25%	0.246	C	C	.	.			trans	-127.4	144.2	176.1	57.6	-179.5	0	0	0	110.1	K364 M407 D409 L482	I359-K364 HydrophobicContact CD1-CD 4.2Å; I359-K364 HydrophobicContact CD1-CG 3.59Å; I359-K364 HydrophobicContact CG1-CD 4.22Å; I359-K364 HydrophobicContact CG1-CG 3.79Å; I359-M407 HydrophobicContact CD1-CB 4.04Å; I359-M407 HydrophobicContact CD1-SD 3.96Å; I359-D409 HydrophobicContact CD1-CB 3.98Å; I359-D409 HydrophobicContact CG1-CB 3.89Å; I359-L482 HydrophobicContact CD1-CD1 3.86Å; I359-L482 HydrophobicContact CG2-CB 4Å; I359-L482 HydrophobicContact CG2-CD1 4.33Å
360	S	92.5	Very high	90.9	Very high	45 Å²	45	49.2 Å²	49.2	32%	0.315	25%	0.247	S	C	.	.			trans	-66.5	150.4	-179.6	72.4	0	0	0	0	110.7	T362 T363 K364 E489	S360-T362 PolarHBondContact O-N 2.8Å; S360-T363 PolarHBondContact O-N 3.45Å; S360-T363 VanDerWaalsContact O-N 3.14Å; S360-T363 WeakPolarHBondContact OG-CB 3.36Å; S360-T363 PolarHBondContact OG-N 3.05Å; S360-T363 PolarHBondContact OG-OG1 3.48Å; S360-K364 PolarHBondContact O-N 2.93Å; S360-E489 PolarHBondContact OG-OE1 2.85Å
361	K	93.6	Very high	91.4	Very high	160 Å²	160	49.1 Å²	49.1	70%	0.696	25%	0.246	S	C	*	.	H	α-helix	trans	-56.5	-41.4	173	-177.1	178.5	175.8	-177.3	0	111	T363 K364 D365	K361-T363 VanDerWaalsContact C-N 3.34Å; K361-T363 PolarHBondContact O-N 3.48Å; K361-K364 WeakPolarHBondContact O-CB 3.38Å; K361-K364 PolarHBondContact O-N 2.84Å; K361-K364 VanDerWaalsContact O-N 3.15Å; K361-D365 VanDerWaalsContact O-CG 3.29Å; K361-D365 PolarHBondContact O-N 3.27Å
362	T	94	Very high	92	Very high	74 Å²	74	52.4 Å²	52.4	45%	0.454	26%	0.264	S	S	.	.	H	α-helix	trans	-54.9	-48.4	174.7	-47.9	0	0	0	0	111.8	S360 K364 D365 E366	S360-T362 PolarHBondContact O-N 2.8Å; T362-K364 PolarHBondContact O-N 3.23Å; T362-D365 PolarHBondContact O-N 2.81Å; T362-E366 WeakPolarHBondContact O-CG 3.36Å; T362-E366 PolarHBondContact O-N 3.15Å
363	T	94.4	Very high	92.5	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.043	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-43	176.9	-67.3	0	0	0	0	111.6	S360 K361 D365 E366 V367 L482 W487	S360-T363 PolarHBondContact O-N 3.45Å; S360-T363 VanDerWaalsContact O-N 3.14Å; S360-T363 WeakPolarHBondContact OG-CB 3.36Å; S360-T363 PolarHBondContact OG-N 3.05Å; S360-T363 PolarHBondContact OG-OG1 3.48Å; K361-T363 VanDerWaalsContact C-N 3.34Å; K361-T363 PolarHBondContact O-N 3.48Å; T363-D365 PolarHBondContact O-N 3.38Å; T363-E366 PolarHBondContact O-N 3.11Å; T363-V367 HydrophobicContact CG2-CG2 4.41Å; T363-V367 VanDerWaalsContact O-CG2 3.28Å; T363-V367 WeakPolarHBondContact O-CG2 3.5Å; T363-V367 PolarHBondContact O-N 3.23Å; T363-L482 HydrophobicContact CG2-CB 4.2Å; T363-W487 HydrophobicContact CG2-CD2 4.44Å; T363-W487 HydrophobicContact CG2-CZ2 4.11Å; T363-W487 VanDerWaalsContact CG2-NE1 3.34Å; T363-W487 PolarHBondContact OG1-NE1 3.36Å
364	K	94.9	Very high	93	Very high	53 Å²	53	53.8 Å²	53.8	23%	0.23	27%	0.27	C	S	.	.	H	α-helix	trans	-60	-45.9	175.6	-65.4	-171.4	-177.8	-166.5	0	111.8	I359 S360 K361 T362 N368 M407 D409	I359-K364 HydrophobicContact CD1-CD 4.2Å; I359-K364 HydrophobicContact CD1-CG 3.59Å; I359-K364 HydrophobicContact CG1-CD 4.22Å; I359-K364 HydrophobicContact CG1-CG 3.79Å; S360-K364 PolarHBondContact O-N 2.93Å; K361-K364 WeakPolarHBondContact O-CB 3.38Å; K361-K364 PolarHBondContact O-N 2.84Å; K361-K364 VanDerWaalsContact O-N 3.15Å; T362-K364 PolarHBondContact O-N 3.23Å; K364-N368 WeakPolarHBondContact O-CB 3.45Å; K364-N368 PolarHBondContact O-N 3.46Å; K364-N368 PolarHBondContact O-ND2 3.44Å; K364-M407 HydrophobicContact CB-SD 4.05Å; K364-M407 HydrophobicContact CG-SD 3.88Å; K364-D409 WeakPolarHBondContact CE-OD2 3.31Å; K364-D409 IonicContact NZ-OD1 3.65Å; K364-D409 IonicContact NZ-OD2 3.44Å; K364-D409 PolarHBondContact NZ-OD2 2.88Å
365	D	95.6	Very high	93.5	Very high	85 Å²	85	54.9 Å²	54.9	46%	0.455	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-43.6	-177.7	-67.4	-18.2	0	0	0	110.7	K361 T362 T363 N368 Q369	K361-D365 VanDerWaalsContact O-CG 3.29Å; K361-D365 PolarHBondContact O-N 3.27Å; T362-D365 PolarHBondContact O-N 2.81Å; T363-D365 PolarHBondContact O-N 3.38Å; D365-N368 PolarHBondContact O-N 3.03Å; D365-Q369 WeakPolarHBondContact O-CB 3.36Å; D365-Q369 PolarHBondContact O-N 3.47Å
366	E	94.7	Very high	94	Very high	38 Å²	38	53.3 Å²	53.3	18%	0.178	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-45.2	176.7	-74.6	-172.2	154.3	0	0	112.8	T362 T363 N368 Q369 M370 W487 K496	T362-E366 WeakPolarHBondContact O-CG 3.36Å; T362-E366 PolarHBondContact O-N 3.15Å; T363-E366 PolarHBondContact O-N 3.11Å; E366-N368 PolarHBondContact O-N 3.36Å; E366-Q369 PolarHBondContact O-N 3.42Å; E366-M370 WeakPolarHBondContact O-CG 3.4Å; E366-M370 PolarHBondContact O-N 2.94Å; E366-W487 HydrophobicContact CB-CH2 3.96Å; E366-W487 HydrophobicContact CB-CZ2 3.82Å; E366-W487 WeakPolarHBondContact OE2-CZ2 3.37Å; E366-K496 IonicContact OE1-NZ 3.12Å; E366-K496 PolarHBondContact OE1-NZ 3.12Å; E366-K496 VanDerWaalsContact OE1-NZ 3.12Å; E366-K496 IonicContact OE2-NZ 2.68Å; E366-K496 PolarHBondContact OE2-NZ 2.96Å
367	V	95.5	Very high	94.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-44.9	177.7	172.8	0	0	0	0	110.7	T363 Q369 M370 F371 V405 M407 L482 W487 F504	T363-V367 HydrophobicContact CG2-CG2 4.41Å; T363-V367 VanDerWaalsContact O-CG2 3.28Å; T363-V367 WeakPolarHBondContact O-CG2 3.5Å; T363-V367 PolarHBondContact O-N 3.23Å; V367-Q369 VanDerWaalsContact C-N 3.34Å; V367-Q369 PolarHBondContact O-N 2.78Å; V367-M370 PolarHBondContact O-N 3.12Å; V367-F371 WeakPolarHBondContact O-CB 3.44Å; V367-F371 PolarHBondContact O-N 3.19Å; V367-V405 HydrophobicContact CG1-CG2 4.41Å; V367-M407 HydrophobicContact CB-CE 3.61Å; V367-M407 HydrophobicContact CB-SD 4.46Å; V367-M407 HydrophobicContact CG1-CE 3.46Å; V367-M407 VanDerWaalsContact CG1-CE 3.46Å; V367-M407 HydrophobicContact CG1-SD 4.46Å; V367-L482 HydrophobicContact CG2-CD2 3.78Å; V367-W487 HydrophobicContact CG2-CE3 4.35Å; V367-W487 HydrophobicContact CG2-CH2 3.55Å; V367-W487 HydrophobicContact CG2-CZ2 3.96Å; V367-W487 HydrophobicContact CG2-CZ3 3.77Å; V367-F504 HydrophobicContact CG1-CE2 3.88Å; V367-F504 HydrophobicContact CG1-CZ 3.6Å
368	N	96.1	Very high	94.8	Very high	59 Å²	59	52.1 Å²	52.1	32%	0.316	27%	0.265	S	S	.	.	H	α-helix	trans	-61.2	-43.1	176.5	-80.9	-50.6	0	0	0	111.8	K364 D365 E366 F371 N372 V405	K364-N368 WeakPolarHBondContact O-CB 3.45Å; K364-N368 PolarHBondContact O-N 3.46Å; K364-N368 PolarHBondContact O-ND2 3.44Å; D365-N368 PolarHBondContact O-N 3.03Å; E366-N368 PolarHBondContact O-N 3.36Å; N368-F371 PolarHBondContact O-N 2.9Å; N368-N372 WeakPolarHBondContact O-CB 3.35Å; N368-N372 VanDerWaalsContact O-CG 3.26Å; N368-N372 PolarHBondContact O-N 3.23Å; N368-N372 PolarHBondContact O-ND2 2.04Å; N368-N372 VanDerWaalsContact O-ND2 3.09Å; N368-V405 WeakPolarHBondContact OD1-CG1 3.42Å
369	Q	95.4	Very high	95	Very high	119 Å²	119	50.8 Å²	50.8	56%	0.556	25%	0.254	S	S	*	.	H	α-helix	trans	-60.8	-52.7	176.7	-176.7	-179.1	-6.1	0	0	110.8	D365 E366 V367 F371 N372 E373	D365-Q369 WeakPolarHBondContact O-CB 3.36Å; D365-Q369 PolarHBondContact O-N 3.47Å; E366-Q369 PolarHBondContact O-N 3.42Å; V367-Q369 VanDerWaalsContact C-N 3.34Å; V367-Q369 PolarHBondContact O-N 2.78Å; Q369-F371 VanDerWaalsContact C-N 3.31Å; Q369-F371 PolarHBondContact O-N 3.17Å; Q369-N372 PolarHBondContact O-N 3.3Å; Q369-N372 VanDerWaalsContact O-N 3.16Å; Q369-E373 HydrophobicContact CG-CG 4.49Å; Q369-E373 WeakPolarHBondContact O-CG 3.39Å; Q369-E373 PolarHBondContact O-N 3.33Å
370	M	95.7	Very high	95.1	Very high	4 Å²	4	53 Å²	53	2%	0.02	26%	0.264	C	S	.	.	H	α-helix	trans	-55.5	-46.2	178.2	-72.9	177.1	60.2	0	0	111.9	E366 V367 N372 E373 M374 W487 K496 Y497 F500	E366-M370 WeakPolarHBondContact O-CG 3.4Å; E366-M370 PolarHBondContact O-N 2.94Å; V367-M370 PolarHBondContact O-N 3.12Å; M370-N372 PolarHBondContact O-N 3.08Å; M370-E373 PolarHBondContact O-N 3.15Å; M370-M374 WeakPolarHBondContact O-CG 3.42Å; M370-M374 PolarHBondContact O-N 3.45Å; M370-M374 VanDerWaalsContact O-N 3.08Å; M370-W487 HydrophobicContact SD-CH2 3.88Å; M370-W487 HydrophobicContact SD-CZ3 3.93Å; M370-K496 HydrophobicContact CE-CB 3.9Å; M370-K496 WeakPolarHBondContact CE-O 3.47Å; M370-K496 HydrophobicContact SD-CB 3.9Å; M370-Y497 HydrophobicContact CE-CD1 4.41Å; M370-Y497 HydrophobicContact CE-CD2 3.86Å; M370-Y497 HydrophobicContact CE-CE2 4.13Å; M370-Y497 HydrophobicContact CE-CG 4.01Å; M370-Y497 HydrophobicContact CG-CD2 4.47Å; M370-Y497 HydrophobicContact CG-CE2 3.82Å; M370-Y497 HydrophobicContact SD-CE2 4.43Å; M370-F500 HydrophobicContact CE-CB 4.28Å
371	F	96	Very high	95	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-43.1	179.2	-165.7	-97.1	0	0	0	111.7	V367 N368 Q369 M374 K375 I403 V405 V475 F504 I508	V367-F371 WeakPolarHBondContact O-CB 3.44Å; V367-F371 PolarHBondContact O-N 3.19Å; N368-F371 PolarHBondContact O-N 2.9Å; Q369-F371 VanDerWaalsContact C-N 3.31Å; Q369-F371 PolarHBondContact O-N 3.17Å; F371-M374 PolarHBondContact O-N 2.98Å; F371-K375 HydrophobicContact CD1-CD 3.7Å; F371-K375 HydrophobicContact CD1-CG 4.25Å; F371-K375 HydrophobicContact CE1-CD 3.7Å; F371-K375 HydrophobicContact CE1-CG 4.19Å; F371-K375 WeakPolarHBondContact O-CG 3.36Å; F371-K375 PolarHBondContact O-N 3.48Å; F371-I403 HydrophobicContact CE1-CG2 4.19Å; F371-I403 HydrophobicContact CZ-CG1 4.47Å; F371-I403 HydrophobicContact CZ-CG2 4.25Å; F371-V405 HydrophobicContact CB-CG1 4.16Å; F371-V405 HydrophobicContact CD1-CB 4.05Å; F371-V405 HydrophobicContact CD1-CG1 4.14Å; F371-V405 HydrophobicContact CD2-CB 4.06Å; F371-V405 HydrophobicContact CE1-CB 4.23Å; F371-V405 HydrophobicContact CE2-CB 4.26Å; F371-V405 HydrophobicContact CG-CB 3.96Å; F371-V405 HydrophobicContact CG-CG1 4.06Å; F371-V405 HydrophobicContact CZ-CB 4.34Å; F371-V475 HydrophobicContact CE2-CB 4.05Å; F371-V475 HydrophobicContact CE2-CG1 4.5Å; F371-V475 HydrophobicContact CE2-CG2 3.92Å; F371-V475 HydrophobicContact CZ-CB 4.09Å; F371-V475 HydrophobicContact CZ-CG2 3.76Å; F371-F504 HydrophobicContact CD2-CB 3.85Å; F371-F504 AromaticContact CD2-CD1 3.91Å; F371-F504 HydrophobicContact CD2-CD1 3.91Å; F371-F504 HydrophobicContact CD2-CD2 4.11Å; F371-F504 AromaticContact CD2-CG 3.7Å; F371-F504 HydrophobicContact CD2-CG 3.7Å; F371-F504 HydrophobicContact CE2-CB 4.06Å; F371-F504 HydrophobicContact CE2-CD1 4.09Å; F371-F504 HydrophobicContact CE2-CG 4.16Å; F371-I508 HydrophobicContact CD2-CD1 4.2Å; F371-I508 HydrophobicContact CE2-CD1 3.73Å; F371-I508 HydrophobicContact CE2-CG1 3.91Å; F371-I508 HydrophobicContact CZ-CD1 3.93Å; F371-I508 HydrophobicContact CZ-CG1 3.87Å
372	N	95.8	Very high	94.8	Very high	83 Å²	83	46.9 Å²	46.9	44%	0.444	24%	0.235	S	C	.	.	H	α-helix	trans	-68	-39.5	178.3	-73.9	-33.9	0	0	0	113.1	N368 Q369 M370 M374 K375 H376	N368-N372 WeakPolarHBondContact O-CB 3.35Å; N368-N372 VanDerWaalsContact O-CG 3.26Å; N368-N372 PolarHBondContact O-N 3.23Å; N368-N372 PolarHBondContact O-ND2 2.04Å; N368-N372 VanDerWaalsContact O-ND2 3.09Å; Q369-N372 PolarHBondContact O-N 3.3Å; Q369-N372 VanDerWaalsContact O-N 3.16Å; M370-N372 PolarHBondContact O-N 3.08Å; N372-M374 VanDerWaalsContact C-N 3.29Å; N372-M374 PolarHBondContact O-N 2.79Å; N372-K375 WeakPolarHBondContact O-CB 3.46Å; N372-K375 PolarHBondContact O-N 2.78Å; N372-H376 PolarHBondContact O-N 2.94Å
373	E	95.9	Very high	94.6	Very high	76 Å²	76	45.9 Å²	45.9	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-40.7	174	-70.1	-56.7	151.2	0	0	111.4	Q369 M370 H376 K377 T577	Q369-E373 HydrophobicContact CG-CG 4.49Å; Q369-E373 WeakPolarHBondContact O-CG 3.39Å; Q369-E373 PolarHBondContact O-N 3.33Å; M370-E373 PolarHBondContact O-N 3.15Å; E373-H376 PolarHBondContact O-N 3.29Å; E373-K377 WeakPolarHBondContact O-CB 3.24Å; E373-K377 PolarHBondContact O-N 3.33Å; E373-T577 HydrophobicContact CG-CG2 4.4Å
374	M	96.4	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-42.1	175	-69.9	-174.1	64.8	0	0	112.6	M370 F371 N372 H376 K377 L378 Y497 G501 F504 I508 L569 A573	M370-M374 WeakPolarHBondContact O-CG 3.42Å; M370-M374 PolarHBondContact O-N 3.45Å; M370-M374 VanDerWaalsContact O-N 3.08Å; F371-M374 PolarHBondContact O-N 2.98Å; N372-M374 VanDerWaalsContact C-N 3.29Å; N372-M374 PolarHBondContact O-N 2.79Å; M374-H376 VanDerWaalsContact C-N 3.34Å; M374-H376 PolarHBondContact O-N 3.26Å; M374-K377 PolarHBondContact O-N 2.62Å; M374-L378 WeakPolarHBondContact O-CB 3.3Å; M374-L378 PolarHBondContact O-N 3.38Å; M374-Y497 HydrophobicContact CG-CE1 4.27Å; M374-G501 WeakPolarHBondContact CE-O 3.37Å; M374-F504 HydrophobicContact CE-CB 4.47Å; M374-F504 HydrophobicContact SD-CB 4.1Å; M374-I508 HydrophobicContact CB-CD1 4.36Å; M374-L569 HydrophobicContact CE-CB 4.47Å; M374-L569 HydrophobicContact CE-CD2 3.93Å; M374-L569 HydrophobicContact CE-CG 3.87Å; M374-A573 HydrophobicContact CB-CB 4.47Å; M374-A573 HydrophobicContact CG-CB 3.78Å
375	K	95.8	Very high	93.6	Very high	31 Å²	31	53.2 Å²	53.2	14%	0.135	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-45.2	174	-70.4	169.1	63.9	179	0	111.5	F371 N372 L378 T379 V400 S401 I403 I508	F371-K375 HydrophobicContact CD1-CD 3.7Å; F371-K375 HydrophobicContact CD1-CG 4.25Å; F371-K375 HydrophobicContact CE1-CD 3.7Å; F371-K375 HydrophobicContact CE1-CG 4.19Å; F371-K375 WeakPolarHBondContact O-CG 3.36Å; F371-K375 PolarHBondContact O-N 3.48Å; N372-K375 WeakPolarHBondContact O-CB 3.46Å; N372-K375 PolarHBondContact O-N 2.78Å; K375-L378 PolarHBondContact O-N 2.96Å; K375-T379 WeakPolarHBondContact O-CB 3.38Å; K375-T379 PolarHBondContact O-N 2.85Å; K375-T379 PolarHBondContact O-OG1 3.12Å; K375-V400 HydrophobicContact CB-CG1 4.05Å; K375-V400 WeakPolarHBondContact CE-O 3.42Å; K375-V400 HydrophobicContact CG-CG1 4.37Å; K375-V400 WeakPolarHBondContact O-CG1 3.41Å; K375-S401 PolarHBondContact NZ-O 2.76Å; K375-I403 HydrophobicContact CD-CG2 4.23Å; K375-I403 WeakPolarHBondContact CD-O 3.21Å; K375-I403 WeakPolarHBondContact CE-O 3.46Å; K375-I403 HydrophobicContact CG-CG2 4.24Å; K375-I403 PolarHBondContact NZ-O 3.03Å; K375-I508 HydrophobicContact CG-CD1 4.45Å
376	H	95.2	Very high	92.9	Very high	126 Å²	126	54.3 Å²	54.3	58%	0.583	28%	0.276	S	S	*	.	H	α-helix	trans	-60.4	-48.7	177.7	-179	-79.5	0	0	0	110.5	N372 E373 M374 L378 T379 E380	N372-H376 PolarHBondContact O-N 2.94Å; E373-H376 PolarHBondContact O-N 3.29Å; M374-H376 VanDerWaalsContact C-N 3.34Å; M374-H376 PolarHBondContact O-N 3.26Å; H376-L378 VanDerWaalsContact C-N 3.34Å; H376-L378 PolarHBondContact O-N 3.27Å; H376-T379 WeakPolarHBondContact O-CB 3.31Å; H376-T379 PolarHBondContact O-N 2.97Å; H376-E380 PolarHBondContact O-N 2.91Å
377	K	95.7	Very high	92	Very high	35 Å²	35	56.2 Å²	56.2	15%	0.152	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-41.6	179.3	-172.2	61.5	-174.1	170.9	0	112.3	E373 M374 T379 E380 L381 L569 E572 A573	E373-K377 WeakPolarHBondContact O-CB 3.24Å; E373-K377 PolarHBondContact O-N 3.33Å; M374-K377 PolarHBondContact O-N 2.62Å; K377-T379 VanDerWaalsContact C-N 3.34Å; K377-T379 PolarHBondContact O-N 3.12Å; K377-E380 WeakPolarHBondContact CD-OE2 2.97Å; K377-E380 VanDerWaalsContact NZ-CD 3.29Å; K377-E380 IonicContact NZ-OE1 3.48Å; K377-E380 PolarHBondContact NZ-OE1 2.93Å; K377-E380 VanDerWaalsContact NZ-OE1 3.16Å; K377-E380 IonicContact NZ-OE2 3.93Å; K377-E380 PolarHBondContact NZ-OE2 3.25Å; K377-E380 WeakPolarHBondContact O-CB 3.41Å; K377-E380 PolarHBondContact O-N 3.25Å; K377-L381 HydrophobicContact CG-CD1 4.31Å; K377-L381 VanDerWaalsContact O-CG 3.32Å; K377-L381 WeakPolarHBondContact O-CG 3.33Å; K377-L381 PolarHBondContact O-N 3.48Å; K377-L569 HydrophobicContact CB-CD1 4.16Å; K377-L569 HydrophobicContact CG-CD1 4.2Å; K377-E572 HydrophobicContact CG-CB 4.07Å; K377-A573 HydrophobicContact CB-CB 4.1Å; K377-A573 HydrophobicContact CG-CB 4.41Å
378	L	94.5	Very high	91	Very high	10 Å²	10	61.3 Å²	61.3	5%	0.052	32%	0.317	C	S	.	.	H	α-helix	trans	-63.7	-42	176.2	-176.8	57.6	0	0	0	111.4	M374 K375 H376 E380 L381 L382 V400 I508 I509 V512 L569	M374-L378 WeakPolarHBondContact O-CB 3.3Å; M374-L378 PolarHBondContact O-N 3.38Å; K375-L378 PolarHBondContact O-N 2.96Å; H376-L378 VanDerWaalsContact C-N 3.34Å; H376-L378 PolarHBondContact O-N 3.27Å; L378-E380 VanDerWaalsContact C-N 3.29Å; L378-E380 PolarHBondContact O-N 3.19Å; L378-L381 PolarHBondContact O-N 3.28Å; L378-L382 HydrophobicContact CD1-CD1 4.24Å; L378-L382 HydrophobicContact CD1-CD2 4.23Å; L378-L382 HydrophobicContact CD1-CG 3.98Å; L378-L382 HydrophobicContact CG-CD1 3.89Å; L378-L382 HydrophobicContact CG-CG 4.12Å; L378-L382 WeakPolarHBondContact O-CB 3.49Å; L378-L382 VanDerWaalsContact O-CG 3.24Å; L378-L382 WeakPolarHBondContact O-CG 3.26Å; L378-L382 PolarHBondContact O-N 3.24Å; L378-V400 HydrophobicContact CB-CG1 4.29Å; L378-V400 HydrophobicContact CD2-CG1 4.19Å; L378-V400 HydrophobicContact CD2-CG2 3.52Å; L378-V400 HydrophobicContact CG-CG1 4.41Å; L378-V400 HydrophobicContact CG-CG2 4.03Å; L378-I508 HydrophobicContact CD2-CG2 3.38Å; L378-I509 HydrophobicContact CD1-CD1 3.94Å; L378-I509 HydrophobicContact CD2-CD1 4.16Å; L378-V512 HydrophobicContact CD2-CG2 4.4Å; L378-L569 HydrophobicContact CB-CD1 3.72Å; L378-L569 HydrophobicContact CB-CD2 3.96Å; L378-L569 HydrophobicContact CD1-CD1 4.39Å; L378-L569 HydrophobicContact CD1-CD2 4.4Å; L378-L569 HydrophobicContact CD2-CD2 4.08Å; L378-L569 HydrophobicContact CG-CD2 4.38Å
379	T	94.4	Very high	90.2	Very high	39 Å²	39	60.3 Å²	60.3	24%	0.239	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-41.9	177.1	-57.5	0	0	0	0	111.6	K375 H376 K377 S383 I397	K375-T379 WeakPolarHBondContact O-CB 3.38Å; K375-T379 PolarHBondContact O-N 2.85Å; K375-T379 PolarHBondContact O-OG1 3.12Å; H376-T379 WeakPolarHBondContact O-CB 3.31Å; H376-T379 PolarHBondContact O-N 2.97Å; K377-T379 VanDerWaalsContact C-N 3.34Å; K377-T379 PolarHBondContact O-N 3.12Å; T379-S383 VanDerWaalsContact O-CB 3.31Å; T379-S383 WeakPolarHBondContact O-CB 3.43Å; T379-S383 PolarHBondContact O-N 3.39Å; T379-S383 PolarHBondContact O-OG 2.98Å; T379-I397 HydrophobicContact CG2-CG2 4.07Å
380	E	94	Very high	89.8	Confident	68 Å²	68	59.7 Å²	59.7	32%	0.318	31%	0.312	S	S	.	.	H	α-helix	trans	-59.7	-49.7	174.2	-171.3	-156.6	145.7	0	0	111.4	H376 K377 L378 S383 Q384	H376-E380 PolarHBondContact O-N 2.91Å; K377-E380 WeakPolarHBondContact CD-OE2 2.97Å; K377-E380 VanDerWaalsContact NZ-CD 3.29Å; K377-E380 IonicContact NZ-OE1 3.48Å; K377-E380 PolarHBondContact NZ-OE1 2.93Å; K377-E380 VanDerWaalsContact NZ-OE1 3.16Å; K377-E380 IonicContact NZ-OE2 3.93Å; K377-E380 PolarHBondContact NZ-OE2 3.25Å; K377-E380 WeakPolarHBondContact O-CB 3.41Å; K377-E380 PolarHBondContact O-N 3.25Å; L378-E380 VanDerWaalsContact C-N 3.29Å; L378-E380 PolarHBondContact O-N 3.19Å; E380-S383 WeakPolarHBondContact O-CB 3.49Å; E380-S383 PolarHBondContact O-N 3.26Å; E380-S383 VanDerWaalsContact O-N 3.16Å; E380-Q384 WeakPolarHBondContact O-CG 3.33Å; E380-Q384 PolarHBondContact O-N 2.91Å; E380-Q384 VanDerWaalsContact O-N 3.11Å; E380-Q384 PolarHBondContact OE1-NE2 3.41Å
381	L	91.7	Very high	89.2	Confident	60 Å²	60	65.8 Å²	65.8	31%	0.314	35%	0.345	S	S	.	.	H	α-helix	trans	-63.3	-44.2	-179.7	-68	172.3	0	0	0	112.1	K377 L378 S383 Q384 R385 L569	K377-L381 HydrophobicContact CG-CD1 4.31Å; K377-L381 VanDerWaalsContact O-CG 3.32Å; K377-L381 WeakPolarHBondContact O-CG 3.33Å; K377-L381 PolarHBondContact O-N 3.48Å; L378-L381 PolarHBondContact O-N 3.28Å; L381-S383 PolarHBondContact O-N 2.81Å; L381-Q384 PolarHBondContact O-N 3.09Å; L381-R385 PolarHBondContact O-N 3.1Å; L381-L569 HydrophobicContact CD1-CD1 4.25Å
382	L	89.4	Confident	88.6	Confident	17 Å²	17	69.4 Å²	69.4	9%	0.089	36%	0.364	C	S	.	.	H	α-helix	trans	-63.6	-32.3	175.9	-64.9	173.3	0	0	0	111.5	L378 W387 A396 I397 V400	L378-L382 HydrophobicContact CD1-CD1 4.24Å; L378-L382 HydrophobicContact CD1-CD2 4.23Å; L378-L382 HydrophobicContact CD1-CG 3.98Å; L378-L382 HydrophobicContact CG-CD1 3.89Å; L378-L382 HydrophobicContact CG-CG 4.12Å; L378-L382 WeakPolarHBondContact O-CB 3.49Å; L378-L382 VanDerWaalsContact O-CG 3.24Å; L378-L382 WeakPolarHBondContact O-CG 3.26Å; L378-L382 PolarHBondContact O-N 3.24Å; L382-W387 HydrophobicContact CB-CZ2 4.16Å; L382-W387 HydrophobicContact CD2-CH2 4.15Å; L382-W387 HydrophobicContact CD2-CZ2 3.61Å; L382-W387 HydrophobicContact CG-CZ2 4.36Å; L382-W387 PolarHBondContact O-NE1 3.46Å; L382-A396 HydrophobicContact CD1-CB 4.27Å; L382-I397 HydrophobicContact CB-CG1 4.24Å; L382-V400 HydrophobicContact CD1-CG2 3.81Å
383	S	89.3	Confident	88.1	Confident	53 Å²	53	67 Å²	67	37%	0.371	35%	0.35	S	S	.	.	H	α-helix	trans	-71.6	-35.7	179.3	-63.2	0	0	0	0	113.2	T379 E380 L381 K393	T379-S383 VanDerWaalsContact O-CB 3.31Å; T379-S383 WeakPolarHBondContact O-CB 3.43Å; T379-S383 PolarHBondContact O-N 3.39Å; T379-S383 PolarHBondContact O-OG 2.98Å; E380-S383 WeakPolarHBondContact O-CB 3.49Å; E380-S383 PolarHBondContact O-N 3.26Å; E380-S383 VanDerWaalsContact O-N 3.16Å; L381-S383 PolarHBondContact O-N 2.81Å; S383-K393 PolarHBondContact O-NZ 2.84Å
384	Q	87.7	Confident	87.8	Confident	136 Å²	136	67.5 Å²	67.5	64%	0.636	35%	0.352	S	S	*	.	H	α-helix	trans	-78.8	-21.6	179.8	-69.2	170.2	3.2	0	0	113.2	E380 L381	E380-Q384 WeakPolarHBondContact O-CG 3.33Å; E380-Q384 PolarHBondContact O-N 2.91Å; E380-Q384 VanDerWaalsContact O-N 3.11Å; E380-Q384 PolarHBondContact OE1-NE2 3.41Å; L381-Q384 PolarHBondContact O-N 3.09Å
385	R	81.5	Confident	87.4	Confident	78 Å²	78	72.2 Å²	72.2	29%	0.294	37%	0.373	S	S	.	.	S	Bend	trans	-72.7	149.8	-179.1	168.4	174.6	-79.8	-145.3	-10.6	112.8	L381 W387 L652	L381-R385 PolarHBondContact O-N 3.1Å; R385-W387 VanDerWaalsContact O-CD1 3.25Å; R385-L652 PolarHBondContact NH2-O 2.62Å; R385-L652 PolarHBondContact NH2-OXT 3.41Å
386	S	79.4	Confident	86.9	Confident	107 Å²	107	71.1 Å²	71.1	75%	0.748	37%	0.369	S	S	*	.			trans	-78.9	129.9	165.9	48.1	0	0	0	0	111.5
387	W	77.4	Confident	86.7	Confident	79 Å²	79	66.4 Å²	66.4	30%	0.299	35%	0.348	S	S	.	.			trans	-116.2	151.5	-180	-70.5	77.3	0	0	0	111.1	L382 R385 S389 D392 K393 A396	L382-W387 HydrophobicContact CB-CZ2 4.16Å; L382-W387 HydrophobicContact CD2-CH2 4.15Å; L382-W387 HydrophobicContact CD2-CZ2 3.61Å; L382-W387 HydrophobicContact CG-CZ2 4.36Å; L382-W387 PolarHBondContact O-NE1 3.46Å; R385-W387 VanDerWaalsContact O-CD1 3.25Å; W387-S389 VanDerWaalsContact C-N 3.32Å; W387-S389 WeakPolarHBondContact CB-O 2.97Å; W387-D392 HydrophobicContact CE3-CB 3.88Å; W387-D392 HydrophobicContact CZ3-CB 4.11Å; W387-K393 HydrophobicContact CB-CB 4.13Å; W387-K393 HydrophobicContact CD2-CB 3.64Å; W387-K393 HydrophobicContact CD2-CG 4.12Å; W387-K393 HydrophobicContact CE3-CB 4.16Å; W387-K393 HydrophobicContact CG-CB 3.61Å; W387-K393 HydrophobicContact CG-CD 4.18Å; W387-K393 HydrophobicContact CG-CG 4Å; W387-A396 HydrophobicContact CH2-CB 3.38Å; W387-A396 HydrophobicContact CZ2-CB 4.04Å; W387-A396 HydrophobicContact CZ3-CB 4.08Å
388	S	73.1	Confident	86.5	Confident	106 Å²	106	69.2 Å²	69.2	74%	0.741	36%	0.364	S	S	*	.	S	Bend	trans	-65.7	-35.6	172.8	43.1	0	0	0	0	112.4
389	S	80.5	Confident	86.3	Confident	38 Å²	38	69.9 Å²	69.9	27%	0.266	37%	0.369	S	S	.	.			trans	-140	148.5	174.9	82.7	0	0	0	0	110.8	W387 D391 D392 K393	W387-S389 VanDerWaalsContact C-N 3.32Å; W387-S389 WeakPolarHBondContact CB-O 2.97Å; S389-D391 VanDerWaalsContact C-N 3.28Å; S389-D392 WeakPolarHBondContact OG-CB 3.32Å; S389-D392 PolarHBondContact OG-N 3.24Å; S389-D392 PolarHBondContact OG-OD2 2.94Å; S389-K393 PolarHBondContact O-N 3.02Å
390	E	85.7	Confident	86.2	Confident	106 Å²	106	68.1 Å²	68.1	50%	0.495	36%	0.358	S	S	.	.	H	α-helix	trans	-69.5	-30.2	174.2	-171.6	59	-149	0	0	111.2	K393 Q394	E390-K393 WeakPolarHBondContact O-CB 3.49Å; E390-K393 PolarHBondContact O-N 2.93Å; E390-Q394 HydrophobicContact CG-CG 4.42Å; E390-Q394 WeakPolarHBondContact O-CG 2.98Å; E390-Q394 PolarHBondContact O-N 2.84Å; E390-Q394 PolarHBondContact OE1-NE2 3.28Å
391	D	85	Confident	86	Confident	133 Å²	133	67.5 Å²	67.5	71%	0.711	36%	0.361	S	S	*	.	H	α-helix	trans	-64.3	-42.6	177.5	-68.5	-24.9	0	0	0	111.8	S389 K393 Q394 K395	S389-D391 VanDerWaalsContact C-N 3.28Å; D391-K393 VanDerWaalsContact C-N 3.31Å; D391-K393 PolarHBondContact O-N 3.31Å; D391-Q394 PolarHBondContact O-N 2.74Å; D391-K395 VanDerWaalsContact O-CB 3.29Å; D391-K395 WeakPolarHBondContact O-CB 3.37Å; D391-K395 PolarHBondContact O-N 2.95Å
392	D	82.5	Confident	86	Confident	76 Å²	76	69.9 Å²	69.9	41%	0.406	37%	0.374	S	S	.	.	H	α-helix	trans	-63.4	-40	175.9	-65.8	-37.5	0	0	0	111.2	W387 S389 K395 A396	W387-D392 HydrophobicContact CE3-CB 3.88Å; W387-D392 HydrophobicContact CZ3-CB 4.11Å; S389-D392 WeakPolarHBondContact OG-CB 3.32Å; S389-D392 PolarHBondContact OG-N 3.24Å; S389-D392 PolarHBondContact OG-OD2 2.94Å; D392-K395 PolarHBondContact O-N 3.48Å; D392-A396 WeakPolarHBondContact O-CB 3.19Å; D392-A396 PolarHBondContact O-N 3.44Å
393	K	86	Confident	86.2	Confident	34 Å²	34	69.1 Å²	69.1	15%	0.148	37%	0.37	C	S	.	.	H	α-helix	trans	-60.6	-50.8	175.4	-177.5	178.5	-175.1	176.7	0	111.3	S383 W387 S389 E390 D391 K395 A396 I397	S383-K393 PolarHBondContact O-NZ 2.84Å; W387-K393 HydrophobicContact CB-CB 4.13Å; W387-K393 HydrophobicContact CD2-CB 3.64Å; W387-K393 HydrophobicContact CD2-CG 4.12Å; W387-K393 HydrophobicContact CE3-CB 4.16Å; W387-K393 HydrophobicContact CG-CB 3.61Å; W387-K393 HydrophobicContact CG-CD 4.18Å; W387-K393 HydrophobicContact CG-CG 4Å; S389-K393 PolarHBondContact O-N 3.02Å; E390-K393 WeakPolarHBondContact O-CB 3.49Å; E390-K393 PolarHBondContact O-N 2.93Å; D391-K393 VanDerWaalsContact C-N 3.31Å; D391-K393 PolarHBondContact O-N 3.31Å; K393-K395 VanDerWaalsContact C-N 3.34Å; K393-K395 PolarHBondContact O-N 3.31Å; K393-A396 PolarHBondContact O-N 2.88Å; K393-I397 HydrophobicContact CG-CD1 3.93Å; K393-I397 WeakPolarHBondContact O-CG1 3.45Å; K393-I397 PolarHBondContact O-N 3.12Å
394	Q	89.1	Confident	86.4	Confident	85 Å²	85	69.1 Å²	69.1	40%	0.397	37%	0.37	S	S	.	.	H	α-helix	trans	-64.8	-39.5	-179.8	-67.5	-55.5	-38.3	0	0	111.4	E390 D391 A396 I397 L398	E390-Q394 HydrophobicContact CG-CG 4.42Å; E390-Q394 WeakPolarHBondContact O-CG 2.98Å; E390-Q394 PolarHBondContact O-N 2.84Å; E390-Q394 PolarHBondContact OE1-NE2 3.28Å; D391-Q394 PolarHBondContact O-N 2.74Å; Q394-A396 PolarHBondContact O-N 3.48Å; Q394-I397 PolarHBondContact O-N 3.45Å; Q394-L398 VanDerWaalsContact O-CB 3.3Å; Q394-L398 WeakPolarHBondContact O-CB 3.46Å; Q394-L398 WeakPolarHBondContact O-CG 3.39Å; Q394-L398 PolarHBondContact O-N 3.35Å
395	K	87.1	Confident	86.7	Confident	100 Å²	100	63.5 Å²	63.5	44%	0.435	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-42.7	175.1	-176.6	174.8	175.4	-179	0	112.4	D391 D392 K393 T399 D515	D391-K395 VanDerWaalsContact O-CB 3.29Å; D391-K395 WeakPolarHBondContact O-CB 3.37Å; D391-K395 PolarHBondContact O-N 2.95Å; D392-K395 PolarHBondContact O-N 3.48Å; K393-K395 VanDerWaalsContact C-N 3.34Å; K393-K395 PolarHBondContact O-N 3.31Å; K395-T399 WeakPolarHBondContact O-CB 3.35Å; K395-T399 PolarHBondContact O-N 2.96Å; K395-T399 PolarHBondContact O-OG1 3.16Å; K395-D515 WeakPolarHBondContact CE-OD2 3.2Å; K395-D515 IonicContact NZ-OD2 3.08Å; K395-D515 PolarHBondContact NZ-OD2 3.42Å
