A0A5K4F399_SCHMA Loading...

Choline dehydrogenase

AlphaFold DB , UniProt , Accession A0A5K4F399, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 580 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	29.2	Very low	36.8	Very low	213 Å²	213	88.4 Å²	88.4	100%	1.049	45%	0.452	S	S	*	.				0	-52.4	0	-106.1	-173.7	-88.1	0	0	112.2	F3 S4 R5	M1-F3 PolarHBondContact O-N 3.06Å; M1-S4 WeakPolarHBondContact O-CB 3.02Å; M1-S4 PolarHBondContact O-N 3.41Å; M1-S4 VanDerWaalsContact O-N 3.11Å; M1-R5 PolarHBondContact O-N 2.87Å
2	L	31.7	Very low	37	Very low	73 Å²	73	95.8 Å²	95.8	38%	0.382	47%	0.47	S	S	.	.	H	α-helix	trans	-59	-43.7	176	-76.5	159.9	0	0	0	113.4	S4 R5 A6 E408 P507	L2-S4 VanDerWaalsContact C-N 3.28Å; L2-S4 PolarHBondContact O-N 3.11Å; L2-R5 CarbonylContact O-C 3.56Å; L2-R5 WeakPolarHBondContact O-CA 3.22Å; L2-R5 WeakPolarHBondContact O-CB 3.44Å; L2-R5 PolarHBondContact O-N 3.11Å; L2-A6 PolarHBondContact O-N 2.94Å; L2-E408 HydrophobicContact CD2-CB 4.21Å; L2-P507 HydrophobicContact CD1-CG 4.4Å
3	F	33.6	Very low	37.1	Very low	156 Å²	156	91.3 Å²	91.3	68%	0.684	46%	0.457	S	S	*	.	H	α-helix	trans	-58.5	-39.2	173.1	-163.5	-96	0	0	0	112.4	M1 A6 V7	M1-F3 PolarHBondContact O-N 3.06Å; F3-A6 PolarHBondContact O-N 3.5Å; F3-V7 HydrophobicContact CD1-CG2 3.82Å; F3-V7 HydrophobicContact CE1-CG2 3.65Å; F3-V7 HydrophobicContact CZ-CG2 4.25Å; F3-V7 VanDerWaalsContact O-CB 3.26Å; F3-V7 WeakPolarHBondContact O-CB 3.37Å; F3-V7 WeakPolarHBondContact O-CG2 3.27Å; F3-V7 PolarHBondContact O-N 2.97Å
4	S	34.5	Very low	36.7	Very low	70 Å²	70	94.4 Å²	94.4	49%	0.49	46%	0.463	S	S	.	.	H	α-helix	trans	-69.4	-34.1	174.9	176	0	0	0	0	112.4	M1 L2 N8	M1-S4 WeakPolarHBondContact O-CB 3.02Å; M1-S4 PolarHBondContact O-N 3.41Å; M1-S4 VanDerWaalsContact O-N 3.11Å; L2-S4 VanDerWaalsContact C-N 3.28Å; L2-S4 PolarHBondContact O-N 3.11Å; S4-N8 WeakPolarHBondContact O-CB 3.13Å; S4-N8 PolarHBondContact O-N 2.86Å; S4-N8 PolarHBondContact O-ND2 3.17Å
5	R	36.2	Very low	36.6	Very low	116 Å²	116	100.2 Å²	100.2	44%	0.438	48%	0.484	S	S	.	.	H	α-helix	trans	-67.8	-46.5	171.8	-88.8	-171.1	172.2	-171.3	-0.5	111.6	M1 L2 N8 V9 E408	M1-R5 PolarHBondContact O-N 2.87Å; L2-R5 CarbonylContact O-C 3.56Å; L2-R5 WeakPolarHBondContact O-CA 3.22Å; L2-R5 WeakPolarHBondContact O-CB 3.44Å; L2-R5 PolarHBondContact O-N 3.11Å; R5-N8 CarbonylContact O-C 3.58Å; R5-N8 WeakPolarHBondContact O-CA 3.42Å; R5-N8 WeakPolarHBondContact O-CB 3.32Å; R5-N8 PolarHBondContact O-N 2.63Å; R5-V9 WeakPolarHBondContact O-CG2 3.39Å; R5-V9 PolarHBondContact O-N 3.36Å; R5-E408 IonicContact NH1-OE1 2.99Å; R5-E408 PolarHBondContact NH1-OE1 3.37Å
6	A	38.5	Very low	36.7	Very low	10 Å²	10	105.9 Å²	105.9	8%	0.083	50%	0.499	C	S	.	.	H	α-helix	trans	-63.8	-42.7	177.1	0	0	0	0	0	111.9	L2 F3 N8 V9 L10 F413	L2-A6 PolarHBondContact O-N 2.94Å; F3-A6 PolarHBondContact O-N 3.5Å; A6-N8 VanDerWaalsContact C-N 3.3Å; A6-N8 PolarHBondContact O-N 2.82Å; A6-V9 PolarHBondContact O-N 2.94Å; A6-L10 WeakPolarHBondContact O-CB 3.41Å; A6-L10 WeakPolarHBondContact O-CG 3.45Å; A6-L10 PolarHBondContact O-N 3.02Å; A6-F413 HydrophobicContact CB-CE1 4.14Å; A6-F413 HydrophobicContact CB-CZ 3.58Å
7	V	39.5	Very low	36	Very low	54 Å²	54	104.1 Å²	104.1	33%	0.327	50%	0.499	S	S	.	.	H	α-helix	trans	-61.2	-38.9	170.2	170.5	0	0	0	0	110.7	F3 L10 L11	F3-V7 HydrophobicContact CD1-CG2 3.82Å; F3-V7 HydrophobicContact CE1-CG2 3.65Å; F3-V7 HydrophobicContact CZ-CG2 4.25Å; F3-V7 VanDerWaalsContact O-CB 3.26Å; F3-V7 WeakPolarHBondContact O-CB 3.37Å; F3-V7 WeakPolarHBondContact O-CG2 3.27Å; F3-V7 PolarHBondContact O-N 2.97Å; V7-L10 PolarHBondContact O-N 3.49Å; V7-L11 HydrophobicContact CG1-CD1 3.83Å; V7-L11 HydrophobicContact CG1-CG 4.23Å; V7-L11 VanDerWaalsContact O-CB 3.28Å; V7-L11 WeakPolarHBondContact O-CB 3.15Å; V7-L11 WeakPolarHBondContact O-CG 2.92Å; V7-L11 PolarHBondContact O-N 3Å
8	N	42.6	Very low	35.7	Very low	75 Å²	75	104.3 Å²	104.3	40%	0.401	51%	0.51	S	S	.	.	H	α-helix	trans	-68.6	-34.1	174.3	-83.3	-47.1	0	0	0	113.1	S4 R5 A6 L11 R12	S4-N8 WeakPolarHBondContact O-CB 3.13Å; S4-N8 PolarHBondContact O-N 2.86Å; S4-N8 PolarHBondContact O-ND2 3.17Å; R5-N8 CarbonylContact O-C 3.58Å; R5-N8 WeakPolarHBondContact O-CA 3.42Å; R5-N8 WeakPolarHBondContact O-CB 3.32Å; R5-N8 PolarHBondContact O-N 2.63Å; A6-N8 VanDerWaalsContact C-N 3.3Å; A6-N8 PolarHBondContact O-N 2.82Å; N8-L11 PolarHBondContact O-N 3.42Å; N8-R12 VanDerWaalsContact O-CB 3.32Å; N8-R12 WeakPolarHBondContact O-CB 3.38Å; N8-R12 WeakPolarHBondContact O-CG 3.5Å; N8-R12 PolarHBondContact O-N 2.75Å
9	V	42.8	Very low	35.3	Very low	51 Å²	51	109.2 Å²	109.2	31%	0.309	52%	0.524	S	S	.	.	H	α-helix	trans	-67.1	-45.2	172.8	170.6	0	0	0	0	109.5	R5 A6 R12 A13	R5-V9 WeakPolarHBondContact O-CG2 3.39Å; R5-V9 PolarHBondContact O-N 3.36Å; A6-V9 PolarHBondContact O-N 2.94Å; V9-R12 PolarHBondContact O-N 3.24Å; V9-A13 WeakPolarHBondContact O-CB 3.15Å; V9-A13 PolarHBondContact O-N 3.39Å
10	L	38	Very low	34.9	Very low	68 Å²	68	110.3 Å²	110.3	36%	0.356	53%	0.533	S	S	.	.	H	α-helix	trans	-59.6	-44.9	172.2	-77.5	165.8	0	0	0	111.4	A6 V7 R12 A13 Y14	A6-L10 WeakPolarHBondContact O-CB 3.41Å; A6-L10 WeakPolarHBondContact O-CG 3.45Å; A6-L10 PolarHBondContact O-N 3.02Å; V7-L10 PolarHBondContact O-N 3.49Å; L10-R12 PolarHBondContact O-N 3.01Å; L10-A13 PolarHBondContact O-N 2.85Å; L10-Y14 VanDerWaalsContact O-CB 3.22Å; L10-Y14 WeakPolarHBondContact O-CB 3.46Å; L10-Y14 PolarHBondContact O-N 3.13Å
11	L	38	Very low	34.5	Very low	86 Å²	86	114.1 Å²	114.1	45%	0.45	55%	0.55	S	S	.	*	H	α-helix	trans	-66.3	-35.2	176.5	-75.1	168.7	0	0	0	112.2	V7 N8 Y14 K15	V7-L11 HydrophobicContact CG1-CD1 3.83Å; V7-L11 HydrophobicContact CG1-CG 4.23Å; V7-L11 VanDerWaalsContact O-CB 3.28Å; V7-L11 WeakPolarHBondContact O-CB 3.15Å; V7-L11 WeakPolarHBondContact O-CG 2.92Å; V7-L11 PolarHBondContact O-N 3Å; N8-L11 PolarHBondContact O-N 3.42Å; L11-Y14 PolarHBondContact O-N 2.88Å; L11-K15 WeakPolarHBondContact O-CB 3.09Å; L11-K15 WeakPolarHBondContact O-CG 3.48Å; L11-K15 PolarHBondContact O-N 3.02Å
12	R	39.9	Very low	34.4	Very low	178 Å²	178	110.7 Å²	110.7	67%	0.672	54%	0.541	S	S	*	.	H	α-helix	trans	-71	-39.3	174.4	-77.6	175.4	-169.3	-173	4.3	111.6	N8 V9 L10 Y14 R16	N8-R12 VanDerWaalsContact O-CB 3.32Å; N8-R12 WeakPolarHBondContact O-CB 3.38Å; N8-R12 WeakPolarHBondContact O-CG 3.5Å; N8-R12 PolarHBondContact O-N 2.75Å; V9-R12 PolarHBondContact O-N 3.24Å; L10-R12 PolarHBondContact O-N 3.01Å; R12-Y14 VanDerWaalsContact C-N 3.33Å; R12-R16 WeakPolarHBondContact O-CG 3.36Å; R12-R16 PolarHBondContact O-N 3.47Å
13	A	37.5	Very low	34.1	Very low	37 Å²	37	111.9 Å²	111.9	31%	0.306	56%	0.556	S	S	.	*	H	α-helix	trans	-64.8	-40.4	172.3	0	0	0	0	0	110.7	V9 L10 R16	V9-A13 WeakPolarHBondContact O-CB 3.15Å; V9-A13 PolarHBondContact O-N 3.39Å; L10-A13 PolarHBondContact O-N 2.85Å; A13-R16 WeakPolarHBondContact O-CB 3.19Å; A13-R16 PolarHBondContact O-N 3.09Å; A13-R16 VanDerWaalsContact O-N 3.15Å
14	Y	31.6	Very low	33.8	Very low	135 Å²	135	111.5 Å²	111.5	53%	0.529	57%	0.566	S	S	.	*	H	α-helix	trans	-64.5	-44.2	176	-165.8	-96.5	0	0	0	111.9	L10 L11 R12 R16 C17	L10-Y14 VanDerWaalsContact O-CB 3.22Å; L10-Y14 WeakPolarHBondContact O-CB 3.46Å; L10-Y14 PolarHBondContact O-N 3.13Å; L11-Y14 PolarHBondContact O-N 2.88Å; R12-Y14 VanDerWaalsContact C-N 3.33Å; Y14-R16 PolarHBondContact O-N 2.92Å; Y14-C17 WeakPolarHBondContact O-CB 3.39Å; Y14-C17 PolarHBondContact O-N 3.01Å
15	K	35.1	Very low	33.2	Very low	181 Å²	181	114.5 Å²	114.5	79%	0.787	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-15	173.5	-77.9	-175.8	178.4	-172.3	0	114.3	L11	L11-K15 WeakPolarHBondContact O-CB 3.09Å; L11-K15 WeakPolarHBondContact O-CG 3.48Å; L11-K15 PolarHBondContact O-N 3.02Å
16	R	38.2	Very low	32.5	Very low	192 Å²	192	115 Å²	115	73%	0.725	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-6	173.4	-74.8	172.2	174.9	-176	-4.2	112.8	R12 A13 Y14	R12-R16 WeakPolarHBondContact O-CG 3.36Å; R12-R16 PolarHBondContact O-N 3.47Å; A13-R16 WeakPolarHBondContact O-CB 3.19Å; A13-R16 PolarHBondContact O-N 3.09Å; A13-R16 VanDerWaalsContact O-N 3.15Å; Y14-R16 PolarHBondContact O-N 2.92Å
17	C	25.6	Very low	31.7	Very low	74 Å²	74	123.1 Å²	123.1	50%	0.5	64%	0.637	S	S	.	*	S	Bend	trans	-85.1	121.7	173.6	-147.3	0	0	0	0	108.4	Y14 Y19	Y14-C17 WeakPolarHBondContact O-CB 3.39Å; Y14-C17 PolarHBondContact O-N 3.01Å; C17-Y19 PolarHBondContact O-N 2.81Å
18	P	30.3	Very low	30.8	Very low	108 Å²	108	128.1 Å²	128.1	70%	0.701	66%	0.66	S	S	*	*	S	Bend	trans	-80.8	43.1	-166.9	34	-36	0	0	0	112.6
19	Y	28.1	Very low	29.8	Very low	197 Å²	197	136.3 Å²	136.3	77%	0.773	69%	0.686	S	S	*	*			trans	-155.6	130.1	165.2	-76.3	-75.1	0	0	0	109.6	C17	C17-Y19 PolarHBondContact O-N 2.81Å
20	N	27.7	Very low	28.8	Very low	132 Å²	132	141.9 Å²	141.9	71%	0.706	71%	0.713	S	S	*	*			trans	119.3	102.9	157.4	-59.4	-20.6	0	0	0	116.3
21	E	26.6	Very low	27.9	Very low	190 Å²	190	144.8 Å²	144.8	89%	0.888	74%	0.737	S	S	*	*			trans	-56.8	130.3	149.7	-60.3	176.9	149.9	0	0	109.5
22	V	26.2	Very low	27.1	Very low	142 Å²	142	147.1 Å²	147.1	86%	0.861	76%	0.755	S	S	*	*			trans	-166.2	130.8	133.2	173.3	0	0	0	0	108.5
23	S	26.4	Very low	26.2	Very low	98 Å²	98	148.8 Å²	148.8	69%	0.685	77%	0.768	S	S	*	*			trans	-75.8	143.3	176.7	55.8	0	0	0	0	114.5
24	T	26.4	Very low	25.5	Very low	147 Å²	147	156.8 Å²	156.8	90%	0.902	80%	0.796	S	S	*	*				-172.5	139.8	123	13.4	0	0	0	0	112.4
25	V	23.3	Very low	25.2	Very low	133 Å²	133	154.9 Å²	154.9	81%	0.806	81%	0.808	S	S	*	*			trans	-94.9	137.7	-172.2	170.3	0	0	0	0	109.7	Q27	V25-Q27 HydrophobicContact CG1-CG 4.45Å
26	C	20.5	Very low	25.4	Very low	126 Å²	126	151.4 Å²	151.4	85%	0.851	80%	0.804	S	S	*	*			trans	-126.5	114.8	168.7	-142.9	0	0	0	0	109.7
27	Q	21.2	Very low	24.7	Very low	181 Å²	181	152.2 Å²	152.2	85%	0.846	81%	0.813	S	S	*	*			trans	-83.7	131.3	-179.4	-74.8	179.7	-19.5	0	0	110.9	V25	V25-Q27 HydrophobicContact CG1-CG 4.45Å
28	I	21.8	Very low	24.5	Very low	159 Å²	159	156.8 Å²	156.8	82%	0.815	83%	0.833	S	S	*	*			trans	-121.2	121.3	171.8	-61.9	176.2	0	0	0	108.5
29	R	19.8	Very low	24.1	Very low	247 Å²	247	159 Å²	159	93%	0.932	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-79.4	131.5	179.4	-81.8	179	172.2	177.1	-2.6	111.3
30	L	22.4	Very low	23.7	Very low	169 Å²	169	157.5 Å²	157.5	89%	0.885	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-97.7	124.4	175.9	-80.7	153.5	0	0	0	110.3
31	C	19.4	Very low	23.4	Very low	128 Å²	128	159.8 Å²	159.8	87%	0.865	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-93.8	136.6	172.2	-73.5	0	0	0	0	111.1
32	T	21	Very low	23.2	Very low	135 Å²	135	157 Å²	157	83%	0.828	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-94.3	141.3	-179.4	44.1	0	0	0	0	111.2
33	F	21	Very low	23.1	Very low	213 Å²	213	156 Å²	156	93%	0.934	85%	0.846	S	S	*	*			trans	-129.4	132	171.6	-115.9	-90.9	0	0	0	109.9
34	K	22.5	Very low	23.1	Very low	205 Å²	205	156 Å²	156	89%	0.891	85%	0.852	S	S	*	*			trans	-113.7	142.3	174.4	-81.2	-178.2	174	179.6	0	108.8
35	A	25.5	Very low	23	Very low	95 Å²	95	160.4 Å²	160.4	79%	0.785	85%	0.852	S	S	*	*			trans	-153.4	137.1	160.1	0	0	0	0	0	111.1
36	P	38.8	Very low	23.4	Very low	108 Å²	108	160.3 Å²	160.3	70%	0.701	86%	0.855	S	S	*	*			trans	-111.2	144.9	-177.5	37.9	-27.3	0	0	0	112.7
37	F	25.1	Very low	23.8	Very low	210 Å²	210	158.4 Å²	158.4	92%	0.921	84%	0.843	S	S	*	*			trans	-153.1	145.6	159	-83	-68.9	0	0	0	113.1
38	N	21.5	Very low	24	Very low	170 Å²	170	157 Å²	157	91%	0.909	85%	0.846	S	S	*	*			trans	-82.6	154.5	-167.8	-80.2	-30.5	0	0	0	114.8
39	I	21.9	Very low	24.4	Very low	155 Å²	155	156.9 Å²	156.9	80%	0.795	84%	0.84	S	S	*	*			trans	-103.1	137.5	-171.5	-65.2	165.4	0	0	0	109.8
40	I	19.5	Very low	24.9	Very low	165 Å²	165	152 Å²	152	85%	0.846	83%	0.832	S	S	*	*			trans	-121	127.2	166.1	-61.9	177.5	0	0	0	108.2
41	Q	21.5	Very low	25.3	Very low	179 Å²	179	150.6 Å²	150.6	84%	0.836	83%	0.825	S	S	*	*			trans	-81.4	140.3	178.4	-76.5	170.7	-56.7	0	0	111.5
42	C	21.4	Very low	25.9	Very low	132 Å²	132	147.9 Å²	147.9	89%	0.892	81%	0.806	S	S	*	*			trans	-141.2	146.9	157.2	-93.8	0	0	0	0	110.7
43	S	24.2	Very low	26.3	Very low	121 Å²	121	145.4 Å²	145.4	85%	0.846	79%	0.794	S	S	*	*			trans	-80.3	145.2	-157.1	49.2	0	0	0	0	116.1
44	A	25.7	Very low	27	Very low	98 Å²	98	141.1 Å²	141.1	81%	0.81	78%	0.776	S	S	*	*			trans	-78	152.9	178	0	0	0	0	0	114.3
45	R	25.8	Very low	27.8	Very low	240 Å²	240	134.4 Å²	134.4	91%	0.906	75%	0.747	S	S	*	*			trans	-127.8	151.7	156.6	-83.5	-172.8	178.2	-177.2	0.4	109.3
46	P	30.8	Very low	28.4	Very low	131 Å²	131	131.2 Å²	131.2	85%	0.851	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-91	145.2	-158.8	13.5	4.3	0	0	0	113.2
47	S	28.9	Very low	28.4	Very low	86 Å²	86	127 Å²	127	60%	0.601	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-102.4	156.3	-177.2	43.9	0	0	0	0	112.7
48	V	26.1	Very low	29	Very low	150 Å²	150	118.8 Å²	118.8	91%	0.909	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-99.1	145.3	173	177.2	0	0	0	0	108.8
49	F	29.6	Very low	29.9	Very low	158 Å²	158	115.1 Å²	115.1	69%	0.693	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-93.9	139	-159.9	-80	-103.6	0	0	0	114.2
50	L	29.6	Very low	30.8	Very low	145 Å²	145	115 Å²	115	76%	0.759	64%	0.641	S	S	*	*			trans	-107.5	148.5	148.2	-82.8	163.6	0	0	0	108.8	P52	L50-P52 WeakPolarHBondContact O-CD 3.3Å; L50-P52 WeakPolarHBondContact O-CG 3.33Å
51	D	30.8	Very low	32.4	Very low	138 Å²	138	116.7 Å²	116.7	74%	0.738	64%	0.642	S	S	*	*			trans	-68.7	107.3	-167.5	-164.5	-6	0	0	0	112.7	S53	D51-S53 PolarHBondContact O-N 3.22Å
52	P	31.8	Very low	34.5	Very low	72 Å²	72	109.6 Å²	109.6	47%	0.468	61%	0.611	S	S	.	*			trans	-95.1	25.2	-167.9	11	8.8	0	0	0	114.6	L50 E54	L50-P52 WeakPolarHBondContact O-CD 3.3Å; L50-P52 WeakPolarHBondContact O-CG 3.33Å; P52-E54 PolarHBondContact O-N 3.38Å
53	S	30.4	Very low	37.1	Very low	82 Å²	82	108.7 Å²	108.7	57%	0.573	60%	0.597	S	S	*	*			trans	-76.4	-10.5	-173.7	57.5	0	0	0	0	116	D51	D51-S53 PolarHBondContact O-N 3.22Å
54	E	34.8	Very low	40.2	Very low	123 Å²	123	103.9 Å²	103.9	58%	0.575	56%	0.56	S	S	*	*	S	Bend	trans	-86.4	-20.5	-160	-74.7	-164.9	148.4	0	0	118.2	P52	P52-E54 PolarHBondContact O-N 3.38Å
55	F	41.1	Very low	43.3	Very low	64 Å²	64	103 Å²	103	28%	0.281	54%	0.538	S	S	.	.			trans	-141.8	102.9	-169.8	-50.8	-70.2	0	0	0	113.3	P569 H573	F55-P569 HydrophobicContact CD1-CG 3.37Å; F55-P569 HydrophobicContact CE1-CG 3.57Å; F55-P569 HydrophobicContact CG-CG 4.22Å; F55-H573 AromaticContact CE1-CE1 3.73Å; F55-H573 AromaticContact CE2-CE1 3.88Å; F55-H573 AromaticContact CE2-ND1 3.61Å; F55-H573 AromaticContact CZ-CE1 3.26Å; F55-H573 WeakPolarHBondContact CZ-CE1 2.93Å; F55-H573 AromaticContact CZ-ND1 3.49Å; F55-H573 WeakPolarHBondContact CZ-ND1 3.44Å
56	L	36.8	Very low	46.7	Very low	29 Å²	29	91.6 Å²	91.6	15%	0.152	50%	0.495	C	S	.	.			trans	-135.6	134.2	-175.4	-62.7	-179.7	0	0	0	110.3	H183 L324 I328	L56-H183 PolarHBondContact O-CE1 3.06Å; L56-H183 PolarHBondContact O-NE2 2.74Å; L56-L324 HydrophobicContact CB-CD1 4.38Å; L56-L324 HydrophobicContact CB-CG 4.24Å; L56-L324 HydrophobicContact CD1-CD2 4.19Å; L56-L324 HydrophobicContact CD1-CG 4.1Å; L56-I328 HydrophobicContact CD2-CB 3.44Å; L56-I328 VanDerWaalsContact CD2-CB 3.44Å; L56-I328 HydrophobicContact CD2-CD1 4.45Å; L56-I328 HydrophobicContact CD2-CG1 3.92Å
57	V	40	Very low	49.9	Very low	18 Å²	18	85.3 Å²	85.3	11%	0.109	46%	0.455	C	S	.	.			trans	-130.1	116.6	167.4	-170.2	0	0	0	0	112.4	Q182 H183 I328 A557	V57-Q182 WeakPolarHBondContact CG1-O 3.41Å; V57-Q182 HydrophobicContact CG2-CB 3.45Å; V57-Q182 VanDerWaalsContact CG2-CB 3.45Å; V57-Q182 HydrophobicContact CG2-CG 4.41Å; V57-H183 VanDerWaalsContact CA-NE2 3.3Å; V57-H183 WeakPolarHBondContact CA-NE2 3.44Å; V57-I328 VanDerWaalsContact N-CD1 3.27Å; V57-I328 WeakPolarHBondContact O-CD1 3.22Å; V57-A557 HydrophobicContact CG1-CB 3.91Å; V57-A557 HydrophobicContact CG2-CB 4.34Å
58	S	37.8	Very low	53.2	Low	39 Å²	39	81.2 Å²	81.2	27%	0.273	43%	0.426	S	S	.	.			trans	-69.7	139.9	176.1	-179.5	0	0	0	0	112.7	R60 H183	S58-R60 PolarHBondContact OG-N 3.21Å; S58-H183 PolarHBondContact N-CD2 2.93Å; S58-H183 VanDerWaalsContact N-CD2 3.3Å; S58-H183 PolarHBondContact N-NE2 3.1Å
59	A	39.3	Very low	56.6	Low	92 Å²	92	74.1 Å²	74.1	76%	0.76	38%	0.383	S	S	*	.	S	Bend	trans	-84	-6.4	174.7	0	0	0	0	0	113.9	I561	A59-I561 HydrophobicContact CB-CD1 3.99Å
60	R	41.2	Very low	59.8	Low	154 Å²	154	67.1 Å²	67.1	58%	0.581	35%	0.353	S	S	*	.	S	Bend	trans	-78.2	144.4	173.8	-75.2	176.8	173.1	-176.4	1.1	109.4	S58 D323	S58-R60 PolarHBondContact OG-N 3.21Å; R60-D323 WeakPolarHBondContact CD-OD2 3.25Å; R60-D323 IonicContact NH1-OD1 3.28Å; R60-D323 PolarHBondContact NH1-OD1 3.03Å; R60-D323 IonicContact NH1-OD2 2.79Å; R60-D323 PolarHBondContact NH1-OD2 3.36Å
61	K	53.7	Low	63	Low	199 Å²	199	60.2 Å²	60.2	87%	0.865	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-56	124.7	169.3	-77.4	-174.6	177.8	-179.3	0	107.6
62	P	63.7	Low	65.9	Low	30 Å²	30	53.9 Å²	53.9	20%	0.195	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-65.6	143.8	-176.5	31.8	-38.5	0	0	0	109	Y64 I185 L321	P62-Y64 VanDerWaalsContact CB-O 3.26Å; P62-Y64 WeakPolarHBondContact CB-O 3.3Å; P62-Y64 WeakPolarHBondContact CG-O 3.46Å; P62-Y64 PolarHBondContact O-N 3Å; P62-I185 HydrophobicContact CB-CD1 4.18Å; P62-I185 HydrophobicContact CB-CG1 4.21Å; P62-I185 HydrophobicContact CG-CG1 4.25Å; P62-L321 HydrophobicContact CB-CD2 4.46Å
63	L	77.6	Confident	68.6	Low	113 Å²	113	50.4 Å²	50.4	59%	0.592	26%	0.26	S	S	*	.	S	Bend	trans	-61.2	-38.7	176.6	177.7	62.4	0	0	0	110.8
64	Y	89.7	Confident	71.6	Confident	20 Å²	20	46.5 Å²	46.5	8%	0.078	23%	0.233	C	C	.	.			trans	-107.8	142.7	175.5	-55.2	-70.4	0	0	0	110.2	P62 I185 E244 V246 L265 V320	P62-Y64 VanDerWaalsContact CB-O 3.26Å; P62-Y64 WeakPolarHBondContact CB-O 3.3Å; P62-Y64 WeakPolarHBondContact CG-O 3.46Å; P62-Y64 PolarHBondContact O-N 3Å; Y64-I185 WeakPolarHBondContact O-CG1 3.27Å; Y64-E244 CarbonylContact C-O 3.54Å; Y64-E244 VanDerWaalsContact CA-O 3.26Å; Y64-E244 WeakPolarHBondContact CA-O 3.36Å; Y64-V246 HydrophobicContact CD1-CG2 3.63Å; Y64-V246 HydrophobicContact CD2-CG2 3.85Å; Y64-V246 HydrophobicContact CE1-CG2 4.26Å; Y64-V246 HydrophobicContact CE2-CG2 4.44Å; Y64-V246 HydrophobicContact CG-CG2 3.4Å; Y64-V246 VanDerWaalsContact CG-CG2 3.4Å; Y64-L265 HydrophobicContact CD1-CB 4.46Å; Y64-L265 HydrophobicContact CD2-CD2 4.37Å; Y64-L265 HydrophobicContact CE1-CB 3.68Å; Y64-L265 HydrophobicContact CE2-CB 4.29Å; Y64-L265 HydrophobicContact CE2-CD2 3.69Å; Y64-V320 HydrophobicContact CD2-CG1 4.5Å
65	K	90.6	Very high	74.3	Confident	80 Å²	80	40.7 Å²	40.7	35%	0.348	21%	0.206	S	C	.	.			trans	-114.5	-10.1	-179	-62.1	-173.5	-166.4	146.9	0	113.3	I185 K186 V240 E244	K65-I185 WeakPolarHBondContact O-CA 2.8Å; K65-K186 PolarHBondContact O-N 2.74Å; K65-V240 HydrophobicContact CB-CB 4.43Å; K65-V240 HydrophobicContact CB-CG1 3.64Å; K65-E244 HydrophobicContact CB-CB 4.4Å; K65-E244 VanDerWaalsContact CD-OE2 3.29Å; K65-E244 WeakPolarHBondContact CD-OE2 3.49Å; K65-E244 VanDerWaalsContact CE-CD 3.46Å; K65-E244 WeakPolarHBondContact CE-OE1 3.26Å; K65-E244 VanDerWaalsContact CE-OE2 3.27Å; K65-E244 WeakPolarHBondContact CE-OE2 3.47Å; K65-E244 HydrophobicContact CG-CB 4.38Å; K65-E244 PolarHBondContact N-O 2.82Å; K65-E244 IonicContact NZ-OE1 3.16Å; K65-E244 PolarHBondContact NZ-OE1 3.12Å; K65-E244 IonicContact NZ-OE2 2.84Å; K65-E244 PolarHBondContact NZ-OE2 3.22Å
66	A	95.9	Very high	76.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.2	174.1	0	0	0	0	0	112.6	K186 L238 V240 E244 T245 V246	A66-K186 CarbonylContact C-O 3.57Å; A66-K186 WeakPolarHBondContact CA-O 3.38Å; A66-K186 HydrophobicContact CB-CB 4.43Å; A66-L238 HydrophobicContact CB-CD1 3.84Å; A66-V240 HydrophobicContact CB-CG1 4.29Å; A66-V240 HydrophobicContact CB-CG2 3.86Å; A66-E244 PolarHBondContact N-O 3.19Å; A66-T245 HydrophobicContact CB-CG2 4.12Å; A66-T245 WeakPolarHBondContact O-CA 3.09Å; A66-V246 PolarHBondContact O-N 3.14Å
67	V	97.9	Very high	78.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.5	168.8	-175.5	0	0	0	0	109.1	F69 L180 I185 K186 T187 A188 V246 V248 V320	V67-F69 HydrophobicContact CB-CE2 3.85Å; V67-F69 HydrophobicContact CB-CZ 4.08Å; V67-F69 HydrophobicContact CG1-CD1 4.26Å; V67-F69 HydrophobicContact CG1-CD2 3.99Å; V67-F69 HydrophobicContact CG1-CE1 3.81Å; V67-F69 HydrophobicContact CG1-CE2 3.49Å; V67-F69 VanDerWaalsContact CG1-CE2 3.49Å; V67-F69 HydrophobicContact CG1-CG 4.35Å; V67-F69 HydrophobicContact CG1-CZ 3.4Å; V67-L180 HydrophobicContact CB-CD1 4.3Å; V67-L180 HydrophobicContact CG2-CD1 4.04Å; V67-L180 HydrophobicContact CG2-CD2 4.23Å; V67-I185 HydrophobicContact CG2-CG2 3.74Å; V67-K186 PolarHBondContact N-O 3.29Å; V67-T187 CarbonylContact O-C 3.58Å; V67-T187 WeakPolarHBondContact O-CA 3.43Å; V67-A188 PolarHBondContact O-N 2.95Å; V67-V246 CarbonylContact C-O 3.58Å; V67-V246 WeakPolarHBondContact CA-O 3.33Å; V67-V246 HydrophobicContact CB-CB 4.49Å; V67-V246 HydrophobicContact CG1-CB 4.34Å; V67-V246 HydrophobicContact CG2-CB 4.11Å; V67-V246 HydrophobicContact CG2-CG2 4.31Å; V67-V248 HydrophobicContact CG1-CG2 3.66Å; V67-V320 HydrophobicContact CG2-CG1 3.79Å; V67-V320 HydrophobicContact CG2-CG2 4.31Å
68	I	98.4	Very high	81.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.3	171.3	-51.9	177.9	0	0	0	107.1	A188 C190 I234 T245 V246 M247 V248 L263	I68-A188 CarbonylContact C-O 3.51Å; I68-A188 WeakPolarHBondContact CA-O 3.47Å; I68-A188 HydrophobicContact CG1-CB 4.39Å; I68-C190 HydrophobicContact CG2-CB 3.54Å; I68-I234 HydrophobicContact CD1-CB 4.24Å; I68-I234 HydrophobicContact CD1-CD1 3.97Å; I68-I234 HydrophobicContact CD1-CG2 3.89Å; I68-I234 HydrophobicContact CG1-CD1 4.41Å; I68-I234 HydrophobicContact CG1-CG2 4.01Å; I68-I234 HydrophobicContact CG2-CD1 4.07Å; I68-T245 HydrophobicContact CD1-CG2 3.72Å; I68-T245 HydrophobicContact CG1-CG2 3.8Å; I68-V246 PolarHBondContact N-O 2.74Å; I68-M247 HydrophobicContact CB-SD 3.95Å; I68-M247 HydrophobicContact CG2-SD 3.81Å; I68-M247 CarbonylContact O-C 3.42Å; I68-M247 WeakPolarHBondContact O-CA 3.19Å; I68-V248 PolarHBondContact O-N 3.07Å; I68-L263 HydrophobicContact CD1-CD1 4.28Å
69	F	98.3	Very high	83.4	Confident	1 Å²	1	38.3 Å²	38.3	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.6	175.9	-64	-85.6	0	0	0	109.7	V67 T74 I75 M176 I177 L180 T187 A188 I189 C190 V248 V313 I316	V67-F69 HydrophobicContact CB-CE2 3.85Å; V67-F69 HydrophobicContact CB-CZ 4.08Å; V67-F69 HydrophobicContact CG1-CD1 4.26Å; V67-F69 HydrophobicContact CG1-CD2 3.99Å; V67-F69 HydrophobicContact CG1-CE1 3.81Å; V67-F69 HydrophobicContact CG1-CE2 3.49Å; V67-F69 VanDerWaalsContact CG1-CE2 3.49Å; V67-F69 HydrophobicContact CG1-CG 4.35Å; V67-F69 HydrophobicContact CG1-CZ 3.4Å; F69-T74 HydrophobicContact CD1-CG2 4.46Å; F69-I75 HydrophobicContact CB-CG2 4.46Å; F69-I75 HydrophobicContact CD1-CG2 4.2Å; F69-I75 HydrophobicContact CG-CG2 4.49Å; F69-M176 HydrophobicContact CD1-CE 4.45Å; F69-M176 HydrophobicContact CE1-CE 3.55Å; F69-M176 HydrophobicContact CE1-SD 4.3Å; F69-M176 HydrophobicContact CZ-CE 3.65Å; F69-M176 HydrophobicContact CZ-SD 4.5Å; F69-I177 HydrophobicContact CE2-CG1 4.45Å; F69-L180 HydrophobicContact CE2-CD1 4.07Å; F69-L180 HydrophobicContact CZ-CD1 3.63Å; F69-T187 HydrophobicContact CE2-CG2 4.15Å; F69-A188 PolarHBondContact N-O 2.83Å; F69-I189 HydrophobicContact CB-CD1 3.76Å; F69-I189 WeakPolarHBondContact O-CA 3.47Å; F69-C190 PolarHBondContact O-N 3.41Å; F69-V248 CarbonylContact C-O 3.58Å; F69-V248 HydrophobicContact CD1-CB 3.93Å; F69-V248 HydrophobicContact CD1-CG1 4.38Å; F69-V248 HydrophobicContact CD1-CG2 4.23Å; F69-V248 HydrophobicContact CE1-CB 4.29Å; F69-V248 HydrophobicContact CE1-CG2 4.15Å; F69-V313 HydrophobicContact CD1-CG2 4Å; F69-V313 HydrophobicContact CE1-CG2 3.75Å; F69-I316 HydrophobicContact CE1-CD1 3.49Å; F69-I316 VanDerWaalsContact CE1-CD1 3.49Å; F69-I316 HydrophobicContact CZ-CD1 3.8Å
70	D	97.3	Very high	85.7	Confident	10 Å²	10	35.2 Å²	35.2	5%	0.053	17%	0.167	C	C	.	.			trans	-69	159.9	150.8	-175.1	60.7	0	0	0	110.2	D72 T74 K225 M247 V248	D70-D72 PolarHBondContact OD2-N 2.55Å; D70-T74 VanDerWaalsContact O-CB 3.32Å; D70-T74 WeakPolarHBondContact O-CB 3.49Å; D70-T74 WeakPolarHBondContact O-CG2 3.41Å; D70-K225 IonicContact OD1-NZ 2.77Å; D70-K225 PolarHBondContact OD1-NZ 2.94Å; D70-M247 HydrophobicContact CB-CE 4.04Å; D70-V248 PolarHBondContact N-O 2.87Å
71	K	96	Very high	87.8	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-88.7	-61.8	-180	-173.1	173.6	63.9	70.4	0	112.5	I75 V76 M81 D193 T198 A201	K71-I75 HydrophobicContact CG-CD1 4.32Å; K71-I75 HydrophobicContact CG-CG1 4.2Å; K71-I75 VanDerWaalsContact O-CG1 3.26Å; K71-I75 WeakPolarHBondContact O-CG1 3.45Å; K71-I75 PolarHBondContact O-N 3.34Å; K71-V76 HydrophobicContact CG-CG2 4.24Å; K71-V76 PolarHBondContact O-N 3.07Å; K71-M81 VanDerWaalsContact NZ-CE 3.33Å; K71-D193 WeakPolarHBondContact CE-OD2 3.49Å; K71-D193 IonicContact NZ-OD2 2.73Å; K71-D193 PolarHBondContact NZ-OD2 2.91Å; K71-T198 HydrophobicContact CD-CG2 4.31Å; K71-A201 HydrophobicContact CD-CB 4.32Å
72	D	91.4	Very high	89.5	Confident	5 Å²	5	19.7 Å²	19.7	3%	0.027	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-92.1	133.4	-163.7	-60.3	-66.7	0	0	0	110.6	D70 T74 F78 M81	D70-D72 PolarHBondContact OD2-N 2.55Å; D72-T74 PolarHBondContact O-N 2.67Å; D72-T74 VanDerWaalsContact O-N 3.1Å; D72-F78 HydrophobicContact CB-CD2 3.47Å; D72-F78 VanDerWaalsContact CB-CD2 3.47Å; D72-F78 HydrophobicContact CB-CE2 3.7Å; D72-F78 HydrophobicContact CB-CG 4.32Å; D72-M81 WeakPolarHBondContact OD1-CE 3.49Å
73	G	88.5	Confident	90.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	-13.5	-169.2	0	0	0	0	0	113.8	V76 L170 S271 G272	G73-V76 WeakPolarHBondContact CA-O 3.38Å; G73-V76 PolarHBondContact N-O 3.21Å; G73-L170 VanDerWaalsContact C-CD1 3.42Å; G73-L170 VanDerWaalsContact O-CD1 3.25Å; G73-L170 WeakPolarHBondContact O-CD1 3.45Å; G73-S271 CarbonylContact O-C 3.57Å; G73-S271 VanDerWaalsContact O-C 3.32Å; G73-S271 PolarHBondContact O-OG 3.45Å; G73-G272 VanDerWaalsContact CA-CA 3.41Å; G73-G272 WeakPolarHBondContact O-CA 3.36Å; G73-G272 PolarHBondContact O-N 2.98Å; G73-G272 VanDerWaalsContact O-N 3.13Å
74	T	94.2	Very high	91.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-65.4	178.2	-60.3	0	0	0	0	112.9	F69 D70 D72 L170 V248 G249 D250 V269 V313	F69-T74 HydrophobicContact CD1-CG2 4.46Å; D70-T74 VanDerWaalsContact O-CB 3.32Å; D70-T74 WeakPolarHBondContact O-CB 3.49Å; D70-T74 WeakPolarHBondContact O-CG2 3.41Å; D72-T74 PolarHBondContact O-N 2.67Å; D72-T74 VanDerWaalsContact O-N 3.1Å; T74-L170 WeakPolarHBondContact O-CD1 3.21Å; T74-V248 HydrophobicContact CG2-CB 4.5Å; T74-V248 HydrophobicContact CG2-CG1 3.97Å; T74-G249 WeakPolarHBondContact OG1-CA 3.16Å; T74-D250 PolarHBondContact OG1-N 2.89Å; T74-V269 HydrophobicContact CG2-CG2 4.27Å; T74-V313 HydrophobicContact CG2-CG2 4.24Å; T74-V313 WeakPolarHBondContact O-CB 3.25Å; T74-V313 VanDerWaalsContact O-CG1 3.25Å; T74-V313 WeakPolarHBondContact O-CG1 3.36Å
75	I	91.7	Very high	91.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-27.1	176.7	60	162.2	0	0	0	113	F69 K71 P169 L170 I173 I189 L202 L205 V313	F69-I75 HydrophobicContact CB-CG2 4.46Å; F69-I75 HydrophobicContact CD1-CG2 4.2Å; F69-I75 HydrophobicContact CG-CG2 4.49Å; K71-I75 HydrophobicContact CG-CD1 4.32Å; K71-I75 HydrophobicContact CG-CG1 4.2Å; K71-I75 VanDerWaalsContact O-CG1 3.26Å; K71-I75 WeakPolarHBondContact O-CG1 3.45Å; K71-I75 PolarHBondContact O-N 3.34Å; I75-P169 WeakPolarHBondContact O-CA 3.36Å; I75-L170 PolarHBondContact O-N 2.83Å; I75-I173 HydrophobicContact CB-CD1 3.93Å; I75-I173 HydrophobicContact CB-CG1 4.14Å; I75-I173 HydrophobicContact CB-CG2 4.14Å; I75-I173 HydrophobicContact CG2-CD1 4.05Å; I75-I173 HydrophobicContact CG2-CG2 4.07Å; I75-I189 HydrophobicContact CD1-CD1 3.68Å; I75-L202 HydrophobicContact CD1-CD2 3.91Å; I75-L205 HydrophobicContact CD1-CD1 4.3Å; I75-V313 HydrophobicContact CG2-CG2 4.33Å
76	V	89.1	Confident	91.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-112.7	139.7	175.5	176.9	0	0	0	0	109.5	K71 G73 F78 M81 I167 V168 L170 L205	K71-V76 HydrophobicContact CG-CG2 4.24Å; K71-V76 PolarHBondContact O-N 3.07Å; G73-V76 WeakPolarHBondContact CA-O 3.38Å; G73-V76 PolarHBondContact N-O 3.21Å; V76-F78 PolarHBondContact O-N 3.23Å; V76-F78 VanDerWaalsContact O-N 3.13Å; V76-M81 HydrophobicContact CG1-CB 4.32Å; V76-M81 HydrophobicContact CG1-SD 4.2Å; V76-I167 HydrophobicContact CG2-CG2 4.28Å; V76-V168 WeakPolarHBondContact CA-O 3.19Å; V76-L170 WeakPolarHBondContact O-CD1 3.47Å; V76-L205 HydrophobicContact CG2-CD1 3.73Å
77	C	85.6	Confident	91.5	Very high	33 Å²	33	14.9 Å²	14.9	22%	0.223	8%	0.076	C	C	.	.			trans	-63.2	115.4	174.9	177.6	0	0	0	0	110.2	N79 S80 M81 V168 L170	C77-N79 VanDerWaalsContact C-N 3.32Å; C77-N79 PolarHBondContact O-N 3.32Å; C77-S80 WeakPolarHBondContact CB-OG 3.37Å; C77-S80 PolarHBondContact O-N 3.37Å; C77-S80 PolarHBondContact O-OG 2.97Å; C77-M81 PolarHBondContact O-N 3.14Å; C77-V168 HydrophobicContact CB-CB 4.15Å; C77-V168 HydrophobicContact CB-CG1 4.47Å; C77-V168 PolarHBondContact N-O 3.26Å; C77-L170 HydrophobicContact CB-CD2 3.86Å; C77-L170 HydrophobicContact CB-CG 4.2Å
78	F	87.1	Confident	91.3	Very high	10 Å²	10	17.3 Å²	17.3	4%	0.044	9%	0.091	C	C	.	.	H	α-helix	trans	-56.5	-48.9	-175.5	-161.4	-68.9	0	0	0	111.2	D72 V76 S80 M81 W82 I118 L123 A124 I273	D72-F78 HydrophobicContact CB-CD2 3.47Å; D72-F78 VanDerWaalsContact CB-CD2 3.47Å; D72-F78 HydrophobicContact CB-CE2 3.7Å; D72-F78 HydrophobicContact CB-CG 4.32Å; V76-F78 PolarHBondContact O-N 3.23Å; V76-F78 VanDerWaalsContact O-N 3.13Å; F78-S80 PolarHBondContact O-N 3.11Å; F78-M81 PolarHBondContact O-N 2.76Å; F78-W82 HydrophobicContact CD1-CB 4.03Å; F78-W82 AromaticContact CD1-CD1 3.54Å; F78-W82 HydrophobicContact CD1-CG 4.14Å; F78-W82 HydrophobicContact CE1-CB 3.67Å; F78-W82 AromaticContact CE1-CD1 3.2Å; F78-W82 AromaticContact CE1-CG 3.64Å; F78-W82 HydrophobicContact CE1-CG 3.64Å; F78-W82 AromaticContact CE2-CD1 3.86Å; F78-W82 AromaticContact CG-CD1 3.97Å; F78-W82 HydrophobicContact CZ-CB 4.5Å; F78-W82 AromaticContact CZ-CD1 3.34Å; F78-W82 HydrophobicContact CZ-CG 4.03Å; F78-W82 AromaticContact CZ-NE1 3.79Å; F78-W82 WeakPolarHBondContact O-CB 3.44Å; F78-W82 PolarHBondContact O-N 2.61Å; F78-I118 HydrophobicContact CD1-CB 4.27Å; F78-I118 HydrophobicContact CD1-CD1 3.79Å; F78-I118 HydrophobicContact CD1-CG2 4.35Å; F78-I118 HydrophobicContact CE1-CB 4.24Å; F78-I118 HydrophobicContact CE1-CD1 3.68Å; F78-I118 HydrophobicContact CE1-CG2 3.84Å; F78-L123 HydrophobicContact CE1-CG 4.47Å; F78-A124 HydrophobicContact CE2-CB 4.41Å; F78-A124 HydrophobicContact CZ-CB 4.18Å; F78-I273 HydrophobicContact CB-CD1 4.38Å; F78-I273 HydrophobicContact CB-CG1 4.31Å; F78-I273 HydrophobicContact CD1-CD1 3.3Å; F78-I273 HydrophobicContact CD1-CG1 4.1Å; F78-I273 HydrophobicContact CD2-CD1 3.68Å; F78-I273 HydrophobicContact CD2-CG1 4.15Å; F78-I273 HydrophobicContact CE1-CD1 3.4Å; F78-I273 HydrophobicContact CE2-CD1 3.77Å; F78-I273 HydrophobicContact CG-CD1 3.49Å; F78-I273 VanDerWaalsContact CG-CD1 3.49Å; F78-I273 HydrophobicContact CG-CG1 3.9Å; F78-I273 HydrophobicContact CZ-CD1 3.67Å
79	N	85.3	Confident	91.1	Very high	58 Å²	58	17.3 Å²	17.3	31%	0.31	9%	0.091	S	C	.	.	H	α-helix	trans	-69.9	-33.6	-173.4	-157.5	62.7	0	0	0	112.6	C77 M81 M83 H116 I118	C77-N79 VanDerWaalsContact C-N 3.32Å; C77-N79 PolarHBondContact O-N 3.32Å; N79-M81 VanDerWaalsContact C-N 3.3Å; N79-M81 PolarHBondContact O-N 3.02Å; N79-M83 WeakPolarHBondContact O-CB 3.36Å; N79-M83 PolarHBondContact O-N 3.1Å; N79-H116 PolarHBondContact ND2-O 2.89Å; N79-H116 PolarHBondContact OD1-O 3Å; N79-I118 PolarHBondContact OD1-N 3.48Å
80	S	86.4	Confident	91	Very high	27 Å²	27	17.2 Å²	17.2	19%	0.189	9%	0.091	C	C	.	.	H	α-helix	trans	-65.9	-36.2	179.4	72.1	0	0	0	0	111.6	C77 F78 P84 H166	C77-S80 WeakPolarHBondContact CB-OG 3.37Å; C77-S80 PolarHBondContact O-N 3.37Å; C77-S80 PolarHBondContact O-OG 2.97Å; F78-S80 PolarHBondContact O-N 3.11Å; S80-P84 VanDerWaalsContact O-CD 3.32Å; S80-P84 WeakPolarHBondContact O-CD 3.27Å; S80-P84 WeakPolarHBondContact O-CG 3.38Å; S80-H166 CarbonylContact C-O 3.5Å; S80-H166 WeakPolarHBondContact CB-O 3.41Å; S80-H166 WeakPolarHBondContact O-CB 3.49Å; S80-H166 PolarHBondContact OG-O 2.87Å
81	M	85.4	Confident	90.9	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-83.9	-48.4	-177.3	-157.3	-178.8	71.5	0	0	111.9	K71 D72 V76 C77 F78 N79 L162 H166	K71-M81 VanDerWaalsContact NZ-CE 3.33Å; D72-M81 WeakPolarHBondContact OD1-CE 3.49Å; V76-M81 HydrophobicContact CG1-CB 4.32Å; V76-M81 HydrophobicContact CG1-SD 4.2Å; C77-M81 PolarHBondContact O-N 3.14Å; F78-M81 PolarHBondContact O-N 2.76Å; N79-M81 VanDerWaalsContact C-N 3.3Å; N79-M81 PolarHBondContact O-N 3.02Å; M81-L162 HydrophobicContact CG-CD2 4.05Å; M81-L162 HydrophobicContact SD-CD1 3.97Å; M81-L162 HydrophobicContact SD-CD2 4.31Å; M81-H166 PolarHBondContact N-O 3.21Å
82	W	90.4	Very high	90.9	Very high	23 Å²	23	26.2 Å²	26.2	9%	0.087	13%	0.132	C	C	.	.	H	α-helix	trans	-92.2	-24.3	-165.6	-72.4	120.4	0	0	0	115.2	F78 W85 A86 I118 L123 D193	F78-W82 HydrophobicContact CD1-CB 4.03Å; F78-W82 AromaticContact CD1-CD1 3.54Å; F78-W82 HydrophobicContact CD1-CG 4.14Å; F78-W82 HydrophobicContact CE1-CB 3.67Å; F78-W82 AromaticContact CE1-CD1 3.2Å; F78-W82 AromaticContact CE1-CG 3.64Å; F78-W82 HydrophobicContact CE1-CG 3.64Å; F78-W82 AromaticContact CE2-CD1 3.86Å; F78-W82 AromaticContact CG-CD1 3.97Å; F78-W82 HydrophobicContact CZ-CB 4.5Å; F78-W82 AromaticContact CZ-CD1 3.34Å; F78-W82 HydrophobicContact CZ-CG 4.03Å; F78-W82 AromaticContact CZ-NE1 3.79Å; F78-W82 WeakPolarHBondContact O-CB 3.44Å; F78-W82 PolarHBondContact O-N 2.61Å; W82-W85 HydrophobicContact CE3-CB 3.99Å; W82-W85 AromaticContact CE3-CD2 3.69Å; W82-W85 HydrophobicContact CE3-CD2 3.69Å; W82-W85 AromaticContact CE3-CE3 3.8Å; W82-W85 HydrophobicContact CE3-CE3 3.8Å; W82-W85 AromaticContact CE3-CG 3.76Å; W82-W85 HydrophobicContact CE3-CG 3.76Å; W82-W85 HydrophobicContact CZ3-CB 4.48Å; W82-W85 AromaticContact CZ3-CD1 3.98Å; W82-W85 AromaticContact CZ3-CD2 3.67Å; W82-W85 HydrophobicContact CZ3-CD2 3.67Å; W82-W85 AromaticContact CZ3-CE2 3.84Å; W82-W85 HydrophobicContact CZ3-CE3 4.08Å; W82-W85 AromaticContact CZ3-CG 3.83Å; W82-W85 HydrophobicContact CZ3-CG 3.83Å; W82-W85 HydrophobicContact CZ3-CZ2 4.41Å; W82-W85 AromaticContact CZ3-NE1 4Å; W82-W85 PolarHBondContact O-N 3.44Å; W82-A86 VanDerWaalsContact O-CB 3.3Å; W82-A86 WeakPolarHBondContact O-CB 3.38Å; W82-A86 PolarHBondContact O-N 2.79Å; W82-I118 HydrophobicContact CB-CD1 3.37Å; W82-L123 HydrophobicContact CB-CD2 4.18Å; W82-L123 HydrophobicContact CD2-CD1 4.19Å; W82-L123 HydrophobicContact CE3-CD1 3.99Å; W82-L123 HydrophobicContact CZ3-CD1 4.5Å; W82-D193 VanDerWaalsContact CZ2-OD1 3.28Å; W82-D193 WeakPolarHBondContact CZ2-OD1 3.24Å; W82-D193 VanDerWaalsContact CZ2-OD2 3.3Å; W82-D193 WeakPolarHBondContact CZ2-OD2 3.27Å
83	M	90.8	Very high	91.2	Very high	6 Å²	6	26 Å²	26	3%	0.03	13%	0.131	C	C	.	.	H	α-helix	trans	-72.1	-42.8	-179.1	-171.5	71.8	-102.3	0	0	112.1	N79 W85 A86 R87 L106 C111 I118	N79-M83 WeakPolarHBondContact O-CB 3.36Å; N79-M83 PolarHBondContact O-N 3.1Å; M83-W85 VanDerWaalsContact C-N 3.33Å; M83-A86 HydrophobicContact CE-CB 4.31Å; M83-A86 PolarHBondContact O-N 3.5Å; M83-R87 HydrophobicContact CE-CG 3.78Å; M83-R87 WeakPolarHBondContact O-CG 3.21Å; M83-R87 PolarHBondContact O-N 2.92Å; M83-R87 PolarHBondContact SD-NH2 3Å; M83-L106 HydrophobicContact CE-CD2 3.9Å; M83-C111 HydrophobicContact CE-CB 3.82Å; M83-C111 HydrophobicContact SD-CB 4.19Å; M83-I118 HydrophobicContact CB-CD1 4.17Å; M83-I118 HydrophobicContact CB-CG1 4.45Å; M83-I118 HydrophobicContact SD-CG1 4.19Å
84	P	90	Very high	91.6	Very high	37 Å²	37	26.4 Å²	26.4	24%	0.24	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-39.6	170.4	-22.9	35.4	0	0	0	112.5	S80 T88	S80-P84 VanDerWaalsContact O-CD 3.32Å; S80-P84 WeakPolarHBondContact O-CD 3.27Å; S80-P84 WeakPolarHBondContact O-CG 3.38Å; P84-T88 WeakPolarHBondContact O-CB 3.35Å; P84-T88 PolarHBondContact O-N 3.3Å; P84-T88 VanDerWaalsContact O-N 3.08Å; P84-T88 PolarHBondContact O-OG1 2.83Å
85	W	92.4	Very high	91.7	Very high	22 Å²	22	31 Å²	31	8%	0.083	17%	0.166	C	C	.	.	H	α-helix	trans	-59	-52.1	175.7	179.8	96.7	0	0	0	111.2	W82 M83 R87 T88 I89 L109 L123 I131 I157 L160	W82-W85 HydrophobicContact CE3-CB 3.99Å; W82-W85 AromaticContact CE3-CD2 3.69Å; W82-W85 HydrophobicContact CE3-CD2 3.69Å; W82-W85 AromaticContact CE3-CE3 3.8Å; W82-W85 HydrophobicContact CE3-CE3 3.8Å; W82-W85 AromaticContact CE3-CG 3.76Å; W82-W85 HydrophobicContact CE3-CG 3.76Å; W82-W85 HydrophobicContact CZ3-CB 4.48Å; W82-W85 AromaticContact CZ3-CD1 3.98Å; W82-W85 AromaticContact CZ3-CD2 3.67Å; W82-W85 HydrophobicContact CZ3-CD2 3.67Å; W82-W85 AromaticContact CZ3-CE2 3.84Å; W82-W85 HydrophobicContact CZ3-CE3 4.08Å; W82-W85 AromaticContact CZ3-CG 3.83Å; W82-W85 HydrophobicContact CZ3-CG 3.83Å; W82-W85 HydrophobicContact CZ3-CZ2 4.41Å; W82-W85 AromaticContact CZ3-NE1 4Å; W82-W85 PolarHBondContact O-N 3.44Å; M83-W85 VanDerWaalsContact C-N 3.33Å; W85-R87 VanDerWaalsContact C-N 3.34Å; W85-R87 PolarHBondContact O-N 2.92Å; W85-T88 WeakPolarHBondContact O-CB 3.44Å; W85-T88 PolarHBondContact O-N 2.99Å; W85-I89 HydrophobicContact CD2-CG1 3.82Å; W85-I89 HydrophobicContact CE3-CG1 4.07Å; W85-I89 HydrophobicContact CG-CG1 4.49Å; W85-I89 HydrophobicContact CH2-CG1 3.87Å; W85-I89 HydrophobicContact CZ2-CD1 4.06Å; W85-I89 HydrophobicContact CZ2-CG1 3.63Å; W85-I89 HydrophobicContact CZ3-CG1 4.08Å; W85-I89 WeakPolarHBondContact O-CG1 3.48Å; W85-I89 PolarHBondContact O-N 2.96Å; W85-L109 HydrophobicContact CZ3-CD1 4.15Å; W85-L123 HydrophobicContact CE3-CD1 4.12Å; W85-L123 HydrophobicContact CH2-CD1 4.48Å; W85-L123 HydrophobicContact CZ3-CD1 3.74Å; W85-I131 HydrophobicContact CH2-CG2 4.36Å; W85-I157 HydrophobicContact CH2-CG1 4.28Å; W85-I157 HydrophobicContact CZ2-CG1 4.09Å; W85-I157 HydrophobicContact CZ2-CG2 4.31Å; W85-L160 HydrophobicContact CG-CD2 4.01Å
86	A	93	Very high	91.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-38.8	-177.1	0	0	0	0	0	112.5	W82 M83 I89 A90 L106 L109 L123	W82-A86 VanDerWaalsContact O-CB 3.3Å; W82-A86 WeakPolarHBondContact O-CB 3.38Å; W82-A86 PolarHBondContact O-N 2.79Å; M83-A86 HydrophobicContact CE-CB 4.31Å; M83-A86 PolarHBondContact O-N 3.5Å; A86-I89 PolarHBondContact O-N 3.12Å; A86-A90 VanDerWaalsContact O-CB 3.28Å; A86-A90 WeakPolarHBondContact O-CB 3.42Å; A86-A90 PolarHBondContact O-N 3.45Å; A86-L106 HydrophobicContact CB-CD2 3.89Å; A86-L109 HydrophobicContact CB-CD1 3.98Å; A86-L123 HydrophobicContact CB-CD2 4.24Å
87	R	92.5	Very high	92.1	Very high	78 Å²	78	34.8 Å²	34.8	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-64.7	-40.8	174	-68.5	-178.8	-146.3	-86.2	-12.7	112.2	M83 W85 A90 K91 L106 H116	M83-R87 HydrophobicContact CE-CG 3.78Å; M83-R87 WeakPolarHBondContact O-CG 3.21Å; M83-R87 PolarHBondContact O-N 2.92Å; M83-R87 PolarHBondContact SD-NH2 3Å; W85-R87 VanDerWaalsContact C-N 3.34Å; W85-R87 PolarHBondContact O-N 2.92Å; R87-A90 PolarHBondContact O-N 3.39Å; R87-K91 VanDerWaalsContact O-CB 3.28Å; R87-K91 WeakPolarHBondContact O-CB 3.13Å; R87-K91 PolarHBondContact O-N 2.82Å; R87-L106 HydrophobicContact CG-CD2 4.47Å; R87-H116 PolarHBondContact NH1-CE1 3.22Å; R87-H116 VanDerWaalsContact NH1-CE1 3.33Å; R87-H116 PolarHBondContact NH1-ND1 2.93Å; R87-H116 PolarHBondContact NH2-ND1 3.27Å
88	T	94	Very high	92.5	Very high	50 Å²	50	37.8 Å²	37.8	31%	0.307	21%	0.213	S	C	.	.	H	α-helix	trans	-64.9	-44.9	179.1	-56.7	0	0	0	0	110.3	P84 W85 K91 N92 L160	P84-T88 WeakPolarHBondContact O-CB 3.35Å; P84-T88 PolarHBondContact O-N 3.3Å; P84-T88 VanDerWaalsContact O-N 3.08Å; P84-T88 PolarHBondContact O-OG1 2.83Å; W85-T88 WeakPolarHBondContact O-CB 3.44Å; W85-T88 PolarHBondContact O-N 2.99Å; T88-K91 PolarHBondContact O-N 3Å; T88-N92 VanDerWaalsContact O-CB 3.27Å; T88-N92 WeakPolarHBondContact O-CB 3.42Å; T88-N92 PolarHBondContact O-N 2.96Å; T88-N92 PolarHBondContact O-ND2 3.23Å; T88-N92 PolarHBondContact O-OD1 3.13Å; T88-L160 HydrophobicContact CG2-CD1 3.95Å; T88-L160 HydrophobicContact CG2-CD2 3.9Å
89	I	94.6	Very high	92.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-48.6	175.1	-66.9	-60.6	0	0	0	111.4	W85 A86 K91 N92 I93 L135 H156 I157 L160	W85-I89 HydrophobicContact CD2-CG1 3.82Å; W85-I89 HydrophobicContact CE3-CG1 4.07Å; W85-I89 HydrophobicContact CG-CG1 4.49Å; W85-I89 HydrophobicContact CH2-CG1 3.87Å; W85-I89 HydrophobicContact CZ2-CD1 4.06Å; W85-I89 HydrophobicContact CZ2-CG1 3.63Å; W85-I89 HydrophobicContact CZ3-CG1 4.08Å; W85-I89 WeakPolarHBondContact O-CG1 3.48Å; W85-I89 PolarHBondContact O-N 2.96Å; A86-I89 PolarHBondContact O-N 3.12Å; I89-K91 VanDerWaalsContact C-N 3.34Å; I89-K91 PolarHBondContact O-N 3.3Å; I89-N92 PolarHBondContact O-N 3.5Å; I89-I93 HydrophobicContact CG2-CD1 3.53Å; I89-I93 HydrophobicContact CG2-CG1 4.31Å; I89-I93 WeakPolarHBondContact O-CB 3.35Å; I89-I93 WeakPolarHBondContact O-CG1 3.15Å; I89-I93 PolarHBondContact O-N 2.97Å; I89-L135 HydrophobicContact CG2-CD1 4.29Å; I89-H156 HydrophobicContact CD1-CB 4.23Å; I89-H156 WeakPolarHBondContact CD1-O 3.3Å; I89-I157 HydrophobicContact CD1-CG1 4.17Å; I89-L160 HydrophobicContact CD1-CB 4.48Å; I89-L160 HydrophobicContact CD1-CD2 3.96Å; I89-L160 HydrophobicContact CG1-CD2 4.15Å
90	A	95.6	Very high	93.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.3	-46.9	178.1	0	0	0	0	0	111.9	A86 R87 S94 N102 I105 L106	A86-A90 VanDerWaalsContact O-CB 3.28Å; A86-A90 WeakPolarHBondContact O-CB 3.42Å; A86-A90 PolarHBondContact O-N 3.45Å; R87-A90 PolarHBondContact O-N 3.39Å; A90-S94 VanDerWaalsContact O-CB 3.26Å; A90-S94 WeakPolarHBondContact O-CB 3.41Å; A90-S94 PolarHBondContact O-N 3.5Å; A90-S94 PolarHBondContact O-OG 3.44Å; A90-N102 PolarHBondContact O-OD1 3.33Å; A90-I105 HydrophobicContact CB-CB 4.1Å; A90-I105 HydrophobicContact CB-CG2 3.84Å; A90-L106 HydrophobicContact CB-CD2 4.19Å; A90-L106 HydrophobicContact CB-CG 4.05Å
91	K	95.7	Very high	93.6	Very high	143 Å²	143	42.7 Å²	42.7	62%	0.622	24%	0.235	S	C	*	.	H	α-helix	trans	-63.3	-47.4	178.4	-178.2	-178.8	177.1	-177.6	0	111.8	R87 T88 I89 S95 N102	R87-K91 VanDerWaalsContact O-CB 3.28Å; R87-K91 WeakPolarHBondContact O-CB 3.13Å; R87-K91 PolarHBondContact O-N 2.82Å; T88-K91 PolarHBondContact O-N 3Å; I89-K91 VanDerWaalsContact C-N 3.34Å; I89-K91 PolarHBondContact O-N 3.3Å; K91-S95 WeakPolarHBondContact O-CB 3.47Å; K91-S95 PolarHBondContact O-N 3.4Å; K91-N102 WeakPolarHBondContact CA-OD1 3.35Å; K91-N102 PolarHBondContact N-OD1 2.81Å; K91-N102 VanDerWaalsContact N-OD1 3.12Å
92	N	96.5	Very high	94.1	Very high	56 Å²	56	45 Å²	45	30%	0.299	25%	0.247	S	C	.	.	H	α-helix	trans	-67.2	-43.9	-176.3	-71.3	-6.3	0	0	0	111.7	T88 I89 S95 D96 H156	T88-N92 VanDerWaalsContact O-CB 3.27Å; T88-N92 WeakPolarHBondContact O-CB 3.42Å; T88-N92 PolarHBondContact O-N 2.96Å; T88-N92 PolarHBondContact O-ND2 3.23Å; T88-N92 PolarHBondContact O-OD1 3.13Å; I89-N92 PolarHBondContact O-N 3.5Å; N92-S95 PolarHBondContact O-N 3.38Å; N92-D96 WeakPolarHBondContact O-CB 3.35Å; N92-D96 PolarHBondContact O-N 3.29Å; N92-H156 HydrophobicContact CB-CB 4.5Å