396	A	86.1	Confident	87.1	Confident	7 Å²	7	61.5 Å²	61.5	6%	0.058	34%	0.34	C	S	.	.	H	α-helix	trans	-63.8	-47.7	175.6	0	0	0	0	0	111.5	L382 W387 D392 K393 Q394 L398 T399 V400 V512	L382-A396 HydrophobicContact CD1-CB 4.27Å; W387-A396 HydrophobicContact CH2-CB 3.38Å; W387-A396 HydrophobicContact CZ2-CB 4.04Å; W387-A396 HydrophobicContact CZ3-CB 4.08Å; D392-A396 WeakPolarHBondContact O-CB 3.19Å; D392-A396 PolarHBondContact O-N 3.44Å; K393-A396 PolarHBondContact O-N 2.88Å; Q394-A396 PolarHBondContact O-N 3.48Å; A396-L398 PolarHBondContact O-N 3.36Å; A396-T399 WeakPolarHBondContact O-CB 3.32Å; A396-T399 PolarHBondContact O-N 2.92Å; A396-V400 WeakPolarHBondContact O-CG2 3.43Å; A396-V400 PolarHBondContact O-N 2.82Å; A396-V512 HydrophobicContact CB-CG1 3.9Å
397	I	91.2	Very high	87.7	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.138	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-44.4	177.7	-70.1	170.3	0	0	0	111.3	T379 L382 K393 Q394 T399 V400 S401	T379-I397 HydrophobicContact CG2-CG2 4.07Å; L382-I397 HydrophobicContact CB-CG1 4.24Å; K393-I397 HydrophobicContact CG-CD1 3.93Å; K393-I397 WeakPolarHBondContact O-CG1 3.45Å; K393-I397 PolarHBondContact O-N 3.12Å; Q394-I397 PolarHBondContact O-N 3.45Å; I397-T399 VanDerWaalsContact C-N 3.31Å; I397-T399 PolarHBondContact O-N 3.05Å; I397-V400 PolarHBondContact O-N 3.2Å; I397-S401 PolarHBondContact O-N 2.84Å
398	L	91	Very high	88.2	Confident	95 Å²	95	53.6 Å²	53.6	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-64.3	-35.6	176.9	-73.8	170.7	0	0	0	112.4	Q394 A396 S401 N402	Q394-L398 VanDerWaalsContact O-CB 3.3Å; Q394-L398 WeakPolarHBondContact O-CB 3.46Å; Q394-L398 WeakPolarHBondContact O-CG 3.39Å; Q394-L398 PolarHBondContact O-N 3.35Å; A396-L398 PolarHBondContact O-N 3.36Å; L398-S401 WeakPolarHBondContact CA-OG 3.39Å; L398-S401 PolarHBondContact O-N 2.87Å; L398-S401 PolarHBondContact O-OG 3.4Å; L398-N402 VanDerWaalsContact O-CB 3.31Å; L398-N402 WeakPolarHBondContact O-CB 3.39Å; L398-N402 PolarHBondContact O-N 2.83Å; L398-N402 VanDerWaalsContact O-N 3.11Å; L398-N402 PolarHBondContact O-ND2 2.99Å
399	T	89.3	Confident	89.1	Confident	24 Å²	24	48.7 Å²	48.7	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-46.4	174.1	-57.2	0	0	0	0	110.2	K395 A396 I397 S401 N402 I403 R472 V512	K395-T399 WeakPolarHBondContact O-CB 3.35Å; K395-T399 PolarHBondContact O-N 2.96Å; K395-T399 PolarHBondContact O-OG1 3.16Å; A396-T399 WeakPolarHBondContact O-CB 3.32Å; A396-T399 PolarHBondContact O-N 2.92Å; I397-T399 VanDerWaalsContact C-N 3.31Å; I397-T399 PolarHBondContact O-N 3.05Å; T399-S401 PolarHBondContact O-N 3.49Å; T399-N402 PolarHBondContact O-N 3.39Å; T399-I403 PolarHBondContact O-N 3.28Å; T399-R472 HydrophobicContact CG2-CB 4.25Å; T399-V512 HydrophobicContact CG2-CG2 4.34Å
400	V	92.4	Very high	89.5	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-38.3	176.5	178	0	0	0	0	111.8	K375 L378 L382 A396 I397 N402 I403 V512	K375-V400 HydrophobicContact CB-CG1 4.05Å; K375-V400 WeakPolarHBondContact CE-O 3.42Å; K375-V400 HydrophobicContact CG-CG1 4.37Å; K375-V400 WeakPolarHBondContact O-CG1 3.41Å; L378-V400 HydrophobicContact CB-CG1 4.29Å; L378-V400 HydrophobicContact CD2-CG1 4.19Å; L378-V400 HydrophobicContact CD2-CG2 3.52Å; L378-V400 HydrophobicContact CG-CG1 4.41Å; L378-V400 HydrophobicContact CG-CG2 4.03Å; L382-V400 HydrophobicContact CD1-CG2 3.81Å; A396-V400 WeakPolarHBondContact O-CG2 3.43Å; A396-V400 PolarHBondContact O-N 2.82Å; I397-V400 PolarHBondContact O-N 3.2Å; V400-N402 VanDerWaalsContact C-N 3.33Å; V400-N402 PolarHBondContact O-N 3.46Å; V400-I403 WeakPolarHBondContact O-CG2 3.28Å; V400-V512 HydrophobicContact CG2-CG2 3.39Å
401	S	91.5	Very high	89.6	Confident	56 Å²	56	45.8 Å²	45.8	39%	0.392	25%	0.249	S	C	.	.	H	α-helix	trans	-66.7	-38.8	179.3	65.2	0	0	0	0	112	K375 I397 L398 T399	K375-S401 PolarHBondContact NZ-O 2.76Å; I397-S401 PolarHBondContact O-N 2.84Å; L398-S401 WeakPolarHBondContact CA-OG 3.39Å; L398-S401 PolarHBondContact O-N 2.87Å; L398-S401 PolarHBondContact O-OG 3.4Å; T399-S401 PolarHBondContact O-N 3.49Å
402	N	91.7	Very high	89.7	Confident	109 Å²	109	40.7 Å²	40.7	58%	0.583	22%	0.22	S	C	*	.	H	α-helix	trans	-84.8	-19.8	-173	-66.7	-14.8	0	0	0	113.8	L398 T399 V400 S404	L398-N402 VanDerWaalsContact O-CB 3.31Å; L398-N402 WeakPolarHBondContact O-CB 3.39Å; L398-N402 PolarHBondContact O-N 2.83Å; L398-N402 VanDerWaalsContact O-N 3.11Å; L398-N402 PolarHBondContact O-ND2 2.99Å; T399-N402 PolarHBondContact O-N 3.39Å; V400-N402 VanDerWaalsContact C-N 3.33Å; V400-N402 PolarHBondContact O-N 3.46Å; N402-S404 PolarHBondContact O-N 2.75Å
403	I	92.1	Very high	89.8	Confident	1 Å²	1	37 Å²	37	1%	0.005	20%	0.201	C	C	.	.			trans	-66.6	133.5	176.9	-156.5	172.2	0	0	0	110.6	F371 K375 T399 V400 T469 R473 V475 I508 A511	F371-I403 HydrophobicContact CE1-CG2 4.19Å; F371-I403 HydrophobicContact CZ-CG1 4.47Å; F371-I403 HydrophobicContact CZ-CG2 4.25Å; K375-I403 HydrophobicContact CD-CG2 4.23Å; K375-I403 WeakPolarHBondContact CD-O 3.21Å; K375-I403 WeakPolarHBondContact CE-O 3.46Å; K375-I403 HydrophobicContact CG-CG2 4.24Å; K375-I403 PolarHBondContact NZ-O 3.03Å; T399-I403 PolarHBondContact O-N 3.28Å; V400-I403 WeakPolarHBondContact O-CG2 3.28Å; I403-T469 HydrophobicContact CD1-CG2 4.44Å; I403-R473 CarbonylContact C-O 3.55Å; I403-R473 VanDerWaalsContact CA-O 3.31Å; I403-R473 WeakPolarHBondContact CA-O 3.34Å; I403-V475 HydrophobicContact CD1-CG2 3.68Å; I403-V475 HydrophobicContact CG1-CG2 4.12Å; I403-I508 HydrophobicContact CD1-CG1 4.43Å; I403-I508 HydrophobicContact CG2-CG1 4.44Å; I403-A511 HydrophobicContact CD1-CB 3.63Å
404	S	93.3	Very high	89.6	Confident	53 Å²	53	40 Å²	40	37%	0.371	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	164.4	-179.7	63.6	0	0	0	0	110.5	N402 R473 S474 V475	N402-S404 PolarHBondContact O-N 2.75Å; S404-R473 PolarHBondContact N-O 3.47Å; S404-R473 PolarHBondContact OG-O 2.85Å; S404-S474 CarbonylContact O-C 3.57Å; S404-S474 WeakPolarHBondContact O-CA 3.43Å; S404-S474 PolarHBondContact OG-OG 3.23Å; S404-V475 PolarHBondContact O-N 2.89Å
405	V	93.9	Very high	89.1	Confident	18 Å²	18	43 Å²	43	11%	0.109	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.3	171	60.8	0	0	0	0	109.1	V367 N368 F371 M407 V475 I477 F504	V367-V405 HydrophobicContact CG1-CG2 4.41Å; N368-V405 WeakPolarHBondContact OD1-CG1 3.42Å; F371-V405 HydrophobicContact CB-CG1 4.16Å; F371-V405 HydrophobicContact CD1-CB 4.05Å; F371-V405 HydrophobicContact CD1-CG1 4.14Å; F371-V405 HydrophobicContact CD2-CB 4.06Å; F371-V405 HydrophobicContact CE1-CB 4.23Å; F371-V405 HydrophobicContact CE2-CB 4.26Å; F371-V405 HydrophobicContact CG-CB 3.96Å; F371-V405 HydrophobicContact CG-CG1 4.06Å; F371-V405 HydrophobicContact CZ-CB 4.34Å; V405-M407 HydrophobicContact CG1-CE 3.96Å; V405-M407 HydrophobicContact CG2-CE 4.44Å; V405-M407 HydrophobicContact CG2-CG 4.47Å; V405-V475 CarbonylContact C-O 3.56Å; V405-V475 WeakPolarHBondContact CA-O 3.22Å; V405-I477 HydrophobicContact CG2-CG2 3.81Å; V405-F504 HydrophobicContact CG2-CE1 4.34Å
406	L	91.4	Very high	88.4	Confident	37 Å²	37	39 Å²	39	19%	0.194	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.4	175.6	-178.7	66.6	0	0	0	109.3	F412 L455 V475 V476 I477	L406-F412 HydrophobicContact CD1-CD2 4Å; L406-F412 HydrophobicContact CD1-CE2 3.66Å; L406-F412 HydrophobicContact CD1-CZ 4.29Å; L406-F412 HydrophobicContact CD2-CE2 4.21Å; L406-F412 HydrophobicContact CD2-CZ 4.01Å; L406-F412 HydrophobicContact CG-CE2 4.33Å; L406-F412 HydrophobicContact CG-CZ 4.49Å; L406-L455 HydrophobicContact CD2-CD1 4.26Å; L406-L455 HydrophobicContact CD2-CD2 4.08Å; L406-V475 PolarHBondContact N-O 2.97Å; L406-V476 HydrophobicContact CB-CG2 4.44Å; L406-V476 HydrophobicContact CD2-CG2 4.28Å; L406-V476 WeakPolarHBondContact O-CA 3.41Å; L406-I477 PolarHBondContact O-N 3.45Å
407	M	91.7	Very high	87.4	Confident	18 Å²	18	39.3 Å²	39.3	9%	0.089	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	114	179.2	-57.4	173.6	-155.3	0	0	109.8	I359 K364 V367 V405 D409 I477 L482	I359-M407 HydrophobicContact CD1-CB 4.04Å; I359-M407 HydrophobicContact CD1-SD 3.96Å; K364-M407 HydrophobicContact CB-SD 4.05Å; K364-M407 HydrophobicContact CG-SD 3.88Å; V367-M407 HydrophobicContact CB-CE 3.61Å; V367-M407 HydrophobicContact CB-SD 4.46Å; V367-M407 HydrophobicContact CG1-CE 3.46Å; V367-M407 VanDerWaalsContact CG1-CE 3.46Å; V367-M407 HydrophobicContact CG1-SD 4.46Å; V405-M407 HydrophobicContact CG1-CE 3.96Å; V405-M407 HydrophobicContact CG2-CE 4.44Å; V405-M407 HydrophobicContact CG2-CG 4.47Å; M407-D409 PolarHBondContact O-N 3.1Å; M407-I477 WeakPolarHBondContact CA-O 3.47Å; M407-I477 HydrophobicContact CB-CG2 4.24Å; M407-I477 HydrophobicContact CG-CG2 3.73Å; M407-L482 HydrophobicContact SD-CD1 4.42Å
408	V	88.5	Confident	85.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	93	176.8	-177	0	0	0	0	108.6	F412 L413 L459 V476 I477 F478 S479	V408-F412 HydrophobicContact CB-CD1 4.41Å; V408-F412 HydrophobicContact CG1-CD1 4.11Å; V408-F412 HydrophobicContact CG1-CE1 4.48Å; V408-F412 HydrophobicContact CG2-CD1 4.3Å; V408-F412 HydrophobicContact CG2-CE1 4.24Å; V408-L413 HydrophobicContact CG1-CD1 4.22Å; V408-L413 HydrophobicContact CG1-CD2 3.89Å; V408-L413 HydrophobicContact CG1-CG 4.02Å; V408-L459 HydrophobicContact CG2-CD1 4.08Å; V408-L459 HydrophobicContact CG2-CD2 3.88Å; V408-V476 HydrophobicContact CG2-CG1 3.59Å; V408-I477 PolarHBondContact N-O 3.26Å; V408-F478 HydrophobicContact CB-CD1 3.78Å; V408-F478 HydrophobicContact CB-CE1 4.11Å; V408-F478 HydrophobicContact CG1-CD1 3.77Å; V408-F478 HydrophobicContact CG1-CE1 3.83Å; V408-F478 HydrophobicContact CG2-CD1 4.44Å; V408-F478 HydrophobicContact CG2-CE1 4.42Å; V408-S479 VanDerWaalsContact O-CB 3.3Å; V408-S479 WeakPolarHBondContact O-CB 3.5Å; V408-S479 PolarHBondContact O-N 3.43Å; V408-S479 PolarHBondContact O-OG 3.08Å; V408-S479 VanDerWaalsContact O-OG 3.07Å
409	D	90.3	Very high	84.2	Confident	3 Å²	3	41 Å²	41	2%	0.016	22%	0.219	C	C	.	.			trans	-119.3	176.7	176.8	82.8	-28.9	0	0	0	111.1	S357 I359 K364 M407 V411 F412 L413	S357-D409 CarbonylContact O-C 3.16Å; S357-D409 VanDerWaalsContact O-CA 3.24Å; S357-D409 WeakPolarHBondContact O-CA 3.39Å; S357-D409 VanDerWaalsContact O-CB 3.25Å; S357-D409 WeakPolarHBondContact O-CB 3.11Å; I359-D409 HydrophobicContact CD1-CB 3.98Å; I359-D409 HydrophobicContact CG1-CB 3.89Å; K364-D409 WeakPolarHBondContact CE-OD2 3.31Å; K364-D409 IonicContact NZ-OD1 3.65Å; K364-D409 IonicContact NZ-OD2 3.44Å; K364-D409 PolarHBondContact NZ-OD2 2.88Å; M407-D409 PolarHBondContact O-N 3.1Å; D409-V411 PolarHBondContact O-N 3.45Å; D409-V411 PolarHBondContact OD1-N 2.94Å; D409-F412 PolarHBondContact O-N 3.2Å; D409-F412 WeakPolarHBondContact OD1-CB 3.28Å; D409-F412 PolarHBondContact OD1-N 3.31Å; D409-L413 WeakPolarHBondContact O-CG 3.46Å; D409-L413 PolarHBondContact O-N 2.84Å
410	S	88.8	Confident	82.3	Confident	14 Å²	14	43.5 Å²	43.5	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-37	-179.3	62.2	0	0	0	0	112.5	S357 S358 L413 D414	S357-S410 PolarHBondContact O-N 2.78Å; S358-S410 PolarHBondContact OG-OG 2.89Å; S410-L413 PolarHBondContact O-N 2.86Å; S410-D414 WeakPolarHBondContact O-CB 3.42Å; S410-D414 PolarHBondContact O-N 3.25Å
411	V	88.7	Confident	80.6	Confident	69 Å²	69	50 Å²	50	42%	0.418	26%	0.258	S	S	.	.	H	α-helix	trans	-69.6	-42.6	-179.7	-179.7	0	0	0	0	111.6	D409 D414 Q415	D409-V411 PolarHBondContact O-N 3.45Å; D409-V411 PolarHBondContact OD1-N 2.94Å; V411-D414 WeakPolarHBondContact O-CB 3.04Å; V411-D414 PolarHBondContact O-N 3.49Å; V411-Q415 WeakPolarHBondContact O-CG 3.49Å; V411-Q415 PolarHBondContact O-N 3.29Å
412	F	87.5	Confident	79.4	Confident	26 Å²	26	48.7 Å²	48.7	11%	0.114	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-49.1	172.6	173.2	-95.9	0	0	0	110.4	L406 V408 D409 D414 Q415 V416 L455 L459	L406-F412 HydrophobicContact CD1-CD2 4Å; L406-F412 HydrophobicContact CD1-CE2 3.66Å; L406-F412 HydrophobicContact CD1-CZ 4.29Å; L406-F412 HydrophobicContact CD2-CE2 4.21Å; L406-F412 HydrophobicContact CD2-CZ 4.01Å; L406-F412 HydrophobicContact CG-CE2 4.33Å; L406-F412 HydrophobicContact CG-CZ 4.49Å; V408-F412 HydrophobicContact CB-CD1 4.41Å; V408-F412 HydrophobicContact CG1-CD1 4.11Å; V408-F412 HydrophobicContact CG1-CE1 4.48Å; V408-F412 HydrophobicContact CG2-CD1 4.3Å; V408-F412 HydrophobicContact CG2-CE1 4.24Å; D409-F412 PolarHBondContact O-N 3.2Å; D409-F412 WeakPolarHBondContact OD1-CB 3.28Å; D409-F412 PolarHBondContact OD1-N 3.31Å; F412-D414 PolarHBondContact O-N 3.06Å; F412-Q415 WeakPolarHBondContact O-CB 3.49Å; F412-Q415 PolarHBondContact O-N 2.93Å; F412-V416 HydrophobicContact CD1-CG2 4.09Å; F412-V416 HydrophobicContact CD2-CG2 3.81Å; F412-V416 HydrophobicContact CE1-CB 4.38Å; F412-V416 HydrophobicContact CE1-CG2 3.73Å; F412-V416 HydrophobicContact CE2-CG2 3.41Å; F412-V416 VanDerWaalsContact CE2-CG2 3.41Å; F412-V416 HydrophobicContact CG-CG2 4.14Å; F412-V416 HydrophobicContact CZ-CB 4.31Å; F412-V416 HydrophobicContact CZ-CG1 4.36Å; F412-V416 HydrophobicContact CZ-CG2 3.37Å; F412-V416 WeakPolarHBondContact O-CG2 3.35Å; F412-V416 PolarHBondContact O-N 3.41Å; F412-V416 VanDerWaalsContact O-N 3.13Å; F412-L455 HydrophobicContact CZ-CD2 3.94Å; F412-L459 HydrophobicContact CE1-CD1 3.81Å; F412-L459 HydrophobicContact CZ-CD1 4.41Å
413	L	83.7	Confident	78.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-28.8	-179.8	-68.6	176.4	0	0	0	113.3	W347 W348 N351 K352 V408 D409 S410 Q415	W347-L413 HydrophobicContact CH2-CD2 4.12Å; W347-L413 HydrophobicContact CZ3-CD2 4.09Å; W348-L413 WeakPolarHBondContact CZ2-O 3.33Å; W348-L413 PolarHBondContact NE1-O 3.22Å; N351-L413 HydrophobicContact CB-CD1 3.8Å; K352-L413 HydrophobicContact CB-CB 4.36Å; K352-L413 HydrophobicContact CB-CD1 3.92Å; V408-L413 HydrophobicContact CG1-CD1 4.22Å; V408-L413 HydrophobicContact CG1-CD2 3.89Å; V408-L413 HydrophobicContact CG1-CG 4.02Å; D409-L413 WeakPolarHBondContact O-CG 3.46Å; D409-L413 PolarHBondContact O-N 2.84Å; S410-L413 PolarHBondContact O-N 2.86Å; L413-Q415 VanDerWaalsContact C-N 3.32Å
414	D	82.3	Confident	77.1	Confident	95 Å²	95	47.6 Å²	47.6	51%	0.508	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-33.6	169.6	-92.7	-46.3	0	0	0	113.4	K352 S410 V411 F412	K352-D414 VanDerWaalsContact CE-OD1 3.24Å; K352-D414 WeakPolarHBondContact CE-OD1 3.43Å; K352-D414 IonicContact NZ-OD1 2.8Å; K352-D414 PolarHBondContact NZ-OD1 3.45Å; K352-D414 IonicContact NZ-OD2 3.16Å; S410-D414 WeakPolarHBondContact O-CB 3.42Å; S410-D414 PolarHBondContact O-N 3.25Å; V411-D414 WeakPolarHBondContact O-CB 3.04Å; V411-D414 PolarHBondContact O-N 3.49Å; F412-D414 PolarHBondContact O-N 3.06Å
415	Q	78.4	Confident	76.2	Confident	149 Å²	149	49.8 Å²	49.8	70%	0.696	25%	0.245	S	C	*	.	H	α-helix	trans	-83.3	-37.9	-176.7	-68.2	171.4	-3.3	0	0	112.4	V411 F412 L413	V411-Q415 WeakPolarHBondContact O-CG 3.49Å; V411-Q415 PolarHBondContact O-N 3.29Å; F412-Q415 WeakPolarHBondContact O-CB 3.49Å; F412-Q415 PolarHBondContact O-N 2.93Å; L413-Q415 VanDerWaalsContact C-N 3.32Å
416	V	72.2	Confident	75.5	Confident	16 Å²	16	50.2 Å²	50.2	10%	0.097	25%	0.246	C	C	.	.	H	α-helix	trans	-90.6	-18.5	-165.9	-169.9	0	0	0	0	112.7	F412 D452 L456	F412-V416 HydrophobicContact CD1-CG2 4.09Å; F412-V416 HydrophobicContact CD2-CG2 3.81Å; F412-V416 HydrophobicContact CE1-CB 4.38Å; F412-V416 HydrophobicContact CE1-CG2 3.73Å; F412-V416 HydrophobicContact CE2-CG2 3.41Å; F412-V416 VanDerWaalsContact CE2-CG2 3.41Å; F412-V416 HydrophobicContact CG-CG2 4.14Å; F412-V416 HydrophobicContact CZ-CB 4.31Å; F412-V416 HydrophobicContact CZ-CG1 4.36Å; F412-V416 HydrophobicContact CZ-CG2 3.37Å; F412-V416 WeakPolarHBondContact O-CG2 3.35Å; F412-V416 PolarHBondContact O-N 3.41Å; F412-V416 VanDerWaalsContact O-N 3.13Å; V416-D452 HydrophobicContact CG1-CB 3.57Å; V416-L456 HydrophobicContact CG1-CD1 4.33Å
417	N	64.8	Low	74.7	Confident	14 Å²	14	57.2 Å²	57.2	8%	0.075	28%	0.278	C	S	.	.			trans	-153.7	133.3	-171.3	-176.8	18.7	0	0	0	114.3	W348 E419 L456	W348-N417 VanDerWaalsContact CZ2-O 3.23Å; W348-N417 WeakPolarHBondContact CZ2-O 3.48Å; N417-E419 VanDerWaalsContact ND2-CB 3.26Å; N417-E419 WeakPolarHBondContact ND2-CB 3.49Å; N417-E419 PolarHBondContact ND2-OE2 3.33Å; N417-E419 WeakPolarHBondContact OD1-CB 3.33Å; N417-E419 PolarHBondContact OD1-N 3.42Å; N417-L456 HydrophobicContact CB-CD1 3.98Å; N417-L456 HydrophobicContact CB-CD2 4.22Å
418	K	59.4	Low	74.2	Confident	156 Å²	156	58.1 Å²	58.1	68%	0.678	28%	0.283	S	S	*	.			trans	-103.1	25.9	173.5	-68.5	-172.1	178.8	-175.9	0	113.2	K420 E421	K418-K420 PolarHBondContact O-N 2.82Å; K418-E421 PolarHBondContact O-N 3.3Å; K418-E421 VanDerWaalsContact O-N 3.08Å
419	E	55.7	Low	73.7	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-51	-24.3	175.5	-172.4	163.4	-160.9	0	0	113.5	W347 W348 N417 E421 I422 I423 T447	W347-E419 PolarHBondContact NE1-OE2 3.39Å; W348-E419 WeakPolarHBondContact CB-OE2 3.29Å; W348-E419 HydrophobicContact CD2-CB 4.45Å; W348-E419 HydrophobicContact CG-CB 4.49Å; N417-E419 VanDerWaalsContact ND2-CB 3.26Å; N417-E419 WeakPolarHBondContact ND2-CB 3.49Å; N417-E419 PolarHBondContact ND2-OE2 3.33Å; N417-E419 WeakPolarHBondContact OD1-CB 3.33Å; N417-E419 PolarHBondContact OD1-N 3.42Å; E419-E421 PolarHBondContact O-N 2.98Å; E419-E421 VanDerWaalsContact O-N 3.12Å; E419-I422 PolarHBondContact O-N 3.39Å; E419-I423 HydrophobicContact CG-CD1 3.71Å; E419-I423 HydrophobicContact CG-CG1 4.06Å; E419-I423 PolarHBondContact O-N 3.2Å; E419-T447 HydrophobicContact CB-CG2 3.71Å; E419-T447 HydrophobicContact CG-CG2 3.89Å
420	K	49.6	Very low	72.9	Confident	77 Å²	77	66 Å²	66	34%	0.335	33%	0.326	S	S	.	.	H	α-helix	trans	-41.9	-43.7	170.2	-111.2	173.8	-162.7	-166.9	0	113.6	W348 E353 K418 L424	W348-K420 HydrophobicContact CH2-CB 4.06Å; W348-K420 HydrophobicContact CH2-CD 3.67Å; W348-K420 HydrophobicContact CH2-CG 3.56Å; W348-K420 HydrophobicContact CZ3-CB 4.26Å; W348-K420 HydrophobicContact CZ3-CD 4.04Å; W348-K420 HydrophobicContact CZ3-CG 3.58Å; E353-K420 WeakPolarHBondContact OE1-CE 3.42Å; E353-K420 IonicContact OE1-NZ 2.76Å; E353-K420 PolarHBondContact OE1-NZ 2.88Å; K418-K420 PolarHBondContact O-N 2.82Å; K420-L424 VanDerWaalsContact O-CD1 3.31Å; K420-L424 WeakPolarHBondContact O-CD1 3.31Å; K420-L424 WeakPolarHBondContact O-CG 3.2Å
421	E	57.8	Low	72.3	Confident	136 Å²	136	71.2 Å²	71.2	64%	0.636	35%	0.353	S	S	*	.	H	α-helix	trans	-84.3	-34.2	-172.8	-69.8	176.8	-178.3	0	0	111.9	K418 E419 E425	K418-E421 PolarHBondContact O-N 3.3Å; K418-E421 VanDerWaalsContact O-N 3.08Å; E419-E421 PolarHBondContact O-N 2.98Å; E419-E421 VanDerWaalsContact O-N 3.12Å; E421-E425 PolarHBondContact O-N 3.48Å
422	I	64.9	Low	72.2	Confident	29 Å²	29	68.3 Å²	68.3	15%	0.149	34%	0.335	C	S	.	.	H	α-helix	trans	-81.7	-40.6	-168.3	-57	172.4	0	0	0	112.3	E419 L424 E425 A443 K446 T447	E419-I422 PolarHBondContact O-N 3.39Å; I422-L424 PolarHBondContact O-N 2.87Å; I422-E425 VanDerWaalsContact O-CB 3.29Å; I422-E425 WeakPolarHBondContact O-CB 3.47Å; I422-E425 PolarHBondContact O-N 3.29Å; I422-E425 VanDerWaalsContact O-N 3.1Å; I422-A443 HydrophobicContact CB-CB 4.41Å; I422-A443 HydrophobicContact CG2-CB 3.88Å; I422-K446 HydrophobicContact CD1-CB 4.01Å; I422-K446 HydrophobicContact CG2-CB 4.09Å; I422-K446 HydrophobicContact CG2-CD 3.61Å; I422-K446 HydrophobicContact CG2-CG 4.49Å; I422-T447 HydrophobicContact CD1-CG2 3.77Å
423	I	68.3	Low	72.4	Confident	9 Å²	9	67.5 Å²	67.5	5%	0.046	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-35.8	175.7	-67	176.3	0	0	0	110.2	A88 F346 E419 E425 A443	A88-I423 HydrophobicContact CB-CG2 4.48Å; F346-I423 HydrophobicContact CD1-CD1 4.27Å; F346-I423 HydrophobicContact CD1-CG2 4.4Å; F346-I423 HydrophobicContact CE1-CG2 3.71Å; F346-I423 HydrophobicContact CZ-CG2 4.43Å; E419-I423 HydrophobicContact CG-CD1 3.71Å; E419-I423 HydrophobicContact CG-CG1 4.06Å; E419-I423 PolarHBondContact O-N 3.2Å; I423-E425 VanDerWaalsContact C-N 3.33Å; I423-A443 HydrophobicContact CB-CB 4.19Å; I423-A443 HydrophobicContact CG1-CB 3.38Å
424	L	67.2	Low	72.8	Confident	78 Å²	78	67.6 Å²	67.6	41%	0.408	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.9	178.7	-61.3	178.6	0	0	0	113.8	P84 A88 K420 I422 N426	P84-L424 HydrophobicContact CB-CD1 3.87Å; P84-L424 HydrophobicContact CB-CD2 4.1Å; A88-L424 HydrophobicContact CB-CD2 4.27Å; K420-L424 VanDerWaalsContact O-CD1 3.31Å; K420-L424 WeakPolarHBondContact O-CD1 3.31Å; K420-L424 WeakPolarHBondContact O-CG 3.2Å; I422-L424 PolarHBondContact O-N 2.87Å; L424-N426 PolarHBondContact O-N 3.22Å; L424-N426 VanDerWaalsContact O-N 3.17Å
425	E	76.1	Confident	73.3	Confident	99 Å²	99	64.1 Å²	64.1	46%	0.463	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.7	175.3	-76.8	175.2	-172.5	0	0	112.2	E421 I422 I423 K446	E421-E425 PolarHBondContact O-N 3.48Å; I422-E425 VanDerWaalsContact O-CB 3.29Å; I422-E425 WeakPolarHBondContact O-CB 3.47Å; I422-E425 PolarHBondContact O-N 3.29Å; I422-E425 VanDerWaalsContact O-N 3.1Å; I423-E425 VanDerWaalsContact C-N 3.33Å; E425-K446 IonicContact OE1-NZ 3.86Å; E425-K446 IonicContact OE2-NZ 3.11Å; E425-K446 PolarHBondContact OE2-NZ 2.78Å
426	N	77.6	Confident	73.8	Confident	27 Å²	27	57 Å²	57	14%	0.144	28%	0.28	C	S	.	.	S	Bend	trans	-119.3	119.1	-179.4	-49.1	-90.3	0	0	0	108.8	L424 L428 Y439	L424-N426 PolarHBondContact O-N 3.22Å; L424-N426 VanDerWaalsContact O-N 3.17Å; N426-L428 PolarHBondContact O-N 3.37Å; N426-Y439 HydrophobicContact CB-CD1 3.95Å; N426-Y439 HydrophobicContact CB-CD2 3.44Å; N426-Y439 VanDerWaalsContact CB-CD2 3.44Å; N426-Y439 HydrophobicContact CB-CE1 4.16Å; N426-Y439 HydrophobicContact CB-CE2 3.66Å; N426-Y439 HydrophobicContact CB-CG 3.6Å
427	E	75.8	Confident	74.7	Confident	185 Å²	185	56.3 Å²	56.3	86%	0.864	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-62	118.8	174.9	-71.1	-173.4	169.8	0	0	110.1	S429	E427-S429 PolarHBondContact O-N 3.29Å
428	L	80.6	Confident	75.9	Confident	36 Å²	36	56 Å²	56	19%	0.188	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-70	124.9	175.5	-59.6	-173.9	0	0	0	109.5	A88 F92 F346 N426 N436 Y439	A88-L428 HydrophobicContact CB-CD1 3.75Å; A88-L428 VanDerWaalsContact O-CD1 3.29Å; A88-L428 WeakPolarHBondContact O-CD1 3.4Å; F92-L428 HydrophobicContact CB-CD1 4.43Å; F346-L428 HydrophobicContact CE1-CD1 4.36Å; F346-L428 HydrophobicContact CZ-CD1 3.91Å; N426-L428 PolarHBondContact O-N 3.37Å; L428-N436 WeakPolarHBondContact CA-OD1 3.41Å; L428-N436 HydrophobicContact CD2-CB 3.99Å; L428-Y439 HydrophobicContact CD2-CD2 4.47Å
429	S	78.1	Confident	77.3	Confident	56 Å²	56	50.7 Å²	50.7	39%	0.392	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-84.8	128.4	177.5	-175.9	0	0	0	0	110	E427 N431 N432 N436	E427-S429 PolarHBondContact O-N 3.29Å; S429-N431 PolarHBondContact O-N 3.17Å; S429-N432 PolarHBondContact O-N 3.12Å; S429-N436 PolarHBondContact N-OD1 3.28Å; S429-N436 PolarHBondContact O-ND2 3.39Å
430	E	73.1	Confident	78.7	Confident	114 Å²	114	50.7 Å²	50.7	53%	0.533	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-18	175.9	-68.9	-164.5	-146.8	0	0	113.6	K94 T95	K94-E430 IonicContact NZ-OE2 3.65Å; K94-E430 PolarHBondContact NZ-OE2 2.02Å; T95-E430 VanDerWaalsContact CG2-C 3.46Å; T95-E430 WeakPolarHBondContact CG2-O 3.2Å
431	N	76.8	Confident	80.3	Confident	123 Å²	123	48 Å²	48	66%	0.658	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.6	8.8	-173.8	-67.1	-33.6	0	0	0	114.2	K110 S429	K110-N431 WeakPolarHBondContact CE-O 3.3Å; K110-N431 PolarHBondContact NZ-O 3.1Å; S429-N431 PolarHBondContact O-N 3.17Å
432	N	86.7	Confident	81.7	Confident	9 Å²	9	43 Å²	43	5%	0.048	21%	0.214	C	C	.	.			trans	-140.5	84.2	-178.9	-155.2	-36.5	0	0	0	114	S429 F434 I435 N436	S429-N432 PolarHBondContact O-N 3.12Å; N432-F434 PolarHBondContact O-N 3.28Å; N432-F434 PolarHBondContact OD1-N 2.65Å; N432-I435 HydrophobicContact CB-CB 4.07Å; N432-I435 HydrophobicContact CB-CD1 3.99Å; N432-I435 HydrophobicContact CB-CG1 4.22Å; N432-I435 VanDerWaalsContact CG-CG1 3.41Å; N432-I435 WeakPolarHBondContact ND2-CD1 3.47Å; N432-I435 WeakPolarHBondContact ND2-CG1 3.45Å; N432-I435 PolarHBondContact O-N 2.87Å; N432-I435 WeakPolarHBondContact OD1-CG1 3.48Å; N432-I435 PolarHBondContact OD1-N 2.62Å; N432-I435 VanDerWaalsContact OD1-N 3.12Å; N432-N436 PolarHBondContact O-N 3.16Å; N432-N436 PolarHBondContact O-ND2 3.47Å; N432-N436 PolarHBondContact O-OD1 2.74Å
433	Y	91.3	Very high	82.4	Confident	8 Å²	8	41.7 Å²	41.7	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-55.7	-46.8	176.3	161.9	-110.3	0	0	0	113.8	F92 C96 A99 Y318 Y322 E341 I435 N436 A437	F92-Y433 HydrophobicContact CE2-CD2 4.46Å; F92-Y433 HydrophobicContact CE2-CE2 4.34Å; F92-Y433 HydrophobicContact CZ-CD2 4.46Å; F92-Y433 AromaticContact CZ-CE2 3.97Å; F92-Y433 HydrophobicContact CZ-CE2 3.97Å; C96-Y433 VanDerWaalsContact CA-CD2 3.49Å; C96-Y433 HydrophobicContact CB-CD2 3.61Å; C96-Y433 HydrophobicContact CB-CE2 3.55Å; A99-Y433 HydrophobicContact CB-CD1 3.68Å; A99-Y433 HydrophobicContact CB-CE1 4.5Å; A99-Y433 HydrophobicContact CB-CG 3.77Å; Y318-Y433 WeakPolarHBondContact CD1-OH 3.42Å; Y322-Y433 HydrophobicContact CE2-CE1 4.22Å; E341-Y433 PolarHBondContact OE1-OH 2.91Å; E341-Y433 VanDerWaalsContact OE1-OH 3.06Å; E341-Y433 WeakPolarHBondContact OE2-CE2 3.29Å; E341-Y433 PolarHBondContact OE2-OH 3.16Å; Y433-I435 PolarHBondContact O-N 3.24Å; Y433-N436 PolarHBondContact O-N 2.86Å; Y433-N436 VanDerWaalsContact O-N 3.14Å; Y433-A437 WeakPolarHBondContact O-CB 3.47Å; Y433-A437 PolarHBondContact O-N 3.29Å
434	F	91.9	Very high	82.8	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-68	-35.5	-176.5	-66.5	-75.9	0	0	0	112.9	I107 K110 I111 L114 M315 L319 Y322 N432 A437 Y438	I107-F434 HydrophobicContact CD1-CE2 3.96Å; I107-F434 HydrophobicContact CD1-CZ 4.25Å; I107-F434 HydrophobicContact CG2-CE2 3.95Å; I107-F434 HydrophobicContact CG2-CZ 3.78Å; K110-F434 HydrophobicContact CB-CD2 3.8Å; K110-F434 HydrophobicContact CB-CE2 4.1Å; I111-F434 HydrophobicContact CG1-CD2 4.39Å; I111-F434 HydrophobicContact CG1-CE1 4.48Å; I111-F434 HydrophobicContact CG1-CE2 4.2Å; I111-F434 HydrophobicContact CG1-CZ 4.25Å; L114-F434 HydrophobicContact CD2-CB 4.04Å; M315-F434 HydrophobicContact CE-CD1 3.98Å; L319-F434 HydrophobicContact CD2-CE1 3.91Å; L319-F434 HydrophobicContact CD2-CZ 4.46Å; Y322-F434 AromaticContact CD2-CZ 3.99Å; Y322-F434 HydrophobicContact CD2-CZ 3.99Å; Y322-F434 HydrophobicContact CE2-CE1 4.17Å; Y322-F434 AromaticContact CE2-CZ 3.7Å; Y322-F434 HydrophobicContact CE2-CZ 3.7Å; N432-F434 PolarHBondContact O-N 3.28Å; N432-F434 PolarHBondContact OD1-N 2.65Å; F434-A437 PolarHBondContact O-N 3.1Å; F434-Y438 WeakPolarHBondContact O-CB 3.29Å; F434-Y438 PolarHBondContact O-N 3.35Å
435	I	92.1	Very high	83.3	Confident	23 Å²	23	41.3 Å²	41.3	12%	0.118	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-45.5	170.5	-68.9	177.8	0	0	0	110.3	L114 L117 N432 Y433 A437 Y438 Y439	L114-I435 HydrophobicContact CD1-CB 4.49Å; L114-I435 HydrophobicContact CD1-CG1 3.79Å; L117-I435 HydrophobicContact CD2-CD1 3.6Å; L117-I435 HydrophobicContact CD2-CG1 4.03Å; L117-I435 HydrophobicContact CD2-CG2 4.31Å; N432-I435 HydrophobicContact CB-CB 4.07Å; N432-I435 HydrophobicContact CB-CD1 3.99Å; N432-I435 HydrophobicContact CB-CG1 4.22Å; N432-I435 VanDerWaalsContact CG-CG1 3.41Å; N432-I435 WeakPolarHBondContact ND2-CD1 3.47Å; N432-I435 WeakPolarHBondContact ND2-CG1 3.45Å; N432-I435 PolarHBondContact O-N 2.87Å; N432-I435 WeakPolarHBondContact OD1-CG1 3.48Å; N432-I435 PolarHBondContact OD1-N 2.62Å; N432-I435 VanDerWaalsContact OD1-N 3.12Å; Y433-I435 PolarHBondContact O-N 3.24Å; I435-A437 VanDerWaalsContact C-N 3.31Å; I435-A437 PolarHBondContact O-N 2.91Å; I435-Y438 WeakPolarHBondContact O-CB 3.21Å; I435-Y438 PolarHBondContact O-N 2.85Å; I435-Y438 VanDerWaalsContact O-N 3.16Å; I435-Y439 HydrophobicContact CG2-CD2 3.66Å; I435-Y439 HydrophobicContact CG2-CE1 4.48Å; I435-Y439 HydrophobicContact CG2-CE2 3.25Å; I435-Y439 HydrophobicContact CG2-CG 4.42Å; I435-Y439 PolarHBondContact O-N 3.29Å