93	I	97	Very high	94.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-50.1	176.4	-69.2	172.5	0	0	0	110	I89 S95 D96 I97 I105 L135 L139 T152 V153 H156	I89-I93 HydrophobicContact CG2-CD1 3.53Å; I89-I93 HydrophobicContact CG2-CG1 4.31Å; I89-I93 WeakPolarHBondContact O-CB 3.35Å; I89-I93 WeakPolarHBondContact O-CG1 3.15Å; I89-I93 PolarHBondContact O-N 2.97Å; I93-S95 PolarHBondContact O-N 2.98Å; I93-D96 PolarHBondContact O-N 3.04Å; I93-I97 HydrophobicContact CG2-CD1 4.44Å; I93-I97 WeakPolarHBondContact O-CG1 3.43Å; I93-I97 PolarHBondContact O-N 2.96Å; I93-I105 HydrophobicContact CB-CD1 3.83Å; I93-I105 HydrophobicContact CD1-CD1 4.42Å; I93-I105 HydrophobicContact CG2-CD1 3.62Å; I93-L135 HydrophobicContact CD1-CD1 4.19Å; I93-L139 HydrophobicContact CG2-CD1 3.92Å; I93-L139 HydrophobicContact CG2-CD2 4.18Å; I93-T152 HydrophobicContact CG1-CG2 4.45Å; I93-T152 HydrophobicContact CG2-CG2 4.28Å; I93-V153 HydrophobicContact CD1-CG2 4.19Å; I93-H156 HydrophobicContact CG1-CB 4.2Å
94	S	96.8	Very high	94.5	Very high	8 Å²	8	52.3 Å²	52.3	6%	0.056	28%	0.281	C	S	.	.	H	α-helix	trans	-57	-39.5	-180	-59.4	0	0	0	0	112	A90 A98 Q99 M101 N102	A90-S94 VanDerWaalsContact O-CB 3.26Å; A90-S94 WeakPolarHBondContact O-CB 3.41Å; A90-S94 PolarHBondContact O-N 3.5Å; A90-S94 PolarHBondContact O-OG 3.44Å; S94-A98 PolarHBondContact O-N 2.82Å; S94-Q99 CarbonylContact C-O 3.55Å; S94-Q99 VanDerWaalsContact CA-O 3.24Å; S94-Q99 WeakPolarHBondContact CA-O 3.19Å; S94-Q99 WeakPolarHBondContact CB-O 3.46Å; S94-Q99 PolarHBondContact O-N 2.86Å; S94-Q99 VanDerWaalsContact O-N 3.14Å; S94-Q99 VanDerWaalsContact O-O 3.1Å; S94-M101 PolarHBondContact OG-N 3.36Å; S94-M101 VanDerWaalsContact OG-N 3.14Å; S94-N102 PolarHBondContact OG-N 3Å; S94-N102 PolarHBondContact OG-OD1 3.14Å
95	S	95.5	Very high	94.8	Very high	97 Å²	97	50.6 Å²	50.6	68%	0.678	27%	0.27	S	S	*	.	H	α-helix	trans	-67.7	-39.2	175.8	-172.4	0	0	0	0	113.1	K91 N92 I93 A98	K91-S95 WeakPolarHBondContact O-CB 3.47Å; K91-S95 PolarHBondContact O-N 3.4Å; N92-S95 PolarHBondContact O-N 3.38Å; I93-S95 PolarHBondContact O-N 2.98Å; S95-A98 PolarHBondContact O-N 3.25Å
96	D	95.5	Very high	94.9	Very high	56 Å²	56	50.2 Å²	50.2	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-73.8	-32.1	-175.6	-155.8	24.4	0	0	0	111.9	N92 I93 T152 K155 H156	N92-D96 WeakPolarHBondContact O-CB 3.35Å; N92-D96 PolarHBondContact O-N 3.29Å; I93-D96 PolarHBondContact O-N 3.04Å; D96-T152 HydrophobicContact CB-CG2 3.94Å; D96-K155 IonicContact OD1-NZ 3.31Å; D96-K155 PolarHBondContact OD1-NZ 3.39Å; D96-K155 IonicContact OD2-NZ 2.94Å; D96-K155 PolarHBondContact OD2-NZ 3.47Å; D96-H156 WeakPolarHBondContact CB-NE2 3.46Å; D96-H156 IonicContact OD2-CD2 2.74Å; D96-H156 IonicContact OD2-CE1 2.65Å; D96-H156 IonicContact OD2-NE2 2.87Å; D96-H156 PolarHBondContact OD2-NE2 3.2Å
97	I	94.9	Very high	94.9	Very high	23 Å²	23	55.1 Å²	55.1	12%	0.118	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.8	175.1	69.6	179.5	0	0	0	113.3	I93 Q99 M101 L139 I144 T152	I93-I97 HydrophobicContact CG2-CD1 4.44Å; I93-I97 WeakPolarHBondContact O-CG1 3.43Å; I93-I97 PolarHBondContact O-N 2.96Å; I97-Q99 HydrophobicContact CD1-CB 4.05Å; I97-Q99 HydrophobicContact CG1-CB 3.92Å; I97-Q99 PolarHBondContact O-N 2.99Å; I97-M101 HydrophobicContact CD1-CB 4.38Å; I97-M101 HydrophobicContact CD1-CG 3.8Å; I97-L139 HydrophobicContact CD1-CD2 3.73Å; I97-I144 HydrophobicContact CB-CD1 4.19Å; I97-I144 HydrophobicContact CD1-CD1 4.48Å; I97-I144 HydrophobicContact CD1-CG1 4.42Å; I97-T152 HydrophobicContact CG2-CG2 4.03Å
98	A	93.3	Very high	95.1	Very high	96 Å²	96	53.5 Å²	53.5	79%	0.793	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	34.5	-175.6	0	0	0	0	0	114.3	S94 S95	S94-A98 PolarHBondContact O-N 2.82Å; S95-A98 PolarHBondContact O-N 3.25Å
99	Q	92.5	Very high	95.1	Very high	74 Å²	74	51.1 Å²	51.1	35%	0.346	28%	0.28	S	S	.	.	S	Bend	trans	-139.1	126.5	179.2	-174.5	178.8	1.6	0	0	108.6	S94 I97 M101	S94-Q99 CarbonylContact C-O 3.55Å; S94-Q99 VanDerWaalsContact CA-O 3.24Å; S94-Q99 WeakPolarHBondContact CA-O 3.19Å; S94-Q99 WeakPolarHBondContact CB-O 3.46Å; S94-Q99 PolarHBondContact O-N 2.86Å; S94-Q99 VanDerWaalsContact O-N 3.14Å; S94-Q99 VanDerWaalsContact O-O 3.1Å; I97-Q99 HydrophobicContact CD1-CB 4.05Å; I97-Q99 HydrophobicContact CG1-CB 3.92Å; I97-Q99 PolarHBondContact O-N 2.99Å; Q99-M101 HydrophobicContact CB-CG 4.44Å; Q99-M101 HydrophobicContact CG-CG 4.07Å; Q99-M101 HydrophobicContact CG-SD 4.36Å; Q99-M101 PolarHBondContact O-N 2.9Å
100	D	95.2	Very high	95	Very high	121 Å²	121	51.8 Å²	51.8	65%	0.647	29%	0.286	S	S	*	.			trans	-69.7	106.2	176.6	-171.3	5.7	0	0	0	109.8	N102	D100-N102 WeakPolarHBondContact OD1-CB 3.37Å; D100-N102 PolarHBondContact OD1-N 3.1Å; D100-N102 PolarHBondContact OD1-ND2 3.35Å
101	M	94.9	Very high	94.8	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.015	29%	0.287	C	S	.	.			trans	-122.6	18.8	179.9	-71.9	-64.1	-65.2	0	0	110.7	S94 I97 Q99 F103 E104 I105 L138 H142	S94-M101 PolarHBondContact OG-N 3.36Å; S94-M101 VanDerWaalsContact OG-N 3.14Å; I97-M101 HydrophobicContact CD1-CB 4.38Å; I97-M101 HydrophobicContact CD1-CG 3.8Å; Q99-M101 HydrophobicContact CB-CG 4.44Å; Q99-M101 HydrophobicContact CG-CG 4.07Å; Q99-M101 HydrophobicContact CG-SD 4.36Å; Q99-M101 PolarHBondContact O-N 2.9Å; M101-F103 VanDerWaalsContact C-N 3.32Å; M101-F103 PolarHBondContact O-N 3.11Å; M101-E104 VanDerWaalsContact C-OE2 3.31Å; M101-E104 WeakPolarHBondContact CA-OE2 3.45Å; M101-E104 HydrophobicContact CE-CB 3.62Å; M101-E104 HydrophobicContact CE-CG 3.78Å; M101-E104 PolarHBondContact O-N 3.16Å; M101-E104 HydrophobicContact SD-CG 4.38Å; M101-I105 HydrophobicContact CB-CD1 3.92Å; M101-I105 HydrophobicContact CB-CG1 4.25Å; M101-I105 WeakPolarHBondContact O-CB 3.45Å; M101-I105 WeakPolarHBondContact O-CD1 3.26Å; M101-I105 VanDerWaalsContact O-CG1 3.23Å; M101-I105 WeakPolarHBondContact O-CG1 3.48Å; M101-I105 PolarHBondContact O-N 2.95Å; M101-L138 HydrophobicContact CE-CD2 4.44Å; M101-L138 HydrophobicContact CE-CG 4.25Å; M101-H142 HydrophobicContact CE-CB 3.91Å; M101-H142 WeakPolarHBondContact CE-ND1 3.23Å; M101-H142 HydrophobicContact SD-CB 4.26Å
102	N	94.7	Very high	94.3	Very high	52 Å²	52	46.6 Å²	46.6	28%	0.278	27%	0.268	S	S	.	.	H	α-helix	trans	-60.4	-44	-171.5	-77.4	-59	0	0	0	111.8	A90 K91 S94 D100 L106	A90-N102 PolarHBondContact O-OD1 3.33Å; K91-N102 WeakPolarHBondContact CA-OD1 3.35Å; K91-N102 PolarHBondContact N-OD1 2.81Å; K91-N102 VanDerWaalsContact N-OD1 3.12Å; S94-N102 PolarHBondContact OG-N 3Å; S94-N102 PolarHBondContact OG-OD1 3.14Å; D100-N102 WeakPolarHBondContact OD1-CB 3.37Å; D100-N102 PolarHBondContact OD1-N 3.1Å; D100-N102 PolarHBondContact OD1-ND2 3.35Å; N102-L106 WeakPolarHBondContact O-CB 3.49Å; N102-L106 WeakPolarHBondContact O-CG 3.49Å; N102-L106 PolarHBondContact O-N 2.91Å; N102-L106 VanDerWaalsContact O-N 3.08Å
103	F	94.1	Very high	93.3	Very high	122 Å²	122	46 Å²	46	54%	0.535	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-46	-178.5	177.6	-96.1	0	0	0	111.3	M101 L106 N107 P113	M101-F103 VanDerWaalsContact C-N 3.32Å; M101-F103 PolarHBondContact O-N 3.11Å; F103-L106 PolarHBondContact O-N 3.14Å; F103-N107 WeakPolarHBondContact O-CB 3.23Å; F103-N107 PolarHBondContact O-N 2.83Å; F103-P113 HydrophobicContact CD2-CG 4.03Å; F103-P113 HydrophobicContact CE2-CG 4.28Å
104	E	95.7	Very high	92.6	Very high	61 Å²	61	54.6 Å²	54.6	29%	0.285	30%	0.304	S	S	.	.	H	α-helix	trans	-65.3	-42.3	-177.4	-66.8	76.6	-169.9	0	0	111.4	M101 T108 L138	M101-E104 VanDerWaalsContact C-OE2 3.31Å; M101-E104 WeakPolarHBondContact CA-OE2 3.45Å; M101-E104 HydrophobicContact CE-CB 3.62Å; M101-E104 HydrophobicContact CE-CG 3.78Å; M101-E104 PolarHBondContact O-N 3.16Å; M101-E104 HydrophobicContact SD-CG 4.38Å; E104-T108 VanDerWaalsContact O-CB 3.31Å; E104-T108 WeakPolarHBondContact O-CB 3.36Å; E104-T108 PolarHBondContact O-N 3.41Å; E104-T108 PolarHBondContact O-OG1 3.16Å; E104-L138 HydrophobicContact CB-CD1 4.19Å; E104-L138 HydrophobicContact CB-CD2 4.08Å
105	I	96.2	Very high	91.7	Very high	1 Å²	1	59 Å²	59	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-49.6	176.6	-68.3	166.6	0	0	0	110	A90 I93 M101 N107 T108 L109 L135 L138	A90-I105 HydrophobicContact CB-CB 4.1Å; A90-I105 HydrophobicContact CB-CG2 3.84Å; I93-I105 HydrophobicContact CB-CD1 3.83Å; I93-I105 HydrophobicContact CD1-CD1 4.42Å; I93-I105 HydrophobicContact CG2-CD1 3.62Å; M101-I105 HydrophobicContact CB-CD1 3.92Å; M101-I105 HydrophobicContact CB-CG1 4.25Å; M101-I105 WeakPolarHBondContact O-CB 3.45Å; M101-I105 WeakPolarHBondContact O-CD1 3.26Å; M101-I105 VanDerWaalsContact O-CG1 3.23Å; M101-I105 WeakPolarHBondContact O-CG1 3.48Å; M101-I105 PolarHBondContact O-N 2.95Å; I105-N107 VanDerWaalsContact C-N 3.32Å; I105-N107 PolarHBondContact O-N 2.89Å; I105-T108 PolarHBondContact O-N 3.44Å; I105-L109 HydrophobicContact CG2-CD1 4.03Å; I105-L109 WeakPolarHBondContact O-CG 3.36Å; I105-L109 PolarHBondContact O-N 2.76Å; I105-L135 HydrophobicContact CB-CD2 4.48Å; I105-L135 HydrophobicContact CG2-CD1 4.38Å; I105-L135 HydrophobicContact CG2-CD2 3.92Å; I105-L138 HydrophobicContact CB-CD2 4.48Å; I105-L138 HydrophobicContact CG1-CD2 3.85Å
106	L	95	Very high	91	Very high	13 Å²	13	59.1 Å²	59.1	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-60.4	-44	178.3	-71.5	175.9	0	0	0	111.3	M83 A86 R87 A90 N102 F103 T108 L109 G110 C111 P113	M83-L106 HydrophobicContact CE-CD2 3.9Å; A86-L106 HydrophobicContact CB-CD2 3.89Å; R87-L106 HydrophobicContact CG-CD2 4.47Å; A90-L106 HydrophobicContact CB-CD2 4.19Å; A90-L106 HydrophobicContact CB-CG 4.05Å; N102-L106 WeakPolarHBondContact O-CB 3.49Å; N102-L106 WeakPolarHBondContact O-CG 3.49Å; N102-L106 PolarHBondContact O-N 2.91Å; N102-L106 VanDerWaalsContact O-N 3.08Å; F103-L106 PolarHBondContact O-N 3.14Å; L106-T108 PolarHBondContact O-N 3.31Å; L106-L109 PolarHBondContact O-N 2.84Å; L106-G110 PolarHBondContact O-N 2.85Å; L106-C111 CarbonylContact C-O 3.6Å; L106-C111 HydrophobicContact CB-CB 4.08Å; L106-C111 HydrophobicContact CD2-CB 3.97Å; L106-C111 WeakPolarHBondContact O-CA 3.38Å; L106-C111 WeakPolarHBondContact O-CB 3.32Å; L106-C111 PolarHBondContact O-N 3.23Å; L106-P113 HydrophobicContact CB-CG 4.26Å; L106-P113 HydrophobicContact CD1-CB 4.34Å; L106-P113 HydrophobicContact CD1-CG 4.07Å
107	N	93.7	Very high	90.4	Very high	104 Å²	104	60.6 Å²	60.6	56%	0.556	32%	0.324	S	S	*	.	H	α-helix	trans	-63.1	-41.1	177.9	-171.2	63.8	0	0	0	111.9	F103 I105 L109 G110	F103-N107 WeakPolarHBondContact O-CB 3.23Å; F103-N107 PolarHBondContact O-N 2.83Å; I105-N107 VanDerWaalsContact C-N 3.32Å; I105-N107 PolarHBondContact O-N 2.89Å; N107-L109 VanDerWaalsContact C-N 3.3Å; N107-L109 PolarHBondContact O-N 3.36Å; N107-G110 PolarHBondContact O-N 3.28Å
108	T	95	Very high	89.9	Confident	44 Å²	44	59.8 Å²	59.8	27%	0.27	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-34.7	176.4	-59.5	0	0	0	0	112.2	E104 I105 L106 G110 V122 A134 L135 L138	E104-T108 VanDerWaalsContact O-CB 3.31Å; E104-T108 WeakPolarHBondContact O-CB 3.36Å; E104-T108 PolarHBondContact O-N 3.41Å; E104-T108 PolarHBondContact O-OG1 3.16Å; I105-T108 PolarHBondContact O-N 3.44Å; L106-T108 PolarHBondContact O-N 3.31Å; T108-G110 PolarHBondContact O-N 2.79Å; T108-V122 WeakPolarHBondContact O-CG1 3.21Å; T108-A134 HydrophobicContact CG2-CB 4.28Å; T108-L135 HydrophobicContact CG2-CD2 4.01Å; T108-L138 WeakPolarHBondContact OG1-CD2 3.09Å
109	L	94.7	Very high	89.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-4.8	174	-67.1	174.2	0	0	0	113.5	W85 A86 I105 L106 N107 C111 V122 L123 I131 L135	W85-L109 HydrophobicContact CZ3-CD1 4.15Å; A86-L109 HydrophobicContact CB-CD1 3.98Å; I105-L109 HydrophobicContact CG2-CD1 4.03Å; I105-L109 WeakPolarHBondContact O-CG 3.36Å; I105-L109 PolarHBondContact O-N 2.76Å; L106-L109 PolarHBondContact O-N 2.84Å; N107-L109 VanDerWaalsContact C-N 3.3Å; N107-L109 PolarHBondContact O-N 3.36Å; L109-C111 VanDerWaalsContact C-N 3.33Å; L109-V122 HydrophobicContact CD2-CG1 4.2Å; L109-L123 HydrophobicContact CB-CB 4.29Å; L109-L123 HydrophobicContact CB-CD2 4.25Å; L109-L123 HydrophobicContact CD2-CB 4.39Å; L109-L123 WeakPolarHBondContact O-CB 3.39Å; L109-I131 HydrophobicContact CD2-CG2 3.73Å; L109-L135 HydrophobicContact CD2-CD1 4.25Å; L109-L135 HydrophobicContact CD2-CD2 4.25Å; L109-L135 HydrophobicContact CD2-CG 4.35Å; L109-L135 HydrophobicContact CG-CD2 4.21Å
110	G	92.2	Very high	89.2	Confident	14 Å²	14	59 Å²	59	14%	0.144	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	81	10.3	-175.8	0	0	0	0	0	114.2	L106 N107 T108 N119	L106-G110 PolarHBondContact O-N 2.85Å; N107-G110 PolarHBondContact O-N 3.28Å; T108-G110 PolarHBondContact O-N 2.79Å; G110-N119 WeakPolarHBondContact O-CB 3.19Å; G110-N119 PolarHBondContact O-N 2.8Å; G110-N119 PolarHBondContact O-ND2 2.84Å
111	C	91.7	Very high	88.6	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.014	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.9	-178.6	-59.2	0	0	0	0	111	M83 L106 L109 P113	M83-C111 HydrophobicContact CE-CB 3.82Å; M83-C111 HydrophobicContact SD-CB 4.19Å; L106-C111 CarbonylContact C-O 3.6Å; L106-C111 HydrophobicContact CB-CB 4.08Å; L106-C111 HydrophobicContact CD2-CB 3.97Å; L106-C111 WeakPolarHBondContact O-CA 3.38Å; L106-C111 WeakPolarHBondContact O-CB 3.32Å; L106-C111 PolarHBondContact O-N 3.23Å; L109-C111 VanDerWaalsContact C-N 3.33Å; C111-P113 VanDerWaalsContact O-CD 3.23Å; C111-P113 WeakPolarHBondContact O-CD 3.35Å
112	C	85.7	Confident	88.3	Confident	32 Å²	32	55.9 Å²	55.9	22%	0.216	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	112.5	173.4	-177.7	0	0	0	0	110.4	K114 N115 H116 I117	C112-K114 VanDerWaalsContact C-N 3.29Å; C112-K114 PolarHBondContact O-N 3.07Å; C112-N115 HydrophobicContact CB-CB 4.48Å; C112-H116 WeakPolarHBondContact O-CA 3.26Å; C112-H116 PolarHBondContact O-N 3.46Å; C112-I117 PolarHBondContact N-O 3.41Å
113	P	76	Confident	88.1	Confident	43 Å²	43	53.8 Å²	53.8	28%	0.279	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-33	-177.6	-20.5	34.1	0	0	0	112.6	F103 L106 C111 H116	F103-P113 HydrophobicContact CD2-CG 4.03Å; F103-P113 HydrophobicContact CE2-CG 4.28Å; L106-P113 HydrophobicContact CB-CG 4.26Å; L106-P113 HydrophobicContact CD1-CB 4.34Å; L106-P113 HydrophobicContact CD1-CG 4.07Å; C111-P113 VanDerWaalsContact O-CD 3.23Å; C111-P113 WeakPolarHBondContact O-CD 3.35Å; P113-H116 PolarHBondContact O-CD2 2.95Å; P113-H116 PolarHBondContact O-NE2 3.45Å
114	K	80.5	Confident	87.7	Confident	181 Å²	181	48.6 Å²	48.6	79%	0.787	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-45.7	-176.8	-176.1	-177.7	178.4	-178.5	0	112.8	C112 H116	C112-K114 VanDerWaalsContact C-N 3.29Å; C112-K114 PolarHBondContact O-N 3.07Å; K114-H116 PolarHBondContact O-CD2 3.28Å
115	N	79.5	Confident	87.1	Confident	101 Å²	101	49.2 Å²	49.2	54%	0.54	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-10.1	-174.7	-62.3	-16	0	0	0	112.4	C112 I117	C112-N115 HydrophobicContact CB-CB 4.48Å; N115-I117 VanDerWaalsContact C-N 3.29Å; N115-I117 HydrophobicContact CB-CD1 3.97Å; N115-I117 HydrophobicContact CB-CG1 4.24Å; N115-I117 WeakPolarHBondContact O-CG1 3.44Å; N115-I117 PolarHBondContact O-N 3.44Å
116	H	80.3	Confident	86.6	Confident	98 Å²	98	49.6 Å²	49.6	45%	0.454	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	40.3	-177.3	-57.4	-116.3	0	0	0	112.5	N79 R87 C112 P113 K114	N79-H116 PolarHBondContact ND2-O 2.89Å; N79-H116 PolarHBondContact OD1-O 3Å; R87-H116 PolarHBondContact NH1-CE1 3.22Å; R87-H116 VanDerWaalsContact NH1-CE1 3.33Å; R87-H116 PolarHBondContact NH1-ND1 2.93Å; R87-H116 PolarHBondContact NH2-ND1 3.27Å; C112-H116 WeakPolarHBondContact O-CA 3.26Å; C112-H116 PolarHBondContact O-N 3.46Å; P113-H116 PolarHBondContact O-CD2 2.95Å; P113-H116 PolarHBondContact O-NE2 3.45Å; K114-H116 PolarHBondContact O-CD2 3.28Å
117	I	82.7	Confident	86.3	Confident	88 Å²	88	49.5 Å²	49.5	45%	0.451	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.2	-179	-61.1	167.2	0	0	0	109.2	C112 N115	C112-I117 PolarHBondContact N-O 3.41Å; N115-I117 VanDerWaalsContact C-N 3.29Å; N115-I117 HydrophobicContact CB-CD1 3.97Å; N115-I117 HydrophobicContact CB-CG1 4.24Å; N115-I117 WeakPolarHBondContact O-CG1 3.44Å; N115-I117 PolarHBondContact O-N 3.44Å
118	I	85.4	Confident	86.1	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.6	172.7	-55.9	175.5	0	0	0	109	F78 N79 W82 M83 L123 I273	F78-I118 HydrophobicContact CD1-CB 4.27Å; F78-I118 HydrophobicContact CD1-CD1 3.79Å; F78-I118 HydrophobicContact CD1-CG2 4.35Å; F78-I118 HydrophobicContact CE1-CB 4.24Å; F78-I118 HydrophobicContact CE1-CD1 3.68Å; F78-I118 HydrophobicContact CE1-CG2 3.84Å; N79-I118 PolarHBondContact OD1-N 3.48Å; W82-I118 HydrophobicContact CB-CD1 3.37Å; M83-I118 HydrophobicContact CB-CD1 4.17Å; M83-I118 HydrophobicContact CB-CG1 4.45Å; M83-I118 HydrophobicContact SD-CG1 4.19Å; I118-L123 HydrophobicContact CD1-CD2 3.99Å; I118-L123 HydrophobicContact CG2-CD2 4.29Å; I118-I273 HydrophobicContact CB-CD1 3.96Å; I118-I273 HydrophobicContact CG2-CD1 3.65Å
119	N	86.6	Confident	85.9	Confident	76 Å²	76	51.9 Å²	51.9	41%	0.406	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-96.8	165.2	177.6	-58.7	-74.5	0	0	0	110.4	G110 G121	G110-N119 WeakPolarHBondContact O-CB 3.19Å; G110-N119 PolarHBondContact O-N 2.8Å; G110-N119 PolarHBondContact O-ND2 2.84Å; N119-G121 PolarHBondContact O-N 2.82Å
120	P	82.8	Confident	85.8	Confident	76 Å²	76	56.2 Å²	56.2	49%	0.494	30%	0.3	S	S	.	.	S	Bend	trans	-50.8	137.6	169.3	-24	31.2	0	0	0	111.3	I273	P120-I273 HydrophobicContact CB-CG2 4.28Å; P120-I273 VanDerWaalsContact CD-CG2 3.43Å; P120-I273 HydrophobicContact CG-CG2 3.7Å; P120-I273 VanDerWaalsContact N-CG2 3.27Å
121	G	84.2	Confident	85.9	Confident	24 Å²	24	56.1 Å²	56.1	25%	0.247	30%	0.296	C	S	.	.	S	Bend	trans	160.1	-168	-173.7	0	0	0	0	0	113.2	N119 L123 A124 E125	N119-G121 PolarHBondContact O-N 2.82Å; G121-L123 VanDerWaalsContact C-N 3.29Å; G121-L123 PolarHBondContact O-N 3.4Å; G121-A124 PolarHBondContact O-N 2.65Å; G121-E125 PolarHBondContact O-N 3.4Å
122	V	88.2	Confident	86.1	Confident	35 Å²	35	57.1 Å²	57.1	21%	0.212	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-33.5	-171.9	71.1	0	0	0	0	113.5	T108 L109 G126 Q130 I131 A134	T108-V122 WeakPolarHBondContact O-CG1 3.21Å; L109-V122 HydrophobicContact CD2-CG1 4.2Å; V122-G126 VanDerWaalsContact O-CA 3.22Å; V122-G126 WeakPolarHBondContact O-CA 3.4Å; V122-G126 PolarHBondContact O-N 3.21Å; V122-Q130 HydrophobicContact CG2-CB 4.29Å; V122-I131 HydrophobicContact CG2-CG1 4.01Å; V122-A134 HydrophobicContact CG1-CB 4.38Å; V122-A134 HydrophobicContact CG2-CB 4.22Å
123	L	90.6	Very high	86.6	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-73	-32.9	176.6	-176.1	58.4	0	0	0	112.2	F78 W82 W85 A86 L109 I118 G121 I131	F78-L123 HydrophobicContact CE1-CG 4.47Å; W82-L123 HydrophobicContact CB-CD2 4.18Å; W82-L123 HydrophobicContact CD2-CD1 4.19Å; W82-L123 HydrophobicContact CE3-CD1 3.99Å; W82-L123 HydrophobicContact CZ3-CD1 4.5Å; W85-L123 HydrophobicContact CE3-CD1 4.12Å; W85-L123 HydrophobicContact CH2-CD1 4.48Å; W85-L123 HydrophobicContact CZ3-CD1 3.74Å; A86-L123 HydrophobicContact CB-CD2 4.24Å; L109-L123 HydrophobicContact CB-CB 4.29Å; L109-L123 HydrophobicContact CB-CD2 4.25Å; L109-L123 HydrophobicContact CD2-CB 4.39Å; L109-L123 WeakPolarHBondContact O-CB 3.39Å; I118-L123 HydrophobicContact CD1-CD2 3.99Å; I118-L123 HydrophobicContact CG2-CD2 4.29Å; G121-L123 VanDerWaalsContact C-N 3.29Å; G121-L123 PolarHBondContact O-N 3.4Å; L123-I131 HydrophobicContact CD1-CD1 3.93Å
124	A	85.4	Confident	87.5	Confident	14 Å²	14	58.8 Å²	58.8	12%	0.116	31%	0.308	C	S	.	.	H	α-helix	trans	-78.2	-33.6	-178.4	0	0	0	0	0	113	F78 G121 I273	F78-A124 HydrophobicContact CE2-CB 4.41Å; F78-A124 HydrophobicContact CZ-CB 4.18Å; G121-A124 PolarHBondContact O-N 2.65Å; A124-I273 HydrophobicContact CB-CD1 3.61Å; A124-I273 HydrophobicContact CB-CG2 4.33Å
125	E	83.6	Confident	88.4	Confident	73 Å²	73	50.2 Å²	50.2	34%	0.341	27%	0.27	S	S	.	.	H	α-helix	trans	-120.8	-20.5	-167.1	-63.2	171.7	-164.6	0	0	113.3	G121	G121-E125 PolarHBondContact O-N 3.4Å
126	G	85.4	Confident	89.2	Confident	9 Å²	9	45.6 Å²	45.6	9%	0.093	25%	0.246	C	C	.	.			trans	-95.6	160.7	-169.6	0	0	0	0	0	114.9	V122	V122-G126 VanDerWaalsContact O-CA 3.22Å; V122-G126 WeakPolarHBondContact O-CA 3.4Å; V122-G126 PolarHBondContact O-N 3.21Å
127	T	88.2	Confident	90.1	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.067	25%	0.249	C	C	.	.			trans	-78.6	166.4	172	67.3	0	0	0	0	111.7	E129 Q130 I131 P224	T127-E129 PolarHBondContact O-N 3.01Å; T127-E129 PolarHBondContact OG1-N 2.87Å; T127-Q130 PolarHBondContact O-N 2.88Å; T127-Q130 PolarHBondContact OG1-N 3.36Å; T127-I131 WeakPolarHBondContact O-CG1 3.49Å; T127-I131 PolarHBondContact O-N 2.88Å; T127-P224 HydrophobicContact CG2-CB 3.95Å; T127-P224 HydrophobicContact CG2-CG 4.16Å
128	E	90.3	Very high	90.8	Very high	60 Å²	60	42.4 Å²	42.4	28%	0.28	23%	0.233	S	C	.	.	H	α-helix	trans	-49.7	-43	171.2	-173.6	-176.8	119.1	0	0	111.8	Q130 I131 I132 I157 K158	E128-Q130 PolarHBondContact O-N 3.49Å; E128-I131 PolarHBondContact O-N 2.94Å; E128-I132 HydrophobicContact CG-CD1 3.97Å; E128-I132 VanDerWaalsContact O-CG1 3.29Å; E128-I132 WeakPolarHBondContact O-CG1 3.04Å; E128-I132 PolarHBondContact O-N 2.81Å; E128-I157 HydrophobicContact CG-CG2 3.61Å; E128-K158 VanDerWaalsContact OE1-CE 3.31Å; E128-K158 WeakPolarHBondContact OE1-CE 3.36Å
129	E	90.2	Very high	91.4	Very high	138 Å²	138	42.2 Å²	42.2	65%	0.645	23%	0.232	S	C	*	.	H	α-helix	trans	-63.1	-43.1	179.1	-174.7	175.6	-170.3	0	0	112	T127 I131 I132 I133	T127-E129 PolarHBondContact O-N 3.01Å; T127-E129 PolarHBondContact OG1-N 2.87Å; E129-I131 VanDerWaalsContact C-N 3.33Å; E129-I131 PolarHBondContact O-N 3.5Å; E129-I132 PolarHBondContact O-N 3.13Å; E129-I133 HydrophobicContact CG-CD1 4.1Å; E129-I133 VanDerWaalsContact O-CG1 3.29Å; E129-I133 WeakPolarHBondContact O-CG1 3.45Å; E129-I133 PolarHBondContact O-N 3.27Å
130	Q	92.7	Very high	91.9	Very high	92 Å²	92	41.4 Å²	41.4	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-65.8	-37.7	177.8	-69.5	171.9	-42.3	0	0	111.7	V122 T127 E128 I133 A134	V122-Q130 HydrophobicContact CG2-CB 4.29Å; T127-Q130 PolarHBondContact O-N 2.88Å; T127-Q130 PolarHBondContact OG1-N 3.36Å; E128-Q130 PolarHBondContact O-N 3.49Å; Q130-I133 PolarHBondContact O-N 3.33Å; Q130-A134 WeakPolarHBondContact O-CB 3.28Å; Q130-A134 PolarHBondContact O-N 3.16Å
131	I	94.1	Very high	92.6	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.062	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-46	173.5	-65	167.5	0	0	0	110.5	W85 L109 V122 L123 T127 E128 E129 I133 A134 L135 I157	W85-I131 HydrophobicContact CH2-CG2 4.36Å; L109-I131 HydrophobicContact CD2-CG2 3.73Å; V122-I131 HydrophobicContact CG2-CG1 4.01Å; L123-I131 HydrophobicContact CD1-CD1 3.93Å; T127-I131 WeakPolarHBondContact O-CG1 3.49Å; T127-I131 PolarHBondContact O-N 2.88Å; E128-I131 PolarHBondContact O-N 2.94Å; E129-I131 VanDerWaalsContact C-N 3.33Å; E129-I131 PolarHBondContact O-N 3.5Å; I131-I133 VanDerWaalsContact C-N 3.3Å; I131-I133 PolarHBondContact O-N 3.25Å; I131-A134 PolarHBondContact O-N 3.26Å; I131-L135 HydrophobicContact CG2-CD1 4.13Å; I131-L135 HydrophobicContact CG2-CG 4.4Å; I131-L135 PolarHBondContact O-N 3.33Å; I131-I157 HydrophobicContact CG2-CD1 3.86Å
132	I	95.3	Very high	93.2	Very high	22 Å²	22	44.5 Å²	44.5	11%	0.113	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-45.1	177.1	-72	166.1	0	0	0	110.5	E128 E129 T136 V153 I157	E128-I132 HydrophobicContact CG-CD1 3.97Å; E128-I132 VanDerWaalsContact O-CG1 3.29Å; E128-I132 WeakPolarHBondContact O-CG1 3.04Å; E128-I132 PolarHBondContact O-N 2.81Å; E129-I132 PolarHBondContact O-N 3.13Å; I132-T136 WeakPolarHBondContact O-CB 3.44Å; I132-T136 PolarHBondContact O-N 2.92Å; I132-T136 PolarHBondContact O-OG1 2.99Å; I132-V153 HydrophobicContact CB-CG1 4.23Å; I132-V153 HydrophobicContact CG1-CG1 4.14Å; I132-V153 HydrophobicContact CG2-CG1 4.15Å; I132-I157 HydrophobicContact CG1-CD1 3.72Å
133	I	96.1	Very high	93.5	Very high	85 Å²	85	46 Å²	46	44%	0.436	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-47.8	178.3	-69.1	165.1	0	0	0	110.8	E129 Q130 I131 L135 T136 N137	E129-I133 HydrophobicContact CG-CD1 4.1Å; E129-I133 VanDerWaalsContact O-CG1 3.29Å; E129-I133 WeakPolarHBondContact O-CG1 3.45Å; E129-I133 PolarHBondContact O-N 3.27Å; Q130-I133 PolarHBondContact O-N 3.33Å; I131-I133 VanDerWaalsContact C-N 3.3Å; I131-I133 PolarHBondContact O-N 3.25Å; I133-L135 PolarHBondContact O-N 3.3Å; I133-T136 PolarHBondContact O-N 2.93Å; I133-N137 WeakPolarHBondContact O-CB 3.28Å; I133-N137 VanDerWaalsContact O-CG 3.27Å; I133-N137 PolarHBondContact O-N 3.37Å; I133-N137 PolarHBondContact O-ND2 3.37Å
134	A	96.7	Very high	93.8	Very high	26 Å²	26	47 Å²	47	22%	0.215	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-48.3	-178.9	0	0	0	0	0	111.9	T108 V122 Q130 I131 N137 L138	T108-A134 HydrophobicContact CG2-CB 4.28Å; V122-A134 HydrophobicContact CG1-CB 4.38Å; V122-A134 HydrophobicContact CG2-CB 4.22Å; Q130-A134 WeakPolarHBondContact O-CB 3.28Å; Q130-A134 PolarHBondContact O-N 3.16Å; I131-A134 PolarHBondContact O-N 3.26Å; A134-N137 PolarHBondContact O-N 3.28Å; A134-L138 PolarHBondContact O-N 3.33Å; A134-L138 VanDerWaalsContact O-N 3.09Å
135	L	97.7	Very high	94.3	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-70.7	-35.1	179	-65.9	-174.6	0	0	0	112.6	I89 I93 I105 T108 L109 I131 I133 N137 L138 L139 V153 I157	I89-L135 HydrophobicContact CG2-CD1 4.29Å; I93-L135 HydrophobicContact CD1-CD1 4.19Å; I105-L135 HydrophobicContact CB-CD2 4.48Å; I105-L135 HydrophobicContact CG2-CD1 4.38Å; I105-L135 HydrophobicContact CG2-CD2 3.92Å; T108-L135 HydrophobicContact CG2-CD2 4.01Å; L109-L135 HydrophobicContact CD2-CD1 4.25Å; L109-L135 HydrophobicContact CD2-CD2 4.25Å; L109-L135 HydrophobicContact CD2-CG 4.35Å; L109-L135 HydrophobicContact CG-CD2 4.21Å; I131-L135 HydrophobicContact CG2-CD1 4.13Å; I131-L135 HydrophobicContact CG2-CG 4.4Å; I131-L135 PolarHBondContact O-N 3.33Å; I133-L135 PolarHBondContact O-N 3.3Å; L135-N137 PolarHBondContact O-N 2.68Å; L135-L138 HydrophobicContact CD2-CD2 4.35Å; L135-L138 WeakPolarHBondContact O-CB 3.35Å; L135-L138 PolarHBondContact O-N 2.9Å; L135-L139 WeakPolarHBondContact O-CG 3.47Å; L135-L139 PolarHBondContact O-N 2.84Å; L135-V153 HydrophobicContact CB-CG1 3.9Å; L135-V153 HydrophobicContact CB-CG2 3.97Å; L135-V153 HydrophobicContact CD1-CG1 4.37Å; L135-I157 HydrophobicContact CD1-CD1 4.31Å
136	T	98	Very high	94.9	Very high	4 Å²	4	53.8 Å²	53.8	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-49.1	173.1	-65.6	0	0	0	0	110.7	I132 I133 L138 L139 V140 A149 Q150	I132-T136 WeakPolarHBondContact O-CB 3.44Å; I132-T136 PolarHBondContact O-N 2.92Å; I132-T136 PolarHBondContact O-OG1 2.99Å; I133-T136 PolarHBondContact O-N 2.93Å; T136-L138 VanDerWaalsContact C-N 3.29Å; T136-L138 PolarHBondContact O-N 3.3Å; T136-L139 PolarHBondContact O-N 3.14Å; T136-V140 HydrophobicContact CG2-CG2 4.46Å; T136-V140 WeakPolarHBondContact O-CG2 3.37Å; T136-V140 PolarHBondContact O-N 3.37Å; T136-A149 HydrophobicContact CG2-CB 4.1Å; T136-Q150 HydrophobicContact CG2-CB 4.44Å; T136-Q150 HydrophobicContact CG2-CG 3.36Å
137	N	98	Very high	95.3	Very high	97 Å²	97	57.8 Å²	57.8	52%	0.519	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-37.3	-179.3	-70.4	-20.9	0	0	0	111.7	I133 A134 L135 V140 S141	I133-N137 WeakPolarHBondContact O-CB 3.28Å; I133-N137 VanDerWaalsContact O-CG 3.27Å; I133-N137 PolarHBondContact O-N 3.37Å; I133-N137 PolarHBondContact O-ND2 3.37Å; A134-N137 PolarHBondContact O-N 3.28Å; L135-N137 PolarHBondContact O-N 2.68Å; N137-V140 PolarHBondContact O-N 3.46Å; N137-S141 PolarHBondContact O-N 3.17Å
138	L	97.7	Very high	95.7	Very high	22 Å²	22	61.2 Å²	61.2	12%	0.115	35%	0.346	C	S	.	.	H	α-helix	trans	-59.3	-50	173.2	176.9	72.2	0	0	0	111.9	M101 E104 I105 T108 A134 L135 T136 V140 S141 H142	M101-L138 HydrophobicContact CE-CD2 4.44Å; M101-L138 HydrophobicContact CE-CG 4.25Å; E104-L138 HydrophobicContact CB-CD1 4.19Å; E104-L138 HydrophobicContact CB-CD2 4.08Å; I105-L138 HydrophobicContact CB-CD2 4.48Å; I105-L138 HydrophobicContact CG1-CD2 3.85Å; T108-L138 WeakPolarHBondContact OG1-CD2 3.09Å; A134-L138 PolarHBondContact O-N 3.33Å; A134-L138 VanDerWaalsContact O-N 3.09Å; L135-L138 HydrophobicContact CD2-CD2 4.35Å; L135-L138 WeakPolarHBondContact O-CB 3.35Å; L135-L138 PolarHBondContact O-N 2.9Å; T136-L138 VanDerWaalsContact C-N 3.29Å; T136-L138 PolarHBondContact O-N 3.3Å; L138-V140 VanDerWaalsContact C-N 3.29Å; L138-V140 PolarHBondContact O-N 3.01Å; L138-S141 PolarHBondContact O-N 3.04Å; L138-S141 PolarHBondContact O-OG 3.2Å; L138-H142 PolarHBondContact O-N 3.04Å; L138-H142 PolarHBondContact O-ND1 3.34Å
139	L	97.8	Very high	96	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-38	-179.7	-65.5	-173.9	0	0	0	111.4	I93 I97 L135 T136 S141 H142 G143 I144 A149 V153	I93-L139 HydrophobicContact CG2-CD1 3.92Å; I93-L139 HydrophobicContact CG2-CD2 4.18Å; I97-L139 HydrophobicContact CD1-CD2 3.73Å; L135-L139 WeakPolarHBondContact O-CG 3.47Å; L135-L139 PolarHBondContact O-N 2.84Å; T136-L139 PolarHBondContact O-N 3.14Å; L139-S141 PolarHBondContact O-N 2.85Å; L139-H142 CarbonylContact O-C 3.56Å; L139-H142 PolarHBondContact O-N 2.82Å; L139-H142 VanDerWaalsContact O-N 3.12Å; L139-G143 PolarHBondContact O-N 2.85Å; L139-I144 HydrophobicContact CB-CB 3.99Å; L139-I144 HydrophobicContact CB-CG1 4.07Å; L139-I144 HydrophobicContact CB-CG2 4.49Å; L139-I144 WeakPolarHBondContact O-CB 3.3Å; L139-I144 PolarHBondContact O-N 3.44Å; L139-A149 HydrophobicContact CB-CB 3.76Å; L139-A149 HydrophobicContact CD1-CB 4.16Å; L139-V153 HydrophobicContact CD1-CG2 3.7Å
140	V	97.4	Very high	96.3	Very high	60 Å²	60	56 Å²	56	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-41.2	175.7	172.2	0	0	0	0	112	T136 N137 L138 H142 G143 I144 K146 A149	T136-V140 HydrophobicContact CG2-CG2 4.46Å; T136-V140 WeakPolarHBondContact O-CG2 3.37Å; T136-V140 PolarHBondContact O-N 3.37Å; N137-V140 PolarHBondContact O-N 3.46Å; L138-V140 VanDerWaalsContact C-N 3.29Å; L138-V140 PolarHBondContact O-N 3.01Å; V140-H142 PolarHBondContact O-N 3.45Å; V140-G143 PolarHBondContact O-N 3.47Å; V140-G143 VanDerWaalsContact O-N 3.13Å; V140-I144 WeakPolarHBondContact CA-O 3.24Å; V140-K146 HydrophobicContact CG2-CB 4.07Å; V140-K146 HydrophobicContact CG2-CG 4.46Å; V140-A149 HydrophobicContact CG2-CB 4.08Å
141	S	97	Very high	96.5	Very high	90 Å²	90	55.2 Å²	55.2	63%	0.629	33%	0.326	S	S	*	.	H	α-helix	trans	-66.7	-16.6	177.1	76.4	0	0	0	0	113.3	N137 L138 L139	N137-S141 PolarHBondContact O-N 3.17Å; L138-S141 PolarHBondContact O-N 3.04Å; L138-S141 PolarHBondContact O-OG 3.2Å; L139-S141 PolarHBondContact O-N 2.85Å
142	H	96.1	Very high	96.6	Very high	74 Å²	74	54.8 Å²	54.8	34%	0.343	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	14.3	177.1	-66.5	79.1	0	0	0	113.1	M101 L138 L139 V140	M101-H142 HydrophobicContact CE-CB 3.91Å; M101-H142 WeakPolarHBondContact CE-ND1 3.23Å; M101-H142 HydrophobicContact SD-CB 4.26Å; L138-H142 PolarHBondContact O-N 3.04Å; L138-H142 PolarHBondContact O-ND1 3.34Å; L139-H142 CarbonylContact O-C 3.56Å; L139-H142 PolarHBondContact O-N 2.82Å; L139-H142 VanDerWaalsContact O-N 3.12Å; V140-H142 PolarHBondContact O-N 3.45Å
143	G	95.2	Very high	96.6	Very high	67 Å²	67	53.7 Å²	53.7	69%	0.691	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.5	2.1	170.7	0	0	0	0	0	115.5	L139 V140	L139-G143 PolarHBondContact O-N 2.85Å; V140-G143 PolarHBondContact O-N 3.47Å; V140-G143 VanDerWaalsContact O-N 3.13Å
144	I	96.1	Very high	96.6	Very high	29 Å²	29	51.2 Å²	51.2	15%	0.149	31%	0.309	C	S	.	.			trans	-77	133.5	174	-51.9	-57.5	0	0	0	109.4	I97 L139 V140 M148 A149	I97-I144 HydrophobicContact CB-CD1 4.19Å; I97-I144 HydrophobicContact CD1-CD1 4.48Å; I97-I144 HydrophobicContact CD1-CG1 4.42Å; L139-I144 HydrophobicContact CB-CB 3.99Å; L139-I144 HydrophobicContact CB-CG1 4.07Å; L139-I144 HydrophobicContact CB-CG2 4.49Å; L139-I144 WeakPolarHBondContact O-CB 3.3Å; L139-I144 PolarHBondContact O-N 3.44Å; V140-I144 WeakPolarHBondContact CA-O 3.24Å; I144-M148 HydrophobicContact CG2-CB 3.96Å; I144-M148 HydrophobicContact CG2-CG 4.01Å; I144-A149 HydrophobicContact CB-CB 4.47Å; I144-A149 HydrophobicContact CG2-CB 3.98Å
145	T	96.2	Very high	96.5	Very high	96 Å²	96	55.2 Å²	55.2	59%	0.589	32%	0.321	S	S	*	.			trans	-61.3	143.8	177.7	70.3	0	0	0	0	110.9	S147 M148 A149	T145-S147 PolarHBondContact O-N 3.03Å; T145-M148 PolarHBondContact O-N 3.45Å; T145-M148 VanDerWaalsContact O-N 3.09Å; T145-M148 WeakPolarHBondContact OG1-CB 3.44Å; T145-M148 PolarHBondContact OG1-N 3.35Å; T145-A149 WeakPolarHBondContact O-CB 3.3Å; T145-A149 PolarHBondContact O-N 2.66Å
146	K	96	Very high	96.3	Very high	133 Å²	133	56.3 Å²	56.3	58%	0.578	33%	0.326	S	S	*	.	H	α-helix	trans	-52.9	-41.9	-178	-174.5	177	-179.3	178.9	0	113	V140 Q150	V140-K146 HydrophobicContact CG2-CB 4.07Å; V140-K146 HydrophobicContact CG2-CG 4.46Å; K146-Q150 HydrophobicContact CG-CG 4.43Å; K146-Q150 WeakPolarHBondContact O-CB 3.23Å; K146-Q150 VanDerWaalsContact O-CG 3.27Å; K146-Q150 WeakPolarHBondContact O-CG 3.35Å; K146-Q150 PolarHBondContact O-N 3.26Å
147	S	95.5	Very high	96	Very high	94 Å²	94	56.6 Å²	56.6	66%	0.657	33%	0.327	S	S	*	.	H	α-helix	trans	-62.5	-48.3	178.5	-177.1	0	0	0	0	112	T145 S151	T145-S147 PolarHBondContact O-N 3.03Å; S147-S151 WeakPolarHBondContact O-CB 3.27Å; S147-S151 PolarHBondContact O-N 3.1Å; S147-S151 VanDerWaalsContact O-N 3.1Å
148	M	95.4	Very high	95.4	Very high	83 Å²	83	58.1 Å²	58.1	41%	0.409	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-46.6	177.7	-174.1	65.9	177.5	0	0	111.2	I144 T145 Q150 S151 T152	I144-M148 HydrophobicContact CG2-CB 3.96Å; I144-M148 HydrophobicContact CG2-CG 4.01Å; T145-M148 PolarHBondContact O-N 3.45Å; T145-M148 VanDerWaalsContact O-N 3.09Å; T145-M148 WeakPolarHBondContact OG1-CB 3.44Å; T145-M148 PolarHBondContact OG1-N 3.35Å; M148-Q150 PolarHBondContact O-N 3.29Å; M148-S151 PolarHBondContact O-N 3.46Å; M148-T152 WeakPolarHBondContact O-CB 3.38Å; M148-T152 PolarHBondContact O-N 3.17Å; M148-T152 PolarHBondContact O-OG1 2.68Å
149	A	96.8	Very high	94.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-57	-49.8	179	0	0	0	0	0	112.1	T136 L139 V140 I144 T145 S151 T152 V153	T136-A149 HydrophobicContact CG2-CB 4.1Å; L139-A149 HydrophobicContact CB-CB 3.76Å; L139-A149 HydrophobicContact CD1-CB 4.16Å; V140-A149 HydrophobicContact CG2-CB 4.08Å; I144-A149 HydrophobicContact CB-CB 4.47Å; I144-A149 HydrophobicContact CG2-CB 3.98Å; T145-A149 WeakPolarHBondContact O-CB 3.3Å; T145-A149 PolarHBondContact O-N 2.66Å; A149-S151 PolarHBondContact O-N 2.91Å; A149-T152 PolarHBondContact O-N 3.23Å; A149-V153 WeakPolarHBondContact O-CB 3.47Å; A149-V153 VanDerWaalsContact O-CG2 3.22Å; A149-V153 WeakPolarHBondContact O-CG2 3.4Å; A149-V153 PolarHBondContact O-N 2.88Å
150	Q	96.3	Very high	93.9	Very high	87 Å²	87	63.2 Å²	63.2	41%	0.407	37%	0.366	S	S	.	.	H	α-helix	trans	-60.7	-44.3	178.5	-74.4	179.6	-36.5	0	0	112	T136 K146 M148 S154	T136-Q150 HydrophobicContact CG2-CB 4.44Å; T136-Q150 HydrophobicContact CG2-CG 3.36Å; K146-Q150 HydrophobicContact CG-CG 4.43Å; K146-Q150 WeakPolarHBondContact O-CB 3.23Å; K146-Q150 VanDerWaalsContact O-CG 3.27Å; K146-Q150 WeakPolarHBondContact O-CG 3.35Å; K146-Q150 PolarHBondContact O-N 3.26Å; M148-Q150 PolarHBondContact O-N 3.29Å; Q150-S154 WeakPolarHBondContact O-CB 3.29Å; Q150-S154 PolarHBondContact O-N 3.34Å; Q150-S154 PolarHBondContact O-OG 2.86Å
151	S	96.3	Very high	93.1	Very high	76 Å²	76	63.5 Å²	63.5	53%	0.531	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-51.3	179.6	-175.9	0	0	0	0	111.7	S147 M148 A149 S154 K155	S147-S151 WeakPolarHBondContact O-CB 3.27Å; S147-S151 PolarHBondContact O-N 3.1Å; S147-S151 VanDerWaalsContact O-N 3.1Å; M148-S151 PolarHBondContact O-N 3.46Å; A149-S151 PolarHBondContact O-N 2.91Å; S151-S154 PolarHBondContact O-N 3.33Å; S151-K155 WeakPolarHBondContact O-CB 3.48Å; S151-K155 PolarHBondContact O-N 3.49Å
152	T	96.1	Very high	92.3	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.018	35%	0.347	C	S	.	.	H	α-helix	trans	-61.3	-48.6	-179.7	-66.1	0	0	0	0	112	I93 D96 I97 M148 A149 K155 H156	I93-T152 HydrophobicContact CG1-CG2 4.45Å; I93-T152 HydrophobicContact CG2-CG2 4.28Å; D96-T152 HydrophobicContact CB-CG2 3.94Å; I97-T152 HydrophobicContact CG2-CG2 4.03Å; M148-T152 WeakPolarHBondContact O-CB 3.38Å; M148-T152 PolarHBondContact O-N 3.17Å; M148-T152 PolarHBondContact O-OG1 2.68Å; A149-T152 PolarHBondContact O-N 3.23Å; T152-K155 PolarHBondContact O-N 2.64Å; T152-H156 PolarHBondContact O-CD2 3.33Å; T152-H156 PolarHBondContact O-N 2.94Å; T152-H156 VanDerWaalsContact O-N 3.17Å
153	V	96.8	Very high	91.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-49.4	-179.7	172.2	0	0	0	0	110.7	I93 I132 L135 L139 A149 K155 H156 I157	I93-V153 HydrophobicContact CD1-CG2 4.19Å; I132-V153 HydrophobicContact CB-CG1 4.23Å; I132-V153 HydrophobicContact CG1-CG1 4.14Å; I132-V153 HydrophobicContact CG2-CG1 4.15Å; L135-V153 HydrophobicContact CB-CG1 3.9Å; L135-V153 HydrophobicContact CB-CG2 3.97Å; L135-V153 HydrophobicContact CD1-CG1 4.37Å; L139-V153 HydrophobicContact CD1-CG2 3.7Å; A149-V153 WeakPolarHBondContact O-CB 3.47Å; A149-V153 VanDerWaalsContact O-CG2 3.22Å; A149-V153 WeakPolarHBondContact O-CG2 3.4Å; A149-V153 PolarHBondContact O-N 2.88Å; V153-K155 VanDerWaalsContact C-N 3.32Å; V153-K155 PolarHBondContact O-N 2.61Å; V153-H156 PolarHBondContact O-N 2.91Å; V153-I157 HydrophobicContact CG1-CD1 3.68Å; V153-I157 HydrophobicContact CG1-CG1 4.5Å; V153-I157 WeakPolarHBondContact O-CB 3.43Å; V153-I157 WeakPolarHBondContact O-CG1 3.25Å; V153-I157 PolarHBondContact O-N 3.03Å; V153-I157 VanDerWaalsContact O-N 3.08Å
154	S	94.5	Very high	91.2	Very high	33 Å²	33	59 Å²	59	23%	0.231	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-40.3	-179.3	-59.6	0	0	0	0	112.2	Q150 S151 K158	Q150-S154 WeakPolarHBondContact O-CB 3.29Å; Q150-S154 PolarHBondContact O-N 3.34Å; Q150-S154 PolarHBondContact O-OG 2.86Å; S151-S154 PolarHBondContact O-N 3.33Å; S154-K158 WeakPolarHBondContact O-CB 3.46Å; S154-K158 VanDerWaalsContact O-CG 3.28Å; S154-K158 WeakPolarHBondContact O-CG 3.44Å; S154-K158 PolarHBondContact O-N 3.47Å; S154-K158 VanDerWaalsContact O-N 3.14Å
155	K	94.5	Very high	90.7	Very high	109 Å²	109	63.8 Å²	63.8	47%	0.474	36%	0.355	S	S	.	.	H	α-helix	trans	-58.6	-52.3	177.2	169.9	-172.3	165	-162.5	0	111.4	D96 S151 T152 V153 A159	D96-K155 IonicContact OD1-NZ 3.31Å; D96-K155 PolarHBondContact OD1-NZ 3.39Å; D96-K155 IonicContact OD2-NZ 2.94Å; D96-K155 PolarHBondContact OD2-NZ 3.47Å; S151-K155 WeakPolarHBondContact O-CB 3.48Å; S151-K155 PolarHBondContact O-N 3.49Å; T152-K155 PolarHBondContact O-N 2.64Å; V153-K155 VanDerWaalsContact C-N 3.32Å; V153-K155 PolarHBondContact O-N 2.61Å; K155-A159 WeakPolarHBondContact O-CB 3.46Å; K155-A159 PolarHBondContact O-N 3.22Å; K155-A159 VanDerWaalsContact O-N 3.11Å
156	H	94.5	Very high	90.3	Very high	24 Å²	24	62 Å²	62	11%	0.111	34%	0.34	C	S	.	.	H	α-helix	trans	-73.2	-37	-173.9	-71.6	-59	0	0	0	113.2	I89 N92 I93 D96 T152 V153	I89-H156 HydrophobicContact CD1-CB 4.23Å; I89-H156 WeakPolarHBondContact CD1-O 3.3Å; N92-H156 HydrophobicContact CB-CB 4.5Å; I93-H156 HydrophobicContact CG1-CB 4.2Å; D96-H156 WeakPolarHBondContact CB-NE2 3.46Å; D96-H156 IonicContact OD2-CD2 2.74Å; D96-H156 IonicContact OD2-CE1 2.65Å; D96-H156 IonicContact OD2-NE2 2.87Å; D96-H156 PolarHBondContact OD2-NE2 3.2Å; T152-H156 PolarHBondContact O-CD2 3.33Å; T152-H156 PolarHBondContact O-N 2.94Å; T152-H156 VanDerWaalsContact O-N 3.17Å; V153-H156 PolarHBondContact O-N 2.91Å
157	I	91.3	Very high	89.9	Confident	10 Å²	10	56 Å²	56	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-64.5	-47.2	176.6	-72.7	177.3	0	0	0	110.7	W85 I89 E128 I131 I132 L135 V153 A159	W85-I157 HydrophobicContact CH2-CG1 4.28Å; W85-I157 HydrophobicContact CZ2-CG1 4.09Å; W85-I157 HydrophobicContact CZ2-CG2 4.31Å; I89-I157 HydrophobicContact CD1-CG1 4.17Å; E128-I157 HydrophobicContact CG-CG2 3.61Å; I131-I157 HydrophobicContact CG2-CD1 3.86Å; I132-I157 HydrophobicContact CG1-CD1 3.72Å; L135-I157 HydrophobicContact CD1-CD1 4.31Å; V153-I157 HydrophobicContact CG1-CD1 3.68Å; V153-I157 HydrophobicContact CG1-CG1 4.5Å; V153-I157 WeakPolarHBondContact O-CB 3.43Å; V153-I157 WeakPolarHBondContact O-CG1 3.25Å; V153-I157 PolarHBondContact O-N 3.03Å; V153-I157 VanDerWaalsContact O-N 3.08Å; I157-A159 PolarHBondContact O-N 3.25Å
158	K	86.6	Confident	89.4	Confident	130 Å²	130	54.6 Å²	54.6	57%	0.565	30%	0.302	S	S	*	.	H	α-helix	trans	-74.9	-25.5	-176.2	-67.6	179.3	-179.8	-175	0	114.2	E128 S154	E128-K158 VanDerWaalsContact OE1-CE 3.31Å; E128-K158 WeakPolarHBondContact OE1-CE 3.36Å; S154-K158 WeakPolarHBondContact O-CB 3.46Å; S154-K158 VanDerWaalsContact O-CG 3.28Å; S154-K158 WeakPolarHBondContact O-CG 3.44Å; S154-K158 PolarHBondContact O-N 3.47Å; S154-K158 VanDerWaalsContact O-N 3.14Å
159	A	84	Confident	88.8	Confident	72 Å²	72	53.8 Å²	53.8	60%	0.595	30%	0.302	S	S	*	.	H	α-helix	trans	-76.5	-27	-179	0	0	0	0	0	113.1	K155 I157 S161	K155-A159 WeakPolarHBondContact O-CB 3.46Å; K155-A159 PolarHBondContact O-N 3.22Å; K155-A159 VanDerWaalsContact O-N 3.11Å; I157-A159 PolarHBondContact O-N 3.25Å; A159-S161 PolarHBondContact O-N 2.96Å
160	L	80.1	Confident	88	Confident	58 Å²	58	56 Å²	56	30%	0.304	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-77.8	125.8	-172	-164.9	57.8	0	0	0	110.7	W85 T88 I89	W85-L160 HydrophobicContact CG-CD2 4.01Å; T88-L160 HydrophobicContact CG2-CD1 3.95Å; T88-L160 HydrophobicContact CG2-CD2 3.9Å; I89-L160 HydrophobicContact CD1-CB 4.48Å; I89-L160 HydrophobicContact CD1-CD2 3.96Å; I89-L160 HydrophobicContact CG1-CD2 4.15Å
161	S	80.3	Confident	87	Confident	65 Å²	65	53.4 Å²	53.4	46%	0.455	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-98.6	147.8	172	-59.6	0	0	0	0	109.5	A159	A159-S161 PolarHBondContact O-N 2.96Å
162	L	80.6	Confident	86	Confident	23 Å²	23	54.6 Å²	54.6	12%	0.12	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-71.3	143.2	177	-64.2	173.4	0	0	0	109.7	M81 Q200	M81-L162 HydrophobicContact CG-CD2 4.05Å; M81-L162 HydrophobicContact SD-CD1 3.97Å; M81-L162 HydrophobicContact SD-CD2 4.31Å; L162-Q200 PolarHBondContact O-NE2 2.93Å
163	S	81.9	Confident	85.3	Confident	40 Å²	40	54.7 Å²	54.7	28%	0.28	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-92.6	134.1	173.1	-38.2	0	0	0	0	110.5	E165 H166	S163-E165 WeakPolarHBondContact CB-OE1 3.48Å; S163-E165 WeakPolarHBondContact CB-OE2 3.26Å; S163-E165 PolarHBondContact O-N 2.85Å; S163-E165 PolarHBondContact OG-OE1 2.87Å; S163-H166 PolarHBondContact O-N 3.28Å
164	P	84.6	Confident	84.3	Confident	73 Å²	73	58.1 Å²	58.1	47%	0.474	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-52.3	-37.5	179	-28.2	36.1	0	0	0	114.4	H166 I167 V204	P164-H166 PolarHBondContact O-N 3.17Å; P164-I167 PolarHBondContact O-N 2.62Å; P164-I167 VanDerWaalsContact O-N 3.11Å; P164-V204 HydrophobicContact CB-CG1 4.27Å; P164-V204 HydrophobicContact CB-CG2 4.04Å; P164-V204 HydrophobicContact CG-CG2 4.32Å
165	E	85.7	Confident	83.1	Confident	131 Å²	131	58 Å²	58	61%	0.612	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-64.9	-18.6	-180	66.1	-86.1	-164.4	0	0	114.3	S163	S163-E165 WeakPolarHBondContact CB-OE1 3.48Å; S163-E165 WeakPolarHBondContact CB-OE2 3.26Å; S163-E165 PolarHBondContact O-N 2.85Å; S163-E165 PolarHBondContact OG-OE1 2.87Å
166	H	88.5	Confident	82.3	Confident	57 Å²	57	53.3 Å²	53.3	26%	0.264	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-90.8	-10.9	177.8	-63.6	140.4	0	0	0	112.9	S80 M81 S163 P164 V168	S80-H166 CarbonylContact C-O 3.5Å; S80-H166 WeakPolarHBondContact CB-O 3.41Å; S80-H166 WeakPolarHBondContact O-CB 3.49Å; S80-H166 PolarHBondContact OG-O 2.87Å; M81-H166 PolarHBondContact N-O 3.21Å; S163-H166 PolarHBondContact O-N 3.28Å; P164-H166 PolarHBondContact O-N 3.17Å; H166-V168 PolarHBondContact O-N 3.12Å
167	I	88.3	Confident	81.7	Confident	9 Å²	9	52.2 Å²	52.2	5%	0.046	30%	0.297	C	S	.	.			trans	-88.6	83.6	179.3	-61.9	157.8	0	0	0	108.1	V76 P164 A201 V204 L205	V76-I167 HydrophobicContact CG2-CG2 4.28Å; P164-I167 PolarHBondContact O-N 2.62Å; P164-I167 VanDerWaalsContact O-N 3.11Å; I167-A201 HydrophobicContact CD1-CB 4.13Å; I167-A201 HydrophobicContact CG1-CB 4.32Å; I167-A201 HydrophobicContact CG2-CB 4.26Å; I167-V204 HydrophobicContact CB-CB 4.5Å; I167-V204 HydrophobicContact CB-CG1 4.07Å; I167-V204 HydrophobicContact CD1-CB 4Å; I167-V204 HydrophobicContact CD1-CG1 4.28Å; I167-V204 HydrophobicContact CD1-CG2 3.85Å; I167-V204 HydrophobicContact CG2-CB 4.29Å; I167-V204 HydrophobicContact CG2-CG1 4.12Å; I167-L205 HydrophobicContact CG2-CD2 3.83Å; I167-L205 HydrophobicContact CG2-CG 3.89Å
168	V	84	Confident	80.9	Confident	64 Å²	64	52.9 Å²	52.9	39%	0.388	30%	0.302	S	S	.	.			trans	-98.2	118.6	-178.3	179.9	0	0	0	0	109.6	V76 C77 H166	V76-V168 WeakPolarHBondContact CA-O 3.19Å; C77-V168 HydrophobicContact CB-CB 4.15Å; C77-V168 HydrophobicContact CB-CG1 4.47Å; C77-V168 PolarHBondContact N-O 3.26Å; H166-V168 PolarHBondContact O-N 3.12Å
169	P	83.5	Confident	80.2	Confident	65 Å²	65	47.1 Å²	47.1	42%	0.422	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-68.6	143.6	175.6	26.8	-32.1	0	0	0	111.7	I75 I173 L205	I75-P169 WeakPolarHBondContact O-CA 3.36Å; P169-I173 HydrophobicContact CB-CG1 4.01Å; P169-L205 HydrophobicContact CB-CD2 3.81Å; P169-L205 HydrophobicContact CG-CD2 4.14Å
170	L	80	Confident	80.1	Confident	48 Å²	48	43.7 Å²	43.7	25%	0.251	25%	0.249	S	C	.	.	S	Bend	trans	-86.1	-11.7	179.7	-76.6	167.5	0	0	0	114.6	G73 T74 I75 V76 C77	G73-L170 VanDerWaalsContact C-CD1 3.42Å; G73-L170 VanDerWaalsContact O-CD1 3.25Å; G73-L170 WeakPolarHBondContact O-CD1 3.45Å; T74-L170 WeakPolarHBondContact O-CD1 3.21Å; I75-L170 PolarHBondContact O-N 2.83Å; V76-L170 WeakPolarHBondContact O-CD1 3.47Å; C77-L170 HydrophobicContact CB-CD2 3.86Å; C77-L170 HydrophobicContact CB-CG 4.2Å
171	A	74.8	Confident	79.9	Confident	31 Å²	31	43.7 Å²	43.7	26%	0.256	25%	0.245	S	C	.	.	S	Bend	trans	-160	-175.3	175.9	0	0	0	0	0	108.6	I173 V313	A171-I173 HydrophobicContact CB-CD1 4.07Å; A171-I173 WeakPolarHBondContact O-CG1 3.49Å; A171-I173 PolarHBondContact O-N 2.82Å; A171-V313 HydrophobicContact CB-CG1 3.94Å
172	D	75.9	Confident	79.2	Confident	102 Å²	102	40.7 Å²	40.7	55%	0.545	22%	0.224	S	C	.	.			trans	-73.1	78.5	166.7	-170.1	-14.2	0	0	0	110.6	K174 S175 M176	D172-K174 VanDerWaalsContact C-N 3.28Å; D172-K174 PolarHBondContact O-N 2.78Å; D172-K174 PolarHBondContact OD1-N 3.22Å; D172-S175 PolarHBondContact O-N 3.38Å; D172-S175 VanDerWaalsContact OD1-CB 3.27Å; D172-S175 WeakPolarHBondContact OD1-CB 3.11Å; D172-S175 PolarHBondContact OD1-N 3.49Å; D172-S175 WeakPolarHBondContact OD2-CB 3.46Å; D172-M176 WeakPolarHBondContact O-CB 3.35Å; D172-M176 PolarHBondContact O-N 3.46Å
173	I	81.1	Confident	78.8	Confident	5 Å²	5	40 Å²	40	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-61.9	-39.3	-176.4	-51.3	-51.7	0	0	0	110.7	I75 P169 A171 M176 I177 V207 V313	I75-I173 HydrophobicContact CB-CD1 3.93Å; I75-I173 HydrophobicContact CB-CG1 4.14Å; I75-I173 HydrophobicContact CB-CG2 4.14Å; I75-I173 HydrophobicContact CG2-CD1 4.05Å; I75-I173 HydrophobicContact CG2-CG2 4.07Å; P169-I173 HydrophobicContact CB-CG1 4.01Å; A171-I173 HydrophobicContact CB-CD1 4.07Å; A171-I173 WeakPolarHBondContact O-CG1 3.49Å; A171-I173 PolarHBondContact O-N 2.82Å; I173-M176 HydrophobicContact CG2-CE 4.39Å; I173-M176 PolarHBondContact O-N 3.19Å; I173-I177 HydrophobicContact CG2-CD1 3.62Å; I173-I177 HydrophobicContact CG2-CG1 4.16Å; I173-I177 WeakPolarHBondContact O-CB 3.16Å; I173-I177 VanDerWaalsContact O-CG1 3.31Å; I173-I177 WeakPolarHBondContact O-CG1 3.43Å; I173-I177 PolarHBondContact O-N 2.77Å; I173-V207 HydrophobicContact CB-CG1 4.48Å; I173-V207 HydrophobicContact CG2-CG1 4.16Å; I173-V313 HydrophobicContact CD1-CG1 3.55Å
174	K	74.8	Confident	78.4	Confident	71 Å²	71	39.7 Å²	39.7	31%	0.309	22%	0.218	S	C	.	.	H	α-helix	trans	-63.9	-49.9	-178.9	-173.8	175.8	177.5	175.7	0	110.3	D172 T178 D206 V207 L210	D172-K174 VanDerWaalsContact C-N 3.28Å; D172-K174 PolarHBondContact O-N 2.78Å; D172-K174 PolarHBondContact OD1-N 3.22Å; K174-T178 WeakPolarHBondContact O-CB 3.42Å; K174-T178 PolarHBondContact O-N 3.41Å; K174-T178 PolarHBondContact O-OG1 2.96Å; K174-D206 WeakPolarHBondContact CE-OD2 3.26Å; K174-D206 IonicContact NZ-OD2 2.84Å; K174-D206 PolarHBondContact NZ-OD2 3.22Å; K174-V207 HydrophobicContact CB-CG1 3.97Å; K174-V207 HydrophobicContact CG-CG1 4.45Å; K174-L210 HydrophobicContact CG-CD1 3.92Å
175	S	69.8	Low	78.5	Confident	32 Å²	32	36.3 Å²	36.3	22%	0.224	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-42.9	177.1	-177.5	0	0	0	0	112.1	D172 T178 T179	D172-S175 PolarHBondContact O-N 3.38Å; D172-S175 VanDerWaalsContact OD1-CB 3.27Å; D172-S175 WeakPolarHBondContact OD1-CB 3.11Å; D172-S175 PolarHBondContact OD1-N 3.49Å; D172-S175 WeakPolarHBondContact OD2-CB 3.46Å; S175-T178 WeakPolarHBondContact O-CB 3.33Å; S175-T178 PolarHBondContact O-N 3.35Å; S175-T179 WeakPolarHBondContact O-CB 3.12Å; S175-T179 PolarHBondContact O-N 3.12Å; S175-T179 PolarHBondContact O-OG1 3.3Å
176	M	78.9	Confident	78.7	Confident	10 Å²	10	33.7 Å²	33.7	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-51.7	178.7	179.4	-164.3	66.8	0	0	112.6	F69 D172 I173 T178 T179 L180 V313 I316 L317	F69-M176 HydrophobicContact CD1-CE 4.45Å; F69-M176 HydrophobicContact CE1-CE 3.55Å; F69-M176 HydrophobicContact CE1-SD 4.3Å; F69-M176 HydrophobicContact CZ-CE 3.65Å; F69-M176 HydrophobicContact CZ-SD 4.5Å; D172-M176 WeakPolarHBondContact O-CB 3.35Å; D172-M176 PolarHBondContact O-N 3.46Å; I173-M176 HydrophobicContact CG2-CE 4.39Å; I173-M176 PolarHBondContact O-N 3.19Å; M176-T178 VanDerWaalsContact C-N 3.27Å; M176-T178 PolarHBondContact O-N 3.17Å; M176-T179 WeakPolarHBondContact O-CB 3.28Å; M176-T179 PolarHBondContact O-N 2.77Å; M176-L180 PolarHBondContact O-N 3.4Å; M176-V313 HydrophobicContact CE-CG2 3.74Å; M176-V313 HydrophobicContact SD-CG1 4.49Å; M176-V313 HydrophobicContact SD-CG2 3.7Å; M176-V313 VanDerWaalsContact SD-O 3.36Å; M176-I316 HydrophobicContact CE-CD1 4.45Å; M176-I316 HydrophobicContact SD-CD1 3.64Å; M176-I316 HydrophobicContact SD-CG1 3.87Å; M176-L317 HydrophobicContact CG-CD1 4.48Å; M176-L317 HydrophobicContact CG-CD2 4.16Å; M176-L317 HydrophobicContact CG-CG 4.23Å
177	I	81.8	Confident	79	Confident	1 Å²	1	31 Å²	31	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-38.9	179.1	-65	176.8	0	0	0	109.9	F69 I173 T179 L180 R181 T187 V207 L210 L211	F69-I177 HydrophobicContact CE2-CG1 4.45Å; I173-I177 HydrophobicContact CG2-CD1 3.62Å; I173-I177 HydrophobicContact CG2-CG1 4.16Å; I173-I177 WeakPolarHBondContact O-CB 3.16Å; I173-I177 VanDerWaalsContact O-CG1 3.31Å; I173-I177 WeakPolarHBondContact O-CG1 3.43Å; I173-I177 PolarHBondContact O-N 2.77Å; I177-T179 PolarHBondContact O-N 3.15Å; I177-L180 PolarHBondContact O-N 3.04Å; I177-R181 HydrophobicContact CG2-CG 4.49Å; I177-R181 WeakPolarHBondContact O-CG 3.47Å; I177-R181 PolarHBondContact O-N 2.91Å; I177-T187 HydrophobicContact CG2-CG2 4.02Å; I177-V207 HydrophobicContact CD1-CB 4.21Å; I177-V207 HydrophobicContact CD1-CG1 4.46Å; I177-V207 HydrophobicContact CD1-CG2 4.48Å; I177-L210 HydrophobicContact CB-CB 4.37Å; I177-L210 HydrophobicContact CB-CD1 4.32Å; I177-L210 HydrophobicContact CG2-CB 3.49Å; I177-L210 VanDerWaalsContact CG2-CB 3.49Å; I177-L210 HydrophobicContact CG2-CD1 4.27Å; I177-L210 HydrophobicContact CG2-CG 4.5Å; I177-L211 HydrophobicContact CD1-CD2 4.19Å
178	T	73.7	Confident	79.5	Confident	24 Å²	24	30.6 Å²	30.6	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-56	-52.7	173.1	-62	0	0	0	0	109.9	K174 S175 M176 L180 R181 Q182 P569	K174-T178 WeakPolarHBondContact O-CB 3.42Å; K174-T178 PolarHBondContact O-N 3.41Å; K174-T178 PolarHBondContact O-OG1 2.96Å; S175-T178 WeakPolarHBondContact O-CB 3.33Å; S175-T178 PolarHBondContact O-N 3.35Å; M176-T178 VanDerWaalsContact C-N 3.27Å; M176-T178 PolarHBondContact O-N 3.17Å; T178-L180 VanDerWaalsContact C-N 3.32Å; T178-L180 PolarHBondContact O-N 3.28Å; T178-R181 CarbonylContact O-C 3.32Å; T178-R181 WeakPolarHBondContact O-CA 3.13Å; T178-R181 WeakPolarHBondContact O-CB 3.22Å; T178-R181 PolarHBondContact O-N 2.86Å; T178-Q182 HydrophobicContact CG2-CG 4.22Å; T178-Q182 WeakPolarHBondContact O-CG 3.5Å; T178-Q182 PolarHBondContact O-N 3.28Å; T178-P569 HydrophobicContact CG2-CB 4.1Å
179	T	71.6	Confident	80.1	Confident	9 Å²	9	27.5 Å²	27.5	6%	0.055	15%	0.149	C	C	.	.	H	α-helix	trans	-52.9	-45.3	178.3	-59.9	0	0	0	0	112.5	S175 M176 I177 Q182 H183 L317	S175-T179 WeakPolarHBondContact O-CB 3.12Å; S175-T179 PolarHBondContact O-N 3.12Å; S175-T179 PolarHBondContact O-OG1 3.3Å; M176-T179 WeakPolarHBondContact O-CB 3.28Å; M176-T179 PolarHBondContact O-N 2.77Å; I177-T179 PolarHBondContact O-N 3.15Å; T179-Q182 WeakPolarHBondContact O-CB 3.35Å; T179-Q182 PolarHBondContact O-N 3.26Å; T179-H183 PolarHBondContact O-N 2.96Å; T179-H183 PolarHBondContact O-ND1 2.68Å; T179-L317 HydrophobicContact CG2-CD1 4Å; T179-L317 HydrophobicContact CG2-CD2 4.02Å
180	L	81.5	Confident	80.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-47.7	175.3	-69.3	172.3	0	0	0	111.6	V67 F69 M176 I177 T178 Q182 H183 S184 I185 T187 L317 V320 L321	V67-L180 HydrophobicContact CB-CD1 4.3Å; V67-L180 HydrophobicContact CG2-CD1 4.04Å; V67-L180 HydrophobicContact CG2-CD2 4.23Å; F69-L180 HydrophobicContact CE2-CD1 4.07Å; F69-L180 HydrophobicContact CZ-CD1 3.63Å; M176-L180 PolarHBondContact O-N 3.4Å; I177-L180 PolarHBondContact O-N 3.04Å; T178-L180 VanDerWaalsContact C-N 3.32Å; T178-L180 PolarHBondContact O-N 3.28Å; L180-Q182 VanDerWaalsContact C-N 3.26Å; L180-Q182 PolarHBondContact O-N 3.18Å; L180-H183 CarbonylContact O-C 3.55Å; L180-H183 WeakPolarHBondContact O-CA 3.44Å; L180-H183 PolarHBondContact O-N 3.3Å; L180-S184 PolarHBondContact O-N 3.17Å; L180-I185 HydrophobicContact CB-CB 4.18Å; L180-I185 HydrophobicContact CB-CG2 4.38Å; L180-I185 HydrophobicContact CD2-CD1 4.09Å; L180-I185 HydrophobicContact CD2-CG2 4.34Å; L180-I185 VanDerWaalsContact O-CB 3.32Å; L180-I185 WeakPolarHBondContact O-CB 3.47Å; L180-I185 PolarHBondContact O-N 2.82Å; L180-T187 HydrophobicContact CB-CG2 4.19Å; L180-T187 HydrophobicContact CD1-CG2 4.12Å; L180-L317 HydrophobicContact CD2-CD2 3.78Å; L180-L317 HydrophobicContact CG-CD2 3.96Å; L180-V320 HydrophobicContact CD2-CB 4.32Å; L180-V320 HydrophobicContact CD2-CG1 3.79Å; L180-L321 HydrophobicContact CD2-CD1 4.31Å
181	R	75.9	Confident	81.6	Confident	57 Å²	57	22.5 Å²	22.5	22%	0.215	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-35.5	177.4	-67.5	171	70.6	82.3	6.1	112.1	I177 T178 H183 S184 L210 D212	I177-R181 HydrophobicContact CG2-CG 4.49Å; I177-R181 WeakPolarHBondContact O-CG 3.47Å; I177-R181 PolarHBondContact O-N 2.91Å; T178-R181 CarbonylContact O-C 3.32Å; T178-R181 WeakPolarHBondContact O-CA 3.13Å; T178-R181 WeakPolarHBondContact O-CB 3.22Å; T178-R181 PolarHBondContact O-N 2.86Å; R181-H183 PolarHBondContact O-N 3.3Å; R181-S184 WeakPolarHBondContact O-CA 3.42Å; R181-S184 PolarHBondContact O-N 2.93Å; R181-L210 WeakPolarHBondContact CD-O 3.4Å; R181-L210 PolarHBondContact NH1-O 3.05Å; R181-D212 IonicContact CZ-OD1 2.78Å; R181-D212 IonicContact NH1-OD1 2.94Å; R181-D212 PolarHBondContact NH1-OD1 3.11Å; R181-D212 IonicContact NH1-OD2 2.95Å
182	Q	66.8	Low	82.4	Confident	3 Å²	3	21.6 Å²	21.6	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-58.6	-36.8	173.9	-40.7	-162.2	-34.7	0	0	110.3	V57 T178 T179 L180 S184 L551 A557	V57-Q182 WeakPolarHBondContact CG1-O 3.41Å; V57-Q182 HydrophobicContact CG2-CB 3.45Å; V57-Q182 VanDerWaalsContact CG2-CB 3.45Å; V57-Q182 HydrophobicContact CG2-CG 4.41Å; T178-Q182 HydrophobicContact CG2-CG 4.22Å; T178-Q182 WeakPolarHBondContact O-CG 3.5Å; T178-Q182 PolarHBondContact O-N 3.28Å; T179-Q182 WeakPolarHBondContact O-CB 3.35Å; T179-Q182 PolarHBondContact O-N 3.26Å; L180-Q182 VanDerWaalsContact C-N 3.26Å; L180-Q182 PolarHBondContact O-N 3.18Å; Q182-S184 PolarHBondContact O-N 3.33Å; Q182-L551 HydrophobicContact CB-CD1 3.28Å; Q182-L551 HydrophobicContact CG-CD1 3.12Å; Q182-L551 HydrophobicContact CG-CG 4.44Å; Q182-A557 HydrophobicContact CB-CB 4.32Å; Q182-A557 WeakPolarHBondContact O-CB 3.22Å
183	H	71.4	Confident	83.2	Confident	7 Å²	7	17.8 Å²	17.8	3%	0.032	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	15.5	175.4	-66.8	83.1	0	0	0	114.3	L56 V57 S58 T179 L180 R181 I185 L321	L56-H183 PolarHBondContact O-CE1 3.06Å; L56-H183 PolarHBondContact O-NE2 2.74Å; V57-H183 VanDerWaalsContact CA-NE2 3.3Å; V57-H183 WeakPolarHBondContact CA-NE2 3.44Å; S58-H183 PolarHBondContact N-CD2 2.93Å; S58-H183 VanDerWaalsContact N-CD2 3.3Å; S58-H183 PolarHBondContact N-NE2 3.1Å; T179-H183 PolarHBondContact O-N 2.96Å; T179-H183 PolarHBondContact O-ND1 2.68Å; L180-H183 CarbonylContact O-C 3.55Å; L180-H183 WeakPolarHBondContact O-CA 3.44Å; L180-H183 PolarHBondContact O-N 3.3Å; R181-H183 PolarHBondContact O-N 3.3Å; H183-I185 HydrophobicContact CB-CD1 4.37Å; H183-I185 HydrophobicContact CB-CG1 4.13Å; H183-I185 PolarHBondContact O-N 3.48Å; H183-L321 HydrophobicContact CB-CD1 4.32Å; H183-L321 HydrophobicContact CB-CD2 3.75Å; H183-L321 VanDerWaalsContact CE1-CD1 3.5Å; H183-L321 WeakPolarHBondContact CE1-CD1 3.43Å
184	S	74.9	Confident	83.6	Confident	34 Å²	34	18.9 Å²	18.9	24%	0.238	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	30.2	-176.3	-55.8	0	0	0	0	113.2	L180 R181 Q182 S556 T558	L180-S184 PolarHBondContact O-N 3.17Å; R181-S184 WeakPolarHBondContact O-CA 3.42Å; R181-S184 PolarHBondContact O-N 2.93Å; Q182-S184 PolarHBondContact O-N 3.33Å; S184-S556 PolarHBondContact OG-OG 2.66Å; S184-T558 WeakPolarHBondContact OG-CB 3.36Å; S184-T558 WeakPolarHBondContact OG-CG2 3.28Å; S184-T558 PolarHBondContact OG-OG1 2.81Å
185	I	85	Confident	84.5	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.01	10%	0.099	C	C	.	.			trans	-91.5	119.5	170.4	-58.1	-172.2	0	0	0	107.7	P62 Y64 K65 V67 L180 H183 V320 L321	P62-I185 HydrophobicContact CB-CD1 4.18Å; P62-I185 HydrophobicContact CB-CG1 4.21Å; P62-I185 HydrophobicContact CG-CG1 4.25Å; Y64-I185 WeakPolarHBondContact O-CG1 3.27Å; K65-I185 WeakPolarHBondContact O-CA 2.8Å; V67-I185 HydrophobicContact CG2-CG2 3.74Å; L180-I185 HydrophobicContact CB-CB 4.18Å; L180-I185 HydrophobicContact CB-CG2 4.38Å; L180-I185 HydrophobicContact CD2-CD1 4.09Å; L180-I185 HydrophobicContact CD2-CG2 4.34Å; L180-I185 VanDerWaalsContact O-CB 3.32Å; L180-I185 WeakPolarHBondContact O-CB 3.47Å; L180-I185 PolarHBondContact O-N 2.82Å; H183-I185 HydrophobicContact CB-CD1 4.37Å; H183-I185 HydrophobicContact CB-CG1 4.13Å; H183-I185 PolarHBondContact O-N 3.48Å; I185-V320 HydrophobicContact CD1-CG1 3.65Å; I185-L321 HydrophobicContact CD1-CD2 3.46Å; I185-L321 VanDerWaalsContact CD1-CD2 3.46Å; I185-L321 HydrophobicContact CD1-CG 4.11Å
186	K	90.9	Very high	85.4	Confident	77 Å²	77	24.5 Å²	24.5	34%	0.335	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	153	176	-62.3	-178.4	-179.1	-175.6	0	110.2	K65 A66 V67 D212 L238	K65-K186 PolarHBondContact O-N 2.74Å; A66-K186 CarbonylContact C-O 3.57Å; A66-K186 WeakPolarHBondContact CA-O 3.38Å; A66-K186 HydrophobicContact CB-CB 4.43Å; V67-K186 PolarHBondContact N-O 3.29Å; K186-D212 VanDerWaalsContact CA-OD2 3.22Å; K186-D212 WeakPolarHBondContact CA-OD2 3.5Å; K186-D212 WeakPolarHBondContact CB-OD2 3.12Å; K186-L238 HydrophobicContact CB-CD1 4.01Å; K186-L238 HydrophobicContact CB-CD2 4.04Å; K186-L238 HydrophobicContact CB-CG 4.45Å; K186-L238 HydrophobicContact CD-CB 3.93Å; K186-L238 HydrophobicContact CD-CD2 3.94Å; K186-L238 HydrophobicContact CD-CG 4.41Å; K186-L238 WeakPolarHBondContact CD-O 3.48Å; K186-L238 PolarHBondContact NZ-O 2.99Å
187	T	95	Very high	86	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.9	-176.1	58.1	0	0	0	0	111.5	V67 F69 I177 L180 L210 D212 V213	V67-T187 CarbonylContact O-C 3.58Å; V67-T187 WeakPolarHBondContact O-CA 3.43Å; F69-T187 HydrophobicContact CE2-CG2 4.15Å; I177-T187 HydrophobicContact CG2-CG2 4.02Å; L180-T187 HydrophobicContact CB-CG2 4.19Å; L180-T187 HydrophobicContact CD1-CG2 4.12Å; T187-L210 PolarHBondContact OG1-O 3.34Å; T187-D212 PolarHBondContact N-OD2 3.18Å; T187-D212 WeakPolarHBondContact O-CA 3.01Å; T187-D212 WeakPolarHBondContact O-CB 3.43Å; T187-D212 PolarHBondContact O-N 3.37Å; T187-V213 PolarHBondContact O-N 3.09Å
188	A	97.8	Very high	86.6	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.9	178	0	0	0	0	0	111.6	V67 I68 F69 V213 I234 L238	V67-A188 PolarHBondContact O-N 2.95Å; I68-A188 CarbonylContact C-O 3.51Å; I68-A188 WeakPolarHBondContact CA-O 3.47Å; I68-A188 HydrophobicContact CG1-CB 4.39Å; F69-A188 PolarHBondContact N-O 2.83Å; A188-V213 CarbonylContact C-O 3.59Å; A188-V213 WeakPolarHBondContact CA-O 3.39Å; A188-V213 HydrophobicContact CB-CB 4.04Å; A188-V213 WeakPolarHBondContact CB-O 3.38Å; A188-I234 HydrophobicContact CB-CD1 4.4Å; A188-I234 HydrophobicContact CB-CG2 3.7Å; A188-L238 HydrophobicContact CB-CD1 4.31Å
189	I	97.9	Very high	87.5	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.3	167	-70.9	-75.2	0	0	0	108.9	F69 I75 T191 T198 L202 L211 V213 I214 V215	F69-I189 HydrophobicContact CB-CD1 3.76Å; F69-I189 WeakPolarHBondContact O-CA 3.47Å; I75-I189 HydrophobicContact CD1-CD1 3.68Å; I189-T191 HydrophobicContact CG2-CG2 3.94Å; I189-T198 HydrophobicContact CG2-CG2 4.3Å; I189-L202 HydrophobicContact CD1-CD2 4.49Å; I189-L202 HydrophobicContact CG1-CD1 4.4Å; I189-L202 HydrophobicContact CG1-CD2 4.34Å; I189-L211 HydrophobicContact CB-CD1 4.45Å; I189-L211 HydrophobicContact CD1-CD1 4.45Å; I189-L211 HydrophobicContact CG1-CD1 3.44Å; I189-L211 VanDerWaalsContact CG1-CD1 3.44Å; I189-L211 HydrophobicContact CG1-CD2 3.89Å; I189-L211 HydrophobicContact CG1-CG 4.29Å; I189-V213 PolarHBondContact N-O 3.38Å; I189-I214 HydrophobicContact CB-CG2 4.41Å; I189-I214 HydrophobicContact CG2-CG2 4.45Å; I189-V215 PolarHBondContact O-N 3.46Å
190	C	97.4	Very high	88.3	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	97.6	169.7	-173.7	0	0	0	0	109.4	I68 F69 K225 I234	I68-C190 HydrophobicContact CG2-CB 3.54Å; F69-C190 PolarHBondContact O-N 3.41Å; C190-K225 WeakPolarHBondContact O-CE 3.5Å; C190-K225 PolarHBondContact O-NZ 2.83Å; C190-I234 HydrophobicContact CB-CD1 3.96Å
191	T	95.9	Very high	88.8	Confident	7 Å²	7	28.5 Å²	28.5	4%	0.043	14%	0.137	C	C	.	.			trans	-120.1	154.6	-174.6	-179.7	0	0	0	0	111.6	I189 D193 T198 V215 C216 G217	I189-T191 HydrophobicContact CG2-CG2 3.94Å; T191-D193 HydrophobicContact CG2-CB 3.95Å; T191-D193 WeakPolarHBondContact OG1-CB 2.96Å; T191-D193 PolarHBondContact OG1-N 2.85Å; T191-D193 VanDerWaalsContact OG1-N 3.16Å; T191-T198 HydrophobicContact CG2-CG2 4.04Å; T191-T198 WeakPolarHBondContact CG2-OG1 3.32Å; T191-V215 PolarHBondContact N-O 3.48Å; T191-C216 CarbonylContact O-C 3.55Å; T191-G217 PolarHBondContact O-N 2.58Å; T191-G217 VanDerWaalsContact O-N 3.14Å
192	S	92.1	Very high	89.6	Confident	13 Å²	13	25.8 Å²	25.8	9%	0.091	13%	0.127	C	C	.	.	S	Bend	trans	-80.1	-7.2	170.8	-62.2	0	0	0	0	112.8
193	D	92	Very high	90.5	Very high	21 Å²	21	28.2 Å²	28.2	11%	0.112	15%	0.148	C	C	.	.	S	Bend	trans	-70.3	164.6	-179.8	-83.8	11.8	0	0	0	113.9	K71 W82 T191 C216 G217	K71-D193 WeakPolarHBondContact CE-OD2 3.49Å; K71-D193 IonicContact NZ-OD2 2.73Å; K71-D193 PolarHBondContact NZ-OD2 2.91Å; W82-D193 VanDerWaalsContact CZ2-OD1 3.28Å; W82-D193 WeakPolarHBondContact CZ2-OD1 3.24Å; W82-D193 VanDerWaalsContact CZ2-OD2 3.3Å; W82-D193 WeakPolarHBondContact CZ2-OD2 3.27Å; T191-D193 HydrophobicContact CG2-CB 3.95Å; T191-D193 WeakPolarHBondContact OG1-CB 2.96Å; T191-D193 PolarHBondContact OG1-N 2.85Å; T191-D193 VanDerWaalsContact OG1-N 3.16Å; D193-C216 CarbonylContact O-C 3.51Å; D193-C216 WeakPolarHBondContact O-CB 3.38Å; D193-G217 PolarHBondContact O-N 3.37Å
194	S	90.3	Very high	91.2	Very high	29 Å²	29	30.9 Å²	30.9	20%	0.203	17%	0.165	C	C	.	.			trans	-68	148.3	169.5	70.2	0	0	0	0	112.1	K196 G197 T198 D218	S194-K196 VanDerWaalsContact C-N 3.3Å; S194-K196 PolarHBondContact O-N 3.47Å; S194-G197 PolarHBondContact O-N 3.39Å; S194-G197 PolarHBondContact OG-N 3.01Å; S194-T198 WeakPolarHBondContact O-CB 3.12Å; S194-T198 PolarHBondContact O-N 2.77Å; S194-T198 PolarHBondContact O-OG1 2.94Å; S194-D218 WeakPolarHBondContact CA-OD1 3.38Å; S194-D218 WeakPolarHBondContact CB-OD2 3.2Å
195	R	93.2	Very high	91.6	Very high	79 Å²	79	30.4 Å²	30.4	30%	0.298	16%	0.159	S	C	.	.	H	α-helix	trans	-59.8	-41.7	176.9	179.4	163.9	-70.1	-76.9	-2.3	112.2	G197 T198 I199 I214 C216 D218 D219	R195-G197 PolarHBondContact O-N 2.67Å; R195-T198 PolarHBondContact O-N 3.29Å; R195-I199 HydrophobicContact CG-CG1 4.19Å; R195-I199 WeakPolarHBondContact O-CB 3.46Å; R195-I199 VanDerWaalsContact O-CG1 3.25Å; R195-I199 WeakPolarHBondContact O-CG1 3.5Å; R195-I199 PolarHBondContact O-N 3.03Å; R195-I214 PolarHBondContact NH2-O 2.82Å; R195-C216 WeakPolarHBondContact CA-SG 3.32Å; R195-C216 HydrophobicContact CB-CB 3.9Å; R195-D218 VanDerWaalsContact N-CG 3.35Å; R195-D218 PolarHBondContact N-OD1 3.09Å; R195-D218 PolarHBondContact N-OD2 2.9Å; R195-D218 VanDerWaalsContact N-OD2 3.16Å; R195-D219 IonicContact CZ-OD1 2.89Å; R195-D219 VanDerWaalsContact CZ-OD1 3.24Å; R195-D219 IonicContact CZ-OD2 2.78Å; R195-D219 IonicContact NE-OD1 3.79Å; R195-D219 PolarHBondContact NE-OD1 3.04Å; R195-D219 IonicContact NH2-OD1 3.78Å; R195-D219 PolarHBondContact NH2-OD1 2.66Å; R195-D219 IonicContact NH2-OD2 3.24Å; R195-D219 PolarHBondContact NH2-OD2 3.43Å
196	K	90.2	Very high	91.4	Very high	141 Å²	141	33.4 Å²	33.4	61%	0.613	18%	0.176	S	C	*	.	H	α-helix	trans	-59.3	-49.8	179.1	-175.4	-175.7	173.4	-168.6	0	111.2	S194 Q200	S194-K196 VanDerWaalsContact C-N 3.3Å; S194-K196 PolarHBondContact O-N 3.47Å; K196-Q200 PolarHBondContact O-N 2.84Å
197	G	90.2	Very high	91.1	Very high	10 Å²	10	29.8 Å²	29.8	10%	0.103	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-41.5	178.7	0	0	0	0	0	112.3	S194 R195 Q200 A201	S194-G197 PolarHBondContact O-N 3.39Å; S194-G197 PolarHBondContact OG-N 3.01Å; R195-G197 PolarHBondContact O-N 2.67Å; G197-Q200 PolarHBondContact O-N 3.02Å; G197-A201 PolarHBondContact O-N 3.35Å
198	T	94	Very high	90.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-48.7	178.5	-62	0	0	0	0	112.2	K71 I189 T191 S194 R195 Q200 A201 L202 I214	K71-T198 HydrophobicContact CD-CG2 4.31Å; I189-T198 HydrophobicContact CG2-CG2 4.3Å; T191-T198 HydrophobicContact CG2-CG2 4.04Å; T191-T198 WeakPolarHBondContact CG2-OG1 3.32Å; S194-T198 WeakPolarHBondContact O-CB 3.12Å; S194-T198 PolarHBondContact O-N 2.77Å; S194-T198 PolarHBondContact O-OG1 2.94Å; R195-T198 PolarHBondContact O-N 3.29Å; T198-Q200 VanDerWaalsContact C-N 3.32Å; T198-Q200 PolarHBondContact O-N 3.46Å; T198-A201 PolarHBondContact O-N 3.27Å; T198-L202 HydrophobicContact CG2-CD1 3.67Å; T198-L202 HydrophobicContact CG2-CG 4.31Å; T198-L202 WeakPolarHBondContact O-CB 3.43Å; T198-L202 WeakPolarHBondContact O-CG 3.39Å; T198-L202 PolarHBondContact O-N 2.97Å; T198-I214 HydrophobicContact CG2-CG2 3.94Å
199	I	92.9	Very high	89.6	Confident	60 Å²	60	34.4 Å²	34.4	31%	0.308	18%	0.183	S	C	.	.	H	α-helix	trans	-62.7	-40.4	178.8	-66	-64.4	0	0	0	111.2	R195 L202 A203 L208 I214	R195-I199 HydrophobicContact CG-CG1 4.19Å; R195-I199 WeakPolarHBondContact O-CB 3.46Å; R195-I199 VanDerWaalsContact O-CG1 3.25Å; R195-I199 WeakPolarHBondContact O-CG1 3.5Å; R195-I199 PolarHBondContact O-N 3.03Å; I199-L202 PolarHBondContact O-N 3.49Å; I199-A203 WeakPolarHBondContact O-CB 3.36Å; I199-A203 PolarHBondContact O-N 3.32Å; I199-L208 HydrophobicContact CD1-CD1 3.61Å; I199-L208 HydrophobicContact CG2-CD2 4.12Å; I199-I214 HydrophobicContact CD1-CD1 3.91Å
200	Q	89.5	Confident	88.8	Confident	58 Å²	58	35.1 Å²	35.1	27%	0.271	19%	0.186	S	C	.	.	H	α-helix	trans	-61.5	-46.8	176.4	-171.3	-177.4	-2.6	0	0	111.5	L162 K196 G197 T198 A203 V204	L162-Q200 PolarHBondContact O-NE2 2.93Å; K196-Q200 PolarHBondContact O-N 2.84Å; G197-Q200 PolarHBondContact O-N 3.02Å; T198-Q200 VanDerWaalsContact C-N 3.32Å; T198-Q200 PolarHBondContact O-N 3.46Å; Q200-A203 PolarHBondContact O-N 3.4Å; Q200-V204 WeakPolarHBondContact O-CG2 3.34Å; Q200-V204 PolarHBondContact O-N 3.49Å; Q200-V204 VanDerWaalsContact O-N 3.13Å
201	A	90.8	Very high	88.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-46.5	178.7	0	0	0	0	0	112.3	K71 I167 G197 T198 A203 V204 L205	K71-A201 HydrophobicContact CD-CB 4.32Å; I167-A201 HydrophobicContact CD1-CB 4.13Å; I167-A201 HydrophobicContact CG1-CB 4.32Å; I167-A201 HydrophobicContact CG2-CB 4.26Å; G197-A201 PolarHBondContact O-N 3.35Å; T198-A201 PolarHBondContact O-N 3.27Å; A201-A203 VanDerWaalsContact C-N 3.27Å; A201-A203 PolarHBondContact O-N 3.09Å; A201-V204 PolarHBondContact O-N 3.2Å; A201-L205 WeakPolarHBondContact O-CG 3.46Å; A201-L205 PolarHBondContact O-N 3.25Å
202	L	92.9	Very high	88.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-27.3	-179.7	-65.2	171.4	0	0	0	113.3	I75 I189 T198 I199 D206 V207 L208 L211 I214	I75-L202 HydrophobicContact CD1-CD2 3.91Å; I189-L202 HydrophobicContact CD1-CD2 4.49Å; I189-L202 HydrophobicContact CG1-CD1 4.4Å; I189-L202 HydrophobicContact CG1-CD2 4.34Å; T198-L202 HydrophobicContact CG2-CD1 3.67Å; T198-L202 HydrophobicContact CG2-CG 4.31Å; T198-L202 WeakPolarHBondContact O-CB 3.43Å; T198-L202 WeakPolarHBondContact O-CG 3.39Å; T198-L202 PolarHBondContact O-N 2.97Å; I199-L202 PolarHBondContact O-N 3.49Å; L202-D206 PolarHBondContact O-N 3.04Å; L202-V207 HydrophobicContact CD2-CG2 3.86Å; L202-V207 PolarHBondContact O-N 2.74Å; L202-V207 VanDerWaalsContact O-N 3.09Å; L202-L208 HydrophobicContact CB-CB 4.04Å; L202-L208 HydrophobicContact CB-CD1 4.06Å; L202-L208 HydrophobicContact CD1-CD1 4.14Å; L202-L208 PolarHBondContact O-N 3.35Å; L202-L208 VanDerWaalsContact O-N 3.14Å; L202-L211 HydrophobicContact CD1-CD1 3.58Å; L202-L211 HydrophobicContact CD2-CD1 3.72Å; L202-L211 HydrophobicContact CG-CD1 4.2Å; L202-I214 HydrophobicContact CD1-CD1 3.75Å; L202-I214 HydrophobicContact CD1-CG1 4.35Å
203	A	86.8	Confident	88.2	Confident	55 Å²	55	35.7 Å²	35.7	46%	0.455	19%	0.188	S	C	.	.	H	α-helix	trans	-72.2	-42.4	172.8	0	0	0	0	0	111.8	I199 Q200 A201 L205 D206	I199-A203 WeakPolarHBondContact O-CB 3.36Å; I199-A203 PolarHBondContact O-N 3.32Å; Q200-A203 PolarHBondContact O-N 3.4Å; A201-A203 VanDerWaalsContact C-N 3.27Å; A201-A203 PolarHBondContact O-N 3.09Å; A203-L205 VanDerWaalsContact C-N 3.32Å; A203-L205 PolarHBondContact O-N 2.93Å; A203-D206 PolarHBondContact O-N 2.67Å
204	V	85.4	Confident	88.4	Confident	63 Å²	63	35.4 Å²	35.4	38%	0.382	19%	0.187	S	C	.	.	H	α-helix	trans	-63.3	-39.4	175.5	171.6	0	0	0	0	111.5	P164 I167 Q200 A201 D206	P164-V204 HydrophobicContact CB-CG1 4.27Å; P164-V204 HydrophobicContact CB-CG2 4.04Å; P164-V204 HydrophobicContact CG-CG2 4.32Å; I167-V204 HydrophobicContact CB-CB 4.5Å; I167-V204 HydrophobicContact CB-CG1 4.07Å; I167-V204 HydrophobicContact CD1-CB 4Å; I167-V204 HydrophobicContact CD1-CG1 4.28Å; I167-V204 HydrophobicContact CD1-CG2 3.85Å; I167-V204 HydrophobicContact CG2-CB 4.29Å; I167-V204 HydrophobicContact CG2-CG1 4.12Å; Q200-V204 WeakPolarHBondContact O-CG2 3.34Å; Q200-V204 PolarHBondContact O-N 3.49Å; Q200-V204 VanDerWaalsContact O-N 3.13Å; A201-V204 PolarHBondContact O-N 3.2Å; V204-D206 PolarHBondContact O-N 3.17Å
205	L	82.4	Confident	88.7	Confident	23 Å²	23	34 Å²	34	12%	0.12	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.2	174.4	-67.9	-173.7	0	0	0	114	I75 V76 I167 P169 A201 A203 V207	I75-L205 HydrophobicContact CD1-CD1 4.3Å; V76-L205 HydrophobicContact CG2-CD1 3.73Å; I167-L205 HydrophobicContact CG2-CD2 3.83Å; I167-L205 HydrophobicContact CG2-CG 3.89Å; P169-L205 HydrophobicContact CB-CD2 3.81Å; P169-L205 HydrophobicContact CG-CD2 4.14Å; A201-L205 WeakPolarHBondContact O-CG 3.46Å; A201-L205 PolarHBondContact O-N 3.25Å; A203-L205 VanDerWaalsContact C-N 3.32Å; A203-L205 PolarHBondContact O-N 2.93Å; L205-V207 VanDerWaalsContact C-N 3.27Å; L205-V207 HydrophobicContact CB-CG1 4.39Å; L205-V207 HydrophobicContact CB-CG2 3.87Å; L205-V207 HydrophobicContact CD1-CG2 4.4Å; L205-V207 WeakPolarHBondContact O-CG1 3.44Å; L205-V207 PolarHBondContact O-N 3.11Å
206	D	82	Confident	88.8	Confident	66 Å²	66	30.4 Å²	30.4	35%	0.353	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	43.6	-173	-170	32.8	0	0	0	113.3	K174 L202 A203 V204 H209	K174-D206 WeakPolarHBondContact CE-OD2 3.26Å; K174-D206 IonicContact NZ-OD2 2.84Å; K174-D206 PolarHBondContact NZ-OD2 3.22Å; L202-D206 PolarHBondContact O-N 3.04Å; A203-D206 PolarHBondContact O-N 2.67Å; V204-D206 PolarHBondContact O-N 3.17Å; D206-H209 PolarHBondContact O-CE1 2.89Å; D206-H209 IonicContact OD1-CE1 3.31Å; D206-H209 PolarHBondContact OD1-CE1 2.86Å; D206-H209 IonicContact OD1-ND1 3.14Å; D206-H209 PolarHBondContact OD1-ND1 3.41Å; D206-H209 IonicContact OD2-CE1 2.81Å
207	V	84.3	Confident	88.8	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.145	C	C	.	.			trans	-125.4	-3.6	177.5	-58	0	0	0	0	113.7	I173 K174 I177 L202 L205 H209 L210 L211	I173-V207 HydrophobicContact CB-CG1 4.48Å; I173-V207 HydrophobicContact CG2-CG1 4.16Å; K174-V207 HydrophobicContact CB-CG1 3.97Å; K174-V207 HydrophobicContact CG-CG1 4.45Å; I177-V207 HydrophobicContact CD1-CB 4.21Å; I177-V207 HydrophobicContact CD1-CG1 4.46Å; I177-V207 HydrophobicContact CD1-CG2 4.48Å; L202-V207 HydrophobicContact CD2-CG2 3.86Å; L202-V207 PolarHBondContact O-N 2.74Å; L202-V207 VanDerWaalsContact O-N 3.09Å; L205-V207 VanDerWaalsContact C-N 3.27Å; L205-V207 HydrophobicContact CB-CG1 4.39Å; L205-V207 HydrophobicContact CB-CG2 3.87Å; L205-V207 HydrophobicContact CD1-CG2 4.4Å; L205-V207 WeakPolarHBondContact O-CG1 3.44Å; L205-V207 PolarHBondContact O-N 3.11Å; V207-H209 PolarHBondContact O-N 3.03Å; V207-L210 HydrophobicContact CB-CD1 4.39Å; V207-L210 HydrophobicContact CG1-CD1 4.26Å; V207-L210 WeakPolarHBondContact O-CA 3.25Å; V207-L210 WeakPolarHBondContact O-CB 3.35Å; V207-L210 PolarHBondContact O-N 3.45Å; V207-L211 PolarHBondContact O-N 2.93Å
208	L	85.2	Confident	88.9	Confident	53 Å²	53	28 Å²	28	28%	0.277	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-53	-42	176.5	-176.8	63.8	0	0	0	111.6	I199 L202 L210 L211 I214	I199-L208 HydrophobicContact CD1-CD1 3.61Å; I199-L208 HydrophobicContact CG2-CD2 4.12Å; L202-L208 HydrophobicContact CB-CB 4.04Å; L202-L208 HydrophobicContact CB-CD1 4.06Å; L202-L208 HydrophobicContact CD1-CD1 4.14Å; L202-L208 PolarHBondContact O-N 3.35Å; L202-L208 VanDerWaalsContact O-N 3.14Å; L208-L210 PolarHBondContact O-N 3.24Å; L208-L211 PolarHBondContact O-N 3.3Å; L208-I214 HydrophobicContact CD1-CD1 3.44Å; L208-I214 VanDerWaalsContact CD1-CD1 3.44Å
209	H	76.6	Confident	88.8	Confident	45 Å²	45	28.9 Å²	28.9	21%	0.208	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-74.3	0.3	176.9	73.3	-89	0	0	0	113.9	D206 V207 K400	D206-H209 PolarHBondContact O-CE1 2.89Å; D206-H209 IonicContact OD1-CE1 3.31Å; D206-H209 PolarHBondContact OD1-CE1 2.86Å; D206-H209 IonicContact OD1-ND1 3.14Å; D206-H209 PolarHBondContact OD1-ND1 3.41Å; D206-H209 IonicContact OD2-CE1 2.81Å; V207-H209 PolarHBondContact O-N 3.03Å; H209-K400 WeakPolarHBondContact O-CD 3.32Å; H209-K400 WeakPolarHBondContact O-CE 3.38Å; H209-K400 PolarHBondContact O-NZ 3.37Å
210	L	80.4	Confident	88.7	Confident	14 Å²	14	31.3 Å²	31.3	7%	0.073	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-106.5	-11	175.7	-58.4	178.9	0	0	0	113.1	K174 I177 R181 T187 V207 L208 K400	K174-L210 HydrophobicContact CG-CD1 3.92Å; I177-L210 HydrophobicContact CB-CB 4.37Å; I177-L210 HydrophobicContact CB-CD1 4.32Å; I177-L210 HydrophobicContact CG2-CB 3.49Å; I177-L210 VanDerWaalsContact CG2-CB 3.49Å; I177-L210 HydrophobicContact CG2-CD1 4.27Å; I177-L210 HydrophobicContact CG2-CG 4.5Å; R181-L210 WeakPolarHBondContact CD-O 3.4Å; R181-L210 PolarHBondContact NH1-O 3.05Å; T187-L210 PolarHBondContact OG1-O 3.34Å; V207-L210 HydrophobicContact CB-CD1 4.39Å; V207-L210 HydrophobicContact CG1-CD1 4.26Å; V207-L210 WeakPolarHBondContact O-CA 3.25Å; V207-L210 WeakPolarHBondContact O-CB 3.35Å; V207-L210 PolarHBondContact O-N 3.45Å; L208-L210 PolarHBondContact O-N 3.24Å; L210-K400 PolarHBondContact O-NZ 3.42Å
211	L	90.1	Very high	88.7	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	21%	0.21	C	C	.	.			trans	-91.9	140.5	177.2	-63.2	168.2	0	0	0	114.1	I177 I189 L202 V207 L208 I214 T398 K400	I177-L211 HydrophobicContact CD1-CD2 4.19Å; I189-L211 HydrophobicContact CB-CD1 4.45Å; I189-L211 HydrophobicContact CD1-CD1 4.45Å; I189-L211 HydrophobicContact CG1-CD1 3.44Å; I189-L211 VanDerWaalsContact CG1-CD1 3.44Å; I189-L211 HydrophobicContact CG1-CD2 3.89Å; I189-L211 HydrophobicContact CG1-CG 4.29Å; L202-L211 HydrophobicContact CD1-CD1 3.58Å; L202-L211 HydrophobicContact CD2-CD1 3.72Å; L202-L211 HydrophobicContact CG-CD1 4.2Å; V207-L211 PolarHBondContact O-N 2.93Å; L208-L211 PolarHBondContact O-N 3.3Å; L211-I214 HydrophobicContact CB-CG1 4.3Å; L211-I214 HydrophobicContact CD1-CD1 4.21Å; L211-I214 HydrophobicContact CD1-CG1 4.19Å; L211-T398 WeakPolarHBondContact O-CG2 3.32Å; L211-K400 VanDerWaalsContact C-NZ 3.26Å; L211-K400 WeakPolarHBondContact O-CE 3.3Å; L211-K400 PolarHBondContact O-NZ 3.48Å
212	D	89	Confident	88.6	Confident	30 Å²	30	35.8 Å²	35.8	16%	0.16	22%	0.223	C	C	.	.	S	Bend	trans	-100.5	-22.1	-176	-53.7	-55.6	0	0	0	113.7	R181 K186 T187 L238 T398 K400	R181-D212 IonicContact CZ-OD1 2.78Å; R181-D212 IonicContact NH1-OD1 2.94Å; R181-D212 PolarHBondContact NH1-OD1 3.11Å; R181-D212 IonicContact NH1-OD2 2.95Å; K186-D212 VanDerWaalsContact CA-OD2 3.22Å; K186-D212 WeakPolarHBondContact CA-OD2 3.5Å; K186-D212 WeakPolarHBondContact CB-OD2 3.12Å; T187-D212 PolarHBondContact N-OD2 3.18Å; T187-D212 WeakPolarHBondContact O-CA 3.01Å; T187-D212 WeakPolarHBondContact O-CB 3.43Å; T187-D212 PolarHBondContact O-N 3.37Å; D212-L238 HydrophobicContact CB-CD2 3.58Å; D212-T398 VanDerWaalsContact CA-CG2 3.49Å; D212-T398 WeakPolarHBondContact O-CG2 3.35Å; D212-K400 IonicContact OD1-NZ 3.07Å
213	V	94.6	Very high	88.5	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	142.6	170	174.1	0	0	0	0	109.2	T187 A188 I189 V215 F233 I234 K237 L238	T187-V213 PolarHBondContact O-N 3.09Å; A188-V213 CarbonylContact C-O 3.59Å; A188-V213 WeakPolarHBondContact CA-O 3.39Å; A188-V213 HydrophobicContact CB-CB 4.04Å; A188-V213 WeakPolarHBondContact CB-O 3.38Å; I189-V213 PolarHBondContact N-O 3.38Å; V213-V215 HydrophobicContact CG1-CG2 4.04Å; V213-F233 HydrophobicContact CG1-CE1 4.03Å; V213-I234 HydrophobicContact CG1-CG1 3.89Å; V213-K237 HydrophobicContact CG2-CB 3.73Å; V213-L238 HydrophobicContact CB-CD2 4.42Å; V213-L238 HydrophobicContact CG2-CD2 3.59Å; V213-L238 HydrophobicContact CG2-CG 3.97Å
214	I	96.1	Very high	88.7	Confident	15 Å²	15	37.7 Å²	37.7	8%	0.077	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123	174.1	-60.8	169.3	0	0	0	108.2	I189 R195 T198 I199 L202 L208 L211	I189-I214 HydrophobicContact CB-CG2 4.41Å; I189-I214 HydrophobicContact CG2-CG2 4.45Å; R195-I214 PolarHBondContact NH2-O 2.82Å; T198-I214 HydrophobicContact CG2-CG2 3.94Å; I199-I214 HydrophobicContact CD1-CD1 3.91Å; L202-I214 HydrophobicContact CD1-CD1 3.75Å; L202-I214 HydrophobicContact CD1-CG1 4.35Å; L208-I214 HydrophobicContact CD1-CD1 3.44Å; L208-I214 VanDerWaalsContact CD1-CD1 3.44Å; L211-I214 HydrophobicContact CB-CG1 4.3Å; L211-I214 HydrophobicContact CD1-CD1 4.21Å; L211-I214 HydrophobicContact CD1-CG1 4.19Å
215	V	96.3	Very high	89.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.8	174.6	-177.6	0	0	0	0	109.3	I189 T191 V213 D219 N230 F233 I234	I189-V215 PolarHBondContact O-N 3.46Å; T191-V215 PolarHBondContact N-O 3.48Å; V213-V215 HydrophobicContact CG1-CG2 4.04Å; V215-D219 WeakPolarHBondContact CA-OD2 3.44Å; V215-N230 HydrophobicContact CG1-CB 4.12Å; V215-F233 HydrophobicContact CG2-CD1 3.74Å; V215-F233 HydrophobicContact CG2-CE1 3.87Å; V215-I234 HydrophobicContact CB-CD1 4.5Å; V215-I234 HydrophobicContact CG2-CD1 3.89Å; V215-I234 HydrophobicContact CG2-CG1 3.74Å
216	C	95.3	Very high	89.6	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.014	23%	0.225	C	C	.	.			trans	-122	159.1	-175	-59.1	0	0	0	0	110.4	T191 D193 R195 D218 D219	T191-C216 CarbonylContact O-C 3.55Å; D193-C216 CarbonylContact O-C 3.51Å; D193-C216 WeakPolarHBondContact O-CB 3.38Å; R195-C216 WeakPolarHBondContact CA-SG 3.32Å; R195-C216 HydrophobicContact CB-CB 3.9Å; C216-D218 WeakPolarHBondContact CB-OD1 3.47Å; C216-D218 PolarHBondContact O-N 2.79Å; C216-D219 PolarHBondContact N-OD2 2.93Å; C216-D219 WeakPolarHBondContact O-CB 3.47Å; C216-D219 PolarHBondContact O-N 2.98Å
217	G	90.9	Very high	90.2	Very high	21 Å²	21	37.6 Å²	37.6	22%	0.216	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.2	-176.4	0	0	0	0	0	114.6	T191 D193	T191-G217 PolarHBondContact O-N 2.58Å; T191-G217 VanDerWaalsContact O-N 3.14Å; D193-G217 PolarHBondContact O-N 3.37Å
218	D	90.6	Very high	90.7	Very high	80 Å²	80	38.8 Å²	38.8	43%	0.428	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	7.2	175.9	63.8	-21.2	0	0	0	113.3	S194 R195 C216 P220	S194-D218 WeakPolarHBondContact CA-OD1 3.38Å; S194-D218 WeakPolarHBondContact CB-OD2 3.2Å; R195-D218 VanDerWaalsContact N-CG 3.35Å; R195-D218 PolarHBondContact N-OD1 3.09Å; R195-D218 PolarHBondContact N-OD2 2.9Å; R195-D218 VanDerWaalsContact N-OD2 3.16Å; C216-D218 WeakPolarHBondContact CB-OD1 3.47Å; C216-D218 PolarHBondContact O-N 2.79Å; D218-P220 WeakPolarHBondContact O-CD 3.5Å
219	D	93	Very high	91.2	Very high	18 Å²	18	38.9 Å²	38.9	10%	0.096	24%	0.236	C	C	.	.			trans	-67.7	124.7	176.5	-75.9	-25.4	0	0	0	111.1	R195 V215 C216 G221 R222	R195-D219 IonicContact CZ-OD1 2.89Å; R195-D219 VanDerWaalsContact CZ-OD1 3.24Å; R195-D219 IonicContact CZ-OD2 2.78Å; R195-D219 IonicContact NE-OD1 3.79Å; R195-D219 PolarHBondContact NE-OD1 3.04Å; R195-D219 IonicContact NH2-OD1 3.78Å; R195-D219 PolarHBondContact NH2-OD1 2.66Å; R195-D219 IonicContact NH2-OD2 3.24Å; R195-D219 PolarHBondContact NH2-OD2 3.43Å; V215-D219 WeakPolarHBondContact CA-OD2 3.44Å; C216-D219 PolarHBondContact N-OD2 2.93Å; C216-D219 WeakPolarHBondContact O-CB 3.47Å; C216-D219 PolarHBondContact O-N 2.98Å; D219-G221 PolarHBondContact O-N 3.21Å; D219-R222 HydrophobicContact CB-CB 4.38Å; D219-R222 HydrophobicContact CB-CG 4.5Å; D219-R222 PolarHBondContact O-N 3.21Å
220	P	90.3	Very high	92.1	Very high	112 Å²	112	37 Å²	37	73%	0.727	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	137.5	-177.1	-25.5	33.9	0	0	0	113.2	D218 R222	D218-P220 WeakPolarHBondContact O-CD 3.5Å; P220-R222 VanDerWaalsContact C-N 3.26Å; P220-R222 PolarHBondContact O-N 3.44Å; P220-R222 PolarHBondContact O-NH1 2.58Å
221	G	89	Confident	92.9	Very high	79 Å²	79	36.4 Å²	36.4	81%	0.814	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.3	11.5	173.4	0	0	0	0	0	115.2	D219	D219-G221 PolarHBondContact O-N 3.21Å
222	R	88.6	Confident	93.1	Very high	72 Å²	72	41.6 Å²	41.6	27%	0.272	25%	0.247	S	C	.	.			trans	-113.5	110.6	-177.6	-76.2	-175.5	-175.3	76.6	-1.5	111.6	D219 P220 N230	D219-R222 HydrophobicContact CB-CB 4.38Å; D219-R222 HydrophobicContact CB-CG 4.5Å; D219-R222 PolarHBondContact O-N 3.21Å; P220-R222 VanDerWaalsContact C-N 3.26Å; P220-R222 PolarHBondContact O-N 3.44Å; P220-R222 PolarHBondContact O-NH1 2.58Å; R222-N230 WeakPolarHBondContact CB-OD1 3.48Å; R222-N230 WeakPolarHBondContact CD-OD1 3.41Å
223	P	91.8	Very high	93.4	Very high	49 Å²	49	41.8 Å²	41.8	32%	0.318	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-62.6	133.3	172.5	-20.4	32.2	0	0	0	111.1	H227 D229 N230	P223-H227 HydrophobicContact CB-CB 3.86Å; P223-D229 HydrophobicContact CG-CB 4.45Å; P223-N230 PolarHBondContact O-ND2 2.81Å
224	P	90.7	Very high	93.5	Very high	47 Å²	47	41.7 Å²	41.7	31%	0.305	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-72.3	168.7	-177.1	30.1	-36	0	0	0	112.7	T127 H227	T127-P224 HydrophobicContact CG2-CB 3.95Å; T127-P224 HydrophobicContact CG2-CG 4.16Å; P224-H227 WeakPolarHBondContact O-CB 3.48Å; P224-H227 PolarHBondContact O-N 3.03Å
225	K	93.9	Very high	93.5	Very high	14 Å²	14	41.2 Å²	41.2	6%	0.061	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	140.4	170.7	-57.6	-178.3	-68.8	-171.3	0	109.1	D70 C190 T253 D254 F257	D70-K225 IonicContact OD1-NZ 2.77Å; D70-K225 PolarHBondContact OD1-NZ 2.94Å; C190-K225 WeakPolarHBondContact O-CE 3.5Å; C190-K225 PolarHBondContact O-NZ 2.83Å; K225-T253 VanDerWaalsContact C-CG2 3.48Å; K225-T253 HydrophobicContact CB-CG2 3.54Å; K225-T253 WeakPolarHBondContact O-CG2 3.15Å; K225-D254 WeakPolarHBondContact CE-OD1 3.26Å; K225-D254 IonicContact NZ-OD1 2.69Å; K225-D254 PolarHBondContact NZ-OD1 3.41Å; K225-F257 HydrophobicContact CB-CB 4.18Å; K225-F257 HydrophobicContact CB-CD2 4.33Å; K225-F257 HydrophobicContact CB-CG 4.36Å; K225-F257 HydrophobicContact CD-CB 4.32Å; K225-F257 HydrophobicContact CD-CD1 4.15Å; K225-F257 HydrophobicContact CD-CG 4.1Å; K225-F257 HydrophobicContact CG-CB 4.16Å; K225-F257 HydrophobicContact CG-CD1 4.31Å; K225-F257 HydrophobicContact CG-CD2 3.83Å; K225-F257 HydrophobicContact CG-CE2 4.22Å; K225-F257 HydrophobicContact CG-CG 3.85Å
226	P	93.6	Very high	93.4	Very high	48 Å²	48	47.8 Å²	47.8	31%	0.312	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.9	14.2	13	38.1	-36.7	0	0	0	114.5	T253 A256 N260	P226-T253 HydrophobicContact CB-CG2 4.25Å; P226-A256 HydrophobicContact CB-CB 3.59Å; P226-A256 HydrophobicContact CG-CB 4.44Å; P226-N260 PolarHBondContact O-ND2 2.81Å
227	H	93.9	Very high	93.2	Very high	88 Å²	88	52.3 Å²	52.3	41%	0.407	29%	0.294	S	S	.	.	S	Bend	trans	-65.3	136.3	178.6	-166.8	-89.5	0	0	0	110.7	P223 P224 D229 F257	P223-H227 HydrophobicContact CB-CB 3.86Å; P224-H227 WeakPolarHBondContact O-CB 3.48Å; P224-H227 PolarHBondContact O-N 3.03Å; H227-D229 VanDerWaalsContact ND1-CB 3.25Å; H227-D229 WeakPolarHBondContact ND1-CB 3.49Å; H227-D229 PolarHBondContact ND1-N 2.87Å; H227-D229 PolarHBondContact O-N 3.34Å; H227-F257 VanDerWaalsContact O-CD2 3.31Å; H227-F257 WeakPolarHBondContact O-CD2 3.29Å; H227-F257 WeakPolarHBondContact O-CE2 3.35Å
228	P	95.3	Very high	93.2	Very high	24 Å²	24	51.6 Å²	51.6	16%	0.156	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-4.5	-170.4	31	-37.5	0	0	0	114.8	N230 A231 K232 N260 A261	P228-N230 PolarHBondContact O-N 3Å; P228-A231 WeakPolarHBondContact O-CB 3.26Å; P228-A231 PolarHBondContact O-N 3.21Å; P228-A231 VanDerWaalsContact O-N 3.1Å; P228-K232 PolarHBondContact O-N 3.05Å; P228-N260 HydrophobicContact CB-CB 4.15Å; P228-N260 HydrophobicContact CG-CB 4.37Å; P228-A261 HydrophobicContact CB-CB 3.85Å
229	D	95.1	Very high	93.2	Very high	56 Å²	56	54.5 Å²	54.5	30%	0.299	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-42	-171.6	-162.7	61	0	0	0	112.9	P223 H227 A231 K232 F233	P223-D229 HydrophobicContact CG-CB 4.45Å; H227-D229 VanDerWaalsContact ND1-CB 3.25Å; H227-D229 WeakPolarHBondContact ND1-CB 3.49Å; H227-D229 PolarHBondContact ND1-N 2.87Å; H227-D229 PolarHBondContact O-N 3.34Å; D229-A231 VanDerWaalsContact C-N 3.26Å; D229-A231 PolarHBondContact O-N 2.92Å; D229-K232 WeakPolarHBondContact O-CB 3.4Å; D229-K232 PolarHBondContact O-N 3.3Å; D229-K232 VanDerWaalsContact O-N 3.11Å; D229-F233 PolarHBondContact O-N 3.47Å