436	N	90.4	Very high	83.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-39.9	179.1	-62.2	-9.5	0	0	0	111.4	F92 T95 L428 S429 N432 Y433 Y438 Y439 S440	F92-N436 HydrophobicContact CD2-CB 3.9Å; F92-N436 HydrophobicContact CE2-CB 4.38Å; T95-N436 PolarHBondContact OG1-ND2 3.41Å; L428-N436 WeakPolarHBondContact CA-OD1 3.41Å; L428-N436 HydrophobicContact CD2-CB 3.99Å; S429-N436 PolarHBondContact N-OD1 3.28Å; S429-N436 PolarHBondContact O-ND2 3.39Å; N432-N436 PolarHBondContact O-N 3.16Å; N432-N436 PolarHBondContact O-ND2 3.47Å; N432-N436 PolarHBondContact O-OD1 2.74Å; Y433-N436 PolarHBondContact O-N 2.86Å; Y433-N436 VanDerWaalsContact O-N 3.14Å; N436-Y438 VanDerWaalsContact C-N 3.34Å; N436-Y439 PolarHBondContact O-N 2.86Å; N436-S440 PolarHBondContact O-N 3.11Å; N436-S440 PolarHBondContact O-OG 2.56Å
437	A	89.7	Confident	82.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.7	-35	175.1	0	0	0	0	0	112.7	F92 Y318 Y433 F434 I435 S440 Q441	F92-A437 HydrophobicContact CE2-CB 4.04Å; F92-A437 HydrophobicContact CZ-CB 4.48Å; Y318-A437 HydrophobicContact CD1-CB 4.39Å; Y318-A437 HydrophobicContact CE1-CB 4.12Å; Y433-A437 WeakPolarHBondContact O-CB 3.47Å; Y433-A437 PolarHBondContact O-N 3.29Å; F434-A437 PolarHBondContact O-N 3.1Å; I435-A437 VanDerWaalsContact C-N 3.31Å; I435-A437 PolarHBondContact O-N 2.91Å; A437-S440 WeakPolarHBondContact CA-OG 3.39Å; A437-S440 PolarHBondContact O-OG 3.02Å; A437-Q441 WeakPolarHBondContact O-CG 3.45Å; A437-Q441 PolarHBondContact O-N 2.82Å; A437-Q441 PolarHBondContact O-NE2 2.92Å
438	Y	91.2	Very high	82.1	Confident	8 Å²	8	29.4 Å²	29.4	3%	0.031	15%	0.147	C	C	.	.	H	α-helix	trans	-68.8	-43.4	172.1	167	-101.5	0	0	0	111.8	L118 P152 F155 F311 F434 I435 N436 S440 Q441 K442	L118-Y438 HydrophobicContact CD1-CD1 4.13Å; L118-Y438 HydrophobicContact CD1-CD2 3.91Å; L118-Y438 HydrophobicContact CD1-CE1 4.14Å; L118-Y438 HydrophobicContact CD1-CE2 3.91Å; L118-Y438 HydrophobicContact CD1-CG 4Å; L118-Y438 HydrophobicContact CD2-CD1 3.88Å; L118-Y438 HydrophobicContact CD2-CE1 3.36Å; L118-Y438 HydrophobicContact CD2-CE2 4.4Å; L118-Y438 HydrophobicContact CG-CE1 4.4Å; P152-Y438 WeakPolarHBondContact CA-OH 3.34Å; P152-Y438 HydrophobicContact CB-CE2 4.4Å; P152-Y438 WeakPolarHBondContact O-CE2 3.39Å; F155-Y438 HydrophobicContact CB-CE2 4.34Å; F155-Y438 WeakPolarHBondContact CD2-OH 3.14Å; F311-Y438 AromaticContact CE2-CD2 3.89Å; F311-Y438 HydrophobicContact CE2-CD2 3.89Å; F311-Y438 HydrophobicContact CE2-CE2 4.04Å; F311-Y438 HydrophobicContact CZ-CD2 4.03Å; F434-Y438 WeakPolarHBondContact O-CB 3.29Å; F434-Y438 PolarHBondContact O-N 3.35Å; I435-Y438 WeakPolarHBondContact O-CB 3.21Å; I435-Y438 PolarHBondContact O-N 2.85Å; I435-Y438 VanDerWaalsContact O-N 3.16Å; N436-Y438 VanDerWaalsContact C-N 3.34Å; Y438-S440 VanDerWaalsContact C-N 3.34Å; Y438-S440 PolarHBondContact O-N 3.32Å; Y438-Q441 PolarHBondContact O-N 3.14Å; Y438-K442 HydrophobicContact CE1-CD 4.47Å; Y438-K442 WeakPolarHBondContact O-CB 3.43Å; Y438-K442 PolarHBondContact O-N 3.31Å
439	Y	89.4	Confident	80.9	Confident	44 Å²	44	29.7 Å²	29.7	17%	0.173	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-33.9	178.1	-69.6	-28.1	0	0	0	113.2	N426 L428 I435 N436 K442 A443	N426-Y439 HydrophobicContact CB-CD1 3.95Å; N426-Y439 HydrophobicContact CB-CD2 3.44Å; N426-Y439 VanDerWaalsContact CB-CD2 3.44Å; N426-Y439 HydrophobicContact CB-CE1 4.16Å; N426-Y439 HydrophobicContact CB-CE2 3.66Å; N426-Y439 HydrophobicContact CB-CG 3.6Å; L428-Y439 HydrophobicContact CD2-CD2 4.47Å; I435-Y439 HydrophobicContact CG2-CD2 3.66Å; I435-Y439 HydrophobicContact CG2-CE1 4.48Å; I435-Y439 HydrophobicContact CG2-CE2 3.25Å; I435-Y439 HydrophobicContact CG2-CG 4.42Å; I435-Y439 PolarHBondContact O-N 3.29Å; N436-Y439 PolarHBondContact O-N 2.86Å; Y439-K442 PolarHBondContact O-N 3.45Å; Y439-A443 WeakPolarHBondContact O-CB 3.35Å; Y439-A443 PolarHBondContact O-N 3.04Å
440	S	84.5	Confident	79.7	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-42.5	171.9	62.1	0	0	0	0	112.2	N345 N436 A437 Y438 K442 A443 R444	N345-S440 WeakPolarHBondContact OD1-CB 3.17Å; N345-S440 PolarHBondContact OD1-OG 2.78Å; N436-S440 PolarHBondContact O-N 3.11Å; N436-S440 PolarHBondContact O-OG 2.56Å; A437-S440 WeakPolarHBondContact CA-OG 3.39Å; A437-S440 PolarHBondContact O-OG 3.02Å; Y438-S440 VanDerWaalsContact C-N 3.34Å; Y438-S440 PolarHBondContact O-N 3.32Å; S440-K442 PolarHBondContact O-N 3.11Å; S440-A443 PolarHBondContact O-N 3.43Å; S440-R444 PolarHBondContact O-N 3.26Å
441	Q	83.6	Confident	78.6	Confident	21 Å²	21	31.4 Å²	31.4	10%	0.098	16%	0.16	C	C	.	.	H	α-helix	trans	-59.7	-45.5	172.7	-75	167.9	90.2	0	0	111.4	F155 A437 Y438 A443 R444 T445	F155-Q441 CarbonylContact O-C 3.59Å; A437-Q441 WeakPolarHBondContact O-CG 3.45Å; A437-Q441 PolarHBondContact O-N 2.82Å; A437-Q441 PolarHBondContact O-NE2 2.92Å; Y438-Q441 PolarHBondContact O-N 3.14Å; Q441-A443 VanDerWaalsContact C-N 3.34Å; Q441-A443 PolarHBondContact O-N 3.09Å; Q441-R444 PolarHBondContact O-N 3.42Å; Q441-T445 WeakPolarHBondContact O-CG2 3.24Å; Q441-T445 PolarHBondContact O-N 2.71Å; Q441-T445 PolarHBondContact O-OG1 2.64Å
442	K	86	Confident	77.6	Confident	31 Å²	31	29 Å²	29	14%	0.135	15%	0.147	C	C	.	.	H	α-helix	trans	-58.8	-41.4	175.7	177.7	178.3	175	-166.4	0	113	F155 Y438 Y439 S440 T445 K446	F155-K442 HydrophobicContact CB-CB 4.06Å; F155-K442 HydrophobicContact CB-CD 4.37Å; F155-K442 HydrophobicContact CB-CG 3.89Å; F155-K442 HydrophobicContact CD1-CG 4.31Å; F155-K442 HydrophobicContact CD2-CD 4.11Å; F155-K442 HydrophobicContact CD2-CG 4.41Å; F155-K442 HydrophobicContact CG-CD 4.18Å; F155-K442 HydrophobicContact CG-CG 3.97Å; F155-K442 VanDerWaalsContact O-CA 3.26Å; F155-K442 WeakPolarHBondContact O-CA 3.09Å; F155-K442 PolarHBondContact O-N 3.02Å; Y438-K442 HydrophobicContact CE1-CD 4.47Å; Y438-K442 WeakPolarHBondContact O-CB 3.43Å; Y438-K442 PolarHBondContact O-N 3.31Å; Y439-K442 PolarHBondContact O-N 3.45Å; S440-K442 PolarHBondContact O-N 3.11Å; K442-T445 PolarHBondContact O-OG1 2.94Å; K442-T445 VanDerWaalsContact O-OG1 3.04Å; K442-K446 WeakPolarHBondContact O-CG 3.43Å; K442-K446 PolarHBondContact O-N 3.2Å
443	A	80.8	Confident	76.2	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-66.7	-44.1	178.8	0	0	0	0	0	111.6	I422 I423 Y439 S440 Q441 K446 T447	I422-A443 HydrophobicContact CB-CB 4.41Å; I422-A443 HydrophobicContact CG2-CB 3.88Å; I423-A443 HydrophobicContact CB-CB 4.19Å; I423-A443 HydrophobicContact CG1-CB 3.38Å; Y439-A443 WeakPolarHBondContact O-CB 3.35Å; Y439-A443 PolarHBondContact O-N 3.04Å; S440-A443 PolarHBondContact O-N 3.43Å; Q441-A443 VanDerWaalsContact C-N 3.34Å; Q441-A443 PolarHBondContact O-N 3.09Å; A443-K446 PolarHBondContact O-N 3.04Å; A443-T447 WeakPolarHBondContact O-CG2 3.44Å; A443-T447 PolarHBondContact O-N 3.14Å; A443-T447 VanDerWaalsContact O-N 3.12Å; A443-T447 PolarHBondContact O-OG1 3.04Å
444	R	76.6	Confident	74.8	Confident	65 Å²	65	34 Å²	34	25%	0.245	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-42.2	176.7	179.1	-173.5	166.1	178	-7.2	113	E344 S440 Q441 K446 T447 S448 Q460	E344-R444 IonicContact OE1-NH1 3.59Å; E344-R444 PolarHBondContact OE1-NH1 2.84Å; S440-R444 PolarHBondContact O-N 3.26Å; Q441-R444 PolarHBondContact O-N 3.42Å; R444-K446 VanDerWaalsContact C-N 3.25Å; R444-K446 PolarHBondContact O-N 3.44Å; R444-T447 WeakPolarHBondContact CA-OG1 3.2Å; R444-T447 PolarHBondContact O-N 2.91Å; R444-T447 PolarHBondContact O-OG1 3.44Å; R444-S448 PolarHBondContact O-N 3.16Å; R444-S448 PolarHBondContact O-OG 3.05Å; R444-Q460 VanDerWaalsContact NE-OE1 3.12Å
445	T	77.8	Confident	73.6	Confident	14 Å²	14	36 Å²	36	9%	0.086	18%	0.184	C	C	.	.	H	α-helix	trans	-68.6	-26.4	179.2	54.8	0	0	0	0	112.7	F155 Q156 R158 Q441 K442 S448	F155-T445 WeakPolarHBondContact O-CB 3.47Å; F155-T445 WeakPolarHBondContact O-CG2 3.24Å; F155-T445 PolarHBondContact O-OG1 3.36Å; Q156-T445 VanDerWaalsContact O-CG2 3.3Å; Q156-T445 WeakPolarHBondContact O-CG2 3.48Å; R158-T445 PolarHBondContact NE-O 3.41Å; R158-T445 VanDerWaalsContact NE-O 3.16Å; R158-T445 PolarHBondContact NH2-O 2.91Å; Q441-T445 WeakPolarHBondContact O-CG2 3.24Å; Q441-T445 PolarHBondContact O-N 2.71Å; Q441-T445 PolarHBondContact O-OG1 2.64Å; K442-T445 PolarHBondContact O-OG1 2.94Å; K442-T445 VanDerWaalsContact O-OG1 3.04Å; T445-S448 PolarHBondContact O-OG 2.98Å
446	K	76.1	Confident	72.5	Confident	32 Å²	32	35.1 Å²	35.1	14%	0.139	18%	0.179	C	C	.	.	H	α-helix	trans	-78	-32	173.5	-77.5	-179.2	163.2	-163.1	0	113.4	I422 E425 K442 A443 R444 S449	I422-K446 HydrophobicContact CD1-CB 4.01Å; I422-K446 HydrophobicContact CG2-CB 4.09Å; I422-K446 HydrophobicContact CG2-CD 3.61Å; I422-K446 HydrophobicContact CG2-CG 4.49Å; E425-K446 IonicContact OE1-NZ 3.86Å; E425-K446 IonicContact OE2-NZ 3.11Å; E425-K446 PolarHBondContact OE2-NZ 2.78Å; K442-K446 WeakPolarHBondContact O-CG 3.43Å; K442-K446 PolarHBondContact O-N 3.2Å; A443-K446 PolarHBondContact O-N 3.04Å; R444-K446 VanDerWaalsContact C-N 3.25Å; R444-K446 PolarHBondContact O-N 3.44Å; K446-S449 PolarHBondContact O-OG 3.39Å
447	T	67.5	Low	71.3	Confident	14 Å²	14	37.3 Å²	37.3	9%	0.086	19%	0.191	C	C	.	.	H	α-helix	trans	-78.6	-26	-177.9	51.2	0	0	0	0	113.6	E419 I422 A443 R444 S449	E419-T447 HydrophobicContact CB-CG2 3.71Å; E419-T447 HydrophobicContact CG-CG2 3.89Å; I422-T447 HydrophobicContact CD1-CG2 3.77Å; A443-T447 WeakPolarHBondContact O-CG2 3.44Å; A443-T447 PolarHBondContact O-N 3.14Å; A443-T447 VanDerWaalsContact O-N 3.12Å; A443-T447 PolarHBondContact O-OG1 3.04Å; R444-T447 WeakPolarHBondContact CA-OG1 3.2Å; R444-T447 PolarHBondContact O-N 2.91Å; R444-T447 PolarHBondContact O-OG1 3.44Å; T447-S449 PolarHBondContact O-N 3.26Å
448	S	59.4	Low	70.2	Confident	15 Å²	15	39.6 Å²	39.6	11%	0.105	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	34.1	-179.5	39.5	0	0	0	0	114	R158 R444 T445 S453	R158-S448 PolarHBondContact NH1-O 3.26Å; R158-S448 PolarHBondContact NH2-O 2.91Å; R158-S448 PolarHBondContact NH2-OG 3.07Å; R444-S448 PolarHBondContact O-N 3.16Å; R444-S448 PolarHBondContact O-OG 3.05Å; T445-S448 PolarHBondContact O-OG 2.98Å; S448-S453 WeakPolarHBondContact CA-OG 3.32Å; S448-S453 WeakPolarHBondContact CB-OG 3.45Å; S448-S453 WeakPolarHBondContact O-CB 3.45Å; S448-S453 PolarHBondContact O-OG 3.44Å
449	S	56.4	Low	69.3	Low	42 Å²	42	39.2 Å²	39.2	29%	0.294	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	0.3	-173.2	71.2	0	0	0	0	115.1	L167 K446 T447	L167-S449 WeakPolarHBondContact CD2-O 3.29Å; K446-S449 PolarHBondContact O-OG 3.39Å; T447-S449 PolarHBondContact O-N 3.26Å
450	S	53.3	Low	68.3	Low	50 Å²	50	37.7 Å²	37.7	35%	0.35	20%	0.196	S	C	.	.	S	Bend	trans	-92.3	162.7	171.5	49.3	0	0	0	0	110.9	D452 S453	S450-D452 PolarHBondContact O-N 2.63Å; S450-D452 VanDerWaalsContact O-N 3.16Å; S450-S453 WeakPolarHBondContact O-CA 3.35Å; S450-S453 WeakPolarHBondContact O-CB 3.46Å; S450-S453 PolarHBondContact O-N 2.72Å
451	E	49.2	Very low	67.2	Low	155 Å²	155	43.3 Å²	43.3	72%	0.724	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.1	167.2	-72.1	-179.7	160.1	0	0	111.6	S453	E451-S453 PolarHBondContact O-N 2.96Å
452	D	55.6	Low	66.4	Low	74 Å²	74	44.3 Å²	44.3	40%	0.396	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16	170.8	-62.2	-45.6	0	0	0	113.8	V416 S450 M454 L455 L456	V416-D452 HydrophobicContact CG1-CB 3.57Å; S450-D452 PolarHBondContact O-N 2.63Å; S450-D452 VanDerWaalsContact O-N 3.16Å; D452-M454 PolarHBondContact O-N 3.16Å; D452-L455 PolarHBondContact O-N 3.22Å; D452-L456 VanDerWaalsContact O-CB 3.29Å; D452-L456 WeakPolarHBondContact O-CB 3.42Å; D452-L456 PolarHBondContact O-N 2.77Å
453	S	57	Low	65.3	Low	13 Å²	13	43.6 Å²	43.6	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-58.6	-42.2	-177	-177.6	0	0	0	0	112.9	S448 S450 E451 L455 L456 D457	S448-S453 WeakPolarHBondContact CA-OG 3.32Å; S448-S453 WeakPolarHBondContact CB-OG 3.45Å; S448-S453 WeakPolarHBondContact O-CB 3.45Å; S448-S453 PolarHBondContact O-OG 3.44Å; S450-S453 WeakPolarHBondContact O-CA 3.35Å; S450-S453 WeakPolarHBondContact O-CB 3.46Å; S450-S453 PolarHBondContact O-N 2.72Å; E451-S453 PolarHBondContact O-N 2.96Å; S453-L455 VanDerWaalsContact C-N 3.34Å; S453-L455 PolarHBondContact O-N 2.81Å; S453-L456 WeakPolarHBondContact O-CB 3.41Å; S453-L456 PolarHBondContact O-N 3.46Å; S453-D457 VanDerWaalsContact O-CB 3.29Å; S453-D457 WeakPolarHBondContact O-CB 3.45Å; S453-D457 PolarHBondContact O-N 2.88Å; S453-D457 VanDerWaalsContact O-OD2 3.08Å; S453-D457 PolarHBondContact OG-OD2 3.32Å
454	M	61.6	Low	64.5	Low	109 Å²	109	46.2 Å²	46.2	54%	0.537	25%	0.246	S	C	.	.	H	α-helix	trans	-66.4	-42.1	-177.4	-178.2	175.4	172.4	0	0	110.6	D452 L456 L458	D452-M454 PolarHBondContact O-N 3.16Å; M454-L456 VanDerWaalsContact C-N 3.32Å; M454-L458 HydrophobicContact CE-CD1 4.23Å; M454-L458 HydrophobicContact CG-CD1 4.18Å; M454-L458 WeakPolarHBondContact O-CB 3.5Å; M454-L458 WeakPolarHBondContact O-CD1 3.35Å; M454-L458 WeakPolarHBondContact O-CG 3.31Å; M454-L458 PolarHBondContact O-N 3.21Å
455	L	67.7	Low	64	Low	44 Å²	44	46 Å²	46	23%	0.23	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-45.8	172.8	177.7	59	0	0	0	109.9	L406 F412 D452 S453 L458 L459 I470	L406-L455 HydrophobicContact CD2-CD1 4.26Å; L406-L455 HydrophobicContact CD2-CD2 4.08Å; F412-L455 HydrophobicContact CZ-CD2 3.94Å; D452-L455 PolarHBondContact O-N 3.22Å; S453-L455 VanDerWaalsContact C-N 3.34Å; S453-L455 PolarHBondContact O-N 2.81Å; L455-L458 WeakPolarHBondContact O-CB 3.3Å; L455-L458 PolarHBondContact O-N 3.18Å; L455-L459 HydrophobicContact CD1-CD2 4.32Å; L455-L459 HydrophobicContact CD1-CG 4.15Å; L455-L459 HydrophobicContact CG-CD1 4.26Å; L455-L459 HydrophobicContact CG-CG 4.31Å; L455-L459 WeakPolarHBondContact O-CB 3.38Å; L455-L459 VanDerWaalsContact O-CG 3.24Å; L455-L459 WeakPolarHBondContact O-CG 3.44Å; L455-L459 PolarHBondContact O-N 2.95Å; L455-I470 HydrophobicContact CD1-CD1 3.26Å
456	L	68.3	Low	63.7	Low	3 Å²	3	45.4 Å²	45.4	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-47.4	-178.5	-159.9	77.9	0	0	0	113.1	W347 V416 N417 D452 S453 M454 L458 L459 Q460	W347-L456 HydrophobicContact CH2-CD1 3.27Å; W347-L456 HydrophobicContact CH2-CG 3.78Å; W347-L456 HydrophobicContact CZ2-CD1 3.32Å; W347-L456 HydrophobicContact CZ2-CD2 3.97Å; W347-L456 HydrophobicContact CZ2-CG 3.36Å; V416-L456 HydrophobicContact CG1-CD1 4.33Å; N417-L456 HydrophobicContact CB-CD1 3.98Å; N417-L456 HydrophobicContact CB-CD2 4.22Å; D452-L456 VanDerWaalsContact O-CB 3.29Å; D452-L456 WeakPolarHBondContact O-CB 3.42Å; D452-L456 PolarHBondContact O-N 2.77Å; S453-L456 WeakPolarHBondContact O-CB 3.41Å; S453-L456 PolarHBondContact O-N 3.46Å; M454-L456 VanDerWaalsContact C-N 3.32Å; L456-L458 VanDerWaalsContact C-N 3.3Å; L456-L458 PolarHBondContact O-N 2.77Å; L456-L459 PolarHBondContact O-N 3.18Å; L456-Q460 WeakPolarHBondContact O-CB 3.39Å; L456-Q460 PolarHBondContact O-N 3.11Å
457	D	65.6	Low	63.7	Low	46 Å²	46	43.9 Å²	43.9	25%	0.246	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-40.7	176.2	-70.2	-37.8	0	0	0	110.2	S453 Q460 L461	S453-D457 VanDerWaalsContact O-CB 3.29Å; S453-D457 WeakPolarHBondContact O-CB 3.45Å; S453-D457 PolarHBondContact O-N 2.88Å; S453-D457 VanDerWaalsContact O-OD2 3.08Å; S453-D457 PolarHBondContact OG-OD2 3.32Å; D457-Q460 PolarHBondContact O-N 3.35Å; D457-L461 WeakPolarHBondContact O-CB 3.26Å; D457-L461 WeakPolarHBondContact O-CG 3.43Å; D457-L461 PolarHBondContact O-N 3.32Å
458	L	66.6	Low	64.2	Low	48 Å²	48	43.8 Å²	43.8	25%	0.251	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-45.7	174	-75	170.2	0	0	0	112.3	M454 L455 L456 Q460 L461 L462 I470	M454-L458 HydrophobicContact CE-CD1 4.23Å; M454-L458 HydrophobicContact CG-CD1 4.18Å; M454-L458 WeakPolarHBondContact O-CB 3.5Å; M454-L458 WeakPolarHBondContact O-CD1 3.35Å; M454-L458 WeakPolarHBondContact O-CG 3.31Å; M454-L458 PolarHBondContact O-N 3.21Å; L455-L458 WeakPolarHBondContact O-CB 3.3Å; L455-L458 PolarHBondContact O-N 3.18Å; L456-L458 VanDerWaalsContact C-N 3.3Å; L456-L458 PolarHBondContact O-N 2.77Å; L458-Q460 VanDerWaalsContact C-N 3.26Å; L458-Q460 PolarHBondContact O-N 3.4Å; L458-L461 PolarHBondContact O-N 2.8Å; L458-L462 WeakPolarHBondContact O-CB 3.16Å; L458-L462 WeakPolarHBondContact O-CG 3.42Å; L458-L462 PolarHBondContact O-N 2.93Å; L458-I470 HydrophobicContact CD1-CG2 4.17Å
459	L	72.5	Confident	65.1	Low	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-41.8	175.8	-70.3	-178	0	0	0	110.7	W347 V408 F412 L455 L456 L462 L463 F468 V476	W347-L459 HydrophobicContact CH2-CB 4.5Å; W347-L459 HydrophobicContact CZ3-CB 4.33Å; V408-L459 HydrophobicContact CG2-CD1 4.08Å; V408-L459 HydrophobicContact CG2-CD2 3.88Å; F412-L459 HydrophobicContact CE1-CD1 3.81Å; F412-L459 HydrophobicContact CZ-CD1 4.41Å; L455-L459 HydrophobicContact CD1-CD2 4.32Å; L455-L459 HydrophobicContact CD1-CG 4.15Å; L455-L459 HydrophobicContact CG-CD1 4.26Å; L455-L459 HydrophobicContact CG-CG 4.31Å; L455-L459 WeakPolarHBondContact O-CB 3.38Å; L455-L459 VanDerWaalsContact O-CG 3.24Å; L455-L459 WeakPolarHBondContact O-CG 3.44Å; L455-L459 PolarHBondContact O-N 2.95Å; L456-L459 PolarHBondContact O-N 3.18Å; L459-L462 CarbonylContact O-C 3.56Å; L459-L462 PolarHBondContact O-N 3.42Å; L459-L463 WeakPolarHBondContact O-CD2 3.09Å; L459-L463 WeakPolarHBondContact O-CG 3.43Å; L459-L463 PolarHBondContact O-N 2.95Å; L459-F468 HydrophobicContact CD2-CE1 4.48Å; L459-F468 HydrophobicContact CD2-CZ 3.7Å; L459-V476 HydrophobicContact CD2-CG1 3.53Å; L459-V476 HydrophobicContact CD2-CG2 4.33Å
460	Q	67.8	Low	65.9	Low	13 Å²	13	44.1 Å²	44.1	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-66.4	-41.3	176.6	-176.9	180	24.7	0	0	112.5	E344 W347 R444 L456 D457 L458 L462 L463	E344-Q460 PolarHBondContact O-NE2 3.23Å; W347-Q460 HydrophobicContact CB-CG 4.2Å; W347-Q460 HydrophobicContact CD2-CB 3.95Å; W347-Q460 HydrophobicContact CD2-CG 4.11Å; W347-Q460 HydrophobicContact CG-CB 4.05Å; W347-Q460 HydrophobicContact CG-CG 3.65Å; R444-Q460 VanDerWaalsContact NE-OE1 3.12Å; L456-Q460 WeakPolarHBondContact O-CB 3.39Å; L456-Q460 PolarHBondContact O-N 3.11Å; D457-Q460 PolarHBondContact O-N 3.35Å; L458-Q460 VanDerWaalsContact C-N 3.26Å; L458-Q460 PolarHBondContact O-N 3.4Å; Q460-L462 PolarHBondContact O-N 3.34Å; Q460-L463 HydrophobicContact CG-CD1 4.19Å; Q460-L463 WeakPolarHBondContact O-CD1 3.46Å; Q460-L463 WeakPolarHBondContact O-CG 3.49Å
461	L	61	Low	66.8	Low	119 Å²	119	47.1 Å²	47.1	62%	0.623	25%	0.245	S	C	*	.	H	α-helix	trans	-66.8	-29.4	177	-73	168.1	0	0	0	112.1	D457 L458	D457-L461 WeakPolarHBondContact O-CB 3.26Å; D457-L461 WeakPolarHBondContact O-CG 3.43Å; D457-L461 PolarHBondContact O-N 3.32Å; L458-L461 PolarHBondContact O-N 2.8Å
462	L	66.7	Low	67.8	Low	43 Å²	43	42.5 Å²	42.5	23%	0.225	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	16.5	-173.4	-61.6	171.7	0	0	0	113.4	L458 L459 Q460 S464 Y465 F468	L458-L462 WeakPolarHBondContact O-CB 3.16Å; L458-L462 WeakPolarHBondContact O-CG 3.42Å; L458-L462 PolarHBondContact O-N 2.93Å; L459-L462 CarbonylContact O-C 3.56Å; L459-L462 PolarHBondContact O-N 3.42Å; Q460-L462 PolarHBondContact O-N 3.34Å; L462-S464 PolarHBondContact O-N 3.04Å; L462-S464 VanDerWaalsContact O-N 3.08Å; L462-Y465 HydrophobicContact CB-CD2 4.18Å; L462-Y465 HydrophobicContact CD2-CD2 3.83Å; L462-Y465 HydrophobicContact CD2-CE2 3.9Å; L462-Y465 HydrophobicContact CD2-CG 4.34Å; L462-Y465 WeakPolarHBondContact O-CA 2.95Å; L462-Y465 VanDerWaalsContact O-CB 3.23Å; L462-Y465 WeakPolarHBondContact O-CB 2.95Å; L462-Y465 PolarHBondContact O-N 3.12Å; L462-F468 HydrophobicContact CB-CD1 3.89Å; L462-F468 HydrophobicContact CB-CD2 4.47Å; L462-F468 HydrophobicContact CB-CE1 3.55Å; L462-F468 HydrophobicContact CB-CE2 4.15Å; L462-F468 HydrophobicContact CB-CG 4.32Å; L462-F468 HydrophobicContact CB-CZ 3.66Å; L462-F468 HydrophobicContact CD1-CD1 4.26Å; L462-F468 HydrophobicContact CD1-CD2 3.36Å; L462-F468 HydrophobicContact CD1-CE1 4.2Å; L462-F468 HydrophobicContact CD1-CE2 3.26Å; L462-F468 HydrophobicContact CD1-CG 3.84Å; L462-F468 HydrophobicContact CD1-CZ 3.7Å; L462-F468 HydrophobicContact CG-CD2 4.49Å; L462-F468 HydrophobicContact CG-CE2 4.32Å; L462-F468 HydrophobicContact CG-CZ 4.31Å
463	L	64.7	Low	69.1	Low	16 Å²	16	47.4 Å²	47.4	8%	0.084	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.6	-179.8	-68.6	167.5	0	0	0	115.6	W347 N351 L459 Q460 Y465 F478	W347-L463 HydrophobicContact CB-CD1 3.3Å; W347-L463 HydrophobicContact CB-CD2 4.24Å; W347-L463 HydrophobicContact CB-CG 4.34Å; W347-L463 HydrophobicContact CD2-CD2 4.47Å; W347-L463 HydrophobicContact CE3-CD2 3.76Å; W347-L463 HydrophobicContact CG-CD1 4.12Å; N351-L463 VanDerWaalsContact ND2-CD2 3.3Å; N351-L463 WeakPolarHBondContact ND2-CD2 3.42Å; L459-L463 WeakPolarHBondContact O-CD2 3.09Å; L459-L463 WeakPolarHBondContact O-CG 3.43Å; L459-L463 PolarHBondContact O-N 2.95Å; Q460-L463 HydrophobicContact CG-CD1 4.19Å; Q460-L463 WeakPolarHBondContact O-CD1 3.46Å; Q460-L463 WeakPolarHBondContact O-CG 3.49Å; L463-Y465 PolarHBondContact O-N 2.98Å; L463-F478 HydrophobicContact CD2-CE1 4.22Å; L463-F478 HydrophobicContact CD2-CZ 4.08Å
464	S	62.5	Low	70.5	Confident	55 Å²	55	48.2 Å²	48.2	39%	0.385	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.3	178.7	-55.7	0	0	0	0	110.7	L462 G610	L462-S464 PolarHBondContact O-N 3.04Å; L462-S464 VanDerWaalsContact O-N 3.08Å; S464-G610 CarbonylContact O-C 3.5Å; S464-G610 WeakPolarHBondContact O-CA 3.24Å; S464-G610 VanDerWaalsContact O-O 3.05Å
465	Y	67.5	Low	71.9	Confident	61 Å²	61	43 Å²	43	24%	0.239	21%	0.214	C	C	.	.			trans	-85.7	125.7	-176.3	-64.5	-110	0	0	0	109.8	L462 L463 I467 F478 I607 D608	L462-Y465 HydrophobicContact CB-CD2 4.18Å; L462-Y465 HydrophobicContact CD2-CD2 3.83Å; L462-Y465 HydrophobicContact CD2-CE2 3.9Å; L462-Y465 HydrophobicContact CD2-CG 4.34Å; L462-Y465 WeakPolarHBondContact O-CA 2.95Å; L462-Y465 VanDerWaalsContact O-CB 3.23Å; L462-Y465 WeakPolarHBondContact O-CB 2.95Å; L462-Y465 PolarHBondContact O-N 3.12Å; L463-Y465 PolarHBondContact O-N 2.98Å; Y465-I467 VanDerWaalsContact C-N 3.31Å; Y465-I467 PolarHBondContact O-N 3.31Å; Y465-F478 WeakPolarHBondContact O-CD2 2.99Å; Y465-F478 VanDerWaalsContact O-CE2 3.24Å; Y465-F478 WeakPolarHBondContact O-CE2 3.5Å; Y465-I607 WeakPolarHBondContact CD1-O 3.35Å; Y465-D608 WeakPolarHBondContact CE1-O 3.37Å; Y465-D608 VanDerWaalsContact CZ-O 3.29Å; Y465-D608 PolarHBondContact OH-O 3.24Å
466	P	70	Confident	72.8	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	20%	0.203	C	C	.	.	S	Bend	trans	-62.8	-41.1	174.2	21.3	-29.3	0	0	0	112	F478 W480 I481 L602 I607	P466-F478 PolarHBondContact O-N 3.49Å; P466-W480 HydrophobicContact CB-CH2 3.58Å; P466-W480 HydrophobicContact CB-CZ2 3.89Å; P466-W480 HydrophobicContact CB-CZ3 4.4Å; P466-I481 HydrophobicContact CB-CD1 3.87Å; P466-L602 HydrophobicContact CB-CD1 4.19Å; P466-L602 HydrophobicContact CG-CD1 3.82Å; P466-I607 HydrophobicContact CG-CG1 4.3Å
467	I	76.9	Confident	73.9	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	137.2	-171.7	-65.6	166.1	0	0	0	109.1	Y465 V475 V476 I477 I481 I503 Q507	Y465-I467 VanDerWaalsContact C-N 3.31Å; Y465-I467 PolarHBondContact O-N 3.31Å; I467-V475 HydrophobicContact CG2-CG1 3.74Å; I467-V476 VanDerWaalsContact CA-O 3.22Å; I467-V476 WeakPolarHBondContact CA-O 3Å; I467-V476 WeakPolarHBondContact CG2-O 2.89Å; I467-I477 HydrophobicContact CD1-CD1 3.82Å; I467-I477 HydrophobicContact CD1-CG1 4.01Å; I467-I477 HydrophobicContact CG1-CB 4.03Å; I467-I477 HydrophobicContact CG1-CD1 4.15Å; I467-I477 HydrophobicContact CG1-CG1 3.77Å; I467-I481 HydrophobicContact CD1-CD1 4.33Å; I467-I481 HydrophobicContact CD1-CG2 4.46Å; I467-I503 HydrophobicContact CB-CG2 4.08Å; I467-I503 HydrophobicContact CD1-CB 4.13Å; I467-I503 HydrophobicContact CD1-CD1 4.04Å; I467-I503 HydrophobicContact CD1-CG2 3.33Å; I467-I503 HydrophobicContact CG1-CG2 4.25Å; I467-I503 HydrophobicContact CG2-CG2 3.97Å; I467-Q507 HydrophobicContact CG2-CG 3.78Å
468	F	77.6	Confident	74.8	Confident	12 Å²	12	38.6 Å²	38.6	5%	0.053	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	168.7	176.4	60.4	-89	0	0	0	111.6	L459 L462 I470 V475 V476 F478	L459-F468 HydrophobicContact CD2-CE1 4.48Å; L459-F468 HydrophobicContact CD2-CZ 3.7Å; L462-F468 HydrophobicContact CB-CD1 3.89Å; L462-F468 HydrophobicContact CB-CD2 4.47Å; L462-F468 HydrophobicContact CB-CE1 3.55Å; L462-F468 HydrophobicContact CB-CE2 4.15Å; L462-F468 HydrophobicContact CB-CG 4.32Å; L462-F468 HydrophobicContact CB-CZ 3.66Å; L462-F468 HydrophobicContact CD1-CD1 4.26Å; L462-F468 HydrophobicContact CD1-CD2 3.36Å; L462-F468 HydrophobicContact CD1-CE1 4.2Å; L462-F468 HydrophobicContact CD1-CE2 3.26Å; L462-F468 HydrophobicContact CD1-CG 3.84Å; L462-F468 HydrophobicContact CD1-CZ 3.7Å; L462-F468 HydrophobicContact CG-CD2 4.49Å; L462-F468 HydrophobicContact CG-CE2 4.32Å; L462-F468 HydrophobicContact CG-CZ 4.31Å; F468-I470 HydrophobicContact CD2-CG1 3.93Å; F468-I470 HydrophobicContact CE2-CD1 3.77Å; F468-I470 HydrophobicContact CE2-CG1 3.54Å; F468-V475 CarbonylContact O-C 3.6Å; F468-V475 WeakPolarHBondContact O-CA 3.44Å; F468-V476 HydrophobicContact CD1-CB 4.24Å; F468-V476 HydrophobicContact CD2-CB 4.18Å; F468-V476 HydrophobicContact CD2-CG2 4.25Å; F468-V476 HydrophobicContact CE1-CB 3.92Å; F468-V476 HydrophobicContact CE1-CG1 3.81Å; F468-V476 HydrophobicContact CE2-CB 3.87Å; F468-V476 HydrophobicContact CE2-CG1 4.34Å; F468-V476 HydrophobicContact CE2-CG2 3.75Å; F468-V476 HydrophobicContact CG-CB 4.38Å; F468-V476 HydrophobicContact CZ-CB 3.76Å; F468-V476 HydrophobicContact CZ-CG1 3.74Å; F468-V476 HydrophobicContact CZ-CG2 3.99Å; F468-V476 PolarHBondContact N-O 2.95Å; F468-V476 VanDerWaalsContact N-O 3.15Å; F468-V476 PolarHBondContact O-N 3.08Å; F468-F478 AromaticContact CE1-CE2 3.79Å; F468-F478 HydrophobicContact CE1-CE2 3.79Å; F468-F478 HydrophobicContact CE1-CZ 4.27Å
469	T	78.2	Confident	75.9	Confident	41 Å²	41	36.3 Å²	36.3	25%	0.252	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.4	178.8	-57.7	0	0	0	0	111.3	I403 S474 Q507 A511	I403-T469 HydrophobicContact CD1-CG2 4.44Å; T469-S474 CarbonylContact C-O 3.59Å; T469-S474 WeakPolarHBondContact CA-O 3.08Å; T469-Q507 PolarHBondContact OG1-OE1 2.9Å; T469-A511 HydrophobicContact CG2-CB 4.18Å
470	I	74.6	Confident	76.3	Confident	22 Å²	22	37.3 Å²	37.3	11%	0.113	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.8	172.5	-58.1	176.9	0	0	0	109.4	L455 L458 F468 R472 R473 S474 V476	L455-I470 HydrophobicContact CD1-CD1 3.26Å; L458-I470 HydrophobicContact CD1-CG2 4.17Å; F468-I470 HydrophobicContact CD2-CG1 3.93Å; F468-I470 HydrophobicContact CE2-CD1 3.77Å; F468-I470 HydrophobicContact CE2-CG1 3.54Å; I470-R472 PolarHBondContact O-N 3.06Å; I470-R473 PolarHBondContact O-N 3.37Å; I470-S474 PolarHBondContact N-O 3.12Å; I470-S474 PolarHBondContact O-N 3.43Å; I470-V476 HydrophobicContact CD1-CG2 3.57Å; I470-V476 HydrophobicContact CG1-CG2 3.89Å