230	N	96.2	Very high	93.1	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.027	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-34.1	176.2	-73.1	-17.8	0	0	0	112.6	V215 R222 P223 P228 I234 F257	V215-N230 HydrophobicContact CG1-CB 4.12Å; R222-N230 WeakPolarHBondContact CB-OD1 3.48Å; R222-N230 WeakPolarHBondContact CD-OD1 3.41Å; P223-N230 PolarHBondContact O-ND2 2.81Å; P228-N230 PolarHBondContact O-N 3Å; N230-I234 WeakPolarHBondContact O-CB 3.48Å; N230-I234 WeakPolarHBondContact O-CD1 3.47Å; N230-I234 WeakPolarHBondContact O-CG1 3.31Å; N230-I234 PolarHBondContact O-N 3.32Å; N230-F257 HydrophobicContact CB-CE2 4.03Å; N230-F257 HydrophobicContact CB-CZ 4.2Å
231	A	96.5	Very high	93.3	Very high	1 Å²	1	51 Å²	51	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-42	175.2	0	0	0	0	0	111.5	P228 D229 I234 C235 F257 A261 L263	P228-A231 WeakPolarHBondContact O-CB 3.26Å; P228-A231 PolarHBondContact O-N 3.21Å; P228-A231 VanDerWaalsContact O-N 3.1Å; D229-A231 VanDerWaalsContact C-N 3.26Å; D229-A231 PolarHBondContact O-N 2.92Å; A231-I234 PolarHBondContact O-N 3.49Å; A231-C235 WeakPolarHBondContact O-CB 3.47Å; A231-C235 PolarHBondContact O-N 3.11Å; A231-C235 PolarHBondContact O-SG 3.5Å; A231-F257 HydrophobicContact CB-CE1 4.21Å; A231-F257 HydrophobicContact CB-CE2 3.81Å; A231-F257 HydrophobicContact CB-CZ 3.5Å; A231-F257 VanDerWaalsContact CB-CZ 3.5Å; A231-A261 HydrophobicContact CB-CB 3.32Å; A231-L263 HydrophobicContact CB-CD2 4.26Å
232	K	94.5	Very high	93.6	Very high	111 Å²	111	49 Å²	49	48%	0.483	25%	0.248	S	C	.	.	H	α-helix	trans	-61.4	-49.1	176.1	-65.6	178.1	-178.1	177.1	0	110.8	P228 D229 I234 C235 E236	P228-K232 PolarHBondContact O-N 3.05Å; D229-K232 WeakPolarHBondContact O-CB 3.4Å; D229-K232 PolarHBondContact O-N 3.3Å; D229-K232 VanDerWaalsContact O-N 3.11Å; K232-I234 VanDerWaalsContact C-N 3.33Å; K232-I234 PolarHBondContact O-N 3.32Å; K232-C235 PolarHBondContact O-N 2.93Å; K232-E236 WeakPolarHBondContact O-CB 3.49Å; K232-E236 WeakPolarHBondContact O-CG 3.48Å; K232-E236 PolarHBondContact O-N 3.09Å
233	F	95.2	Very high	93.8	Very high	33 Å²	33	50.7 Å²	50.7	15%	0.145	26%	0.259	C	S	.	.	H	α-helix	trans	-54.8	-48.2	176	172.1	-100.9	0	0	0	111.8	V213 V215 D229 E236 K237	V213-F233 HydrophobicContact CG1-CE1 4.03Å; V215-F233 HydrophobicContact CG2-CD1 3.74Å; V215-F233 HydrophobicContact CG2-CE1 3.87Å; D229-F233 PolarHBondContact O-N 3.47Å; F233-E236 PolarHBondContact O-N 3.37Å; F233-K237 HydrophobicContact CD2-CG 4.27Å; F233-K237 HydrophobicContact CE1-CG 4.16Å; F233-K237 HydrophobicContact CE2-CD 4.24Å; F233-K237 VanDerWaalsContact CE2-CE 3.44Å; F233-K237 HydrophobicContact CE2-CG 3.8Å; F233-K237 HydrophobicContact CZ-CD 4.18Å; F233-K237 HydrophobicContact CZ-CG 3.72Å; F233-K237 WeakPolarHBondContact O-CB 3.42Å; F233-K237 VanDerWaalsContact O-CG 3.27Å; F233-K237 WeakPolarHBondContact O-CG 3.32Å; F233-K237 PolarHBondContact O-N 3.04Å
234	I	96.4	Very high	93.9	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-47.6	177.7	-69	163.3	0	0	0	110.7	I68 A188 C190 V213 V215 N230 A231 K232 E236 K237 L238	I68-I234 HydrophobicContact CD1-CB 4.24Å; I68-I234 HydrophobicContact CD1-CD1 3.97Å; I68-I234 HydrophobicContact CD1-CG2 3.89Å; I68-I234 HydrophobicContact CG1-CD1 4.41Å; I68-I234 HydrophobicContact CG1-CG2 4.01Å; I68-I234 HydrophobicContact CG2-CD1 4.07Å; A188-I234 HydrophobicContact CB-CD1 4.4Å; A188-I234 HydrophobicContact CB-CG2 3.7Å; C190-I234 HydrophobicContact CB-CD1 3.96Å; V213-I234 HydrophobicContact CG1-CG1 3.89Å; V215-I234 HydrophobicContact CB-CD1 4.5Å; V215-I234 HydrophobicContact CG2-CD1 3.89Å; V215-I234 HydrophobicContact CG2-CG1 3.74Å; N230-I234 WeakPolarHBondContact O-CB 3.48Å; N230-I234 WeakPolarHBondContact O-CD1 3.47Å; N230-I234 WeakPolarHBondContact O-CG1 3.31Å; N230-I234 PolarHBondContact O-N 3.32Å; A231-I234 PolarHBondContact O-N 3.49Å; K232-I234 VanDerWaalsContact C-N 3.33Å; K232-I234 PolarHBondContact O-N 3.32Å; I234-E236 VanDerWaalsContact C-N 3.35Å; I234-E236 PolarHBondContact O-N 3.11Å; I234-K237 PolarHBondContact O-N 3Å; I234-L238 HydrophobicContact CG2-CD1 3.64Å; I234-L238 HydrophobicContact CG2-CG 4.14Å; I234-L238 VanDerWaalsContact O-CB 3.32Å; I234-L238 WeakPolarHBondContact O-CB 3.42Å; I234-L238 VanDerWaalsContact O-CG 3.26Å; I234-L238 WeakPolarHBondContact O-CG 3.42Å; I234-L238 PolarHBondContact O-N 3.42Å
235	C	96.4	Very high	94.1	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.034	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-43.2	-179.8	-70.1	0	0	0	0	112.1	A231 K232 L238 H239 V240	A231-C235 WeakPolarHBondContact O-CB 3.47Å; A231-C235 PolarHBondContact O-N 3.11Å; A231-C235 PolarHBondContact O-SG 3.5Å; K232-C235 PolarHBondContact O-N 2.93Å; C235-L238 CarbonylContact O-C 3.53Å; C235-L238 PolarHBondContact O-N 2.92Å; C235-H239 WeakPolarHBondContact O-CA 3.43Å; C235-H239 PolarHBondContact O-N 3.43Å; C235-V240 HydrophobicContact CB-CG2 4.26Å; C235-V240 WeakPolarHBondContact CB-O 3.39Å; C235-V240 PolarHBondContact O-N 3.4Å
236	E	94.5	Very high	94.3	Very high	138 Å²	138	48 Å²	48	65%	0.645	24%	0.238	S	C	*	.	H	α-helix	trans	-61.9	-48.4	176.7	-74.9	174.6	-174.4	0	0	111.8	K232 F233 I234 L238 H239	K232-E236 WeakPolarHBondContact O-CB 3.49Å; K232-E236 WeakPolarHBondContact O-CG 3.48Å; K232-E236 PolarHBondContact O-N 3.09Å; F233-E236 PolarHBondContact O-N 3.37Å; I234-E236 VanDerWaalsContact C-N 3.35Å; I234-E236 PolarHBondContact O-N 3.11Å; E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 3.45Å; E236-H239 PolarHBondContact O-N 2.84Å; E236-H239 PolarHBondContact O-ND1 3.43Å
237	K	90.7	Very high	94.5	Very high	98 Å²	98	45.8 Å²	45.8	43%	0.426	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-39.9	177.9	-74.8	-76.4	174.6	164.1	0	112.5	V213 F233 I234 H239 E397	V213-K237 HydrophobicContact CG2-CB 3.73Å; F233-K237 HydrophobicContact CD2-CG 4.27Å; F233-K237 HydrophobicContact CE1-CG 4.16Å; F233-K237 HydrophobicContact CE2-CD 4.24Å; F233-K237 VanDerWaalsContact CE2-CE 3.44Å; F233-K237 HydrophobicContact CE2-CG 3.8Å; F233-K237 HydrophobicContact CZ-CD 4.18Å; F233-K237 HydrophobicContact CZ-CG 3.72Å; F233-K237 WeakPolarHBondContact O-CB 3.42Å; F233-K237 VanDerWaalsContact O-CG 3.27Å; F233-K237 WeakPolarHBondContact O-CG 3.32Å; F233-K237 PolarHBondContact O-N 3.04Å; I234-K237 PolarHBondContact O-N 3Å; K237-H239 VanDerWaalsContact C-N 3.31Å; K237-E397 VanDerWaalsContact CE-OE1 3.3Å; K237-E397 WeakPolarHBondContact CE-OE1 3.41Å; K237-E397 IonicContact NZ-OE1 2.86Å; K237-E397 PolarHBondContact NZ-OE1 2.84Å
238	L	90.9	Very high	94.7	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-82.7	-7.6	178.2	-63.1	-175.1	0	0	0	113	A66 K186 A188 D212 V213 I234 C235 E236 V240	A66-L238 HydrophobicContact CB-CD1 3.84Å; K186-L238 HydrophobicContact CB-CD1 4.01Å; K186-L238 HydrophobicContact CB-CD2 4.04Å; K186-L238 HydrophobicContact CB-CG 4.45Å; K186-L238 HydrophobicContact CD-CB 3.93Å; K186-L238 HydrophobicContact CD-CD2 3.94Å; K186-L238 HydrophobicContact CD-CG 4.41Å; K186-L238 WeakPolarHBondContact CD-O 3.48Å; K186-L238 PolarHBondContact NZ-O 2.99Å; A188-L238 HydrophobicContact CB-CD1 4.31Å; D212-L238 HydrophobicContact CB-CD2 3.58Å; V213-L238 HydrophobicContact CB-CD2 4.42Å; V213-L238 HydrophobicContact CG2-CD2 3.59Å; V213-L238 HydrophobicContact CG2-CG 3.97Å; I234-L238 HydrophobicContact CG2-CD1 3.64Å; I234-L238 HydrophobicContact CG2-CG 4.14Å; I234-L238 VanDerWaalsContact O-CB 3.32Å; I234-L238 WeakPolarHBondContact O-CB 3.42Å; I234-L238 VanDerWaalsContact O-CG 3.26Å; I234-L238 WeakPolarHBondContact O-CG 3.42Å; I234-L238 PolarHBondContact O-N 3.42Å; C235-L238 CarbonylContact O-C 3.53Å; C235-L238 PolarHBondContact O-N 2.92Å; E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 3.45Å; L238-V240 VanDerWaalsContact C-N 3.33Å; L238-V240 HydrophobicContact CB-CG1 4.38Å; L238-V240 HydrophobicContact CB-CG2 3.95Å; L238-V240 PolarHBondContact O-N 2.91Å
239	H	90.2	Very high	94.8	Very high	142 Å²	142	40.5 Å²	40.5	66%	0.657	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	48	-175	-54.3	-45.5	0	0	0	113	C235 E236 K237	C235-H239 WeakPolarHBondContact O-CA 3.43Å; C235-H239 PolarHBondContact O-N 3.43Å; E236-H239 PolarHBondContact O-N 2.84Å; E236-H239 PolarHBondContact O-ND1 3.43Å; K237-H239 VanDerWaalsContact C-N 3.31Å
240	V	92.3	Very high	94.7	Very high	17 Å²	17	37.9 Å²	37.9	10%	0.103	18%	0.183	C	C	.	.			trans	-124.9	157.1	176.5	-62.9	0	0	0	0	109.3	K65 A66 C235 L238 T245	K65-V240 HydrophobicContact CB-CB 4.43Å; K65-V240 HydrophobicContact CB-CG1 3.64Å; A66-V240 HydrophobicContact CB-CG1 4.29Å; A66-V240 HydrophobicContact CB-CG2 3.86Å; C235-V240 HydrophobicContact CB-CG2 4.26Å; C235-V240 WeakPolarHBondContact CB-O 3.39Å; C235-V240 PolarHBondContact O-N 3.4Å; L238-V240 VanDerWaalsContact C-N 3.33Å; L238-V240 HydrophobicContact CB-CG1 4.38Å; L238-V240 HydrophobicContact CB-CG2 3.95Å; L238-V240 PolarHBondContact O-N 2.91Å; V240-T245 WeakPolarHBondContact CG2-OG1 3.43Å
241	S	93.9	Very high	94.5	Very high	38 Å²	38	38 Å²	38	27%	0.266	18%	0.184	S	C	.	.			trans	-85	155	171.6	87.9	0	0	0	0	110.9	E243 E244 T245	S241-E243 WeakPolarHBondContact CB-OE2 3.34Å; S241-E243 PolarHBondContact O-N 3.02Å; S241-E243 PolarHBondContact OG-N 3.48Å; S241-E243 PolarHBondContact OG-OE2 2.97Å; S241-E244 PolarHBondContact O-N 2.72Å; S241-E244 VanDerWaalsContact O-N 3.07Å; S241-E244 PolarHBondContact OG-N 3.06Å; S241-T245 PolarHBondContact O-N 2.86Å; S241-T245 PolarHBondContact O-OG1 2.69Å
242	P	94.6	Very high	94.3	Very high	39 Å²	39	39.7 Å²	39.7	25%	0.253	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-52.3	-39.6	172.9	-28.7	37.1	0	0	0	112.9	E244 T245 L263 G264	P242-E244 PolarHBondContact O-N 2.67Å; P242-T245 WeakPolarHBondContact O-CB 3.4Å; P242-T245 PolarHBondContact O-N 3.23Å; P242-L263 HydrophobicContact CB-CD2 4.09Å; P242-L263 CarbonylContact O-C 3.6Å; P242-L263 VanDerWaalsContact O-CA 3.31Å; P242-L263 WeakPolarHBondContact O-CA 3.28Å; P242-G264 PolarHBondContact O-N 2.87Å
243	E	93.2	Very high	94.2	Very high	107 Å²	107	35.2 Å²	35.2	50%	0.5	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-68.9	-20.2	-178.9	-52.2	77.4	-169.2	0	0	113.3	S241 G264	S241-E243 WeakPolarHBondContact CB-OE2 3.34Å; S241-E243 PolarHBondContact O-N 3.02Å; S241-E243 PolarHBondContact OG-N 3.48Å; S241-E243 PolarHBondContact OG-OE2 2.97Å; E243-G264 VanDerWaalsContact O-CA 3.29Å; E243-G264 WeakPolarHBondContact O-CA 3.2Å
244	E	93.3	Very high	94.2	Very high	54 Å²	54	33.7 Å²	33.7	25%	0.252	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-95.7	6.8	174.6	-64.1	-178.9	145.1	0	0	112.1	Y64 K65 A66 S241 P242	Y64-E244 CarbonylContact C-O 3.54Å; Y64-E244 VanDerWaalsContact CA-O 3.26Å; Y64-E244 WeakPolarHBondContact CA-O 3.36Å; K65-E244 HydrophobicContact CB-CB 4.4Å; K65-E244 VanDerWaalsContact CD-OE2 3.29Å; K65-E244 WeakPolarHBondContact CD-OE2 3.49Å; K65-E244 VanDerWaalsContact CE-CD 3.46Å; K65-E244 WeakPolarHBondContact CE-OE1 3.26Å; K65-E244 VanDerWaalsContact CE-OE2 3.27Å; K65-E244 WeakPolarHBondContact CE-OE2 3.47Å; K65-E244 HydrophobicContact CG-CB 4.38Å; K65-E244 PolarHBondContact N-O 2.82Å; K65-E244 IonicContact NZ-OE1 3.16Å; K65-E244 PolarHBondContact NZ-OE1 3.12Å; K65-E244 IonicContact NZ-OE2 2.84Å; K65-E244 PolarHBondContact NZ-OE2 3.22Å; A66-E244 PolarHBondContact N-O 3.19Å; S241-E244 PolarHBondContact O-N 2.72Å; S241-E244 VanDerWaalsContact O-N 3.07Å; S241-E244 PolarHBondContact OG-N 3.06Å; P242-E244 PolarHBondContact O-N 2.67Å
245	T	96.4	Very high	94.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.1	-174.9	-58.4	0	0	0	0	111.2	A66 I68 V240 S241 P242 L263 G264 L265	A66-T245 HydrophobicContact CB-CG2 4.12Å; A66-T245 WeakPolarHBondContact O-CA 3.09Å; I68-T245 HydrophobicContact CD1-CG2 3.72Å; I68-T245 HydrophobicContact CG1-CG2 3.8Å; V240-T245 WeakPolarHBondContact CG2-OG1 3.43Å; S241-T245 PolarHBondContact O-N 2.86Å; S241-T245 PolarHBondContact O-OG1 2.69Å; P242-T245 WeakPolarHBondContact O-CB 3.4Å; P242-T245 PolarHBondContact O-N 3.23Å; T245-L263 HydrophobicContact CG2-CD2 4.09Å; T245-G264 PolarHBondContact O-N 2.84Å; T245-L265 PolarHBondContact O-N 3.26Å
246	V	97.5	Very high	94.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.1	176.7	-173	0	0	0	0	109.6	Y64 A66 V67 I68 V248 L265 I267 V320	Y64-V246 HydrophobicContact CD1-CG2 3.63Å; Y64-V246 HydrophobicContact CD2-CG2 3.85Å; Y64-V246 HydrophobicContact CE1-CG2 4.26Å; Y64-V246 HydrophobicContact CE2-CG2 4.44Å; Y64-V246 HydrophobicContact CG-CG2 3.4Å; Y64-V246 VanDerWaalsContact CG-CG2 3.4Å; A66-V246 PolarHBondContact O-N 3.14Å; V67-V246 CarbonylContact C-O 3.58Å; V67-V246 WeakPolarHBondContact CA-O 3.33Å; V67-V246 HydrophobicContact CB-CB 4.49Å; V67-V246 HydrophobicContact CG1-CB 4.34Å; V67-V246 HydrophobicContact CG2-CB 4.11Å; V67-V246 HydrophobicContact CG2-CG2 4.31Å; I68-V246 PolarHBondContact N-O 2.74Å; V246-V248 HydrophobicContact CG1-CG2 4.15Å; V246-L265 CarbonylContact C-O 3.56Å; V246-L265 VanDerWaalsContact CA-O 3.28Å; V246-L265 WeakPolarHBondContact CA-O 3.34Å; V246-L265 HydrophobicContact CB-CB 4.41Å; V246-L265 HydrophobicContact CG1-CB 4.06Å; V246-L265 HydrophobicContact CG1-CD2 3.91Å; V246-L265 HydrophobicContact CG1-CG 3.95Å; V246-L265 HydrophobicContact CG2-CB 4.08Å; V246-L265 HydrophobicContact CG2-CD2 4.12Å; V246-I267 HydrophobicContact CG1-CD1 3.86Å; V246-I267 HydrophobicContact CG1-CG1 4.02Å; V246-V320 HydrophobicContact CG1-CG2 4.26Å; V246-V320 HydrophobicContact CG2-CG1 4.34Å; V246-V320 HydrophobicContact CG2-CG2 4.32Å
247	M	97.7	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.4	163.2	176	63.6	-171.3	0	0	110	I68 D70 D254 F257 A258 L263 L265 C266 I267	I68-M247 HydrophobicContact CB-SD 3.95Å; I68-M247 HydrophobicContact CG2-SD 3.81Å; I68-M247 CarbonylContact O-C 3.42Å; I68-M247 WeakPolarHBondContact O-CA 3.19Å; D70-M247 HydrophobicContact CB-CE 4.04Å; M247-D254 HydrophobicContact CE-CB 3.62Å; M247-D254 WeakPolarHBondContact CE-OD1 3.06Å; M247-F257 HydrophobicContact CE-CD1 4.28Å; M247-F257 HydrophobicContact CG-CD1 4.25Å; M247-F257 HydrophobicContact SD-CD1 3.91Å; M247-F257 HydrophobicContact SD-CE1 3.99Å; M247-A258 HydrophobicContact CB-CB 3.62Å; M247-A258 HydrophobicContact CG-CB 3.93Å; M247-L263 HydrophobicContact CB-CD1 3.69Å; M247-L265 PolarHBondContact N-O 3.21Å; M247-C266 CarbonylContact O-C 3.56Å; M247-C266 WeakPolarHBondContact O-CA 3.26Å; M247-I267 PolarHBondContact O-N 3.41Å
248	V	98.2	Very high	94.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	120	172.1	-170.1	0	0	0	0	108.2	V67 I68 F69 D70 T74 V246 I267 V269 V313 I316	V67-V248 HydrophobicContact CG1-CG2 3.66Å; I68-V248 PolarHBondContact O-N 3.07Å; F69-V248 CarbonylContact C-O 3.58Å; F69-V248 HydrophobicContact CD1-CB 3.93Å; F69-V248 HydrophobicContact CD1-CG1 4.38Å; F69-V248 HydrophobicContact CD1-CG2 4.23Å; F69-V248 HydrophobicContact CE1-CB 4.29Å; F69-V248 HydrophobicContact CE1-CG2 4.15Å; D70-V248 PolarHBondContact N-O 2.87Å; T74-V248 HydrophobicContact CG2-CB 4.5Å; T74-V248 HydrophobicContact CG2-CG1 3.97Å; V246-V248 HydrophobicContact CG1-CG2 4.15Å; V248-I267 WeakPolarHBondContact CA-O 3.18Å; V248-I267 HydrophobicContact CG1-CB 4.42Å; V248-I267 HydrophobicContact CG2-CB 4.27Å; V248-I267 HydrophobicContact CG2-CD1 4.33Å; V248-V269 HydrophobicContact CG1-CG1 3.64Å; V248-V313 HydrophobicContact CG1-CG2 4.19Å; V248-I316 HydrophobicContact CG1-CG2 4.01Å; V248-I316 HydrophobicContact CG2-CD1 4.08Å; V248-I316 HydrophobicContact CG2-CG2 4.37Å
249	G	96.1	Very high	94.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	161.7	-179	0	0	0	0	0	112.2	T74 I267 G268 V269	T74-G249 WeakPolarHBondContact OG1-CA 3.16Å; G249-I267 PolarHBondContact N-O 3.49Å; G249-I267 VanDerWaalsContact N-O 3.12Å; G249-G268 CarbonylContact O-C 3.55Å; G249-G268 VanDerWaalsContact O-CA 3.27Å; G249-G268 WeakPolarHBondContact O-CA 3.44Å; G249-V269 PolarHBondContact O-N 3.18Å
250	D	93.6	Very high	94.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.106	C	C	.	.	S	Bend	trans	-102.9	-14.5	-176	72.4	-57.7	0	0	0	113	T74 D254 V269 G272 I273 G274 L279	T74-D250 PolarHBondContact OG1-N 2.89Å; D250-D254 PolarHBondContact N-OD2 3.1Å; D250-V269 WeakPolarHBondContact CA-O 3.44Å; D250-V269 HydrophobicContact CB-CG2 3.7Å; D250-V269 WeakPolarHBondContact CB-O 3.43Å; D250-G272 VanDerWaalsContact OD2-CA 3.27Å; D250-G272 WeakPolarHBondContact OD2-CA 3.49Å; D250-I273 PolarHBondContact OD2-N 3.06Å; D250-G274 WeakPolarHBondContact O-CA 3.2Å; D250-G274 PolarHBondContact O-N 2.65Å; D250-L279 WeakPolarHBondContact O-CD2 3.37Å
251	T	92.5	Very high	94.8	Very high	9 Å²	9	18.7 Å²	18.7	6%	0.055	11%	0.105	C	C	.	.	S	Bend	trans	-103.3	159.4	-173.1	71.1	0	0	0	0	113.1	T253 D254 I255 L279	T251-T253 PolarHBondContact O-N 3.49Å; T251-T253 WeakPolarHBondContact OG1-CB 3.32Å; T251-T253 PolarHBondContact OG1-N 3.43Å; T251-D254 WeakPolarHBondContact CB-OD2 3.42Å; T251-D254 PolarHBondContact N-OD2 3.47Å; T251-D254 WeakPolarHBondContact O-CB 3.17Å; T251-D254 PolarHBondContact O-N 3.07Å; T251-D254 VanDerWaalsContact OG1-CG 3.27Å; T251-D254 PolarHBondContact OG1-N 2.75Å; T251-D254 PolarHBondContact OG1-OD2 2.71Å; T251-I255 WeakPolarHBondContact O-CG1 3.29Å; T251-I255 PolarHBondContact O-N 2.74Å; T251-L279 VanDerWaalsContact C-CD2 3.47Å
252	S	92.2	Very high	94.8	Very high	36 Å²	36	20.7 Å²	20.7	25%	0.252	11%	0.113	S	C	.	.	H	α-helix	trans	-59	-30.2	171	-61.9	0	0	0	0	111.9	D254 I255 A256 T282	S252-D254 VanDerWaalsContact C-N 3.31Å; S252-D254 PolarHBondContact O-N 2.83Å; S252-I255 PolarHBondContact O-N 3.18Å; S252-A256 WeakPolarHBondContact O-CB 3.4Å; S252-A256 PolarHBondContact O-N 2.92Å; S252-T282 WeakPolarHBondContact CB-OG1 3.34Å; S252-T282 WeakPolarHBondContact O-CG2 3.38Å; S252-T282 PolarHBondContact OG-OG1 3.38Å
253	T	92.8	Very high	94.9	Very high	17 Å²	17	18.9 Å²	18.9	10%	0.104	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-38.2	175.8	-52.7	0	0	0	0	111.4	K225 P226 T251 F257	K225-T253 VanDerWaalsContact C-CG2 3.48Å; K225-T253 HydrophobicContact CB-CG2 3.54Å; K225-T253 WeakPolarHBondContact O-CG2 3.15Å; P226-T253 HydrophobicContact CB-CG2 4.25Å; T251-T253 PolarHBondContact O-N 3.49Å; T251-T253 WeakPolarHBondContact OG1-CB 3.32Å; T251-T253 PolarHBondContact OG1-N 3.43Å; T253-F257 WeakPolarHBondContact O-CB 3.42Å; T253-F257 PolarHBondContact O-N 3.43Å
254	D	95.7	Very high	94.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.9	-41.7	175.8	-60	-50.8	0	0	0	112.6	K225 M247 D250 T251 S252 F257 A258	K225-D254 WeakPolarHBondContact CE-OD1 3.26Å; K225-D254 IonicContact NZ-OD1 2.69Å; K225-D254 PolarHBondContact NZ-OD1 3.41Å; M247-D254 HydrophobicContact CE-CB 3.62Å; M247-D254 WeakPolarHBondContact CE-OD1 3.06Å; D250-D254 PolarHBondContact N-OD2 3.1Å; T251-D254 WeakPolarHBondContact CB-OD2 3.42Å; T251-D254 PolarHBondContact N-OD2 3.47Å; T251-D254 WeakPolarHBondContact O-CB 3.17Å; T251-D254 PolarHBondContact O-N 3.07Å; T251-D254 VanDerWaalsContact OG1-CG 3.27Å; T251-D254 PolarHBondContact OG1-N 2.75Å; T251-D254 PolarHBondContact OG1-OD2 2.71Å; S252-D254 VanDerWaalsContact C-N 3.31Å; S252-D254 PolarHBondContact O-N 2.83Å; D254-F257 WeakPolarHBondContact O-CB 3.28Å; D254-F257 PolarHBondContact O-N 2.87Å; D254-A258 WeakPolarHBondContact O-CB 3.43Å; D254-A258 PolarHBondContact O-N 3.37Å
255	I	95.4	Very high	94.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.5	-45.7	177.8	-54.9	-50.4	0	0	0	110.3	T251 S252 A258 K259 C266 L279 T282 W283 L307	T251-I255 WeakPolarHBondContact O-CG1 3.29Å; T251-I255 PolarHBondContact O-N 2.74Å; S252-I255 PolarHBondContact O-N 3.18Å; I255-A258 PolarHBondContact O-N 2.8Å; I255-K259 WeakPolarHBondContact O-CB 3.42Å; I255-K259 PolarHBondContact O-N 2.77Å; I255-C266 WeakPolarHBondContact CD1-SG 3.47Å; I255-L279 HydrophobicContact CD1-CD2 4.49Å; I255-L279 HydrophobicContact CG1-CB 4.09Å; I255-L279 HydrophobicContact CG1-CD2 3.78Å; I255-L279 HydrophobicContact CG1-CG 4.4Å; I255-T282 HydrophobicContact CB-CG2 4.21Å; I255-T282 HydrophobicContact CG2-CG2 4.23Å; I255-W283 HydrophobicContact CG2-CB 3.77Å; I255-W283 HydrophobicContact CG2-CD2 4.4Å; I255-W283 HydrophobicContact CG2-CE3 3.68Å; I255-L307 HydrophobicContact CD1-CD1 3.88Å
256	A	94.7	Very high	94.9	Very high	4 Å²	4	11.8 Å²	11.8	3%	0.033	7%	0.071	C	C	.	.	H	α-helix	trans	-64.6	-40.2	175.8	0	0	0	0	0	111.7	P226 S252 K259 N260 T282 Y286	P226-A256 HydrophobicContact CB-CB 3.59Å; P226-A256 HydrophobicContact CG-CB 4.44Å; S252-A256 WeakPolarHBondContact O-CB 3.4Å; S252-A256 PolarHBondContact O-N 2.92Å; A256-K259 PolarHBondContact O-N 2.85Å; A256-N260 VanDerWaalsContact O-CB 3.27Å; A256-N260 WeakPolarHBondContact O-CB 3.27Å; A256-N260 PolarHBondContact O-N 3.47Å; A256-N260 PolarHBondContact O-ND2 2.83Å; A256-T282 HydrophobicContact CB-CG2 4.03Å; A256-Y286 HydrophobicContact CB-CD2 4.24Å; A256-Y286 HydrophobicContact CB-CE2 3.7Å
257	F	95.7	Very high	94.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.3	-52	174.7	172.3	-112.6	0	0	0	112	K225 H227 N230 A231 M247 T253 D254 K259 N260 A261	K225-F257 HydrophobicContact CB-CB 4.18Å; K225-F257 HydrophobicContact CB-CD2 4.33Å; K225-F257 HydrophobicContact CB-CG 4.36Å; K225-F257 HydrophobicContact CD-CB 4.32Å; K225-F257 HydrophobicContact CD-CD1 4.15Å; K225-F257 HydrophobicContact CD-CG 4.1Å; K225-F257 HydrophobicContact CG-CB 4.16Å; K225-F257 HydrophobicContact CG-CD1 4.31Å; K225-F257 HydrophobicContact CG-CD2 3.83Å; K225-F257 HydrophobicContact CG-CE2 4.22Å; K225-F257 HydrophobicContact CG-CG 3.85Å; H227-F257 VanDerWaalsContact O-CD2 3.31Å; H227-F257 WeakPolarHBondContact O-CD2 3.29Å; H227-F257 WeakPolarHBondContact O-CE2 3.35Å; N230-F257 HydrophobicContact CB-CE2 4.03Å; N230-F257 HydrophobicContact CB-CZ 4.2Å; A231-F257 HydrophobicContact CB-CE1 4.21Å; A231-F257 HydrophobicContact CB-CE2 3.81Å; A231-F257 HydrophobicContact CB-CZ 3.5Å; A231-F257 VanDerWaalsContact CB-CZ 3.5Å; M247-F257 HydrophobicContact CE-CD1 4.28Å; M247-F257 HydrophobicContact CG-CD1 4.25Å; M247-F257 HydrophobicContact SD-CD1 3.91Å; M247-F257 HydrophobicContact SD-CE1 3.99Å; T253-F257 WeakPolarHBondContact O-CB 3.42Å; T253-F257 PolarHBondContact O-N 3.43Å; D254-F257 WeakPolarHBondContact O-CB 3.28Å; D254-F257 PolarHBondContact O-N 2.87Å; F257-K259 VanDerWaalsContact C-N 3.27Å; F257-K259 PolarHBondContact O-N 3.22Å; F257-N260 PolarHBondContact O-N 2.86Å; F257-A261 WeakPolarHBondContact O-CB 3.31Å; F257-A261 PolarHBondContact O-N 3.12Å
258	A	96	Very high	94.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-59.6	-41.1	179.5	0	0	0	0	0	112.1	M247 D254 I255 N262 L263 C266	M247-A258 HydrophobicContact CB-CB 3.62Å; M247-A258 HydrophobicContact CG-CB 3.93Å; D254-A258 WeakPolarHBondContact O-CB 3.43Å; D254-A258 PolarHBondContact O-N 3.37Å; I255-A258 PolarHBondContact O-N 2.8Å; A258-N262 PolarHBondContact O-N 2.79Å; A258-L263 HydrophobicContact CB-CB 4.46Å; A258-L263 HydrophobicContact CB-CD1 4.16Å; A258-L263 PolarHBondContact O-N 2.88Å; A258-C266 HydrophobicContact CB-CB 3.8Å; A258-C266 VanDerWaalsContact CB-SG 3.56Å
259	K	92.7	Very high	94.2	Very high	15 Å²	15	11.8 Å²	11.8	7%	0.065	7%	0.071	C	C	.	.	H	α-helix	trans	-69.8	-48	179.7	-171.9	63.9	-178	171.5	0	111.9	I255 A256 F257 A261 N262 W283 E290	I255-K259 WeakPolarHBondContact O-CB 3.42Å; I255-K259 PolarHBondContact O-N 2.77Å; A256-K259 PolarHBondContact O-N 2.85Å; F257-K259 VanDerWaalsContact C-N 3.27Å; F257-K259 PolarHBondContact O-N 3.22Å; K259-A261 PolarHBondContact O-N 2.97Å; K259-N262 PolarHBondContact O-N 3.17Å; K259-N262 PolarHBondContact O-OD1 2.92Å; K259-W283 HydrophobicContact CB-CE3 4.23Å; K259-W283 HydrophobicContact CB-CZ3 4.09Å; K259-W283 HydrophobicContact CD-CE3 4.28Å; K259-W283 HydrophobicContact CD-CH2 4.17Å; K259-W283 HydrophobicContact CD-CZ2 4.38Å; K259-W283 HydrophobicContact CD-CZ3 4.1Å; K259-E290 WeakPolarHBondContact CE-OE2 3.35Å; K259-E290 IonicContact NZ-OE2 2.95Å; K259-E290 PolarHBondContact NZ-OE2 3.27Å
260	N	94.4	Very high	93.7	Very high	59 Å²	59	14.9 Å²	14.9	32%	0.316	9%	0.087	S	C	.	.	H	α-helix	trans	-61.1	-29.5	178.1	-72.4	-21.1	0	0	0	112.7	P226 P228 A256 F257 Y286	P226-N260 PolarHBondContact O-ND2 2.81Å; P228-N260 HydrophobicContact CB-CB 4.15Å; P228-N260 HydrophobicContact CG-CB 4.37Å; A256-N260 VanDerWaalsContact O-CB 3.27Å; A256-N260 WeakPolarHBondContact O-CB 3.27Å; A256-N260 PolarHBondContact O-N 3.47Å; A256-N260 PolarHBondContact O-ND2 2.83Å; F257-N260 PolarHBondContact O-N 2.86Å; N260-Y286 VanDerWaalsContact OD1-CD1 3.27Å; N260-Y286 WeakPolarHBondContact OD1-CD1 3.48Å; N260-Y286 WeakPolarHBondContact OD1-CE1 3.45Å
261	A	94.8	Very high	93.2	Very high	11 Å²	11	16.3 Å²	16.3	9%	0.091	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-0.7	178.1	0	0	0	0	0	114.1	P228 A231 F257 K259 L263	P228-A261 HydrophobicContact CB-CB 3.85Å; A231-A261 HydrophobicContact CB-CB 3.32Å; F257-A261 WeakPolarHBondContact O-CB 3.31Å; F257-A261 PolarHBondContact O-N 3.12Å; K259-A261 PolarHBondContact O-N 2.97Å; A261-L263 VanDerWaalsContact C-N 3.27Å; A261-L263 HydrophobicContact CB-CD2 4.04Å; A261-L263 HydrophobicContact CB-CG 3.94Å; A261-L263 PolarHBondContact O-N 2.81Å
262	N	94	Very high	92.8	Very high	80 Å²	80	16.9 Å²	16.9	43%	0.428	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	41.3	-175.4	-64.4	-42.7	0	0	0	113.6	A258 K259 E290	A258-N262 PolarHBondContact O-N 2.79Å; K259-N262 PolarHBondContact O-N 3.17Å; K259-N262 PolarHBondContact O-OD1 2.92Å; N262-E290 PolarHBondContact OD1-OE1 2.86Å
263	L	95.2	Very high	92.5	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	10%	0.099	C	C	.	.			trans	-67.9	144	177.5	-58.2	-174.8	0	0	0	111.1	I68 A231 P242 T245 M247 A258 A261 L265 S305	I68-L263 HydrophobicContact CD1-CD1 4.28Å; A231-L263 HydrophobicContact CB-CD2 4.26Å; P242-L263 HydrophobicContact CB-CD2 4.09Å; P242-L263 CarbonylContact O-C 3.6Å; P242-L263 VanDerWaalsContact O-CA 3.31Å; P242-L263 WeakPolarHBondContact O-CA 3.28Å; T245-L263 HydrophobicContact CG2-CD2 4.09Å; M247-L263 HydrophobicContact CB-CD1 3.69Å; A258-L263 HydrophobicContact CB-CB 4.46Å; A258-L263 HydrophobicContact CB-CD1 4.16Å; A258-L263 PolarHBondContact O-N 2.88Å; A261-L263 VanDerWaalsContact C-N 3.27Å; A261-L263 HydrophobicContact CB-CD2 4.04Å; A261-L263 HydrophobicContact CB-CG 3.94Å; A261-L263 PolarHBondContact O-N 2.81Å; L263-L265 VanDerWaalsContact C-N 3.27Å; L263-L265 PolarHBondContact O-N 2.85Å; L263-S305 VanDerWaalsContact O-CB 3.25Å; L263-S305 WeakPolarHBondContact O-CB 3.44Å
264	G	92.8	Very high	92	Very high	9 Å²	9	16.1 Å²	16.1	9%	0.093	10%	0.1	C	C	.	.	S	Bend	trans	-63.2	-30.9	-173.6	0	0	0	0	0	114.5	P242 E243 T245	P242-G264 PolarHBondContact O-N 2.87Å; E243-G264 VanDerWaalsContact O-CA 3.29Å; E243-G264 WeakPolarHBondContact O-CA 3.2Å; T245-G264 PolarHBondContact O-N 2.84Å
265	L	94.7	Very high	91.5	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136.4	177.7	178.8	63.6	0	0	0	110.5	Y64 T245 V246 M247 L263 I267 K306	Y64-L265 HydrophobicContact CD1-CB 4.46Å; Y64-L265 HydrophobicContact CD2-CD2 4.37Å; Y64-L265 HydrophobicContact CE1-CB 3.68Å; Y64-L265 HydrophobicContact CE2-CB 4.29Å; Y64-L265 HydrophobicContact CE2-CD2 3.69Å; T245-L265 PolarHBondContact O-N 3.26Å; V246-L265 CarbonylContact C-O 3.56Å; V246-L265 VanDerWaalsContact CA-O 3.28Å; V246-L265 WeakPolarHBondContact CA-O 3.34Å; V246-L265 HydrophobicContact CB-CB 4.41Å; V246-L265 HydrophobicContact CG1-CB 4.06Å; V246-L265 HydrophobicContact CG1-CD2 3.91Å; V246-L265 HydrophobicContact CG1-CG 3.95Å; V246-L265 HydrophobicContact CG2-CB 4.08Å; V246-L265 HydrophobicContact CG2-CD2 4.12Å; M247-L265 PolarHBondContact N-O 3.21Å; L263-L265 VanDerWaalsContact C-N 3.27Å; L263-L265 PolarHBondContact O-N 2.85Å; L265-I267 HydrophobicContact CD1-CG1 4.44Å; L265-I267 HydrophobicContact CD2-CD1 3.92Å; L265-I267 HydrophobicContact CD2-CG1 4.03Å; L265-I267 HydrophobicContact CG-CD1 4.38Å; L265-I267 HydrophobicContact CG-CG1 3.93Å; L265-K306 HydrophobicContact CD1-CB 4.04Å
266	C	96.7	Very high	91.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.8	169.6	-174	0	0	0	0	108.7	M247 I255 A258 W283 K306 L307 H308	M247-C266 CarbonylContact O-C 3.56Å; M247-C266 WeakPolarHBondContact O-CA 3.26Å; I255-C266 WeakPolarHBondContact CD1-SG 3.47Å; A258-C266 HydrophobicContact CB-CB 3.8Å; A258-C266 VanDerWaalsContact CB-SG 3.56Å; C266-W283 HydrophobicContact CB-CE3 4.23Å; C266-W283 HydrophobicContact CB-CH2 3.8Å; C266-W283 HydrophobicContact CB-CZ3 3.4Å; C266-K306 PolarHBondContact N-O 2.67Å; C266-L307 HydrophobicContact CB-CD1 4.18Å; C266-L307 CarbonylContact O-C 3.54Å; C266-L307 VanDerWaalsContact O-CA 3.31Å; C266-L307 WeakPolarHBondContact O-CA 3.46Å; C266-H308 PolarHBondContact O-N 3.43Å
267	I	95.9	Very high	90.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	109.8	176.7	-52.4	178.4	0	0	0	108.1	V246 M247 V248 G249 L265 H308 V310 I316 L319 V320	V246-I267 HydrophobicContact CG1-CD1 3.86Å; V246-I267 HydrophobicContact CG1-CG1 4.02Å; M247-I267 PolarHBondContact O-N 3.41Å; V248-I267 WeakPolarHBondContact CA-O 3.18Å; V248-I267 HydrophobicContact CG1-CB 4.42Å; V248-I267 HydrophobicContact CG2-CB 4.27Å; V248-I267 HydrophobicContact CG2-CD1 4.33Å; G249-I267 PolarHBondContact N-O 3.49Å; G249-I267 VanDerWaalsContact N-O 3.12Å; L265-I267 HydrophobicContact CD1-CG1 4.44Å; L265-I267 HydrophobicContact CD2-CD1 3.92Å; L265-I267 HydrophobicContact CD2-CG1 4.03Å; L265-I267 HydrophobicContact CG-CD1 4.38Å; L265-I267 HydrophobicContact CG-CG1 3.93Å; I267-H308 CarbonylContact C-O 3.55Å; I267-H308 VanDerWaalsContact CA-O 3.29Å; I267-H308 WeakPolarHBondContact CA-O 3.4Å; I267-V310 HydrophobicContact CG2-CG1 4.24Å; I267-V310 HydrophobicContact CG2-CG2 3.65Å; I267-I316 HydrophobicContact CD1-CB 3.98Å; I267-I316 HydrophobicContact CD1-CG2 4.08Å; I267-I316 HydrophobicContact CG2-CG2 4.03Å; I267-L319 HydrophobicContact CD1-CB 4.03Å; I267-L319 HydrophobicContact CD1-CD1 4.06Å; I267-L319 HydrophobicContact CG1-CD1 4.39Å; I267-L319 HydrophobicContact CG2-CD1 4.3Å; I267-V320 HydrophobicContact CD1-CG2 3.95Å
268	G	93.2	Very high	90.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.3	170.1	0	0	0	0	0	110.6	G249 H308 I309 V310	G249-G268 CarbonylContact O-C 3.55Å; G249-G268 VanDerWaalsContact O-CA 3.27Å; G249-G268 WeakPolarHBondContact O-CA 3.44Å; G268-H308 PolarHBondContact N-O 3.47Å; G268-I309 CarbonylContact O-C 3.58Å; G268-I309 WeakPolarHBondContact O-CA 3.02Å; G268-V310 PolarHBondContact O-N 3.23Å
269	V	88.3	Confident	90.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	139	175.8	-57.4	0	0	0	0	111.1	T74 V248 G249 D250 S271 V310	T74-V269 HydrophobicContact CG2-CG2 4.27Å; V248-V269 HydrophobicContact CG1-CG1 3.64Å; G249-V269 PolarHBondContact O-N 3.18Å; D250-V269 WeakPolarHBondContact CA-O 3.44Å; D250-V269 HydrophobicContact CB-CG2 3.7Å; D250-V269 WeakPolarHBondContact CB-O 3.43Å; V269-S271 VanDerWaalsContact C-N 3.34Å; V269-V310 WeakPolarHBondContact CA-O 2.83Å; V269-V310 HydrophobicContact CG1-CG2 3.86Å
270	L	86.1	Confident	90.5	Very high	65 Å²	65	34.5 Å²	34.5	34%	0.34	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	7.6	-179.9	-57.6	179.2	0	0	0	113.6	G272 Q276 L279 I309 V310 P311	L270-G272 PolarHBondContact O-N 3Å; L270-Q276 HydrophobicContact CD1-CB 4.45Å; L270-Q276 HydrophobicContact CD2-CB 3.91Å; L270-L279 HydrophobicContact CD2-CD1 4.45Å; L270-I309 HydrophobicContact CD1-CG2 3.89Å; L270-I309 HydrophobicContact CD2-CG2 3.76Å; L270-I309 HydrophobicContact CG-CG2 3.74Å; L270-V310 PolarHBondContact N-O 3.33Å; L270-P311 CarbonylContact C-O 3.55Å; L270-P311 PolarHBondContact N-O 3.48Å
271	S	82.5	Confident	90.4	Very high	31 Å²	31	34.6 Å²	34.6	22%	0.217	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.6	177.6	49.2	0	0	0	0	113.6	G73 V269 P311	G73-S271 CarbonylContact O-C 3.57Å; G73-S271 VanDerWaalsContact O-C 3.32Å; G73-S271 PolarHBondContact O-OG 3.45Å; V269-S271 VanDerWaalsContact C-N 3.34Å; S271-P311 PolarHBondContact N-O 3.23Å; S271-P311 VanDerWaalsContact N-O 3.11Å
272	G	86.1	Confident	90.3	Very high	22 Å²	22	35.1 Å²	35.1	23%	0.227	21%	0.212	C	C	.	.	S	Bend	trans	-105.9	-145.7	-178.7	0	0	0	0	0	113.5	G73 D250 L270	G73-G272 VanDerWaalsContact CA-CA 3.41Å; G73-G272 WeakPolarHBondContact O-CA 3.36Å; G73-G272 PolarHBondContact O-N 2.98Å; G73-G272 VanDerWaalsContact O-N 3.13Å; D250-G272 VanDerWaalsContact OD2-CA 3.27Å; D250-G272 WeakPolarHBondContact OD2-CA 3.49Å; L270-G272 PolarHBondContact O-N 3Å
273	I	85.7	Confident	90.1	Very high	24 Å²	24	32.4 Å²	32.4	12%	0.123	20%	0.196	C	C	.	.	S	Bend	trans	-90.6	-27.6	-173	-67	177.5	0	0	0	112	F78 I118 P120 A124 D250	F78-I273 HydrophobicContact CB-CD1 4.38Å; F78-I273 HydrophobicContact CB-CG1 4.31Å; F78-I273 HydrophobicContact CD1-CD1 3.3Å; F78-I273 HydrophobicContact CD1-CG1 4.1Å; F78-I273 HydrophobicContact CD2-CD1 3.68Å; F78-I273 HydrophobicContact CD2-CG1 4.15Å; F78-I273 HydrophobicContact CE1-CD1 3.4Å; F78-I273 HydrophobicContact CE2-CD1 3.77Å; F78-I273 HydrophobicContact CG-CD1 3.49Å; F78-I273 VanDerWaalsContact CG-CD1 3.49Å; F78-I273 HydrophobicContact CG-CG1 3.9Å; F78-I273 HydrophobicContact CZ-CD1 3.67Å; I118-I273 HydrophobicContact CB-CD1 3.96Å; I118-I273 HydrophobicContact CG2-CD1 3.65Å; P120-I273 HydrophobicContact CB-CG2 4.28Å; P120-I273 VanDerWaalsContact CD-CG2 3.43Å; P120-I273 HydrophobicContact CG-CG2 3.7Å; P120-I273 VanDerWaalsContact N-CG2 3.27Å; A124-I273 HydrophobicContact CB-CD1 3.61Å; A124-I273 HydrophobicContact CB-CG2 4.33Å; D250-I273 PolarHBondContact OD2-N 3.06Å
274	G	82.4	Confident	89.9	Confident	13 Å²	13	38 Å²	38	13%	0.134	22%	0.222	C	C	.	.			trans	-67.3	143.3	-178.9	0	0	0	0	0	113.1	D250	D250-G274 WeakPolarHBondContact O-CA 3.2Å; D250-G274 PolarHBondContact O-N 2.65Å
275	Q	84	Confident	89.6	Confident	139 Å²	139	44.3 Å²	44.3	65%	0.65	25%	0.246	S	C	*	.			trans	-100	143.4	174.2	-62.4	-173	-1.7	0	0	109.9	S277 G278 L279	Q275-S277 VanDerWaalsContact C-N 3.27Å; Q275-S277 PolarHBondContact O-N 3.22Å; Q275-S277 VanDerWaalsContact O-N 3.14Å; Q275-G278 WeakPolarHBondContact O-CA 3.39Å; Q275-G278 PolarHBondContact O-N 2.91Å; Q275-L279 WeakPolarHBondContact O-CG 3.33Å; Q275-L279 PolarHBondContact O-N 3.36Å
276	Q	88.6	Confident	88.6	Confident	92 Å²	92	47.1 Å²	47.1	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-46.4	-48.9	-178.7	177.7	171	-11.2	0	0	113.2	L270 G278 L279 E280 I309	L270-Q276 HydrophobicContact CD1-CB 4.45Å; L270-Q276 HydrophobicContact CD2-CB 3.91Å; Q276-G278 VanDerWaalsContact C-N 3.31Å; Q276-G278 PolarHBondContact O-N 3.45Å; Q276-L279 PolarHBondContact O-N 2.97Å; Q276-E280 HydrophobicContact CG-CG 4.37Å; Q276-E280 WeakPolarHBondContact CG-OE1 3.22Å; Q276-E280 PolarHBondContact NE2-OE1 3.39Å; Q276-E280 WeakPolarHBondContact O-CG 3.34Å; Q276-E280 PolarHBondContact O-N 3.21Å; Q276-I309 HydrophobicContact CB-CG2 4.43Å; Q276-I309 HydrophobicContact CG-CG1 4.41Å; Q276-I309 HydrophobicContact CG-CG2 4.1Å
277	S	89.6	Confident	87	Confident	77 Å²	77	49 Å²	49	54%	0.538	27%	0.27	S	S	.	.	H	α-helix	trans	-60.8	-37.7	179.8	55.1	0	0	0	0	113	Q275 A281	Q275-S277 VanDerWaalsContact C-N 3.27Å; Q275-S277 PolarHBondContact O-N 3.22Å; Q275-S277 VanDerWaalsContact O-N 3.14Å; S277-A281 WeakPolarHBondContact O-CB 3.29Å; S277-A281 PolarHBondContact O-N 2.73Å
278	G	89.6	Confident	84.9	Confident	27 Å²	27	55.8 Å²	55.8	28%	0.278	30%	0.302	S	S	.	.	H	α-helix	trans	-69.4	-39.4	176.4	0	0	0	0	0	112.7	Q275 Q276 T282	Q275-G278 WeakPolarHBondContact O-CA 3.39Å; Q275-G278 PolarHBondContact O-N 2.91Å; Q276-G278 VanDerWaalsContact C-N 3.31Å; Q276-G278 PolarHBondContact O-N 3.45Å; G278-T282 WeakPolarHBondContact O-CB 3.27Å; G278-T282 PolarHBondContact O-N 3.25Å; G278-T282 PolarHBondContact O-OG1 2.98Å
279	L	92.1	Very high	83	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65.5	-48.1	176.7	-59	-171	0	0	0	111.3	D250 T251 I255 L270 Q275 Q276 T282 W283 I309	D250-L279 WeakPolarHBondContact O-CD2 3.37Å; T251-L279 VanDerWaalsContact C-CD2 3.47Å; I255-L279 HydrophobicContact CD1-CD2 4.49Å; I255-L279 HydrophobicContact CG1-CB 4.09Å; I255-L279 HydrophobicContact CG1-CD2 3.78Å; I255-L279 HydrophobicContact CG1-CG 4.4Å; L270-L279 HydrophobicContact CD2-CD1 4.45Å; Q275-L279 WeakPolarHBondContact O-CG 3.33Å; Q275-L279 PolarHBondContact O-N 3.36Å; Q276-L279 PolarHBondContact O-N 2.97Å; L279-T282 PolarHBondContact O-N 2.94Å; L279-W283 PolarHBondContact O-N 3.48Å; L279-I309 HydrophobicContact CB-CD1 3.9Å; L279-I309 HydrophobicContact CD1-CD1 3.93Å
280	E	92.9	Very high	80.9	Confident	71 Å²	71	63.7 Å²	63.7	33%	0.332	34%	0.341	S	S	.	.	H	α-helix	trans	-62.9	-46.1	177.5	-71.2	172.9	175.6	0	0	111.7	Q276 T282 W283 H284 L307 I309	Q276-E280 HydrophobicContact CG-CG 4.37Å; Q276-E280 WeakPolarHBondContact CG-OE1 3.22Å; Q276-E280 PolarHBondContact NE2-OE1 3.39Å; Q276-E280 WeakPolarHBondContact O-CG 3.34Å; Q276-E280 PolarHBondContact O-N 3.21Å; E280-T282 VanDerWaalsContact C-N 3.29Å; E280-T282 PolarHBondContact O-N 2.75Å; E280-W283 WeakPolarHBondContact O-CB 3.44Å; E280-W283 PolarHBondContact O-N 2.74Å; E280-H284 PolarHBondContact O-CD2 3.2Å; E280-H284 PolarHBondContact O-N 3.37Å; E280-L307 HydrophobicContact CG-CD2 4.4Å; E280-I309 HydrophobicContact CG-CG1 4.34Å
281	A	92.9	Very high	78.7	Confident	60 Å²	60	63.4 Å²	63.4	50%	0.496	35%	0.354	S	S	.	.	H	α-helix	trans	-59.3	-41.7	177.6	0	0	0	0	0	111.9	S277 H284 K285	S277-A281 WeakPolarHBondContact O-CB 3.29Å; S277-A281 PolarHBondContact O-N 2.73Å; A281-H284 PolarHBondContact O-N 2.75Å; A281-K285 WeakPolarHBondContact O-CB 3.49Å; A281-K285 PolarHBondContact O-N 3.07Å
282	T	92.5	Very high	76.6	Confident	23 Å²	23	70 Å²	70	14%	0.141	38%	0.378	C	S	.	.	H	α-helix	trans	-62.3	-46.3	176.7	-62.1	0	0	0	0	111.2	S252 I255 A256 G278 L279 E280 H284 K285 Y286	S252-T282 WeakPolarHBondContact CB-OG1 3.34Å; S252-T282 WeakPolarHBondContact O-CG2 3.38Å; S252-T282 PolarHBondContact OG-OG1 3.38Å; I255-T282 HydrophobicContact CB-CG2 4.21Å; I255-T282 HydrophobicContact CG2-CG2 4.23Å; A256-T282 HydrophobicContact CB-CG2 4.03Å; G278-T282 WeakPolarHBondContact O-CB 3.27Å; G278-T282 PolarHBondContact O-N 3.25Å; G278-T282 PolarHBondContact O-OG1 2.98Å; L279-T282 PolarHBondContact O-N 2.94Å; E280-T282 VanDerWaalsContact C-N 3.29Å; E280-T282 PolarHBondContact O-N 2.75Å; T282-H284 VanDerWaalsContact C-N 3.32Å; T282-H284 PolarHBondContact O-N 2.91Å; T282-K285 PolarHBondContact O-N 3.28Å; T282-Y286 HydrophobicContact CG2-CD2 4.11Å; T282-Y286 HydrophobicContact CG2-CE2 4.08Å; T282-Y286 WeakPolarHBondContact O-CD2 3.26Å; T282-Y286 PolarHBondContact O-N 3.21Å
283	W	91.4	Very high	74.5	Confident	22 Å²	22	75.1 Å²	75.1	8%	0.083	40%	0.401	C	S	.	.	H	α-helix	trans	-59	-41.6	178.3	-176.1	-100.9	0	0	0	113.5	I255 K259 C266 L279 E280 S287 S305 K306 L307	I255-W283 HydrophobicContact CG2-CB 3.77Å; I255-W283 HydrophobicContact CG2-CD2 4.4Å; I255-W283 HydrophobicContact CG2-CE3 3.68Å; K259-W283 HydrophobicContact CB-CE3 4.23Å; K259-W283 HydrophobicContact CB-CZ3 4.09Å; K259-W283 HydrophobicContact CD-CE3 4.28Å; K259-W283 HydrophobicContact CD-CH2 4.17Å; K259-W283 HydrophobicContact CD-CZ2 4.38Å; K259-W283 HydrophobicContact CD-CZ3 4.1Å; C266-W283 HydrophobicContact CB-CE3 4.23Å; C266-W283 HydrophobicContact CB-CH2 3.8Å; C266-W283 HydrophobicContact CB-CZ3 3.4Å; L279-W283 PolarHBondContact O-N 3.48Å; E280-W283 WeakPolarHBondContact O-CB 3.44Å; E280-W283 PolarHBondContact O-N 2.74Å; W283-S287 PolarHBondContact O-N 3.26Å; W283-S287 PolarHBondContact O-OG 3.46Å; W283-S305 WeakPolarHBondContact CZ2-O 3.46Å; W283-K306 VanDerWaalsContact CZ2-C 3.46Å; W283-L307 HydrophobicContact CB-CD2 3.64Å; W283-L307 HydrophobicContact CD2-CB 3.63Å; W283-L307 HydrophobicContact CD2-CD2 4.24Å; W283-L307 HydrophobicContact CD2-CG 4.38Å; W283-L307 HydrophobicContact CE3-CB 4.14Å; W283-L307 HydrophobicContact CE3-CD1 4.48Å; W283-L307 HydrophobicContact CG-CB 3.86Å; W283-L307 HydrophobicContact CG-CD2 3.74Å; W283-L307 HydrophobicContact CG-CG 4.36Å; W283-L307 HydrophobicContact CH2-CB 4.47Å; W283-L307 HydrophobicContact CZ2-CB 4.05Å
284	H	89.3	Confident	72.1	Confident	120 Å²	120	80 Å²	80	56%	0.556	43%	0.427	S	S	*	.	H	α-helix	trans	-70	-41.9	178.3	-69.9	-54.7	0	0	0	112.5	E280 A281 T282 Y286 S287 E288	E280-H284 PolarHBondContact O-CD2 3.2Å; E280-H284 PolarHBondContact O-N 3.37Å; A281-H284 PolarHBondContact O-N 2.75Å; T282-H284 VanDerWaalsContact C-N 3.32Å; T282-H284 PolarHBondContact O-N 2.91Å; H284-Y286 VanDerWaalsContact C-N 3.28Å; H284-Y286 PolarHBondContact O-N 2.82Å; H284-S287 WeakPolarHBondContact O-CB 3.37Å; H284-S287 PolarHBondContact O-N 3.22Å; H284-E288 PolarHBondContact O-N 3.22Å
285	K	86.7	Confident	69.8	Low	141 Å²	141	86.9 Å²	86.9	61%	0.613	46%	0.46	S	S	*	.	H	α-helix	trans	-54.9	-42.8	178.4	-178.7	-179.4	177.5	-178.1	0	112.6	A281 T282 S287	A281-K285 WeakPolarHBondContact O-CB 3.49Å; A281-K285 PolarHBondContact O-N 3.07Å; T282-K285 PolarHBondContact O-N 3.28Å; K285-S287 VanDerWaalsContact C-N 3.34Å
286	Y	74.5	Confident	67.4	Low	62 Å²	62	87.6 Å²	87.6	24%	0.243	47%	0.468	C	S	.	.	H	α-helix	trans	-80.6	-14.2	179.8	-77	-92.8	0	0	0	113.4	A256 N260 T282 H284 I289	A256-Y286 HydrophobicContact CB-CD2 4.24Å; A256-Y286 HydrophobicContact CB-CE2 3.7Å; N260-Y286 VanDerWaalsContact OD1-CD1 3.27Å; N260-Y286 WeakPolarHBondContact OD1-CD1 3.48Å; N260-Y286 WeakPolarHBondContact OD1-CE1 3.45Å; T282-Y286 HydrophobicContact CG2-CD2 4.11Å; T282-Y286 HydrophobicContact CG2-CE2 4.08Å; T282-Y286 WeakPolarHBondContact O-CD2 3.26Å; T282-Y286 PolarHBondContact O-N 3.21Å; H284-Y286 VanDerWaalsContact C-N 3.28Å; H284-Y286 PolarHBondContact O-N 2.82Å; Y286-I289 HydrophobicContact CD1-CD1 4.37Å
287	S	62.4	Low	64.7	Low	39 Å²	39	87.4 Å²	87.4	27%	0.273	49%	0.491	S	S	.	.	H	α-helix	trans	-74.9	-30.3	174	-61.8	0	0	0	0	112.7	W283 H284 K285 I289	W283-S287 PolarHBondContact O-N 3.26Å; W283-S287 PolarHBondContact O-OG 3.46Å; H284-S287 WeakPolarHBondContact O-CB 3.37Å; H284-S287 PolarHBondContact O-N 3.22Å; K285-S287 VanDerWaalsContact C-N 3.34Å; S287-I289 VanDerWaalsContact C-N 3.35Å
288	E	52.2	Low	61.9	Low	144 Å²	144	88 Å²	88	67%	0.673	50%	0.501	S	S	*	.	H	α-helix	trans	-71.9	-28.3	178.2	-66.8	-173.5	173.6	0	0	113.2	H284 G291 K292	H284-E288 PolarHBondContact O-N 3.22Å; E288-G291 PolarHBondContact O-N 3.41Å; E288-K292 PolarHBondContact O-N 3.4Å
289	I	53.3	Low	58.9	Low	90 Å²	90	96.9 Å²	96.9	46%	0.462	53%	0.532	S	S	.	.	H	α-helix	trans	-70.2	-37	-179.5	-58.9	174.6	0	0	0	110.5	Y286 S287 G291 K292	Y286-I289 HydrophobicContact CD1-CD1 4.37Å; S287-I289 VanDerWaalsContact C-N 3.35Å; I289-G291 VanDerWaalsContact C-N 3.28Å; I289-G291 PolarHBondContact O-N 3.07Å; I289-K292 PolarHBondContact O-N 3.35Å
290	E	43.1	Very low	55.9	Low	75 Å²	75	100.9 Å²	100.9	35%	0.35	56%	0.56	S	S	.	*	H	α-helix	trans	-63.2	-34.6	173.6	-68.5	-173.6	124.5	0	0	112.4	K259 N262 K292	K259-E290 WeakPolarHBondContact CE-OE2 3.35Å; K259-E290 IonicContact NZ-OE2 2.95Å; K259-E290 PolarHBondContact NZ-OE2 3.27Å; N262-E290 PolarHBondContact OD1-OE1 2.86Å; E290-K292 VanDerWaalsContact C-N 3.34Å; E290-K292 PolarHBondContact O-N 3.29Å
291	G	40.2	Very low	53	Low	59 Å²	59	108.9 Å²	108.9	61%	0.608	59%	0.588	S	S	*	*	H	α-helix	trans	-68	-29.5	179.8	0	0	0	0	0	114	E288 I289	E288-G291 PolarHBondContact O-N 3.41Å; I289-G291 VanDerWaalsContact C-N 3.28Å; I289-G291 PolarHBondContact O-N 3.07Å
292	K	40	Very low	50.4	Low	169 Å²	169	111.7 Å²	111.7	74%	0.735	60%	0.595	S	S	*	*	H	α-helix	trans	-82.4	-23.3	-179.7	-75.3	-177.9	177.9	173.3	0	113.8	E288 I289 E290	E288-K292 PolarHBondContact O-N 3.4Å; I289-K292 PolarHBondContact O-N 3.35Å; E290-K292 VanDerWaalsContact C-N 3.34Å; E290-K292 PolarHBondContact O-N 3.29Å
293	N	41.3	Very low	48.3	Very low	131 Å²	131	115.3 Å²	115.3	70%	0.701	62%	0.622	S	S	*	*	H	α-helix	trans	-92.2	-13.3	-176.8	-72.1	-12	0	0	0	114.1	L295	N293-L295 PolarHBondContact O-N 3.06Å
294	N	34.6	Very low	46.9	Very low	125 Å²	125	122.8 Å²	122.8	67%	0.668	66%	0.655	S	S	*	*			trans	-96.7	51.1	-176.1	-79.5	-24.6	0	0	0	114.2	N296	N294-N296 VanDerWaalsContact C-N 3.28Å; N294-N296 PolarHBondContact O-N 3.34Å
295	L	34	Very low	46.1	Very low	159 Å²	159	118.4 Å²	118.4	83%	0.832	64%	0.637	S	S	*	*			trans	-80.3	1	171.1	-86.1	169.5	0	0	0	114.7	N293	N293-L295 PolarHBondContact O-N 3.06Å
296	N	34.9	Very low	46.1	Very low	153 Å²	153	117.5 Å²	117.5	82%	0.818	63%	0.633	S	S	*	*	S	Bend	trans	-112.9	114.2	177.5	-70.1	-24	0	0	0	111.1	N294 A298	N294-N296 VanDerWaalsContact C-N 3.28Å; N294-N296 PolarHBondContact O-N 3.34Å; N296-A298 PolarHBondContact O-N 3.03Å
297	G	30.8	Very low	47	Very low	89 Å²	89	116.1 Å²	116.1	92%	0.918	63%	0.63	S	S	*	*			trans	-63.2	112.9	-172	0	0	0	0	0	114.2
298	A	30.4	Very low	48.4	Very low	89 Å²	89	117.8 Å²	117.8	74%	0.736	63%	0.634	S	S	*	*			trans	-146.4	109.9	148.9	0	0	0	0	0	107.4	N296 S300	N296-A298 PolarHBondContact O-N 3.03Å; A298-S300 PolarHBondContact O-N 3.48Å
299	K	27.9	Very low	50.1	Low	213 Å²	213	112.9 Å²	112.9	93%	0.926	61%	0.611	S	S	*	*			trans	-70.8	78.1	176.1	-71.4	179	177.3	177.3	0	109.2
300	S	29.4	Very low	51.3	Low	84 Å²	84	109.3 Å²	109.3	59%	0.587	59%	0.594	S	S	*	*			trans	-70.6	129.3	160.9	179	0	0	0	0	107.8	A298 N302	A298-S300 PolarHBondContact O-N 3.48Å; S300-N302 WeakPolarHBondContact CB-OD1 3.43Å; S300-N302 PolarHBondContact O-N 3.09Å; S300-N302 PolarHBondContact OG-OD1 2.75Å
301	Y	30.5	Very low	52.7	Low	239 Å²	239	109.4 Å²	109.4	94%	0.937	60%	0.601	S	S	*	*			trans	-66.5	72.1	170.7	-87.9	-97.3	0	0	0	108.7	S303	Y301-S303 PolarHBondContact O-N 3.2Å; Y301-S303 VanDerWaalsContact O-N 3.1Å
302	N	39.2	Very low	54.6	Low	119 Å²	119	107.6 Å²	107.6	64%	0.636	58%	0.579	S	S	*	*			trans	-69.6	108.5	176.9	-75.9	1.4	0	0	0	107.7	S300 K304	S300-N302 WeakPolarHBondContact CB-OD1 3.43Å; S300-N302 PolarHBondContact O-N 3.09Å; S300-N302 PolarHBondContact OG-OD1 2.75Å; N302-K304 VanDerWaalsContact C-N 3.33Å; N302-K304 PolarHBondContact O-N 2.84Å
303	S	47.4	Very low	56.7	Low	100 Å²	100	99.6 Å²	99.6	70%	0.699	54%	0.544	S	S	*	.			trans	-51.5	103.5	157.7	179	0	0	0	0	106.7	Y301 S305	Y301-S303 PolarHBondContact O-N 3.2Å; Y301-S303 VanDerWaalsContact O-N 3.1Å; S303-S305 PolarHBondContact O-N 2.93Å
304	K	62.5	Low	58.2	Low	179 Å²	179	95.3 Å²	95.3	78%	0.778	53%	0.531	S	S	*	.			trans	-56.4	118.2	-179.5	-85.5	-177	174.2	-179	0	107.5	N302 K306	N302-K304 VanDerWaalsContact C-N 3.33Å; N302-K304 PolarHBondContact O-N 2.84Å; K304-K306 WeakPolarHBondContact O-CG 3.31Å; K304-K306 PolarHBondContact O-N 3.05Å
305	S	72.7	Confident	60.3	Low	27 Å²	27	93.9 Å²	93.9	19%	0.189	52%	0.52	C	S	.	.			trans	-48.6	138.2	166.8	40	0	0	0	0	109.1	L263 W283 S303	L263-S305 VanDerWaalsContact O-CB 3.25Å; L263-S305 WeakPolarHBondContact O-CB 3.44Å; W283-S305 WeakPolarHBondContact CZ2-O 3.46Å; S303-S305 PolarHBondContact O-N 2.93Å
306	K	86.8	Confident	62.6	Low	122 Å²	122	86.3 Å²	86.3	53%	0.53	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	145.7	-174.4	-63.6	-178.1	-177	174.1	0	110.5	L265 C266 W283 K304	L265-K306 HydrophobicContact CD1-CB 4.04Å; C266-K306 PolarHBondContact N-O 2.67Å; W283-K306 VanDerWaalsContact CZ2-C 3.46Å; K304-K306 WeakPolarHBondContact O-CG 3.31Å; K304-K306 PolarHBondContact O-N 3.05Å
307	L	92.7	Very high	64.6	Low	34 Å²	34	80.5 Å²	80.5	18%	0.178	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.4	166.6	176.2	67.6	0	0	0	109.1	I255 C266 E280 W283 I309	I255-L307 HydrophobicContact CD1-CD1 3.88Å; C266-L307 HydrophobicContact CB-CD1 4.18Å; C266-L307 CarbonylContact O-C 3.54Å; C266-L307 VanDerWaalsContact O-CA 3.31Å; C266-L307 WeakPolarHBondContact O-CA 3.46Å; E280-L307 HydrophobicContact CG-CD2 4.4Å; W283-L307 HydrophobicContact CB-CD2 3.64Å; W283-L307 HydrophobicContact CD2-CB 3.63Å; W283-L307 HydrophobicContact CD2-CD2 4.24Å; W283-L307 HydrophobicContact CD2-CG 4.38Å; W283-L307 HydrophobicContact CE3-CB 4.14Å; W283-L307 HydrophobicContact CE3-CD1 4.48Å; W283-L307 HydrophobicContact CG-CB 3.86Å; W283-L307 HydrophobicContact CG-CD2 3.74Å; W283-L307 HydrophobicContact CG-CG 4.36Å; W283-L307 HydrophobicContact CH2-CB 4.47Å; W283-L307 HydrophobicContact CZ2-CB 4.05Å; L307-I309 HydrophobicContact CD1-CD1 3.94Å; L307-I309 HydrophobicContact CD2-CD1 4.07Å; L307-I309 HydrophobicContact CD2-CG1 4.47Å; L307-I309 HydrophobicContact CG-CD1 4.08Å
308	H	92.2	Very high	66.5	Low	74 Å²	74	79.5 Å²	79.5	34%	0.343	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.2	164	-76.1	-101.3	0	0	0	109.2	C266 I267 G268 L319	C266-H308 PolarHBondContact O-N 3.43Å; I267-H308 CarbonylContact C-O 3.55Å; I267-H308 VanDerWaalsContact CA-O 3.29Å; I267-H308 WeakPolarHBondContact CA-O 3.4Å; G268-H308 PolarHBondContact N-O 3.47Å; H308-L319 HydrophobicContact CB-CD1 3.69Å
309	I	87.3	Confident	68.8	Low	40 Å²	40	77.4 Å²	77.4	21%	0.205	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.6	171.8	-56.6	-59.2	0	0	0	108.3	G268 L270 Q276 L279 E280 L307	G268-I309 CarbonylContact O-C 3.58Å; G268-I309 WeakPolarHBondContact O-CA 3.02Å; L270-I309 HydrophobicContact CD1-CG2 3.89Å; L270-I309 HydrophobicContact CD2-CG2 3.76Å; L270-I309 HydrophobicContact CG-CG2 3.74Å; Q276-I309 HydrophobicContact CB-CG2 4.43Å; Q276-I309 HydrophobicContact CG-CG1 4.41Å; Q276-I309 HydrophobicContact CG-CG2 4.1Å; L279-I309 HydrophobicContact CB-CD1 3.9Å; L279-I309 HydrophobicContact CD1-CD1 3.93Å; E280-I309 HydrophobicContact CG-CG1 4.34Å; L307-I309 HydrophobicContact CD1-CD1 3.94Å; L307-I309 HydrophobicContact CD2-CD1 4.07Å; L307-I309 HydrophobicContact CD2-CG1 4.47Å; L307-I309 HydrophobicContact CG-CD1 4.08Å
310	V	80.1	Confident	71.5	Confident	15 Å²	15	67.2 Å²	67.2	9%	0.091	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	158	-179.5	-59.3	0	0	0	0	111.5	I267 G268 V269 L270 S312 H315 I316 L319	I267-V310 HydrophobicContact CG2-CG1 4.24Å; I267-V310 HydrophobicContact CG2-CG2 3.65Å; G268-V310 PolarHBondContact O-N 3.23Å; V269-V310 WeakPolarHBondContact CA-O 2.83Å; V269-V310 HydrophobicContact CG1-CG2 3.86Å; L270-V310 PolarHBondContact N-O 3.33Å; V310-S312 VanDerWaalsContact C-N 3.34Å; V310-S312 WeakPolarHBondContact CG2-O 3.5Å; V310-S312 PolarHBondContact O-N 2.81Å; V310-H315 HydrophobicContact CB-CB 3.95Å; V310-H315 HydrophobicContact CG1-CB 4.42Å; V310-H315 HydrophobicContact CG2-CB 4.25Å; V310-I316 HydrophobicContact CG2-CG2 4.43Å; V310-L319 HydrophobicContact CG1-CD1 3.57Å
311	P	72.2	Confident	73.7	Confident	78 Å²	78	63.6 Å²	63.6	51%	0.506	33%	0.333	S	S	.	.	S	Bend	trans	-61.6	-38.2	-177.4	-25.2	35.1	0	0	0	114.2	L270 S271	L270-P311 CarbonylContact C-O 3.55Å; L270-P311 PolarHBondContact N-O 3.48Å; S271-P311 PolarHBondContact N-O 3.23Å; S271-P311 VanDerWaalsContact N-O 3.11Å
312	S	80.6	Confident	75.3	Confident	21 Å²	21	55.4 Å²	55.4	15%	0.147	31%	0.309	C	S	.	.	S	Bend	trans	-159.9	170.7	-179.2	71.9	0	0	0	0	111.3	V310 G314 H315	V310-S312 VanDerWaalsContact C-N 3.34Å; V310-S312 WeakPolarHBondContact CG2-O 3.5Å; V310-S312 PolarHBondContact O-N 2.81Å; S312-G314 PolarHBondContact O-N 2.87Å; S312-G314 VanDerWaalsContact O-N 3.11Å; S312-G314 PolarHBondContact OG-N 3.05Å; S312-H315 WeakPolarHBondContact O-CB 3.46Å; S312-H315 PolarHBondContact O-N 3.49Å; S312-H315 PolarHBondContact O-ND1 2.77Å; S312-H315 PolarHBondContact OG-ND1 3.28Å; S312-H315 VanDerWaalsContact OG-ND1 3.09Å
313	V	83.3	Confident	76.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-56.7	-25.4	175.5	77.8	0	0	0	0	113.5	F69 T74 I75 A171 I173 M176 V248 H315 I316	F69-V313 HydrophobicContact CD1-CG2 4Å; F69-V313 HydrophobicContact CE1-CG2 3.75Å; T74-V313 HydrophobicContact CG2-CG2 4.24Å; T74-V313 WeakPolarHBondContact O-CB 3.25Å; T74-V313 VanDerWaalsContact O-CG1 3.25Å; T74-V313 WeakPolarHBondContact O-CG1 3.36Å; I75-V313 HydrophobicContact CG2-CG2 4.33Å; A171-V313 HydrophobicContact CB-CG1 3.94Å; I173-V313 HydrophobicContact CD1-CG1 3.55Å; M176-V313 HydrophobicContact CE-CG2 3.74Å; M176-V313 HydrophobicContact SD-CG1 4.49Å; M176-V313 HydrophobicContact SD-CG2 3.7Å; M176-V313 VanDerWaalsContact SD-O 3.36Å; V248-V313 HydrophobicContact CG1-CG2 4.19Å; V313-H315 PolarHBondContact O-N 2.94Å; V313-I316 HydrophobicContact CG2-CD1 4.23Å; V313-I316 HydrophobicContact CG2-CG2 4.47Å; V313-I316 WeakPolarHBondContact O-CG1 3.44Å; V313-I316 WeakPolarHBondContact O-CG2 3.45Å; V313-I316 PolarHBondContact O-N 3.37Å
314	G	73	Confident	76.3	Confident	41 Å²	41	49.5 Å²	49.5	42%	0.423	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-63.3	-11.8	175.8	0	0	0	0	0	114.7	S312	S312-G314 PolarHBondContact O-N 2.87Å; S312-G314 VanDerWaalsContact O-N 3.11Å; S312-G314 PolarHBondContact OG-N 3.05Å
315	H	78	Confident	75.2	Confident	96 Å²	96	47.6 Å²	47.6	44%	0.444	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-102.6	4.5	-176.7	-62.2	83.4	0	0	0	113.8	V310 S312 V313	V310-H315 HydrophobicContact CB-CB 3.95Å; V310-H315 HydrophobicContact CG1-CB 4.42Å; V310-H315 HydrophobicContact CG2-CB 4.25Å; S312-H315 WeakPolarHBondContact O-CB 3.46Å; S312-H315 PolarHBondContact O-N 3.49Å; S312-H315 PolarHBondContact O-ND1 2.77Å; S312-H315 PolarHBondContact OG-ND1 3.28Å; S312-H315 VanDerWaalsContact OG-ND1 3.09Å; V313-H315 PolarHBondContact O-N 2.94Å
316	I	82.2	Confident	73.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.284	C	S	.	.			trans	-79.7	-26.6	-172.9	72.3	176	0	0	0	114	F69 M176 V248 I267 V310 V313 L319 V320	F69-I316 HydrophobicContact CE1-CD1 3.49Å; F69-I316 VanDerWaalsContact CE1-CD1 3.49Å; F69-I316 HydrophobicContact CZ-CD1 3.8Å; M176-I316 HydrophobicContact CE-CD1 4.45Å; M176-I316 HydrophobicContact SD-CD1 3.64Å; M176-I316 HydrophobicContact SD-CG1 3.87Å; V248-I316 HydrophobicContact CG1-CG2 4.01Å; V248-I316 HydrophobicContact CG2-CD1 4.08Å; V248-I316 HydrophobicContact CG2-CG2 4.37Å; I267-I316 HydrophobicContact CD1-CB 3.98Å; I267-I316 HydrophobicContact CD1-CG2 4.08Å; I267-I316 HydrophobicContact CG2-CG2 4.03Å; V310-I316 HydrophobicContact CG2-CG2 4.43Å; V313-I316 HydrophobicContact CG2-CD1 4.23Å; V313-I316 HydrophobicContact CG2-CG2 4.47Å; V313-I316 WeakPolarHBondContact O-CG1 3.44Å; V313-I316 WeakPolarHBondContact O-CG2 3.45Å; V313-I316 PolarHBondContact O-N 3.37Å; I316-L319 WeakPolarHBondContact O-CA 3.38Å; I316-L319 WeakPolarHBondContact O-CB 3.17Å; I316-L319 PolarHBondContact O-N 3Å; I316-V320 HydrophobicContact CB-CG2 4.31Å; I316-V320 HydrophobicContact CG1-CG2 4.43Å; I316-V320 WeakPolarHBondContact O-CG2 3.46Å; I316-V320 PolarHBondContact O-N 3.43Å
317	L	78.3	Confident	70.5	Confident	30 Å²	30	48.8 Å²	48.8	16%	0.157	28%	0.277	C	S	.	.	H	α-helix	trans	-56.7	-44.5	-170.4	-69.3	174.4	0	0	0	112.6	M176 T179 L180 L319 V320 L321	M176-L317 HydrophobicContact CG-CD1 4.48Å; M176-L317 HydrophobicContact CG-CD2 4.16Å; M176-L317 HydrophobicContact CG-CG 4.23Å; T179-L317 HydrophobicContact CG2-CD1 4Å; T179-L317 HydrophobicContact CG2-CD2 4.02Å; L180-L317 HydrophobicContact CD2-CD2 3.78Å; L180-L317 HydrophobicContact CG-CD2 3.96Å; L317-L319 PolarHBondContact O-N 3.01Å; L317-V320 PolarHBondContact O-N 3.26Å; L317-L321 HydrophobicContact CD2-CD1 4.16Å; L317-L321 CarbonylContact O-C 3.5Å; L317-L321 WeakPolarHBondContact O-CA 3.34Å; L317-L321 VanDerWaalsContact O-CB 3.28Å; L317-L321 WeakPolarHBondContact O-CB 3.44Å; L317-L321 PolarHBondContact O-N 3.07Å
318	P	70.5	Confident	68	Low	68 Å²	68	49.1 Å²	49.1	44%	0.442	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-20	176.2	-22.7	35.1	0	0	0	114.6	P322	P318-P322 WeakPolarHBondContact O-CA 3.37Å
319	L	79.1	Confident	65.1	Low	45 Å²	45	51 Å²	51	24%	0.236	28%	0.283	C	S	.	.	H	α-helix	trans	-88.4	-41	178.3	-60.7	177.4	0	0	0	111.8	I267 H308 V310 I316 L317	I267-L319 HydrophobicContact CD1-CB 4.03Å; I267-L319 HydrophobicContact CD1-CD1 4.06Å; I267-L319 HydrophobicContact CG1-CD1 4.39Å; I267-L319 HydrophobicContact CG2-CD1 4.3Å; H308-L319 HydrophobicContact CB-CD1 3.69Å; V310-L319 HydrophobicContact CG1-CD1 3.57Å; I316-L319 WeakPolarHBondContact O-CA 3.38Å; I316-L319 WeakPolarHBondContact O-CB 3.17Å; I316-L319 PolarHBondContact O-N 3Å; L317-L319 PolarHBondContact O-N 3.01Å
320	V	84.5	Confident	62.3	Low	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-76.6	-33.7	178.5	-177.8	0	0	0	0	110.9	Y64 V67 L180 I185 V246 I267 I316 L317 P322	Y64-V320 HydrophobicContact CD2-CG1 4.5Å; V67-V320 HydrophobicContact CG2-CG1 3.79Å; V67-V320 HydrophobicContact CG2-CG2 4.31Å; L180-V320 HydrophobicContact CD2-CB 4.32Å; L180-V320 HydrophobicContact CD2-CG1 3.79Å; I185-V320 HydrophobicContact CD1-CG1 3.65Å; V246-V320 HydrophobicContact CG1-CG2 4.26Å; V246-V320 HydrophobicContact CG2-CG1 4.34Å; V246-V320 HydrophobicContact CG2-CG2 4.32Å; I267-V320 HydrophobicContact CD1-CG2 3.95Å; I316-V320 HydrophobicContact CB-CG2 4.31Å; I316-V320 HydrophobicContact CG1-CG2 4.43Å; I316-V320 WeakPolarHBondContact O-CG2 3.46Å; I316-V320 PolarHBondContact O-N 3.43Å; L317-V320 PolarHBondContact O-N 3.26Å; V320-P322 VanDerWaalsContact C-CD 3.47Å; V320-P322 WeakPolarHBondContact O-CD 3.34Å
321	L	75	Confident	60.2	Low	8 Å²	8	57.8 Å²	57.8	4%	0.042	32%	0.316	C	S	.	.			trans	-123.2	69.7	180	-60.4	168.1	0	0	0	108.8	P62 L180 H183 I185 L317 D323 L324	P62-L321 HydrophobicContact CB-CD2 4.46Å; L180-L321 HydrophobicContact CD2-CD1 4.31Å; H183-L321 HydrophobicContact CB-CD1 4.32Å; H183-L321 HydrophobicContact CB-CD2 3.75Å; H183-L321 VanDerWaalsContact CE1-CD1 3.5Å; H183-L321 WeakPolarHBondContact CE1-CD1 3.43Å; I185-L321 HydrophobicContact CD1-CD2 3.46Å; I185-L321 VanDerWaalsContact CD1-CD2 3.46Å; I185-L321 HydrophobicContact CD1-CG 4.11Å; L317-L321 HydrophobicContact CD2-CD1 4.16Å; L317-L321 CarbonylContact O-C 3.5Å; L317-L321 WeakPolarHBondContact O-CA 3.34Å; L317-L321 VanDerWaalsContact O-CB 3.28Å; L317-L321 WeakPolarHBondContact O-CB 3.44Å; L317-L321 PolarHBondContact O-N 3.07Å; L321-D323 PolarHBondContact O-N 2.92Å; L321-D323 VanDerWaalsContact O-N 3.12Å; L321-L324 HydrophobicContact CB-CB 4.17Å; L321-L324 HydrophobicContact CB-CD1 3.88Å; L321-L324 HydrophobicContact CD1-CD1 3.69Å; L321-L324 HydrophobicContact CG-CD1 4.44Å; L321-L324 WeakPolarHBondContact O-CB 3.43Å; L321-L324 PolarHBondContact O-N 3.46Å
322	P	63.9	Low	58.5	Low	67 Å²	67	56.2 Å²	56.2	44%	0.435	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-61.5	-25.4	-177.9	25.1	-34.3	0	0	0	113.3	P318 V320 L324	P318-P322 WeakPolarHBondContact O-CA 3.37Å; V320-P322 VanDerWaalsContact C-CD 3.47Å; V320-P322 WeakPolarHBondContact O-CD 3.34Å; P322-L324 PolarHBondContact O-N 3.26Å
323	D	55.6	Low	56.5	Low	62 Å²	62	57.9 Å²	57.9	33%	0.332	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-77.5	-0.7	174.8	-74.2	-26.2	0	0	0	113.5	R60 L321 N325 Q326	R60-D323 WeakPolarHBondContact CD-OD2 3.25Å; R60-D323 IonicContact NH1-OD1 3.28Å; R60-D323 PolarHBondContact NH1-OD1 3.03Å; R60-D323 IonicContact NH1-OD2 2.79Å; R60-D323 PolarHBondContact NH1-OD2 3.36Å; L321-D323 PolarHBondContact O-N 2.92Å; L321-D323 VanDerWaalsContact O-N 3.12Å; D323-N325 PolarHBondContact O-N 2.8Å; D323-N325 VanDerWaalsContact O-N 3.17Å; D323-Q326 PolarHBondContact O-N 3.06Å; D323-Q326 VanDerWaalsContact O-N 3.16Å
324	L	51.9	Low	54.5	Low	33 Å²	33	61.7 Å²	61.7	17%	0.173	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-59.9	-25.1	175.1	-151.2	105.5	0	0	0	111.4	L56 L321 P322 Q326	L56-L324 HydrophobicContact CB-CD1 4.38Å; L56-L324 HydrophobicContact CB-CG 4.24Å; L56-L324 HydrophobicContact CD1-CD2 4.19Å; L56-L324 HydrophobicContact CD1-CG 4.1Å; L321-L324 HydrophobicContact CB-CB 4.17Å; L321-L324 HydrophobicContact CB-CD1 3.88Å; L321-L324 HydrophobicContact CD1-CD1 3.69Å; L321-L324 HydrophobicContact CG-CD1 4.44Å; L321-L324 WeakPolarHBondContact O-CB 3.43Å; L321-L324 PolarHBondContact O-N 3.46Å; P322-L324 PolarHBondContact O-N 3.26Å; L324-Q326 CarbonylContact O-C 3.59Å; L324-Q326 PolarHBondContact O-N 3.07Å; L324-Q326 VanDerWaalsContact O-N 3.16Å
325	N	38.7	Very low	53.2	Low	138 Å²	138	66.6 Å²	66.6	74%	0.738	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-71.3	4.3	176.6	-82.6	-8	0	0	0	115.2	D323 P327	D323-N325 PolarHBondContact O-N 2.8Å; D323-N325 VanDerWaalsContact O-N 3.17Å; N325-P327 WeakPolarHBondContact O-CD 3.13Å
326	Q	33.8	Very low	52	Low	116 Å²	116	66.6 Å²	66.6	54%	0.542	35%	0.349	S	S	.	.	S	Bend	trans	-91	99.1	153.9	-66.7	-160.8	-4.1	0	0	106.9	D323 L324 I328 V331	D323-Q326 PolarHBondContact O-N 3.06Å; D323-Q326 VanDerWaalsContact O-N 3.16Å; L324-Q326 CarbonylContact O-C 3.59Å; L324-Q326 PolarHBondContact O-N 3.07Å; L324-Q326 VanDerWaalsContact O-N 3.16Å; Q326-I328 PolarHBondContact O-N 3.36Å; Q326-I328 VanDerWaalsContact O-N 3.14Å; Q326-V331 HydrophobicContact CB-CG2 3.99Å
327	P	28.7	Very low	50.9	Low	59 Å²	59	75 Å²	75	38%	0.383	38%	0.381	S	S	.	.			trans	-51.5	132	175	-17.9	26.3	0	0	0	107	N325 R329 H330 V331	N325-P327 WeakPolarHBondContact O-CD 3.13Å; P327-R329 HydrophobicContact CB-CB 4.32Å; P327-R329 CarbonylContact O-C 3.47Å; P327-R329 PolarHBondContact O-N 3.21Å; P327-R329 VanDerWaalsContact O-N 3.11Å; P327-H330 HydrophobicContact CB-CB 4.43Å; P327-H330 HydrophobicContact CG-CB 4.42Å; P327-H330 CarbonylContact O-C 3.4Å; P327-H330 WeakPolarHBondContact O-CA 3.22Å; P327-H330 WeakPolarHBondContact O-CB 3.5Å; P327-H330 PolarHBondContact O-N 2.9Å; P327-V331 PolarHBondContact O-N 2.68Å; P327-V331 VanDerWaalsContact O-N 3.1Å
328	I	40.2	Very low	50.1	Low	41 Å²	41	74.4 Å²	74.4	21%	0.21	38%	0.378	C	S	.	.	H	α-helix	trans	-57.6	-23.9	168.4	-86.4	-173.2	0	0	0	109.1	L56 V57 Q326 H330 V331 L332 L333	L56-I328 HydrophobicContact CD2-CB 3.44Å; L56-I328 VanDerWaalsContact CD2-CB 3.44Å; L56-I328 HydrophobicContact CD2-CD1 4.45Å; L56-I328 HydrophobicContact CD2-CG1 3.92Å; V57-I328 VanDerWaalsContact N-CD1 3.27Å; V57-I328 WeakPolarHBondContact O-CD1 3.22Å; Q326-I328 PolarHBondContact O-N 3.36Å; Q326-I328 VanDerWaalsContact O-N 3.14Å; I328-H330 VanDerWaalsContact C-N 3.28Å; I328-H330 PolarHBondContact O-N 3.17Å; I328-V331 CarbonylContact O-C 3.52Å; I328-V331 PolarHBondContact O-N 3.19Å; I328-L332 HydrophobicContact CB-CD1 4.46Å; I328-L332 HydrophobicContact CB-CG 4.5Å; I328-L332 HydrophobicContact CD1-CD1 4.35Å; I328-L332 HydrophobicContact CG2-CB 3.64Å; I328-L332 HydrophobicContact CG2-CD1 3.17Å; I328-L332 HydrophobicContact CG2-CG 3.43Å; I328-L332 VanDerWaalsContact CG2-CG 3.43Å; I328-L332 VanDerWaalsContact O-CA 3.3Å; I328-L332 WeakPolarHBondContact O-CA 3.31Å; I328-L332 WeakPolarHBondContact O-CB 3.35Å; I328-L332 PolarHBondContact O-N 3.08Å; I328-L333 PolarHBondContact O-N 3.06Å
329	R	29.9	Very low	49.7	Very low	114 Å²	114	76.8 Å²	76.8	43%	0.43	38%	0.379	S	S	.	.	I	π-helix	trans	-55.1	-45.2	163.8	-92.7	-159.4	158.6	179.2	-5.6	112.1	P327 V331 L333 S334	P327-R329 HydrophobicContact CB-CB 4.32Å; P327-R329 CarbonylContact O-C 3.47Å; P327-R329 PolarHBondContact O-N 3.21Å; P327-R329 VanDerWaalsContact O-N 3.11Å; R329-V331 VanDerWaalsContact C-N 3.3Å; R329-V331 PolarHBondContact O-N 3.28Å; R329-L333 HydrophobicContact CB-CD1 3.76Å; R329-L333 HydrophobicContact CB-CG 4.08Å; R329-L333 VanDerWaalsContact CD-CD1 3.41Å; R329-L333 HydrophobicContact CG-CD1 3.33Å; R329-L333 HydrophobicContact CG-CG 3.8Å; R329-L333 CarbonylContact O-C 3.55Å; R329-L333 WeakPolarHBondContact O-CA 3.42Å; R329-L333 WeakPolarHBondContact O-CB 3.46Å; R329-L333 WeakPolarHBondContact O-CG 3.38Å; R329-L333 PolarHBondContact O-N 3.39Å; R329-S334 PolarHBondContact O-N 2.93Å
330	H	29.1	Very low	48.8	Very low	142 Å²	142	78.6 Å²	78.6	66%	0.657	39%	0.386	S	S	*	.	I	π-helix	trans	-77.1	0.3	173.6	-98.6	-113.7	0	0	0	115.7	P327 I328 S334	P327-H330 HydrophobicContact CB-CB 4.43Å; P327-H330 HydrophobicContact CG-CB 4.42Å; P327-H330 CarbonylContact O-C 3.4Å; P327-H330 WeakPolarHBondContact O-CA 3.22Å; P327-H330 WeakPolarHBondContact O-CB 3.5Å; P327-H330 PolarHBondContact O-N 2.9Å; I328-H330 VanDerWaalsContact C-N 3.28Å; I328-H330 PolarHBondContact O-N 3.17Å; H330-S334 VanDerWaalsContact C-OG 3.27Å; H330-S334 WeakPolarHBondContact O-CB 3.25Å; H330-S334 PolarHBondContact O-OG 2.87Å
331	V	35.1	Very low	48	Very low	55 Å²	55	80.3 Å²	80.3	33%	0.333	39%	0.394	S	S	.	.	I	π-helix	trans	-118.4	-41.8	173.8	-178.1	0	0	0	0	112.5	Q326 P327 I328 R329 S334 K335	Q326-V331 HydrophobicContact CB-CG2 3.99Å; P327-V331 PolarHBondContact O-N 2.68Å; P327-V331 VanDerWaalsContact O-N 3.1Å; I328-V331 CarbonylContact O-C 3.52Å; I328-V331 PolarHBondContact O-N 3.19Å; R329-V331 VanDerWaalsContact C-N 3.3Å; R329-V331 PolarHBondContact O-N 3.28Å; V331-S334 VanDerWaalsContact CA-OG 3.25Å; V331-S334 WeakPolarHBondContact CA-OG 3.49Å; V331-S334 PolarHBondContact O-OG 3.27Å; V331-K335 PolarHBondContact O-N 3Å
332	L	37.6	Very low	47.7	Very low	44 Å²	44	82.7 Å²	82.7	23%	0.23	41%	0.406	C	S	.	.	I	π-helix	trans	-86.4	-30	170.1	-65.5	-178.3	0	0	0	114.6	I328 K335 L338 L566	I328-L332 HydrophobicContact CB-CD1 4.46Å; I328-L332 HydrophobicContact CB-CG 4.5Å; I328-L332 HydrophobicContact CD1-CD1 4.35Å; I328-L332 HydrophobicContact CG2-CB 3.64Å; I328-L332 HydrophobicContact CG2-CD1 3.17Å; I328-L332 HydrophobicContact CG2-CG 3.43Å; I328-L332 VanDerWaalsContact CG2-CG 3.43Å; I328-L332 VanDerWaalsContact O-CA 3.3Å; I328-L332 WeakPolarHBondContact O-CA 3.31Å; I328-L332 WeakPolarHBondContact O-CB 3.35Å; I328-L332 PolarHBondContact O-N 3.08Å; L332-K335 CarbonylContact O-C 3.38Å; L332-L338 HydrophobicContact CB-CD2 3.89Å; L332-L338 HydrophobicContact CD1-CD2 3.9Å; L332-L338 HydrophobicContact CG-CD2 4.35Å; L332-L566 HydrophobicContact CD1-CD1 4.31Å
333	L	38.8	Very low	47.8	Very low	56 Å²	56	82.3 Å²	82.3	29%	0.293	41%	0.405	S	S	.	.	I	π-helix	trans	-85.2	-26.8	164	-46.6	174.5	0	0	0	112.2	I328 R329 K335 N336 Y339	I328-L333 PolarHBondContact O-N 3.06Å; R329-L333 HydrophobicContact CB-CD1 3.76Å; R329-L333 HydrophobicContact CB-CG 4.08Å; R329-L333 VanDerWaalsContact CD-CD1 3.41Å; R329-L333 HydrophobicContact CG-CD1 3.33Å; R329-L333 HydrophobicContact CG-CG 3.8Å; R329-L333 CarbonylContact O-C 3.55Å; R329-L333 WeakPolarHBondContact O-CA 3.42Å; R329-L333 WeakPolarHBondContact O-CB 3.46Å; R329-L333 WeakPolarHBondContact O-CG 3.38Å; R329-L333 PolarHBondContact O-N 3.39Å; L333-K335 CarbonylContact O-C 3.38Å; L333-K335 PolarHBondContact O-N 3.16Å; L333-N336 WeakPolarHBondContact O-CA 3.42Å; L333-N336 PolarHBondContact O-N 2.99Å; L333-Y339 HydrophobicContact CD2-CD2 3.76Å; L333-Y339 HydrophobicContact CD2-CG 4.03Å
334	S	40.5	Very low	48.4	Very low	80 Å²	80	85.3 Å²	85.3	56%	0.559	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.5	170.4	72.7	0	0	0	0	111.9	R329 H330 V331 N336	R329-S334 PolarHBondContact O-N 2.93Å; H330-S334 VanDerWaalsContact C-OG 3.27Å; H330-S334 WeakPolarHBondContact O-CB 3.25Å; H330-S334 PolarHBondContact O-OG 2.87Å; V331-S334 VanDerWaalsContact CA-OG 3.25Å; V331-S334 WeakPolarHBondContact CA-OG 3.49Å; V331-S334 PolarHBondContact O-OG 3.27Å; S334-N336 PolarHBondContact O-N 3.47Å; S334-N336 VanDerWaalsContact O-N 3.11Å
335	K	45.6	Very low	49.3	Very low	145 Å²	145	86.9 Å²	86.9	63%	0.63	43%	0.427	S	S	*	.	S	Bend	trans	-81.7	77.5	152.4	-70.7	-174.5	-177.8	176.7	0	108.4	V331 L332 L333 R337 L338	V331-K335 PolarHBondContact O-N 3Å; L332-K335 CarbonylContact O-C 3.38Å; L333-K335 CarbonylContact O-C 3.38Å; L333-K335 PolarHBondContact O-N 3.16Å; K335-R337 CarbonylContact O-C 3.57Å; K335-R337 WeakPolarHBondContact O-CA 3.46Å; K335-R337 PolarHBondContact O-N 2.74Å; K335-L338 PolarHBondContact O-N 2.97Å
336	N	52.4	Low	51.4	Low	96 Å²	96	88.8 Å²	88.8	51%	0.513	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-23.9	-34.4	168.8	-140.1	-32.6	0	0	0	114.1	L333 S334 L338 Q340	L333-N336 WeakPolarHBondContact O-CA 3.42Å; L333-N336 PolarHBondContact O-N 2.99Å; S334-N336 PolarHBondContact O-N 3.47Å; S334-N336 VanDerWaalsContact O-N 3.11Å; N336-L338 PolarHBondContact O-N 2.95Å; N336-Q340 WeakPolarHBondContact O-CB 3.49Å; N336-Q340 WeakPolarHBondContact O-CG 3.32Å; N336-Q340 PolarHBondContact O-N 3.31Å; N336-Q340 PolarHBondContact OD1-NE2 3.41Å
337	R	59	Low	54.2	Low	175 Å²	175	84.3 Å²	84.3	66%	0.66	41%	0.408	S	S	*	.	H	α-helix	trans	-46.4	-49.9	170.5	-160.7	178	-172.6	-173.1	0.6	117.8	K335 K341	K335-R337 CarbonylContact O-C 3.57Å; K335-R337 WeakPolarHBondContact O-CA 3.46Å; K335-R337 PolarHBondContact O-N 2.74Å; R337-K341 WeakPolarHBondContact O-CB 3.39Å; R337-K341 WeakPolarHBondContact O-CG 3.32Å; R337-K341 PolarHBondContact O-N 2.75Å
338	L	61.7	Low	57.4	Low	19 Å²	19	86.1 Å²	86.1	10%	0.099	41%	0.41	C	S	.	.	H	α-helix	trans	-71.4	-46.4	-176.5	-179.6	64.5	0	0	0	110.5	L332 K335 N336 Q340 K341 L342 L546 D565	L332-L338 HydrophobicContact CB-CD2 3.89Å; L332-L338 HydrophobicContact CD1-CD2 3.9Å; L332-L338 HydrophobicContact CG-CD2 4.35Å; K335-L338 PolarHBondContact O-N 2.97Å; N336-L338 PolarHBondContact O-N 2.95Å; L338-Q340 VanDerWaalsContact C-N 3.3Å; L338-Q340 PolarHBondContact O-N 2.76Å; L338-K341 WeakPolarHBondContact O-CB 3.35Å; L338-K341 PolarHBondContact O-N 3.21Å; L338-K341 VanDerWaalsContact O-N 3.13Å; L338-L342 HydrophobicContact CD1-CD1 4.43Å; L338-L342 HydrophobicContact CD1-CG 4.44Å; L338-L342 HydrophobicContact CG-CD1 4.18Å; L338-L342 PolarHBondContact O-N 3.04Å; L338-L546 HydrophobicContact CD1-CD1 3.68Å; L338-D565 HydrophobicContact CD1-CB 4.08Å
339	Y	62.2	Low	60.2	Low	118 Å²	118	84.2 Å²	84.2	46%	0.463	40%	0.4	S	S	.	.	H	α-helix	trans	-54.4	-49.1	172.1	-174.4	-110	0	0	0	111	L333 K341 L342 S343	L333-Y339 HydrophobicContact CD2-CD2 3.76Å; L333-Y339 HydrophobicContact CD2-CG 4.03Å; Y339-K341 VanDerWaalsContact C-N 3.31Å; Y339-K341 PolarHBondContact O-N 3.35Å; Y339-L342 PolarHBondContact O-N 3.35Å; Y339-L342 VanDerWaalsContact O-N 3.17Å; Y339-S343 VanDerWaalsContact O-CB 3.27Å; Y339-S343 WeakPolarHBondContact O-CB 3.26Å; Y339-S343 PolarHBondContact O-N 2.81Å; Y339-S343 PolarHBondContact O-OG 2.91Å; Y339-S343 VanDerWaalsContact O-OG 3.06Å
340	Q	60.7	Low	63.4	Low	83 Å²	83	78.8 Å²	78.8	39%	0.388	38%	0.38	S	S	.	.	H	α-helix	trans	-59.6	-38.2	176.8	-76.8	169.6	4.2	0	0	112.7	N336 L338 N344	N336-Q340 WeakPolarHBondContact O-CB 3.49Å; N336-Q340 WeakPolarHBondContact O-CG 3.32Å; N336-Q340 PolarHBondContact O-N 3.31Å; N336-Q340 PolarHBondContact OD1-NE2 3.41Å; L338-Q340 VanDerWaalsContact C-N 3.3Å; L338-Q340 PolarHBondContact O-N 2.76Å; Q340-N344 WeakPolarHBondContact O-CB 3.4Å; Q340-N344 PolarHBondContact O-N 2.87Å; Q340-N344 PolarHBondContact O-ND2 2.89Å
341	K	67	Low	66.7	Low	35 Å²	35	72 Å²	72	15%	0.152	35%	0.349	C	S	.	.	H	α-helix	trans	-61.9	-51.5	173.3	-81.4	-178.6	166.9	-161.8	0	110.5	R337 L338 Y339 Q345 G545 D565	R337-K341 WeakPolarHBondContact O-CB 3.39Å; R337-K341 WeakPolarHBondContact O-CG 3.32Å; R337-K341 PolarHBondContact O-N 2.75Å; L338-K341 WeakPolarHBondContact O-CB 3.35Å; L338-K341 PolarHBondContact O-N 3.21Å; L338-K341 VanDerWaalsContact O-N 3.13Å; Y339-K341 VanDerWaalsContact C-N 3.31Å; Y339-K341 PolarHBondContact O-N 3.35Å; K341-Q345 WeakPolarHBondContact O-CB 3.18Å; K341-Q345 PolarHBondContact O-N 3.08Å; K341-Q345 VanDerWaalsContact O-N 3.11Å; K341-G545 VanDerWaalsContact CD-O 3.32Å; K341-G545 WeakPolarHBondContact CD-O 3.46Å; K341-G545 WeakPolarHBondContact CE-O 3.41Å; K341-G545 PolarHBondContact NZ-O 3.35Å; K341-D565 IonicContact NZ-OD1 3.69Å; K341-D565 PolarHBondContact NZ-OD1 3.26Å; K341-D565 IonicContact NZ-OD2 3.91Å; K341-D565 PolarHBondContact NZ-OD2 2.75Å
342	L	69.1	Low	69.7	Low	59 Å²	59	69.4 Å²	69.4	31%	0.309	33%	0.333	S	S	.	.	H	α-helix	trans	-67	-38.8	-178.5	-66.9	172.7	0	0	0	112.7	L338 Y339 F347 L546	L338-L342 HydrophobicContact CD1-CD1 4.43Å; L338-L342 HydrophobicContact CD1-CG 4.44Å; L338-L342 HydrophobicContact CG-CD1 4.18Å; L338-L342 PolarHBondContact O-N 3.04Å; Y339-L342 PolarHBondContact O-N 3.35Å; Y339-L342 VanDerWaalsContact O-N 3.17Å; L342-F347 HydrophobicContact CD2-CE2 4.16Å; L342-L546 HydrophobicContact CD2-CD2 4.05Å
343	S	67.2	Low	72.5	Confident	59 Å²	59	67.9 Å²	67.9	41%	0.413	33%	0.325	S	S	.	.	H	α-helix	trans	-81.1	-34	-176.1	72.4	0	0	0	0	113.5	Y339	Y339-S343 VanDerWaalsContact O-CB 3.27Å; Y339-S343 WeakPolarHBondContact O-CB 3.26Å; Y339-S343 PolarHBondContact O-N 2.81Å; Y339-S343 PolarHBondContact O-OG 2.91Å; Y339-S343 VanDerWaalsContact O-OG 3.06Å
344	N	67.9	Low	75.1	Confident	125 Å²	125	65.3 Å²	65.3	67%	0.668	31%	0.311	S	S	*	.	H	α-helix	trans	-102.8	-14.9	-172.2	-56.6	-19.2	0	0	0	113.4	Q340	Q340-N344 WeakPolarHBondContact O-CB 3.4Å; Q340-N344 PolarHBondContact O-N 2.87Å; Q340-N344 PolarHBondContact O-ND2 2.89Å
345	Q	69.7	Low	77.4	Confident	65 Å²	65	62.3 Å²	62.3	30%	0.304	29%	0.289	S	S	.	.			trans	-106.4	125.3	178.8	-60.3	-174.5	-65.2	0	0	111.1	K341 F347 G524	K341-Q345 WeakPolarHBondContact O-CB 3.18Å; K341-Q345 PolarHBondContact O-N 3.08Å; K341-Q345 VanDerWaalsContact O-N 3.11Å; Q345-F347 HydrophobicContact CB-CE1 4.45Å; Q345-F347 HydrophobicContact CB-CE2 4.37Å; Q345-F347 HydrophobicContact CB-CZ 4.13Å; Q345-F347 PolarHBondContact O-N 3.38Å; Q345-G524 PolarHBondContact NE2-O 2.88Å
346	K	84.4	Confident	79.4	Confident	179 Å²	179	55.4 Å²	55.4	78%	0.778	26%	0.259	S	S	*	.			trans	-83.6	105.5	164.8	-78	-171.4	173.4	-172.9	0	109.2
347	F	92.4	Very high	81.3	Confident	22 Å²	22	50.9 Å²	50.9	10%	0.096	23%	0.234	C	C	.	.			trans	-70.1	144.3	170	-60.2	-73.5	0	0	0	110.1	L342 Q345 L466 E525 V527 L546 F578	L342-F347 HydrophobicContact CD2-CE2 4.16Å; Q345-F347 HydrophobicContact CB-CE1 4.45Å; Q345-F347 HydrophobicContact CB-CE2 4.37Å; Q345-F347 HydrophobicContact CB-CZ 4.13Å; Q345-F347 PolarHBondContact O-N 3.38Å; F347-L466 HydrophobicContact CB-CD2 4.29Å; F347-L466 WeakPolarHBondContact O-CD2 3.47Å; F347-E525 CarbonylContact C-O 3.5Å; F347-E525 WeakPolarHBondContact CA-O 3.27Å; F347-V527 HydrophobicContact CB-CG2 3.95Å; F347-V527 HydrophobicContact CD1-CG2 3.34Å; F347-V527 HydrophobicContact CD2-CG2 4.3Å; F347-V527 HydrophobicContact CE1-CG2 3.88Å; F347-V527 HydrophobicContact CG-CG2 3.58Å; F347-L546 HydrophobicContact CE1-CB 3.74Å; F347-L546 HydrophobicContact CE2-CD2 4.49Å; F347-L546 HydrophobicContact CZ-CB 3.76Å; F347-L546 HydrophobicContact CZ-CD2 4.31Å; F347-F578 HydrophobicContact CB-CE1 4.2Å; F347-F578 HydrophobicContact CD2-CD1 4.36Å; F347-F578 AromaticContact CD2-CE1 3.79Å; F347-F578 HydrophobicContact CD2-CE1 3.79Å; F347-F578 HydrophobicContact CG-CE1 4.19Å
348	K	95.8	Very high	82.8	Confident	96 Å²	96	42.5 Å²	42.5	42%	0.417	20%	0.203	S	C	.	.			trans	-127.9	-19.2	178.9	-64.7	-176.5	-170.2	151.2	0	113	R467 E525	K348-R467 WeakPolarHBondContact O-CB 3.5Å; K348-R467 PolarHBondContact O-N 2.68Å; K348-E525 WeakPolarHBondContact CD-OE2 3.17Å; K348-E525 WeakPolarHBondContact CE-OE2 3.38Å; K348-E525 HydrophobicContact CG-CB 4.44Å; K348-E525 PolarHBondContact N-O 2.73Å; K348-E525 IonicContact NZ-OE1 3.67Å; K348-E525 PolarHBondContact NZ-OE1 3.5Å; K348-E525 IonicContact NZ-OE2 2.71Å; K348-E525 PolarHBondContact NZ-OE2 3.38Å
349	L	97.8	Very high	84.1	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.4	-173.8	175.3	65.4	0	0	0	110.4	I351 R467 A469 I515 I516 A519 C521 E525 T526 V527	L349-I351 HydrophobicContact CD1-CG1 4.41Å; L349-I351 HydrophobicContact CD2-CD1 4.05Å; L349-I351 HydrophobicContact CD2-CG1 4.05Å; L349-I351 HydrophobicContact CG-CG1 3.99Å; L349-R467 CarbonylContact C-O 3.6Å; L349-R467 WeakPolarHBondContact CA-O 3.42Å; L349-R467 HydrophobicContact CD1-CB 3.79Å; L349-A469 HydrophobicContact CD1-CB 4.23Å; L349-I515 HydrophobicContact CD2-CG2 4.24Å; L349-I516 HydrophobicContact CD2-CG1 4.16Å; L349-A519 HydrophobicContact CD1-CB 4.14Å; L349-A519 HydrophobicContact CD2-CB 3.77Å; L349-C521 HydrophobicContact CB-CB 4.23Å; L349-C521 HydrophobicContact CD2-CB 4.15Å; L349-E525 PolarHBondContact N-O 3.14Å; L349-T526 HydrophobicContact CB-CG2 4.35Å; L349-T526 HydrophobicContact CD2-CG2 3.89Å; L349-T526 HydrophobicContact CG-CG2 4.08Å; L349-T526 CarbonylContact O-C 3.51Å; L349-T526 WeakPolarHBondContact O-CA 3.48Å; L349-V527 PolarHBondContact O-N 2.97Å
350	V	98.1	Very high	85.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125	169.8	-174.1	0	0	0	0	108.5	I352 L466 R467 V468 A469 V527 V529 L574	V350-I352 HydrophobicContact CG1-CD1 4.07Å; V350-I352 HydrophobicContact CG1-CG1 3.67Å; V350-L466 HydrophobicContact CG2-CB 4.42Å; V350-L466 HydrophobicContact CG2-CD1 3.9Å; V350-R467 PolarHBondContact N-O 3.36Å; V350-V468 CarbonylContact O-C 3.58Å; V350-V468 WeakPolarHBondContact O-CA 3.45Å; V350-A469 PolarHBondContact O-N 2.97Å; V350-V527 WeakPolarHBondContact CA-O 3.42Å; V350-V527 HydrophobicContact CG2-CB 4.36Å; V350-V529 HydrophobicContact CG1-CG2 3.69Å; V350-L574 HydrophobicContact CG1-CD2 3.87Å
351	I	98.4	Very high	86.2	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.7	175.5	-55.8	176.6	0	0	0	107.7	L349 A469 N471 V512 I515 I516 T526 V527 I528 V529	L349-I351 HydrophobicContact CD1-CG1 4.41Å; L349-I351 HydrophobicContact CD2-CD1 4.05Å; L349-I351 HydrophobicContact CD2-CG1 4.05Å; L349-I351 HydrophobicContact CG-CG1 3.99Å; I351-A469 WeakPolarHBondContact CA-O 3.45Å; I351-A469 HydrophobicContact CG1-CB 4.39Å; I351-N471 HydrophobicContact CG2-CB 3.58Å; I351-V512 HydrophobicContact CD1-CG1 4Å; I351-I515 HydrophobicContact CD1-CB 3.92Å; I351-I515 HydrophobicContact CD1-CD1 4.38Å; I351-I515 HydrophobicContact CD1-CG2 3.63Å; I351-I515 HydrophobicContact CG1-CG2 3.82Å; I351-I515 HydrophobicContact CG2-CD1 3.8Å; I351-I516 HydrophobicContact CD1-CG1 4.21Å; I351-T526 HydrophobicContact CD1-CG2 3.68Å; I351-T526 HydrophobicContact CG1-CG2 3.99Å; I351-V527 PolarHBondContact N-O 3.36Å; I351-I528 HydrophobicContact CB-CD1 3.57Å; I351-I528 HydrophobicContact CB-CG1 4.37Å; I351-I528 HydrophobicContact CD1-CD1 4.09Å; I351-I528 HydrophobicContact CG1-CD1 4.37Å; I351-I528 HydrophobicContact CG2-CD1 3.64Å; I351-I528 WeakPolarHBondContact O-CA 3.43Å; I351-V529 PolarHBondContact O-N 3.46Å
352	I	98.1	Very high	87.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.4	-171.4	-44	174.7	0	0	0	109.1	V350 F358 V458 V468 A469 I470 N471 V529 L571	V350-I352 HydrophobicContact CG1-CD1 4.07Å; V350-I352 HydrophobicContact CG1-CG1 3.67Å; I352-F358 HydrophobicContact CB-CE2 4.04Å; I352-F358 HydrophobicContact CB-CZ 4.43Å; I352-F358 HydrophobicContact CD1-CE2 4.45Å; I352-F358 HydrophobicContact CD1-CZ 3.98Å; I352-F358 HydrophobicContact CG2-CD2 4.45Å; I352-F358 HydrophobicContact CG2-CE2 3.63Å; I352-F358 HydrophobicContact CG2-CZ 4.13Å; I352-V458 HydrophobicContact CD1-CG2 4.08Å; I352-V468 HydrophobicContact CD1-CG1 3.71Å; I352-V468 HydrophobicContact CG1-CG1 4.36Å; I352-A469 PolarHBondContact N-O 3.15Å; I352-I470 WeakPolarHBondContact O-CA 3.45Å; I352-N471 PolarHBondContact O-N 2.9Å; I352-V529 WeakPolarHBondContact CA-O 3.36Å; I352-V529 HydrophobicContact CG1-CB 4.39Å; I352-V529 HydrophobicContact CG2-CB 4.21Å; I352-V529 HydrophobicContact CG2-CG1 4.36Å; I352-L571 HydrophobicContact CD1-CD1 4.04Å; I352-L571 HydrophobicContact CD1-CD2 4.13Å; I352-L571 HydrophobicContact CG2-CD1 3.97Å; I352-L571 HydrophobicContact CG2-CD2 3.98Å
353	D	95.6	Very high	87.6	Confident	12 Å²	12	31.6 Å²	31.6	6%	0.064	16%	0.16	C	C	.	.			trans	-64.6	156.5	163.2	-170.2	71.3	0	0	0	111	D355 S357 F358 N471 K506 V529	D353-D355 PolarHBondContact OD2-N 3.31Å; D353-S357 WeakPolarHBondContact O-CB 3.41Å; D353-S357 PolarHBondContact O-OG 3.35Å; D353-F358 WeakPolarHBondContact O-CD2 3.37Å; D353-N471 WeakPolarHBondContact CA-O 3.42Å; D353-K506 IonicContact OD1-NZ 3.47Å; D353-K506 PolarHBondContact OD1-NZ 3.38Å; D353-V529 PolarHBondContact N-O 3.41Å
354	K	93.3	Very high	88.2	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.009	15%	0.145	C	C	.	.	S	Bend	trans	-84	-58.4	178.3	-177.8	-177.3	63.4	69.3	0	111.4	F358 I359 I470 D474 F482	K354-F358 PolarHBondContact O-N 3.14Å; K354-I359 HydrophobicContact CD-CD1 4.22Å; K354-I359 HydrophobicContact CG-CD1 4.13Å; K354-I470 HydrophobicContact CB-CG2 4.22Å; K354-D474 VanDerWaalsContact CE-OD2 3.26Å; K354-D474 WeakPolarHBondContact CE-OD2 3.31Å; K354-D474 IonicContact NZ-OD2 2.97Å; K354-D474 PolarHBondContact NZ-OD2 2.92Å; K354-F482 HydrophobicContact CD-CB 4.01Å; K354-F482 HydrophobicContact CD-CD1 3.69Å; K354-F482 HydrophobicContact CD-CE1 4.35Å; K354-F482 HydrophobicContact CD-CG 3.84Å; K354-F482 HydrophobicContact CG-CD1 3.91Å; K354-F482 HydrophobicContact CG-CE1 4.06Å; K354-F482 HydrophobicContact CG-CG 4.29Å
355	D	88.4	Confident	89.1	Confident	17 Å²	17	25.2 Å²	25.2	9%	0.091	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-77.9	141.2	-172.6	-68.6	-67.5	0	0	0	108.9	D353 S357 V361 R364 D531	D353-D355 PolarHBondContact OD2-N 3.31Å; D355-S357 PolarHBondContact O-N 3.28Å; D355-V361 HydrophobicContact CB-CG1 3.78Å; D355-R364 IonicContact OD1-NH1 3.25Å; D355-D531 VanDerWaalsContact O-OD1 3.13Å
356	G	87.6	Confident	89.9	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	-20.2	-176.8	0	0	0	0	0	114.2	I359 I451 S552 G553	G356-I359 WeakPolarHBondContact CA-O 2.85Å; G356-I359 PolarHBondContact N-O 2.82Å; G356-I451 WeakPolarHBondContact O-CD1 3.3Å; G356-S552 CarbonylContact O-C 3.47Å; G356-S552 VanDerWaalsContact O-CB 3.32Å; G356-S552 WeakPolarHBondContact O-CB 3.31Å; G356-S552 PolarHBondContact O-OG 3.26Å; G356-G553 PolarHBondContact O-N 3.43Å
357	S	92.6	Very high	90	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-44.6	173.4	-53.5	0	0	0	0	112.3	D353 D355 T454 L550 L571	D353-S357 WeakPolarHBondContact O-CB 3.41Å; D353-S357 PolarHBondContact O-OG 3.35Å; D355-S357 PolarHBondContact O-N 3.28Å; S357-T454 WeakPolarHBondContact O-CG2 3.19Å; S357-L550 WeakPolarHBondContact OG-CD1 3.29Å; S357-L571 WeakPolarHBondContact O-CB 3.36Å
358	F	91.1	Very high	89.9	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-34.2	177.3	-64.3	-86.2	0	0	0	113.1	I352 D353 K354 T450 I451 I455 V458 F482 L488 L571	I352-F358 HydrophobicContact CB-CE2 4.04Å; I352-F358 HydrophobicContact CB-CZ 4.43Å; I352-F358 HydrophobicContact CD1-CE2 4.45Å; I352-F358 HydrophobicContact CD1-CZ 3.98Å; I352-F358 HydrophobicContact CG2-CD2 4.45Å; I352-F358 HydrophobicContact CG2-CE2 3.63Å; I352-F358 HydrophobicContact CG2-CZ 4.13Å; D353-F358 WeakPolarHBondContact O-CD2 3.37Å; K354-F358 PolarHBondContact O-N 3.14Å; F358-T450 CarbonylContact O-C 3.49Å; F358-T450 VanDerWaalsContact O-CA 3.25Å; F358-T450 WeakPolarHBondContact O-CA 3.28Å; F358-I451 PolarHBondContact O-N 2.84Å; F358-I455 HydrophobicContact CD1-CD1 4Å; F358-V458 HydrophobicContact CE1-CG2 3.44Å; F358-V458 VanDerWaalsContact CE1-CG2 3.44Å; F358-V458 HydrophobicContact CZ-CG2 3.57Å; F358-F482 HydrophobicContact CB-CE1 4.39Å; F358-F482 HydrophobicContact CB-CE2 4.02Å; F358-F482 HydrophobicContact CB-CZ 3.49Å; F358-F482 VanDerWaalsContact CB-CZ 3.49Å; F358-F482 HydrophobicContact CD1-CZ 4.15Å; F358-F482 HydrophobicContact CD2-CZ 4.34Å; F358-F482 HydrophobicContact CG-CE1 4.33Å; F358-F482 AromaticContact CG-CZ 3.75Å; F358-F482 HydrophobicContact CG-CZ 3.75Å; F358-L488 HydrophobicContact CD1-CD1 4.36Å; F358-L488 HydrophobicContact CE1-CD1 3.97Å; F358-L571 HydrophobicContact CD1-CD2 3.87Å; F358-L571 HydrophobicContact CD2-CD2 4.33Å; F358-L571 HydrophobicContact CE1-CD2 3.4Å; F358-L571 VanDerWaalsContact CE1-CD2 3.4Å; F358-L571 HydrophobicContact CE2-CD2 3.93Å; F358-L571 HydrophobicContact CG-CD2 4.32Å; F358-L571 HydrophobicContact CZ-CD2 3.44Å; F358-L571 VanDerWaalsContact CZ-CD2 3.44Å
359	I	88.2	Confident	89.6	Confident	3 Å²	3	12.7 Å²	12.7	2%	0.015	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-107.1	130.6	-173.1	-58.4	177.4	0	0	0	108.7	K354 G356 V361 F482	K354-I359 HydrophobicContact CD-CD1 4.22Å; K354-I359 HydrophobicContact CG-CD1 4.13Å; G356-I359 WeakPolarHBondContact CA-O 2.85Å; G356-I359 PolarHBondContact N-O 2.82Å; I359-V361 PolarHBondContact O-N 2.92Å; I359-F482 HydrophobicContact CD1-CD2 3.65Å; I359-F482 HydrophobicContact CD1-CE2 3.98Å; I359-F482 HydrophobicContact CD1-CG 4.27Å; I359-F482 HydrophobicContact CG1-CD2 3.96Å; I359-F482 HydrophobicContact CG1-CE2 3.76Å
360	N	84.8	Confident	89.4	Confident	22 Å²	22	14.3 Å²	14.3	12%	0.118	7%	0.07	C	C	.	.			trans	-66.7	106.7	165.7	-173.3	-16.2	0	0	0	108.4	H362 P363 I449 I451	N360-H362 VanDerWaalsContact C-N 3.32Å; N360-H362 PolarHBondContact O-N 3.27Å; N360-H362 PolarHBondContact OD1-N 3.48Å; N360-P363 WeakPolarHBondContact O-CD 3.3Å; N360-P363 WeakPolarHBondContact OD1-CD 3.34Å; N360-I449 WeakPolarHBondContact CB-O 2.98Å; N360-I449 PolarHBondContact N-O 2.62Å; N360-I451 HydrophobicContact CB-CG1 4.34Å
361	V	83.8	Confident	89.1	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-70.3	-29.6	-173.1	-67.8	0	0	0	0	112.6	D355 I359 W365 F554	D355-V361 HydrophobicContact CB-CG1 3.78Å; I359-V361 PolarHBondContact O-N 2.92Å; V361-W365 PolarHBondContact O-N 2.97Å; V361-F554 HydrophobicContact CB-CD1 4.44Å; V361-F554 HydrophobicContact CB-CE1 3.73Å; V361-F554 HydrophobicContact CB-CE2 4.09Å; V361-F554 HydrophobicContact CB-CZ 3.55Å; V361-F554 HydrophobicContact CG1-CE2 3.99Å; V361-F554 HydrophobicContact CG1-CZ 3.92Å; V361-F554 HydrophobicContact CG2-CD1 3.72Å; V361-F554 HydrophobicContact CG2-CD2 4.36Å; V361-F554 HydrophobicContact CG2-CE1 3.48Å; V361-F554 VanDerWaalsContact CG2-CE1 3.48Å; V361-F554 HydrophobicContact CG2-CE2 4.16Å; V361-F554 HydrophobicContact CG2-CG 4.17Å; V361-F554 HydrophobicContact CG2-CZ 3.75Å
362	H	84.6	Confident	88.9	Confident	12 Å²	12	18.4 Å²	18.4	6%	0.056	9%	0.088	C	C	.	.	H	α-helix	trans	-65.3	-48.7	-169.3	-58.4	-54.1	0	0	0	113.6	N360 R364 W365 A366 I401	N360-H362 VanDerWaalsContact C-N 3.32Å; N360-H362 PolarHBondContact O-N 3.27Å; N360-H362 PolarHBondContact OD1-N 3.48Å; H362-R364 PolarHBondContact O-N 3.33Å; H362-W365 PolarHBondContact O-N 2.84Å; H362-A366 WeakPolarHBondContact O-CB 3.45Å; H362-A366 PolarHBondContact O-N 3.37Å; H362-I401 HydrophobicContact CB-CD1 4.42Å; H362-I401 PolarHBondContact CE1-O 3.44Å; H362-I401 VanDerWaalsContact CE1-O 3.25Å; H362-I401 PolarHBondContact ND1-N 2.88Å
363	P	81	Confident	88.8	Confident	48 Å²	48	18.5 Å²	18.5	31%	0.312	9%	0.089	S	C	.	.	H	α-helix	trans	-57.2	-47	179.2	-26.7	35.1	0	0	0	113.9	N360 A366 E367 I449	N360-P363 WeakPolarHBondContact O-CD 3.3Å; N360-P363 WeakPolarHBondContact OD1-CD 3.34Å; P363-A366 PolarHBondContact O-N 2.79Å; P363-E367 PolarHBondContact O-N 3.24Å; P363-E367 VanDerWaalsContact O-N 3.17Å; P363-I449 HydrophobicContact CB-CD1 4.29Å; P363-I449 HydrophobicContact CG-CD1 4.15Å
364	R	79.8	Confident	88.7	Confident	29 Å²	29	23.1 Å²	23.1	11%	0.109	11%	0.111	C	C	.	.	H	α-helix	trans	-59	-51.2	-179.4	177.6	-178.2	-177.6	-165	-2.4	111	D355 H362 W368 S444 D474	D355-R364 IonicContact OD1-NH1 3.25Å; H362-R364 PolarHBondContact O-N 3.33Å; R364-W368 PolarHBondContact O-N 3.1Å; R364-S444 PolarHBondContact NE-O 2.83Å; R364-S444 PolarHBondContact NH2-O 3.22Å; R364-D474 IonicContact CZ-OD2 2.68Å; R364-D474 IonicContact NH1-OD1 2.77Å; R364-D474 IonicContact NH1-OD2 3.52Å; R364-D474 PolarHBondContact NH1-OD2 3.34Å; R364-D474 IonicContact NH2-OD2 3.36Å