471	D	71.3	Confident	77.1	Confident	113 Å²	113	36.7 Å²	36.7	60%	0.604	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.3	26.6	171.1	-61.1	-26.2	0	0	0	115.5	R473	D471-R473 PolarHBondContact O-N 3.5Å; D471-R473 VanDerWaalsContact O-N 3.1Å
472	R	70.3	Confident	78.5	Confident	58 Å²	58	31.1 Å²	31.1	22%	0.219	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	16.6	-173.4	-50.4	176.1	-176.8	176.2	5.7	114.6	T399 I470 A511 N514 D515	T399-R472 HydrophobicContact CG2-CB 4.25Å; I470-R472 PolarHBondContact O-N 3.06Å; R472-A511 HydrophobicContact CB-CB 4.28Å; R472-A511 VanDerWaalsContact CD-O 3.28Å; R472-A511 WeakPolarHBondContact CD-O 3.5Å; R472-A511 HydrophobicContact CG-CB 4.43Å; R472-N514 PolarHBondContact NH2-O 3.2Å; R472-D515 IonicContact CZ-OD1 3.51Å; R472-D515 IonicContact NH1-OD1 2.63Å; R472-D515 PolarHBondContact NH1-OD1 2.92Å; R472-D515 IonicContact NH1-OD2 2.62Å; R472-D515 IonicContact NH2-OD1 3.54Å; R472-D515 PolarHBondContact NH2-OD1 2.83Å
473	R	82.4	Confident	79.4	Confident	177 Å²	177	31 Å²	31	67%	0.668	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-30.7	-177.8	-71.8	179	-178.6	177.3	1.3	113.1	I403 S404 I470 D471	I403-R473 CarbonylContact C-O 3.55Å; I403-R473 VanDerWaalsContact CA-O 3.31Å; I403-R473 WeakPolarHBondContact CA-O 3.34Å; S404-R473 PolarHBondContact N-O 3.47Å; S404-R473 PolarHBondContact OG-O 2.85Å; I470-R473 PolarHBondContact O-N 3.37Å; D471-R473 PolarHBondContact O-N 3.5Å; D471-R473 VanDerWaalsContact O-N 3.1Å
474	S	87.1	Confident	80.3	Confident	30 Å²	30	32.7 Å²	32.7	21%	0.21	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	122.8	-174.1	-57.8	0	0	0	0	111.2	S404 T469 I470	S404-S474 CarbonylContact O-C 3.57Å; S404-S474 WeakPolarHBondContact O-CA 3.43Å; S404-S474 PolarHBondContact OG-OG 3.23Å; T469-S474 CarbonylContact C-O 3.59Å; T469-S474 WeakPolarHBondContact CA-O 3.08Å; I470-S474 PolarHBondContact N-O 3.12Å; I470-S474 PolarHBondContact O-N 3.43Å
475	V	90.1	Very high	80.9	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	111.3	163.4	-179.7	0	0	0	0	107.3	F371 I403 S404 V405 L406 I467 F468 F504 Q507	F371-V475 HydrophobicContact CE2-CB 4.05Å; F371-V475 HydrophobicContact CE2-CG1 4.5Å; F371-V475 HydrophobicContact CE2-CG2 3.92Å; F371-V475 HydrophobicContact CZ-CB 4.09Å; F371-V475 HydrophobicContact CZ-CG2 3.76Å; I403-V475 HydrophobicContact CD1-CG2 3.68Å; I403-V475 HydrophobicContact CG1-CG2 4.12Å; S404-V475 PolarHBondContact O-N 2.89Å; V405-V475 CarbonylContact C-O 3.56Å; V405-V475 WeakPolarHBondContact CA-O 3.22Å; L406-V475 PolarHBondContact N-O 2.97Å; I467-V475 HydrophobicContact CG2-CG1 3.74Å; F468-V475 CarbonylContact O-C 3.6Å; F468-V475 WeakPolarHBondContact O-CA 3.44Å; V475-F504 HydrophobicContact CG1-CD1 4.33Å; V475-Q507 HydrophobicContact CG1-CB 3.94Å; V475-Q507 HydrophobicContact CG1-CG 3.98Å; V475-Q507 HydrophobicContact CG2-CB 3.79Å
476	V	87.9	Confident	81.6	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132	178.7	-177.5	0	0	0	0	109.2	L406 V408 L459 I467 F468 I470	L406-V476 HydrophobicContact CB-CG2 4.44Å; L406-V476 HydrophobicContact CD2-CG2 4.28Å; L406-V476 WeakPolarHBondContact O-CA 3.41Å; V408-V476 HydrophobicContact CG2-CG1 3.59Å; L459-V476 HydrophobicContact CD2-CG1 3.53Å; L459-V476 HydrophobicContact CD2-CG2 4.33Å; I467-V476 VanDerWaalsContact CA-O 3.22Å; I467-V476 WeakPolarHBondContact CA-O 3Å; I467-V476 WeakPolarHBondContact CG2-O 2.89Å; F468-V476 HydrophobicContact CD1-CB 4.24Å; F468-V476 HydrophobicContact CD2-CB 4.18Å; F468-V476 HydrophobicContact CD2-CG2 4.25Å; F468-V476 HydrophobicContact CE1-CB 3.92Å; F468-V476 HydrophobicContact CE1-CG1 3.81Å; F468-V476 HydrophobicContact CE2-CB 3.87Å; F468-V476 HydrophobicContact CE2-CG1 4.34Å; F468-V476 HydrophobicContact CE2-CG2 3.75Å; F468-V476 HydrophobicContact CG-CB 4.38Å; F468-V476 HydrophobicContact CZ-CB 3.76Å; F468-V476 HydrophobicContact CZ-CG1 3.74Å; F468-V476 HydrophobicContact CZ-CG2 3.99Å; F468-V476 PolarHBondContact N-O 2.95Å; F468-V476 VanDerWaalsContact N-O 3.15Å; F468-V476 PolarHBondContact O-N 3.08Å; I470-V476 HydrophobicContact CD1-CG2 3.57Å; I470-V476 HydrophobicContact CG1-CG2 3.89Å
477	I	90.1	Very high	82.5	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.6	174.6	-178.5	167	0	0	0	109.8	V405 L406 M407 V408 I467 I481 L482 F500 F504	V405-I477 HydrophobicContact CG2-CG2 3.81Å; L406-I477 PolarHBondContact O-N 3.45Å; M407-I477 WeakPolarHBondContact CA-O 3.47Å; M407-I477 HydrophobicContact CB-CG2 4.24Å; M407-I477 HydrophobicContact CG-CG2 3.73Å; V408-I477 PolarHBondContact N-O 3.26Å; I467-I477 HydrophobicContact CD1-CD1 3.82Å; I467-I477 HydrophobicContact CD1-CG1 4.01Å; I467-I477 HydrophobicContact CG1-CB 4.03Å; I467-I477 HydrophobicContact CG1-CD1 4.15Å; I467-I477 HydrophobicContact CG1-CG1 3.77Å; I477-I481 HydrophobicContact CD1-CG2 3.63Å; I477-I481 HydrophobicContact CG1-CG2 3.53Å; I477-L482 HydrophobicContact CD1-CD1 4.33Å; I477-L482 HydrophobicContact CD1-CD2 3.67Å; I477-L482 HydrophobicContact CD1-CG 3.99Å; I477-L482 HydrophobicContact CG1-CG 4.41Å; I477-F500 HydrophobicContact CD1-CD1 4.06Å; I477-F500 HydrophobicContact CD1-CE1 3.72Å; I477-F504 HydrophobicContact CD1-CE1 3.96Å; I477-F504 HydrophobicContact CD1-CZ 3.91Å
478	F	85.6	Confident	83	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	138.2	175.3	-72.2	-79.6	0	0	0	111.9	V408 L463 Y465 P466 F468 W480 I481	V408-F478 HydrophobicContact CB-CD1 3.78Å; V408-F478 HydrophobicContact CB-CE1 4.11Å; V408-F478 HydrophobicContact CG1-CD1 3.77Å; V408-F478 HydrophobicContact CG1-CE1 3.83Å; V408-F478 HydrophobicContact CG2-CD1 4.44Å; V408-F478 HydrophobicContact CG2-CE1 4.42Å; L463-F478 HydrophobicContact CD2-CE1 4.22Å; L463-F478 HydrophobicContact CD2-CZ 4.08Å; Y465-F478 WeakPolarHBondContact O-CD2 2.99Å; Y465-F478 VanDerWaalsContact O-CE2 3.24Å; Y465-F478 WeakPolarHBondContact O-CE2 3.5Å; P466-F478 PolarHBondContact O-N 3.49Å; F468-F478 AromaticContact CE1-CE2 3.79Å; F468-F478 HydrophobicContact CE1-CE2 3.79Å; F468-F478 HydrophobicContact CE1-CZ 4.27Å; F478-W480 HydrophobicContact CB-CG 4.36Å; F478-W480 AromaticContact CG-NE1 3.82Å; F478-W480 PolarHBondContact O-N 3.42Å; F478-W480 VanDerWaalsContact O-N 3.09Å; F478-I481 WeakPolarHBondContact O-CG2 3.2Å; F478-I481 PolarHBondContact O-N 2.84Å
479	S	88.2	Confident	83.5	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.007	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-51.6	-34.9	-177.3	48.9	0	0	0	0	115	Y356 S357 V408 I481 L482 H483	Y356-S479 CarbonylContact O-C 3.52Å; Y356-S479 WeakPolarHBondContact O-CB 3.39Å; Y356-S479 PolarHBondContact O-OG 3.24Å; S357-S479 WeakPolarHBondContact CA-OG 3.35Å; S357-S479 WeakPolarHBondContact O-CB 3.41Å; S357-S479 PolarHBondContact O-OG 3.39Å; V408-S479 VanDerWaalsContact O-CB 3.3Å; V408-S479 WeakPolarHBondContact O-CB 3.5Å; V408-S479 PolarHBondContact O-N 3.43Å; V408-S479 PolarHBondContact O-OG 3.08Å; V408-S479 VanDerWaalsContact O-OG 3.07Å; S479-I481 PolarHBondContact O-N 3.32Å; S479-I481 VanDerWaalsContact O-N 3.15Å; S479-L482 WeakPolarHBondContact O-CA 3.49Å; S479-L482 WeakPolarHBondContact O-CB 3.47Å; S479-L482 PolarHBondContact O-N 2.95Å; S479-H483 PolarHBondContact O-CD2 3.01Å; S479-H483 VanDerWaalsContact O-CD2 3.31Å
480	W	82.1	Confident	83.9	Confident	20 Å²	20	35.6 Å²	35.6	8%	0.076	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-60.6	-26.5	-177.6	57.1	-99.6	0	0	0	114.4	F65 A67 P466 F478 L482	F65-W480 HydrophobicContact CD1-CE3 4.18Å; F65-W480 HydrophobicContact CD1-CZ3 4.49Å; F65-W480 HydrophobicContact CE1-CB 4.32Å; F65-W480 AromaticContact CE1-CE3 3.77Å; F65-W480 HydrophobicContact CE1-CE3 3.77Å; F65-W480 WeakPolarHBondContact CE1-O 3.36Å; F65-W480 WeakPolarHBondContact CZ-O 3.17Å; A67-W480 HydrophobicContact CB-CD2 4.28Å; A67-W480 HydrophobicContact CB-CH2 4.26Å; A67-W480 HydrophobicContact CB-CZ2 4.05Å; P466-W480 HydrophobicContact CB-CH2 3.58Å; P466-W480 HydrophobicContact CB-CZ2 3.89Å; P466-W480 HydrophobicContact CB-CZ3 4.4Å; F478-W480 HydrophobicContact CB-CG 4.36Å; F478-W480 AromaticContact CG-NE1 3.82Å; F478-W480 PolarHBondContact O-N 3.42Å; F478-W480 VanDerWaalsContact O-N 3.09Å; W480-L482 VanDerWaalsContact C-N 3.29Å
481	I	83.8	Confident	84.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-77.6	-19.4	175.1	-157.2	167.7	0	0	0	111.5	P466 I467 I477 F478 S479 H483 F486 F500 L602	P466-I481 HydrophobicContact CB-CD1 3.87Å; I467-I481 HydrophobicContact CD1-CD1 4.33Å; I467-I481 HydrophobicContact CD1-CG2 4.46Å; I477-I481 HydrophobicContact CD1-CG2 3.63Å; I477-I481 HydrophobicContact CG1-CG2 3.53Å; F478-I481 WeakPolarHBondContact O-CG2 3.2Å; F478-I481 PolarHBondContact O-N 2.84Å; S479-I481 PolarHBondContact O-N 3.32Å; S479-I481 VanDerWaalsContact O-N 3.15Å; I481-H483 PolarHBondContact O-N 3.23Å; I481-F486 HydrophobicContact CG1-CB 4.05Å; I481-F486 HydrophobicContact CG1-CD1 4.12Å; I481-F486 HydrophobicContact CG1-CD2 3.92Å; I481-F486 HydrophobicContact CG1-CE2 4.4Å; I481-F486 HydrophobicContact CG1-CG 3.77Å; I481-F486 WeakPolarHBondContact O-CB 3.45Å; I481-F500 HydrophobicContact CG1-CE1 4.29Å; I481-F500 HydrophobicContact CG1-CZ 4.08Å; I481-F500 HydrophobicContact CG2-CE1 3.88Å; I481-F500 HydrophobicContact CG2-CZ 4.19Å; I481-F500 WeakPolarHBondContact O-CZ 3.42Å; I481-L602 HydrophobicContact CD1-CD1 3.75Å; I481-L602 HydrophobicContact CD1-CD2 3.67Å; I481-L602 HydrophobicContact CD1-CG 4.38Å
482	L	90.3	Very high	85.7	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.016	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-83.2	33.4	177.8	-61.5	174.7	0	0	0	112.6	I359 T363 V367 M407 I477 S479 W480 W487 F500	I359-L482 HydrophobicContact CD1-CD1 3.86Å; I359-L482 HydrophobicContact CG2-CB 4Å; I359-L482 HydrophobicContact CG2-CD1 4.33Å; T363-L482 HydrophobicContact CG2-CB 4.2Å; V367-L482 HydrophobicContact CG2-CD2 3.78Å; M407-L482 HydrophobicContact SD-CD1 4.42Å; I477-L482 HydrophobicContact CD1-CD1 4.33Å; I477-L482 HydrophobicContact CD1-CD2 3.67Å; I477-L482 HydrophobicContact CD1-CG 3.99Å; I477-L482 HydrophobicContact CG1-CG 4.41Å; S479-L482 WeakPolarHBondContact O-CA 3.49Å; S479-L482 WeakPolarHBondContact O-CB 3.47Å; S479-L482 PolarHBondContact O-N 2.95Å; W480-L482 VanDerWaalsContact C-N 3.29Å; L482-W487 HydrophobicContact CD2-CE3 4.39Å; L482-F500 HydrophobicContact CD2-CD1 4.4Å; L482-F500 HydrophobicContact CD2-CE1 3.81Å; L482-F500 HydrophobicContact CD2-CZ 3.95Å
483	H	86.9	Confident	86.7	Confident	39 Å²	39	33.3 Å²	33.3	18%	0.181	17%	0.172	C	C	.	.	S	Bend	trans	-136.2	166.4	176.9	-74.8	-89.2	0	0	0	111.4	Y356 S358 S479 I481 F486 W487	Y356-H483 HydrophobicContact CD1-CB 3.7Å; Y356-H483 AromaticContact CD1-CD2 3.88Å; Y356-H483 AromaticContact CD1-CG 3.45Å; Y356-H483 VanDerWaalsContact CD1-CG 3.45Å; Y356-H483 AromaticContact CD1-ND1 3.58Å; Y356-H483 HydrophobicContact CE1-CB 4.15Å; Y356-H483 HydrophobicContact CG-CB 4.38Å; Y356-H483 PolarHBondContact O-CD2 3.19Å; Y356-H483 PolarHBondContact O-NE2 3.18Å; S358-H483 PolarHBondContact O-CE1 3.48Å; S358-H483 PolarHBondContact O-NE2 3.13Å; S479-H483 PolarHBondContact O-CD2 3.01Å; S479-H483 VanDerWaalsContact O-CD2 3.31Å; I481-H483 PolarHBondContact O-N 3.23Å; H483-F486 PolarHBondContact O-N 3.16Å; H483-W487 CarbonylContact C-O 3.57Å; H483-W487 PolarHBondContact O-N 3.41Å
484	P	82.3	Confident	87.2	Confident	53 Å²	53	24.9 Å²	24.9	34%	0.344	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	142.4	177.5	-26.4	35.3	0	0	0	111.9	F65 W487	F65-P484 VanDerWaalsContact CE2-O 3.26Å; F65-P484 WeakPolarHBondContact CE2-O 3.37Å; P484-W487 WeakPolarHBondContact CA-O 3.42Å; P484-W487 WeakPolarHBondContact CD-O 3.32Å; P484-W487 WeakPolarHBondContact CG-O 3.46Å
485	P	76.3	Confident	87.5	Confident	12 Å²	12	25.2 Å²	25.2	8%	0.078	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.3	0.3	9.7	36.1	-36.7	0	0	0	114.8	L60 Y61	L60-P485 HydrophobicContact CD2-CB 4.18Å; Y61-P485 HydrophobicContact CD1-CB 4.5Å; Y61-P485 HydrophobicContact CE1-CB 4.16Å
486	F	81.7	Confident	87.7	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.009	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-48	-175	-54.4	-80.4	0	0	0	111.5	F65 I481 H483 F500 I597 L602	F65-F486 HydrophobicContact CB-CE2 3.56Å; F65-F486 HydrophobicContact CB-CZ 3.86Å; F65-F486 HydrophobicContact CD1-CD2 4.38Å; F65-F486 AromaticContact CD1-CE2 3.51Å; F65-F486 HydrophobicContact CD1-CE2 3.51Å; F65-F486 HydrophobicContact CD1-CZ 4.36Å; F65-F486 HydrophobicContact CD2-CE2 4.34Å; F65-F486 HydrophobicContact CE1-CE2 4.17Å; F65-F486 HydrophobicContact CG-CD2 4.43Å; F65-F486 AromaticContact CG-CE2 3.57Å; F65-F486 HydrophobicContact CG-CE2 3.57Å; F65-F486 HydrophobicContact CG-CZ 4.34Å; I481-F486 HydrophobicContact CG1-CB 4.05Å; I481-F486 HydrophobicContact CG1-CD1 4.12Å; I481-F486 HydrophobicContact CG1-CD2 3.92Å; I481-F486 HydrophobicContact CG1-CE2 4.4Å; I481-F486 HydrophobicContact CG1-CG 3.77Å; I481-F486 WeakPolarHBondContact O-CB 3.45Å; H483-F486 PolarHBondContact O-N 3.16Å; F486-F500 HydrophobicContact CB-CE2 4.08Å; F486-F500 HydrophobicContact CB-CZ 4.04Å; F486-F500 WeakPolarHBondContact O-CE2 3.5Å; F486-I597 HydrophobicContact CD1-CD1 3.19Å; F486-I597 HydrophobicContact CD1-CG1 3.76Å; F486-I597 HydrophobicContact CE1-CD1 3.6Å; F486-I597 HydrophobicContact CE1-CG1 4.06Å; F486-I597 HydrophobicContact CG-CD1 4.23Å; F486-L602 HydrophobicContact CD1-CD2 4.1Å; F486-L602 HydrophobicContact CE1-CB 4.17Å; F486-L602 HydrophobicContact CE1-CD2 4.15Å
487	W	87.8	Confident	88	Confident	3 Å²	3	25.7 Å²	25.7	1%	0.011	14%	0.141	C	C	.	.			trans	-123.6	134.7	-179.5	-175.1	-87.9	0	0	0	110.8	T363 E366 V367 M370 L482 H483 P484 K496 F500	T363-W487 HydrophobicContact CG2-CD2 4.44Å; T363-W487 HydrophobicContact CG2-CZ2 4.11Å; T363-W487 VanDerWaalsContact CG2-NE1 3.34Å; T363-W487 PolarHBondContact OG1-NE1 3.36Å; E366-W487 HydrophobicContact CB-CH2 3.96Å; E366-W487 HydrophobicContact CB-CZ2 3.82Å; E366-W487 WeakPolarHBondContact OE2-CZ2 3.37Å; V367-W487 HydrophobicContact CG2-CE3 4.35Å; V367-W487 HydrophobicContact CG2-CH2 3.55Å; V367-W487 HydrophobicContact CG2-CZ2 3.96Å; V367-W487 HydrophobicContact CG2-CZ3 3.77Å; M370-W487 HydrophobicContact SD-CH2 3.88Å; M370-W487 HydrophobicContact SD-CZ3 3.93Å; L482-W487 HydrophobicContact CD2-CE3 4.39Å; H483-W487 CarbonylContact C-O 3.57Å; H483-W487 PolarHBondContact O-N 3.41Å; P484-W487 WeakPolarHBondContact CA-O 3.42Å; P484-W487 WeakPolarHBondContact CD-O 3.32Å; P484-W487 WeakPolarHBondContact CG-O 3.46Å; W487-K496 HydrophobicContact CE3-CG 4.49Å; W487-K496 HydrophobicContact CH2-CD 3.98Å; W487-K496 HydrophobicContact CH2-CG 4.5Å; W487-K496 HydrophobicContact CZ2-CD 4.29Å; W487-K496 HydrophobicContact CZ3-CB 4.4Å; W487-K496 HydrophobicContact CZ3-CD 4.21Å; W487-K496 HydrophobicContact CZ3-CG 4.23Å; W487-F500 HydrophobicContact CB-CE2 3.82Å; W487-F500 HydrophobicContact CB-CZ 4.24Å; W487-F500 HydrophobicContact CD2-CE2 4.42Å; W487-F500 AromaticContact CE3-CD2 3.52Å; W487-F500 HydrophobicContact CE3-CD2 3.52Å; W487-F500 AromaticContact CE3-CE2 3.66Å; W487-F500 HydrophobicContact CE3-CE2 3.66Å; W487-F500 HydrophobicContact CE3-CG 4.14Å; W487-F500 HydrophobicContact CE3-CZ 4.41Å; W487-F500 HydrophobicContact CZ3-CD2 4.07Å; W487-F500 HydrophobicContact CZ3-CG 4.34Å
488	S	88.1	Confident	88.2	Confident	20 Å²	20	25.7 Å²	25.7	14%	0.14	14%	0.141	C	C	.	.			trans	-144.9	142.1	168.8	179.5	0	0	0	0	107.8	S490 H491 K496	S488-S490 PolarHBondContact O-N 3.23Å; S488-S490 VanDerWaalsContact O-N 3.14Å; S488-S490 PolarHBondContact OG-N 2.83Å; S488-S490 PolarHBondContact OG-OG 2.96Å; S488-H491 PolarHBondContact N-ND1 2.92Å; S488-H491 WeakPolarHBondContact O-CB 3.5Å; S488-H491 PolarHBondContact O-N 2.87Å; S488-K496 WeakPolarHBondContact O-CE 3.18Å
489	E	87.2	Confident	88.5	Confident	111 Å²	111	26 Å²	26	52%	0.519	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.1	171.6	-64.2	-174.7	176.6	0	0	111.3	S360	S360-E489 PolarHBondContact OG-OE1 2.85Å
490	S	88.4	Confident	88.7	Confident	84 Å²	84	25.9 Å²	25.9	59%	0.587	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-13	176.5	72.8	0	0	0	0	115.3	S488	S488-S490 PolarHBondContact O-N 3.23Å; S488-S490 VanDerWaalsContact O-N 3.14Å; S488-S490 PolarHBondContact OG-N 2.83Å; S488-S490 PolarHBondContact OG-OG 2.96Å
491	H	90.5	Very high	89.3	Confident	32 Å²	32	25 Å²	25	15%	0.148	14%	0.138	C	C	.	.	S	Bend	trans	-66.4	141.4	176.5	-68.7	168.1	0	0	0	110.3	S488 E495 K496	S488-H491 PolarHBondContact N-ND1 2.92Å; S488-H491 WeakPolarHBondContact O-CB 3.5Å; S488-H491 PolarHBondContact O-N 2.87Å; H491-E495 WeakPolarHBondContact CA-OE2 3.45Å; H491-E495 HydrophobicContact CB-CB 4.16Å; H491-K496 HydrophobicContact CB-CG 4Å; H491-K496 VanDerWaalsContact O-CE 3.3Å; H491-K496 WeakPolarHBondContact O-CE 3.41Å
492	S	92.1	Very high	89.7	Confident	36 Å²	36	25.1 Å²	25.1	25%	0.252	14%	0.139	S	C	.	.			trans	-66.5	161.3	172.6	74.4	0	0	0	0	110.9	S494 E495 K496	S492-S494 PolarHBondContact O-N 3.41Å; S492-S494 PolarHBondContact OG-N 3.12Å; S492-S494 PolarHBondContact OG-OG 2.94Å; S492-E495 PolarHBondContact N-OE2 2.83Å; S492-E495 PolarHBondContact O-N 2.78Å; S492-E495 VanDerWaalsContact O-N 3.15Å; S492-E495 WeakPolarHBondContact OG-CG 3.31Å; S492-E495 PolarHBondContact OG-N 3.15Å; S492-E495 VanDerWaalsContact OG-N 3.1Å; S492-E495 PolarHBondContact OG-OE2 3.08Å; S492-K496 WeakPolarHBondContact O-CG 3.29Å; S492-K496 PolarHBondContact O-N 2.91Å
493	M	91.9	Very high	89.7	Confident	76 Å²	76	25 Å²	25	37%	0.374	14%	0.138	S	C	.	.	H	α-helix	trans	-62.4	-32.2	171.9	-71.1	-61.8	160.6	0	0	112	E495 K496 Y497 Y574	M493-E495 VanDerWaalsContact C-N 3.32Å; M493-E495 PolarHBondContact O-N 3.32Å; M493-K496 HydrophobicContact CE-CD 4.09Å; M493-K496 PolarHBondContact O-N 3.1Å; M493-K496 HydrophobicContact SD-CD 3.92Å; M493-Y497 HydrophobicContact CB-CD2 4.47Å; M493-Y497 WeakPolarHBondContact O-CB 3.22Å; M493-Y497 VanDerWaalsContact O-CD2 3.29Å; M493-Y497 WeakPolarHBondContact O-CD2 3.17Å; M493-Y497 PolarHBondContact O-N 3.24Å; M493-Y574 HydrophobicContact CB-CD2 4.47Å; M493-Y574 HydrophobicContact CB-CE2 4.02Å
494	S	93.1	Very high	90	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	13%	0.13	C	C	.	.	H	α-helix	trans	-60.5	-42	173.3	38.2	0	0	0	0	111.8	S492 G498 Y574 N586 F590	S492-S494 PolarHBondContact O-N 3.41Å; S492-S494 PolarHBondContact OG-N 3.12Å; S492-S494 PolarHBondContact OG-OG 2.94Å; S494-G498 PolarHBondContact O-N 3.47Å; S494-Y574 WeakPolarHBondContact CB-OH 3.38Å; S494-N586 WeakPolarHBondContact CB-O 3.42Å; S494-N586 PolarHBondContact OG-OD1 2.92Å; S494-F590 WeakPolarHBondContact O-CA 3.37Å
495	E	92.7	Very high	90.6	Very high	37 Å²	37	20.6 Å²	20.6	17%	0.173	11%	0.113	C	C	.	.	H	α-helix	trans	-68.5	-46	176.4	-68.6	173.6	121.4	0	0	111.9	H491 S492 M493 Y497 G498 I499 A593	H491-E495 WeakPolarHBondContact CA-OE2 3.45Å; H491-E495 HydrophobicContact CB-CB 4.16Å; S492-E495 PolarHBondContact N-OE2 2.83Å; S492-E495 PolarHBondContact O-N 2.78Å; S492-E495 VanDerWaalsContact O-N 3.15Å; S492-E495 WeakPolarHBondContact OG-CG 3.31Å; S492-E495 PolarHBondContact OG-N 3.15Å; S492-E495 VanDerWaalsContact OG-N 3.1Å; S492-E495 PolarHBondContact OG-OE2 3.08Å; M493-E495 VanDerWaalsContact C-N 3.32Å; M493-E495 PolarHBondContact O-N 3.32Å; E495-Y497 PolarHBondContact O-N 3.18Å; E495-G498 PolarHBondContact O-N 3.39Å; E495-I499 WeakPolarHBondContact O-CG1 3.46Å; E495-I499 PolarHBondContact O-N 2.98Å; E495-A593 HydrophobicContact CB-CB 4.13Å; E495-A593 HydrophobicContact CG-CB 4.15Å
496	K	94.2	Very high	91.3	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.017	11%	0.111	C	C	.	.	H	α-helix	trans	-59.6	-46.9	179	-69.1	177.1	-175.5	176.9	0	111.4	E366 M370 W487 S488 H491 S492 M493 I499 F500 G501	E366-K496 IonicContact OE1-NZ 3.12Å; E366-K496 PolarHBondContact OE1-NZ 3.12Å; E366-K496 VanDerWaalsContact OE1-NZ 3.12Å; E366-K496 IonicContact OE2-NZ 2.68Å; E366-K496 PolarHBondContact OE2-NZ 2.96Å; M370-K496 HydrophobicContact CE-CB 3.9Å; M370-K496 WeakPolarHBondContact CE-O 3.47Å; M370-K496 HydrophobicContact SD-CB 3.9Å; W487-K496 HydrophobicContact CE3-CG 4.49Å; W487-K496 HydrophobicContact CH2-CD 3.98Å; W487-K496 HydrophobicContact CH2-CG 4.5Å; W487-K496 HydrophobicContact CZ2-CD 4.29Å; W487-K496 HydrophobicContact CZ3-CB 4.4Å; W487-K496 HydrophobicContact CZ3-CD 4.21Å; W487-K496 HydrophobicContact CZ3-CG 4.23Å; S488-K496 WeakPolarHBondContact O-CE 3.18Å; H491-K496 HydrophobicContact CB-CG 4Å; H491-K496 VanDerWaalsContact O-CE 3.3Å; H491-K496 WeakPolarHBondContact O-CE 3.41Å; S492-K496 WeakPolarHBondContact O-CG 3.29Å; S492-K496 PolarHBondContact O-N 2.91Å; M493-K496 HydrophobicContact CE-CD 4.09Å; M493-K496 PolarHBondContact O-N 3.1Å; M493-K496 HydrophobicContact SD-CD 3.92Å; K496-I499 PolarHBondContact O-N 3.36Å; K496-F500 PolarHBondContact O-N 3.37Å; K496-G501 PolarHBondContact O-N 3.35Å
497	Y	95.4	Very high	91.6	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.02	11%	0.114	C	C	.	.	I	π-helix	trans	-66.5	-40.8	175.8	-85.7	-96.1	0	0	0	111.7	M370 M374 M493 E495 I499 G501 W502 S570 A573 Y574 T577 F590	M370-Y497 HydrophobicContact CE-CD1 4.41Å; M370-Y497 HydrophobicContact CE-CD2 3.86Å; M370-Y497 HydrophobicContact CE-CE2 4.13Å; M370-Y497 HydrophobicContact CE-CG 4.01Å; M370-Y497 HydrophobicContact CG-CD2 4.47Å; M370-Y497 HydrophobicContact CG-CE2 3.82Å; M370-Y497 HydrophobicContact SD-CE2 4.43Å; M374-Y497 HydrophobicContact CG-CE1 4.27Å; M493-Y497 HydrophobicContact CB-CD2 4.47Å; M493-Y497 WeakPolarHBondContact O-CB 3.22Å; M493-Y497 VanDerWaalsContact O-CD2 3.29Å; M493-Y497 WeakPolarHBondContact O-CD2 3.17Å; M493-Y497 PolarHBondContact O-N 3.24Å; E495-Y497 PolarHBondContact O-N 3.18Å; Y497-I499 VanDerWaalsContact C-N 3.25Å; Y497-I499 PolarHBondContact O-N 2.66Å; Y497-G501 CarbonylContact O-C 3.5Å; Y497-G501 WeakPolarHBondContact O-CA 3.37Å; Y497-G501 PolarHBondContact O-N 2.79Å; Y497-W502 PolarHBondContact O-N 3.44Å; Y497-S570 WeakPolarHBondContact CD1-O 3.24Å; Y497-S570 PolarHBondContact O-OG 2.99Å; Y497-A573 HydrophobicContact CE1-CB 3.94Å; Y497-Y574 AromaticContact CD2-CD2 3.91Å; Y497-Y574 HydrophobicContact CD2-CD2 3.91Å; Y497-Y574 HydrophobicContact CD2-CG 4.48Å; Y497-Y574 HydrophobicContact CE2-CD2 4.43Å; Y497-Y574 HydrophobicContact CG-CD2 4.15Å; Y497-Y574 HydrophobicContact CG-CG 4.26Å; Y497-T577 HydrophobicContact CE2-CG2 4.47Å; Y497-T577 WeakPolarHBondContact OH-CG2 3.37Å; Y497-F590 VanDerWaalsContact C-CE2 3.49Å
498	G	94	Very high	91.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-60.1	-34.2	176.3	0	0	0	0	0	113.5	S494 E495 F590 F594	S494-G498 PolarHBondContact O-N 3.47Å; E495-G498 PolarHBondContact O-N 3.39Å; G498-F590 VanDerWaalsContact N-CD2 3.33Å; G498-F594 VanDerWaalsContact O-CA 3.28Å; G498-F594 WeakPolarHBondContact O-CA 3.46Å; G498-F594 VanDerWaalsContact O-CB 3.3Å; G498-F594 WeakPolarHBondContact O-CB 3.27Å
499	I	90.9	Very high	91.9	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.031	11%	0.11	C	C	.	.	I	π-helix	trans	-89.2	-68.5	179.7	-62.9	168.6	0	0	0	111.1	E495 K496 Y497 I503 A593 I597	E495-I499 WeakPolarHBondContact O-CG1 3.46Å; E495-I499 PolarHBondContact O-N 2.98Å; K496-I499 PolarHBondContact O-N 3.36Å; Y497-I499 VanDerWaalsContact C-N 3.25Å; Y497-I499 PolarHBondContact O-N 2.66Å; I499-I503 WeakPolarHBondContact O-CG1 3.08Å; I499-A593 HydrophobicContact CD1-CB 4.28Å; I499-A593 HydrophobicContact CG1-CB 3.96Å; I499-I597 HydrophobicContact CG1-CB 4.29Å; I499-I597 HydrophobicContact CG2-CB 4.26Å; I499-I597 HydrophobicContact CG2-CD1 4.21Å; I499-I597 HydrophobicContact CG2-CG1 3.94Å; I499-I597 HydrophobicContact CG2-CG2 4.31Å
500	F	92.7	Very high	91.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-82.1	-32.7	-171.9	-81.3	-82.3	0	0	0	113.2	M370 I477 I481 L482 F486 W487 K496 W502 I503 F504	M370-F500 HydrophobicContact CE-CB 4.28Å; I477-F500 HydrophobicContact CD1-CD1 4.06Å; I477-F500 HydrophobicContact CD1-CE1 3.72Å; I481-F500 HydrophobicContact CG1-CE1 4.29Å; I481-F500 HydrophobicContact CG1-CZ 4.08Å; I481-F500 HydrophobicContact CG2-CE1 3.88Å; I481-F500 HydrophobicContact CG2-CZ 4.19Å; I481-F500 WeakPolarHBondContact O-CZ 3.42Å; L482-F500 HydrophobicContact CD2-CD1 4.4Å; L482-F500 HydrophobicContact CD2-CE1 3.81Å; L482-F500 HydrophobicContact CD2-CZ 3.95Å; F486-F500 HydrophobicContact CB-CE2 4.08Å; F486-F500 HydrophobicContact CB-CZ 4.04Å; F486-F500 WeakPolarHBondContact O-CE2 3.5Å; W487-F500 HydrophobicContact CB-CE2 3.82Å; W487-F500 HydrophobicContact CB-CZ 4.24Å; W487-F500 HydrophobicContact CD2-CE2 4.42Å; W487-F500 AromaticContact CE3-CD2 3.52Å; W487-F500 HydrophobicContact CE3-CD2 3.52Å; W487-F500 AromaticContact CE3-CE2 3.66Å; W487-F500 HydrophobicContact CE3-CE2 3.66Å; W487-F500 HydrophobicContact CE3-CG 4.14Å; W487-F500 HydrophobicContact CE3-CZ 4.41Å; W487-F500 HydrophobicContact CZ3-CD2 4.07Å; W487-F500 HydrophobicContact CZ3-CG 4.34Å; K496-F500 PolarHBondContact O-N 3.37Å; F500-W502 VanDerWaalsContact C-N 3.31Å; F500-W502 PolarHBondContact O-N 2.96Å; F500-I503 HydrophobicContact CD1-CD1 4.39Å; F500-I503 PolarHBondContact O-N 3.26Å; F500-F504 HydrophobicContact CB-CD2 4.23Å; F500-F504 HydrophobicContact CB-CE2 3.84Å; F500-F504 HydrophobicContact CB-CZ 4.44Å; F500-F504 HydrophobicContact CD1-CE2 4.23Å; F500-F504 AromaticContact CD1-CZ 3.98Å; F500-F504 HydrophobicContact CD1-CZ 3.98Å; F500-F504 HydrophobicContact CG-CE2 4.45Å; F500-F504 WeakPolarHBondContact O-CD2 3.41Å; F500-F504 VanDerWaalsContact O-CG 3.32Å; F500-F504 WeakPolarHBondContact O-CG 3.48Å; F500-F504 PolarHBondContact O-N 2.85Å
501	G	94.9	Very high	91.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-61.2	-42.4	175.7	0	0	0	0	0	111.2	M374 K496 Y497 I503 F504 G505 S570	M374-G501 WeakPolarHBondContact CE-O 3.37Å; K496-G501 PolarHBondContact O-N 3.35Å; Y497-G501 CarbonylContact O-C 3.5Å; Y497-G501 WeakPolarHBondContact O-CA 3.37Å; Y497-G501 PolarHBondContact O-N 2.79Å; G501-I503 VanDerWaalsContact C-N 3.35Å; G501-I503 PolarHBondContact O-N 3.24Å; G501-F504 PolarHBondContact O-N 3.36Å; G501-G505 PolarHBondContact O-N 3.23Å; G501-S570 VanDerWaalsContact C-OG 3.24Å; G501-S570 WeakPolarHBondContact CA-OG 3.31Å
502	W	92.9	Very high	91.4	Very high	3 Å²	3	12.3 Å²	12.3	1%	0.011	7%	0.067	C	C	.	.	H	α-helix	trans	-56	-48.6	172.5	166.9	56.6	0	0	0	112.3	Y497 F500 G505 R506 D563 L567 F594 I597 V598 L602 I607	Y497-W502 PolarHBondContact O-N 3.44Å; F500-W502 VanDerWaalsContact C-N 3.31Å; F500-W502 PolarHBondContact O-N 2.96Å; W502-G505 PolarHBondContact O-N 3.41Å; W502-R506 PolarHBondContact O-N 2.93Å; W502-D563 WeakPolarHBondContact CZ2-OD1 3.36Å; W502-D563 PolarHBondContact NE1-OD1 3.38Å; W502-L567 HydrophobicContact CB-CD1 3.87Å; W502-L567 HydrophobicContact CG-CD1 4.25Å; W502-F594 HydrophobicContact CB-CD2 4.01Å; W502-F594 HydrophobicContact CB-CE2 4.45Å; W502-F594 AromaticContact CD1-CE2 3.84Å; W502-F594 AromaticContact CD2-CD2 3.73Å; W502-F594 HydrophobicContact CD2-CD2 3.73Å; W502-F594 AromaticContact CD2-CE2 3.46Å; W502-F594 HydrophobicContact CD2-CE2 3.46Å; W502-F594 VanDerWaalsContact CD2-CE2 3.46Å; W502-F594 AromaticContact CE2-CE2 3.57Å; W502-F594 HydrophobicContact CE3-CD2 4Å; W502-F594 AromaticContact CE3-CE2 3.94Å; W502-F594 HydrophobicContact CE3-CE2 3.94Å; W502-F594 AromaticContact CG-CD2 3.69Å; W502-F594 HydrophobicContact CG-CD2 3.69Å; W502-F594 AromaticContact CG-CE2 3.65Å; W502-F594 HydrophobicContact CG-CE2 3.65Å; W502-F594 HydrophobicContact CZ2-CE2 4.13Å; W502-F594 HydrophobicContact CZ3-CE2 4.45Å; W502-F594 AromaticContact NE1-CE2 3.78Å; W502-I597 HydrophobicContact CE3-CG2 4.25Å; W502-I597 HydrophobicContact CZ3-CG2 4.18Å; W502-V598 HydrophobicContact CE3-CG2 4.44Å; W502-V598 HydrophobicContact CH2-CG2 3.8Å; W502-V598 HydrophobicContact CZ2-CG2 4.38Å; W502-V598 HydrophobicContact CZ3-CG2 3.83Å; W502-L602 WeakPolarHBondContact CZ3-O 3.48Å; W502-I607 HydrophobicContact CH2-CD1 3.83Å; W502-I607 HydrophobicContact CZ2-CD1 4.48Å; W502-I607 HydrophobicContact CZ3-CD1 4.09Å
503	I	90	Very high	90.5	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-65.1	-46.7	-176.6	-54.2	161	0	0	0	111.1	I467 I499 F500 G501 G505 R506 Q507 L602 I607	I467-I503 HydrophobicContact CB-CG2 4.08Å; I467-I503 HydrophobicContact CD1-CB 4.13Å; I467-I503 HydrophobicContact CD1-CD1 4.04Å; I467-I503 HydrophobicContact CD1-CG2 3.33Å; I467-I503 HydrophobicContact CG1-CG2 4.25Å; I467-I503 HydrophobicContact CG2-CG2 3.97Å; I499-I503 WeakPolarHBondContact O-CG1 3.08Å; F500-I503 HydrophobicContact CD1-CD1 4.39Å; F500-I503 PolarHBondContact O-N 3.26Å; G501-I503 VanDerWaalsContact C-N 3.35Å; G501-I503 PolarHBondContact O-N 3.24Å; I503-G505 VanDerWaalsContact C-N 3.33Å; I503-G505 PolarHBondContact O-N 2.99Å; I503-R506 PolarHBondContact O-N 2.85Å; I503-Q507 WeakPolarHBondContact O-CG 3.46Å; I503-Q507 PolarHBondContact O-N 3.04Å; I503-Q507 VanDerWaalsContact O-N 3.16Å; I503-L602 HydrophobicContact CD1-CD2 3.54Å; I503-L602 HydrophobicContact CG1-CD2 4.49Å; I503-I607 HydrophobicContact CG1-CD1 4.28Å; I503-I607 HydrophobicContact CG2-CD1 4.12Å
504	F	93.6	Very high	89.3	Confident	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.3	-41.5	176.3	-63.8	-38.2	0	0	0	111.7	V367 F371 M374 V405 V475 I477 F500 G501 R506 Q507 I508	V367-F504 HydrophobicContact CG1-CE2 3.88Å; V367-F504 HydrophobicContact CG1-CZ 3.6Å; F371-F504 HydrophobicContact CD2-CB 3.85Å; F371-F504 AromaticContact CD2-CD1 3.91Å; F371-F504 HydrophobicContact CD2-CD1 3.91Å; F371-F504 HydrophobicContact CD2-CD2 4.11Å; F371-F504 AromaticContact CD2-CG 3.7Å; F371-F504 HydrophobicContact CD2-CG 3.7Å; F371-F504 HydrophobicContact CE2-CB 4.06Å; F371-F504 HydrophobicContact CE2-CD1 4.09Å; F371-F504 HydrophobicContact CE2-CG 4.16Å; M374-F504 HydrophobicContact CE-CB 4.47Å; M374-F504 HydrophobicContact SD-CB 4.1Å; V405-F504 HydrophobicContact CG2-CE1 4.34Å; V475-F504 HydrophobicContact CG1-CD1 4.33Å; I477-F504 HydrophobicContact CD1-CE1 3.96Å; I477-F504 HydrophobicContact CD1-CZ 3.91Å; F500-F504 HydrophobicContact CB-CD2 4.23Å; F500-F504 HydrophobicContact CB-CE2 3.84Å; F500-F504 HydrophobicContact CB-CZ 4.44Å; F500-F504 HydrophobicContact CD1-CE2 4.23Å; F500-F504 AromaticContact CD1-CZ 3.98Å; F500-F504 HydrophobicContact CD1-CZ 3.98Å; F500-F504 HydrophobicContact CG-CE2 4.45Å; F500-F504 WeakPolarHBondContact O-CD2 3.41Å; F500-F504 VanDerWaalsContact O-CG 3.32Å; F500-F504 WeakPolarHBondContact O-CG 3.48Å; F500-F504 PolarHBondContact O-N 2.85Å; G501-F504 PolarHBondContact O-N 3.36Å; F504-R506 VanDerWaalsContact C-N 3.35Å; F504-R506 PolarHBondContact O-N 3.09Å; F504-Q507 PolarHBondContact O-N 3.14Å; F504-I508 WeakPolarHBondContact O-CB 3.44Å; F504-I508 WeakPolarHBondContact O-CG1 3.38Å; F504-I508 PolarHBondContact O-N 3.13Å
505	G	94.6	Very high	87.4	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.2	-47.2	177	0	0	0	0	0	111.7	G501 W502 I503 Q507 I508 I509	G501-G505 PolarHBondContact O-N 3.23Å; W502-G505 PolarHBondContact O-N 3.41Å; I503-G505 VanDerWaalsContact C-N 3.33Å; I503-G505 PolarHBondContact O-N 2.99Å; G505-Q507 VanDerWaalsContact C-N 3.34Å; G505-Q507 PolarHBondContact O-N 3.47Å; G505-I508 PolarHBondContact O-N 2.93Å; G505-I509 WeakPolarHBondContact O-CB 3.34Å; G505-I509 WeakPolarHBondContact O-CG1 3.43Å; G505-I509 PolarHBondContact O-N 2.77Å
506	R	89.8	Confident	85.4	Confident	9 Å²	9	14.3 Å²	14.3	3%	0.034	8%	0.076	C	C	.	.	H	α-helix	trans	-55.9	-48.1	175.7	179.9	-160.3	164.3	97.6	-2.2	111.4	W502 I503 F504 S510 S562 D563 S604 D608	W502-R506 PolarHBondContact O-N 2.93Å; I503-R506 PolarHBondContact O-N 2.85Å; F504-R506 VanDerWaalsContact C-N 3.35Å; F504-R506 PolarHBondContact O-N 3.09Å; R506-S510 VanDerWaalsContact O-CB 3.3Å; R506-S510 WeakPolarHBondContact O-CB 3.45Å; R506-S510 PolarHBondContact O-N 2.95Å; R506-S562 WeakPolarHBondContact CA-O 3.42Å; R506-D563 WeakPolarHBondContact CD-OD1 3.32Å; R506-D563 IonicContact CZ-OD1 2.83Å; R506-D563 IonicContact NE-OD1 2.82Å; R506-D563 IonicContact NH1-OD1 3.58Å; R506-D563 PolarHBondContact NH1-OD1 2.98Å; R506-D563 IonicContact NH1-OD2 3.19Å; R506-D563 PolarHBondContact NH1-OD2 2.93Å; R506-S604 PolarHBondContact NH1-OG 3.1Å; R506-S604 PolarHBondContact NH2-OG 2.99Å; R506-D608 IonicContact CZ-OD1 3.39Å; R506-D608 IonicContact CZ-OD2 3.32Å; R506-D608 IonicContact NH2-OD1 2.93Å; R506-D608 PolarHBondContact NH2-OD1 3.49Å; R506-D608 IonicContact NH2-OD2 3.66Å; R506-D608 PolarHBondContact NH2-OD2 2.89Å
507	Q	89.2	Confident	83	Confident	15 Å²	15	16.2 Å²	16.2	7%	0.07	9%	0.085	C	C	.	.	H	α-helix	trans	-66.9	-42.9	-178.6	-64	-60.1	-42.2	0	0	112.5	I467 T469 V475 I503 F504 G505 A511	I467-Q507 HydrophobicContact CG2-CG 3.78Å; T469-Q507 PolarHBondContact OG1-OE1 2.9Å; V475-Q507 HydrophobicContact CG1-CB 3.94Å; V475-Q507 HydrophobicContact CG1-CG 3.98Å; V475-Q507 HydrophobicContact CG2-CB 3.79Å; I503-Q507 WeakPolarHBondContact O-CG 3.46Å; I503-Q507 PolarHBondContact O-N 3.04Å; I503-Q507 VanDerWaalsContact O-N 3.16Å; F504-Q507 PolarHBondContact O-N 3.14Å; G505-Q507 VanDerWaalsContact C-N 3.34Å; G505-Q507 PolarHBondContact O-N 3.47Å; Q507-A511 WeakPolarHBondContact O-CB 3.49Å; Q507-A511 PolarHBondContact O-N 2.93Å
508	I	91.8	Very high	80.3	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64	-46.5	177.7	-65.8	164.6	0	0	0	110.2	F371 M374 K375 L378 I403 F504 G505 A511 V512	F371-I508 HydrophobicContact CD2-CD1 4.2Å; F371-I508 HydrophobicContact CE2-CD1 3.73Å; F371-I508 HydrophobicContact CE2-CG1 3.91Å; F371-I508 HydrophobicContact CZ-CD1 3.93Å; F371-I508 HydrophobicContact CZ-CG1 3.87Å; M374-I508 HydrophobicContact CB-CD1 4.36Å; K375-I508 HydrophobicContact CG-CD1 4.45Å; L378-I508 HydrophobicContact CD2-CG2 3.38Å; I403-I508 HydrophobicContact CD1-CG1 4.43Å; I403-I508 HydrophobicContact CG2-CG1 4.44Å; F504-I508 WeakPolarHBondContact O-CB 3.44Å; F504-I508 WeakPolarHBondContact O-CG1 3.38Å; F504-I508 PolarHBondContact O-N 3.13Å; G505-I508 PolarHBondContact O-N 2.93Å; I508-A511 WeakPolarHBondContact O-CB 3.34Å; I508-A511 PolarHBondContact O-N 3.17Å; I508-V512 WeakPolarHBondContact O-CG2 3.18Å; I508-V512 PolarHBondContact O-N 3.3Å; I508-V512 VanDerWaalsContact O-N 3.09Å
509	I	90.4	Very high	77.8	Confident	13 Å²	13	27.9 Å²	27.9	7%	0.067	14%	0.142	C	C	.	.	H	α-helix	trans	-63.1	-46.8	179.1	-69.3	-65.5	0	0	0	110.6	L378 G505 A511 V512 L513 N565 L569	L378-I509 HydrophobicContact CD1-CD1 3.94Å; L378-I509 HydrophobicContact CD2-CD1 4.16Å; G505-I509 WeakPolarHBondContact O-CB 3.34Å; G505-I509 WeakPolarHBondContact O-CG1 3.43Å; G505-I509 PolarHBondContact O-N 2.77Å; I509-A511 VanDerWaalsContact C-N 3.32Å; I509-A511 PolarHBondContact O-N 3.02Å; I509-V512 PolarHBondContact O-N 2.93Å; I509-L513 HydrophobicContact CG2-CD1 3.41Å; I509-L513 VanDerWaalsContact CG2-CD1 3.41Å; I509-L513 HydrophobicContact CG2-CG 4.18Å; I509-L513 WeakPolarHBondContact O-CB 3.44Å; I509-L513 VanDerWaalsContact O-CG 3.27Å; I509-L513 WeakPolarHBondContact O-CG 3.42Å; I509-L513 PolarHBondContact O-N 3.38Å; I509-N565 HydrophobicContact CD1-CB 4.33Å; I509-N565 HydrophobicContact CG1-CB 4.17Å; I509-N565 HydrophobicContact CG2-CB 4.03Å; I509-L569 HydrophobicContact CD1-CD2 4.46Å; I509-L569 HydrophobicContact CG1-CD2 4.49Å
510	S	85.5	Confident	75.7	Confident	24 Å²	24	28.9 Å²	28.9	17%	0.168	15%	0.149	C	C	.	.	H	α-helix	trans	-56.6	-46.4	174.6	175.6	0	0	0	0	111	R506 V512 L513 N514	R506-S510 VanDerWaalsContact O-CB 3.3Å; R506-S510 WeakPolarHBondContact O-CB 3.45Å; R506-S510 PolarHBondContact O-N 2.95Å; S510-V512 VanDerWaalsContact C-N 3.29Å; S510-V512 PolarHBondContact O-N 3.04Å; S510-L513 PolarHBondContact O-N 3.2Å; S510-L513 VanDerWaalsContact O-N 3.13Å; S510-N514 VanDerWaalsContact O-CB 3.24Å; S510-N514 WeakPolarHBondContact O-CB 3.42Å; S510-N514 PolarHBondContact O-N 3.18Å
511	A	84.8	Confident	73.1	Confident	2 Å²	2	36.6 Å²	36.6	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-58.5	-38	178.7	0	0	0	0	0	113.5	I403 T469 R472 Q507 I508 I509	I403-A511 HydrophobicContact CD1-CB 3.63Å; T469-A511 HydrophobicContact CG2-CB 4.18Å; R472-A511 HydrophobicContact CB-CB 4.28Å; R472-A511 VanDerWaalsContact CD-O 3.28Å; R472-A511 WeakPolarHBondContact CD-O 3.5Å; R472-A511 HydrophobicContact CG-CB 4.43Å; Q507-A511 WeakPolarHBondContact O-CB 3.49Å; Q507-A511 PolarHBondContact O-N 2.93Å; I508-A511 WeakPolarHBondContact O-CB 3.34Å; I508-A511 PolarHBondContact O-N 3.17Å; I509-A511 VanDerWaalsContact C-N 3.32Å; I509-A511 PolarHBondContact O-N 3.02Å
512	V	84.1	Confident	70.5	Confident	27 Å²	27	40.9 Å²	40.9	16%	0.164	21%	0.211	C	C	.	.	H	α-helix	trans	-72.9	-38	177.1	174.7	0	0	0	0	111.7	L378 A396 T399 V400 I508 I509 S510	L378-V512 HydrophobicContact CD2-CG2 4.4Å; A396-V512 HydrophobicContact CB-CG1 3.9Å; T399-V512 HydrophobicContact CG2-CG2 4.34Å; V400-V512 HydrophobicContact CG2-CG2 3.39Å; I508-V512 WeakPolarHBondContact O-CG2 3.18Å; I508-V512 PolarHBondContact O-N 3.3Å; I508-V512 VanDerWaalsContact O-N 3.09Å; I509-V512 PolarHBondContact O-N 2.93Å; S510-V512 VanDerWaalsContact C-N 3.29Å; S510-V512 PolarHBondContact O-N 3.04Å
513	L	75.1	Confident	68.1	Low	21 Å²	21	50.3 Å²	50.3	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-86.5	-13.8	-174.7	-64.7	174.6	0	0	0	114.5	I509 S510 D515 Q516 F536 L652	I509-L513 HydrophobicContact CG2-CD1 3.41Å; I509-L513 VanDerWaalsContact CG2-CD1 3.41Å; I509-L513 HydrophobicContact CG2-CG 4.18Å; I509-L513 WeakPolarHBondContact O-CB 3.44Å; I509-L513 VanDerWaalsContact O-CG 3.27Å; I509-L513 WeakPolarHBondContact O-CG 3.42Å; I509-L513 PolarHBondContact O-N 3.38Å; S510-L513 PolarHBondContact O-N 3.2Å; S510-L513 VanDerWaalsContact O-N 3.13Å; L513-D515 PolarHBondContact O-N 3.04Å; L513-Q516 WeakPolarHBondContact O-CB 3.46Å; L513-Q516 PolarHBondContact O-N 3.17Å; L513-F536 HydrophobicContact CD1-CD2 3.83Å; L513-F536 HydrophobicContact CD1-CE2 3.52Å; L513-F536 HydrophobicContact CD1-CZ 4.37Å; L513-F536 HydrophobicContact CD2-CD2 3.85Å; L513-F536 HydrophobicContact CD2-CE2 4.27Å; L513-F536 HydrophobicContact CD2-CG 4.29Å; L513-F536 HydrophobicContact CG-CD2 4.43Å; L513-F536 HydrophobicContact CG-CE2 4.38Å; L513-L652 HydrophobicContact CD2-CD2 4.47Å
514	N	66.3	Low	66	Low	42 Å²	42	57.5 Å²	57.5	23%	0.225	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-13.3	-168.7	-167.4	2.1	0	0	0	114.9	R472 S510 Q516 E517 L518	R472-N514 PolarHBondContact NH2-O 3.2Å; S510-N514 VanDerWaalsContact O-CB 3.24Å; S510-N514 WeakPolarHBondContact O-CB 3.42Å; S510-N514 PolarHBondContact O-N 3.18Å; N514-Q516 PolarHBondContact O-N 3.36Å; N514-E517 PolarHBondContact O-N 3.44Å; N514-L518 PolarHBondContact O-N 2.92Å; N514-L518 VanDerWaalsContact O-N 3.14Å
515	D	52.8	Low	64.1	Low	70 Å²	70	61.2 Å²	61.2	37%	0.374	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-26.7	167.5	-93.1	6.8	0	0	0	112.3	K395 R472 L513	K395-D515 WeakPolarHBondContact CE-OD2 3.2Å; K395-D515 IonicContact NZ-OD2 3.08Å; K395-D515 PolarHBondContact NZ-OD2 3.42Å; R472-D515 IonicContact CZ-OD1 3.51Å; R472-D515 IonicContact NH1-OD1 2.63Å; R472-D515 PolarHBondContact NH1-OD1 2.92Å; R472-D515 IonicContact NH1-OD2 2.62Å; R472-D515 IonicContact NH2-OD1 3.54Å; R472-D515 PolarHBondContact NH2-OD1 2.83Å; L513-D515 PolarHBondContact O-N 3.04Å
516	Q	50	Low	62.4	Low	59 Å²	59	62.7 Å²	62.7	28%	0.276	32%	0.317	S	S	.	.	H	α-helix	trans	-89.8	-21.5	176.7	-62.4	-178.1	-36.4	0	0	112.7	L513 N514 F536 Y558	L513-Q516 WeakPolarHBondContact O-CB 3.46Å; L513-Q516 PolarHBondContact O-N 3.17Å; N514-Q516 PolarHBondContact O-N 3.36Å; Q516-F536 HydrophobicContact CB-CD1 4.41Å; Q516-F536 HydrophobicContact CB-CE1 4.29Å; Q516-Y558 HydrophobicContact CB-CE1 4.39Å; Q516-Y558 PolarHBondContact O-OH 2.96Å
517	E	43.4	Very low	61.1	Low	44 Å²	44	67.8 Å²	67.8	21%	0.206	34%	0.341	C	S	.	.	H	α-helix	trans	-75.2	-36.9	172.3	-77.2	-170.8	165.8	0	0	112.4	N514 H519 S520 Q521 Y558	N514-E517 PolarHBondContact O-N 3.44Å; E517-H519 PolarHBondContact O-N 3.49Å; E517-S520 WeakPolarHBondContact O-CA 3.45Å; E517-S520 WeakPolarHBondContact O-CB 3.4Å; E517-S520 PolarHBondContact O-N 2.69Å; E517-S520 PolarHBondContact O-OG 2.81Å; E517-Q521 PolarHBondContact O-N 3Å; E517-Y558 HydrophobicContact CG-CD1 3.46Å; E517-Y558 VanDerWaalsContact CG-CD1 3.46Å; E517-Y558 HydrophobicContact CG-CE1 4.03Å; E517-Y558 HydrophobicContact CG-CG 3.92Å
518	L	40.2	Very low	60.1	Low	100 Å²	100	69.9 Å²	69.9	52%	0.524	36%	0.357	S	S	.	.	H	α-helix	trans	-63.7	-31.8	177.7	-124.6	95.5	0	0	0	112.3	N514 S520 Q521	N514-L518 PolarHBondContact O-N 2.92Å; N514-L518 VanDerWaalsContact O-N 3.14Å; L518-S520 PolarHBondContact O-N 2.72Å; L518-Q521 PolarHBondContact O-N 3.05Å
519	H	41.5	Very low	58.7	Low	150 Å²	150	76.4 Å²	76.4	69%	0.694	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-9.1	171.8	-73.4	-8.1	0	0	0	113.9	E517 T522	E517-H519 PolarHBondContact O-N 3.49Å; H519-T522 PolarHBondContact O-OG1 2.82Å
520	S	45.3	Very low	57.2	Low	27 Å²	27	85.4 Å²	85.4	19%	0.189	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-3	177.4	78.6	0	0	0	0	114.5	E517 L518 T522	E517-S520 WeakPolarHBondContact O-CA 3.45Å; E517-S520 WeakPolarHBondContact O-CB 3.4Å; E517-S520 PolarHBondContact O-N 2.69Å; E517-S520 PolarHBondContact O-OG 2.81Å; L518-S520 PolarHBondContact O-N 2.72Å; S520-T522 CarbonylContact C-O 3.38Å
521	Q	39.7	Very low	55.7	Low	162 Å²	162	91 Å²	91	76%	0.757	46%	0.455	S	S	*	.	S	Bend	trans	-70.6	-25.9	169.3	-69.8	-169.8	7.7	0	0	111.5	E517 L518	E517-Q521 PolarHBondContact O-N 3Å; L518-Q521 PolarHBondContact O-N 3.05Å
522	T	38.8	Very low	54.4	Low	89 Å²	89	92.5 Å²	92.5	55%	0.546	47%	0.468	S	S	.	.	S	Bend	trans	-73.9	139	159.3	55.7	0	0	0	0	107.1	H519 S520 Y524	H519-T522 PolarHBondContact O-OG1 2.82Å; S520-T522 CarbonylContact C-O 3.38Å; T522-Y524 PolarHBondContact O-N 3.45Å
523	E	44.2	Very low	53.6	Low	202 Å²	202	96 Å²	96	94%	0.944	49%	0.494	S	S	*	.			trans	-64.9	50.5	-174.7	-151.7	171.5	-152	0	0	112.8	S525	E523-S525 PolarHBondContact O-N 3.29Å
524	Y	44.6	Very low	53.5	Low	152 Å²	152	96.3 Å²	96.3	60%	0.596	50%	0.496	S	S	*	.			trans	-89.2	94.8	-170.6	-149.2	-79.5	0	0	0	108.8	T522 L526 N554	T522-Y524 PolarHBondContact O-N 3.45Å; Y524-L526 PolarHBondContact O-N 3.12Å; Y524-N554 PolarHBondContact O-ND2 3.26Å
525	S	53.4	Low	53.9	Low	78 Å²	78	97.4 Å²	97.4	55%	0.545	51%	0.506	S	S	.	.			trans	-45.9	129.4	173	-170.1	0	0	0	0	110.2	E523 E527	E523-S525 PolarHBondContact O-N 3.29Å; S525-E527 PolarHBondContact O-N 2.97Å
526	L	59.9	Low	55.2	Low	30 Å²	30	94.5 Å²	94.5	16%	0.157	49%	0.49	C	S	.	.			trans	-58	102.8	174.7	-149.2	93.5	0	0	0	108.6	Y524 C528 L540 N554	Y524-L526 PolarHBondContact O-N 3.12Å; L526-C528 PolarHBondContact O-N 3.31Å; L526-C528 VanDerWaalsContact O-N 3.15Å; L526-L540 HydrophobicContact CD1-CB 4.23Å; L526-L540 HydrophobicContact CD1-CD1 3.68Å; L526-L540 HydrophobicContact CD2-CB 3.62Å; L526-N554 PolarHBondContact N-OD1 3.19Å
527	E	61.8	Low	56.5	Low	116 Å²	116	95 Å²	95	54%	0.542	49%	0.492	S	S	.	.			trans	-82.4	90.9	175.1	-76.4	-170.8	167.3	0	0	108.8	S525 K529	S525-E527 PolarHBondContact O-N 2.97Å; E527-K529 PolarHBondContact O-N 3.29Å; E527-K529 WeakPolarHBondContact OE2-CE 3.3Å; E527-K529 IonicContact OE2-NZ 2.62Å; E527-K529 PolarHBondContact OE2-NZ 3.03Å
528	C	68.1	Low	58.4	Low	59 Å²	59	95.5 Å²	95.5	40%	0.399	50%	0.5	S	S	.	.			trans	-68	82.2	170.7	-67.9	0	0	0	0	111	L526 C541	L526-C528 PolarHBondContact O-N 3.31Å; L526-C528 VanDerWaalsContact O-N 3.15Å; C528-C541 WeakPolarHBondContact CA-SG 3.39Å; C528-C541 HydrophobicContact CB-CB 3.85Å; C528-C541 WeakPolarHBondContact CB-SG 3.16Å; C528-C541 WeakPolarHBondContact SG-CA 3.4Å; C528-C541 WeakPolarHBondContact SG-CB 3.3Å; C528-C541 CovalentContact SG-SG 2.04Å; C528-C541 PolarHBondContact SG-SG 3.07Å
529	K	62.1	Low	60.6	Low	137 Å²	137	90.9 Å²	90.9	60%	0.596	48%	0.476	S	S	*	.			trans	-72.4	150.8	169	-68.7	175.1	-178.2	155.7	0	108.8	E527 N531 A532	E527-K529 PolarHBondContact O-N 3.29Å; E527-K529 WeakPolarHBondContact OE2-CE 3.3Å; E527-K529 IonicContact OE2-NZ 2.62Å; E527-K529 PolarHBondContact OE2-NZ 3.03Å; K529-N531 CarbonylContact O-C 3.49Å; K529-N531 PolarHBondContact O-N 3.05Å; K529-A532 PolarHBondContact O-N 3Å
530	Q	58.9	Low	62.6	Low	202 Å²	202	83.8 Å²	83.8	94%	0.944	44%	0.443	S	S	*	.	S	Bend	trans	-54.8	-23.3	177.7	-72.3	-177.2	-12.7	0	0	113.1
531	N	55.8	Low	64.5	Low	141 Å²	141	83.1 Å²	83.1	75%	0.754	44%	0.438	S	S	*	.	S	Bend	trans	-114.5	89.7	171.1	-60.9	-10	0	0	0	108.7	K529	K529-N531 CarbonylContact O-C 3.49Å; K529-N531 PolarHBondContact O-N 3.05Å
532	A	57.4	Low	66.8	Low	35 Å²	35	75.7 Å²	75.7	29%	0.289	40%	0.404	S	S	.	.			trans	-61.2	136.9	166.7	0	0	0	0	0	109.4	K529 T534 E537 S538	K529-A532 PolarHBondContact O-N 3Å; A532-T534 VanDerWaalsContact C-N 3.35Å; A532-E537 HydrophobicContact CB-CB 3.98Å; A532-S538 VanDerWaalsContact CB-OG 3.24Å; A532-S538 WeakPolarHBondContact CB-OG 3.36Å
533	S	65.9	Low	69.1	Low	100 Å²	100	71.4 Å²	71.4	70%	0.699	38%	0.378	S	S	*	.	S	Bend	trans	-79.2	-24.8	-170.9	-40.6	0	0	0	0	111.9	E537	S533-E537 WeakPolarHBondContact CA-OE2 3.39Å; S533-E537 WeakPolarHBondContact CB-OE2 3.37Å; S533-E537 PolarHBondContact N-OE2 3.13Å; S533-E537 PolarHBondContact OG-OE2 3.07Å
534	T	73.2	Confident	70.8	Confident	27 Å²	27	63 Å²	63	17%	0.166	34%	0.342	C	S	.	.	S	Bend	trans	-133.3	154.9	-178.6	68.2	0	0	0	0	111.7	A532 F536 E537 S538	A532-T534 VanDerWaalsContact C-N 3.35Å; T534-F536 PolarHBondContact O-N 2.76Å; T534-E537 PolarHBondContact O-N 2.9Å; T534-E537 WeakPolarHBondContact OG1-CG 3.44Å; T534-E537 PolarHBondContact OG1-N 3.08Å; T534-E537 VanDerWaalsContact OG1-N 3.12Å; T534-S538 PolarHBondContact O-N 3.44Å; T534-S538 PolarHBondContact O-OG 3.5Å
535	P	75.5	Confident	72.6	Confident	66 Å²	66	61.8 Å²	61.8	43%	0.429	34%	0.342	S	S	.	.	H	α-helix	trans	-55.5	-34.1	172.2	-26.3	35	0	0	0	112.5	S538 Q539 L652	P535-S538 WeakPolarHBondContact O-CB 3.48Å; P535-S538 PolarHBondContact O-N 2.76Å; P535-Q539 PolarHBondContact O-N 2.93Å; P535-L652 HydrophobicContact CB-CD1 4.26Å
536	F	79.2	Confident	73.9	Confident	9 Å²	9	61 Å²	61	4%	0.039	33%	0.329	C	S	.	.	H	α-helix	trans	-68	-47.5	177.8	-179.3	-100.3	0	0	0	112.6	L513 Q516 T534 S538 Q539 L540 Y558 S561 L652	L513-F536 HydrophobicContact CD1-CD2 3.83Å; L513-F536 HydrophobicContact CD1-CE2 3.52Å; L513-F536 HydrophobicContact CD1-CZ 4.37Å; L513-F536 HydrophobicContact CD2-CD2 3.85Å; L513-F536 HydrophobicContact CD2-CE2 4.27Å; L513-F536 HydrophobicContact CD2-CG 4.29Å; L513-F536 HydrophobicContact CG-CD2 4.43Å; L513-F536 HydrophobicContact CG-CE2 4.38Å; Q516-F536 HydrophobicContact CB-CD1 4.41Å; Q516-F536 HydrophobicContact CB-CE1 4.29Å; T534-F536 PolarHBondContact O-N 2.76Å; F536-S538 PolarHBondContact O-N 3.44Å; F536-Q539 WeakPolarHBondContact O-CB 3.37Å; F536-Q539 PolarHBondContact O-N 3.28Å; F536-Q539 VanDerWaalsContact O-N 3.11Å; F536-L540 HydrophobicContact CD1-CD1 4.03Å; F536-L540 HydrophobicContact CD1-CG 4.32Å; F536-L540 HydrophobicContact CE1-CD1 3.32Å; F536-L540 HydrophobicContact CE1-CD2 4.34Å; F536-L540 HydrophobicContact CE1-CG 3.83Å; F536-L540 HydrophobicContact CE2-CD2 4.24Å; F536-L540 HydrophobicContact CE2-CG 4.34Å; F536-L540 HydrophobicContact CZ-CD1 3.67Å; F536-L540 HydrophobicContact CZ-CD2 3.85Å; F536-L540 HydrophobicContact CZ-CG 3.84Å; F536-L540 WeakPolarHBondContact O-CG 3.47Å; F536-L540 PolarHBondContact O-N 3.22Å; F536-Y558 AromaticContact CE1-CD1 3.65Å; F536-Y558 HydrophobicContact CE1-CD1 3.65Å; F536-Y558 AromaticContact CE1-CE1 3.3Å; F536-Y558 HydrophobicContact CE1-CE1 3.3Å; F536-Y558 AromaticContact CZ-CD1 3.37Å; F536-Y558 HydrophobicContact CZ-CD1 3.37Å; F536-Y558 AromaticContact CZ-CE1 3.59Å; F536-Y558 HydrophobicContact CZ-CE1 3.59Å; F536-Y558 HydrophobicContact CZ-CG 4.32Å; F536-S561 WeakPolarHBondContact CE2-OG 3.3Å; F536-L652 HydrophobicContact CB-CD1 3.95Å; F536-L652 HydrophobicContact CD2-CD1 4.17Å
537	E	78.4	Confident	74.5	Confident	70 Å²	70	60.3 Å²	60.3	33%	0.327	33%	0.326	S	S	.	.	H	α-helix	trans	-56.8	-38.9	171.1	-76.2	169.9	-161	0	0	111.6	A532 S533 T534 Q539 L540 C541	A532-E537 HydrophobicContact CB-CB 3.98Å; S533-E537 WeakPolarHBondContact CA-OE2 3.39Å; S533-E537 WeakPolarHBondContact CB-OE2 3.37Å; S533-E537 PolarHBondContact N-OE2 3.13Å; S533-E537 PolarHBondContact OG-OE2 3.07Å; T534-E537 PolarHBondContact O-N 2.9Å; T534-E537 WeakPolarHBondContact OG1-CG 3.44Å; T534-E537 PolarHBondContact OG1-N 3.08Å; T534-E537 VanDerWaalsContact OG1-N 3.12Å; E537-Q539 VanDerWaalsContact C-N 3.35Å; E537-Q539 PolarHBondContact O-N 2.76Å; E537-L540 PolarHBondContact O-N 2.92Å; E537-C541 WeakPolarHBondContact O-CB 3.47Å; E537-C541 PolarHBondContact O-N 2.92Å; E537-C541 PolarHBondContact O-SG 3.38Å; E537-C541 VanDerWaalsContact O-SG 3.38Å
538	S	82.8	Confident	74.7	Confident	53 Å²	53	58.7 Å²	58.7	37%	0.371	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-41.4	176.9	-53.8	0	0	0	0	111.9	A532 T534 P535 F536 C542	A532-S538 VanDerWaalsContact CB-OG 3.24Å; A532-S538 WeakPolarHBondContact CB-OG 3.36Å; T534-S538 PolarHBondContact O-N 3.44Å; T534-S538 PolarHBondContact O-OG 3.5Å; P535-S538 WeakPolarHBondContact O-CB 3.48Å; P535-S538 PolarHBondContact O-N 2.76Å; F536-S538 PolarHBondContact O-N 3.44Å; S538-C542 WeakPolarHBondContact O-CB 3.41Å; S538-C542 PolarHBondContact O-N 3.03Å
539	Q	86.6	Confident	74.2	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.014	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-48.2	174.8	-170.8	-173.9	28.4	0	0	110.9	P535 F536 E537 C541 C542 L543 S561 N565 C650	P535-Q539 PolarHBondContact O-N 2.93Å; F536-Q539 WeakPolarHBondContact O-CB 3.37Å; F536-Q539 PolarHBondContact O-N 3.28Å; F536-Q539 VanDerWaalsContact O-N 3.11Å; E537-Q539 VanDerWaalsContact C-N 3.35Å; E537-Q539 PolarHBondContact O-N 2.76Å; Q539-C541 VanDerWaalsContact C-N 3.28Å; Q539-C541 PolarHBondContact O-N 2.79Å; Q539-C542 WeakPolarHBondContact O-CB 3.14Å; Q539-C542 PolarHBondContact O-N 3.23Å; Q539-C542 VanDerWaalsContact O-N 3.1Å; Q539-L543 HydrophobicContact CG-CD1 4.27Å; Q539-L543 HydrophobicContact CG-CG 4.48Å; Q539-L543 WeakPolarHBondContact O-CG 3.41Å; Q539-L543 PolarHBondContact O-N 2.78Å; Q539-S561 PolarHBondContact OE1-OG 3.02Å; Q539-N565 PolarHBondContact NE2-ND2 3.23Å; Q539-N565 PolarHBondContact NE2-OD1 3.18Å; Q539-N565 VanDerWaalsContact NE2-OD1 3.14Å; Q539-N565 PolarHBondContact OE1-ND2 3.47Å; Q539-C650 WeakPolarHBondContact CG-O 3.21Å; Q539-C650 PolarHBondContact NE2-O 2.57Å
540	L	84.1	Confident	73.9	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-59.8	-39.9	179.6	-65.8	-173.1	0	0	0	112	L526 F536 E537 L543 S544 F557 Y558	L526-L540 HydrophobicContact CD1-CB 4.23Å; L526-L540 HydrophobicContact CD1-CD1 3.68Å; L526-L540 HydrophobicContact CD2-CB 3.62Å; F536-L540 HydrophobicContact CD1-CD1 4.03Å; F536-L540 HydrophobicContact CD1-CG 4.32Å; F536-L540 HydrophobicContact CE1-CD1 3.32Å; F536-L540 HydrophobicContact CE1-CD2 4.34Å; F536-L540 HydrophobicContact CE1-CG 3.83Å; F536-L540 HydrophobicContact CE2-CD2 4.24Å; F536-L540 HydrophobicContact CE2-CG 4.34Å; F536-L540 HydrophobicContact CZ-CD1 3.67Å; F536-L540 HydrophobicContact CZ-CD2 3.85Å; F536-L540 HydrophobicContact CZ-CG 3.84Å; F536-L540 WeakPolarHBondContact O-CG 3.47Å; F536-L540 PolarHBondContact O-N 3.22Å; E537-L540 PolarHBondContact O-N 2.92Å; L540-L543 PolarHBondContact O-N 2.92Å; L540-S544 PolarHBondContact O-N 3Å; L540-F557 HydrophobicContact CD2-CB 3.91Å; L540-Y558 HydrophobicContact CD1-CD1 4.24Å; L540-Y558 HydrophobicContact CD1-CD2 4.4Å; L540-Y558 HydrophobicContact CD1-CE1 3.89Å; L540-Y558 HydrophobicContact CD1-CE2 3.98Å; L540-Y558 HydrophobicContact CD1-CG 4.46Å
541	C	84.5	Confident	73.8	Confident	13 Å²	13	54 Å²	54	9%	0.088	30%	0.304	C	S	.	.	H	α-helix	trans	-68.2	-35.8	174.6	-73	0	0	0	0	113.6	C528 E537 Q539 L543 S544 E545	C528-C541 WeakPolarHBondContact CA-SG 3.39Å; C528-C541 HydrophobicContact CB-CB 3.85Å; C528-C541 WeakPolarHBondContact CB-SG 3.16Å; C528-C541 WeakPolarHBondContact SG-CA 3.4Å; C528-C541 WeakPolarHBondContact SG-CB 3.3Å; C528-C541 CovalentContact SG-SG 2.04Å; C528-C541 PolarHBondContact SG-SG 3.07Å; E537-C541 WeakPolarHBondContact O-CB 3.47Å; E537-C541 PolarHBondContact O-N 2.92Å; E537-C541 PolarHBondContact O-SG 3.38Å; E537-C541 VanDerWaalsContact O-SG 3.38Å; Q539-C541 VanDerWaalsContact C-N 3.28Å; Q539-C541 PolarHBondContact O-N 2.79Å; C541-L543 VanDerWaalsContact C-N 3.33Å; C541-S544 PolarHBondContact O-OG 3.39Å; C541-E545 WeakPolarHBondContact O-CG 3.29Å; C541-E545 PolarHBondContact O-N 3.46Å
542	C	88	Confident	73.6	Confident	6 Å²	6	51.7 Å²	51.7	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-43	171.2	-176.4	0	0	0	0	111.2	S538 Q539 E545 Q546 C650	S538-C542 WeakPolarHBondContact O-CB 3.41Å; S538-C542 PolarHBondContact O-N 3.03Å; Q539-C542 WeakPolarHBondContact O-CB 3.14Å; Q539-C542 PolarHBondContact O-N 3.23Å; Q539-C542 VanDerWaalsContact O-N 3.1Å; C542-E545 PolarHBondContact O-N 3.24Å; C542-Q546 PolarHBondContact O-N 3.15Å; C542-C650 HydrophobicContact CB-CB 3.61Å; C542-C650 WeakPolarHBondContact CB-SG 3.44Å; C542-C650 PolarHBondContact O-SG 3.25Å; C542-C650 WeakPolarHBondContact SG-CA 3.01Å; C542-C650 WeakPolarHBondContact SG-CB 3.26Å; C542-C650 CovalentContact SG-SG 2.04Å; C542-C650 PolarHBondContact SG-SG 3.07Å
543	L	86.7	Confident	73.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-42.1	179.5	-68.6	174.4	0	0	0	111.6	Q539 L540 C541 E545 Q546 I547 F557 L560 I564 C650	Q539-L543 HydrophobicContact CG-CD1 4.27Å; Q539-L543 HydrophobicContact CG-CG 4.48Å; Q539-L543 WeakPolarHBondContact O-CG 3.41Å; Q539-L543 PolarHBondContact O-N 2.78Å; L540-L543 PolarHBondContact O-N 2.92Å; C541-L543 VanDerWaalsContact C-N 3.33Å; L543-E545 VanDerWaalsContact C-N 3.26Å; L543-E545 PolarHBondContact O-N 2.98Å; L543-Q546 PolarHBondContact O-N 3.24Å; L543-I547 HydrophobicContact CB-CD1 4.12Å; L543-I547 WeakPolarHBondContact O-CD1 3.31Å; L543-I547 WeakPolarHBondContact O-CG1 3.37Å; L543-I547 PolarHBondContact O-N 2.87Å; L543-F557 HydrophobicContact CB-CD1 4.29Å; L543-L560 HydrophobicContact CD1-CB 4.41Å; L543-L560 HydrophobicContact CD1-CD2 4.18Å; L543-L560 HydrophobicContact CD1-CG 4.24Å; L543-L560 HydrophobicContact CD2-CD2 3.75Å; L543-L560 HydrophobicContact CD2-CG 4.35Å; L543-L560 HydrophobicContact CG-CD2 4.43Å; L543-I564 HydrophobicContact CD1-CD1 4.31Å; L543-I564 HydrophobicContact CD2-CD1 3.68Å; L543-C650 HydrophobicContact CD2-CB 3.47Å; L543-C650 VanDerWaalsContact CD2-CB 3.47Å; L543-C650 HydrophobicContact CG-CB 3.83Å