365	W	85.5	Confident	88.9	Confident	21 Å²	21	27.8 Å²	27.8	8%	0.08	13%	0.129	C	C	.	.	H	α-helix	trans	-76.7	-28.3	-175.6	-71.6	117	0	0	0	112.8	V361 H362 W368 C369 I401 L406 M411 P443 F554	V361-W365 PolarHBondContact O-N 2.97Å; H362-W365 PolarHBondContact O-N 2.84Å; W365-W368 HydrophobicContact CE3-CB 4.37Å; W365-W368 HydrophobicContact CE3-CD2 4.31Å; W365-W368 HydrophobicContact CE3-CE3 4.12Å; W365-W368 HydrophobicContact CE3-CG 4.42Å; W365-W368 HydrophobicContact CZ3-CD2 4.34Å; W365-W368 HydrophobicContact CZ3-CE3 4.39Å; W365-W368 PolarHBondContact O-N 3.06Å; W365-C369 VanDerWaalsContact O-CB 3.31Å; W365-C369 WeakPolarHBondContact O-CB 3.47Å; W365-C369 PolarHBondContact O-N 3.17Å; W365-C369 PolarHBondContact O-SG 3.32Å; W365-I401 HydrophobicContact CB-CD1 3.39Å; W365-I401 HydrophobicContact CB-CG1 3.96Å; W365-L406 HydrophobicContact CB-CD2 3.7Å; W365-L406 HydrophobicContact CD2-CD1 4.35Å; W365-L406 HydrophobicContact CD2-CD2 3.91Å; W365-L406 HydrophobicContact CD2-CG 4.24Å; W365-L406 HydrophobicContact CE3-CD1 3.77Å; W365-L406 HydrophobicContact CE3-CD2 3.85Å; W365-L406 HydrophobicContact CE3-CG 4.12Å; W365-L406 HydrophobicContact CG-CD2 3.86Å; W365-L406 HydrophobicContact CZ3-CD1 3.85Å; W365-M411 HydrophobicContact CH2-CG 4.33Å; W365-M411 HydrophobicContact CH2-SD 3.67Å; W365-M411 HydrophobicContact CZ3-CE 4.42Å; W365-M411 HydrophobicContact CZ3-SD 3.59Å; W365-M411 VanDerWaalsContact CZ3-SD 3.59Å; W365-P443 HydrophobicContact CH2-CB 4.24Å; W365-P443 HydrophobicContact CH2-CG 3.92Å; W365-P443 HydrophobicContact CZ3-CB 4.07Å; W365-P443 HydrophobicContact CZ3-CG 3.63Å; W365-F554 AromaticContact CD1-CE1 3.99Å; W365-F554 AromaticContact CD1-CZ 3.56Å; W365-F554 HydrophobicContact CG-CZ 4.48Å; W365-F554 AromaticContact NE1-CZ 3.68Å
366	A	86.6	Confident	89.3	Confident	0 Å²	0	27 Å²	27	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62	-47	172.4	0	0	0	0	0	111.8	H362 P363 W368 C369 E370 Y394 R399	H362-A366 WeakPolarHBondContact O-CB 3.45Å; H362-A366 PolarHBondContact O-N 3.37Å; P363-A366 PolarHBondContact O-N 2.79Å; A366-W368 VanDerWaalsContact C-N 3.3Å; A366-W368 PolarHBondContact O-N 2.96Å; A366-C369 PolarHBondContact O-N 3.45Å; A366-E370 WeakPolarHBondContact O-CB 3.4Å; A366-E370 VanDerWaalsContact O-CG 3.23Å; A366-E370 WeakPolarHBondContact O-CG 3.44Å; A366-E370 PolarHBondContact O-N 3.41Å; A366-Y394 HydrophobicContact CB-CE2 3.67Å; A366-R399 HydrophobicContact CB-CB 3.76Å; A366-R399 WeakPolarHBondContact CB-O 3.4Å
367	E	86.5	Confident	89.7	Confident	88 Å²	88	28.5 Å²	28.5	41%	0.411	14%	0.137	S	C	.	.	H	α-helix	trans	-59.9	-42.8	177.4	-169.2	-170.6	159.9	0	0	111.6	P363 K371	P363-E367 PolarHBondContact O-N 3.24Å; P363-E367 VanDerWaalsContact O-N 3.17Å; E367-K371 HydrophobicContact CG-CD 4.39Å; E367-K371 WeakPolarHBondContact O-CG 3.46Å; E367-K371 PolarHBondContact O-N 3.13Å; E367-K371 VanDerWaalsContact O-N 3.16Å; E367-K371 WeakPolarHBondContact OE1-CE 3.48Å; E367-K371 IonicContact OE1-NZ 3.8Å; E367-K371 PolarHBondContact OE1-NZ 3.13Å
368	W	90	Very high	89.8	Confident	11 Å²	11	36 Å²	36	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-64.9	-49.3	176.2	179.1	84.7	0	0	0	112.1	R364 W365 A366 E370 K371 V372 L392 L406 M411 I414 W440 I441 P443	R364-W368 PolarHBondContact O-N 3.1Å; W365-W368 HydrophobicContact CE3-CB 4.37Å; W365-W368 HydrophobicContact CE3-CD2 4.31Å; W365-W368 HydrophobicContact CE3-CE3 4.12Å; W365-W368 HydrophobicContact CE3-CG 4.42Å; W365-W368 HydrophobicContact CZ3-CD2 4.34Å; W365-W368 HydrophobicContact CZ3-CE3 4.39Å; W365-W368 PolarHBondContact O-N 3.06Å; A366-W368 VanDerWaalsContact C-N 3.3Å; A366-W368 PolarHBondContact O-N 2.96Å; W368-E370 VanDerWaalsContact C-N 3.34Å; W368-E370 PolarHBondContact O-N 2.77Å; W368-K371 PolarHBondContact O-N 2.83Å; W368-V372 HydrophobicContact CD2-CG2 4.12Å; W368-V372 HydrophobicContact CH2-CG2 4.4Å; W368-V372 HydrophobicContact CZ2-CB 4.44Å; W368-V372 HydrophobicContact CZ2-CG2 3.73Å; W368-V372 WeakPolarHBondContact O-CG2 3.35Å; W368-V372 PolarHBondContact O-N 2.77Å; W368-L392 HydrophobicContact CH2-CD2 4.46Å; W368-L392 HydrophobicContact CZ3-CD1 3.96Å; W368-L392 HydrophobicContact CZ3-CD2 4.19Å; W368-L406 HydrophobicContact CE3-CD1 4.25Å; W368-L406 HydrophobicContact CH2-CD1 4.5Å; W368-L406 HydrophobicContact CZ3-CD1 3.82Å; W368-M411 HydrophobicContact CD2-CE 4.46Å; W368-M411 HydrophobicContact CH2-CE 3.92Å; W368-M411 HydrophobicContact CZ2-CE 3.27Å; W368-M411 HydrophobicContact CZ2-SD 4.47Å; W368-I414 HydrophobicContact CH2-CG2 4.22Å; W368-W440 AromaticContact CH2-CH2 3.99Å; W368-W440 HydrophobicContact CH2-CH2 3.99Å; W368-W440 HydrophobicContact CH2-CZ3 4.09Å; W368-W440 HydrophobicContact CZ2-CE3 4.28Å; W368-W440 AromaticContact CZ2-CH2 3.75Å; W368-W440 HydrophobicContact CZ2-CH2 3.75Å; W368-W440 HydrophobicContact CZ2-CZ2 4.13Å; W368-W440 AromaticContact CZ2-CZ3 3.84Å; W368-W440 HydrophobicContact CZ2-CZ3 3.84Å; W368-I441 PolarHBondContact NE1-O 3.14Å; W368-P443 HydrophobicContact CG-CG 4.29Å
369	C	90.9	Very high	90	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-45	179.3	-75.6	0	0	0	0	111.6	W365 A366 V372 C373 Y394	W365-C369 VanDerWaalsContact O-CB 3.31Å; W365-C369 WeakPolarHBondContact O-CB 3.47Å; W365-C369 PolarHBondContact O-N 3.17Å; W365-C369 PolarHBondContact O-SG 3.32Å; A366-C369 PolarHBondContact O-N 3.45Å; C369-V372 PolarHBondContact O-N 2.82Å; C369-C373 WeakPolarHBondContact O-CB 3.15Å; C369-C373 PolarHBondContact O-N 3.39Å; C369-C373 PolarHBondContact O-SG 3.36Å; C369-Y394 HydrophobicContact CB-CD1 3.71Å; C369-Y394 HydrophobicContact CB-CD2 3.81Å; C369-Y394 HydrophobicContact CB-CE1 4.05Å; C369-Y394 HydrophobicContact CB-CE2 4.14Å; C369-Y394 HydrophobicContact CB-CG 3.59Å
370	E	92.4	Very high	90.3	Very high	35 Å²	35	42.3 Å²	42.3	16%	0.164	20%	0.203	C	C	.	.	H	α-helix	trans	-59.6	-49	177.6	-75.1	160.4	-153.6	0	0	111.1	A366 W368 C373 M374 Y394 F396 R399	A366-E370 WeakPolarHBondContact O-CB 3.4Å; A366-E370 VanDerWaalsContact O-CG 3.23Å; A366-E370 WeakPolarHBondContact O-CG 3.44Å; A366-E370 PolarHBondContact O-N 3.41Å; W368-E370 VanDerWaalsContact C-N 3.34Å; W368-E370 PolarHBondContact O-N 2.77Å; E370-C373 PolarHBondContact O-N 3.34Å; E370-M374 WeakPolarHBondContact O-CB 3.36Å; E370-M374 WeakPolarHBondContact O-CG 3.45Å; E370-M374 PolarHBondContact O-N 3.01Å; E370-Y394 HydrophobicContact CG-CE1 4.26Å; E370-Y394 VanDerWaalsContact CG-OH 3.25Å; E370-Y394 WeakPolarHBondContact CG-OH 3.49Å; E370-Y394 PolarHBondContact OE1-OH 3.31Å; E370-F396 HydrophobicContact CG-CD1 4.37Å; E370-F396 HydrophobicContact CG-CE1 4.21Å; E370-R399 VanDerWaalsContact CD-CZ 3.41Å; E370-R399 IonicContact OE1-CZ 3.77Å; E370-R399 IonicContact OE1-NE 3.97Å; E370-R399 PolarHBondContact OE1-NE 3.06Å; E370-R399 IonicContact OE1-NH1 2.72Å; E370-R399 PolarHBondContact OE1-NH1 3.35Å; E370-R399 IonicContact OE1-NH2 3.91Å; E370-R399 PolarHBondContact OE1-NH2 3.48Å; E370-R399 IonicContact OE2-CZ 3.24Å; E370-R399 IonicContact OE2-NH1 3.88Å; E370-R399 PolarHBondContact OE2-NH1 3.25Å; E370-R399 IonicContact OE2-NH2 2.97Å; E370-R399 PolarHBondContact OE2-NH2 3.04Å
371	K	92.6	Very high	90.6	Very high	87 Å²	87	42.9 Å²	42.9	38%	0.378	21%	0.209	S	C	.	.	H	α-helix	trans	-62	-47.3	179.4	-73.8	172.7	174	172.2	0	112.4	E367 W368 R375 I441	E367-K371 HydrophobicContact CG-CD 4.39Å; E367-K371 WeakPolarHBondContact O-CG 3.46Å; E367-K371 PolarHBondContact O-N 3.13Å; E367-K371 VanDerWaalsContact O-N 3.16Å; E367-K371 WeakPolarHBondContact OE1-CE 3.48Å; E367-K371 IonicContact OE1-NZ 3.8Å; E367-K371 PolarHBondContact OE1-NZ 3.13Å; W368-K371 PolarHBondContact O-N 2.83Å; K371-R375 WeakPolarHBondContact O-CG 3.27Å; K371-R375 PolarHBondContact O-N 2.97Å; K371-R375 VanDerWaalsContact O-N 3.13Å; K371-I441 HydrophobicContact CB-CD1 3.67Å; K371-I441 HydrophobicContact CD-CD1 4.16Å; K371-I441 HydrophobicContact CG-CD1 4.42Å
372	V	94.2	Very high	91.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.6	-42.8	-179.5	173.7	0	0	0	0	111	W368 C369 R375 L376 F388	W368-V372 HydrophobicContact CD2-CG2 4.12Å; W368-V372 HydrophobicContact CH2-CG2 4.4Å; W368-V372 HydrophobicContact CZ2-CB 4.44Å; W368-V372 HydrophobicContact CZ2-CG2 3.73Å; W368-V372 WeakPolarHBondContact O-CG2 3.35Å; W368-V372 PolarHBondContact O-N 2.77Å; C369-V372 PolarHBondContact O-N 2.82Å; V372-R375 PolarHBondContact O-N 3.49Å; V372-L376 VanDerWaalsContact O-CB 3.3Å; V372-L376 WeakPolarHBondContact O-CB 3.43Å; V372-L376 PolarHBondContact O-N 3.44Å; V372-F388 HydrophobicContact CG1-CE1 3.96Å
373	C	94.8	Very high	91.4	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-69.2	-36.4	179.7	-66.1	0	0	0	0	112.5	C369 E370 L376 A377 A385 F396	C369-C373 WeakPolarHBondContact O-CB 3.15Å; C369-C373 PolarHBondContact O-N 3.39Å; C369-C373 PolarHBondContact O-SG 3.36Å; E370-C373 PolarHBondContact O-N 3.34Å; C373-L376 PolarHBondContact O-N 3.23Å; C373-A377 WeakPolarHBondContact O-CB 3.12Å; C373-A377 PolarHBondContact O-N 3.33Å; C373-A385 HydrophobicContact CB-CB 4.38Å; C373-A385 VanDerWaalsContact O-CB 3.31Å; C373-A385 WeakPolarHBondContact O-CB 3.14Å; C373-F396 HydrophobicContact CB-CE1 4.5Å; C373-F396 HydrophobicContact CB-CZ 3.69Å
374	M	94.8	Very high	92	Very high	109 Å²	109	49.4 Å²	49.4	54%	0.537	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-48.5	172.7	-75.8	-172.3	-50.1	0	0	111.3	E370 L376 A377 E378	E370-M374 WeakPolarHBondContact O-CB 3.36Å; E370-M374 WeakPolarHBondContact O-CG 3.45Å; E370-M374 PolarHBondContact O-N 3.01Å; M374-L376 VanDerWaalsContact C-N 3.31Å; M374-L376 PolarHBondContact O-N 2.89Å; M374-A377 WeakPolarHBondContact O-CB 3.32Å; M374-A377 PolarHBondContact O-N 3.25Å; M374-A377 VanDerWaalsContact O-N 3.13Å; M374-E378 WeakPolarHBondContact O-CG 3.26Å; M374-E378 PolarHBondContact O-N 3.46Å
375	R	96.9	Very high	92.7	Very high	100 Å²	100	48.3 Å²	48.3	38%	0.377	24%	0.244	S	C	.	.	H	α-helix	trans	-62.7	-38.1	177.4	-70.2	-179.9	-179.3	-165.6	2.4	112.3	K371 V372 A377 E378 K379 I439	K371-R375 WeakPolarHBondContact O-CG 3.27Å; K371-R375 PolarHBondContact O-N 2.97Å; K371-R375 VanDerWaalsContact O-N 3.13Å; V372-R375 PolarHBondContact O-N 3.49Å; R375-A377 VanDerWaalsContact C-N 3.34Å; R375-E378 PolarHBondContact O-N 3.33Å; R375-K379 WeakPolarHBondContact O-CB 3.39Å; R375-K379 WeakPolarHBondContact O-CG 3.31Å; R375-K379 PolarHBondContact O-N 3.22Å; R375-I439 HydrophobicContact CB-CB 3.76Å; R375-I439 HydrophobicContact CB-CG2 3.72Å; R375-I439 WeakPolarHBondContact CD-O 3.23Å
376	L	96.1	Very high	92.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-38.1	174.6	-176.4	59	0	0	0	111.7	V372 C373 M374 A380 S381 L384 A385 F388 L418 L422 I435 I439	V372-L376 VanDerWaalsContact O-CB 3.3Å; V372-L376 WeakPolarHBondContact O-CB 3.43Å; V372-L376 PolarHBondContact O-N 3.44Å; C373-L376 PolarHBondContact O-N 3.23Å; M374-L376 VanDerWaalsContact C-N 3.31Å; M374-L376 PolarHBondContact O-N 2.89Å; L376-A380 HydrophobicContact CD1-CB 3.95Å; L376-A380 WeakPolarHBondContact O-CA 3.25Å; L376-A380 WeakPolarHBondContact O-CB 3.5Å; L376-A380 PolarHBondContact O-N 3.45Å; L376-S381 PolarHBondContact O-N 3.44Å; L376-L384 HydrophobicContact CD1-CD2 3.88Å; L376-L384 HydrophobicContact CD1-CG 4.36Å; L376-L384 HydrophobicContact CD2-CG 4.33Å; L376-L384 HydrophobicContact CG-CD2 4.44Å; L376-L384 HydrophobicContact CG-CG 4.43Å; L376-A385 HydrophobicContact CB-CB 4.39Å; L376-A385 HydrophobicContact CD2-CB 4.48Å; L376-A385 HydrophobicContact CG-CB 4.38Å; L376-F388 HydrophobicContact CD2-CB 3.77Å; L376-F388 HydrophobicContact CD2-CD1 3.82Å; L376-F388 HydrophobicContact CD2-CG 4.03Å; L376-L418 HydrophobicContact CD1-CD1 4.22Å; L376-L418 HydrophobicContact CD2-CD1 3.74Å; L376-L422 HydrophobicContact CD1-CD2 4.43Å; L376-I435 HydrophobicContact CD1-CG2 4.39Å; L376-I439 HydrophobicContact CB-CD1 4.01Å; L376-I439 HydrophobicContact CD1-CD1 3.71Å; L376-I439 HydrophobicContact CG-CD1 4.37Å
377	A	95.6	Very high	93.1	Very high	31 Å²	31	52.1 Å²	52.1	26%	0.256	27%	0.272	S	S	.	.	H	α-helix	trans	-65.1	-40	175.7	0	0	0	0	0	112	C373 M374 R375 A385	C373-A377 WeakPolarHBondContact O-CB 3.12Å; C373-A377 PolarHBondContact O-N 3.33Å; M374-A377 WeakPolarHBondContact O-CB 3.32Å; M374-A377 PolarHBondContact O-N 3.25Å; M374-A377 VanDerWaalsContact O-N 3.13Å; R375-A377 VanDerWaalsContact C-N 3.34Å; A377-A385 HydrophobicContact CB-CB 3.85Å
378	E	95.5	Very high	93.5	Very high	157 Å²	157	48 Å²	48	73%	0.734	25%	0.253	S	S	*	.	H	α-helix	trans	-70.5	-40.8	177.4	-70.9	173.3	180	0	0	113.1	M374 R375	M374-E378 WeakPolarHBondContact O-CG 3.26Å; M374-E378 PolarHBondContact O-N 3.46Å; R375-E378 PolarHBondContact O-N 3.33Å
379	K	95.2	Very high	93.6	Very high	113 Å²	113	47.6 Å²	47.6	49%	0.491	25%	0.252	S	S	.	.	H	α-helix	trans	-88.2	-26	-174	-69.8	-72.1	179	166.3	0	114.3	R375 I435 I439	R375-K379 WeakPolarHBondContact O-CB 3.39Å; R375-K379 WeakPolarHBondContact O-CG 3.31Å; R375-K379 PolarHBondContact O-N 3.22Å; K379-I435 HydrophobicContact CB-CG2 4.42Å; K379-I439 HydrophobicContact CB-CG2 4.12Å; K379-I439 HydrophobicContact CG-CG2 3.87Å
380	A	94.2	Very high	93.4	Very high	23 Å²	23	52.6 Å²	52.6	19%	0.19	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-82	-177.1	0	0	0	0	0	110.9	L376 L384 L422 Y427	L376-A380 HydrophobicContact CD1-CB 3.95Å; L376-A380 WeakPolarHBondContact O-CA 3.25Å; L376-A380 WeakPolarHBondContact O-CB 3.5Å; L376-A380 PolarHBondContact O-N 3.45Å; A380-L384 HydrophobicContact CB-CD2 3.73Å; A380-L422 HydrophobicContact CB-CD2 4.16Å; A380-Y427 VanDerWaalsContact C-OH 3.31Å; A380-Y427 VanDerWaalsContact CA-OH 3.27Å; A380-Y427 WeakPolarHBondContact CA-OH 3.41Å; A380-Y427 HydrophobicContact CB-CE1 4.15Å; A380-Y427 HydrophobicContact CB-CE2 4.35Å; A380-Y427 WeakPolarHBondContact CB-OH 3.43Å; A380-Y427 PolarHBondContact O-OH 3.12Å
381	S	92.7	Very high	93.1	Very high	34 Å²	34	51.5 Å²	51.5	24%	0.238	27%	0.274	C	S	.	.			trans	-165.8	154.6	174	63.8	0	0	0	0	112.9	L376 D383 L384 A385	L376-S381 PolarHBondContact O-N 3.44Å; S381-D383 VanDerWaalsContact C-N 3.3Å; S381-D383 PolarHBondContact O-N 2.76Å; S381-L384 PolarHBondContact O-N 3.39Å; S381-L384 VanDerWaalsContact OG-CB 3.31Å; S381-L384 WeakPolarHBondContact OG-CB 3.21Å; S381-L384 PolarHBondContact OG-N 2.99Å; S381-A385 PolarHBondContact O-N 3.13Å; S381-A385 VanDerWaalsContact O-N 3.11Å
382	P	93.1	Very high	93	Very high	100 Å²	100	47.4 Å²	47.4	65%	0.649	26%	0.256	S	S	*	.	H	α-helix	trans	-58.9	-35.7	172.2	-25.7	35	0	0	0	114.2	L384 A385 C386	P382-L384 VanDerWaalsContact C-N 3.35Å; P382-A385 PolarHBondContact O-N 3.2Å; P382-C386 WeakPolarHBondContact O-CB 3.41Å; P382-C386 PolarHBondContact O-N 3.05Å
383	D	92.2	Very high	92.4	Very high	96 Å²	96	48 Å²	48	51%	0.513	26%	0.262	S	S	.	.	H	α-helix	trans	-62.2	-43	176.7	179.3	70.4	0	0	0	111.6	S381 C386 T387 K425	S381-D383 VanDerWaalsContact C-N 3.3Å; S381-D383 PolarHBondContact O-N 2.76Å; D383-C386 PolarHBondContact O-N 3.4Å; D383-T387 WeakPolarHBondContact O-CB 3.48Å; D383-T387 PolarHBondContact O-N 3.23Å; D383-T387 PolarHBondContact O-OG1 3.26Å; D383-K425 IonicContact OD2-NZ 2.67Å; D383-K425 PolarHBondContact OD2-NZ 3.38Å
384	L	93.1	Very high	92.1	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-41.9	178.2	-170.6	62.3	0	0	0	111.6	L376 A380 S381 P382 C386 T387 F388 L421 L422 K425 Y427	L376-L384 HydrophobicContact CD1-CD2 3.88Å; L376-L384 HydrophobicContact CD1-CG 4.36Å; L376-L384 HydrophobicContact CD2-CG 4.33Å; L376-L384 HydrophobicContact CG-CD2 4.44Å; L376-L384 HydrophobicContact CG-CG 4.43Å; A380-L384 HydrophobicContact CB-CD2 3.73Å; S381-L384 PolarHBondContact O-N 3.39Å; S381-L384 VanDerWaalsContact OG-CB 3.31Å; S381-L384 WeakPolarHBondContact OG-CB 3.21Å; S381-L384 PolarHBondContact OG-N 2.99Å; P382-L384 VanDerWaalsContact C-N 3.35Å; L384-C386 VanDerWaalsContact C-N 3.34Å; L384-C386 PolarHBondContact O-N 3.11Å; L384-T387 PolarHBondContact O-N 2.77Å; L384-F388 WeakPolarHBondContact O-CB 3.42Å; L384-F388 PolarHBondContact O-N 3.18Å; L384-L421 HydrophobicContact CD1-CD1 4.49Å; L384-L421 HydrophobicContact CD1-CD2 3.79Å; L384-L421 HydrophobicContact CD1-CG 3.73Å; L384-L422 HydrophobicContact CD2-CD2 3.35Å; L384-L422 HydrophobicContact CD2-CG 4.06Å; L384-K425 HydrophobicContact CD1-CB 4.28Å; L384-K425 HydrophobicContact CD1-CD 4.28Å; L384-K425 HydrophobicContact CD1-CG 3.71Å; L384-Y427 HydrophobicContact CD2-CE2 4.21Å
385	A	93.9	Very high	91.4	Very high	6 Å²	6	45 Å²	45	5%	0.05	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-43.6	175.4	0	0	0	0	0	112.1	C373 L376 A377 S381 P382 F388 S389	C373-A385 HydrophobicContact CB-CB 4.38Å; C373-A385 VanDerWaalsContact O-CB 3.31Å; C373-A385 WeakPolarHBondContact O-CB 3.14Å; L376-A385 HydrophobicContact CB-CB 4.39Å; L376-A385 HydrophobicContact CD2-CB 4.48Å; L376-A385 HydrophobicContact CG-CB 4.38Å; A377-A385 HydrophobicContact CB-CB 3.85Å; S381-A385 PolarHBondContact O-N 3.13Å; S381-A385 VanDerWaalsContact O-N 3.11Å; P382-A385 PolarHBondContact O-N 3.2Å; A385-F388 PolarHBondContact O-N 3.15Å; A385-S389 PolarHBondContact O-N 3.41Å; A385-S389 PolarHBondContact O-OG 3.27Å
386	C	90.2	Very high	90.6	Very high	67 Å²	67	45.2 Å²	45.2	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-64.1	-41.7	174.6	-174	0	0	0	0	112.1	P382 D383 L384 F388 S389 N390	P382-C386 WeakPolarHBondContact O-CB 3.41Å; P382-C386 PolarHBondContact O-N 3.05Å; D383-C386 PolarHBondContact O-N 3.4Å; L384-C386 VanDerWaalsContact C-N 3.34Å; L384-C386 PolarHBondContact O-N 3.11Å; C386-F388 VanDerWaalsContact C-N 3.34Å; C386-F388 PolarHBondContact O-N 3.01Å; C386-S389 PolarHBondContact O-OG 3.2Å; C386-N390 VanDerWaalsContact O-CG 3.28Å; C386-N390 PolarHBondContact O-N 3Å; C386-N390 VanDerWaalsContact O-N 3.13Å; C386-N390 PolarHBondContact O-ND2 3.42Å
387	T	90.6	Very high	89.4	Confident	34 Å²	34	49.4 Å²	49.4	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-44.7	175.4	-59.2	0	0	0	0	110.9	D383 L384 N390 I391 L421	D383-T387 WeakPolarHBondContact O-CB 3.48Å; D383-T387 PolarHBondContact O-N 3.23Å; D383-T387 PolarHBondContact O-OG1 3.26Å; L384-T387 PolarHBondContact O-N 2.77Å; T387-N390 PolarHBondContact O-N 2.89Å; T387-I391 HydrophobicContact CG2-CD1 4.09Å; T387-I391 WeakPolarHBondContact O-CG1 3.47Å; T387-I391 PolarHBondContact O-N 3.04Å; T387-I391 VanDerWaalsContact O-N 3.08Å; T387-L421 HydrophobicContact CG2-CD1 4.09Å; T387-L421 HydrophobicContact CG2-CD2 4.27Å
388	F	94.2	Very high	88.2	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-67.8	-43.2	-179.5	-173.3	-125.3	0	0	0	112.3	V372 L376 L384 A385 C386 N390 I391 L392 I414 L418 L421	V372-F388 HydrophobicContact CG1-CE1 3.96Å; L376-F388 HydrophobicContact CD2-CB 3.77Å; L376-F388 HydrophobicContact CD2-CD1 3.82Å; L376-F388 HydrophobicContact CD2-CG 4.03Å; L384-F388 WeakPolarHBondContact O-CB 3.42Å; L384-F388 PolarHBondContact O-N 3.18Å; A385-F388 PolarHBondContact O-N 3.15Å; C386-F388 VanDerWaalsContact C-N 3.34Å; C386-F388 PolarHBondContact O-N 3.01Å; F388-N390 VanDerWaalsContact C-N 3.25Å; F388-N390 PolarHBondContact O-N 3.36Å; F388-I391 PolarHBondContact O-N 3.27Å; F388-L392 HydrophobicContact CD1-CD1 3.84Å; F388-L392 HydrophobicContact CD1-CG 4.36Å; F388-L392 HydrophobicContact CD2-CG 4.44Å; F388-L392 HydrophobicContact CE1-CD1 3.61Å; F388-L392 HydrophobicContact CE1-CD2 4.32Å; F388-L392 HydrophobicContact CE1-CG 4.12Å; F388-L392 HydrophobicContact CE2-CD2 4.14Å; F388-L392 HydrophobicContact CE2-CG 4.2Å; F388-L392 HydrophobicContact CG-CD1 4.43Å; F388-L392 HydrophobicContact CZ-CD1 4.01Å; F388-L392 HydrophobicContact CZ-CD2 3.86Å; F388-L392 HydrophobicContact CZ-CG 4.03Å; F388-L392 WeakPolarHBondContact O-CG 3.35Å; F388-L392 PolarHBondContact O-N 2.94Å; F388-I414 HydrophobicContact CE2-CG2 4.31Å; F388-I414 HydrophobicContact CZ-CG2 3.88Å; F388-L418 HydrophobicContact CD1-CD1 4.12Å; F388-L418 HydrophobicContact CD1-CD2 4.47Å; F388-L418 HydrophobicContact CD2-CB 4.43Å; F388-L418 HydrophobicContact CD2-CD1 3.84Å; F388-L418 HydrophobicContact CE1-CD1 4.23Å; F388-L418 HydrophobicContact CE1-CD2 3.89Å; F388-L418 HydrophobicContact CE1-CG 4.49Å; F388-L418 HydrophobicContact CE2-CB 3.77Å; F388-L418 HydrophobicContact CE2-CD1 3.98Å; F388-L418 HydrophobicContact CE2-CD2 4.44Å; F388-L418 HydrophobicContact CE2-CG 4.27Å; F388-L418 HydrophobicContact CG-CD1 3.92Å; F388-L418 HydrophobicContact CZ-CB 3.89Å; F388-L418 HydrophobicContact CZ-CD1 4.17Å; F388-L418 HydrophobicContact CZ-CD2 3.87Å; F388-L418 HydrophobicContact CZ-CG 4.2Å; F388-L421 HydrophobicContact CB-CD2 4.01Å; F388-L421 HydrophobicContact CD2-CD2 4.13Å
389	S	92.5	Very high	87.5	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-58.8	-38.7	175.2	66.9	0	0	0	0	112	A385 C386 L392 G393 Y394	A385-S389 PolarHBondContact O-N 3.41Å; A385-S389 PolarHBondContact O-OG 3.27Å; C386-S389 PolarHBondContact O-OG 3.2Å; S389-L392 PolarHBondContact O-N 3.32Å; S389-G393 PolarHBondContact O-N 3.49Å; S389-G393 VanDerWaalsContact O-N 3.08Å; S389-Y394 PolarHBondContact O-N 2.98Å
390	N	86.2	Confident	86.5	Confident	106 Å²	106	41.8 Å²	41.8	57%	0.567	23%	0.231	S	C	*	.	H	α-helix	trans	-65.6	-38.6	174.7	-72.3	-36.7	0	0	0	112.6	C386 T387 F388 G393	C386-N390 VanDerWaalsContact O-CG 3.28Å; C386-N390 PolarHBondContact O-N 3Å; C386-N390 VanDerWaalsContact O-N 3.13Å; C386-N390 PolarHBondContact O-ND2 3.42Å; T387-N390 PolarHBondContact O-N 2.89Å; F388-N390 VanDerWaalsContact C-N 3.25Å; F388-N390 PolarHBondContact O-N 3.36Å; N390-G393 PolarHBondContact O-N 3.24Å
391	I	87.7	Confident	85.8	Confident	12 Å²	12	40.7 Å²	40.7	6%	0.062	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-40.5	175.7	-70	166.2	0	0	0	111	T387 F388 G393 G404 I405 L421	T387-I391 HydrophobicContact CG2-CD1 4.09Å; T387-I391 WeakPolarHBondContact O-CG1 3.47Å; T387-I391 PolarHBondContact O-N 3.04Å; T387-I391 VanDerWaalsContact O-N 3.08Å; F388-I391 PolarHBondContact O-N 3.27Å; I391-G393 PolarHBondContact O-N 2.93Å; I391-G404 WeakPolarHBondContact O-CA 3.47Å; I391-I405 HydrophobicContact CG2-CD1 3.62Å; I391-I405 HydrophobicContact CG2-CG1 3.92Å; I391-I405 HydrophobicContact CG2-CG2 4.17Å; I391-I405 PolarHBondContact O-N 3.32Å; I391-L421 HydrophobicContact CD1-CD1 4.01Å; I391-L421 HydrophobicContact CD1-CD2 3.9Å
392	L	89.5	Confident	84.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-23.7	173.4	-68	174.6	0	0	0	112.4	W368 F388 S389 G404 I405 L406 I414	W368-L392 HydrophobicContact CH2-CD2 4.46Å; W368-L392 HydrophobicContact CZ3-CD1 3.96Å; W368-L392 HydrophobicContact CZ3-CD2 4.19Å; F388-L392 HydrophobicContact CD1-CD1 3.84Å; F388-L392 HydrophobicContact CD1-CG 4.36Å; F388-L392 HydrophobicContact CD2-CG 4.44Å; F388-L392 HydrophobicContact CE1-CD1 3.61Å; F388-L392 HydrophobicContact CE1-CD2 4.32Å; F388-L392 HydrophobicContact CE1-CG 4.12Å; F388-L392 HydrophobicContact CE2-CD2 4.14Å; F388-L392 HydrophobicContact CE2-CG 4.2Å; F388-L392 HydrophobicContact CG-CD1 4.43Å; F388-L392 HydrophobicContact CZ-CD1 4.01Å; F388-L392 HydrophobicContact CZ-CD2 3.86Å; F388-L392 HydrophobicContact CZ-CG 4.03Å; F388-L392 WeakPolarHBondContact O-CG 3.35Å; F388-L392 PolarHBondContact O-N 2.94Å; S389-L392 PolarHBondContact O-N 3.32Å; L392-G404 CarbonylContact O-C 3.56Å; L392-G404 WeakPolarHBondContact O-CA 3.37Å; L392-I405 HydrophobicContact CD2-CD1 4.32Å; L392-I405 HydrophobicContact CD2-CG1 4.03Å; L392-L406 HydrophobicContact CB-CB 4.47Å; L392-L406 HydrophobicContact CD2-CB 4.33Å; L392-L406 HydrophobicContact CD2-CD1 4.37Å; L392-L406 WeakPolarHBondContact O-CB 3.4Å; L392-L406 PolarHBondContact O-N 3.38Å; L392-I414 HydrophobicContact CD2-CG2 3.44Å; L392-I414 VanDerWaalsContact CD2-CG2 3.44Å
393	G	82.6	Confident	83.6	Confident	12 Å²	12	42.6 Å²	42.6	12%	0.124	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	23.1	-172.8	0	0	0	0	0	112.7	S389 N390 I391 I401 S402	S389-G393 PolarHBondContact O-N 3.49Å; S389-G393 VanDerWaalsContact O-N 3.08Å; N390-G393 PolarHBondContact O-N 3.24Å; I391-G393 PolarHBondContact O-N 2.93Å; G393-I401 CarbonylContact O-C 3.6Å; G393-I401 VanDerWaalsContact O-CA 3.3Å; G393-I401 WeakPolarHBondContact O-CA 3.49Å; G393-S402 VanDerWaalsContact CA-O 3.26Å; G393-S402 WeakPolarHBondContact CA-O 3.49Å; G393-S402 PolarHBondContact O-N 3.19Å
394	Y	88.3	Confident	82.7	Confident	7 Å²	7	38.2 Å²	38.2	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.4	-177.1	175.1	-103.6	0	0	0	112.3	A366 C369 E370 S389 F396 K400 I401	A366-Y394 HydrophobicContact CB-CE2 3.67Å; C369-Y394 HydrophobicContact CB-CD1 3.71Å; C369-Y394 HydrophobicContact CB-CD2 3.81Å; C369-Y394 HydrophobicContact CB-CE1 4.05Å; C369-Y394 HydrophobicContact CB-CE2 4.14Å; C369-Y394 HydrophobicContact CB-CG 3.59Å; E370-Y394 HydrophobicContact CG-CE1 4.26Å; E370-Y394 VanDerWaalsContact CG-OH 3.25Å; E370-Y394 WeakPolarHBondContact CG-OH 3.49Å; E370-Y394 PolarHBondContact OE1-OH 3.31Å; S389-Y394 PolarHBondContact O-N 2.98Å; Y394-F396 HydrophobicContact CD1-CD2 4.17Å; Y394-F396 HydrophobicContact CD1-CE2 4.15Å; Y394-F396 HydrophobicContact CD1-CG 4.39Å; Y394-F396 HydrophobicContact CD1-CZ 4.34Å; Y394-F396 HydrophobicContact CE1-CB 4.34Å; Y394-F396 AromaticContact CE1-CD1 3.62Å; Y394-F396 HydrophobicContact CE1-CD1 3.62Å; Y394-F396 AromaticContact CE1-CD2 3.91Å; Y394-F396 HydrophobicContact CE1-CD2 3.91Å; Y394-F396 AromaticContact CE1-CE1 3.79Å; Y394-F396 HydrophobicContact CE1-CE1 3.79Å; Y394-F396 HydrophobicContact CE1-CE2 4.07Å; Y394-F396 AromaticContact CE1-CG 3.68Å; Y394-F396 HydrophobicContact CE1-CG 3.68Å; Y394-F396 HydrophobicContact CE1-CZ 4Å; Y394-K400 CarbonylContact C-O 3.44Å; Y394-K400 VanDerWaalsContact CA-O 3.28Å; Y394-K400 WeakPolarHBondContact CA-O 3.17Å; Y394-K400 WeakPolarHBondContact CD2-O 3.42Å; Y394-I401 HydrophobicContact CD2-CD1 4.31Å; Y394-I401 HydrophobicContact CD2-CG1 4.13Å
395	S	79.8	Confident	82.1	Confident	42 Å²	42	38.7 Å²	38.7	29%	0.294	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.3	174.8	163.3	0	0	0	0	110.8	E397 T398 R399 K400	S395-E397 VanDerWaalsContact C-N 3.26Å; S395-E397 PolarHBondContact O-N 3.06Å; S395-T398 WeakPolarHBondContact CB-OG1 3.46Å; S395-T398 PolarHBondContact O-N 3.39Å; S395-T398 PolarHBondContact OG-N 3.35Å; S395-T398 PolarHBondContact OG-OG1 3.31Å; S395-R399 VanDerWaalsContact O-CA 3.23Å; S395-R399 WeakPolarHBondContact O-CA 3.41Å; S395-R399 PolarHBondContact O-N 3.38Å; S395-K400 PolarHBondContact N-O 3.41Å; S395-K400 PolarHBondContact O-N 2.92Å
396	F	80	Confident	81.6	Confident	104 Å²	104	38.9 Å²	38.9	46%	0.456	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.5	176.4	-76.7	-85.2	0	0	0	113.5	E370 C373 Y394	E370-F396 HydrophobicContact CG-CD1 4.37Å; E370-F396 HydrophobicContact CG-CE1 4.21Å; C373-F396 HydrophobicContact CB-CE1 4.5Å; C373-F396 HydrophobicContact CB-CZ 3.69Å; Y394-F396 HydrophobicContact CD1-CD2 4.17Å; Y394-F396 HydrophobicContact CD1-CE2 4.15Å; Y394-F396 HydrophobicContact CD1-CG 4.39Å; Y394-F396 HydrophobicContact CD1-CZ 4.34Å; Y394-F396 HydrophobicContact CE1-CB 4.34Å; Y394-F396 AromaticContact CE1-CD1 3.62Å; Y394-F396 HydrophobicContact CE1-CD1 3.62Å; Y394-F396 AromaticContact CE1-CD2 3.91Å; Y394-F396 HydrophobicContact CE1-CD2 3.91Å; Y394-F396 AromaticContact CE1-CE1 3.79Å; Y394-F396 HydrophobicContact CE1-CE1 3.79Å; Y394-F396 HydrophobicContact CE1-CE2 4.07Å; Y394-F396 AromaticContact CE1-CG 3.68Å; Y394-F396 HydrophobicContact CE1-CG 3.68Å; Y394-F396 HydrophobicContact CE1-CZ 4Å
397	E	70.5	Confident	80.6	Confident	89 Å²	89	36.7 Å²	36.7	42%	0.416	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-36.4	-178.7	-70.4	168.3	-172.1	0	0	111.6	K237 S395	K237-E397 VanDerWaalsContact CE-OE1 3.3Å; K237-E397 WeakPolarHBondContact CE-OE1 3.41Å; K237-E397 IonicContact NZ-OE1 2.86Å; K237-E397 PolarHBondContact NZ-OE1 2.84Å; S395-E397 VanDerWaalsContact C-N 3.26Å; S395-E397 PolarHBondContact O-N 3.06Å
398	T	70.6	Confident	79.5	Confident	20 Å²	20	39.1 Å²	39.1	12%	0.123	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-14.1	-174.5	60.8	0	0	0	0	113.5	L211 D212 S395 K400	L211-T398 WeakPolarHBondContact O-CG2 3.32Å; D212-T398 VanDerWaalsContact CA-CG2 3.49Å; D212-T398 WeakPolarHBondContact O-CG2 3.35Å; S395-T398 WeakPolarHBondContact CB-OG1 3.46Å; S395-T398 PolarHBondContact O-N 3.39Å; S395-T398 PolarHBondContact OG-N 3.35Å; S395-T398 PolarHBondContact OG-OG1 3.31Å; T398-K400 PolarHBondContact O-N 3.13Å; T398-K400 WeakPolarHBondContact OG1-CB 3.32Å; T398-K400 PolarHBondContact OG1-N 2.86Å
399	R	81.6	Confident	78	Confident	115 Å²	115	40.2 Å²	40.2	43%	0.434	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	36.9	-168.9	-59.2	177.4	63.3	103.2	10.6	112.4	A366 E370 S395	A366-R399 HydrophobicContact CB-CB 3.76Å; A366-R399 WeakPolarHBondContact CB-O 3.4Å; E370-R399 VanDerWaalsContact CD-CZ 3.41Å; E370-R399 IonicContact OE1-CZ 3.77Å; E370-R399 IonicContact OE1-NE 3.97Å; E370-R399 PolarHBondContact OE1-NE 3.06Å; E370-R399 IonicContact OE1-NH1 2.72Å; E370-R399 PolarHBondContact OE1-NH1 3.35Å; E370-R399 IonicContact OE1-NH2 3.91Å; E370-R399 PolarHBondContact OE1-NH2 3.48Å; E370-R399 IonicContact OE2-CZ 3.24Å; E370-R399 IonicContact OE2-NH1 3.88Å; E370-R399 PolarHBondContact OE2-NH1 3.25Å; E370-R399 IonicContact OE2-NH2 2.97Å; E370-R399 PolarHBondContact OE2-NH2 3.04Å; S395-R399 VanDerWaalsContact O-CA 3.23Å; S395-R399 WeakPolarHBondContact O-CA 3.41Å; S395-R399 PolarHBondContact O-N 3.38Å
400	K	73.8	Confident	77	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	161.2	-179.7	-64.8	-171.7	-152.8	-179.3	0	113.9	H209 L210 L211 D212 Y394 S395 T398	H209-K400 WeakPolarHBondContact O-CD 3.32Å; H209-K400 WeakPolarHBondContact O-CE 3.38Å; H209-K400 PolarHBondContact O-NZ 3.37Å; L210-K400 PolarHBondContact O-NZ 3.42Å; L211-K400 VanDerWaalsContact C-NZ 3.26Å; L211-K400 WeakPolarHBondContact O-CE 3.3Å; L211-K400 PolarHBondContact O-NZ 3.48Å; D212-K400 IonicContact OD1-NZ 3.07Å; Y394-K400 CarbonylContact C-O 3.44Å; Y394-K400 VanDerWaalsContact CA-O 3.28Å; Y394-K400 WeakPolarHBondContact CA-O 3.17Å; Y394-K400 WeakPolarHBondContact CD2-O 3.42Å; S395-K400 PolarHBondContact N-O 3.41Å; S395-K400 PolarHBondContact O-N 2.92Å; T398-K400 PolarHBondContact O-N 3.13Å; T398-K400 WeakPolarHBondContact OG1-CB 3.32Å; T398-K400 PolarHBondContact OG1-N 2.86Å
401	I	79.7	Confident	76.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123	178.7	-58	91.8	0	0	0	107.8	H362 W365 G393 Y394 L406 F554	H362-I401 HydrophobicContact CB-CD1 4.42Å; H362-I401 PolarHBondContact CE1-O 3.44Å; H362-I401 VanDerWaalsContact CE1-O 3.25Å; H362-I401 PolarHBondContact ND1-N 2.88Å; W365-I401 HydrophobicContact CB-CD1 3.39Å; W365-I401 HydrophobicContact CB-CG1 3.96Å; G393-I401 CarbonylContact O-C 3.6Å; G393-I401 VanDerWaalsContact O-CA 3.3Å; G393-I401 WeakPolarHBondContact O-CA 3.49Å; Y394-I401 HydrophobicContact CD2-CD1 4.31Å; Y394-I401 HydrophobicContact CD2-CG1 4.13Å; I401-L406 HydrophobicContact CB-CD2 4.48Å; I401-L406 HydrophobicContact CG1-CD2 3.8Å; I401-L406 HydrophobicContact CG2-CB 3.94Å; I401-L406 HydrophobicContact CG2-CD2 3.91Å; I401-L406 HydrophobicContact CG2-CG 4.35Å; I401-F554 HydrophobicContact CB-CD1 3.92Å; I401-F554 HydrophobicContact CB-CE1 3.79Å; I401-F554 HydrophobicContact CG2-CD1 3.79Å; I401-F554 HydrophobicContact CG2-CE1 3.73Å
402	S	71.2	Confident	76.1	Confident	54 Å²	54	46 Å²	46	38%	0.378	25%	0.25	S	C	.	.			trans	-155.2	145.3	175.9	65.3	0	0	0	0	110.4	G393 G404	G393-S402 VanDerWaalsContact CA-O 3.26Å; G393-S402 WeakPolarHBondContact CA-O 3.49Å; G393-S402 PolarHBondContact O-N 3.19Å; S402-G404 VanDerWaalsContact C-N 3.3Å; S402-G404 PolarHBondContact O-N 2.87Å
403	N	67.8	Low	75.6	Confident	119 Å²	119	48.8 Å²	48.8	64%	0.636	26%	0.262	S	S	*	.	S	Bend	trans	54.2	38.4	170.5	-62.6	-57.8	0	0	0	115.2
404	G	73	Confident	75.8	Confident	5 Å²	5	48.2 Å²	48.2	5%	0.052	26%	0.256	C	S	.	.	S	Bend	trans	-140.6	178.5	-179.3	0	0	0	0	0	113.6	I391 L392 S402 L406 S407	I391-G404 WeakPolarHBondContact O-CA 3.47Å; L392-G404 CarbonylContact O-C 3.56Å; L392-G404 WeakPolarHBondContact O-CA 3.37Å; S402-G404 VanDerWaalsContact C-N 3.3Å; S402-G404 PolarHBondContact O-N 2.87Å; G404-L406 PolarHBondContact O-N 2.97Å; G404-S407 PolarHBondContact O-N 3.02Å; G404-S407 PolarHBondContact O-OG 3.47Å
405	I	81.4	Confident	76	Confident	11 Å²	11	49.7 Å²	49.7	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-68.8	-17	-174.9	65.8	171.6	0	0	0	113.1	I391 L392 S407 E408 G409 F413 I414 C417	I391-I405 HydrophobicContact CG2-CD1 3.62Å; I391-I405 HydrophobicContact CG2-CG1 3.92Å; I391-I405 HydrophobicContact CG2-CG2 4.17Å; I391-I405 PolarHBondContact O-N 3.32Å; L392-I405 HydrophobicContact CD2-CD1 4.32Å; L392-I405 HydrophobicContact CD2-CG1 4.03Å; I405-S407 VanDerWaalsContact C-N 3.33Å; I405-E408 PolarHBondContact O-N 3Å; I405-G409 VanDerWaalsContact O-CA 3.31Å; I405-G409 WeakPolarHBondContact O-CA 3.36Å; I405-G409 PolarHBondContact O-N 3.37Å; I405-F413 HydrophobicContact CB-CE1 4.25Å; I405-F413 HydrophobicContact CG2-CE1 4.16Å; I405-I414 HydrophobicContact CD1-CB 4.22Å; I405-I414 HydrophobicContact CD1-CG1 3.91Å; I405-I414 HydrophobicContact CD1-CG2 4.03Å; I405-I414 HydrophobicContact CG1-CG1 4.02Å; I405-C417 HydrophobicContact CD1-CB 3.83Å
406	L	82.5	Confident	76.4	Confident	10 Å²	10	51.1 Å²	51.1	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-70.9	-30	177.1	-163.3	70.2	0	0	0	112.5	W365 W368 L392 I401 G404 M411 I414	W365-L406 HydrophobicContact CB-CD2 3.7Å; W365-L406 HydrophobicContact CD2-CD1 4.35Å; W365-L406 HydrophobicContact CD2-CD2 3.91Å; W365-L406 HydrophobicContact CD2-CG 4.24Å; W365-L406 HydrophobicContact CE3-CD1 3.77Å; W365-L406 HydrophobicContact CE3-CD2 3.85Å; W365-L406 HydrophobicContact CE3-CG 4.12Å; W365-L406 HydrophobicContact CG-CD2 3.86Å; W365-L406 HydrophobicContact CZ3-CD1 3.85Å; W368-L406 HydrophobicContact CE3-CD1 4.25Å; W368-L406 HydrophobicContact CH2-CD1 4.5Å; W368-L406 HydrophobicContact CZ3-CD1 3.82Å; L392-L406 HydrophobicContact CB-CB 4.47Å; L392-L406 HydrophobicContact CD2-CB 4.33Å; L392-L406 HydrophobicContact CD2-CD1 4.37Å; L392-L406 WeakPolarHBondContact O-CB 3.4Å; L392-L406 PolarHBondContact O-N 3.38Å; I401-L406 HydrophobicContact CB-CD2 4.48Å; I401-L406 HydrophobicContact CG1-CD2 3.8Å; I401-L406 HydrophobicContact CG2-CB 3.94Å; I401-L406 HydrophobicContact CG2-CD2 3.91Å; I401-L406 HydrophobicContact CG2-CG 4.35Å; G404-L406 PolarHBondContact O-N 2.97Å; L406-M411 HydrophobicContact CD1-SD 4.42Å; L406-I414 HydrophobicContact CB-CD1 4.43Å; L406-I414 HydrophobicContact CD1-CD1 3.47Å; L406-I414 VanDerWaalsContact CD1-CD1 3.47Å; L406-I414 HydrophobicContact CG-CD1 4.47Å
407	S	69.6	Low	76.9	Confident	21 Å²	21	47 Å²	47	15%	0.147	25%	0.249	C	C	.	.	H	α-helix	trans	-84	-17.8	176.7	51.4	0	0	0	0	113.9	G404 I405 F554	G404-S407 PolarHBondContact O-N 3.02Å; G404-S407 PolarHBondContact O-OG 3.47Å; I405-S407 VanDerWaalsContact C-N 3.33Å; S407-F554 VanDerWaalsContact CB-CB 3.48Å
408	E	66.3	Low	78.1	Confident	85 Å²	85	42.7 Å²	42.7	40%	0.397	23%	0.229	S	C	.	.	H	α-helix	trans	-118.7	-20.7	-173.2	-63.5	-167.4	161.8	0	0	114.3	L2 R5 I405	L2-E408 HydrophobicContact CD2-CB 4.21Å; R5-E408 IonicContact NH1-OE1 2.99Å; R5-E408 PolarHBondContact NH1-OE1 3.37Å; I405-E408 PolarHBondContact O-N 3Å
409	G	64.1	Low	79.3	Confident	24 Å²	24	43.4 Å²	43.4	25%	0.247	23%	0.229	C	C	.	.	S	Bend	trans	-111.3	156.7	-169.8	0	0	0	0	0	113.6	I405	I405-G409 VanDerWaalsContact O-CA 3.31Å; I405-G409 WeakPolarHBondContact O-CA 3.36Å; I405-G409 PolarHBondContact O-N 3.37Å
410	S	71	Confident	79.9	Confident	72 Å²	72	43.1 Å²	43.1	50%	0.503	23%	0.233	S	C	.	.			trans	-74.8	156.9	170.5	66.6	0	0	0	0	111	L412 F413 I414	S410-L412 PolarHBondContact O-N 3.48Å; S410-F413 WeakPolarHBondContact O-CA 3.37Å; S410-F413 WeakPolarHBondContact O-CB 3.38Å; S410-F413 PolarHBondContact O-N 2.92Å; S410-F413 WeakPolarHBondContact OG-CB 3.34Å; S410-F413 PolarHBondContact OG-N 3.13Å; S410-I414 WeakPolarHBondContact O-CG1 3.45Å; S410-I414 PolarHBondContact O-N 3.41Å
411	M	78.5	Confident	80.8	Confident	46 Å²	46	43.4 Å²	43.4	23%	0.227	24%	0.235	C	C	.	.	H	α-helix	trans	-54.4	-40.1	174.9	-73.8	-57.1	-65.1	0	0	112.5	W365 W368 L406 F413 I414 E415 W440 P443	W365-M411 HydrophobicContact CH2-CG 4.33Å; W365-M411 HydrophobicContact CH2-SD 3.67Å; W365-M411 HydrophobicContact CZ3-CE 4.42Å; W365-M411 HydrophobicContact CZ3-SD 3.59Å; W365-M411 VanDerWaalsContact CZ3-SD 3.59Å; W368-M411 HydrophobicContact CD2-CE 4.46Å; W368-M411 HydrophobicContact CH2-CE 3.92Å; W368-M411 HydrophobicContact CZ2-CE 3.27Å; W368-M411 HydrophobicContact CZ2-SD 4.47Å; L406-M411 HydrophobicContact CD1-SD 4.42Å; M411-F413 VanDerWaalsContact C-N 3.33Å; M411-F413 PolarHBondContact O-N 3.01Å; M411-I414 PolarHBondContact O-N 3.01Å; M411-I414 HydrophobicContact SD-CD1 4.24Å; M411-E415 WeakPolarHBondContact O-CB 3.27Å; M411-E415 PolarHBondContact O-N 3.3Å; M411-W440 HydrophobicContact CB-CZ2 4.42Å; M411-W440 HydrophobicContact CE-CH2 3.85Å; M411-W440 HydrophobicContact CE-CZ2 3.31Å; M411-W440 WeakPolarHBondContact O-CZ2 3.32Å; M411-P443 HydrophobicContact CE-CG 3.58Å; M411-P443 HydrophobicContact CG-CG 4.35Å; M411-P443 HydrophobicContact SD-CG 3.98Å
412	L	77.3	Confident	81.6	Confident	123 Å²	123	43.4 Å²	43.4	64%	0.644	24%	0.235	S	C	*	.	H	α-helix	trans	-62.7	-40.1	176.4	-171	139.4	0	0	0	112	S410 I414 E415 E416	S410-L412 PolarHBondContact O-N 3.48Å; L412-I414 VanDerWaalsContact C-N 3.33Å; L412-I414 PolarHBondContact O-N 3.04Å; L412-E415 PolarHBondContact O-N 3.35Å; L412-E416 WeakPolarHBondContact O-CG 3.38Å; L412-E416 PolarHBondContact O-N 2.84Å
413	F	78.4	Confident	82.8	Confident	59 Å²	59	44.2 Å²	44.2	26%	0.259	23%	0.234	S	C	.	.	H	α-helix	trans	-64.4	-38.9	174.7	175.3	-104.5	0	0	0	112.3	A6 I405 S410 M411 E416 C417	A6-F413 HydrophobicContact CB-CE1 4.14Å; A6-F413 HydrophobicContact CB-CZ 3.58Å; I405-F413 HydrophobicContact CB-CE1 4.25Å; I405-F413 HydrophobicContact CG2-CE1 4.16Å; S410-F413 WeakPolarHBondContact O-CA 3.37Å; S410-F413 WeakPolarHBondContact O-CB 3.38Å; S410-F413 PolarHBondContact O-N 2.92Å; S410-F413 WeakPolarHBondContact OG-CB 3.34Å; S410-F413 PolarHBondContact OG-N 3.13Å; M411-F413 VanDerWaalsContact C-N 3.33Å; M411-F413 PolarHBondContact O-N 3.01Å; F413-E416 PolarHBondContact O-N 3.4Å; F413-C417 VanDerWaalsContact CE1-SG 3.51Å; F413-C417 WeakPolarHBondContact CZ-SG 3.41Å; F413-C417 WeakPolarHBondContact O-CB 3.27Å; F413-C417 PolarHBondContact O-N 3.2Å; F413-C417 PolarHBondContact O-SG 3.49Å
414	I	87.5	Confident	84	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-68.5	-40.2	179.3	-62	168.4	0	0	0	110.9	W368 F388 L392 I405 L406 S410 M411 L412 C417 L418 W440	W368-I414 HydrophobicContact CH2-CG2 4.22Å; F388-I414 HydrophobicContact CE2-CG2 4.31Å; F388-I414 HydrophobicContact CZ-CG2 3.88Å; L392-I414 HydrophobicContact CD2-CG2 3.44Å; L392-I414 VanDerWaalsContact CD2-CG2 3.44Å; I405-I414 HydrophobicContact CD1-CB 4.22Å; I405-I414 HydrophobicContact CD1-CG1 3.91Å; I405-I414 HydrophobicContact CD1-CG2 4.03Å; I405-I414 HydrophobicContact CG1-CG1 4.02Å; L406-I414 HydrophobicContact CB-CD1 4.43Å; L406-I414 HydrophobicContact CD1-CD1 3.47Å; L406-I414 VanDerWaalsContact CD1-CD1 3.47Å; L406-I414 HydrophobicContact CG-CD1 4.47Å; S410-I414 WeakPolarHBondContact O-CG1 3.45Å; S410-I414 PolarHBondContact O-N 3.41Å; M411-I414 PolarHBondContact O-N 3.01Å; M411-I414 HydrophobicContact SD-CD1 4.24Å; L412-I414 VanDerWaalsContact C-N 3.33Å; L412-I414 PolarHBondContact O-N 3.04Å; I414-C417 WeakPolarHBondContact O-CB 3.46Å; I414-C417 PolarHBondContact O-N 2.87Å; I414-L418 PolarHBondContact O-N 3.3Å; I414-W440 HydrophobicContact CB-CH2 4.07Å; I414-W440 HydrophobicContact CG2-CH2 3.81Å; I414-W440 HydrophobicContact CG2-CZ3 4.38Å
415	E	90.6	Very high	84.9	Confident	37 Å²	37	48.4 Å²	48.4	17%	0.173	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-47.5	174.9	-158.9	-176	138.5	0	0	111.1	M411 L412 C417 L418 R419 V436 W440	M411-E415 WeakPolarHBondContact O-CB 3.27Å; M411-E415 PolarHBondContact O-N 3.3Å; L412-E415 PolarHBondContact O-N 3.35Å; E415-C417 PolarHBondContact O-N 2.92Å; E415-L418 WeakPolarHBondContact O-CB 3.4Å; E415-L418 PolarHBondContact O-N 3.46Å; E415-L418 VanDerWaalsContact O-N 3.16Å; E415-R419 PolarHBondContact O-N 2.96Å; E415-R419 IonicContact OE1-CZ 3.33Å; E415-R419 VanDerWaalsContact OE1-CZ 3.25Å; E415-R419 IonicContact OE1-NH1 2.62Å; E415-R419 PolarHBondContact OE1-NH1 2.89Å; E415-R419 IonicContact OE1-NH2 2.61Å; E415-R419 PolarHBondContact OE1-NH2 3.33Å; E415-V436 HydrophobicContact CG-CG1 3.61Å; E415-W440 VanDerWaalsContact CA-CH2 3.49Å; E415-W440 HydrophobicContact CB-CD2 4.4Å; E415-W440 HydrophobicContact CB-CE3 4.45Å; E415-W440 HydrophobicContact CB-CH2 3.65Å; E415-W440 HydrophobicContact CB-CZ2 3.55Å; E415-W440 HydrophobicContact CB-CZ3 4.11Å; E415-W440 HydrophobicContact CG-CD2 3.83Å; E415-W440 HydrophobicContact CG-CE3 4.04Å; E415-W440 HydrophobicContact CG-CG 4.35Å; E415-W440 HydrophobicContact CG-CH2 4.12Å; E415-W440 HydrophobicContact CG-CZ2 3.89Å; E415-W440 HydrophobicContact CG-CZ3 4.19Å; E415-W440 VanDerWaalsContact N-CH2 3.34Å; E415-W440 PolarHBondContact OE2-NE1 3.36Å
416	E	89.3	Confident	85.5	Confident	73 Å²	73	51 Å²	51	34%	0.341	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-40.1	174.7	-74.4	-56.3	123.9	0	0	112.6	L412 F413 L418 R419 H420	L412-E416 WeakPolarHBondContact O-CG 3.38Å; L412-E416 PolarHBondContact O-N 2.84Å; F413-E416 PolarHBondContact O-N 3.4Å; E416-L418 VanDerWaalsContact C-N 3.26Å; E416-L418 PolarHBondContact O-N 3.4Å; E416-R419 PolarHBondContact O-N 2.85Å; E416-R419 IonicContact OE1-CZ 2.66Å; E416-R419 IonicContact OE1-NE 3.28Å; E416-R419 IonicContact OE1-NH1 2.62Å; E416-R419 PolarHBondContact OE1-NH1 3.34Å; E416-H420 PolarHBondContact O-N 3.32Å; E416-H420 PolarHBondContact O-ND1 2.68Å; E416-H420 IonicContact OE2-CE1 3.33Å
417	C	90.7	Very high	86	Confident	16 Å²	16	52.8 Å²	52.8	11%	0.108	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-38.2	174.6	-73.5	0	0	0	0	111.7	I405 F413 I414 E415 L421	I405-C417 HydrophobicContact CD1-CB 3.83Å; F413-C417 VanDerWaalsContact CE1-SG 3.51Å; F413-C417 WeakPolarHBondContact CZ-SG 3.41Å; F413-C417 WeakPolarHBondContact O-CB 3.27Å; F413-C417 PolarHBondContact O-N 3.2Å; F413-C417 PolarHBondContact O-SG 3.49Å; I414-C417 WeakPolarHBondContact O-CB 3.46Å; I414-C417 PolarHBondContact O-N 2.87Å; E415-C417 PolarHBondContact O-N 2.92Å; C417-L421 VanDerWaalsContact O-CB 3.32Å; C417-L421 WeakPolarHBondContact O-CB 3.44Å; C417-L421 PolarHBondContact O-N 3.33Å
418	L	94.9	Very high	87.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-68.3	-43.8	176.8	-177.4	54.3	0	0	0	111.9	L376 F388 I414 E415 E416 H420 L421 L422 V436 I439 W440	L376-L418 HydrophobicContact CD1-CD1 4.22Å; L376-L418 HydrophobicContact CD2-CD1 3.74Å; F388-L418 HydrophobicContact CD1-CD1 4.12Å; F388-L418 HydrophobicContact CD1-CD2 4.47Å; F388-L418 HydrophobicContact CD2-CB 4.43Å; F388-L418 HydrophobicContact CD2-CD1 3.84Å; F388-L418 HydrophobicContact CE1-CD1 4.23Å; F388-L418 HydrophobicContact CE1-CD2 3.89Å; F388-L418 HydrophobicContact CE1-CG 4.49Å; F388-L418 HydrophobicContact CE2-CB 3.77Å; F388-L418 HydrophobicContact CE2-CD1 3.98Å; F388-L418 HydrophobicContact CE2-CD2 4.44Å; F388-L418 HydrophobicContact CE2-CG 4.27Å; F388-L418 HydrophobicContact CG-CD1 3.92Å; F388-L418 HydrophobicContact CZ-CB 3.89Å; F388-L418 HydrophobicContact CZ-CD1 4.17Å; F388-L418 HydrophobicContact CZ-CD2 3.87Å; F388-L418 HydrophobicContact CZ-CG 4.2Å; I414-L418 PolarHBondContact O-N 3.3Å; E415-L418 WeakPolarHBondContact O-CB 3.4Å; E415-L418 PolarHBondContact O-N 3.46Å; E415-L418 VanDerWaalsContact O-N 3.16Å; E416-L418 VanDerWaalsContact C-N 3.26Å; E416-L418 PolarHBondContact O-N 3.4Å; L418-H420 VanDerWaalsContact C-N 3.32Å; L418-H420 PolarHBondContact O-N 2.88Å; L418-L421 PolarHBondContact O-N 2.95Å; L418-L422 HydrophobicContact CD1-CD1 4.44Å; L418-L422 HydrophobicContact CG-CD1 4.32Å; L418-L422 PolarHBondContact O-N 3.07Å; L418-V436 HydrophobicContact CB-CG2 4.38Å; L418-V436 HydrophobicContact CD2-CG2 4.13Å; L418-V436 HydrophobicContact CG-CG2 3.9Å; L418-I439 HydrophobicContact CD2-CD1 3.69Å; L418-I439 HydrophobicContact CD2-CG1 4.48Å; L418-W440 HydrophobicContact CD2-CE3 4.34Å; L418-W440 HydrophobicContact CD2-CZ3 4.23Å