544	S	80.7	Confident	73.4	Confident	25 Å²	25	49.8 Å²	49.8	18%	0.175	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-29.6	179.5	69.4	0	0	0	0	113.5	L540 C541	L540-S544 PolarHBondContact O-N 3Å; C541-S544 PolarHBondContact O-OG 3.39Å
545	E	81.8	Confident	72.9	Confident	127 Å²	127	55.1 Å²	55.1	59%	0.593	29%	0.293	S	S	*	.	H	α-helix	trans	-72.8	-25.5	173.7	-72	174.3	-171.9	0	0	113.4	C541 C542 L543 R648	C541-E545 WeakPolarHBondContact O-CG 3.29Å; C541-E545 PolarHBondContact O-N 3.46Å; C542-E545 PolarHBondContact O-N 3.24Å; L543-E545 VanDerWaalsContact C-N 3.26Å; L543-E545 PolarHBondContact O-N 2.98Å; E545-R648 IonicContact OE2-CZ 2.73Å; E545-R648 IonicContact OE2-NH1 2.7Å; E545-R648 PolarHBondContact OE2-NH1 2.66Å; E545-R648 IonicContact OE2-NH2 3.82Å
546	Q	80.9	Confident	72.8	Confident	61 Å²	61	53.1 Å²	53.1	29%	0.285	28%	0.278	S	S	.	.	H	α-helix	trans	-101	-5.7	-173.8	-65.5	-168	15.9	0	0	114.3	C542 L543 H628 R648 C650	C542-Q546 PolarHBondContact O-N 3.15Å; L543-Q546 PolarHBondContact O-N 3.24Å; Q546-H628 PolarHBondContact OE1-CE1 3.02Å; Q546-H628 VanDerWaalsContact OE1-CE1 3.27Å; Q546-R648 PolarHBondContact NE2-O 2.81Å; Q546-C650 VanDerWaalsContact CD-SG 3.55Å; Q546-C650 PolarHBondContact NE2-SG 3.19Å; Q546-C650 VanDerWaalsContact NE2-SG 3.38Å
547	I	73	Confident	72.7	Confident	16 Å²	16	52.7 Å²	52.7	8%	0.082	28%	0.276	C	S	.	.	S	Bend	trans	-116.9	151.8	-175.9	-66.1	158.7	0	0	0	109.2	L543 P549 I551 F557 L560 F620	L543-I547 HydrophobicContact CB-CD1 4.12Å; L543-I547 WeakPolarHBondContact O-CD1 3.31Å; L543-I547 WeakPolarHBondContact O-CG1 3.37Å; L543-I547 PolarHBondContact O-N 2.87Å; I547-P549 WeakPolarHBondContact O-CD 3.28Å; I547-I551 HydrophobicContact CG2-CD1 3.86Å; I547-F557 HydrophobicContact CB-CE1 3.96Å; I547-F557 HydrophobicContact CD1-CD1 3.94Å; I547-F557 HydrophobicContact CD1-CE1 3.72Å; I547-F557 HydrophobicContact CG1-CE1 4.46Å; I547-F557 HydrophobicContact CG2-CE1 4Å; I547-L560 HydrophobicContact CD1-CD2 3.37Å; I547-F620 HydrophobicContact CD1-CE1 3.57Å; I547-F620 HydrophobicContact CD1-CZ 3.97Å; I547-F620 HydrophobicContact CG1-CE1 4.22Å; I547-F620 HydrophobicContact CG2-CE1 4.17Å
548	N	65.6	Low	72.7	Confident	81 Å²	81	50.5 Å²	50.5	43%	0.433	27%	0.265	S	S	.	.			trans	-54.9	122.4	-177.4	-175.9	4.1	0	0	0	111.2	E550 I551	N548-E550 PolarHBondContact ND2-OE2 3.41Å; N548-E550 PolarHBondContact O-N 3.45Å; N548-E550 VanDerWaalsContact O-N 3.11Å; N548-E550 PolarHBondContact OD1-N 2.7Å; N548-I551 HydrophobicContact CB-CD1 4.26Å; N548-I551 HydrophobicContact CB-CG1 4.45Å; N548-I551 PolarHBondContact O-N 2.61Å
549	P	56.9	Low	72.5	Confident	97 Å²	97	50.2 Å²	50.2	63%	0.63	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.4	-178.7	23.4	-35	0	0	0	114.8	I547 I551	I547-P549 WeakPolarHBondContact O-CD 3.28Å; P549-I551 PolarHBondContact O-N 2.79Å
550	E	55.8	Low	72.5	Confident	165 Å²	165	50 Å²	50	77%	0.771	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-4.3	178	-64.3	-178.2	155.7	0	0	114.4	N548	N548-E550 PolarHBondContact ND2-OE2 3.41Å; N548-E550 PolarHBondContact O-N 3.45Å; N548-E550 VanDerWaalsContact O-N 3.11Å; N548-E550 PolarHBondContact OD1-N 2.7Å
551	I	56.7	Low	72.6	Confident	38 Å²	38	50 Å²	50	20%	0.195	26%	0.255	C	S	.	.	S	Bend	trans	-92.2	125.3	-177	-58.8	175.5	0	0	0	109.9	I547 N548 P549 Q553 I556	I547-I551 HydrophobicContact CG2-CD1 3.86Å; N548-I551 HydrophobicContact CB-CD1 4.26Å; N548-I551 HydrophobicContact CB-CG1 4.45Å; N548-I551 PolarHBondContact O-N 2.61Å; P549-I551 PolarHBondContact O-N 2.79Å; I551-Q553 WeakPolarHBondContact O-CA 3.47Å; I551-Q553 WeakPolarHBondContact O-CG 3.41Å; I551-Q553 PolarHBondContact O-N 3.49Å; I551-Q553 VanDerWaalsContact O-N 3.16Å; I551-I556 HydrophobicContact CG2-CB 4.46Å; I551-I556 HydrophobicContact CG2-CD1 3.36Å; I551-I556 HydrophobicContact CG2-CG1 4.47Å; I551-I556 HydrophobicContact CG2-CG2 3.96Å
552	P	52.6	Low	72.8	Confident	93 Å²	93	49.5 Å²	49.5	60%	0.604	25%	0.252	S	S	*	.			trans	-54.3	119.6	175.6	-24.8	33.3	0	0	0	111.8	I556	P552-I556 WeakPolarHBondContact O-CD1 3.41Å
553	Q	57.5	Low	72.9	Confident	68 Å²	68	49.3 Å²	49.3	32%	0.318	25%	0.25	S	C	.	.	H	α-helix	trans	-83.5	-47.8	-140.2	-76.7	-174.3	0.1	0	0	115.4	I551 F557	I551-Q553 WeakPolarHBondContact O-CA 3.47Å; I551-Q553 WeakPolarHBondContact O-CG 3.41Å; I551-Q553 PolarHBondContact O-N 3.49Å; I551-Q553 VanDerWaalsContact O-N 3.16Å; Q553-F557 HydrophobicContact CB-CD2 4.04Å; Q553-F557 HydrophobicContact CB-CE2 3.47Å; Q553-F557 VanDerWaalsContact CB-CE2 3.47Å; Q553-F557 HydrophobicContact CB-CZ 4.31Å; Q553-F557 HydrophobicContact CG-CE2 3.71Å; Q553-F557 HydrophobicContact CG-CZ 4.15Å; Q553-F557 WeakPolarHBondContact O-CD2 3.43Å; Q553-F557 WeakPolarHBondContact O-CE2 3.38Å; Q553-F557 VanDerWaalsContact O-CG 3.25Å; Q553-F557 WeakPolarHBondContact O-CG 3.46Å; Q553-F557 PolarHBondContact O-N 3.48Å
554	N	61.8	Low	73.2	Confident	26 Å²	26	49.3 Å²	49.3	14%	0.139	25%	0.25	C	S	.	.	H	α-helix	trans	-70.7	-65.6	-158.9	-60.7	-13.7	0	0	0	113.5	Y524 L526 I556 F557 Y558	Y524-N554 PolarHBondContact O-ND2 3.26Å; L526-N554 PolarHBondContact N-OD1 3.19Å; N554-I556 PolarHBondContact O-N 3.25Å; N554-F557 PolarHBondContact O-N 3.29Å; N554-Y558 HydrophobicContact CB-CE2 4.18Å; N554-Y558 WeakPolarHBondContact O-CD2 3.45Å; N554-Y558 PolarHBondContact O-N 3.21Å; N554-Y558 VanDerWaalsContact O-N 3.15Å
555	K	61.9	Low	73.8	Confident	140 Å²	140	48.7 Å²	48.7	61%	0.609	25%	0.245	S	C	*	.	H	α-helix	trans	-54.5	-32.5	-173.2	-170.6	174.9	-174.6	179.3	0	112.7	R559	K555-R559 WeakPolarHBondContact O-CD 3.42Å; K555-R559 VanDerWaalsContact O-CG 3.26Å; K555-R559 WeakPolarHBondContact O-CG 3.45Å; K555-R559 PolarHBondContact O-N 3.12Å
556	I	72.9	Confident	74.4	Confident	23 Å²	23	42.7 Å²	42.7	12%	0.118	22%	0.217	C	C	.	.	H	α-helix	trans	-67.6	-52	176.8	-72.3	-178.6	0	0	0	109.4	I551 P552 N554 Y558 R559 L560 F620	I551-I556 HydrophobicContact CG2-CB 4.46Å; I551-I556 HydrophobicContact CG2-CD1 3.36Å; I551-I556 HydrophobicContact CG2-CG1 4.47Å; I551-I556 HydrophobicContact CG2-CG2 3.96Å; P552-I556 WeakPolarHBondContact O-CD1 3.41Å; N554-I556 PolarHBondContact O-N 3.25Å; I556-Y558 PolarHBondContact O-N 2.81Å; I556-R559 WeakPolarHBondContact O-CB 3.33Å; I556-R559 PolarHBondContact O-N 3.16Å; I556-R559 VanDerWaalsContact O-N 3.09Å; I556-L560 PolarHBondContact O-N 3.12Å; I556-L560 VanDerWaalsContact O-N 3.08Å; I556-F620 HydrophobicContact CB-CE2 4.29Å; I556-F620 HydrophobicContact CG2-CD2 4.33Å; I556-F620 HydrophobicContact CG2-CE1 4.33Å; I556-F620 HydrophobicContact CG2-CE2 3.17Å; I556-F620 HydrophobicContact CG2-CZ 3.21Å; I556-F620 VanDerWaalsContact O-CE2 3.23Å; I556-F620 WeakPolarHBondContact O-CE2 3.38Å
557	F	77.7	Confident	75.1	Confident	1 Å²	1	39.9 Å²	39.9	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-36.5	179.2	-60.3	-44	0	0	0	114.6	L540 L543 I547 Q553 N554 R559 L560 S561 F620	L540-F557 HydrophobicContact CD2-CB 3.91Å; L543-F557 HydrophobicContact CB-CD1 4.29Å; I547-F557 HydrophobicContact CB-CE1 3.96Å; I547-F557 HydrophobicContact CD1-CD1 3.94Å; I547-F557 HydrophobicContact CD1-CE1 3.72Å; I547-F557 HydrophobicContact CG1-CE1 4.46Å; I547-F557 HydrophobicContact CG2-CE1 4Å; Q553-F557 HydrophobicContact CB-CD2 4.04Å; Q553-F557 HydrophobicContact CB-CE2 3.47Å; Q553-F557 VanDerWaalsContact CB-CE2 3.47Å; Q553-F557 HydrophobicContact CB-CZ 4.31Å; Q553-F557 HydrophobicContact CG-CE2 3.71Å; Q553-F557 HydrophobicContact CG-CZ 4.15Å; Q553-F557 WeakPolarHBondContact O-CD2 3.43Å; Q553-F557 WeakPolarHBondContact O-CE2 3.38Å; Q553-F557 VanDerWaalsContact O-CG 3.25Å; Q553-F557 WeakPolarHBondContact O-CG 3.46Å; Q553-F557 PolarHBondContact O-N 3.48Å; N554-F557 PolarHBondContact O-N 3.29Å; F557-R559 VanDerWaalsContact C-N 3.31Å; F557-R559 PolarHBondContact O-N 2.96Å; F557-L560 PolarHBondContact O-N 3.11Å; F557-S561 WeakPolarHBondContact O-CB 3.35Å; F557-S561 PolarHBondContact O-N 3.46Å; F557-F620 HydrophobicContact CD1-CZ 4.34Å
558	Y	77.8	Confident	76.2	Confident	23 Å²	23	41 Å²	41	9%	0.09	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-41.4	173.5	-74.4	-91.8	0	0	0	112.1	Q516 E517 F536 L540 N554 I556 S561 S562	Q516-Y558 HydrophobicContact CB-CE1 4.39Å; Q516-Y558 PolarHBondContact O-OH 2.96Å; E517-Y558 HydrophobicContact CG-CD1 3.46Å; E517-Y558 VanDerWaalsContact CG-CD1 3.46Å; E517-Y558 HydrophobicContact CG-CE1 4.03Å; E517-Y558 HydrophobicContact CG-CG 3.92Å; F536-Y558 AromaticContact CE1-CD1 3.65Å; F536-Y558 HydrophobicContact CE1-CD1 3.65Å; F536-Y558 AromaticContact CE1-CE1 3.3Å; F536-Y558 HydrophobicContact CE1-CE1 3.3Å; F536-Y558 AromaticContact CZ-CD1 3.37Å; F536-Y558 HydrophobicContact CZ-CD1 3.37Å; F536-Y558 AromaticContact CZ-CE1 3.59Å; F536-Y558 HydrophobicContact CZ-CE1 3.59Å; F536-Y558 HydrophobicContact CZ-CG 4.32Å; L540-Y558 HydrophobicContact CD1-CD1 4.24Å; L540-Y558 HydrophobicContact CD1-CD2 4.4Å; L540-Y558 HydrophobicContact CD1-CE1 3.89Å; L540-Y558 HydrophobicContact CD1-CE2 3.98Å; L540-Y558 HydrophobicContact CD1-CG 4.46Å; N554-Y558 HydrophobicContact CB-CE2 4.18Å; N554-Y558 WeakPolarHBondContact O-CD2 3.45Å; N554-Y558 PolarHBondContact O-N 3.21Å; N554-Y558 VanDerWaalsContact O-N 3.15Å; I556-Y558 PolarHBondContact O-N 2.81Å; Y558-S561 PolarHBondContact O-N 3.32Å; Y558-S562 PolarHBondContact O-N 3.22Å; Y558-S562 PolarHBondContact O-OG 3.24Å; Y558-S562 VanDerWaalsContact O-OG 3.09Å
559	R	79.2	Confident	77.7	Confident	47 Å²	47	37.4 Å²	37.4	18%	0.177	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-45.5	177.4	-70	166.8	174.6	-150.4	-11.6	111.8	K555 I556 F557 S561 S562 D563 D608 E619	K555-R559 WeakPolarHBondContact O-CD 3.42Å; K555-R559 VanDerWaalsContact O-CG 3.26Å; K555-R559 WeakPolarHBondContact O-CG 3.45Å; K555-R559 PolarHBondContact O-N 3.12Å; I556-R559 WeakPolarHBondContact O-CB 3.33Å; I556-R559 PolarHBondContact O-N 3.16Å; I556-R559 VanDerWaalsContact O-N 3.09Å; F557-R559 VanDerWaalsContact C-N 3.31Å; F557-R559 PolarHBondContact O-N 2.96Å; R559-S561 VanDerWaalsContact C-N 3.34Å; R559-S561 PolarHBondContact O-N 2.81Å; R559-S562 WeakPolarHBondContact O-CB 3.36Å; R559-S562 PolarHBondContact O-N 2.82Å; R559-D563 PolarHBondContact O-N 3.32Å; R559-D608 WeakPolarHBondContact CD-OD2 3.35Å; R559-D608 IonicContact CZ-OD2 2.7Å; R559-D608 IonicContact NE-OD2 3.88Å; R559-D608 PolarHBondContact NE-OD2 3.47Å; R559-D608 IonicContact NH1-OD2 2.88Å; R559-D608 PolarHBondContact NH1-OD2 3.16Å; R559-D608 IonicContact NH2-OD2 2.79Å; R559-D608 PolarHBondContact NH2-OD2 3.5Å; R559-E619 IonicContact NH1-OE1 3.89Å; R559-E619 PolarHBondContact NH1-OE1 3.44Å
560	L	85.5	Confident	79.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-43.1	176.2	-177.7	54.7	0	0	0	112.4	L543 I547 I556 F557 S562 D563 I564 F620 D624 V625	L543-L560 HydrophobicContact CD1-CB 4.41Å; L543-L560 HydrophobicContact CD1-CD2 4.18Å; L543-L560 HydrophobicContact CD1-CG 4.24Å; L543-L560 HydrophobicContact CD2-CD2 3.75Å; L543-L560 HydrophobicContact CD2-CG 4.35Å; L543-L560 HydrophobicContact CG-CD2 4.43Å; I547-L560 HydrophobicContact CD1-CD2 3.37Å; I556-L560 PolarHBondContact O-N 3.12Å; I556-L560 VanDerWaalsContact O-N 3.08Å; F557-L560 PolarHBondContact O-N 3.11Å; L560-S562 VanDerWaalsContact C-N 3.26Å; L560-S562 PolarHBondContact O-N 3.31Å; L560-D563 WeakPolarHBondContact O-CB 3.39Å; L560-D563 PolarHBondContact O-N 3.42Å; L560-D563 VanDerWaalsContact O-N 3.12Å; L560-I564 HydrophobicContact CD1-CD1 3.84Å; L560-I564 HydrophobicContact CD1-CG1 3.87Å; L560-I564 HydrophobicContact CD2-CD1 4.16Å; L560-I564 HydrophobicContact CG-CD1 3.6Å; L560-I564 HydrophobicContact CG-CG1 4.13Å; L560-I564 WeakPolarHBondContact O-CG1 3.21Å; L560-I564 PolarHBondContact O-N 2.92Å; L560-F620 HydrophobicContact CB-CD1 4.39Å; L560-F620 HydrophobicContact CB-CD2 3.51Å; L560-F620 HydrophobicContact CB-CE1 4.3Å; L560-F620 HydrophobicContact CB-CE2 3.41Å; L560-F620 VanDerWaalsContact CB-CE2 3.41Å; L560-F620 HydrophobicContact CB-CG 3.99Å; L560-F620 HydrophobicContact CB-CZ 3.77Å; L560-F620 HydrophobicContact CD1-CB 3.86Å; L560-F620 HydrophobicContact CD1-CD1 4.02Å; L560-F620 HydrophobicContact CD1-CD2 4.06Å; L560-F620 HydrophobicContact CD1-CG 3.67Å; L560-F620 HydrophobicContact CD2-CD1 3.71Å; L560-F620 HydrophobicContact CD2-CD2 4.36Å; L560-F620 HydrophobicContact CD2-CE1 3.54Å; L560-F620 HydrophobicContact CD2-CE2 4.21Å; L560-F620 HydrophobicContact CD2-CG 4.08Å; L560-F620 HydrophobicContact CD2-CZ 3.74Å; L560-F620 HydrophobicContact CG-CD1 4.25Å; L560-F620 HydrophobicContact CG-CD2 4.16Å; L560-F620 HydrophobicContact CG-CE1 4.35Å; L560-F620 HydrophobicContact CG-CE2 4.27Å; L560-F620 HydrophobicContact CG-CG 4.11Å; L560-F620 HydrophobicContact CG-CZ 4.29Å; L560-D624 HydrophobicContact CD1-CB 4.32Å; L560-V625 HydrophobicContact CD1-CG2 4.07Å
561	S	87.7	Confident	81.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.5	-46	175.6	171.1	0	0	0	0	110.4	F536 Q539 F557 Y558 R559 D563 I564 N565	F536-S561 WeakPolarHBondContact CE2-OG 3.3Å; Q539-S561 PolarHBondContact OE1-OG 3.02Å; F557-S561 WeakPolarHBondContact O-CB 3.35Å; F557-S561 PolarHBondContact O-N 3.46Å; Y558-S561 PolarHBondContact O-N 3.32Å; R559-S561 VanDerWaalsContact C-N 3.34Å; R559-S561 PolarHBondContact O-N 2.81Å; S561-D563 VanDerWaalsContact C-N 3.33Å; S561-D563 PolarHBondContact O-N 3Å; S561-I564 PolarHBondContact O-N 3.26Å; S561-N565 VanDerWaalsContact O-CB 3.28Å; S561-N565 WeakPolarHBondContact O-CB 3.4Å; S561-N565 PolarHBondContact O-N 2.94Å; S561-N565 PolarHBondContact O-ND2 2.94Å; S561-N565 PolarHBondContact OG-ND2 2.93Å
562	S	88.3	Confident	83.3	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-39.2	175.5	-60.7	0	0	0	0	112.6	R506 Y558 R559 L560 G566	R506-S562 WeakPolarHBondContact CA-O 3.42Å; Y558-S562 PolarHBondContact O-N 3.22Å; Y558-S562 PolarHBondContact O-OG 3.24Å; Y558-S562 VanDerWaalsContact O-OG 3.09Å; R559-S562 WeakPolarHBondContact O-CB 3.36Å; R559-S562 PolarHBondContact O-N 2.82Å; L560-S562 VanDerWaalsContact C-N 3.26Å; L560-S562 PolarHBondContact O-N 3.31Å; S562-G566 WeakPolarHBondContact O-CA 3.43Å; S562-G566 PolarHBondContact O-N 3.03Å
563	D	89.9	Confident	85.3	Confident	1 Å²	1	22 Å²	22	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-66.2	-48	176.4	-74.9	-34.5	0	0	0	113.3	W502 R506 R559 L560 S561 L567 V625	W502-D563 WeakPolarHBondContact CZ2-OD1 3.36Å; W502-D563 PolarHBondContact NE1-OD1 3.38Å; R506-D563 WeakPolarHBondContact CD-OD1 3.32Å; R506-D563 IonicContact CZ-OD1 2.83Å; R506-D563 IonicContact NE-OD1 2.82Å; R506-D563 IonicContact NH1-OD1 3.58Å; R506-D563 PolarHBondContact NH1-OD1 2.98Å; R506-D563 IonicContact NH1-OD2 3.19Å; R506-D563 PolarHBondContact NH1-OD2 2.93Å; R559-D563 PolarHBondContact O-N 3.32Å; L560-D563 WeakPolarHBondContact O-CB 3.39Å; L560-D563 PolarHBondContact O-N 3.42Å; L560-D563 VanDerWaalsContact O-N 3.12Å; S561-D563 VanDerWaalsContact C-N 3.33Å; S561-D563 PolarHBondContact O-N 3Å; D563-L567 WeakPolarHBondContact O-CB 3.08Å; D563-L567 PolarHBondContact O-N 3.33Å; D563-V625 HydrophobicContact CB-CG1 4.44Å; D563-V625 HydrophobicContact CB-CG2 3.91Å
564	I	93.4	Very high	87	Confident	1 Å²	1	19 Å²	19	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-61	-55.3	179.8	-68.2	164.9	0	0	0	109.7	L543 L560 S561 G566 L567 M568 V625 H628	L543-I564 HydrophobicContact CD1-CD1 4.31Å; L543-I564 HydrophobicContact CD2-CD1 3.68Å; L560-I564 HydrophobicContact CD1-CD1 3.84Å; L560-I564 HydrophobicContact CD1-CG1 3.87Å; L560-I564 HydrophobicContact CD2-CD1 4.16Å; L560-I564 HydrophobicContact CG-CD1 3.6Å; L560-I564 HydrophobicContact CG-CG1 4.13Å; L560-I564 WeakPolarHBondContact O-CG1 3.21Å; L560-I564 PolarHBondContact O-N 2.92Å; S561-I564 PolarHBondContact O-N 3.26Å; I564-G566 VanDerWaalsContact C-N 3.31Å; I564-G566 PolarHBondContact O-N 2.94Å; I564-L567 PolarHBondContact O-N 3.45Å; I564-M568 HydrophobicContact CG2-CE 3.52Å; I564-M568 HydrophobicContact CG2-SD 3.84Å; I564-M568 VanDerWaalsContact O-CG 3.3Å; I564-M568 WeakPolarHBondContact O-CG 3.37Å; I564-M568 PolarHBondContact O-N 2.82Å; I564-V625 HydrophobicContact CG1-CG1 4.36Å; I564-H628 HydrophobicContact CD1-CB 4.27Å; I564-H628 WeakPolarHBondContact CD1-CD2 3.36Å; I564-H628 HydrophobicContact CG1-CB 4.4Å; I564-H628 HydrophobicContact CG2-CB 3.89Å
565	N	93.3	Very high	88.4	Confident	12 Å²	12	21.3 Å²	21.3	6%	0.064	10%	0.096	C	C	.	.	H	α-helix	trans	-68.9	-34.1	-175.4	-63.3	-37.2	0	0	0	111	I509 Q539 S561 M568 L569 L652	I509-N565 HydrophobicContact CD1-CB 4.33Å; I509-N565 HydrophobicContact CG1-CB 4.17Å; I509-N565 HydrophobicContact CG2-CB 4.03Å; Q539-N565 PolarHBondContact NE2-ND2 3.23Å; Q539-N565 PolarHBondContact NE2-OD1 3.18Å; Q539-N565 VanDerWaalsContact NE2-OD1 3.14Å; Q539-N565 PolarHBondContact OE1-ND2 3.47Å; S561-N565 VanDerWaalsContact O-CB 3.28Å; S561-N565 WeakPolarHBondContact O-CB 3.4Å; S561-N565 PolarHBondContact O-N 2.94Å; S561-N565 PolarHBondContact O-ND2 2.94Å; S561-N565 PolarHBondContact OG-ND2 2.93Å; N565-M568 PolarHBondContact O-N 3.27Å; N565-L569 WeakPolarHBondContact O-CB 3.33Å; N565-L569 PolarHBondContact O-N 3.16Å; N565-L652 WeakPolarHBondContact ND2-CB 3.38Å; N565-L652 VanDerWaalsContact OD1-CB 3.24Å; N565-L652 WeakPolarHBondContact OD1-CB 3.02Å; N565-L652 PolarHBondContact OD1-N 2.68Å
566	G	94.6	Very high	89.6	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-44.1	174.8	0	0	0	0	0	113.1	S562 I564 L569 S570	S562-G566 WeakPolarHBondContact O-CA 3.43Å; S562-G566 PolarHBondContact O-N 3.03Å; I564-G566 VanDerWaalsContact C-N 3.31Å; I564-G566 PolarHBondContact O-N 2.94Å; G566-L569 PolarHBondContact O-N 3.32Å; G566-S570 WeakPolarHBondContact O-CB 3.34Å; G566-S570 PolarHBondContact O-N 2.8Å
567	L	95.9	Very high	90	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-64.7	-41.7	174.9	-175.4	67	0	0	0	111.6	W502 D563 I564 S570 F571 F590 F594 V625 L626	W502-L567 HydrophobicContact CB-CD1 3.87Å; W502-L567 HydrophobicContact CG-CD1 4.25Å; D563-L567 WeakPolarHBondContact O-CB 3.08Å; D563-L567 PolarHBondContact O-N 3.33Å; I564-L567 PolarHBondContact O-N 3.45Å; L567-S570 WeakPolarHBondContact O-CB 3.44Å; L567-S570 PolarHBondContact O-N 3.48Å; L567-F571 PolarHBondContact O-N 3.5Å; L567-F590 HydrophobicContact CD1-CE1 3.75Å; L567-F590 HydrophobicContact CD1-CZ 3.76Å; L567-F590 HydrophobicContact CG-CE1 4.33Å; L567-F594 HydrophobicContact CD1-CB 4.19Å; L567-F594 HydrophobicContact CD1-CD2 3.74Å; L567-F594 HydrophobicContact CD1-CE2 4.29Å; L567-F594 HydrophobicContact CD1-CG 3.87Å; L567-F594 HydrophobicContact CD2-CD1 4.2Å; L567-F594 HydrophobicContact CD2-CD2 4.44Å; L567-F594 HydrophobicContact CD2-CE1 4.19Å; L567-F594 HydrophobicContact CD2-CE2 4.41Å; L567-F594 HydrophobicContact CD2-CG 4.32Å; L567-F594 HydrophobicContact CD2-CZ 4.29Å; L567-V625 HydrophobicContact CB-CG1 4.22Å; L567-V625 HydrophobicContact CD2-CG1 3.72Å; L567-L626 HydrophobicContact CD2-CD2 3.57Å
568	M	95.3	Very high	90.1	Very high	39 Å²	39	22 Å²	22	19%	0.192	12%	0.123	C	C	.	.	H	α-helix	trans	-62.8	-47	176.8	-72.7	171.6	179.5	0	0	111.7	I564 N565 S570 F571 E572 H628 I651	I564-M568 HydrophobicContact CG2-CE 3.52Å; I564-M568 HydrophobicContact CG2-SD 3.84Å; I564-M568 VanDerWaalsContact O-CG 3.3Å; I564-M568 WeakPolarHBondContact O-CG 3.37Å; I564-M568 PolarHBondContact O-N 2.82Å; N565-M568 PolarHBondContact O-N 3.27Å; M568-S570 VanDerWaalsContact C-N 3.27Å; M568-S570 PolarHBondContact O-N 2.91Å; M568-F571 PolarHBondContact O-N 2.86Å; M568-F571 VanDerWaalsContact O-N 3.16Å; M568-E572 WeakPolarHBondContact O-CG 3.5Å; M568-E572 PolarHBondContact O-N 2.89Å; M568-H628 VanDerWaalsContact CE-C 3.41Å; M568-H628 HydrophobicContact CE-CB 4.17Å; M568-H628 WeakPolarHBondContact CE-O 3.28Å; M568-I651 HydrophobicContact CE-CB 4.37Å; M568-I651 HydrophobicContact CE-CG2 3.36Å; M568-I651 HydrophobicContact SD-CB 4.3Å; M568-I651 HydrophobicContact SD-CG2 3.89Å
569	L	95.9	Very high	89.7	Confident	5 Å²	5	28 Å²	28	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-56.8	-44.7	175.4	174.8	61.2	0	0	0	111.2	M374 K377 L378 L381 I509 N565 G566 E572 A573	M374-L569 HydrophobicContact CE-CB 4.47Å; M374-L569 HydrophobicContact CE-CD2 3.93Å; M374-L569 HydrophobicContact CE-CG 3.87Å; K377-L569 HydrophobicContact CB-CD1 4.16Å; K377-L569 HydrophobicContact CG-CD1 4.2Å; L378-L569 HydrophobicContact CB-CD1 3.72Å; L378-L569 HydrophobicContact CB-CD2 3.96Å; L378-L569 HydrophobicContact CD1-CD1 4.39Å; L378-L569 HydrophobicContact CD1-CD2 4.4Å; L378-L569 HydrophobicContact CD2-CD2 4.08Å; L378-L569 HydrophobicContact CG-CD2 4.38Å; L381-L569 HydrophobicContact CD1-CD1 4.25Å; I509-L569 HydrophobicContact CD1-CD2 4.46Å; I509-L569 HydrophobicContact CG1-CD2 4.49Å; N565-L569 WeakPolarHBondContact O-CB 3.33Å; N565-L569 PolarHBondContact O-N 3.16Å; G566-L569 PolarHBondContact O-N 3.32Å; L569-E572 PolarHBondContact O-N 3.1Å; L569-A573 VanDerWaalsContact O-CB 3.31Å; L569-A573 WeakPolarHBondContact O-CB 3.44Å; L569-A573 PolarHBondContact O-N 3.14Å
570	S	97	Very high	89.2	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.7	-46.3	176.5	177.2	0	0	0	0	112.4	Y497 G501 G566 L567 M568 A573 Y574	Y497-S570 WeakPolarHBondContact CD1-O 3.24Å; Y497-S570 PolarHBondContact O-OG 2.99Å; G501-S570 VanDerWaalsContact C-OG 3.24Å; G501-S570 WeakPolarHBondContact CA-OG 3.31Å; G566-S570 WeakPolarHBondContact O-CB 3.34Å; G566-S570 PolarHBondContact O-N 2.8Å; L567-S570 WeakPolarHBondContact O-CB 3.44Å; L567-S570 PolarHBondContact O-N 3.48Å; M568-S570 VanDerWaalsContact C-N 3.27Å; M568-S570 PolarHBondContact O-N 2.91Å; S570-A573 PolarHBondContact O-N 2.88Å; S570-Y574 WeakPolarHBondContact O-CB 3.41Å; S570-Y574 PolarHBondContact O-N 2.77Å
571	F	96.1	Very high	88.4	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-47.9	178.6	-173.7	-113.9	0	0	0	111.2	L567 M568 A573 Y574 K575 K587 F590 F591	L567-F571 PolarHBondContact O-N 3.5Å; M568-F571 PolarHBondContact O-N 2.86Å; M568-F571 VanDerWaalsContact O-N 3.16Å; F571-A573 PolarHBondContact O-N 3.25Å; F571-Y574 WeakPolarHBondContact O-CB 3.29Å; F571-Y574 PolarHBondContact O-N 3.38Å; F571-K575 HydrophobicContact CD1-CD 4.22Å; F571-K575 HydrophobicContact CD1-CG 4.35Å; F571-K575 HydrophobicContact CE1-CD 3.78Å; F571-K575 HydrophobicContact CE1-CG 4.19Å; F571-K575 HydrophobicContact CZ-CD 4.22Å; F571-K575 HydrophobicContact CZ-CG 4.39Å; F571-K575 VanDerWaalsContact O-CG 3.26Å; F571-K575 WeakPolarHBondContact O-CG 3.4Å; F571-K575 PolarHBondContact O-N 2.81Å; F571-K587 HydrophobicContact CE2-CG 4.43Å; F571-K587 HydrophobicContact CZ-CD 4.29Å; F571-K587 HydrophobicContact CZ-CG 4.25Å; F571-F590 HydrophobicContact CB-CE1 3.89Å; F571-F590 HydrophobicContact CB-CE2 4.34Å; F571-F590 HydrophobicContact CB-CZ 3.7Å; F571-F590 AromaticContact CD2-CD1 3.64Å; F571-F590 HydrophobicContact CD2-CD1 3.64Å; F571-F590 HydrophobicContact CD2-CD2 4.28Å; F571-F590 AromaticContact CD2-CE1 3.71Å; F571-F590 HydrophobicContact CD2-CE1 3.71Å; F571-F590 HydrophobicContact CD2-CE2 4.3Å; F571-F590 AromaticContact CD2-CG 3.98Å; F571-F590 HydrophobicContact CD2-CG 3.98Å; F571-F590 HydrophobicContact CD2-CZ 4.05Å; F571-F590 HydrophobicContact CE2-CD1 4.27Å; F571-F590 HydrophobicContact CG-CE1 4.19Å; F571-F590 HydrophobicContact CG-CZ 4.37Å; F571-F591 HydrophobicContact CD1-CZ 4.46Å; F571-F591 HydrophobicContact CD2-CE2 4.32Å; F571-F591 AromaticContact CD2-CZ 3.89Å; F571-F591 HydrophobicContact CD2-CZ 3.89Å; F571-F591 HydrophobicContact CE1-CZ 4.43Å; F571-F591 AromaticContact CE2-CE2 3.88Å; F571-F591 HydrophobicContact CE2-CE2 3.88Å; F571-F591 AromaticContact CE2-CZ 3.86Å; F571-F591 HydrophobicContact CE2-CZ 3.86Å; F571-F591 HydrophobicContact CG-CZ 4.19Å; F571-F591 HydrophobicContact CZ-CE2 4.17Å; F571-F591 HydrophobicContact CZ-CZ 4.14Å
572	E	94.2	Very high	87.3	Confident	60 Å²	60	42.7 Å²	42.7	28%	0.28	24%	0.239	S	C	.	.	H	α-helix	trans	-60.1	-41.9	177.2	-71.1	-55.2	135.7	0	0	112.8	K377 M568 L569 K575 G576	K377-E572 HydrophobicContact CG-CB 4.07Å; M568-E572 WeakPolarHBondContact O-CG 3.5Å; M568-E572 PolarHBondContact O-N 2.89Å; L569-E572 PolarHBondContact O-N 3.1Å; E572-K575 PolarHBondContact O-N 3.11Å; E572-K575 WeakPolarHBondContact OE1-CE 3.3Å; E572-K575 IonicContact OE1-NZ 2.77Å; E572-K575 PolarHBondContact OE1-NZ 3.42Å; E572-K575 WeakPolarHBondContact OE2-CE 3.28Å; E572-K575 IonicContact OE2-NZ 2.65Å; E572-K575 PolarHBondContact OE2-NZ 3.33Å; E572-G576 PolarHBondContact O-N 3.28Å; E572-G576 VanDerWaalsContact O-N 3.15Å
573	A	95	Very high	86.6	Confident	4 Å²	4	47.2 Å²	47.2	3%	0.033	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-44.8	174.9	0	0	0	0	0	110.9	M374 K377 Y497 L569 S570 F571 K575 G576 T577	M374-A573 HydrophobicContact CB-CB 4.47Å; M374-A573 HydrophobicContact CG-CB 3.78Å; K377-A573 HydrophobicContact CB-CB 4.1Å; K377-A573 HydrophobicContact CG-CB 4.41Å; Y497-A573 HydrophobicContact CE1-CB 3.94Å; L569-A573 VanDerWaalsContact O-CB 3.31Å; L569-A573 WeakPolarHBondContact O-CB 3.44Å; L569-A573 PolarHBondContact O-N 3.14Å; S570-A573 PolarHBondContact O-N 2.88Å; F571-A573 PolarHBondContact O-N 3.25Å; A573-K575 PolarHBondContact O-N 3.12Å; A573-G576 PolarHBondContact O-N 2.89Å; A573-G576 VanDerWaalsContact O-N 3.1Å; A573-T577 WeakPolarHBondContact O-CG2 3.31Å; A573-T577 PolarHBondContact O-N 3.39Å
574	Y	94.2	Very high	86.2	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-58	-45.4	175.3	173.4	-119.8	0	0	0	112	M493 S494 Y497 S570 F571 G576 T577 L578 I582 F590	M493-Y574 HydrophobicContact CB-CD2 4.47Å; M493-Y574 HydrophobicContact CB-CE2 4.02Å; S494-Y574 WeakPolarHBondContact CB-OH 3.38Å; Y497-Y574 AromaticContact CD2-CD2 3.91Å; Y497-Y574 HydrophobicContact CD2-CD2 3.91Å; Y497-Y574 HydrophobicContact CD2-CG 4.48Å; Y497-Y574 HydrophobicContact CE2-CD2 4.43Å; Y497-Y574 HydrophobicContact CG-CD2 4.15Å; Y497-Y574 HydrophobicContact CG-CG 4.26Å; S570-Y574 WeakPolarHBondContact O-CB 3.41Å; S570-Y574 PolarHBondContact O-N 2.77Å; F571-Y574 WeakPolarHBondContact O-CB 3.29Å; F571-Y574 PolarHBondContact O-N 3.38Å; Y574-G576 PolarHBondContact O-N 2.62Å; Y574-T577 PolarHBondContact O-N 2.93Å; Y574-T577 VanDerWaalsContact O-N 3.1Å; Y574-T577 PolarHBondContact O-OG1 3.19Å; Y574-L578 HydrophobicContact CE1-CD1 4.05Å; Y574-L578 HydrophobicContact CE2-CD1 4.09Å; Y574-L578 HydrophobicContact CE2-CD2 4.37Å; Y574-L578 HydrophobicContact CE2-CG 4.4Å; Y574-I582 HydrophobicContact CE1-CG2 4.44Å; Y574-F590 HydrophobicContact CD1-CD2 4.32Å
575	K	91.1	Very high	85.8	Confident	76 Å²	76	53 Å²	53	33%	0.33	30%	0.298	S	S	.	.	H	α-helix	trans	-56.7	-40.3	175.7	-54.9	-159.8	-79.4	-176	0	111.8	F571 E572 A573 T577 L578 I582	F571-K575 HydrophobicContact CD1-CD 4.22Å; F571-K575 HydrophobicContact CD1-CG 4.35Å; F571-K575 HydrophobicContact CE1-CD 3.78Å; F571-K575 HydrophobicContact CE1-CG 4.19Å; F571-K575 HydrophobicContact CZ-CD 4.22Å; F571-K575 HydrophobicContact CZ-CG 4.39Å; F571-K575 VanDerWaalsContact O-CG 3.26Å; F571-K575 WeakPolarHBondContact O-CG 3.4Å; F571-K575 PolarHBondContact O-N 2.81Å; E572-K575 PolarHBondContact O-N 3.11Å; E572-K575 WeakPolarHBondContact OE1-CE 3.3Å; E572-K575 IonicContact OE1-NZ 2.77Å; E572-K575 PolarHBondContact OE1-NZ 3.42Å; E572-K575 WeakPolarHBondContact OE2-CE 3.28Å; E572-K575 IonicContact OE2-NZ 2.65Å; E572-K575 PolarHBondContact OE2-NZ 3.33Å; A573-K575 PolarHBondContact O-N 3.12Å; K575-T577 VanDerWaalsContact C-N 3.28Å; K575-T577 PolarHBondContact O-N 3.17Å; K575-L578 PolarHBondContact O-N 3.28Å; K575-I582 HydrophobicContact CB-CD1 3.9Å; K575-I582 HydrophobicContact CD-CD1 3.86Å; K575-I582 HydrophobicContact CG-CD1 3.4Å