419	R	95.8	Very high	88.6	Confident	35 Å²	35	54.6 Å²	54.6	13%	0.132	31%	0.31	C	S	.	.	H	α-helix	trans	-55	-48.1	173	-72.1	-174.3	178.6	88.3	13.6	111.2	E415 E416 L421 L422 I423 D433 V436	E415-R419 PolarHBondContact O-N 2.96Å; E415-R419 IonicContact OE1-CZ 3.33Å; E415-R419 VanDerWaalsContact OE1-CZ 3.25Å; E415-R419 IonicContact OE1-NH1 2.62Å; E415-R419 PolarHBondContact OE1-NH1 2.89Å; E415-R419 IonicContact OE1-NH2 2.61Å; E415-R419 PolarHBondContact OE1-NH2 3.33Å; E416-R419 PolarHBondContact O-N 2.85Å; E416-R419 IonicContact OE1-CZ 2.66Å; E416-R419 IonicContact OE1-NE 3.28Å; E416-R419 IonicContact OE1-NH1 2.62Å; E416-R419 PolarHBondContact OE1-NH1 3.34Å; R419-L421 PolarHBondContact O-N 3.27Å; R419-L422 PolarHBondContact O-N 3.4Å; R419-I423 WeakPolarHBondContact O-CG1 3.36Å; R419-I423 PolarHBondContact O-N 2.67Å; R419-I423 VanDerWaalsContact O-N 3.15Å; R419-D433 IonicContact CZ-OD1 2.64Å; R419-D433 IonicContact NE-OD1 3.22Å; R419-D433 PolarHBondContact NE-OD1 3.43Å; R419-D433 IonicContact NH2-OD1 3.71Å; R419-D433 PolarHBondContact NH2-OD1 3.46Å; R419-V436 HydrophobicContact CG-CB 4.13Å; R419-V436 HydrophobicContact CG-CG1 4.23Å; R419-V436 HydrophobicContact CG-CG2 3.71Å
420	H	94	Very high	90.1	Very high	109 Å²	109	61.7 Å²	61.7	51%	0.505	33%	0.334	S	S	.	.	H	α-helix	trans	-65.7	-38.5	178.5	-74.8	81	0	0	0	112.6	E416 L418 L422 I423 L424	E416-H420 PolarHBondContact O-N 3.32Å; E416-H420 PolarHBondContact O-ND1 2.68Å; E416-H420 IonicContact OE2-CE1 3.33Å; L418-H420 VanDerWaalsContact C-N 3.32Å; L418-H420 PolarHBondContact O-N 2.88Å; H420-L422 VanDerWaalsContact C-N 3.34Å; H420-L422 PolarHBondContact O-N 3.08Å; H420-I423 PolarHBondContact O-N 2.84Å; H420-L424 WeakPolarHBondContact O-CB 3.43Å; H420-L424 VanDerWaalsContact O-CG 3.3Å; H420-L424 WeakPolarHBondContact O-CG 3.34Å; H420-L424 PolarHBondContact O-N 3.07Å
421	L	93.8	Very high	91.4	Very high	12 Å²	12	62.7 Å²	62.7	6%	0.063	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-40.4	178	-176.1	66.7	0	0	0	111.9	L384 T387 F388 I391 C417 L418 R419 L424 K425	L384-L421 HydrophobicContact CD1-CD1 4.49Å; L384-L421 HydrophobicContact CD1-CD2 3.79Å; L384-L421 HydrophobicContact CD1-CG 3.73Å; T387-L421 HydrophobicContact CG2-CD1 4.09Å; T387-L421 HydrophobicContact CG2-CD2 4.27Å; F388-L421 HydrophobicContact CB-CD2 4.01Å; F388-L421 HydrophobicContact CD2-CD2 4.13Å; I391-L421 HydrophobicContact CD1-CD1 4.01Å; I391-L421 HydrophobicContact CD1-CD2 3.9Å; C417-L421 VanDerWaalsContact O-CB 3.32Å; C417-L421 WeakPolarHBondContact O-CB 3.44Å; C417-L421 PolarHBondContact O-N 3.33Å; L418-L421 PolarHBondContact O-N 2.95Å; R419-L421 PolarHBondContact O-N 3.27Å; L421-L424 PolarHBondContact O-N 2.64Å; L421-K425 WeakPolarHBondContact O-CB 3.5Å; L421-K425 VanDerWaalsContact O-CG 3.32Å; L421-K425 WeakPolarHBondContact O-CG 3.39Å; L421-K425 PolarHBondContact O-N 3.05Å; L421-K425 VanDerWaalsContact O-N 3.11Å
422	L	96.9	Very high	92.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-48.9	173.5	-77.5	157.1	0	0	0	111.1	L376 A380 L384 L418 R419 H420 L424 K425 G426 Y427 S432 I435 V436	L376-L422 HydrophobicContact CD1-CD2 4.43Å; A380-L422 HydrophobicContact CB-CD2 4.16Å; L384-L422 HydrophobicContact CD2-CD2 3.35Å; L384-L422 HydrophobicContact CD2-CG 4.06Å; L418-L422 HydrophobicContact CD1-CD1 4.44Å; L418-L422 HydrophobicContact CG-CD1 4.32Å; L418-L422 PolarHBondContact O-N 3.07Å; R419-L422 PolarHBondContact O-N 3.4Å; H420-L422 VanDerWaalsContact C-N 3.34Å; H420-L422 PolarHBondContact O-N 3.08Å; L422-L424 VanDerWaalsContact C-N 3.31Å; L422-L424 PolarHBondContact O-N 2.88Å; L422-K425 CarbonylContact O-C 3.55Å; L422-K425 WeakPolarHBondContact O-CA 3.32Å; L422-K425 PolarHBondContact O-N 2.85Å; L422-G426 PolarHBondContact O-N 3.36Å; L422-Y427 HydrophobicContact CB-CD2 4.33Å; L422-Y427 HydrophobicContact CB-CG 4.39Å; L422-Y427 HydrophobicContact CD2-CD1 4.29Å; L422-Y427 HydrophobicContact CD2-CD2 3.73Å; L422-Y427 HydrophobicContact CD2-CE2 4.02Å; L422-Y427 HydrophobicContact CD2-CG 3.89Å; L422-Y427 WeakPolarHBondContact O-CB 3.39Å; L422-Y427 WeakPolarHBondContact O-CD2 3.16Å; L422-Y427 PolarHBondContact O-N 3.22Å; L422-Y427 VanDerWaalsContact O-N 3.12Å; L422-S432 WeakPolarHBondContact CB-OG 3.21Å; L422-I435 HydrophobicContact CD1-CB 4.19Å; L422-I435 HydrophobicContact CD1-CG2 3.9Å; L422-I435 HydrophobicContact CD2-CD1 4.03Å; L422-I435 HydrophobicContact CD2-CG2 4.19Å; L422-V436 HydrophobicContact CD1-CG2 3.66Å
423	I	95.1	Very high	93	Very high	70 Å²	70	57.7 Å²	57.7	36%	0.359	31%	0.305	S	S	.	.	H	α-helix	trans	-57.6	-44.9	177.2	-65	166	0	0	0	111.1	R419 H420 K425 G426 Y427 V429 S432	R419-I423 WeakPolarHBondContact O-CG1 3.36Å; R419-I423 PolarHBondContact O-N 2.67Å; R419-I423 VanDerWaalsContact O-N 3.15Å; H420-I423 PolarHBondContact O-N 2.84Å; I423-K425 PolarHBondContact O-N 2.77Å; I423-G426 PolarHBondContact O-N 2.64Å; I423-G426 VanDerWaalsContact O-N 3.1Å; I423-Y427 WeakPolarHBondContact CA-O 3.48Å; I423-V429 HydrophobicContact CD1-CG2 4.14Å; I423-S432 WeakPolarHBondContact CG1-OG 3.17Å
424	L	92.7	Very high	93.9	Very high	125 Å²	125	60.3 Å²	60.3	65%	0.654	32%	0.318	S	S	*	.	H	α-helix	trans	-63.8	-24.6	177.7	-73.1	172.4	0	0	0	113.5	H420 L421 L422 G426	H420-L424 WeakPolarHBondContact O-CB 3.43Å; H420-L424 VanDerWaalsContact O-CG 3.3Å; H420-L424 WeakPolarHBondContact O-CG 3.34Å; H420-L424 PolarHBondContact O-N 3.07Å; L421-L424 PolarHBondContact O-N 2.64Å; L422-L424 VanDerWaalsContact C-N 3.31Å; L422-L424 PolarHBondContact O-N 2.88Å; L424-G426 VanDerWaalsContact C-N 3.33Å
425	K	92.7	Very high	94.3	Very high	87 Å²	87	60.9 Å²	60.9	38%	0.378	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	7.8	178.3	-71.2	-88.5	-171.1	167.5	0	112.9	D383 L384 L421 L422 I423 Y427	D383-K425 IonicContact OD2-NZ 2.67Å; D383-K425 PolarHBondContact OD2-NZ 3.38Å; L384-K425 HydrophobicContact CD1-CB 4.28Å; L384-K425 HydrophobicContact CD1-CD 4.28Å; L384-K425 HydrophobicContact CD1-CG 3.71Å; L421-K425 WeakPolarHBondContact O-CB 3.5Å; L421-K425 VanDerWaalsContact O-CG 3.32Å; L421-K425 WeakPolarHBondContact O-CG 3.39Å; L421-K425 PolarHBondContact O-N 3.05Å; L421-K425 VanDerWaalsContact O-N 3.11Å; L422-K425 CarbonylContact O-C 3.55Å; L422-K425 WeakPolarHBondContact O-CA 3.32Å; L422-K425 PolarHBondContact O-N 2.85Å; I423-K425 PolarHBondContact O-N 2.77Å; K425-Y427 HydrophobicContact CB-CD2 4.27Å; K425-Y427 HydrophobicContact CB-CE2 4.37Å
426	G	93.5	Very high	94.5	Very high	67 Å²	67	59.1 Å²	59.1	69%	0.691	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.2	1.5	170.8	0	0	0	0	0	115.2	L422 I423 L424	L422-G426 PolarHBondContact O-N 3.36Å; I423-G426 PolarHBondContact O-N 2.64Å; I423-G426 VanDerWaalsContact O-N 3.1Å; L424-G426 VanDerWaalsContact C-N 3.33Å
427	Y	94.5	Very high	94.8	Very high	46 Å²	46	60.1 Å²	60.1	18%	0.18	32%	0.321	C	S	.	.			trans	-72.8	140.4	174.1	-65	-95.7	0	0	0	109.8	A380 L384 L422 I423 K425 E431 S432 I435	A380-Y427 VanDerWaalsContact C-OH 3.31Å; A380-Y427 VanDerWaalsContact CA-OH 3.27Å; A380-Y427 WeakPolarHBondContact CA-OH 3.41Å; A380-Y427 HydrophobicContact CB-CE1 4.15Å; A380-Y427 HydrophobicContact CB-CE2 4.35Å; A380-Y427 WeakPolarHBondContact CB-OH 3.43Å; A380-Y427 PolarHBondContact O-OH 3.12Å; L384-Y427 HydrophobicContact CD2-CE2 4.21Å; L422-Y427 HydrophobicContact CB-CD2 4.33Å; L422-Y427 HydrophobicContact CB-CG 4.39Å; L422-Y427 HydrophobicContact CD2-CD1 4.29Å; L422-Y427 HydrophobicContact CD2-CD2 3.73Å; L422-Y427 HydrophobicContact CD2-CE2 4.02Å; L422-Y427 HydrophobicContact CD2-CG 3.89Å; L422-Y427 WeakPolarHBondContact O-CB 3.39Å; L422-Y427 WeakPolarHBondContact O-CD2 3.16Å; L422-Y427 PolarHBondContact O-N 3.22Å; L422-Y427 VanDerWaalsContact O-N 3.12Å; I423-Y427 WeakPolarHBondContact CA-O 3.48Å; K425-Y427 HydrophobicContact CB-CD2 4.27Å; K425-Y427 HydrophobicContact CB-CE2 4.37Å; Y427-E431 HydrophobicContact CD1-CG 4.09Å; Y427-S432 WeakPolarHBondContact CB-OG 3.25Å; Y427-I435 HydrophobicContact CD1-CD1 3.49Å; Y427-I435 VanDerWaalsContact CD1-CD1 3.49Å; Y427-I435 HydrophobicContact CE1-CD1 3.73Å; Y427-I435 HydrophobicContact CG-CD1 4.33Å
428	G	94.9	Very high	94.9	Very high	37 Å²	37	64 Å²	64	38%	0.381	34%	0.337	S	S	.	.			trans	-64.5	161.1	176.5	0	0	0	0	0	112	K430 E431 S432	G428-K430 PolarHBondContact O-N 3.41Å; G428-E431 PolarHBondContact N-OE2 2.9Å; G428-E431 VanDerWaalsContact N-OE2 3.12Å; G428-E431 PolarHBondContact O-N 2.85Å; G428-S432 VanDerWaalsContact O-CB 3.29Å; G428-S432 WeakPolarHBondContact O-CB 3.23Å; G428-S432 PolarHBondContact O-N 2.95Å; G428-S432 PolarHBondContact O-OG 3.42Å
429	V	95.2	Very high	94.8	Very high	107 Å²	107	64.1 Å²	64.1	65%	0.648	34%	0.338	S	S	*	.	H	α-helix	trans	-59	-46.2	178.7	177.3	0	0	0	0	111.7	I423 S432 D433	I423-V429 HydrophobicContact CD1-CG2 4.14Å; V429-S432 PolarHBondContact O-N 2.9Å; V429-D433 PolarHBondContact O-N 3.48Å; V429-D433 VanDerWaalsContact O-N 3.12Å
430	K	95.8	Very high	94.6	Very high	173 Å²	173	64.7 Å²	64.7	75%	0.752	34%	0.34	S	S	*	.	H	α-helix	trans	-65	-45.6	178	-69.9	-172.8	176.9	-175.6	0	112.1	G428 S432 D433 E434	G428-K430 PolarHBondContact O-N 3.41Å; K430-S432 VanDerWaalsContact C-N 3.32Å; K430-S432 PolarHBondContact O-N 3.39Å; K430-D433 PolarHBondContact O-N 3.23Å; K430-E434 WeakPolarHBondContact O-CG 3.49Å; K430-E434 PolarHBondContact O-N 2.94Å
431	E	96.5	Very high	94.3	Very high	93 Å²	93	61.5 Å²	61.5	44%	0.435	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-41.2	178.1	-177.1	-177.8	-160.9	0	0	111.6	Y427 G428 D433 E434 I435	Y427-E431 HydrophobicContact CD1-CG 4.09Å; G428-E431 PolarHBondContact N-OE2 2.9Å; G428-E431 VanDerWaalsContact N-OE2 3.12Å; G428-E431 PolarHBondContact O-N 2.85Å; E431-D433 VanDerWaalsContact C-N 3.34Å; E431-D433 PolarHBondContact O-N 3.22Å; E431-E434 PolarHBondContact O-N 3.48Å; E431-I435 HydrophobicContact CG-CD1 4.01Å; E431-I435 WeakPolarHBondContact O-CB 3.18Å; E431-I435 VanDerWaalsContact O-CG1 3.27Å; E431-I435 WeakPolarHBondContact O-CG1 3.49Å; E431-I435 PolarHBondContact O-N 3.28Å
432	S	95.5	Very high	93.5	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.007	36%	0.358	C	S	.	.	H	α-helix	trans	-61.8	-43	176.3	-59.4	0	0	0	0	111.5	L422 I423 Y427 G428 V429 K430 I435 V436	L422-S432 WeakPolarHBondContact CB-OG 3.21Å; I423-S432 WeakPolarHBondContact CG1-OG 3.17Å; Y427-S432 WeakPolarHBondContact CB-OG 3.25Å; G428-S432 VanDerWaalsContact O-CB 3.29Å; G428-S432 WeakPolarHBondContact O-CB 3.23Å; G428-S432 PolarHBondContact O-N 2.95Å; G428-S432 PolarHBondContact O-OG 3.42Å; V429-S432 PolarHBondContact O-N 2.9Å; K430-S432 VanDerWaalsContact C-N 3.32Å; K430-S432 PolarHBondContact O-N 3.39Å; S432-I435 PolarHBondContact O-N 3.16Å; S432-V436 WeakPolarHBondContact O-CG2 3.4Å; S432-V436 PolarHBondContact O-N 3.26Å
433	D	95.2	Very high	92.4	Very high	63 Å²	63	67.2 Å²	67.2	34%	0.337	37%	0.366	S	S	.	.	H	α-helix	trans	-66.4	-43.3	176.9	-165.6	54.9	0	0	0	111.8	R419 V429 K430 E431 I435 V436 N437	R419-D433 IonicContact CZ-OD1 2.64Å; R419-D433 IonicContact NE-OD1 3.22Å; R419-D433 PolarHBondContact NE-OD1 3.43Å; R419-D433 IonicContact NH2-OD1 3.71Å; R419-D433 PolarHBondContact NH2-OD1 3.46Å; V429-D433 PolarHBondContact O-N 3.48Å; V429-D433 VanDerWaalsContact O-N 3.12Å; K430-D433 PolarHBondContact O-N 3.23Å; E431-D433 VanDerWaalsContact C-N 3.34Å; E431-D433 PolarHBondContact O-N 3.22Å; D433-I435 PolarHBondContact O-N 2.87Å; D433-V436 PolarHBondContact O-N 3.16Å; D433-N437 VanDerWaalsContact O-CB 3.32Å; D433-N437 WeakPolarHBondContact O-CB 3.17Å; D433-N437 PolarHBondContact O-N 2.95Å; D433-N437 PolarHBondContact O-ND2 3.07Å; D433-N437 VanDerWaalsContact O-ND2 3.08Å; D433-N437 PolarHBondContact OD2-ND2 2.78Å; D433-N437 VanDerWaalsContact OD2-ND2 3.07Å
434	E	96.4	Very high	91.1	Very high	115 Å²	115	66.4 Å²	66.4	54%	0.537	37%	0.366	S	S	.	.	H	α-helix	trans	-60.3	-43.4	175	-73.9	173.1	-164.1	0	0	112.3	K430 E431 Q438	K430-E434 WeakPolarHBondContact O-CG 3.49Å; K430-E434 PolarHBondContact O-N 2.94Å; E431-E434 PolarHBondContact O-N 3.48Å; E434-Q438 WeakPolarHBondContact O-CB 3.42Å; E434-Q438 VanDerWaalsContact O-CG 3.24Å; E434-Q438 WeakPolarHBondContact O-CG 3.35Å; E434-Q438 PolarHBondContact O-N 2.98Å; E434-Q438 VanDerWaalsContact O-N 3.1Å
435	I	96.4	Very high	89.7	Confident	13 Å²	13	62.6 Å²	62.6	7%	0.067	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-51.7	175.9	-71.2	167.4	0	0	0	109.8	L376 K379 L422 Y427 E431 S432 D433 N437 Q438 I439	L376-I435 HydrophobicContact CD1-CG2 4.39Å; K379-I435 HydrophobicContact CB-CG2 4.42Å; L422-I435 HydrophobicContact CD1-CB 4.19Å; L422-I435 HydrophobicContact CD1-CG2 3.9Å; L422-I435 HydrophobicContact CD2-CD1 4.03Å; L422-I435 HydrophobicContact CD2-CG2 4.19Å; Y427-I435 HydrophobicContact CD1-CD1 3.49Å; Y427-I435 VanDerWaalsContact CD1-CD1 3.49Å; Y427-I435 HydrophobicContact CE1-CD1 3.73Å; Y427-I435 HydrophobicContact CG-CD1 4.33Å; E431-I435 HydrophobicContact CG-CD1 4.01Å; E431-I435 WeakPolarHBondContact O-CB 3.18Å; E431-I435 VanDerWaalsContact O-CG1 3.27Å; E431-I435 WeakPolarHBondContact O-CG1 3.49Å; E431-I435 PolarHBondContact O-N 3.28Å; S432-I435 PolarHBondContact O-N 3.16Å; D433-I435 PolarHBondContact O-N 2.87Å; I435-N437 PolarHBondContact O-N 3.28Å; I435-Q438 PolarHBondContact O-N 3.41Å; I435-Q438 VanDerWaalsContact O-N 3.14Å; I435-I439 HydrophobicContact CG2-CD1 4.06Å; I435-I439 HydrophobicContact CG2-CG2 4.39Å; I435-I439 WeakPolarHBondContact O-CG1 3.37Å; I435-I439 WeakPolarHBondContact O-CG2 3.34Å; I435-I439 PolarHBondContact O-N 3.33Å
436	V	95.7	Very high	88.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-58.3	-47.9	-179.5	170.7	0	0	0	0	110.9	E415 L418 R419 L422 S432 D433 Q438 I439 W440	E415-V436 HydrophobicContact CG-CG1 3.61Å; L418-V436 HydrophobicContact CB-CG2 4.38Å; L418-V436 HydrophobicContact CD2-CG2 4.13Å; L418-V436 HydrophobicContact CG-CG2 3.9Å; R419-V436 HydrophobicContact CG-CB 4.13Å; R419-V436 HydrophobicContact CG-CG1 4.23Å; R419-V436 HydrophobicContact CG-CG2 3.71Å; L422-V436 HydrophobicContact CD1-CG2 3.66Å; S432-V436 WeakPolarHBondContact O-CG2 3.4Å; S432-V436 PolarHBondContact O-N 3.26Å; D433-V436 PolarHBondContact O-N 3.16Å; V436-Q438 PolarHBondContact O-N 2.85Å; V436-I439 PolarHBondContact O-N 2.66Å; V436-W440 WeakPolarHBondContact O-CB 3.4Å; V436-W440 PolarHBondContact O-N 2.92Å
437	N	93.8	Very high	86.7	Confident	93 Å²	93	63.4 Å²	63.4	50%	0.497	34%	0.343	S	S	.	.	H	α-helix	trans	-60.3	-31.6	178.9	-69.2	-28	0	0	0	113.1	D433 I435	D433-N437 VanDerWaalsContact O-CB 3.32Å; D433-N437 WeakPolarHBondContact O-CB 3.17Å; D433-N437 PolarHBondContact O-N 2.95Å; D433-N437 PolarHBondContact O-ND2 3.07Å; D433-N437 VanDerWaalsContact O-ND2 3.08Å; D433-N437 PolarHBondContact OD2-ND2 2.78Å; D433-N437 VanDerWaalsContact OD2-ND2 3.07Å; I435-N437 PolarHBondContact O-N 3.28Å
438	Q	93.6	Very high	85.6	Confident	99 Å²	99	62.2 Å²	62.2	46%	0.463	35%	0.345	S	S	.	.	H	α-helix	trans	-79.2	-36.7	177.6	-73.3	175.7	34.7	0	0	113.4	E434 I435 V436	E434-Q438 WeakPolarHBondContact O-CB 3.42Å; E434-Q438 VanDerWaalsContact O-CG 3.24Å; E434-Q438 WeakPolarHBondContact O-CG 3.35Å; E434-Q438 PolarHBondContact O-N 2.98Å; E434-Q438 VanDerWaalsContact O-N 3.1Å; I435-Q438 PolarHBondContact O-N 3.41Å; I435-Q438 VanDerWaalsContact O-N 3.14Å; V436-Q438 PolarHBondContact O-N 2.85Å
439	I	92.7	Very high	85	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-90.8	-25.4	-173.7	70.6	-177.9	0	0	0	113	R375 L376 K379 L418 I435 V436 I441	R375-I439 HydrophobicContact CB-CB 3.76Å; R375-I439 HydrophobicContact CB-CG2 3.72Å; R375-I439 WeakPolarHBondContact CD-O 3.23Å; L376-I439 HydrophobicContact CB-CD1 4.01Å; L376-I439 HydrophobicContact CD1-CD1 3.71Å; L376-I439 HydrophobicContact CG-CD1 4.37Å; K379-I439 HydrophobicContact CB-CG2 4.12Å; K379-I439 HydrophobicContact CG-CG2 3.87Å; L418-I439 HydrophobicContact CD2-CD1 3.69Å; L418-I439 HydrophobicContact CD2-CG1 4.48Å; I435-I439 HydrophobicContact CG2-CD1 4.06Å; I435-I439 HydrophobicContact CG2-CG2 4.39Å; I435-I439 WeakPolarHBondContact O-CG1 3.37Å; I435-I439 WeakPolarHBondContact O-CG2 3.34Å; I435-I439 PolarHBondContact O-N 3.33Å; V436-I439 PolarHBondContact O-N 2.66Å; I439-I441 PolarHBondContact O-N 3.2Å
440	W	92.6	Very high	84.5	Confident	48 Å²	48	63.5 Å²	63.5	18%	0.182	34%	0.341	C	S	.	.			trans	-67.8	127.3	-172.9	-160	-111.7	0	0	0	111.3	W368 M411 I414 E415 L418 V436	W368-W440 AromaticContact CH2-CH2 3.99Å; W368-W440 HydrophobicContact CH2-CH2 3.99Å; W368-W440 HydrophobicContact CH2-CZ3 4.09Å; W368-W440 HydrophobicContact CZ2-CE3 4.28Å; W368-W440 AromaticContact CZ2-CH2 3.75Å; W368-W440 HydrophobicContact CZ2-CH2 3.75Å; W368-W440 HydrophobicContact CZ2-CZ2 4.13Å; W368-W440 AromaticContact CZ2-CZ3 3.84Å; W368-W440 HydrophobicContact CZ2-CZ3 3.84Å; M411-W440 HydrophobicContact CB-CZ2 4.42Å; M411-W440 HydrophobicContact CE-CH2 3.85Å; M411-W440 HydrophobicContact CE-CZ2 3.31Å; M411-W440 WeakPolarHBondContact O-CZ2 3.32Å; I414-W440 HydrophobicContact CB-CH2 4.07Å; I414-W440 HydrophobicContact CG2-CH2 3.81Å; I414-W440 HydrophobicContact CG2-CZ3 4.38Å; E415-W440 VanDerWaalsContact CA-CH2 3.49Å; E415-W440 HydrophobicContact CB-CD2 4.4Å; E415-W440 HydrophobicContact CB-CE3 4.45Å; E415-W440 HydrophobicContact CB-CH2 3.65Å; E415-W440 HydrophobicContact CB-CZ2 3.55Å; E415-W440 HydrophobicContact CB-CZ3 4.11Å; E415-W440 HydrophobicContact CG-CD2 3.83Å; E415-W440 HydrophobicContact CG-CE3 4.04Å; E415-W440 HydrophobicContact CG-CG 4.35Å; E415-W440 HydrophobicContact CG-CH2 4.12Å; E415-W440 HydrophobicContact CG-CZ2 3.89Å; E415-W440 HydrophobicContact CG-CZ3 4.19Å; E415-W440 VanDerWaalsContact N-CH2 3.34Å; E415-W440 PolarHBondContact OE2-NE1 3.36Å; L418-W440 HydrophobicContact CD2-CE3 4.34Å; L418-W440 HydrophobicContact CD2-CZ3 4.23Å; V436-W440 WeakPolarHBondContact O-CB 3.4Å; V436-W440 PolarHBondContact O-N 2.92Å
441	I	86	Confident	83.9	Confident	42 Å²	42	56.4 Å²	56.4	22%	0.215	31%	0.311	C	S	.	.			trans	-118	126.4	175.6	-54.2	172.8	0	0	0	106.3	W368 K371 I439 P443	W368-I441 PolarHBondContact NE1-O 3.14Å; K371-I441 HydrophobicContact CB-CD1 3.67Å; K371-I441 HydrophobicContact CD-CD1 4.16Å; K371-I441 HydrophobicContact CG-CD1 4.42Å; I439-I441 PolarHBondContact O-N 3.2Å; I441-P443 WeakPolarHBondContact O-CD 3.01Å
442	C	77.8	Confident	83.3	Confident	109 Å²	109	55 Å²	55	74%	0.736	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-64.1	124.5	170.9	-162.7	0	0	0	0	108.6
443	P	73	Confident	82.9	Confident	23 Å²	23	60.4 Å²	60.4	15%	0.149	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-53.1	141.9	177.7	-24.3	32.3	0	0	0	111.2	W365 W368 M411 I441	W365-P443 HydrophobicContact CH2-CB 4.24Å; W365-P443 HydrophobicContact CH2-CG 3.92Å; W365-P443 HydrophobicContact CZ3-CB 4.07Å; W365-P443 HydrophobicContact CZ3-CG 3.63Å; W368-P443 HydrophobicContact CG-CG 4.29Å; M411-P443 HydrophobicContact CE-CG 3.58Å; M411-P443 HydrophobicContact CG-CG 4.35Å; M411-P443 HydrophobicContact SD-CG 3.98Å; I441-P443 WeakPolarHBondContact O-CD 3.01Å
444	S	68.6	Low	82.7	Confident	53 Å²	53	57.4 Å²	57.4	37%	0.371	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-58.5	142.3	178.3	59.1	0	0	0	0	110.6	R364 I446	R364-S444 PolarHBondContact NE-O 2.83Å; R364-S444 PolarHBondContact NH2-O 3.22Å; S444-I446 VanDerWaalsContact C-N 3.26Å
445	S	62.9	Low	82.5	Confident	45 Å²	45	53.4 Å²	53.4	32%	0.315	31%	0.306	S	S	.	.			trans	-86.7	0.5	170.4	68.8	0	0	0	0	112.7	D481	S445-D481 PolarHBondContact OG-OD2 2.69Å; S445-D481 VanDerWaalsContact OG-OD2 3.07Å
446	I	62.9	Low	82.3	Confident	125 Å²	125	57 Å²	57	64%	0.641	32%	0.323	S	S	*	.	S	Bend	trans	-61.6	130.2	178.6	-58.7	174.3	0	0	0	107.9	S444 G448	S444-I446 VanDerWaalsContact C-N 3.26Å; I446-G448 PolarHBondContact O-N 2.95Å
447	P	61.4	Low	82.2	Confident	45 Å²	45	57.2 Å²	57.2	29%	0.292	32%	0.324	S	S	.	.			trans	-52.8	124.6	176.2	-14.8	18.7	0	0	0	110.1	S485	P447-S485 WeakPolarHBondContact CB-OG 3.36Å; P447-S485 WeakPolarHBondContact CG-OG 3.3Å
448	G	70.8	Confident	82.3	Confident	21 Å²	21	52.8 Å²	52.8	22%	0.216	30%	0.301	C	S	.	.			trans	-68.9	177.8	176.4	0	0	0	0	0	112.1	I446 T450	I446-G448 PolarHBondContact O-N 2.95Å; G448-T450 PolarHBondContact O-N 3.01Å
449	I	81.7	Confident	82.4	Confident	111 Å²	111	50.8 Å²	50.8	57%	0.569	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-61.7	122.4	175.2	-59.9	174.2	0	0	0	108.4	N360 P363	N360-I449 WeakPolarHBondContact CB-O 2.98Å; N360-I449 PolarHBondContact N-O 2.62Å; P363-I449 HydrophobicContact CB-CD1 4.29Å; P363-I449 HydrophobicContact CG-CD1 4.15Å
450	T	86.2	Confident	82.5	Confident	61 Å²	61	52.3 Å²	52.3	37%	0.374	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-73.5	143.5	177.1	52.8	0	0	0	0	110.8	F358 G448 V486	F358-T450 CarbonylContact O-C 3.49Å; F358-T450 VanDerWaalsContact O-CA 3.25Å; F358-T450 WeakPolarHBondContact O-CA 3.28Å; G448-T450 PolarHBondContact O-N 3.01Å; T450-V486 HydrophobicContact CG2-CG1 3.67Å
451	I	83.4	Confident	82.6	Confident	24 Å²	24	50 Å²	50	12%	0.123	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-70.2	139.6	170.3	-60.8	155.8	0	0	0	108.1	G356 F358 N360 D453 T454 N570	G356-I451 WeakPolarHBondContact O-CD1 3.3Å; F358-I451 PolarHBondContact O-N 2.84Å; N360-I451 HydrophobicContact CB-CG1 4.34Å; I451-D453 PolarHBondContact O-N 3.44Å; I451-T454 HydrophobicContact CB-CG2 3.62Å; I451-T454 HydrophobicContact CG2-CG2 3.6Å; I451-T454 PolarHBondContact O-OG1 3Å; I451-N570 HydrophobicContact CG2-CB 4.14Å
452	S	82.6	Confident	83.1	Confident	63 Å²	63	51.4 Å²	51.4	44%	0.441	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	138.5	-178	-53.2	0	0	0	0	111.8	T454	S452-T454 PolarHBondContact O-N 2.84Å
453	D	87	Confident	83.9	Confident	115 Å²	115	53.1 Å²	53.1	62%	0.615	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	4.1	172.2	-48.4	-44.3	0	0	0	116.7	I451 I455 E456 A457	I451-D453 PolarHBondContact O-N 3.44Å; D453-I455 VanDerWaalsContact C-N 3.33Å; D453-I455 PolarHBondContact O-N 2.84Å; D453-E456 PolarHBondContact O-N 2.96Å; D453-A457 WeakPolarHBondContact O-CB 3.49Å; D453-A457 PolarHBondContact O-N 3.39Å
454	T	90.5	Very high	84.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-71.6	-29.9	178.9	63.2	0	0	0	0	112.7	S357 I451 S452 V458 L571	S357-T454 WeakPolarHBondContact O-CG2 3.19Å; I451-T454 HydrophobicContact CB-CG2 3.62Å; I451-T454 HydrophobicContact CG2-CG2 3.6Å; I451-T454 PolarHBondContact O-OG1 3Å; S452-T454 PolarHBondContact O-N 2.84Å; T454-V458 PolarHBondContact O-N 3.44Å; T454-L571 HydrophobicContact CG2-CB 3.86Å
455	I	93.1	Very high	85.9	Confident	31 Å²	31	55.7 Å²	55.7	16%	0.159	31%	0.313	C	S	.	.	H	α-helix	trans	-69	-44.2	173.9	-54.1	-56.2	0	0	0	110.1	F358 D453 A457 V458 K459 V486 L488	F358-I455 HydrophobicContact CD1-CD1 4Å; D453-I455 VanDerWaalsContact C-N 3.33Å; D453-I455 PolarHBondContact O-N 2.84Å; I455-A457 VanDerWaalsContact C-N 3.32Å; I455-A457 PolarHBondContact O-N 3.35Å; I455-V458 PolarHBondContact O-N 3.47Å; I455-K459 PolarHBondContact O-N 2.74Å; I455-V486 HydrophobicContact CD1-CB 3.73Å; I455-V486 HydrophobicContact CD1-CG1 4Å; I455-V486 HydrophobicContact CD1-CG2 3.87Å; I455-V486 HydrophobicContact CG1-CB 4.34Å; I455-L488 HydrophobicContact CD1-CD1 3.57Å; I455-L488 HydrophobicContact CD1-CG 4.24Å; I455-L488 HydrophobicContact CG2-CD1 4.35Å; I455-L488 HydrophobicContact CG2-CD2 3.89Å; I455-L488 HydrophobicContact CG2-CG 4.04Å
456	E	93.2	Very high	87.5	Confident	88 Å²	88	54.1 Å²	54.1	41%	0.411	30%	0.301	S	S	.	.	H	α-helix	trans	-65.2	-39.6	178.8	-162.7	56.6	-148.5	0	0	111.1	D453 V458 K459 T460	D453-E456 PolarHBondContact O-N 2.96Å; E456-V458 VanDerWaalsContact C-N 3.29Å; E456-V458 PolarHBondContact O-N 3.43Å; E456-K459 WeakPolarHBondContact O-CA 3.25Å; E456-K459 WeakPolarHBondContact O-CB 3.49Å; E456-K459 PolarHBondContact O-N 3.33Å; E456-K459 IonicContact OE2-NZ 2.74Å; E456-K459 PolarHBondContact OE2-NZ 3.34Å; E456-T460 PolarHBondContact O-N 3.33Å; E456-T460 PolarHBondContact O-OG1 3.35Å; E456-T460 VanDerWaalsContact O-OG1 3.13Å
457	A	92.1	Very high	89.1	Confident	4 Å²	4	52.3 Å²	52.3	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-56.8	-39.6	174.3	0	0	0	0	0	113.4	D453 I455 K459 T460 L461 P575	D453-A457 WeakPolarHBondContact O-CB 3.49Å; D453-A457 PolarHBondContact O-N 3.39Å; I455-A457 VanDerWaalsContact C-N 3.32Å; I455-A457 PolarHBondContact O-N 3.35Å; A457-K459 VanDerWaalsContact C-N 3.34Å; A457-K459 PolarHBondContact O-N 2.72Å; A457-T460 PolarHBondContact O-N 3.21Å; A457-L461 VanDerWaalsContact O-CG 3.26Å; A457-L461 WeakPolarHBondContact O-CG 3.3Å; A457-L461 PolarHBondContact O-N 3.5Å; A457-P575 HydrophobicContact CB-CG 3.71Å
458	V	96.7	Very high	90.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-39	174.5	167.5	0	0	0	0	112	I352 F358 T454 I455 E456 L461 R462 V468 L488 I492 L571	I352-V458 HydrophobicContact CD1-CG2 4.08Å; F358-V458 HydrophobicContact CE1-CG2 3.44Å; F358-V458 VanDerWaalsContact CE1-CG2 3.44Å; F358-V458 HydrophobicContact CZ-CG2 3.57Å; T454-V458 PolarHBondContact O-N 3.44Å; I455-V458 PolarHBondContact O-N 3.47Å; E456-V458 VanDerWaalsContact C-N 3.29Å; E456-V458 PolarHBondContact O-N 3.43Å; V458-L461 PolarHBondContact O-N 2.84Å; V458-R462 WeakPolarHBondContact O-CG 3.15Å; V458-R462 PolarHBondContact O-N 3.3Å; V458-R462 VanDerWaalsContact O-N 3.1Å; V458-V468 HydrophobicContact CG1-CG1 4.21Å; V458-V468 HydrophobicContact CG2-CG1 4.5Å; V458-L488 HydrophobicContact CB-CD2 4.22Å; V458-L488 HydrophobicContact CG1-CD2 3.89Å; V458-I492 HydrophobicContact CG1-CD1 4.07Å; V458-L571 HydrophobicContact CG2-CD2 4.35Å
459	K	95.5	Very high	92.2	Very high	57 Å²	57	49.2 Å²	49.2	25%	0.248	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-45.8	175.4	-57	-173.4	-161.3	147.2	0	111	I455 E456 A457 L461 R462 E463 Y491	I455-K459 PolarHBondContact O-N 2.74Å; E456-K459 WeakPolarHBondContact O-CA 3.25Å; E456-K459 WeakPolarHBondContact O-CB 3.49Å; E456-K459 PolarHBondContact O-N 3.33Å; E456-K459 IonicContact OE2-NZ 2.74Å; E456-K459 PolarHBondContact OE2-NZ 3.34Å; A457-K459 VanDerWaalsContact C-N 3.34Å; A457-K459 PolarHBondContact O-N 2.72Å; K459-L461 VanDerWaalsContact C-N 3.3Å; K459-L461 PolarHBondContact O-N 3.45Å; K459-R462 WeakPolarHBondContact O-CA 3.43Å; K459-R462 WeakPolarHBondContact O-CB 3.44Å; K459-R462 PolarHBondContact O-N 3.46Å; K459-E463 WeakPolarHBondContact O-CG 3.44Å; K459-E463 PolarHBondContact O-N 2.95Å; K459-Y491 HydrophobicContact CB-CD1 4.27Å; K459-Y491 HydrophobicContact CB-CE1 3.97Å; K459-Y491 HydrophobicContact CD-CE1 4.19Å; K459-Y491 HydrophobicContact CG-CD1 3.95Å; K459-Y491 HydrophobicContact CG-CE1 3.65Å
460	T	94.3	Very high	92.9	Very high	33 Å²	33	44 Å²	44	20%	0.202	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-42	175.6	-49.7	0	0	0	0	111.6	E456 A457 R462 E463 I464 P575 I579	E456-T460 PolarHBondContact O-N 3.33Å; E456-T460 PolarHBondContact O-OG1 3.35Å; E456-T460 VanDerWaalsContact O-OG1 3.13Å; A457-T460 PolarHBondContact O-N 3.21Å; T460-R462 VanDerWaalsContact C-N 3.28Å; T460-R462 PolarHBondContact O-N 3.22Å; T460-E463 PolarHBondContact O-N 3.49Å; T460-I464 WeakPolarHBondContact O-CG1 3.34Å; T460-I464 PolarHBondContact O-N 3.1Å; T460-P575 HydrophobicContact CG2-CB 3.78Å; T460-P575 HydrophobicContact CG2-CG 4.3Å; T460-I579 HydrophobicContact CG2-CD1 3.78Å
461	L	95.2	Very high	93.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-37.4	174.8	-68.1	170.6	0	0	0	112.3	A457 V458 K459 I464 L466 V468 L574 P575 F578	A457-L461 VanDerWaalsContact O-CG 3.26Å; A457-L461 WeakPolarHBondContact O-CG 3.3Å; A457-L461 PolarHBondContact O-N 3.5Å; V458-L461 PolarHBondContact O-N 2.84Å; K459-L461 VanDerWaalsContact C-N 3.3Å; K459-L461 PolarHBondContact O-N 3.45Å; L461-I464 HydrophobicContact CD2-CD1 4.16Å; L461-I464 WeakPolarHBondContact O-CG1 3.32Å; L461-L466 HydrophobicContact CD2-CD1 3.83Å; L461-L466 WeakPolarHBondContact O-CB 3.48Å; L461-L466 PolarHBondContact O-N 3.11Å; L461-V468 HydrophobicContact CB-CG2 4.04Å; L461-L574 HydrophobicContact CD1-CD2 3.92Å; L461-L574 HydrophobicContact CD1-CG 4.45Å; L461-L574 HydrophobicContact CD2-CG 4.42Å; L461-P575 HydrophobicContact CD2-CB 4.33Å; L461-P575 HydrophobicContact CD2-CG 4.27Å; L461-P575 HydrophobicContact CG-CG 4.22Å; L461-F578 HydrophobicContact CD2-CD2 3.69Å; L461-F578 HydrophobicContact CD2-CE2 3.85Å
462	R	95.8	Very high	93.8	Very high	72 Å²	72	40.3 Å²	40.3	27%	0.272	21%	0.214	S	C	.	.	H	α-helix	trans	-70.7	-41.2	176	-68.4	-67.2	-69.3	-173.4	-22.4	112.2	V458 K459 T460 I464 G465 L466 V468 Y491 D493	V458-R462 WeakPolarHBondContact O-CG 3.15Å; V458-R462 PolarHBondContact O-N 3.3Å; V458-R462 VanDerWaalsContact O-N 3.1Å; K459-R462 WeakPolarHBondContact O-CA 3.43Å; K459-R462 WeakPolarHBondContact O-CB 3.44Å; K459-R462 PolarHBondContact O-N 3.46Å; T460-R462 VanDerWaalsContact C-N 3.28Å; T460-R462 PolarHBondContact O-N 3.22Å; R462-I464 VanDerWaalsContact C-N 3.3Å; R462-I464 PolarHBondContact O-N 3.26Å; R462-G465 WeakPolarHBondContact O-CA 3.47Å; R462-G465 PolarHBondContact O-N 3.25Å; R462-L466 VanDerWaalsContact CD-O 3.3Å; R462-L466 WeakPolarHBondContact CD-O 3.35Å; R462-L466 PolarHBondContact NH1-O 3.34Å; R462-V468 HydrophobicContact CG-CG2 4.14Å; R462-Y491 HydrophobicContact CB-CD1 4.13Å; R462-Y491 WeakPolarHBondContact CD-O 3.03Å; R462-Y491 HydrophobicContact CG-CD1 3.91Å; R462-D493 IonicContact CZ-OD1 3.54Å; R462-D493 VanDerWaalsContact CZ-OD1 3.31Å; R462-D493 IonicContact CZ-OD2 3.2Å; R462-D493 IonicContact NH1-OD1 2.89Å; R462-D493 PolarHBondContact NH1-OD1 3.37Å; R462-D493 VanDerWaalsContact NH1-OD1 3.14Å; R462-D493 IonicContact NH1-OD2 3.94Å; R462-D493 PolarHBondContact NH1-OD2 2.88Å; R462-D493 IonicContact NH2-OD1 2.74Å; R462-D493 PolarHBondContact NH2-OD1 3.4Å
463	E	94.4	Very high	94	Very high	145 Å²	145	41 Å²	41	68%	0.678	22%	0.219	S	C	*	.	H	α-helix	trans	-61.8	-36.9	177.9	-72.1	172.2	174.9	0	0	112.4	K459 T460 G465	K459-E463 WeakPolarHBondContact O-CG 3.44Å; K459-E463 PolarHBondContact O-N 2.95Å; T460-E463 PolarHBondContact O-N 3.49Å; E463-G465 PolarHBondContact O-N 2.99Å
464	I	91.1	Very high	94	Very high	68 Å²	68	36.8 Å²	36.8	35%	0.349	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	2.9	173.6	67.5	178.7	0	0	0	113.6	T460 L461 R462 L466 F578 I579	T460-I464 WeakPolarHBondContact O-CG1 3.34Å; T460-I464 PolarHBondContact O-N 3.1Å; L461-I464 HydrophobicContact CD2-CD1 4.16Å; L461-I464 WeakPolarHBondContact O-CG1 3.32Å; R462-I464 VanDerWaalsContact C-N 3.3Å; R462-I464 PolarHBondContact O-N 3.26Å; I464-L466 HydrophobicContact CD1-CD1 3.86Å; I464-L466 HydrophobicContact CD1-CG 4.38Å; I464-L466 HydrophobicContact CG1-CD1 4.23Å; I464-L466 HydrophobicContact CG1-CG 4.24Å; I464-F578 HydrophobicContact CD1-CB 3.54Å; I464-F578 HydrophobicContact CD1-CD2 4.33Å; I464-F578 HydrophobicContact CD1-CG 4.29Å; I464-I579 HydrophobicContact CD1-CG1 4.42Å; I464-I579 HydrophobicContact CG2-CD1 4.31Å; I464-I579 HydrophobicContact CG2-CG1 3.93Å
465	G	93.5	Very high	93.8	Very high	62 Å²	62	38.9 Å²	38.9	64%	0.639	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	13.2	171.9	0	0	0	0	0	115.8	R462 E463	R462-G465 WeakPolarHBondContact O-CA 3.47Å; R462-G465 PolarHBondContact O-N 3.25Å; E463-G465 PolarHBondContact O-N 2.99Å
466	L	95.5	Very high	93.6	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.058	22%	0.215	C	C	.	.			trans	-80.9	142.2	173.9	-65.2	171.6	0	0	0	111.2	F347 V350 L461 R462 I464 F578	F347-L466 HydrophobicContact CB-CD2 4.29Å; F347-L466 WeakPolarHBondContact O-CD2 3.47Å; V350-L466 HydrophobicContact CG2-CB 4.42Å; V350-L466 HydrophobicContact CG2-CD1 3.9Å; L461-L466 HydrophobicContact CD2-CD1 3.83Å; L461-L466 WeakPolarHBondContact O-CB 3.48Å; L461-L466 PolarHBondContact O-N 3.11Å; R462-L466 VanDerWaalsContact CD-O 3.3Å; R462-L466 WeakPolarHBondContact CD-O 3.35Å; R462-L466 PolarHBondContact NH1-O 3.34Å; I464-L466 HydrophobicContact CD1-CD1 3.86Å; I464-L466 HydrophobicContact CD1-CG 4.38Å; I464-L466 HydrophobicContact CG1-CD1 4.23Å; I464-L466 HydrophobicContact CG1-CG 4.24Å; L466-F578 HydrophobicContact CD1-CB 4.42Å; L466-F578 HydrophobicContact CD1-CD1 4.23Å; L466-F578 HydrophobicContact CD1-CD2 3.77Å; L466-F578 HydrophobicContact CD1-CE1 4.46Å; L466-F578 HydrophobicContact CD1-CE2 4.02Å; L466-F578 HydrophobicContact CD1-CG 3.88Å; L466-F578 HydrophobicContact CD1-CZ 4.37Å
467	R	97.7	Very high	93.5	Very high	87 Å²	87	42.2 Å²	42.2	33%	0.328	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	140.1	164.7	-61.9	-167.2	72.6	172.7	4.9	109.5	K348 L349 V350 D493 A519	K348-R467 WeakPolarHBondContact O-CB 3.5Å; K348-R467 PolarHBondContact O-N 2.68Å; L349-R467 CarbonylContact C-O 3.6Å; L349-R467 WeakPolarHBondContact CA-O 3.42Å; L349-R467 HydrophobicContact CD1-CB 3.79Å; V350-R467 PolarHBondContact N-O 3.36Å; R467-D493 WeakPolarHBondContact CB-OD2 3.45Å; R467-D493 VanDerWaalsContact CG-OD2 3.3Å; R467-D493 WeakPolarHBondContact CG-OD2 3.43Å; R467-D493 IonicContact CZ-OD2 2.86Å; R467-D493 IonicContact NE-OD2 2.87Å; R467-D493 PolarHBondContact NE-OD2 3.41Å; R467-D493 IonicContact NH2-OD2 2.85Å; R467-D493 PolarHBondContact NH2-OD2 3.42Å; R467-A519 VanDerWaalsContact NH1-C 3.27Å; R467-A519 VanDerWaalsContact NH1-CA 3.31Å; R467-A519 PolarHBondContact NH1-O 3.5Å
468	V	98.2	Very high	93.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134	179.4	-172.4	0	0	0	0	109.2	V350 I352 V458 L461 R462 I492 D493	V350-V468 CarbonylContact O-C 3.58Å; V350-V468 WeakPolarHBondContact O-CA 3.45Å; I352-V468 HydrophobicContact CD1-CG1 3.71Å; I352-V468 HydrophobicContact CG1-CG1 4.36Å; V458-V468 HydrophobicContact CG1-CG1 4.21Å; V458-V468 HydrophobicContact CG2-CG1 4.5Å; L461-V468 HydrophobicContact CB-CG2 4.04Å; R462-V468 HydrophobicContact CG-CG2 4.14Å; V468-I492 HydrophobicContact CB-CD1 4.21Å; V468-I492 HydrophobicContact CG1-CD1 3.66Å; V468-D493 PolarHBondContact O-N 2.78Å
469	A	98.2	Very high	92.9	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.7	177.6	0	0	0	0	0	110.9	L349 V350 I351 I352 T494 I515	L349-A469 HydrophobicContact CD1-CB 4.23Å; V350-A469 PolarHBondContact O-N 2.97Å; I351-A469 WeakPolarHBondContact CA-O 3.45Å; I351-A469 HydrophobicContact CG1-CB 4.39Å; I352-A469 PolarHBondContact N-O 3.15Å; A469-T494 CarbonylContact C-O 3.55Å; A469-T494 WeakPolarHBondContact CA-O 3.49Å; A469-T494 WeakPolarHBondContact CB-O 3.27Å; A469-I515 HydrophobicContact CB-CG2 3.43Å; A469-I515 VanDerWaalsContact CB-CG2 3.43Å
470	I	97.6	Very high	92.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.4	173.8	-67.2	179.2	0	0	0	109.6	I352 K354 F482 L483 I492 T494 T495 M496	I352-I470 WeakPolarHBondContact O-CA 3.45Å; K354-I470 HydrophobicContact CB-CG2 4.22Å; I470-F482 HydrophobicContact CD1-CE1 4.31Å; I470-L483 HydrophobicContact CD1-CD2 3.71Å; I470-L483 HydrophobicContact CD1-CG 4.42Å; I470-I492 HydrophobicContact CB-CG2 4.47Å; I470-I492 HydrophobicContact CD1-CD1 4.26Å; I470-I492 HydrophobicContact CD1-CG1 4.2Å; I470-I492 HydrophobicContact CD1-CG2 4.34Å; I470-I492 HydrophobicContact CG1-CD1 4.15Å; I470-I492 HydrophobicContact CG1-CG1 4.45Å; I470-I492 HydrophobicContact CG1-CG2 4.06Å; I470-T494 PolarHBondContact N-O 3.12Å; I470-T495 HydrophobicContact CB-CG2 4.07Å; I470-T495 HydrophobicContact CG2-CG2 4.06Å; I470-T495 CarbonylContact O-C 3.37Å; I470-T495 WeakPolarHBondContact O-CA 3.48Å; I470-M496 PolarHBondContact O-N 2.89Å
471	N	95.5	Very high	92.5	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.027	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	105.5	169.8	-175.3	9.1	0	0	0	107.9	I351 I352 D353 K506 T511 V512 I515	I351-N471 HydrophobicContact CG2-CB 3.58Å; I352-N471 PolarHBondContact O-N 2.9Å; D353-N471 WeakPolarHBondContact CA-O 3.42Å; N471-K506 VanDerWaalsContact CG-CE 3.42Å; N471-K506 WeakPolarHBondContact ND2-CE 3.33Å; N471-K506 WeakPolarHBondContact O-CE 3.21Å; N471-K506 PolarHBondContact O-NZ 2.82Å; N471-T511 PolarHBondContact ND2-OG1 3.11Å; N471-T511 WeakPolarHBondContact OD1-CB 3.49Å; N471-T511 PolarHBondContact OD1-OG1 3.18Å; N471-V512 WeakPolarHBondContact ND2-CG2 3.48Å; N471-I515 HydrophobicContact CB-CD1 3.7Å
472	S	92.5	Very high	92.3	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.021	22%	0.224	C	C	.	.			trans	-122.7	146.7	-169.9	-179	0	0	0	0	111.1	D474 M496 S497	S472-D474 VanDerWaalsContact C-N 3.32Å; S472-D474 WeakPolarHBondContact OG-CB 3.4Å; S472-D474 PolarHBondContact OG-N 3.1Å; S472-D474 VanDerWaalsContact OG-N 3.09Å; S472-M496 PolarHBondContact N-O 3.29Å; S472-S497 CarbonylContact O-C 3.56Å
473	S	87.2	Confident	92.2	Very high	77 Å²	77	39.1 Å²	39.1	54%	0.538	21%	0.212	S	C	.	.	S	Bend	trans	-90.6	1.6	169.9	-53.9	0	0	0	0	112.7	A498	S473-A498 WeakPolarHBondContact O-CB 3.42Å
474	D	86.4	Confident	92	Very high	27 Å²	27	37.6 Å²	37.6	14%	0.144	21%	0.208	C	C	.	.	S	Bend	trans	-79	162.9	172.5	-109	-4.1	0	0	0	111.2	K354 R364 S472 A478 S497 A498	K354-D474 VanDerWaalsContact CE-OD2 3.26Å; K354-D474 WeakPolarHBondContact CE-OD2 3.31Å; K354-D474 IonicContact NZ-OD2 2.97Å; K354-D474 PolarHBondContact NZ-OD2 2.92Å; R364-D474 IonicContact CZ-OD2 2.68Å; R364-D474 IonicContact NH1-OD1 2.77Å; R364-D474 IonicContact NH1-OD2 3.52Å; R364-D474 PolarHBondContact NH1-OD2 3.34Å; R364-D474 IonicContact NH2-OD2 3.36Å; S472-D474 VanDerWaalsContact C-N 3.32Å; S472-D474 WeakPolarHBondContact OG-CB 3.4Å; S472-D474 PolarHBondContact OG-N 3.1Å; S472-D474 VanDerWaalsContact OG-N 3.09Å; D474-A478 HydrophobicContact CB-CB 4.11Å; D474-S497 WeakPolarHBondContact O-CB 3.4Å; D474-A498 PolarHBondContact O-N 3.24Å
475	S	85.3	Confident	91.9	Very high	45 Å²	45	37.2 Å²	37.2	32%	0.315	21%	0.211	S	C	.	.			trans	-64.7	158.2	177.6	67.4	0	0	0	0	112.6	K477 A478 C479 E499	S475-K477 VanDerWaalsContact C-N 3.26Å; S475-K477 PolarHBondContact O-N 2.9Å; S475-A478 PolarHBondContact O-N 3.21Å; S475-A478 VanDerWaalsContact O-N 3.09Å; S475-A478 WeakPolarHBondContact OG-CB 3.42Å; S475-A478 PolarHBondContact OG-N 3.24Å; S475-C479 PolarHBondContact O-N 3.39Å; S475-C479 PolarHBondContact O-SG 3.46Å; S475-E499 WeakPolarHBondContact CA-OE1 3.36Å; S475-E499 WeakPolarHBondContact CA-OE2 3.49Å; S475-E499 VanDerWaalsContact CB-OE1 3.26Å; S475-E499 WeakPolarHBondContact CB-OE1 3.24Å
476	R	90.8	Very high	91.8	Very high	66 Å²	66	35.5 Å²	35.5	25%	0.249	19%	0.188	C	C	.	.	H	α-helix	trans	-50.2	-50.5	174.1	173.6	49.5	49.2	-151.2	2.4	110.8	A478 C479 D480 T495 S497 E499 D500	R476-A478 PolarHBondContact O-N 3.38Å; R476-C479 PolarHBondContact O-N 3.48Å; R476-D480 WeakPolarHBondContact CD-OD1 3.37Å; R476-D480 WeakPolarHBondContact CD-OD2 3.45Å; R476-D480 IonicContact NH1-OD1 3.92Å; R476-D480 PolarHBondContact NH1-OD1 2.92Å; R476-D480 PolarHBondContact O-N 3.34Å; R476-T495 VanDerWaalsContact NH1-CG2 3.3Å; R476-T495 PolarHBondContact NH2-O 3.39Å; R476-S497 PolarHBondContact N-OG 3.14Å; R476-S497 PolarHBondContact NH2-OG 3.1Å; R476-E499 PolarHBondContact N-OE1 3.03Å; R476-E499 PolarHBondContact N-OE2 3.41Å; R476-D500 IonicContact CZ-OD2 3.9Å; R476-D500 IonicContact NH2-OD2 3.62Å; R476-D500 PolarHBondContact NH2-OD2 2.92Å
477	K	89.4	Confident	91.6	Very high	122 Å²	122	43.2 Å²	43.2	53%	0.53	22%	0.221	S	C	.	.	H	α-helix	trans	-58.1	-45.2	178.4	177	164	174.2	41.7	0	112.4	S475 C479 D480 D481	S475-K477 VanDerWaalsContact C-N 3.26Å; S475-K477 PolarHBondContact O-N 2.9Å; K477-C479 VanDerWaalsContact C-N 3.34Å; K477-C479 PolarHBondContact O-N 2.75Å; K477-D480 PolarHBondContact O-N 3.41Å; K477-D481 IonicContact NZ-OD1 2.64Å; K477-D481 PolarHBondContact NZ-OD1 3.27Å; K477-D481 IonicContact NZ-OD2 2.67Å; K477-D481 PolarHBondContact NZ-OD2 2.99Å; K477-D481 WeakPolarHBondContact O-CB 3.29Å; K477-D481 PolarHBondContact O-N 3.24Å
478	A	86.4	Confident	91.3	Very high	6 Å²	6	39.1 Å²	39.1	5%	0.05	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-35.8	179.6	0	0	0	0	0	112.4	D474 S475 R476 F482	D474-A478 HydrophobicContact CB-CB 4.11Å; S475-A478 PolarHBondContact O-N 3.21Å; S475-A478 VanDerWaalsContact O-N 3.09Å; S475-A478 WeakPolarHBondContact OG-CB 3.42Å; S475-A478 PolarHBondContact OG-N 3.24Å; R476-A478 PolarHBondContact O-N 3.38Å; A478-F482 WeakPolarHBondContact O-CB 3.46Å; A478-F482 PolarHBondContact O-N 3.26Å; A478-F482 VanDerWaalsContact O-N 3.12Å
479	C	90.6	Very high	91	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-65.9	-43.9	174.3	-62.9	0	0	0	0	111.6	S475 R476 K477 F482 L483 T495	S475-C479 PolarHBondContact O-N 3.39Å; S475-C479 PolarHBondContact O-SG 3.46Å; R476-C479 PolarHBondContact O-N 3.48Å; K477-C479 VanDerWaalsContact C-N 3.34Å; K477-C479 PolarHBondContact O-N 2.75Å; C479-F482 PolarHBondContact O-N 2.8Å; C479-L483 WeakPolarHBondContact O-CG 3.31Å; C479-L483 PolarHBondContact O-N 3.46Å; C479-T495 HydrophobicContact CB-CG2 3.9Å
480	D	91.7	Very high	90.7	Very high	53 Å²	53	50 Å²	50	28%	0.283	26%	0.258	S	S	.	.	H	α-helix	trans	-69.3	-47.4	-179.5	-61.1	-14.8	0	0	0	110.9	R476 K477 F482 L483 L484 Y489	R476-D480 WeakPolarHBondContact CD-OD1 3.37Å; R476-D480 WeakPolarHBondContact CD-OD2 3.45Å; R476-D480 IonicContact NH1-OD1 3.92Å; R476-D480 PolarHBondContact NH1-OD1 2.92Å; R476-D480 PolarHBondContact O-N 3.34Å; K477-D480 PolarHBondContact O-N 3.41Å; D480-F482 PolarHBondContact O-N 3.37Å; D480-L483 PolarHBondContact O-N 2.99Å; D480-L483 VanDerWaalsContact O-N 3.11Å; D480-L484 PolarHBondContact O-N 3.48Å; D480-Y489 VanDerWaalsContact C-OH 3.28Å; D480-Y489 VanDerWaalsContact CA-OH 3.32Å; D480-Y489 WeakPolarHBondContact CA-OH 3.27Å; D480-Y489 PolarHBondContact O-OH 3.12Å
481	D	90	Very high	90.7	Very high	37 Å²	37	53.8 Å²	53.8	20%	0.198	27%	0.273	C	S	.	.	H	α-helix	trans	-54.6	-41.6	175.2	-70.8	-12.9	0	0	0	111.3	S445 K477 S485	S445-D481 PolarHBondContact OG-OD2 2.69Å; S445-D481 VanDerWaalsContact OG-OD2 3.07Å; K477-D481 IonicContact NZ-OD1 2.64Å; K477-D481 PolarHBondContact NZ-OD1 3.27Å; K477-D481 IonicContact NZ-OD2 2.67Å; K477-D481 PolarHBondContact NZ-OD2 2.99Å; K477-D481 WeakPolarHBondContact O-CB 3.29Å; K477-D481 PolarHBondContact O-N 3.24Å; D481-S485 PolarHBondContact O-N 3.01Å; D481-S485 VanDerWaalsContact O-N 3.14Å
482	F	90.3	Very high	90.7	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-54.4	174.3	166.8	-106.1	0	0	0	111.7	K354 F358 I359 I470 A478 C479 D480 L484 S485 V486	K354-F482 HydrophobicContact CD-CB 4.01Å; K354-F482 HydrophobicContact CD-CD1 3.69Å; K354-F482 HydrophobicContact CD-CE1 4.35Å; K354-F482 HydrophobicContact CD-CG 3.84Å; K354-F482 HydrophobicContact CG-CD1 3.91Å; K354-F482 HydrophobicContact CG-CE1 4.06Å; K354-F482 HydrophobicContact CG-CG 4.29Å; F358-F482 HydrophobicContact CB-CE1 4.39Å; F358-F482 HydrophobicContact CB-CE2 4.02Å; F358-F482 HydrophobicContact CB-CZ 3.49Å; F358-F482 VanDerWaalsContact CB-CZ 3.49Å; F358-F482 HydrophobicContact CD1-CZ 4.15Å; F358-F482 HydrophobicContact CD2-CZ 4.34Å; F358-F482 HydrophobicContact CG-CE1 4.33Å; F358-F482 AromaticContact CG-CZ 3.75Å; F358-F482 HydrophobicContact CG-CZ 3.75Å; I359-F482 HydrophobicContact CD1-CD2 3.65Å; I359-F482 HydrophobicContact CD1-CE2 3.98Å; I359-F482 HydrophobicContact CD1-CG 4.27Å; I359-F482 HydrophobicContact CG1-CD2 3.96Å; I359-F482 HydrophobicContact CG1-CE2 3.76Å; I470-F482 HydrophobicContact CD1-CE1 4.31Å; A478-F482 WeakPolarHBondContact O-CB 3.46Å; A478-F482 PolarHBondContact O-N 3.26Å; A478-F482 VanDerWaalsContact O-N 3.12Å; C479-F482 PolarHBondContact O-N 2.8Å; D480-F482 PolarHBondContact O-N 3.37Å; F482-L484 PolarHBondContact O-N 2.87Å; F482-S485 PolarHBondContact O-N 3.11Å; F482-S485 PolarHBondContact O-OG 3.13Å; F482-V486 HydrophobicContact CD2-CG1 4.23Å; F482-V486 HydrophobicContact CD2-CG2 4.49Å; F482-V486 HydrophobicContact CE1-CG2 4.19Å; F482-V486 HydrophobicContact CE2-CG1 3.78Å; F482-V486 HydrophobicContact CE2-CG2 4.03Å; F482-V486 HydrophobicContact CZ-CG1 4.35Å; F482-V486 HydrophobicContact CZ-CG2 3.86Å; F482-V486 WeakPolarHBondContact O-CG2 3.31Å; F482-V486 PolarHBondContact O-N 2.88Å; F482-V486 VanDerWaalsContact O-N 3.17Å