576	G	86.1	Confident	85.6	Confident	63 Å²	63	54.7 Å²	54.7	65%	0.649	31%	0.307	S	S	*	.	H	α-helix	trans	-66.3	-24.1	179.4	0	0	0	0	0	114.6	E572 A573 Y574 L578	E572-G576 PolarHBondContact O-N 3.28Å; E572-G576 VanDerWaalsContact O-N 3.15Å; A573-G576 PolarHBondContact O-N 2.89Å; A573-G576 VanDerWaalsContact O-N 3.1Å; Y574-G576 PolarHBondContact O-N 2.62Å; G576-L578 VanDerWaalsContact C-N 3.26Å; G576-L578 PolarHBondContact O-N 3.41Å
577	T	82.2	Confident	85.4	Confident	55 Å²	55	56.8 Å²	56.8	34%	0.337	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-7.1	178.1	65.4	0	0	0	0	114.3	E373 Y497 A573 Y574 K575	E373-T577 HydrophobicContact CG-CG2 4.4Å; Y497-T577 HydrophobicContact CE2-CG2 4.47Å; Y497-T577 WeakPolarHBondContact OH-CG2 3.37Å; A573-T577 WeakPolarHBondContact O-CG2 3.31Å; A573-T577 PolarHBondContact O-N 3.39Å; Y574-T577 PolarHBondContact O-N 2.93Å; Y574-T577 VanDerWaalsContact O-N 3.1Å; Y574-T577 PolarHBondContact O-OG1 3.19Å; K575-T577 VanDerWaalsContact C-N 3.28Å; K575-T577 PolarHBondContact O-N 3.17Å
578	L	79.3	Confident	85.2	Confident	60 Å²	60	60.1 Å²	60.1	31%	0.314	33%	0.33	S	S	.	.			trans	-102	135.1	-172.6	-63.8	167.1	0	0	0	111.5	Y574 K575 G576 I582	Y574-L578 HydrophobicContact CE1-CD1 4.05Å; Y574-L578 HydrophobicContact CE2-CD1 4.09Å; Y574-L578 HydrophobicContact CE2-CD2 4.37Å; Y574-L578 HydrophobicContact CE2-CG 4.4Å; K575-L578 PolarHBondContact O-N 3.28Å; G576-L578 VanDerWaalsContact C-N 3.26Å; G576-L578 PolarHBondContact O-N 3.41Å; L578-I582 HydrophobicContact CD1-CB 4.33Å; L578-I582 HydrophobicContact CD1-CD1 4.05Å; L578-I582 HydrophobicContact CD1-CG1 3.32Å; L578-I582 HydrophobicContact CD1-CG2 4.43Å
579	T	69.4	Low	85.1	Confident	149 Å²	149	59.8 Å²	59.8	91%	0.914	33%	0.329	S	S	*	.	S	Bend	trans	-81.5	-20	177	52.1	0	0	0	0	113.2
580	E	68.7	Low	85	Confident	161 Å²	161	59.6 Å²	59.6	75%	0.752	33%	0.327	S	S	*	.	S	Bend	trans	-123.5	162.3	-178.4	-64.9	-176.6	178.3	0	0	110.6	I582	E580-I582 PolarHBondContact O-N 3.13Å
581	N	68.6	Low	84.9	Confident	166 Å²	166	59.6 Å²	59.6	89%	0.888	33%	0.327	S	S	*	.			trans	-55.5	134.5	174.1	-86.4	-18.3	0	0	0	110.5	D583	N581-D583 PolarHBondContact O-N 3.27Å
582	I	64.2	Low	84.7	Confident	28 Å²	28	60.3 Å²	60.3	14%	0.144	33%	0.334	C	S	.	.			trans	-61.5	115.1	176.9	-53.7	164.9	0	0	0	109	Y574 K575 L578 E580 S584 N586 K587	Y574-I582 HydrophobicContact CE1-CG2 4.44Å; K575-I582 HydrophobicContact CB-CD1 3.9Å; K575-I582 HydrophobicContact CD-CD1 3.86Å; K575-I582 HydrophobicContact CG-CD1 3.4Å; L578-I582 HydrophobicContact CD1-CB 4.33Å; L578-I582 HydrophobicContact CD1-CD1 4.05Å; L578-I582 HydrophobicContact CD1-CG1 3.32Å; L578-I582 HydrophobicContact CD1-CG2 4.43Å; E580-I582 PolarHBondContact O-N 3.13Å; I582-S584 PolarHBondContact O-N 3.46Å; I582-N586 HydrophobicContact CG2-CB 3.54Å; I582-K587 HydrophobicContact CB-CG 3.94Å; I582-K587 HydrophobicContact CD1-CG 4.39Å; I582-K587 HydrophobicContact CG2-CB 4.4Å; I582-K587 HydrophobicContact CG2-CD 4.45Å; I582-K587 HydrophobicContact CG2-CG 3.39Å
583	D	75.2	Confident	84.6	Confident	99 Å²	99	57.7 Å²	57.7	53%	0.529	32%	0.322	S	S	.	.			trans	-55.1	139.6	166.8	-179.6	20.4	0	0	0	110	N581 L585 N586 K587	N581-D583 PolarHBondContact O-N 3.27Å; D583-L585 PolarHBondContact O-N 3.1Å; D583-L585 WeakPolarHBondContact OD2-CB 3.33Å; D583-N586 PolarHBondContact O-N 2.87Å; D583-K587 PolarHBondContact O-N 2.91Å
584	S	80.3	Confident	84.4	Confident	55 Å²	55	57.5 Å²	57.5	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-47.7	-34.7	179.3	-178.7	0	0	0	0	111.8	I582 K587 K588	I582-S584 PolarHBondContact O-N 3.46Å; S584-K587 PolarHBondContact O-N 2.95Å; S584-K588 WeakPolarHBondContact O-CG 3.38Å; S584-K588 PolarHBondContact O-N 3.31Å; S584-K588 WeakPolarHBondContact OG-CE 3.26Å
585	L	86.1	Confident	84.2	Confident	68 Å²	68	57.3 Å²	57.3	36%	0.356	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-46.3	176.5	-172.4	62.8	0	0	0	113.3	I27 D583 K587 K588 M589	I27-L585 HydrophobicContact CG2-CD1 3.72Å; D583-L585 PolarHBondContact O-N 3.1Å; D583-L585 WeakPolarHBondContact OD2-CB 3.33Å; L585-K587 PolarHBondContact O-N 3.33Å; L585-K588 PolarHBondContact O-N 3.48Å; L585-M589 HydrophobicContact CG-CE 4.13Å; L585-M589 WeakPolarHBondContact O-CG 3.21Å; L585-M589 PolarHBondContact O-N 3.33Å
586	N	88.6	Confident	83.8	Confident	47 Å²	47	54.9 Å²	54.9	25%	0.251	31%	0.309	S	S	.	.	H	α-helix	trans	-65.6	-38.3	-179.8	-85.8	-38.2	0	0	0	112.2	S494 I582 D583 M589 F590	S494-N586 WeakPolarHBondContact CB-O 3.42Å; S494-N586 PolarHBondContact OG-OD1 2.92Å; I582-N586 HydrophobicContact CG2-CB 3.54Å; D583-N586 PolarHBondContact O-N 2.87Å; N586-M589 HydrophobicContact CB-CE 4.44Å; N586-M589 PolarHBondContact O-N 2.82Å; N586-M589 WeakPolarHBondContact OD1-CE 3.24Å; N586-F590 PolarHBondContact O-N 2.97Å; N586-F590 VanDerWaalsContact O-N 3.08Å
587	K	90.4	Very high	83.5	Confident	44 Å²	44	51.9 Å²	51.9	19%	0.191	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-46.5	173.1	-61.1	-171.2	179.7	-176.8	0	110.9	F571 I582 D583 S584 L585 M589 F590 F591 E634 A635	F571-K587 HydrophobicContact CE2-CG 4.43Å; F571-K587 HydrophobicContact CZ-CD 4.29Å; F571-K587 HydrophobicContact CZ-CG 4.25Å; I582-K587 HydrophobicContact CB-CG 3.94Å; I582-K587 HydrophobicContact CD1-CG 4.39Å; I582-K587 HydrophobicContact CG2-CB 4.4Å; I582-K587 HydrophobicContact CG2-CD 4.45Å; I582-K587 HydrophobicContact CG2-CG 3.39Å; D583-K587 PolarHBondContact O-N 2.91Å; S584-K587 PolarHBondContact O-N 2.95Å; L585-K587 PolarHBondContact O-N 3.33Å; K587-M589 VanDerWaalsContact C-N 3.35Å; K587-M589 PolarHBondContact O-N 3.3Å; K587-F590 PolarHBondContact O-N 3.39Å; K587-F591 WeakPolarHBondContact O-CD2 3.49Å; K587-F591 PolarHBondContact O-N 3.22Å; K587-E634 IonicContact NZ-OE2 3.53Å; K587-A635 HydrophobicContact CB-CB 3.67Å; K587-A635 HydrophobicContact CD-CB 4.36Å
588	K	92	Very high	83.5	Confident	74 Å²	74	49.9 Å²	49.9	32%	0.322	27%	0.266	S	S	.	.	H	α-helix	trans	-61.9	-41.7	178.4	-71.7	173.6	-179.1	175.4	0	112	S584 L585 F591 S592 A635 Y636	S584-K588 WeakPolarHBondContact O-CG 3.38Å; S584-K588 PolarHBondContact O-N 3.31Å; S584-K588 WeakPolarHBondContact OG-CE 3.26Å; L585-K588 PolarHBondContact O-N 3.48Å; K588-F591 PolarHBondContact O-N 3.47Å; K588-S592 VanDerWaalsContact O-CB 3.3Å; K588-S592 WeakPolarHBondContact O-CB 3.27Å; K588-S592 PolarHBondContact O-N 3.46Å; K588-A635 WeakPolarHBondContact CE-O 3.38Å; K588-A635 HydrophobicContact CG-CB 4.46Å; K588-Y636 HydrophobicContact CB-CE1 4.36Å; K588-Y636 HydrophobicContact CB-CE2 4.4Å; K588-Y636 HydrophobicContact CD-CE1 4.35Å; K588-Y636 HydrophobicContact CG-CD1 4.36Å; K588-Y636 HydrophobicContact CG-CE1 3.94Å; K588-Y636 HydrophobicContact CG-CE2 4.13Å; K588-Y636 PolarHBondContact O-OH 2.91Å
589	M	91.6	Very high	83.5	Confident	32 Å²	32	48.8 Å²	48.8	16%	0.158	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-42.9	177	-74.7	-169.9	-63.7	0	0	112.4	I27 L585 N586 K587 F591 S592 A593	I27-M589 HydrophobicContact CD1-CG 3.93Å; I27-M589 HydrophobicContact CD1-SD 3.84Å; L585-M589 HydrophobicContact CG-CE 4.13Å; L585-M589 WeakPolarHBondContact O-CG 3.21Å; L585-M589 PolarHBondContact O-N 3.33Å; N586-M589 HydrophobicContact CB-CE 4.44Å; N586-M589 PolarHBondContact O-N 2.82Å; N586-M589 WeakPolarHBondContact OD1-CE 3.24Å; K587-M589 VanDerWaalsContact C-N 3.35Å; K587-M589 PolarHBondContact O-N 3.3Å; M589-F591 PolarHBondContact O-N 3.38Å; M589-S592 PolarHBondContact O-N 3.39Å; M589-A593 WeakPolarHBondContact O-CB 3.4Å; M589-A593 PolarHBondContact O-N 3.39Å
590	F	95.1	Very high	83.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-54	-55.2	175.7	171.4	-84.1	0	0	0	111.9	S494 Y497 G498 L567 F571 Y574 N586 K587 S592 A593 F594	S494-F590 WeakPolarHBondContact O-CA 3.37Å; Y497-F590 VanDerWaalsContact C-CE2 3.49Å; G498-F590 VanDerWaalsContact N-CD2 3.33Å; L567-F590 HydrophobicContact CD1-CE1 3.75Å; L567-F590 HydrophobicContact CD1-CZ 3.76Å; L567-F590 HydrophobicContact CG-CE1 4.33Å; F571-F590 HydrophobicContact CB-CE1 3.89Å; F571-F590 HydrophobicContact CB-CE2 4.34Å; F571-F590 HydrophobicContact CB-CZ 3.7Å; F571-F590 AromaticContact CD2-CD1 3.64Å; F571-F590 HydrophobicContact CD2-CD1 3.64Å; F571-F590 HydrophobicContact CD2-CD2 4.28Å; F571-F590 AromaticContact CD2-CE1 3.71Å; F571-F590 HydrophobicContact CD2-CE1 3.71Å; F571-F590 HydrophobicContact CD2-CE2 4.3Å; F571-F590 AromaticContact CD2-CG 3.98Å; F571-F590 HydrophobicContact CD2-CG 3.98Å; F571-F590 HydrophobicContact CD2-CZ 4.05Å; F571-F590 HydrophobicContact CE2-CD1 4.27Å; F571-F590 HydrophobicContact CG-CE1 4.19Å; F571-F590 HydrophobicContact CG-CZ 4.37Å; Y574-F590 HydrophobicContact CD1-CD2 4.32Å; N586-F590 PolarHBondContact O-N 2.97Å; N586-F590 VanDerWaalsContact O-N 3.08Å; K587-F590 PolarHBondContact O-N 3.39Å; F590-S592 VanDerWaalsContact C-N 3.34Å; F590-S592 PolarHBondContact O-N 3.34Å; F590-A593 PolarHBondContact O-N 3.18Å; F590-F594 PolarHBondContact O-N 3.05Å; F590-F594 VanDerWaalsContact O-N 3.08Å
591	F	95.3	Very high	83.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-32.4	-178.2	-64.9	-64.9	0	0	0	112.7	F571 K587 K588 M589 A595 L626 G631 F632 A635 Y636	F571-F591 HydrophobicContact CD1-CZ 4.46Å; F571-F591 HydrophobicContact CD2-CE2 4.32Å; F571-F591 AromaticContact CD2-CZ 3.89Å; F571-F591 HydrophobicContact CD2-CZ 3.89Å; F571-F591 HydrophobicContact CE1-CZ 4.43Å; F571-F591 AromaticContact CE2-CE2 3.88Å; F571-F591 HydrophobicContact CE2-CE2 3.88Å; F571-F591 AromaticContact CE2-CZ 3.86Å; F571-F591 HydrophobicContact CE2-CZ 3.86Å; F571-F591 HydrophobicContact CG-CZ 4.19Å; F571-F591 HydrophobicContact CZ-CE2 4.17Å; F571-F591 HydrophobicContact CZ-CZ 4.14Å; K587-F591 WeakPolarHBondContact O-CD2 3.49Å; K587-F591 PolarHBondContact O-N 3.22Å; K588-F591 PolarHBondContact O-N 3.47Å; M589-F591 PolarHBondContact O-N 3.38Å; F591-A595 WeakPolarHBondContact O-CB 3.3Å; F591-A595 PolarHBondContact O-N 3.2Å; F591-L626 HydrophobicContact CD1-CD2 3.51Å; F591-L626 HydrophobicContact CE1-CD2 4.13Å; F591-L626 HydrophobicContact CG-CD2 4.37Å; F591-G631 VanDerWaalsContact CE2-C 3.48Å; F591-G631 WeakPolarHBondContact CE2-O 3.34Å; F591-G631 VanDerWaalsContact CZ-C 3.45Å; F591-F632 HydrophobicContact CB-CD2 3.98Å; F591-F632 HydrophobicContact CD1-CB 4.12Å; F591-F632 HydrophobicContact CD1-CD2 4.14Å; F591-F632 HydrophobicContact CD2-CB 4.34Å; F591-F632 HydrophobicContact CD2-CD2 4.18Å; F591-F632 HydrophobicContact CE1-CB 3.91Å; F591-F632 VanDerWaalsContact CE2-CA 3.5Å; F591-F632 HydrophobicContact CE2-CB 4.16Å; F591-F632 HydrophobicContact CG-CB 4.34Å; F591-F632 AromaticContact CG-CD2 3.84Å; F591-F632 HydrophobicContact CG-CD2 3.84Å; F591-F632 HydrophobicContact CZ-CB 3.95Å; F591-A635 HydrophobicContact CD2-CB 4.11Å; F591-A635 HydrophobicContact CE2-CB 4.04Å; F591-Y636 HydrophobicContact CB-CE2 4.1Å; F591-Y636 HydrophobicContact CD2-CE2 4.36Å
592	S	91.6	Very high	83.8	Confident	22 Å²	22	27.3 Å²	27.3	15%	0.154	15%	0.151	C	C	.	.	H	α-helix	trans	-65.8	-40.8	173.8	-173.6	0	0	0	0	111.4	K588 M589 F590 A595 K596	K588-S592 VanDerWaalsContact O-CB 3.3Å; K588-S592 WeakPolarHBondContact O-CB 3.27Å; K588-S592 PolarHBondContact O-N 3.46Å; M589-S592 PolarHBondContact O-N 3.39Å; F590-S592 VanDerWaalsContact C-N 3.34Å; F590-S592 PolarHBondContact O-N 3.34Å; S592-A595 PolarHBondContact O-N 2.92Å; S592-K596 WeakPolarHBondContact O-CB 3.4Å; S592-K596 WeakPolarHBondContact O-CG 3.46Å; S592-K596 PolarHBondContact O-N 3.21Å; S592-K596 WeakPolarHBondContact OG-CE 3.48Å
593	A	90.6	Very high	84	Confident	4 Å²	4	26.4 Å²	26.4	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-44.6	177.8	0	0	0	0	0	111.7	E495 I499 M589 F590 K596 I597	E495-A593 HydrophobicContact CB-CB 4.13Å; E495-A593 HydrophobicContact CG-CB 4.15Å; I499-A593 HydrophobicContact CD1-CB 4.28Å; I499-A593 HydrophobicContact CG1-CB 3.96Å; M589-A593 WeakPolarHBondContact O-CB 3.4Å; M589-A593 PolarHBondContact O-N 3.39Å; F590-A593 PolarHBondContact O-N 3.18Å; A593-K596 PolarHBondContact O-N 3.07Å; A593-I597 PolarHBondContact O-N 3.43Å; A593-I597 VanDerWaalsContact O-N 3.11Å
594	F	92.3	Very high	83.4	Confident	1 Å²	1	21.7 Å²	21.7	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-53.5	-55.4	170.1	164.6	-102.2	0	0	0	111.6	G498 W502 L567 F590 K596 I597 V598 V622 V625 L626	G498-F594 VanDerWaalsContact O-CA 3.28Å; G498-F594 WeakPolarHBondContact O-CA 3.46Å; G498-F594 VanDerWaalsContact O-CB 3.3Å; G498-F594 WeakPolarHBondContact O-CB 3.27Å; W502-F594 HydrophobicContact CB-CD2 4.01Å; W502-F594 HydrophobicContact CB-CE2 4.45Å; W502-F594 AromaticContact CD1-CE2 3.84Å; W502-F594 AromaticContact CD2-CD2 3.73Å; W502-F594 HydrophobicContact CD2-CD2 3.73Å; W502-F594 AromaticContact CD2-CE2 3.46Å; W502-F594 HydrophobicContact CD2-CE2 3.46Å; W502-F594 VanDerWaalsContact CD2-CE2 3.46Å; W502-F594 AromaticContact CE2-CE2 3.57Å; W502-F594 HydrophobicContact CE3-CD2 4Å; W502-F594 AromaticContact CE3-CE2 3.94Å; W502-F594 HydrophobicContact CE3-CE2 3.94Å; W502-F594 AromaticContact CG-CD2 3.69Å; W502-F594 HydrophobicContact CG-CD2 3.69Å; W502-F594 AromaticContact CG-CE2 3.65Å; W502-F594 HydrophobicContact CG-CE2 3.65Å; W502-F594 HydrophobicContact CZ2-CE2 4.13Å; W502-F594 HydrophobicContact CZ3-CE2 4.45Å; W502-F594 AromaticContact NE1-CE2 3.78Å; L567-F594 HydrophobicContact CD1-CB 4.19Å; L567-F594 HydrophobicContact CD1-CD2 3.74Å; L567-F594 HydrophobicContact CD1-CE2 4.29Å; L567-F594 HydrophobicContact CD1-CG 3.87Å; L567-F594 HydrophobicContact CD2-CD1 4.2Å; L567-F594 HydrophobicContact CD2-CD2 4.44Å; L567-F594 HydrophobicContact CD2-CE1 4.19Å; L567-F594 HydrophobicContact CD2-CE2 4.41Å; L567-F594 HydrophobicContact CD2-CG 4.32Å; L567-F594 HydrophobicContact CD2-CZ 4.29Å; F590-F594 PolarHBondContact O-N 3.05Å; F590-F594 VanDerWaalsContact O-N 3.08Å; F594-K596 VanDerWaalsContact C-N 3.31Å; F594-K596 PolarHBondContact O-N 2.91Å; F594-I597 WeakPolarHBondContact O-CG2 3.45Å; F594-I597 PolarHBondContact O-N 3.24Å; F594-V598 HydrophobicContact CD2-CG2 4.2Å; F594-V598 HydrophobicContact CE1-CG2 4.48Å; F594-V598 HydrophobicContact CE2-CG2 3.67Å; F594-V598 HydrophobicContact CZ-CG2 3.84Å; F594-V598 PolarHBondContact O-N 3.06Å; F594-V622 HydrophobicContact CE1-CG1 4.28Å; F594-V625 HydrophobicContact CE1-CB 4.41Å; F594-V625 HydrophobicContact CZ-CB 3.96Å; F594-V625 HydrophobicContact CZ-CG1 3.96Å; F594-V625 HydrophobicContact CZ-CG2 4.24Å; F594-L626 HydrophobicContact CD1-CD1 4.1Å; F594-L626 HydrophobicContact CD1-CD2 3.82Å; F594-L626 HydrophobicContact CD1-CG 4.01Å; F594-L626 HydrophobicContact CE1-CD1 4.1Å; F594-L626 HydrophobicContact CE1-CD2 3.92Å; F594-L626 HydrophobicContact CE1-CG 3.73Å
595	A	90	Very high	82.4	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60	-44.4	-176.9	0	0	0	0	0	111.3	F47 F591 S592 I597 V598 C599 V622	F47-A595 HydrophobicContact CD1-CB 4.08Å; F47-A595 HydrophobicContact CE1-CB 3.6Å; F591-A595 WeakPolarHBondContact O-CB 3.3Å; F591-A595 PolarHBondContact O-N 3.2Å; S592-A595 PolarHBondContact O-N 2.92Å; A595-I597 VanDerWaalsContact C-N 3.28Å; A595-I597 PolarHBondContact O-N 2.97Å; A595-V598 PolarHBondContact O-N 3.08Å; A595-C599 WeakPolarHBondContact O-CB 3.48Å; A595-C599 PolarHBondContact O-N 2.63Å; A595-C599 PolarHBondContact O-SG 3.12Å; A595-V622 HydrophobicContact CB-CG1 3.59Å; A595-V622 HydrophobicContact CB-CG2 4.08Å
596	K	82.9	Confident	81.2	Confident	24 Å²	24	19.1 Å²	19.1	10%	0.104	10%	0.1	C	C	.	.	H	α-helix	trans	-58.5	-39.9	179.3	-72.6	170.9	-175.3	165.3	0	112.8	L25 L55 S592 A593 F594 C599 S600	L25-K596 VanDerWaalsContact CD1-NZ 3.3Å; L55-K596 HydrophobicContact CD1-CB 3.9Å; L55-K596 HydrophobicContact CD1-CG 3.83Å; L55-K596 HydrophobicContact CD2-CB 4.2Å; L55-K596 HydrophobicContact CD2-CD 4.4Å; L55-K596 HydrophobicContact CD2-CG 3.92Å; L55-K596 HydrophobicContact CG-CG 4.16Å; S592-K596 WeakPolarHBondContact O-CB 3.4Å; S592-K596 WeakPolarHBondContact O-CG 3.46Å; S592-K596 PolarHBondContact O-N 3.21Å; S592-K596 WeakPolarHBondContact OG-CE 3.48Å; A593-K596 PolarHBondContact O-N 3.07Å; F594-K596 VanDerWaalsContact C-N 3.31Å; F594-K596 PolarHBondContact O-N 2.91Å; K596-C599 PolarHBondContact O-N 3.44Å; K596-S600 VanDerWaalsContact O-CB 3.31Å; K596-S600 WeakPolarHBondContact O-CB 3.33Å; K596-S600 PolarHBondContact O-N 2.72Å
597	I	79.9	Confident	80	Confident	1 Å²	1	17 Å²	17	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-70.7	-41.2	-178.1	-148	72	0	0	0	112.3	F486 I499 W502 A593 F594 A595 S600 L602	F486-I597 HydrophobicContact CD1-CD1 3.19Å; F486-I597 HydrophobicContact CD1-CG1 3.76Å; F486-I597 HydrophobicContact CE1-CD1 3.6Å; F486-I597 HydrophobicContact CE1-CG1 4.06Å; F486-I597 HydrophobicContact CG-CD1 4.23Å; I499-I597 HydrophobicContact CG1-CB 4.29Å; I499-I597 HydrophobicContact CG2-CB 4.26Å; I499-I597 HydrophobicContact CG2-CD1 4.21Å; I499-I597 HydrophobicContact CG2-CG1 3.94Å; I499-I597 HydrophobicContact CG2-CG2 4.31Å; W502-I597 HydrophobicContact CE3-CG2 4.25Å; W502-I597 HydrophobicContact CZ3-CG2 4.18Å; A593-I597 PolarHBondContact O-N 3.43Å; A593-I597 VanDerWaalsContact O-N 3.11Å; F594-I597 WeakPolarHBondContact O-CG2 3.45Å; F594-I597 PolarHBondContact O-N 3.24Å; A595-I597 VanDerWaalsContact C-N 3.28Å; A595-I597 PolarHBondContact O-N 2.97Å; I597-S600 PolarHBondContact O-N 3.02Å; I597-S600 PolarHBondContact O-OG 3.24Å; I597-L602 HydrophobicContact CG1-CB 4.01Å; I597-L602 HydrophobicContact CG1-CD2 3.76Å; I597-L602 PolarHBondContact O-N 2.62Å
598	V	81.8	Confident	78.5	Confident	13 Å²	13	16.2 Å²	16.2	8%	0.079	9%	0.087	C	C	.	.	H	α-helix	trans	-61.3	-47.8	173.7	176.4	0	0	0	0	110.3	W502 F594 A595 S600 G601 V622	W502-V598 HydrophobicContact CE3-CG2 4.44Å; W502-V598 HydrophobicContact CH2-CG2 3.8Å; W502-V598 HydrophobicContact CZ2-CG2 4.38Å; W502-V598 HydrophobicContact CZ3-CG2 3.83Å; F594-V598 HydrophobicContact CD2-CG2 4.2Å; F594-V598 HydrophobicContact CE1-CG2 4.48Å; F594-V598 HydrophobicContact CE2-CG2 3.67Å; F594-V598 HydrophobicContact CZ-CG2 3.84Å; F594-V598 PolarHBondContact O-N 3.06Å; A595-V598 PolarHBondContact O-N 3.08Å; V598-S600 VanDerWaalsContact C-N 3.27Å; V598-S600 PolarHBondContact O-N 3.37Å; V598-G601 PolarHBondContact O-N 3.48Å; V598-G601 VanDerWaalsContact O-N 3.12Å; V598-V622 HydrophobicContact CB-CG2 3.7Å; V598-V622 HydrophobicContact CG1-CG2 3.64Å; V598-V622 HydrophobicContact CG2-CG2 4.5Å
599	C	78.8	Confident	76.9	Confident	36 Å²	36	14.3 Å²	14.3	24%	0.243	8%	0.083	C	C	.	.	H	α-helix	trans	-60	-33.3	175.7	-60.2	0	0	0	0	113.1	C52 L55 A595 K596 G601	C52-C599 WeakPolarHBondContact CA-SG 3.25Å; C52-C599 HydrophobicContact CB-CB 3.8Å; C52-C599 WeakPolarHBondContact CB-SG 3.43Å; C52-C599 WeakPolarHBondContact SG-CB 3.49Å; C52-C599 CovalentContact SG-SG 2.02Å; C52-C599 PolarHBondContact SG-SG 3.36Å; L55-C599 HydrophobicContact CD1-CB 3.35Å; A595-C599 WeakPolarHBondContact O-CB 3.48Å; A595-C599 PolarHBondContact O-N 2.63Å; A595-C599 PolarHBondContact O-SG 3.12Å; K596-C599 PolarHBondContact O-N 3.44Å; C599-G601 PolarHBondContact O-N 3.36Å
600	S	71.6	Confident	75.2	Confident	18 Å²	18	13.7 Å²	13.7	13%	0.126	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-1.9	179.7	78.1	0	0	0	0	114.1	K596 I597 V598 R612	K596-S600 VanDerWaalsContact O-CB 3.31Å; K596-S600 WeakPolarHBondContact O-CB 3.33Å; K596-S600 PolarHBondContact O-N 2.72Å; I597-S600 PolarHBondContact O-N 3.02Å; I597-S600 PolarHBondContact O-OG 3.24Å; V598-S600 VanDerWaalsContact C-N 3.27Å; V598-S600 PolarHBondContact O-N 3.37Å; S600-R612 PolarHBondContact O-NH1 3.37Å
601	G	69.2	Low	73.3	Confident	7 Å²	7	15.4 Å²	15.4	7%	0.072	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	11.5	178	0	0	0	0	0	114.6	V598 C599 S603 T606	V598-G601 PolarHBondContact O-N 3.48Å; V598-G601 VanDerWaalsContact O-N 3.12Å; C599-G601 PolarHBondContact O-N 3.36Å; G601-S603 VanDerWaalsContact C-N 3.28Å; G601-S603 PolarHBondContact O-N 2.88Å; G601-T606 WeakPolarHBondContact O-CB 3.35Å; G601-T606 WeakPolarHBondContact O-CG2 3.48Å; G601-T606 PolarHBondContact O-OG1 3.14Å
602	L	71.3	Confident	71.3	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.005	11%	0.108	C	C	.	.			trans	-96.1	56.6	165.3	-167.1	77.4	0	0	0	109.6	P466 I481 F486 W502 I503 I597	P466-L602 HydrophobicContact CB-CD1 4.19Å; P466-L602 HydrophobicContact CG-CD1 3.82Å; I481-L602 HydrophobicContact CD1-CD1 3.75Å; I481-L602 HydrophobicContact CD1-CD2 3.67Å; I481-L602 HydrophobicContact CD1-CG 4.38Å; F486-L602 HydrophobicContact CD1-CD2 4.1Å; F486-L602 HydrophobicContact CE1-CB 4.17Å; F486-L602 HydrophobicContact CE1-CD2 4.15Å; W502-L602 WeakPolarHBondContact CZ3-O 3.48Å; I503-L602 HydrophobicContact CD1-CD2 3.54Å; I503-L602 HydrophobicContact CG1-CD2 4.49Å; I597-L602 HydrophobicContact CG1-CB 4.01Å; I597-L602 HydrophobicContact CG1-CD2 3.76Å; I597-L602 PolarHBondContact O-N 2.62Å
603	S	68.8	Low	69.2	Low	8 Å²	8	25 Å²	25	6%	0.056	13%	0.134	C	C	.	.	S	Bend	trans	-80.5	174.2	174.9	61	0	0	0	0	110.9	G601 Y605 T606 I607	G601-S603 VanDerWaalsContact C-N 3.28Å; G601-S603 PolarHBondContact O-N 2.88Å; S603-Y605 PolarHBondContact O-N 2.73Å; S603-Y605 PolarHBondContact OG-N 2.85Å; S603-T606 PolarHBondContact O-N 3.32Å; S603-T606 VanDerWaalsContact O-N 3.13Å; S603-I607 WeakPolarHBondContact O-CG1 3.14Å; S603-I607 PolarHBondContact O-N 2.04Å; S603-I607 VanDerWaalsContact O-N 3.11Å
604	S	63.3	Low	67	Low	1 Å²	1	32.4 Å²	32.4	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-44.9	-37.2	167.2	171.5	0	0	0	0	111.2	R506 T606 I607 D608 E619	R506-S604 PolarHBondContact NH1-OG 3.1Å; R506-S604 PolarHBondContact NH2-OG 2.99Å; S604-T606 PolarHBondContact O-N 3.19Å; S604-I607 PolarHBondContact O-N 3.32Å; S604-D608 WeakPolarHBondContact O-CB 3.23Å; S604-D608 PolarHBondContact O-N 3.25Å; S604-E619 WeakPolarHBondContact CB-OE2 2.93Å; S604-E619 PolarHBondContact OG-OE2 3.04Å
605	Y	59.3	Low	64.8	Low	59 Å²	59	36.5 Å²	36.5	23%	0.231	19%	0.188	C	C	.	.	H	α-helix	trans	-68.8	-42.6	-174.2	177.5	-96.1	0	0	0	112.1	S603 I607 D608 S609 S611 K613 E619	S603-Y605 PolarHBondContact O-N 2.73Å; S603-Y605 PolarHBondContact OG-N 2.85Å; Y605-I607 VanDerWaalsContact C-N 3.3Å; Y605-D608 PolarHBondContact O-N 3.21Å; Y605-S609 VanDerWaalsContact CE1-OG 3.26Å; Y605-S609 WeakPolarHBondContact CE1-OG 3.29Å; Y605-S609 VanDerWaalsContact O-CB 3.28Å; Y605-S609 WeakPolarHBondContact O-CB 3.34Å; Y605-S609 PolarHBondContact O-N 3.39Å; Y605-S609 PolarHBondContact O-OG 3.36Å; Y605-S611 WeakPolarHBondContact CD1-O 3.37Å; Y605-S611 WeakPolarHBondContact CE1-O 3.3Å; Y605-K613 WeakPolarHBondContact CE1-O 3.06Å; Y605-K613 PolarHBondContact OH-O 3.35Å; Y605-K613 VanDerWaalsContact OH-O 3.13Å; Y605-E619 VanDerWaalsContact CA-OE1 3.3Å; Y605-E619 WeakPolarHBondContact CA-OE1 3.38Å; Y605-E619 WeakPolarHBondContact CA-OE2 3.46Å; Y605-E619 WeakPolarHBondContact CB-OE2 3.24Å; Y605-E619 HydrophobicContact CD2-CG 3.96Å; Y605-E619 WeakPolarHBondContact CD2-OE1 3.44Å; Y605-E619 HydrophobicContact CG-CG 4.43Å; Y605-E619 PolarHBondContact N-OE2 3.16Å
606	T	61.5	Low	62.7	Low	9 Å²	9	45.6 Å²	45.6	6%	0.055	23%	0.228	C	C	.	.	H	α-helix	trans	-69.9	-34.6	178	-53.3	0	0	0	0	110.9	G601 S603 S604 D608 G610 R612	G601-T606 WeakPolarHBondContact O-CB 3.35Å; G601-T606 WeakPolarHBondContact O-CG2 3.48Å; G601-T606 PolarHBondContact O-OG1 3.14Å; S603-T606 PolarHBondContact O-N 3.32Å; S603-T606 VanDerWaalsContact O-N 3.13Å; S604-T606 PolarHBondContact O-N 3.19Å; T606-D608 VanDerWaalsContact C-N 3.32Å; T606-G610 VanDerWaalsContact O-CA 3.26Å; T606-G610 WeakPolarHBondContact O-CA 3.24Å; T606-G610 PolarHBondContact O-N 3.19Å; T606-G610 VanDerWaalsContact O-N 3.1Å; T606-R612 HydrophobicContact CG2-CG 3.86Å
607	I	61.9	Low	60.8	Low	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-36.9	173.5	-64.3	169.3	0	0	0	110.6	Y465 P466 W502 I503 S603 S604 Y605	Y465-I607 WeakPolarHBondContact CD1-O 3.35Å; P466-I607 HydrophobicContact CG-CG1 4.3Å; W502-I607 HydrophobicContact CH2-CD1 3.83Å; W502-I607 HydrophobicContact CZ2-CD1 4.48Å; W502-I607 HydrophobicContact CZ3-CD1 4.09Å; I503-I607 HydrophobicContact CG1-CD1 4.28Å; I503-I607 HydrophobicContact CG2-CD1 4.12Å; S603-I607 WeakPolarHBondContact O-CG1 3.14Å; S603-I607 PolarHBondContact O-N 2.04Å; S603-I607 VanDerWaalsContact O-N 3.11Å; S604-I607 PolarHBondContact O-N 3.32Å; Y605-I607 VanDerWaalsContact C-N 3.3Å
608	D	60.2	Low	59.4	Low	29 Å²	29	54.6 Å²	54.6	16%	0.155	28%	0.275	C	S	.	.	H	α-helix	trans	-97.8	-20	-171.7	-76	-13	0	0	0	116.4	Y465 R506 R559 S604 Y605 T606	Y465-D608 WeakPolarHBondContact CE1-O 3.37Å; Y465-D608 VanDerWaalsContact CZ-O 3.29Å; Y465-D608 PolarHBondContact OH-O 3.24Å; R506-D608 IonicContact CZ-OD1 3.39Å; R506-D608 IonicContact CZ-OD2 3.32Å; R506-D608 IonicContact NH2-OD1 2.93Å; R506-D608 PolarHBondContact NH2-OD1 3.49Å; R506-D608 IonicContact NH2-OD2 3.66Å; R506-D608 PolarHBondContact NH2-OD2 2.89Å; R559-D608 WeakPolarHBondContact CD-OD2 3.35Å; R559-D608 IonicContact CZ-OD2 2.7Å; R559-D608 IonicContact NE-OD2 3.88Å; R559-D608 PolarHBondContact NE-OD2 3.47Å; R559-D608 IonicContact NH1-OD2 2.88Å; R559-D608 PolarHBondContact NH1-OD2 3.16Å; R559-D608 IonicContact NH2-OD2 2.79Å; R559-D608 PolarHBondContact NH2-OD2 3.5Å; S604-D608 WeakPolarHBondContact O-CB 3.23Å; S604-D608 PolarHBondContact O-N 3.25Å; Y605-D608 PolarHBondContact O-N 3.21Å; T606-D608 VanDerWaalsContact C-N 3.32Å
609	S	57.1	Low	58.4	Low	34 Å²	34	55.7 Å²	55.7	24%	0.238	28%	0.279	C	S	.	.	H	α-helix	trans	-110.4	-14.8	178.4	70.9	0	0	0	0	112.4	Y605 S611	Y605-S609 VanDerWaalsContact CE1-OG 3.26Å; Y605-S609 WeakPolarHBondContact CE1-OG 3.29Å; Y605-S609 VanDerWaalsContact O-CB 3.28Å; Y605-S609 WeakPolarHBondContact O-CB 3.34Å; Y605-S609 PolarHBondContact O-N 3.39Å; Y605-S609 PolarHBondContact O-OG 3.36Å; S609-S611 PolarHBondContact O-N 2.8Å; S609-S611 VanDerWaalsContact O-N 3.1Å; S609-S611 WeakPolarHBondContact OG-CB 3.46Å; S609-S611 PolarHBondContact OG-N 2.91Å; S609-S611 PolarHBondContact OG-O 3.45Å; S609-S611 VanDerWaalsContact OG-O 3.11Å
610	G	56.1	Low	57.8	Low	18 Å²	18	54.6 Å²	54.6	19%	0.186	27%	0.27	C	S	.	.	S	Bend	trans	61.7	7.9	-166.7	0	0	0	0	0	114.5	S464 T606	S464-G610 CarbonylContact O-C 3.5Å; S464-G610 WeakPolarHBondContact O-CA 3.24Å; S464-G610 VanDerWaalsContact O-O 3.05Å; T606-G610 VanDerWaalsContact O-CA 3.26Å; T606-G610 WeakPolarHBondContact O-CA 3.24Å; T606-G610 PolarHBondContact O-N 3.19Å; T606-G610 VanDerWaalsContact O-N 3.1Å
611	S	55.3	Low	58	Low	37 Å²	37	56.5 Å²	56.5	26%	0.259	28%	0.278	S	S	.	.			trans	-117.5	143.3	-175.4	166.6	0	0	0	0	109.9	Y605 S609 K613	Y605-S611 WeakPolarHBondContact CD1-O 3.37Å; Y605-S611 WeakPolarHBondContact CE1-O 3.3Å; S609-S611 PolarHBondContact O-N 2.8Å; S609-S611 VanDerWaalsContact O-N 3.1Å; S609-S611 WeakPolarHBondContact OG-CB 3.46Å; S609-S611 PolarHBondContact OG-N 2.91Å; S609-S611 PolarHBondContact OG-O 3.45Å; S609-S611 VanDerWaalsContact OG-O 3.11Å; S611-K613 WeakPolarHBondContact OG-CB 3.23Å; S611-K613 PolarHBondContact OG-N 3.35Å
612	R	53.7	Low	58.9	Low	63 Å²	63	56.2 Å²	56.2	24%	0.238	28%	0.275	C	S	.	.			trans	-94.4	-1	168.4	-67.1	-177.3	179.8	-138.7	-10.1	113	S64 F65 S600 T606 H614	S64-R612 PolarHBondContact OG-NH1 3.11Å; F65-R612 PolarHBondContact O-NH2 3.13Å; S600-R612 PolarHBondContact O-NH1 3.37Å; T606-R612 HydrophobicContact CG2-CG 3.86Å; R612-H614 PolarHBondContact O-N 3.11Å
613	K	47.2	Very low	59.8	Low	161 Å²	161	57.2 Å²	57.2	70%	0.7	28%	0.28	S	S	*	.	S	Bend	trans	-68.9	125.4	-177	-73.9	-175.9	178.6	173.4	0	110.6	Y605 S611	Y605-K613 WeakPolarHBondContact CE1-O 3.06Å; Y605-K613 PolarHBondContact OH-O 3.35Å; Y605-K613 VanDerWaalsContact OH-O 3.13Å; S611-K613 WeakPolarHBondContact OG-CB 3.23Å; S611-K613 PolarHBondContact OG-N 3.35Å
614	H	44.5	Very low	60.7	Low	159 Å²	159	58.6 Å²	58.6	74%	0.736	29%	0.287	S	S	*	.			trans	52.1	85.5	173.7	-63.9	-79.6	0	0	0	115	R612 K616	R612-H614 PolarHBondContact O-N 3.11Å; H614-K616 PolarHBondContact O-N 3.38Å
615	I	46.8	Very low	62.1	Low	87 Å²	87	58.7 Å²	58.7	45%	0.446	29%	0.288	S	S	.	.			trans	-56	-11.9	161.6	-66.2	170.3	0	0	0	112.4	A617	I615-A617 PolarHBondContact O-N 3.14Å; I615-A617 VanDerWaalsContact O-N 3.09Å
616	K	44.7	Very low	63.8	Low	190 Å²	190	55.9 Å²	55.9	83%	0.826	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	8.1	-147.3	-77.7	-165.1	174.3	-173	0	118.8	H614	H614-K616 PolarHBondContact O-N 3.38Å
617	A	44.2	Very low	65.3	Low	60 Å²	60	56.7 Å²	56.7	50%	0.496	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.8	-27.2	177	0	0	0	0	0	118.3	I615	I615-A617 PolarHBondContact O-N 3.14Å; I615-A617 VanDerWaalsContact O-N 3.09Å
618	Y	49.8	Very low	66.8	Low	155 Å²	155	56.7 Å²	56.7	61%	0.608	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	9.1	-159.6	-58.3	-63.4	0	0	0	116.9
619	E	61.4	Low	68.5	Low	35 Å²	35	55.5 Å²	55.5	16%	0.164	27%	0.273	C	S	.	.	S	Bend	trans	-137.7	149.9	-179.5	-66.1	-148.5	-160.1	0	0	114.7	R559 S604 Y605	R559-E619 IonicContact NH1-OE1 3.89Å; R559-E619 PolarHBondContact NH1-OE1 3.44Å; S604-E619 WeakPolarHBondContact CB-OE2 2.93Å; S604-E619 PolarHBondContact OG-OE2 3.04Å; Y605-E619 VanDerWaalsContact CA-OE1 3.3Å; Y605-E619 WeakPolarHBondContact CA-OE1 3.38Å; Y605-E619 WeakPolarHBondContact CA-OE2 3.46Å; Y605-E619 WeakPolarHBondContact CB-OE2 3.24Å; Y605-E619 HydrophobicContact CD2-CG 3.96Å; Y605-E619 WeakPolarHBondContact CD2-OE1 3.44Å; Y605-E619 HydrophobicContact CG-CG 4.43Å; Y605-E619 PolarHBondContact N-OE2 3.16Å
620	F	66.4	Low	70.2	Confident	14 Å²	14	60.1 Å²	60.1	6%	0.061	29%	0.291	C	S	.	.			trans	-70.9	140.3	-173.6	-61	-72.5	0	0	0	112.9	I547 I556 F557 L560 D624	I547-F620 HydrophobicContact CD1-CE1 3.57Å; I547-F620 HydrophobicContact CD1-CZ 3.97Å; I547-F620 HydrophobicContact CG1-CE1 4.22Å; I547-F620 HydrophobicContact CG2-CE1 4.17Å; I556-F620 HydrophobicContact CB-CE2 4.29Å; I556-F620 HydrophobicContact CG2-CD2 4.33Å; I556-F620 HydrophobicContact CG2-CE1 4.33Å; I556-F620 HydrophobicContact CG2-CE2 3.17Å; I556-F620 HydrophobicContact CG2-CZ 3.21Å; I556-F620 VanDerWaalsContact O-CE2 3.23Å; I556-F620 WeakPolarHBondContact O-CE2 3.38Å; F557-F620 HydrophobicContact CD1-CZ 4.34Å; L560-F620 HydrophobicContact CB-CD1 4.39Å; L560-F620 HydrophobicContact CB-CD2 3.51Å; L560-F620 HydrophobicContact CB-CE1 4.3Å; L560-F620 HydrophobicContact CB-CE2 3.41Å; L560-F620 VanDerWaalsContact CB-CE2 3.41Å; L560-F620 HydrophobicContact CB-CG 3.99Å; L560-F620 HydrophobicContact CB-CZ 3.77Å; L560-F620 HydrophobicContact CD1-CB 3.86Å; L560-F620 HydrophobicContact CD1-CD1 4.02Å; L560-F620 HydrophobicContact CD1-CD2 4.06Å; L560-F620 HydrophobicContact CD1-CG 3.67Å; L560-F620 HydrophobicContact CD2-CD1 3.71Å; L560-F620 HydrophobicContact CD2-CD2 4.36Å; L560-F620 HydrophobicContact CD2-CE1 3.54Å; L560-F620 HydrophobicContact CD2-CE2 4.21Å; L560-F620 HydrophobicContact CD2-CG 4.08Å; L560-F620 HydrophobicContact CD2-CZ 3.74Å; L560-F620 HydrophobicContact CG-CD1 4.25Å; L560-F620 HydrophobicContact CG-CD2 4.16Å; L560-F620 HydrophobicContact CG-CE1 4.35Å; L560-F620 HydrophobicContact CG-CE2 4.27Å; L560-F620 HydrophobicContact CG-CG 4.11Å; L560-F620 HydrophobicContact CG-CZ 4.29Å; F620-D624 HydrophobicContact CB-CB 3.94Å; F620-D624 HydrophobicContact CD1-CB 3.8Å; F620-D624 HydrophobicContact CG-CB 4.31Å
621	I	75.8	Confident	71.9	Confident	58 Å²	58	59.7 Å²	59.7	30%	0.297	29%	0.287	S	S	.	.			trans	-106.6	-178.6	-175.9	60.8	-169.5	0	0	0	110.8	E48 N623 D624 V625	E48-I621 VanDerWaalsContact OE2-CB 3.31Å; E48-I621 WeakPolarHBondContact OE2-CB 3.45Å; E48-I621 WeakPolarHBondContact OE2-CD1 3.43Å; E48-I621 WeakPolarHBondContact OE2-CG1 3.23Å; I621-N623 PolarHBondContact O-N 2.98Å; I621-D624 WeakPolarHBondContact CG1-OD2 3.31Å; I621-D624 PolarHBondContact N-OD2 3.19Å; I621-D624 PolarHBondContact O-N 2.9Å; I621-D624 VanDerWaalsContact O-N 3.15Å; I621-V625 PolarHBondContact O-N 3.35Å
622	V	87.4	Confident	73.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-51.1	-44.3	-174.9	170.1	0	0	0	0	112.1	F47 E48 F594 A595 V598 V625 L626	F47-V622 HydrophobicContact CD1-CG1 3.87Å; E48-V622 HydrophobicContact CB-CB 3.96Å; E48-V622 HydrophobicContact CB-CG1 4.34Å; E48-V622 HydrophobicContact CG-CB 4.01Å; E48-V622 HydrophobicContact CG-CG2 4.31Å; F594-V622 HydrophobicContact CE1-CG1 4.28Å; A595-V622 HydrophobicContact CB-CG1 3.59Å; A595-V622 HydrophobicContact CB-CG2 4.08Å; V598-V622 HydrophobicContact CB-CG2 3.7Å; V598-V622 HydrophobicContact CG1-CG2 3.64Å; V598-V622 HydrophobicContact CG2-CG2 4.5Å; V622-V625 PolarHBondContact O-N 3.48Å; V622-L626 HydrophobicContact CG1-CD1 3.52Å; V622-L626 HydrophobicContact CG1-CG 4.34Å; V622-L626 WeakPolarHBondContact O-CB 3.37Å; V622-L626 WeakPolarHBondContact O-CG 3.24Å; V622-L626 PolarHBondContact O-N 2.71Å
623	N	90.5	Very high	75.7	Confident	22 Å²	22	55.2 Å²	55.2	12%	0.118	27%	0.265	C	S	.	.	H	α-helix	trans	-70.4	-36.7	-176.2	-68.2	-18.1	0	0	0	113.1	N46 F47 E48 I621 V625 L626 K627 M644	N46-N623 PolarHBondContact OD1-ND2 3.42Å; F47-N623 PolarHBondContact N-OD1 3.34Å; E48-N623 WeakPolarHBondContact CB-ND2 3.36Å; E48-N623 WeakPolarHBondContact CB-OD1 3.17Å; E48-N623 PolarHBondContact N-OD1 3.42Å; I621-N623 PolarHBondContact O-N 2.98Å; N623-V625 PolarHBondContact O-N 2.96Å; N623-L626 PolarHBondContact O-N 3.41Å; N623-K627 WeakPolarHBondContact O-CB 3.44Å; N623-K627 WeakPolarHBondContact O-CG 3.35Å; N623-K627 PolarHBondContact O-N 3.35Å; N623-K627 VanDerWaalsContact O-N 3.07Å; N623-M644 HydrophobicContact CB-CE 4.3Å; N623-M644 HydrophobicContact CB-SD 3.78Å; N623-M644 PolarHBondContact OD1-SD 2.98Å
624	D	87.8	Confident	77.9	Confident	37 Å²	37	52.7 Å²	52.7	20%	0.198	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-31.6	-179.4	-69.9	-45.9	0	0	0	112	L560 F620 I621 K627 H628	L560-D624 HydrophobicContact CD1-CB 4.32Å; F620-D624 HydrophobicContact CB-CB 3.94Å; F620-D624 HydrophobicContact CD1-CB 3.8Å; F620-D624 HydrophobicContact CG-CB 4.31Å; I621-D624 WeakPolarHBondContact CG1-OD2 3.31Å; I621-D624 PolarHBondContact N-OD2 3.19Å; I621-D624 PolarHBondContact O-N 2.9Å; I621-D624 VanDerWaalsContact O-N 3.15Å; D624-K627 IonicContact OD1-NZ 2.98Å; D624-K627 PolarHBondContact OD1-NZ 3.43Å; D624-H628 PolarHBondContact O-CD2 2.71Å
625	V	92	Very high	80.1	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-82.3	-51.9	175.9	-175.1	0	0	0	0	110.8	L560 D563 I564 L567 F594 I621 V622 N623 K627 H628	L560-V625 HydrophobicContact CD1-CG2 4.07Å; D563-V625 HydrophobicContact CB-CG1 4.44Å; D563-V625 HydrophobicContact CB-CG2 3.91Å; I564-V625 HydrophobicContact CG1-CG1 4.36Å; L567-V625 HydrophobicContact CB-CG1 4.22Å; L567-V625 HydrophobicContact CD2-CG1 3.72Å; F594-V625 HydrophobicContact CE1-CB 4.41Å; F594-V625 HydrophobicContact CZ-CB 3.96Å; F594-V625 HydrophobicContact CZ-CG1 3.96Å; F594-V625 HydrophobicContact CZ-CG2 4.24Å; I621-V625 PolarHBondContact O-N 3.35Å; V622-V625 PolarHBondContact O-N 3.48Å; N623-V625 PolarHBondContact O-N 2.96Å; V625-K627 PolarHBondContact O-N 3.44Å; V625-H628 PolarHBondContact O-N 3.27Å
626	L	94.7	Very high	82.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.5	-31	-169.4	-71.8	177.5	0	0	0	114.4	F47 L567 F591 F594 V622 N623 H628 S629 F632 M644	F47-L626 HydrophobicContact CD1-CD1 3.3Å; F47-L626 HydrophobicContact CE1-CD1 3.68Å; F47-L626 HydrophobicContact CG-CD1 4.23Å; L567-L626 HydrophobicContact CD2-CD2 3.57Å; F591-L626 HydrophobicContact CD1-CD2 3.51Å; F591-L626 HydrophobicContact CE1-CD2 4.13Å; F591-L626 HydrophobicContact CG-CD2 4.37Å; F594-L626 HydrophobicContact CD1-CD1 4.1Å; F594-L626 HydrophobicContact CD1-CD2 3.82Å; F594-L626 HydrophobicContact CD1-CG 4.01Å; F594-L626 HydrophobicContact CE1-CD1 4.1Å; F594-L626 HydrophobicContact CE1-CD2 3.92Å; F594-L626 HydrophobicContact CE1-CG 3.73Å; V622-L626 HydrophobicContact CG1-CD1 3.52Å; V622-L626 HydrophobicContact CG1-CG 4.34Å; V622-L626 WeakPolarHBondContact O-CB 3.37Å; V622-L626 WeakPolarHBondContact O-CG 3.24Å; V622-L626 PolarHBondContact O-N 2.71Å; N623-L626 PolarHBondContact O-N 3.41Å; L626-H628 PolarHBondContact O-N 2.69Å; L626-S629 WeakPolarHBondContact O-CB 3.19Å; L626-S629 PolarHBondContact O-N 3.1Å; L626-F632 HydrophobicContact CB-CD1 4.44Å; L626-F632 HydrophobicContact CB-CD2 4.29Å; L626-F632 HydrophobicContact CB-CG 4.22Å; L626-F632 HydrophobicContact CD1-CD2 4.01Å; L626-F632 HydrophobicContact CD1-CE2 3.93Å; L626-F632 HydrophobicContact CD2-CB 4.43Å; L626-F632 HydrophobicContact CD2-CD2 4.04Å; L626-F632 HydrophobicContact CD2-CG 4.35Å; L626-F632 HydrophobicContact CG-CD2 4.36Å; L626-M644 HydrophobicContact CB-CE 3.67Å
627	K	93.8	Very high	84.5	Confident	26 Å²	26	40.5 Å²	40.5	11%	0.113	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.7	179.5	73.1	-171	-177.5	-167.9	0	112.6	N623 D624 V625 M644 P646 K649	N623-K627 WeakPolarHBondContact O-CB 3.44Å; N623-K627 WeakPolarHBondContact O-CG 3.35Å; N623-K627 PolarHBondContact O-N 3.35Å; N623-K627 VanDerWaalsContact O-N 3.07Å; D624-K627 IonicContact OD1-NZ 2.98Å; D624-K627 PolarHBondContact OD1-NZ 3.43Å; V625-K627 PolarHBondContact O-N 3.44Å; K627-M644 WeakPolarHBondContact CA-O 3.39Å; K627-P646 VanDerWaalsContact O-CD 3.31Å; K627-P646 WeakPolarHBondContact O-CD 3.29Å; K627-K649 PolarHBondContact O-NZ 3.49Å
628	H	94	Very high	86.8	Confident	1 Å²	1	38 Å²	38	1%	0.005	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-11.8	178	-60.1	-58.7	0	0	0	114.1	Q546 I564 M568 D624 V625 L626 K649 C650 I651	Q546-H628 PolarHBondContact OE1-CE1 3.02Å; Q546-H628 VanDerWaalsContact OE1-CE1 3.27Å; I564-H628 HydrophobicContact CD1-CB 4.27Å; I564-H628 WeakPolarHBondContact CD1-CD2 3.36Å; I564-H628 HydrophobicContact CG1-CB 4.4Å; I564-H628 HydrophobicContact CG2-CB 3.89Å; M568-H628 VanDerWaalsContact CE-C 3.41Å; M568-H628 HydrophobicContact CE-CB 4.17Å; M568-H628 WeakPolarHBondContact CE-O 3.28Å; D624-H628 PolarHBondContact O-CD2 2.71Å; V625-H628 PolarHBondContact O-N 3.27Å; L626-H628 PolarHBondContact O-N 2.69Å; H628-K649 WeakPolarHBondContact O-CD 3.35Å; H628-C650 PolarHBondContact ND1-N 3Å; H628-I651 HydrophobicContact CB-CG2 4.48Å; H628-I651 WeakPolarHBondContact O-CG2 3.35Å
629	S	94.6	Very high	88.9	Confident	4 Å²	4	38.4 Å²	38.4	3%	0.028	19%	0.186	C	C	.	.			trans	-81.7	121.9	179.3	179	0	0	0	0	111.4	L626 G631 F632 S633 K649	L626-S629 WeakPolarHBondContact O-CB 3.19Å; L626-S629 PolarHBondContact O-N 3.1Å; S629-G631 PolarHBondContact OG-N 3.36Å; S629-F632 PolarHBondContact OG-N 3Å; S629-F632 VanDerWaalsContact OG-N 3.14Å; S629-S633 PolarHBondContact O-N 3.41Å; S629-S633 PolarHBondContact O-OG 3.35Å; S629-K649 PolarHBondContact O-NZ 2.94Å
630	E	93.1	Very high	90.5	Very high	131 Å²	131	43.2 Å²	43.2	61%	0.612	21%	0.211	S	C	*	.	H	α-helix	trans	-68.7	-41.4	170.1	-176.8	171.5	-155	0	0	110.9	F632 S633 E634	E630-F632 PolarHBondContact O-N 3.49Å; E630-S633 WeakPolarHBondContact O-CB 3.34Å; E630-S633 PolarHBondContact O-N 3.01Å; E630-E634 HydrophobicContact CG-CG 4.47Å; E630-E634 WeakPolarHBondContact O-CG 3.33Å; E630-E634 PolarHBondContact O-N 3.28Å
631	G	92.2	Very high	91.6	Very high	9 Å²	9	45 Å²	45	9%	0.093	24%	0.235	C	C	.	.	H	α-helix	trans	-57.4	-33.9	176.3	0	0	0	0	0	113.4	F591 S629 A635	F591-G631 VanDerWaalsContact CE2-C 3.48Å; F591-G631 WeakPolarHBondContact CE2-O 3.34Å; F591-G631 VanDerWaalsContact CZ-C 3.45Å; S629-G631 PolarHBondContact OG-N 3.36Å; G631-A635 VanDerWaalsContact O-CB 3.24Å; G631-A635 WeakPolarHBondContact O-CB 3.17Å; G631-A635 PolarHBondContact O-N 3.45Å
632	F	95	Very high	92.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.9	-51.9	172.7	173.6	-93.1	0	0	0	111.5	I43 F47 F591 L626 S629 E630 E634 A635 Y636 M644	I43-F632 HydrophobicContact CG2-CZ 4.43Å; F47-F632 HydrophobicContact CB-CE2 4.37Å; F47-F632 HydrophobicContact CB-CZ 3.9Å; F47-F632 AromaticContact CD1-CE2 3.89Å; F47-F632 HydrophobicContact CD1-CE2 3.89Å; F47-F632 HydrophobicContact CD1-CZ 4.28Å; F47-F632 AromaticContact CD2-CE2 3.77Å; F47-F632 HydrophobicContact CD2-CE2 3.77Å; F47-F632 AromaticContact CD2-CZ 3.74Å; F47-F632 HydrophobicContact CD2-CZ 3.74Å; F47-F632 AromaticContact CE1-CE2 3.99Å; F47-F632 HydrophobicContact CE1-CE2 3.99Å; F47-F632 AromaticContact CE2-CE2 3.9Å; F47-F632 HydrophobicContact CE2-CE2 3.9Å; F47-F632 HydrophobicContact CE2-CZ 4.29Å; F47-F632 AromaticContact CG-CE2 3.73Å; F47-F632 HydrophobicContact CG-CE2 3.73Å; F47-F632 AromaticContact CG-CZ 3.71Å; F47-F632 HydrophobicContact CG-CZ 3.71Å; F47-F632 AromaticContact CZ-CE2 4Å; F47-F632 HydrophobicContact CZ-CE2 4Å; F591-F632 HydrophobicContact CB-CD2 3.98Å; F591-F632 HydrophobicContact CD1-CB 4.12Å; F591-F632 HydrophobicContact CD1-CD2 4.14Å; F591-F632 HydrophobicContact CD2-CB 4.34Å; F591-F632 HydrophobicContact CD2-CD2 4.18Å; F591-F632 HydrophobicContact CE1-CB 3.91Å; F591-F632 VanDerWaalsContact CE2-CA 3.5Å; F591-F632 HydrophobicContact CE2-CB 4.16Å; F591-F632 HydrophobicContact CG-CB 4.34Å; F591-F632 AromaticContact CG-CD2 3.84Å; F591-F632 HydrophobicContact CG-CD2 3.84Å; F591-F632 HydrophobicContact CZ-CB 3.95Å; L626-F632 HydrophobicContact CB-CD1 4.44Å; L626-F632 HydrophobicContact CB-CD2 4.29Å; L626-F632 HydrophobicContact CB-CG 4.22Å; L626-F632 HydrophobicContact CD1-CD2 4.01Å; L626-F632 HydrophobicContact CD1-CE2 3.93Å; L626-F632 HydrophobicContact CD2-CB 4.43Å; L626-F632 HydrophobicContact CD2-CD2 4.04Å; L626-F632 HydrophobicContact CD2-CG 4.35Å; L626-F632 HydrophobicContact CG-CD2 4.36Å; S629-F632 PolarHBondContact OG-N 3Å; S629-F632 VanDerWaalsContact OG-N 3.14Å; E630-F632 PolarHBondContact O-N 3.49Å; F632-E634 PolarHBondContact O-N 3.45Å; F632-A635 PolarHBondContact O-N 3.06Å; F632-A635 VanDerWaalsContact O-N 3.11Å; F632-Y636 AromaticContact CD2-CD2 3.7Å; F632-Y636 HydrophobicContact CD2-CD2 3.7Å; F632-Y636 AromaticContact CD2-CE2 3.96Å; F632-Y636 HydrophobicContact CD2-CE2 3.96Å; F632-Y636 AromaticContact CE2-CD2 3.43Å; F632-Y636 HydrophobicContact CE2-CD2 3.43Å; F632-Y636 VanDerWaalsContact CE2-CD2 3.43Å; F632-Y636 AromaticContact CE2-CE2 3.67Å; F632-Y636 HydrophobicContact CE2-CE2 3.67Å; F632-Y636 HydrophobicContact CE2-CG 4.24Å; F632-Y636 HydrophobicContact CG-CD2 4.46Å; F632-Y636 AromaticContact CZ-CD2 3.97Å; F632-Y636 HydrophobicContact CZ-CD2 3.97Å; F632-Y636 HydrophobicContact CZ-CG 4.37Å; F632-Y636 PolarHBondContact O-N 3.4Å; F632-Y636 VanDerWaalsContact O-N 3.07Å; F632-M644 HydrophobicContact CD1-CE 4.47Å; F632-M644 HydrophobicContact CE1-CB 3.91Å; F632-M644 HydrophobicContact CE1-CE 3.81Å; F632-M644 HydrophobicContact CZ-CE 4Å
633	S	94.3	Very high	92.6	Very high	7 Å²	7	48.8 Å²	48.8	5%	0.049	26%	0.256	C	S	.	.	H	α-helix	trans	-55.4	-41.9	179.2	-61.2	0	0	0	0	111.7	S629 E630 Q637 C638 N645 K649	S629-S633 PolarHBondContact O-N 3.41Å; S629-S633 PolarHBondContact O-OG 3.35Å; E630-S633 WeakPolarHBondContact O-CB 3.34Å; E630-S633 PolarHBondContact O-N 3.01Å; S633-Q637 CarbonylContact O-C 3.55Å; S633-Q637 VanDerWaalsContact O-CA 3.27Å; S633-Q637 WeakPolarHBondContact O-CA 3.36Å; S633-Q637 PolarHBondContact O-N 3.42Å; S633-C638 PolarHBondContact O-N 3.38Å; S633-N645 WeakPolarHBondContact CB-OD1 2.93Å; S633-N645 WeakPolarHBondContact OG-CB 3.47Å; S633-N645 PolarHBondContact OG-OD1 2.96Å; S633-K649 PolarHBondContact OG-NZ 3.39Å
634	E	92	Very high	92.7	Very high	107 Å²	107	47.8 Å²	47.8	50%	0.5	25%	0.25	S	S	.	.	H	α-helix	trans	-66.1	-46.5	175.3	-70.9	-179.9	179.7	0	0	112.6	K587 E630 F632 Y636 Q637	K587-E634 IonicContact NZ-OE2 3.53Å; E630-E634 HydrophobicContact CG-CG 4.47Å; E630-E634 WeakPolarHBondContact O-CG 3.33Å; E630-E634 PolarHBondContact O-N 3.28Å; F632-E634 PolarHBondContact O-N 3.45Å; E634-Y636 VanDerWaalsContact C-N 3.26Å; E634-Y636 PolarHBondContact O-N 3.46Å; E634-Q637 PolarHBondContact O-N 3.44Å
635	A	91.3	Very high	93.1	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-35.6	-175.5	0	0	0	0	0	112.4	K587 K588 F591 G631 F632	K587-A635 HydrophobicContact CB-CB 3.67Å; K587-A635 HydrophobicContact CD-CB 4.36Å; K588-A635 WeakPolarHBondContact CE-O 3.38Å; K588-A635 HydrophobicContact CG-CB 4.46Å; F591-A635 HydrophobicContact CD2-CB 4.11Å; F591-A635 HydrophobicContact CE2-CB 4.04Å; G631-A635 VanDerWaalsContact O-CB 3.24Å; G631-A635 WeakPolarHBondContact O-CB 3.17Å; G631-A635 PolarHBondContact O-N 3.45Å; F632-A635 PolarHBondContact O-N 3.06Å; F632-A635 VanDerWaalsContact O-N 3.11Å
636	Y	91.9	Very high	93.1	Very high	26 Å²	26	47.8 Å²	47.8	10%	0.102	25%	0.252	C	S	.	.	H	α-helix	trans	-105.3	2.6	-179.4	-71.8	-83.6	0	0	0	114.2	I43 F47 K588 F591 F632 E634 C638	I43-Y636 HydrophobicContact CD1-CD1 3.99Å; I43-Y636 HydrophobicContact CD1-CE1 4.21Å; I43-Y636 HydrophobicContact CG2-CD1 3.6Å; I43-Y636 HydrophobicContact CG2-CE1 4.38Å; I43-Y636 HydrophobicContact CG2-CG 3.8Å; F47-Y636 HydrophobicContact CE2-CD1 4.43Å; F47-Y636 AromaticContact CE2-CE1 3.84Å; F47-Y636 HydrophobicContact CE2-CE1 3.84Å; F47-Y636 AromaticContact CE2-CE2 3.98Å; F47-Y636 HydrophobicContact CE2-CE2 3.98Å; F47-Y636 AromaticContact CE2-CZ 3.58Å; F47-Y636 HydrophobicContact CZ-CE1 4.46Å; F47-Y636 HydrophobicContact CZ-CE2 4.05Å; F47-Y636 AromaticContact CZ-CZ 3.78Å; K588-Y636 HydrophobicContact CB-CE1 4.36Å; K588-Y636 HydrophobicContact CB-CE2 4.4Å; K588-Y636 HydrophobicContact CD-CE1 4.35Å; K588-Y636 HydrophobicContact CG-CD1 4.36Å; K588-Y636 HydrophobicContact CG-CE1 3.94Å; K588-Y636 HydrophobicContact CG-CE2 4.13Å; K588-Y636 PolarHBondContact O-OH 2.91Å; F591-Y636 HydrophobicContact CB-CE2 4.1Å; F591-Y636 HydrophobicContact CD2-CE2 4.36Å; F632-Y636 AromaticContact CD2-CD2 3.7Å; F632-Y636 HydrophobicContact CD2-CD2 3.7Å; F632-Y636 AromaticContact CD2-CE2 3.96Å; F632-Y636 HydrophobicContact CD2-CE2 3.96Å; F632-Y636 AromaticContact CE2-CD2 3.43Å; F632-Y636 HydrophobicContact CE2-CD2 3.43Å; F632-Y636 VanDerWaalsContact CE2-CD2 3.43Å; F632-Y636 AromaticContact CE2-CE2 3.67Å; F632-Y636 HydrophobicContact CE2-CE2 3.67Å; F632-Y636 HydrophobicContact CE2-CG 4.24Å; F632-Y636 HydrophobicContact CG-CD2 4.46Å; F632-Y636 AromaticContact CZ-CD2 3.97Å; F632-Y636 HydrophobicContact CZ-CD2 3.97Å; F632-Y636 HydrophobicContact CZ-CG 4.37Å; F632-Y636 PolarHBondContact O-N 3.4Å; F632-Y636 VanDerWaalsContact O-N 3.07Å; E634-Y636 VanDerWaalsContact C-N 3.26Å; E634-Y636 PolarHBondContact O-N 3.46Å; Y636-C638 VanDerWaalsContact C-N 3.33Å; Y636-C638 PolarHBondContact O-N 3.4Å
637	Q	91.5	Very high	93	Very high	152 Å²	152	53.6 Å²	53.6	71%	0.71	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	41.1	177.5	-56.4	177.3	-55.2	0	0	113.7	S633 E634	S633-Q637 CarbonylContact O-C 3.55Å; S633-Q637 VanDerWaalsContact O-CA 3.27Å; S633-Q637 WeakPolarHBondContact O-CA 3.36Å; S633-Q637 PolarHBondContact O-N 3.42Å; E634-Q637 PolarHBondContact O-N 3.44Å
638	C	93.7	Very high	92.9	Very high	8 Å²	8	58.3 Å²	58.3	5%	0.054	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-75.3	128.1	178.2	-64.2	0	0	0	0	111.7	C44 S633 Y636 N645	C44-C638 VanDerWaalsContact CA-SG 3.52Å; C44-C638 HydrophobicContact CB-CB 3.76Å; C44-C638 WeakPolarHBondContact CB-SG 2.92Å; C44-C638 WeakPolarHBondContact SG-CA 3.37Å; C44-C638 WeakPolarHBondContact SG-CB 2.95Å; C44-C638 CovalentContact SG-SG 2.05Å; C44-C638 PolarHBondContact SG-SG 2.91Å; S633-C638 PolarHBondContact O-N 3.38Å; Y636-C638 VanDerWaalsContact C-N 3.33Å; Y636-C638 PolarHBondContact O-N 3.4Å; C638-N645 HydrophobicContact CB-CB 3.9Å; C638-N645 PolarHBondContact O-ND2 2.92Å
639	E	93	Very high	92.8	Very high	164 Å²	164	60.5 Å²	60.5	77%	0.766	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-65.3	143.6	178.7	-63.6	-174.1	171.9	0	0	112.1	G641 S642 N645	E639-G641 PolarHBondContact O-N 2.94Å; E639-S642 WeakPolarHBondContact O-CB 3.36Å; E639-S642 PolarHBondContact O-N 3.37Å; E639-S642 VanDerWaalsContact O-N 3.12Å; E639-S642 PolarHBondContact O-OG 3.35Å; E639-N645 WeakPolarHBondContact O-CB 3.39Å
640	I	94.4	Very high	92.6	Very high	135 Å²	135	60.4 Å²	60.4	69%	0.692	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	128	175.7	-63.6	172.5	0	0	0	109.2	V647	I640-V647 HydrophobicContact CG2-CG2 3.99Å
641	G	91.3	Very high	92.3	Very high	53 Å²	53	58.3 Å²	58.3	55%	0.546	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	-10.3	-176.2	0	0	0	0	0	114.3	E639 N645	E639-G641 PolarHBondContact O-N 2.94Å; G641-N645 PolarHBondContact N-O 3.2Å
642	S	92.1	Very high	91.7	Very high	25 Å²	25	60.6 Å²	60.6	18%	0.175	32%	0.315	C	S	.	.	S	Bend	trans	-65.9	161.8	166.9	62	0	0	0	0	111.5	E639 M644 N645	E639-S642 WeakPolarHBondContact O-CB 3.36Å; E639-S642 PolarHBondContact O-N 3.37Å; E639-S642 VanDerWaalsContact O-N 3.12Å; E639-S642 PolarHBondContact O-OG 3.35Å; S642-M644 VanDerWaalsContact C-N 3.27Å; S642-M644 PolarHBondContact O-N 3.16Å; S642-N645 CarbonylContact O-C 3.01Å; S642-N645 PolarHBondContact O-N 2.99Å; S642-N645 WeakPolarHBondContact OG-CB 3.3Å; S642-N645 PolarHBondContact OG-N 2.87Å
643	I	90.5	Very high	91.5	Very high	112 Å²	112	63.7 Å²	63.7	57%	0.574	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-41.8	-178.2	-63.7	175.3	0	0	0	111.1	N645	I643-N645 VanDerWaalsContact C-N 3.33Å
644	M	93.6	Very high	91.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.3	179.3	-61.7	-63.8	-59.9	0	0	113.8	C44 F47 N623 L626 K627 F632 S642	C44-M644 VanDerWaalsContact O-CB 3.26Å; C44-M644 WeakPolarHBondContact O-CB 3.46Å; C44-M644 WeakPolarHBondContact O-CG 3.32Å; C44-M644 PolarHBondContact O-N 2.93Å; F47-M644 HydrophobicContact CB-CE 3.73Å; F47-M644 HydrophobicContact CB-SD 4.43Å; N623-M644 HydrophobicContact CB-CE 4.3Å; N623-M644 HydrophobicContact CB-SD 3.78Å; N623-M644 PolarHBondContact OD1-SD 2.98Å; L626-M644 HydrophobicContact CB-CE 3.67Å; K627-M644 WeakPolarHBondContact CA-O 3.39Å; F632-M644 HydrophobicContact CD1-CE 4.47Å; F632-M644 HydrophobicContact CE1-CB 3.91Å; F632-M644 HydrophobicContact CE1-CE 3.81Å; F632-M644 HydrophobicContact CZ-CE 4Å; S642-M644 VanDerWaalsContact C-N 3.27Å; S642-M644 PolarHBondContact O-N 3.16Å
645	N	95.3	Very high	91.3	Very high	14 Å²	14	64.4 Å²	64.4	8%	0.075	34%	0.337	C	S	.	.	S	Bend	trans	-139.4	64.6	172.8	-168	27.2	0	0	0	111.5	S633 C638 E639 G641 S642 I643 K649	S633-N645 WeakPolarHBondContact CB-OD1 2.93Å; S633-N645 WeakPolarHBondContact OG-CB 3.47Å; S633-N645 PolarHBondContact OG-OD1 2.96Å; C638-N645 HydrophobicContact CB-CB 3.9Å; C638-N645 PolarHBondContact O-ND2 2.92Å; E639-N645 WeakPolarHBondContact O-CB 3.39Å; G641-N645 PolarHBondContact N-O 3.2Å; S642-N645 CarbonylContact O-C 3.01Å; S642-N645 PolarHBondContact O-N 2.99Å; S642-N645 WeakPolarHBondContact OG-CB 3.3Å; S642-N645 PolarHBondContact OG-N 2.87Å; I643-N645 VanDerWaalsContact C-N 3.33Å; N645-K649 WeakPolarHBondContact OD1-CE 3.41Å; N645-K649 PolarHBondContact OD1-NZ 2.76Å
646	P	93.1	Very high	91.3	Very high	27 Å²	27	68.1 Å²	68.1	18%	0.175	36%	0.356	C	S	.	.			trans	-61.8	149.5	-180	27.8	-35.7	0	0	0	111.2	K627 R648 K649	K627-P646 VanDerWaalsContact O-CD 3.31Å; K627-P646 WeakPolarHBondContact O-CD 3.29Å; P646-R648 PolarHBondContact O-N 2.88Å; P646-K649 HydrophobicContact CG-CG 4.43Å
647	V	92.5	Very high	91.3	Very high	123 Å²	123	70.7 Å²	70.7	75%	0.745	37%	0.372	S	S	*	.	S	Bend	trans	-57	-39.5	178.7	-178.4	0	0	0	0	111.6	I640	I640-V647 HydrophobicContact CG2-CG2 3.99Å
648	R	91.1	Very high	91.3	Very high	125 Å²	125	65.3 Å²	65.3	47%	0.472	35%	0.349	S	S	.	.	S	Bend	trans	-106.9	107.5	177.2	-176.8	176.7	175.5	-166	-7	109.5	E545 Q546 P646	E545-R648 IonicContact OE2-CZ 2.73Å; E545-R648 IonicContact OE2-NH1 2.7Å; E545-R648 PolarHBondContact OE2-NH1 2.66Å; E545-R648 IonicContact OE2-NH2 3.82Å; Q546-R648 PolarHBondContact NE2-O 2.81Å; P646-R648 PolarHBondContact O-N 2.88Å
649	K	92.9	Very high	91.1	Very high	46 Å²	46	69.4 Å²	69.4	20%	0.2	37%	0.37	C	S	.	.			trans	-90.2	134.9	171.5	-67.1	173.3	176.8	-83	0	110	K627 H628 S629 S633 N645 P646 I651	K627-K649 PolarHBondContact O-NZ 3.49Å; H628-K649 WeakPolarHBondContact O-CD 3.35Å; S629-K649 PolarHBondContact O-NZ 2.94Å; S633-K649 PolarHBondContact OG-NZ 3.39Å; N645-K649 WeakPolarHBondContact OD1-CE 3.41Å; N645-K649 PolarHBondContact OD1-NZ 2.76Å; P646-K649 HydrophobicContact CG-CG 4.43Å; K649-I651 HydrophobicContact CB-CG2 4.14Å; K649-I651 PolarHBondContact O-N 2.87Å
650	C	90.1	Very high	91	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.014	34%	0.34	C	S	.	.			trans	-92.6	75.9	-179.7	-56	0	0	0	0	110.6	Q539 C542 L543 Q546 H628	Q539-C650 WeakPolarHBondContact CG-O 3.21Å; Q539-C650 PolarHBondContact NE2-O 2.57Å; C542-C650 HydrophobicContact CB-CB 3.61Å; C542-C650 WeakPolarHBondContact CB-SG 3.44Å; C542-C650 PolarHBondContact O-SG 3.25Å; C542-C650 WeakPolarHBondContact SG-CA 3.01Å; C542-C650 WeakPolarHBondContact SG-CB 3.26Å; C542-C650 CovalentContact SG-SG 2.04Å; C542-C650 PolarHBondContact SG-SG 3.07Å; L543-C650 HydrophobicContact CD2-CB 3.47Å; L543-C650 VanDerWaalsContact CD2-CB 3.47Å; L543-C650 HydrophobicContact CG-CB 3.83Å; Q546-C650 VanDerWaalsContact CD-SG 3.55Å; Q546-C650 PolarHBondContact NE2-SG 3.19Å; Q546-C650 VanDerWaalsContact NE2-SG 3.38Å; H628-C650 PolarHBondContact ND1-N 3Å
651	I	85.7	Confident	90.7	Very high	88 Å²	88	56 Å²	56	45%	0.451	31%	0.311	S	S	.	.			trans	-103.9	149.4	-179.9	65.7	179	0	0	0	110.1	M568 H628 K649	M568-I651 HydrophobicContact CE-CB 4.37Å; M568-I651 HydrophobicContact CE-CG2 3.36Å; M568-I651 HydrophobicContact SD-CB 4.3Å; M568-I651 HydrophobicContact SD-CG2 3.89Å; H628-I651 HydrophobicContact CB-CG2 4.48Å; H628-I651 WeakPolarHBondContact O-CG2 3.35Å; K649-I651 HydrophobicContact CB-CG2 4.14Å; K649-I651 PolarHBondContact O-N 2.87Å
652	L	80.1	Confident	90.6	Very high	57 Å²	57	56.3 Å²	56.3	30%	0.298	29%	0.289	S	S	.	.			trans	-67.8	0	178.9	178.8	56.9	0	0	0	111.1	R385 L513 P535 F536 N565	R385-L652 PolarHBondContact NH2-O 2.62Å; R385-L652 PolarHBondContact NH2-OXT 3.41Å; L513-L652 HydrophobicContact CD2-CD2 4.47Å; P535-L652 HydrophobicContact CB-CD1 4.26Å; F536-L652 HydrophobicContact CB-CD1 3.95Å; F536-L652 HydrophobicContact CD2-CD1 4.17Å; N565-L652 WeakPolarHBondContact ND2-CB 3.38Å; N565-L652 VanDerWaalsContact OD1-CB 3.24Å; N565-L652 WeakPolarHBondContact OD1-CB 3.02Å; N565-L652 PolarHBondContact OD1-N 2.68Å

Retrieved 652 of 652 residues in 1462.5 ms (Link to these results)

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