483	L	93.2	Very high	90.9	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-35.2	-178.4	-72.2	174.2	0	0	0	112.7	I470 C479 D480 K487 L488 Y489 I492	I470-L483 HydrophobicContact CD1-CD2 3.71Å; I470-L483 HydrophobicContact CD1-CG 4.42Å; C479-L483 WeakPolarHBondContact O-CG 3.31Å; C479-L483 PolarHBondContact O-N 3.46Å; D480-L483 PolarHBondContact O-N 2.99Å; D480-L483 VanDerWaalsContact O-N 3.11Å; L483-K487 WeakPolarHBondContact O-CA 3.3Å; L483-K487 PolarHBondContact O-N 3.25Å; L483-L488 HydrophobicContact CD2-CB 3.84Å; L483-L488 PolarHBondContact O-N 2.93Å; L483-L488 VanDerWaalsContact O-N 3.17Å; L483-Y489 HydrophobicContact CB-CD1 3.91Å; L483-Y489 HydrophobicContact CB-CD2 3.97Å; L483-Y489 HydrophobicContact CB-CE1 3.54Å; L483-Y489 HydrophobicContact CB-CE2 3.63Å; L483-Y489 HydrophobicContact CB-CG 4.12Å; L483-Y489 VanDerWaalsContact CB-CZ 3.41Å; L483-Y489 HydrophobicContact CD1-CD1 4.05Å; L483-Y489 HydrophobicContact CD1-CE1 3.8Å; L483-Y489 HydrophobicContact CG-CE1 4.32Å; L483-I492 HydrophobicContact CD2-CG1 3.92Å
484	L	90.7	Very high	91.3	Very high	113 Å²	113	54 Å²	54	59%	0.592	27%	0.269	S	S	*	.	H	α-helix	trans	-62.1	-48.7	173	-80.4	169.3	0	0	0	111.1	D480 F482 V486 K487 Y489	D480-L484 PolarHBondContact O-N 3.48Å; F482-L484 PolarHBondContact O-N 2.87Å; L484-V486 VanDerWaalsContact C-N 3.34Å; L484-V486 PolarHBondContact O-N 3.47Å; L484-K487 PolarHBondContact O-N 3.34Å; L484-Y489 HydrophobicContact CB-CE2 3.93Å; L484-Y489 HydrophobicContact CD2-CD2 4.34Å; L484-Y489 HydrophobicContact CD2-CE2 3.49Å; L484-Y489 VanDerWaalsContact CD2-CE2 3.49Å; L484-Y489 HydrophobicContact CG-CE2 3.45Å; L484-Y489 VanDerWaalsContact CG-CE2 3.45Å; L484-Y489 WeakPolarHBondContact CG-OH 3.48Å
485	S	89.7	Confident	91.7	Very high	59 Å²	59	53.9 Å²	53.9	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-65.5	-36.5	-173.3	72.1	0	0	0	0	113.7	P447 D481 F482	P447-S485 WeakPolarHBondContact CB-OG 3.36Å; P447-S485 WeakPolarHBondContact CG-OG 3.3Å; D481-S485 PolarHBondContact O-N 3.01Å; D481-S485 VanDerWaalsContact O-N 3.14Å; F482-S485 PolarHBondContact O-N 3.11Å; F482-S485 PolarHBondContact O-OG 3.13Å
486	V	90.6	Very high	92.2	Very high	26 Å²	26	51.7 Å²	51.7	16%	0.158	25%	0.254	C	S	.	.	H	α-helix	trans	-98.6	-0.1	-178.9	-55.6	0	0	0	0	113.3	T450 I455 F482 L484 L488	T450-V486 HydrophobicContact CG2-CG1 3.67Å; I455-V486 HydrophobicContact CD1-CB 3.73Å; I455-V486 HydrophobicContact CD1-CG1 4Å; I455-V486 HydrophobicContact CD1-CG2 3.87Å; I455-V486 HydrophobicContact CG1-CB 4.34Å; F482-V486 HydrophobicContact CD2-CG1 4.23Å; F482-V486 HydrophobicContact CD2-CG2 4.49Å; F482-V486 HydrophobicContact CE1-CG2 4.19Å; F482-V486 HydrophobicContact CE2-CG1 3.78Å; F482-V486 HydrophobicContact CE2-CG2 4.03Å; F482-V486 HydrophobicContact CZ-CG1 4.35Å; F482-V486 HydrophobicContact CZ-CG2 3.86Å; F482-V486 WeakPolarHBondContact O-CG2 3.31Å; F482-V486 PolarHBondContact O-N 2.88Å; F482-V486 VanDerWaalsContact O-N 3.17Å; L484-V486 VanDerWaalsContact C-N 3.34Å; L484-V486 PolarHBondContact O-N 3.47Å; V486-L488 HydrophobicContact CG2-CB 3.89Å; V486-L488 HydrophobicContact CG2-CD1 3.8Å; V486-L488 HydrophobicContact CG2-CG 3.75Å; V486-L488 PolarHBondContact O-N 3.31Å
487	K	91.4	Very high	92.2	Very high	174 Å²	174	48.6 Å²	48.6	76%	0.757	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	44.5	179.4	-55.5	179	-179.9	177.9	0	113.4	L483 L484	L483-K487 WeakPolarHBondContact O-CA 3.3Å; L483-K487 PolarHBondContact O-N 3.25Å; L484-K487 PolarHBondContact O-N 3.34Å
488	L	92.2	Very high	92.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.			trans	-97.6	-2.2	-179.3	-85.1	-177.4	0	0	0	114.9	F358 I455 V458 L483 V486 D490 Y491 I492	F358-L488 HydrophobicContact CD1-CD1 4.36Å; F358-L488 HydrophobicContact CE1-CD1 3.97Å; I455-L488 HydrophobicContact CD1-CD1 3.57Å; I455-L488 HydrophobicContact CD1-CG 4.24Å; I455-L488 HydrophobicContact CG2-CD1 4.35Å; I455-L488 HydrophobicContact CG2-CD2 3.89Å; I455-L488 HydrophobicContact CG2-CG 4.04Å; V458-L488 HydrophobicContact CB-CD2 4.22Å; V458-L488 HydrophobicContact CG1-CD2 3.89Å; L483-L488 HydrophobicContact CD2-CB 3.84Å; L483-L488 PolarHBondContact O-N 2.93Å; L483-L488 VanDerWaalsContact O-N 3.17Å; V486-L488 HydrophobicContact CG2-CB 3.89Å; V486-L488 HydrophobicContact CG2-CD1 3.8Å; V486-L488 HydrophobicContact CG2-CG 3.75Å; V486-L488 PolarHBondContact O-N 3.31Å; L488-D490 VanDerWaalsContact C-N 3.3Å; L488-D490 PolarHBondContact O-N 3.22Å; L488-Y491 HydrophobicContact CD2-CD2 4.13Å; L488-Y491 HydrophobicContact CD2-CG 4.24Å; L488-Y491 PolarHBondContact O-N 3.14Å; L488-I492 HydrophobicContact CB-CG1 4.28Å; L488-I492 WeakPolarHBondContact O-CG1 3.39Å; L488-I492 PolarHBondContact O-N 2.73Å
489	Y	91	Very high	92.1	Very high	85 Å²	85	49.7 Å²	49.7	33%	0.333	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-50.3	-46.6	-175.8	-78.3	-73.4	0	0	0	114.7	D480 L483 L484 Y491 I492	D480-Y489 VanDerWaalsContact C-OH 3.28Å; D480-Y489 VanDerWaalsContact CA-OH 3.32Å; D480-Y489 WeakPolarHBondContact CA-OH 3.27Å; D480-Y489 PolarHBondContact O-OH 3.12Å; L483-Y489 HydrophobicContact CB-CD1 3.91Å; L483-Y489 HydrophobicContact CB-CD2 3.97Å; L483-Y489 HydrophobicContact CB-CE1 3.54Å; L483-Y489 HydrophobicContact CB-CE2 3.63Å; L483-Y489 HydrophobicContact CB-CG 4.12Å; L483-Y489 VanDerWaalsContact CB-CZ 3.41Å; L483-Y489 HydrophobicContact CD1-CD1 4.05Å; L483-Y489 HydrophobicContact CD1-CE1 3.8Å; L483-Y489 HydrophobicContact CG-CE1 4.32Å; L484-Y489 HydrophobicContact CB-CE2 3.93Å; L484-Y489 HydrophobicContact CD2-CD2 4.34Å; L484-Y489 HydrophobicContact CD2-CE2 3.49Å; L484-Y489 VanDerWaalsContact CD2-CE2 3.49Å; L484-Y489 HydrophobicContact CG-CE2 3.45Å; L484-Y489 VanDerWaalsContact CG-CE2 3.45Å; L484-Y489 WeakPolarHBondContact CG-OH 3.48Å; Y489-Y491 PolarHBondContact O-N 2.86Å; Y489-Y491 VanDerWaalsContact O-N 3.16Å; Y489-I492 PolarHBondContact O-N 2.86Å
490	D	93	Very high	92.1	Very high	146 Å²	146	52.7 Å²	52.7	78%	0.781	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-71.7	-10.1	-176.4	-56.9	-39.3	0	0	0	113	L488	L488-D490 VanDerWaalsContact C-N 3.3Å; L488-D490 PolarHBondContact O-N 3.22Å
491	Y	96.1	Very high	91.7	Very high	80 Å²	80	50.8 Å²	50.8	31%	0.314	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-103.5	-10.2	179.9	-60.3	-94.1	0	0	0	112.9	K459 R462 L488 Y489	K459-Y491 HydrophobicContact CB-CD1 4.27Å; K459-Y491 HydrophobicContact CB-CE1 3.97Å; K459-Y491 HydrophobicContact CD-CE1 4.19Å; K459-Y491 HydrophobicContact CG-CD1 3.95Å; K459-Y491 HydrophobicContact CG-CE1 3.65Å; R462-Y491 HydrophobicContact CB-CD1 4.13Å; R462-Y491 WeakPolarHBondContact CD-O 3.03Å; R462-Y491 HydrophobicContact CG-CD1 3.91Å; L488-Y491 HydrophobicContact CD2-CD2 4.13Å; L488-Y491 HydrophobicContact CD2-CG 4.24Å; L488-Y491 PolarHBondContact O-N 3.14Å; Y489-Y491 PolarHBondContact O-N 2.86Å; Y489-Y491 VanDerWaalsContact O-N 3.16Å
492	I	97	Very high	91.2	Very high	17 Å²	17	51.6 Å²	51.6	9%	0.087	28%	0.28	C	S	.	.			trans	-111.9	112.1	-176.8	-57.1	-58.7	0	0	0	110	V458 V468 I470 L483 L488 Y489 T494	V458-I492 HydrophobicContact CG1-CD1 4.07Å; V468-I492 HydrophobicContact CB-CD1 4.21Å; V468-I492 HydrophobicContact CG1-CD1 3.66Å; I470-I492 HydrophobicContact CB-CG2 4.47Å; I470-I492 HydrophobicContact CD1-CD1 4.26Å; I470-I492 HydrophobicContact CD1-CG1 4.2Å; I470-I492 HydrophobicContact CD1-CG2 4.34Å; I470-I492 HydrophobicContact CG1-CD1 4.15Å; I470-I492 HydrophobicContact CG1-CG1 4.45Å; I470-I492 HydrophobicContact CG1-CG2 4.06Å; L483-I492 HydrophobicContact CD2-CG1 3.92Å; L488-I492 HydrophobicContact CB-CG1 4.28Å; L488-I492 WeakPolarHBondContact O-CG1 3.39Å; L488-I492 PolarHBondContact O-N 2.73Å; Y489-I492 PolarHBondContact O-N 2.86Å; I492-T494 WeakPolarHBondContact CG2-O 3.39Å; I492-T494 PolarHBondContact O-N 2.89Å
493	D	95.6	Very high	90.3	Very high	48 Å²	48	56.9 Å²	56.9	26%	0.257	32%	0.316	S	S	.	.	S	Bend	trans	-73.9	-28	-176	-67.7	-25.3	0	0	0	112.8	R462 R467 V468	R462-D493 IonicContact CZ-OD1 3.54Å; R462-D493 VanDerWaalsContact CZ-OD1 3.31Å; R462-D493 IonicContact CZ-OD2 3.2Å; R462-D493 IonicContact NH1-OD1 2.89Å; R462-D493 PolarHBondContact NH1-OD1 3.37Å; R462-D493 VanDerWaalsContact NH1-OD1 3.14Å; R462-D493 IonicContact NH1-OD2 3.94Å; R462-D493 PolarHBondContact NH1-OD2 2.88Å; R462-D493 IonicContact NH2-OD1 2.74Å; R462-D493 PolarHBondContact NH2-OD1 3.4Å; R467-D493 WeakPolarHBondContact CB-OD2 3.45Å; R467-D493 VanDerWaalsContact CG-OD2 3.3Å; R467-D493 WeakPolarHBondContact CG-OD2 3.43Å; R467-D493 IonicContact CZ-OD2 2.86Å; R467-D493 IonicContact NE-OD2 2.87Å; R467-D493 PolarHBondContact NE-OD2 3.41Å; R467-D493 IonicContact NH2-OD2 2.85Å; R467-D493 PolarHBondContact NH2-OD2 3.42Å; V468-D493 PolarHBondContact O-N 2.78Å
494	T	95.1	Very high	89.6	Confident	25 Å²	25	61 Å²	61	15%	0.153	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	141.4	-179	-68.5	0	0	0	0	110.5	A469 I470 I492 M496 I515 K518	A469-T494 CarbonylContact C-O 3.55Å; A469-T494 WeakPolarHBondContact CA-O 3.49Å; A469-T494 WeakPolarHBondContact CB-O 3.27Å; I470-T494 PolarHBondContact N-O 3.12Å; I492-T494 WeakPolarHBondContact CG2-O 3.39Å; I492-T494 PolarHBondContact O-N 2.89Å; T494-M496 HydrophobicContact CG2-CE 3.96Å; T494-I515 HydrophobicContact CG2-CG1 4.14Å; T494-K518 HydrophobicContact CG2-CD 3.92Å
495	T	96	Very high	89	Confident	23 Å²	23	58.7 Å²	58.7	14%	0.141	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.2	173.9	-58.6	0	0	0	0	109.4	I470 R476 C479	I470-T495 HydrophobicContact CB-CG2 4.07Å; I470-T495 HydrophobicContact CG2-CG2 4.06Å; I470-T495 CarbonylContact O-C 3.37Å; I470-T495 WeakPolarHBondContact O-CA 3.48Å; R476-T495 VanDerWaalsContact NH1-CG2 3.3Å; R476-T495 PolarHBondContact NH2-O 3.39Å; C479-T495 HydrophobicContact CB-CG2 3.9Å
496	M	95.2	Very high	88.6	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.1	167.9	-62.7	-62.4	-179.5	0	0	110	I470 S472 T494 D500 T511 Q514 I515 K518	I470-M496 PolarHBondContact O-N 2.89Å; S472-M496 PolarHBondContact N-O 3.29Å; T494-M496 HydrophobicContact CG2-CE 3.96Å; M496-D500 HydrophobicContact CB-CB 4.4Å; M496-D500 HydrophobicContact SD-CB 3.82Å; M496-T511 HydrophobicContact CB-CG2 4.39Å; M496-Q514 HydrophobicContact CE-CB 3.56Å; M496-I515 HydrophobicContact CB-CD1 4.22Å; M496-I515 HydrophobicContact CE-CG1 3.78Å; M496-I515 HydrophobicContact CG-CD1 3.6Å; M496-I515 HydrophobicContact CG-CG1 3.42Å; M496-I515 VanDerWaalsContact CG-CG1 3.42Å; M496-K518 HydrophobicContact CE-CD 3.69Å
497	S	92	Very high	87.9	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.007	32%	0.316	C	S	.	.			trans	-108.2	179.3	175.6	70	0	0	0	0	111.7	S472 D474 R476 E499 D500 A501	S472-S497 CarbonylContact O-C 3.56Å; D474-S497 WeakPolarHBondContact O-CB 3.4Å; R476-S497 PolarHBondContact N-OG 3.14Å; R476-S497 PolarHBondContact NH2-OG 3.1Å; S497-E499 WeakPolarHBondContact CB-OE2 3.39Å; S497-E499 PolarHBondContact O-N 3.13Å; S497-E499 PolarHBondContact OG-OE2 3.03Å; S497-D500 PolarHBondContact N-OD2 3.41Å; S497-D500 PolarHBondContact O-N 3Å; S497-D500 VanDerWaalsContact O-N 3.17Å; S497-D500 PolarHBondContact OG-OD2 2.8Å; S497-A501 PolarHBondContact O-N 3.16Å
498	A	85.5	Confident	87.2	Confident	42 Å²	42	52.8 Å²	52.8	35%	0.347	30%	0.299	S	S	.	.	H	α-helix	trans	-53.1	-40	174.1	0	0	0	0	0	113	S473 D474 A501 G502	S473-A498 WeakPolarHBondContact O-CB 3.42Å; D474-A498 PolarHBondContact O-N 3.24Å; A498-A501 WeakPolarHBondContact O-CB 3.35Å; A498-A501 PolarHBondContact O-N 2.8Å; A498-G502 PolarHBondContact O-N 3.03Å
499	E	87.7	Confident	86.9	Confident	109 Å²	109	54 Å²	54	51%	0.509	31%	0.306	S	S	.	.	H	α-helix	trans	-67.8	-36.7	-179.9	-60	85	169.4	0	0	112.3	S475 R476 S497 A501 G502	S475-E499 WeakPolarHBondContact CA-OE1 3.36Å; S475-E499 WeakPolarHBondContact CA-OE2 3.49Å; S475-E499 VanDerWaalsContact CB-OE1 3.26Å; S475-E499 WeakPolarHBondContact CB-OE1 3.24Å; R476-E499 PolarHBondContact N-OE1 3.03Å; R476-E499 PolarHBondContact N-OE2 3.41Å; S497-E499 WeakPolarHBondContact CB-OE2 3.39Å; S497-E499 PolarHBondContact O-N 3.13Å; S497-E499 PolarHBondContact OG-OE2 3.03Å; E499-A501 VanDerWaalsContact C-N 3.3Å; E499-A501 PolarHBondContact O-N 3.4Å; E499-G502 PolarHBondContact O-N 3.37Å
500	D	89.8	Confident	86.8	Confident	63 Å²	63	53.6 Å²	53.6	34%	0.337	31%	0.307	S	S	.	.	H	α-helix	trans	-69.3	-30.5	175.9	-60.3	-64.8	0	0	0	112.2	R476 M496 S497 G502	R476-D500 IonicContact CZ-OD2 3.9Å; R476-D500 IonicContact NH2-OD2 3.62Å; R476-D500 PolarHBondContact NH2-OD2 2.92Å; M496-D500 HydrophobicContact CB-CB 4.4Å; M496-D500 HydrophobicContact SD-CB 3.82Å; S497-D500 PolarHBondContact N-OD2 3.41Å; S497-D500 PolarHBondContact O-N 3Å; S497-D500 VanDerWaalsContact O-N 3.17Å; S497-D500 PolarHBondContact OG-OD2 2.8Å; D500-G502 VanDerWaalsContact C-N 3.3Å
501	A	83.2	Confident	86.7	Confident	13 Å²	13	46.7 Å²	46.7	11%	0.107	27%	0.271	C	S	.	.	H	α-helix	trans	-69.1	-31.1	176.7	0	0	0	0	0	112.3	S497 A498 E499 C503 H504 P505 T511	S497-A501 PolarHBondContact O-N 3.16Å; A498-A501 WeakPolarHBondContact O-CB 3.35Å; A498-A501 PolarHBondContact O-N 2.8Å; E499-A501 VanDerWaalsContact C-N 3.3Å; E499-A501 PolarHBondContact O-N 3.4Å; A501-C503 PolarHBondContact O-N 3.2Å; A501-H504 CarbonylContact O-C 3.46Å; A501-H504 WeakPolarHBondContact O-CA 3.33Å; A501-H504 PolarHBondContact O-N 3.5Å; A501-P505 HydrophobicContact CB-CB 4.41Å; A501-T511 HydrophobicContact CB-CG2 3.62Å
502	G	79.6	Confident	86.5	Confident	54 Å²	54	42.9 Å²	42.9	56%	0.557	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	-125.6	-176.5	0	0	0	0	0	111.9	A498 E499 D500 H504	A498-G502 PolarHBondContact O-N 3.03Å; E499-G502 PolarHBondContact O-N 3.37Å; D500-G502 VanDerWaalsContact C-N 3.3Å; G502-H504 PolarHBondContact O-N 3.34Å
503	C	70.9	Confident	86.2	Confident	114 Å²	114	46.4 Å²	46.4	77%	0.77	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	2.7	177.7	-56.5	0	0	0	0	114.4	A501 P505	A501-C503 PolarHBondContact O-N 3.2Å; C503-P505 WeakPolarHBondContact O-CD 3.49Å
504	H	79.2	Confident	86	Confident	88 Å²	88	47.8 Å²	47.8	41%	0.407	28%	0.279	S	S	.	.			trans	-124.9	52.8	-172.3	-50.7	102	0	0	0	114.3	A501 G502 L508 H510	A501-H504 CarbonylContact O-C 3.46Å; A501-H504 WeakPolarHBondContact O-CA 3.33Å; A501-H504 PolarHBondContact O-N 3.5Å; G502-H504 PolarHBondContact O-N 3.34Å; H504-L508 HydrophobicContact CB-CD1 4.08Å; H504-H510 HydrophobicContact CB-CB 3.82Å; H504-H510 AromaticContact CD2-CE1 3.7Å; H504-H510 AromaticContact CD2-NE2 3.82Å; H504-H510 AromaticContact CG-CD2 3.98Å; H504-H510 AromaticContact CG-CE1 3.98Å; H504-H510 AromaticContact CG-CG 3.95Å; H504-H510 AromaticContact CG-ND1 3.95Å
505	P	77.2	Confident	86.1	Confident	65 Å²	65	46.6 Å²	46.6	42%	0.422	27%	0.271	S	S	.	.			trans	-67.6	168.5	178.5	32	-37.1	0	0	0	112.7	A501 C503 L508	A501-P505 HydrophobicContact CB-CB 4.41Å; C503-P505 WeakPolarHBondContact O-CD 3.49Å; P505-L508 VanDerWaalsContact O-CB 3.27Å; P505-L508 WeakPolarHBondContact O-CB 3.19Å; P505-L508 PolarHBondContact O-N 3.47Å
506	K	82.4	Confident	86.1	Confident	23 Å²	23	46 Å²	46	10%	0.1	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	140.1	167.3	-59.4	178.5	-173	-179.2	0	109.3	D353 N471 A534 D535	D353-K506 IonicContact OD1-NZ 3.47Å; D353-K506 PolarHBondContact OD1-NZ 3.38Å; N471-K506 VanDerWaalsContact CG-CE 3.42Å; N471-K506 WeakPolarHBondContact ND2-CE 3.33Å; N471-K506 WeakPolarHBondContact O-CE 3.21Å; N471-K506 PolarHBondContact O-NZ 2.82Å; K506-A534 HydrophobicContact CB-CB 4.05Å; K506-D535 VanDerWaalsContact CD-OD1 3.25Å; K506-D535 WeakPolarHBondContact CD-OD1 3.44Å; K506-D535 WeakPolarHBondContact CE-OD1 3.4Å; K506-D535 IonicContact NZ-OD1 3.86Å; K506-D535 PolarHBondContact NZ-OD1 2.99Å
507	P	76.4	Confident	86	Confident	39 Å²	39	52.4 Å²	52.4	25%	0.253	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87	11.1	12.4	35.7	-38.3	0	0	0	115.3	L2 A534 I537 S538	L2-P507 HydrophobicContact CD1-CG 4.4Å; P507-A534 HydrophobicContact CB-CB 4.31Å; P507-I537 HydrophobicContact CB-CB 3.86Å; P507-I537 HydrophobicContact CB-CG2 3.71Å; P507-S538 VanDerWaalsContact O-CA 3.24Å; P507-S538 WeakPolarHBondContact O-CA 3.34Å; P507-S538 PolarHBondContact O-N 3.23Å
508	L	75.6	Confident	86.1	Confident	74 Å²	74	58.2 Å²	58.2	39%	0.387	33%	0.327	S	S	.	.	S	Bend	trans	-67.9	149.1	177.9	-63.1	169.3	0	0	0	110.8	H504 P505 H510	H504-L508 HydrophobicContact CB-CD1 4.08Å; P505-L508 VanDerWaalsContact O-CB 3.27Å; P505-L508 WeakPolarHBondContact O-CB 3.19Å; P505-L508 PolarHBondContact O-N 3.47Å; L508-H510 VanDerWaalsContact C-N 3.26Å; L508-H510 PolarHBondContact O-N 2.9Å
509	P	86.2	Confident	86.5	Confident	25 Å²	25	56.6 Å²	56.6	16%	0.162	31%	0.313	C	S	.	.	S	Bend	trans	-79.4	-0.9	-173.4	31.9	-36.6	0	0	0	114.7	T511 V512 I513 A542	P509-T511 PolarHBondContact O-N 3.32Å; P509-V512 WeakPolarHBondContact O-CB 3.28Å; P509-V512 PolarHBondContact O-N 2.9Å; P509-I513 HydrophobicContact CB-CD1 3.96Å; P509-I513 HydrophobicContact CB-CG1 4.42Å; P509-I513 HydrophobicContact CG-CD1 4.17Å; P509-I513 WeakPolarHBondContact O-CG1 3.21Å; P509-I513 PolarHBondContact O-N 3.48Å; P509-A542 HydrophobicContact CB-CB 3.84Å
510	H	88.6	Confident	86.8	Confident	76 Å²	76	54.8 Å²	54.8	35%	0.352	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-51.3	-165.4	-68.5	79.9	0	0	0	113.2	H504 L508 V512 I513 Q514	H504-H510 HydrophobicContact CB-CB 3.82Å; H504-H510 AromaticContact CD2-CE1 3.7Å; H504-H510 AromaticContact CD2-NE2 3.82Å; H504-H510 AromaticContact CG-CD2 3.98Å; H504-H510 AromaticContact CG-CE1 3.98Å; H504-H510 AromaticContact CG-CG 3.95Å; H504-H510 AromaticContact CG-ND1 3.95Å; L508-H510 VanDerWaalsContact C-N 3.26Å; L508-H510 PolarHBondContact O-N 2.9Å; H510-V512 VanDerWaalsContact C-N 3.3Å; H510-V512 PolarHBondContact O-N 3.06Å; H510-I513 PolarHBondContact O-N 3.46Å; H510-Q514 WeakPolarHBondContact O-CG 3.23Å; H510-Q514 PolarHBondContact O-N 2.93Å
511	T	91.4	Very high	87	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-34.4	179.6	56.2	0	0	0	0	112	N471 M496 A501 P509 Q514 I515	N471-T511 PolarHBondContact ND2-OG1 3.11Å; N471-T511 WeakPolarHBondContact OD1-CB 3.49Å; N471-T511 PolarHBondContact OD1-OG1 3.18Å; M496-T511 HydrophobicContact CB-CG2 4.39Å; A501-T511 HydrophobicContact CB-CG2 3.62Å; P509-T511 PolarHBondContact O-N 3.32Å; T511-Q514 PolarHBondContact O-N 3.12Å; T511-I515 VanDerWaalsContact O-CG1 3.23Å; T511-I515 WeakPolarHBondContact O-CG1 3.35Å; T511-I515 PolarHBondContact O-N 3.38Å
512	V	92	Very high	87.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-46.7	174	179.1	0	0	0	0	110.7	I351 N471 P509 H510 Q514 I515 I516 I528 S538 A542 V544	I351-V512 HydrophobicContact CD1-CG1 4Å; N471-V512 WeakPolarHBondContact ND2-CG2 3.48Å; P509-V512 WeakPolarHBondContact O-CB 3.28Å; P509-V512 PolarHBondContact O-N 2.9Å; H510-V512 VanDerWaalsContact C-N 3.3Å; H510-V512 PolarHBondContact O-N 3.06Å; V512-Q514 PolarHBondContact O-N 2.83Å; V512-I515 PolarHBondContact O-N 3.08Å; V512-I516 HydrophobicContact CG1-CD1 3.86Å; V512-I516 VanDerWaalsContact O-CG1 3.27Å; V512-I516 WeakPolarHBondContact O-CG1 3.38Å; V512-I516 PolarHBondContact O-N 3.39Å; V512-I528 HydrophobicContact CB-CD1 4.45Å; V512-I528 HydrophobicContact CG1-CD1 3.89Å; V512-I528 HydrophobicContact CG1-CG1 4.21Å; V512-I528 HydrophobicContact CG2-CD1 3.69Å; V512-S538 WeakPolarHBondContact CG2-OG 3.4Å; V512-A542 HydrophobicContact CB-CB 3.98Å; V512-A542 HydrophobicContact CG1-CB 3.53Å; V512-V544 HydrophobicContact CG1-CG1 3.97Å
513	I	90.1	Very high	88	Confident	90 Å²	90	58.6 Å²	58.6	46%	0.462	33%	0.327	S	S	.	.	H	α-helix	trans	-62.5	-43.5	178	-68.6	166.2	0	0	0	111	P509 H510 I515 I516 D517 A542	P509-I513 HydrophobicContact CB-CD1 3.96Å; P509-I513 HydrophobicContact CB-CG1 4.42Å; P509-I513 HydrophobicContact CG-CD1 4.17Å; P509-I513 WeakPolarHBondContact O-CG1 3.21Å; P509-I513 PolarHBondContact O-N 3.48Å; H510-I513 PolarHBondContact O-N 3.46Å; I513-I515 VanDerWaalsContact C-N 3.33Å; I513-I515 PolarHBondContact O-N 3.26Å; I513-I516 PolarHBondContact O-N 3.36Å; I513-D517 WeakPolarHBondContact O-CB 3.28Å; I513-D517 PolarHBondContact O-N 3.31Å; I513-A542 HydrophobicContact CG1-CB 4.15Å
514	Q	93	Very high	89	Confident	78 Å²	78	54.5 Å²	54.5	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-40.4	177	-71.3	173.2	-3.6	0	0	112.3	M496 H510 T511 V512 D517 K518	M496-Q514 HydrophobicContact CE-CB 3.56Å; H510-Q514 WeakPolarHBondContact O-CG 3.23Å; H510-Q514 PolarHBondContact O-N 2.93Å; T511-Q514 PolarHBondContact O-N 3.12Å; V512-Q514 PolarHBondContact O-N 2.83Å; Q514-D517 PolarHBondContact O-N 2.91Å; Q514-K518 WeakPolarHBondContact O-CB 3.41Å; Q514-K518 WeakPolarHBondContact O-CG 3.44Å; Q514-K518 PolarHBondContact O-N 3.01Å
515	I	97.2	Very high	89.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-45.1	176.2	-66.8	165.1	0	0	0	110.4	L349 I351 A469 N471 T494 M496 T511 V512 I513 D517 K518 A519	L349-I515 HydrophobicContact CD2-CG2 4.24Å; I351-I515 HydrophobicContact CD1-CB 3.92Å; I351-I515 HydrophobicContact CD1-CD1 4.38Å; I351-I515 HydrophobicContact CD1-CG2 3.63Å; I351-I515 HydrophobicContact CG1-CG2 3.82Å; I351-I515 HydrophobicContact CG2-CD1 3.8Å; A469-I515 HydrophobicContact CB-CG2 3.43Å; A469-I515 VanDerWaalsContact CB-CG2 3.43Å; N471-I515 HydrophobicContact CB-CD1 3.7Å; T494-I515 HydrophobicContact CG2-CG1 4.14Å; M496-I515 HydrophobicContact CB-CD1 4.22Å; M496-I515 HydrophobicContact CE-CG1 3.78Å; M496-I515 HydrophobicContact CG-CD1 3.6Å; M496-I515 HydrophobicContact CG-CG1 3.42Å; M496-I515 VanDerWaalsContact CG-CG1 3.42Å; T511-I515 VanDerWaalsContact O-CG1 3.23Å; T511-I515 WeakPolarHBondContact O-CG1 3.35Å; T511-I515 PolarHBondContact O-N 3.38Å; V512-I515 PolarHBondContact O-N 3.08Å; I513-I515 VanDerWaalsContact C-N 3.33Å; I513-I515 PolarHBondContact O-N 3.26Å; I515-D517 VanDerWaalsContact C-N 3.29Å; I515-D517 PolarHBondContact O-N 3.44Å; I515-K518 PolarHBondContact O-N 2.94Å; I515-A519 WeakPolarHBondContact O-CB 3.49Å; I515-A519 PolarHBondContact O-N 3.36Å
516	I	95	Very high	90.5	Very high	10 Å²	10	49 Å²	49	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-43.9	178.4	-70	166.1	0	0	0	110.9	L349 I351 V512 I513 A519 G520 C521 P523 T526 V544	L349-I516 HydrophobicContact CD2-CG1 4.16Å; I351-I516 HydrophobicContact CD1-CG1 4.21Å; V512-I516 HydrophobicContact CG1-CD1 3.86Å; V512-I516 VanDerWaalsContact O-CG1 3.27Å; V512-I516 WeakPolarHBondContact O-CG1 3.38Å; V512-I516 PolarHBondContact O-N 3.39Å; I513-I516 PolarHBondContact O-N 3.36Å; I516-A519 CarbonylContact O-C 3.42Å; I516-A519 PolarHBondContact O-N 3.44Å; I516-G520 PolarHBondContact O-N 3.05Å; I516-G520 VanDerWaalsContact O-N 3.1Å; I516-C521 WeakPolarHBondContact CG2-O 3.28Å; I516-C521 PolarHBondContact O-N 3Å; I516-P523 HydrophobicContact CD1-CB 4.4Å; I516-P523 HydrophobicContact CD1-CG 4.41Å; I516-P523 HydrophobicContact CG2-CG 4.45Å; I516-T526 HydrophobicContact CD1-CG2 4.24Å; I516-T526 HydrophobicContact CG1-CG2 4.06Å; I516-V544 HydrophobicContact CD1-CG1 4.26Å
517	D	92.6	Very high	91.2	Very high	134 Å²	134	48 Å²	48	72%	0.717	27%	0.268	S	S	*	.	H	α-helix	trans	-65.1	-50.5	178.2	-171.6	53.6	0	0	0	112	I513 Q514 I515 A519 G520	I513-D517 WeakPolarHBondContact O-CB 3.28Å; I513-D517 PolarHBondContact O-N 3.31Å; Q514-D517 PolarHBondContact O-N 2.91Å; I515-D517 VanDerWaalsContact C-N 3.29Å; I515-D517 PolarHBondContact O-N 3.44Å; D517-A519 PolarHBondContact O-N 3.39Å; D517-G520 PolarHBondContact O-N 3.2Å
518	K	95	Very high	92.2	Very high	124 Å²	124	46.3 Å²	46.3	54%	0.539	26%	0.257	S	S	.	.	H	α-helix	trans	-57.8	-33.6	174.2	-74.5	-179.2	-179.5	-178.2	0	112.5	T494 M496 Q514 I515 G520	T494-K518 HydrophobicContact CG2-CD 3.92Å; M496-K518 HydrophobicContact CE-CD 3.69Å; Q514-K518 WeakPolarHBondContact O-CB 3.41Å; Q514-K518 WeakPolarHBondContact O-CG 3.44Å; Q514-K518 PolarHBondContact O-N 3.01Å; I515-K518 PolarHBondContact O-N 2.94Å; K518-G520 VanDerWaalsContact C-N 3.32Å
519	A	93.5	Very high	93.2	Very high	7 Å²	7	42.8 Å²	42.8	6%	0.058	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.1	177.6	0	0	0	0	0	113.7	L349 R467 I515 I516 D517 C521	L349-A519 HydrophobicContact CD1-CB 4.14Å; L349-A519 HydrophobicContact CD2-CB 3.77Å; R467-A519 VanDerWaalsContact NH1-C 3.27Å; R467-A519 VanDerWaalsContact NH1-CA 3.31Å; R467-A519 PolarHBondContact NH1-O 3.5Å; I515-A519 WeakPolarHBondContact O-CB 3.49Å; I515-A519 PolarHBondContact O-N 3.36Å; I516-A519 CarbonylContact O-C 3.42Å; I516-A519 PolarHBondContact O-N 3.44Å; D517-A519 PolarHBondContact O-N 3.39Å; A519-C521 HydrophobicContact CB-CB 4.35Å; A519-C521 PolarHBondContact O-N 3.43Å; A519-C521 PolarHBondContact O-SG 2.99Å; A519-C521 VanDerWaalsContact O-SG 3.38Å
520	G	93.1	Very high	93.5	Very high	71 Å²	71	41.6 Å²	41.6	73%	0.732	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	27.6	-175.2	0	0	0	0	0	113.4	I516 D517 K518	I516-G520 PolarHBondContact O-N 3.05Å; I516-G520 VanDerWaalsContact O-N 3.1Å; D517-G520 PolarHBondContact O-N 3.2Å; K518-G520 VanDerWaalsContact C-N 3.32Å
521	C	94	Very high	93.6	Very high	18 Å²	18	38.1 Å²	38.1	12%	0.122	22%	0.215	C	C	.	.			trans	-101	166.7	-176.5	-71.1	0	0	0	0	111.2	L349 I516 A519	L349-C521 HydrophobicContact CB-CB 4.23Å; L349-C521 HydrophobicContact CD2-CB 4.15Å; I516-C521 WeakPolarHBondContact CG2-O 3.28Å; I516-C521 PolarHBondContact O-N 3Å; A519-C521 HydrophobicContact CB-CB 4.35Å; A519-C521 PolarHBondContact O-N 3.43Å; A519-C521 PolarHBondContact O-SG 2.99Å; A519-C521 VanDerWaalsContact O-SG 3.38Å
522	K	93.1	Very high	93.3	Very high	138 Å²	138	38.9 Å²	38.9	60%	0.6	22%	0.22	S	C	*	.			trans	-96.4	149.1	170.8	-63.8	176.8	-177.1	174.5	0	110.1	G524 E525 T526	K522-G524 VanDerWaalsContact C-N 3.27Å; K522-G524 PolarHBondContact O-N 2.89Å; K522-E525 HydrophobicContact CB-CB 4.46Å; K522-E525 HydrophobicContact CB-CG 4.11Å; K522-E525 PolarHBondContact O-N 3.42Å; K522-T526 PolarHBondContact O-N 3.4Å; K522-T526 PolarHBondContact O-OG1 3.25Å
523	P	91.8	Very high	92.8	Very high	54 Å²	54	39.6 Å²	39.6	35%	0.351	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-52.6	-44.8	174.2	-28.3	34.8	0	0	0	113	I516 E525 T526 A542 K543 V544 G545	I516-P523 HydrophobicContact CD1-CB 4.4Å; I516-P523 HydrophobicContact CD1-CG 4.41Å; I516-P523 HydrophobicContact CG2-CG 4.45Å; P523-E525 PolarHBondContact O-N 2.83Å; P523-E525 VanDerWaalsContact O-N 3.09Å; P523-T526 WeakPolarHBondContact O-CB 3.36Å; P523-T526 PolarHBondContact O-N 3.08Å; P523-A542 WeakPolarHBondContact CB-O 3.25Å; P523-K543 WeakPolarHBondContact CB-O 3.34Å; P523-V544 CarbonylContact O-C 3.57Å; P523-V544 WeakPolarHBondContact O-CA 3.19Å; P523-G545 PolarHBondContact O-N 3.49Å
524	G	90.9	Very high	92.5	Very high	28 Å²	28	36.6 Å²	36.6	29%	0.289	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-63.5	-15	177.4	0	0	0	0	0	115.5	Q345 K522	Q345-G524 PolarHBondContact NE2-O 2.88Å; K522-G524 VanDerWaalsContact C-N 3.27Å; K522-G524 PolarHBondContact O-N 2.89Å
525	E	93.9	Very high	92.5	Very high	39 Å²	39	33.1 Å²	33.1	18%	0.182	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-101	8.6	176.9	-59.5	177.6	155.4	0	0	111.9	F347 K348 L349 K522 P523	F347-E525 CarbonylContact C-O 3.5Å; F347-E525 WeakPolarHBondContact CA-O 3.27Å; K348-E525 WeakPolarHBondContact CD-OE2 3.17Å; K348-E525 WeakPolarHBondContact CE-OE2 3.38Å; K348-E525 HydrophobicContact CG-CB 4.44Å; K348-E525 PolarHBondContact N-O 2.73Å; K348-E525 IonicContact NZ-OE1 3.67Å; K348-E525 PolarHBondContact NZ-OE1 3.5Å; K348-E525 IonicContact NZ-OE2 2.71Å; K348-E525 PolarHBondContact NZ-OE2 3.38Å; L349-E525 PolarHBondContact N-O 3.14Å; K522-E525 HydrophobicContact CB-CB 4.46Å; K522-E525 HydrophobicContact CB-CG 4.11Å; K522-E525 PolarHBondContact O-N 3.42Å; P523-E525 PolarHBondContact O-N 2.83Å; P523-E525 VanDerWaalsContact O-N 3.09Å
526	T	95.7	Very high	92	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.6	-174.7	-56.3	0	0	0	0	111.4	L349 I351 I516 K522 P523 V544 G545 L546	L349-T526 HydrophobicContact CB-CG2 4.35Å; L349-T526 HydrophobicContact CD2-CG2 3.89Å; L349-T526 HydrophobicContact CG-CG2 4.08Å; L349-T526 CarbonylContact O-C 3.51Å; L349-T526 WeakPolarHBondContact O-CA 3.48Å; I351-T526 HydrophobicContact CD1-CG2 3.68Å; I351-T526 HydrophobicContact CG1-CG2 3.99Å; I516-T526 HydrophobicContact CD1-CG2 4.24Å; I516-T526 HydrophobicContact CG1-CG2 4.06Å; K522-T526 PolarHBondContact O-N 3.4Å; K522-T526 PolarHBondContact O-OG1 3.25Å; P523-T526 WeakPolarHBondContact O-CB 3.36Å; P523-T526 PolarHBondContact O-N 3.08Å; T526-V544 HydrophobicContact CG2-CG1 4.06Å; T526-G545 PolarHBondContact O-N 3.08Å; T526-L546 PolarHBondContact O-N 3.38Å
527	V	96.1	Very high	91.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.8	172.7	-174	0	0	0	0	109	F347 L349 V350 I351 V529 L546 V548 F578	F347-V527 HydrophobicContact CB-CG2 3.95Å; F347-V527 HydrophobicContact CD1-CG2 3.34Å; F347-V527 HydrophobicContact CD2-CG2 4.3Å; F347-V527 HydrophobicContact CE1-CG2 3.88Å; F347-V527 HydrophobicContact CG-CG2 3.58Å; L349-V527 PolarHBondContact O-N 2.97Å; V350-V527 WeakPolarHBondContact CA-O 3.42Å; V350-V527 HydrophobicContact CG2-CB 4.36Å; I351-V527 PolarHBondContact N-O 3.36Å; V527-V529 HydrophobicContact CG1-CG2 3.99Å; V527-L546 WeakPolarHBondContact CA-O 3.26Å; V527-L546 HydrophobicContact CG1-CB 4.16Å; V527-L546 HydrophobicContact CG1-CD2 4.05Å; V527-L546 HydrophobicContact CG1-CG 4.31Å; V527-L546 HydrophobicContact CG2-CB 4.14Å; V527-L546 HydrophobicContact CG2-CD2 4.32Å; V527-V548 HydrophobicContact CG1-CG2 3.91Å; V527-F578 HydrophobicContact CG2-CE1 4.24Å; V527-F578 HydrophobicContact CG2-CZ 4.02Å
528	I	96.7	Very high	91.1	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.2	171	-80.1	-86	0	0	0	109.2	I351 V512 D535 V544 L546 T547 V548	I351-I528 HydrophobicContact CB-CD1 3.57Å; I351-I528 HydrophobicContact CB-CG1 4.37Å; I351-I528 HydrophobicContact CD1-CD1 4.09Å; I351-I528 HydrophobicContact CG1-CD1 4.37Å; I351-I528 HydrophobicContact CG2-CD1 3.64Å; I351-I528 WeakPolarHBondContact O-CA 3.43Å; V512-I528 HydrophobicContact CB-CD1 4.45Å; V512-I528 HydrophobicContact CG1-CD1 3.89Å; V512-I528 HydrophobicContact CG1-CG1 4.21Å; V512-I528 HydrophobicContact CG2-CD1 3.69Å; I528-D535 WeakPolarHBondContact CG2-O 3.46Å; I528-V544 HydrophobicContact CB-CG2 4.17Å; I528-V544 HydrophobicContact CG1-CB 4.42Å; I528-V544 HydrophobicContact CG1-CG1 3.85Å; I528-V544 HydrophobicContact CG1-CG2 4.09Å; I528-L546 PolarHBondContact N-O 3.14Å; I528-T547 HydrophobicContact CB-CG2 4.38Å; I528-T547 CarbonylContact O-C 3.45Å; I528-T547 WeakPolarHBondContact O-CA 3.27Å; I528-V548 PolarHBondContact O-N 3.17Å
529	V	96.5	Very high	90.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129	-177.4	-169.2	0	0	0	0	109	V350 I351 I352 D353 V527 V548 L550 L571 L574	V350-V529 HydrophobicContact CG1-CG2 3.69Å; I351-V529 PolarHBondContact O-N 3.46Å; I352-V529 WeakPolarHBondContact CA-O 3.36Å; I352-V529 HydrophobicContact CG1-CB 4.39Å; I352-V529 HydrophobicContact CG2-CB 4.21Å; I352-V529 HydrophobicContact CG2-CG1 4.36Å; D353-V529 PolarHBondContact N-O 3.41Å; V527-V529 HydrophobicContact CG1-CG2 3.99Å; V529-V548 WeakPolarHBondContact CA-O 3.46Å; V529-V548 HydrophobicContact CG1-CB 4.39Å; V529-V548 HydrophobicContact CG2-CB 4.28Å; V529-L550 HydrophobicContact CG1-CD1 3.66Å; V529-L550 HydrophobicContact CG1-CD2 3.83Å; V529-L550 HydrophobicContact CG1-CG 3.68Å; V529-L571 HydrophobicContact CG1-CD1 4.04Å; V529-L574 HydrophobicContact CG1-CD2 4.37Å; V529-L574 HydrophobicContact CG2-CD1 4.37Å; V529-L574 HydrophobicContact CG2-CD2 3.69Å
530	G	94	Very high	90.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	163	177	0	0	0	0	0	113.1	V548 G549 L550	G530-V548 PolarHBondContact N-O 3.43Å; G530-V548 VanDerWaalsContact N-O 3.17Å; G530-G549 CarbonylContact O-C 3.59Å; G530-G549 WeakPolarHBondContact O-CA 3.43Å; G530-L550 PolarHBondContact O-N 2.95Å
531	D	89	Confident	89.7	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.011	15%	0.15	C	C	.	.	S	Bend	trans	-95.2	-4.7	-176.3	74.5	-58.5	0	0	0	113.2	D355 D535 L550 G553 F554 S555 L560	D355-D531 VanDerWaalsContact O-OD1 3.13Å; D531-D535 PolarHBondContact N-OD2 2.91Å; D531-L550 WeakPolarHBondContact CA-O 3.19Å; D531-L550 HydrophobicContact CB-CB 4.36Å; D531-G553 VanDerWaalsContact OD2-CA 3.24Å; D531-G553 WeakPolarHBondContact OD2-CA 3.33Å; D531-F554 PolarHBondContact OD2-N 3.32Å; D531-S555 WeakPolarHBondContact O-CB 3.47Å; D531-S555 PolarHBondContact O-OG 3.2Å; D531-L560 WeakPolarHBondContact O-CD2 3.21Å
532	T	86.7	Confident	89.5	Confident	18 Å²	18	26.7 Å²	26.7	11%	0.11	15%	0.147	C	C	.	.	S	Bend	trans	-116.6	154	-179.1	76	0	0	0	0	112.9	A534 D535 L536 F554	T532-A534 PolarHBondContact O-N 3.47Å; T532-A534 VanDerWaalsContact O-N 3.17Å; T532-A534 PolarHBondContact OG1-N 3.23Å; T532-D535 WeakPolarHBondContact CB-OD2 3.22Å; T532-D535 PolarHBondContact N-OD2 3.11Å; T532-D535 PolarHBondContact O-N 3.31Å; T532-D535 VanDerWaalsContact OG1-CG 3.23Å; T532-D535 PolarHBondContact OG1-N 2.99Å; T532-D535 PolarHBondContact OG1-OD2 3.12Å; T532-L536 PolarHBondContact O-N 2.73Å; T532-F554 HydrophobicContact CG2-CD2 4.44Å
533	P	81.2	Confident	89.3	Confident	16 Å²	16	28.2 Å²	28.2	10%	0.104	15%	0.154	C	C	.	.	H	α-helix	trans	-54.6	-31.1	168.1	-28.1	36.1	0	0	0	112.9	D535 L536 I537 S555 D559 L560 Y563	P533-D535 VanDerWaalsContact C-N 3.34Å; P533-D535 PolarHBondContact O-N 3.14Å; P533-L536 PolarHBondContact O-N 2.74Å; P533-I537 HydrophobicContact CB-CD1 4.23Å; P533-I537 VanDerWaalsContact O-CB 3.3Å; P533-I537 WeakPolarHBondContact O-CB 3.31Å; P533-I537 WeakPolarHBondContact O-CD1 3.49Å; P533-I537 WeakPolarHBondContact O-CG1 3.46Å; P533-I537 PolarHBondContact O-N 3.41Å; P533-S555 WeakPolarHBondContact CD-OG 3.45Å; P533-D559 HydrophobicContact CG-CB 4.33Å; P533-L560 HydrophobicContact CG-CD2 4.4Å; P533-Y563 HydrophobicContact CB-CD2 3.84Å; P533-Y563 HydrophobicContact CB-CE2 3.87Å; P533-Y563 HydrophobicContact CG-CD2 4.42Å; P533-Y563 HydrophobicContact CG-CE2 4.37Å
534	A	83.6	Confident	89.3	Confident	27 Å²	27	26.3 Å²	26.3	22%	0.223	14%	0.141	C	C	.	.	H	α-helix	trans	-64.4	-39.9	-178.1	0	0	0	0	0	111.9	K506 P507 T532 S538	K506-A534 HydrophobicContact CB-CB 4.05Å; P507-A534 HydrophobicContact CB-CB 4.31Å; T532-A534 PolarHBondContact O-N 3.47Å; T532-A534 VanDerWaalsContact O-N 3.17Å; T532-A534 PolarHBondContact OG1-N 3.23Å; A534-S538 WeakPolarHBondContact O-CB 3.44Å; A534-S538 PolarHBondContact O-N 3.09Å
535	D	92.4	Very high	89.2	Confident	4 Å²	4	25.1 Å²	25.1	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-59.6	-53.8	174.7	-53.6	-48.5	0	0	0	110.7	K506 I528 D531 T532 P533 I537 S538 G539	K506-D535 VanDerWaalsContact CD-OD1 3.25Å; K506-D535 WeakPolarHBondContact CD-OD1 3.44Å; K506-D535 WeakPolarHBondContact CE-OD1 3.4Å; K506-D535 IonicContact NZ-OD1 3.86Å; K506-D535 PolarHBondContact NZ-OD1 2.99Å; I528-D535 WeakPolarHBondContact CG2-O 3.46Å; D531-D535 PolarHBondContact N-OD2 2.91Å; T532-D535 WeakPolarHBondContact CB-OD2 3.22Å; T532-D535 PolarHBondContact N-OD2 3.11Å; T532-D535 PolarHBondContact O-N 3.31Å; T532-D535 VanDerWaalsContact OG1-CG 3.23Å; T532-D535 PolarHBondContact OG1-N 2.99Å; T532-D535 PolarHBondContact OG1-OD2 3.12Å; P533-D535 VanDerWaalsContact C-N 3.34Å; P533-D535 PolarHBondContact O-N 3.14Å; D535-I537 PolarHBondContact O-N 3.45Å; D535-S538 PolarHBondContact O-N 3.41Å; D535-S538 PolarHBondContact O-OG 3.43Å; D535-G539 PolarHBondContact O-N 2.97Å; D535-G539 VanDerWaalsContact O-N 3.07Å
536	L	87.4	Confident	89.1	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.8	-37.8	-174.4	-56.5	178.6	0	0	0	112.1	T532 P533 G539 R540 V548 L560	T532-L536 PolarHBondContact O-N 2.73Å; P533-L536 PolarHBondContact O-N 2.74Å; L536-G539 PolarHBondContact O-N 3.49Å; L536-R540 PolarHBondContact O-N 3.26Å; L536-V548 WeakPolarHBondContact CD2-O 3.2Å; L536-L560 HydrophobicContact CD1-CB 3.94Å; L536-L560 HydrophobicContact CD1-CD2 3.7Å; L536-L560 HydrophobicContact CD1-CG 4.35Å
537	I	83.5	Confident	88.7	Confident	48 Å²	48	23.4 Å²	23.4	25%	0.246	12%	0.121	C	C	.	.	H	α-helix	trans	-66.3	-39.7	175.1	-66.4	163.8	0	0	0	110.5	P507 P533 D535 R540 S541 Y563	P507-I537 HydrophobicContact CB-CB 3.86Å; P507-I537 HydrophobicContact CB-CG2 3.71Å; P533-I537 HydrophobicContact CB-CD1 4.23Å; P533-I537 VanDerWaalsContact O-CB 3.3Å; P533-I537 WeakPolarHBondContact O-CB 3.31Å; P533-I537 WeakPolarHBondContact O-CD1 3.49Å; P533-I537 WeakPolarHBondContact O-CG1 3.46Å; P533-I537 PolarHBondContact O-N 3.41Å; D535-I537 PolarHBondContact O-N 3.45Å; I537-R540 PolarHBondContact O-N 2.9Å; I537-S541 VanDerWaalsContact O-CB 3.26Å; I537-S541 WeakPolarHBondContact O-CB 3.34Å; I537-S541 PolarHBondContact O-N 3.42Å; I537-S541 PolarHBondContact O-OG 3.49Å; I537-Y563 HydrophobicContact CD1-CD1 3.98Å; I537-Y563 HydrophobicContact CD1-CE1 3.79Å; I537-Y563 HydrophobicContact CD1-CE2 4.49Å; I537-Y563 HydrophobicContact CD1-CG 4.4Å; I537-Y563 HydrophobicContact CG1-CD1 3.46Å; I537-Y563 VanDerWaalsContact CG1-CD1 3.46Å; I537-Y563 HydrophobicContact CG1-CE1 3.78Å; I537-Y563 HydrophobicContact CG1-CG 3.9Å
538	S	84.9	Confident	88.4	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62	-44	177.1	77.1	0	0	0	0	111.4	P507 V512 A534 D535 S541 A542	P507-S538 VanDerWaalsContact O-CA 3.24Å; P507-S538 WeakPolarHBondContact O-CA 3.34Å; P507-S538 PolarHBondContact O-N 3.23Å; V512-S538 WeakPolarHBondContact CG2-OG 3.4Å; A534-S538 WeakPolarHBondContact O-CB 3.44Å; A534-S538 PolarHBondContact O-N 3.09Å; D535-S538 PolarHBondContact O-N 3.41Å; D535-S538 PolarHBondContact O-OG 3.43Å; S538-S541 PolarHBondContact O-N 2.94Å; S538-A542 WeakPolarHBondContact O-CB 3.4Å; S538-A542 PolarHBondContact O-N 2.89Å
539	G	87.6	Confident	87.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-49.1	175.3	0	0	0	0	0	113	D535 L536 S541 A542 K543 V544	D535-G539 PolarHBondContact O-N 2.97Å; D535-G539 VanDerWaalsContact O-N 3.07Å; L536-G539 PolarHBondContact O-N 3.49Å; G539-S541 VanDerWaalsContact C-N 3.29Å; G539-S541 PolarHBondContact O-N 2.7Å; G539-A542 CarbonylContact O-C 3.57Å; G539-A542 PolarHBondContact O-N 3.48Å; G539-A542 VanDerWaalsContact O-N 3.14Å; G539-K543 PolarHBondContact O-N 3.31Å; G539-K543 VanDerWaalsContact O-N 3.11Å; G539-V544 WeakPolarHBondContact O-CG1 3.32Å; G539-V544 WeakPolarHBondContact O-CG2 3.45Å; G539-V544 PolarHBondContact O-N 2.89Å; G539-V544 VanDerWaalsContact O-N 3.12Å
540	R	84.1	Confident	87.4	Confident	108 Å²	108	23.1 Å²	23.1	41%	0.408	12%	0.12	S	C	.	.	H	α-helix	trans	-59.9	-40.8	177	-78.7	-167	172.7	177.2	10.5	112.2	L536 I537 A542 K543 T547 S562 Y563 S564	L536-R540 PolarHBondContact O-N 3.26Å; I537-R540 PolarHBondContact O-N 2.9Å; R540-A542 VanDerWaalsContact C-N 3.3Å; R540-A542 PolarHBondContact O-N 2.96Å; R540-K543 WeakPolarHBondContact O-CA 3.33Å; R540-K543 PolarHBondContact O-N 3.39Å; R540-T547 HydrophobicContact CG-CG2 3.9Å; R540-S562 PolarHBondContact NH1-O 3.04Å; R540-S562 PolarHBondContact NH2-O 3.25Å; R540-Y563 WeakPolarHBondContact CD-O 3.24Å; R540-Y563 PolarHBondContact NE-O 3.32Å; R540-Y563 PolarHBondContact NH2-O 2.79Å; R540-S564 PolarHBondContact NH2-O 2.97Å
541	S	81.6	Confident	86.7	Confident	65 Å²	65	24.4 Å²	24.4	46%	0.455	13%	0.126	S	C	.	.	H	α-helix	trans	-66.4	-33.9	178	-58.6	0	0	0	0	111.9	I537 S538 G539 K543	I537-S541 VanDerWaalsContact O-CB 3.26Å; I537-S541 WeakPolarHBondContact O-CB 3.34Å; I537-S541 PolarHBondContact O-N 3.42Å; I537-S541 PolarHBondContact O-OG 3.49Å; S538-S541 PolarHBondContact O-N 2.94Å; G539-S541 VanDerWaalsContact C-N 3.29Å; G539-S541 PolarHBondContact O-N 2.7Å; S541-K543 PolarHBondContact O-N 3.28Å
542	A	88.7	Confident	86.3	Confident	8 Å²	8	25.4 Å²	25.4	7%	0.066	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-1.6	171.5	0	0	0	0	0	113.6	P509 V512 I513 P523 S538 G539 R540 V544	P509-A542 HydrophobicContact CB-CB 3.84Å; V512-A542 HydrophobicContact CB-CB 3.98Å; V512-A542 HydrophobicContact CG1-CB 3.53Å; I513-A542 HydrophobicContact CG1-CB 4.15Å; P523-A542 WeakPolarHBondContact CB-O 3.25Å; S538-A542 WeakPolarHBondContact O-CB 3.4Å; S538-A542 PolarHBondContact O-N 2.89Å; G539-A542 CarbonylContact O-C 3.57Å; G539-A542 PolarHBondContact O-N 3.48Å; G539-A542 VanDerWaalsContact O-N 3.14Å; R540-A542 VanDerWaalsContact C-N 3.3Å; R540-A542 PolarHBondContact O-N 2.96Å; A542-V544 VanDerWaalsContact C-N 3.32Å; A542-V544 HydrophobicContact CB-CG1 4.2Å; A542-V544 PolarHBondContact O-N 3.05Å
543	K	89	Confident	86.2	Confident	171 Å²	171	24.9 Å²	24.9	74%	0.743	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	40.2	-178.4	-55.2	178.5	-179.8	175.1	0	113	P523 G539 R540 S541	P523-K543 WeakPolarHBondContact CB-O 3.34Å; G539-K543 PolarHBondContact O-N 3.31Å; G539-K543 VanDerWaalsContact O-N 3.11Å; R540-K543 WeakPolarHBondContact O-CA 3.33Å; R540-K543 PolarHBondContact O-N 3.39Å; S541-K543 PolarHBondContact O-N 3.28Å
544	V	92.2	Very high	86.2	Confident	13 Å²	13	25.2 Å²	25.2	8%	0.079	13%	0.131	C	C	.	.			trans	-62.5	155.7	175	-57	0	0	0	0	111.6	V512 I516 P523 T526 I528 G539 A542 L546 T547	V512-V544 HydrophobicContact CG1-CG1 3.97Å; I516-V544 HydrophobicContact CD1-CG1 4.26Å; P523-V544 CarbonylContact O-C 3.57Å; P523-V544 WeakPolarHBondContact O-CA 3.19Å; T526-V544 HydrophobicContact CG2-CG1 4.06Å; I528-V544 HydrophobicContact CB-CG2 4.17Å; I528-V544 HydrophobicContact CG1-CB 4.42Å; I528-V544 HydrophobicContact CG1-CG1 3.85Å; I528-V544 HydrophobicContact CG1-CG2 4.09Å; G539-V544 WeakPolarHBondContact O-CG1 3.32Å; G539-V544 WeakPolarHBondContact O-CG2 3.45Å; G539-V544 PolarHBondContact O-N 2.89Å; G539-V544 VanDerWaalsContact O-N 3.12Å; A542-V544 VanDerWaalsContact C-N 3.32Å; A542-V544 HydrophobicContact CB-CG1 4.2Å; A542-V544 PolarHBondContact O-N 3.05Å; V544-L546 WeakPolarHBondContact CG2-O 3.37Å; V544-T547 HydrophobicContact CG2-CG2 3.63Å
545	G	89.2	Confident	85.8	Confident	4 Å²	4	24.7 Å²	24.7	4%	0.041	13%	0.126	C	C	.	.	S	Bend	trans	-65.3	-39.2	-179.7	0	0	0	0	0	112.7	K341 P523 T526	K341-G545 VanDerWaalsContact CD-O 3.32Å; K341-G545 WeakPolarHBondContact CD-O 3.46Å; K341-G545 WeakPolarHBondContact CE-O 3.41Å; K341-G545 PolarHBondContact NZ-O 3.35Å; P523-G545 PolarHBondContact O-N 3.49Å; T526-G545 PolarHBondContact O-N 3.08Å
546	L	90.4	Very high	84.7	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	136.5	-176.5	-171.1	70.7	0	0	0	112.3	L338 L342 F347 T526 V527 I528 V544 V548 D565	L338-L546 HydrophobicContact CD1-CD1 3.68Å; L342-L546 HydrophobicContact CD2-CD2 4.05Å; F347-L546 HydrophobicContact CE1-CB 3.74Å; F347-L546 HydrophobicContact CE2-CD2 4.49Å; F347-L546 HydrophobicContact CZ-CB 3.76Å; F347-L546 HydrophobicContact CZ-CD2 4.31Å; T526-L546 PolarHBondContact O-N 3.38Å; V527-L546 WeakPolarHBondContact CA-O 3.26Å; V527-L546 HydrophobicContact CG1-CB 4.16Å; V527-L546 HydrophobicContact CG1-CD2 4.05Å; V527-L546 HydrophobicContact CG1-CG 4.31Å; V527-L546 HydrophobicContact CG2-CB 4.14Å; V527-L546 HydrophobicContact CG2-CD2 4.32Å; I528-L546 PolarHBondContact N-O 3.14Å; V544-L546 WeakPolarHBondContact CG2-O 3.37Å; L546-V548 HydrophobicContact CD2-CG2 3.93Å; L546-V548 HydrophobicContact CG-CG2 4.06Å; L546-D565 WeakPolarHBondContact CA-OD2 3.5Å; L546-D565 HydrophobicContact CD1-CB 3.6Å
547	T	88	Confident	83.7	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.5	168.4	58.3	0	0	0	0	111.7	I528 R540 V544 Y563 S564 D565 L566	I528-T547 HydrophobicContact CB-CG2 4.38Å; I528-T547 CarbonylContact O-C 3.45Å; I528-T547 WeakPolarHBondContact O-CA 3.27Å; R540-T547 HydrophobicContact CG-CG2 3.9Å; V544-T547 HydrophobicContact CG2-CG2 3.63Å; T547-Y563 PolarHBondContact OG1-O 3.41Å; T547-S564 WeakPolarHBondContact OG1-CA 3.44Å; T547-D565 PolarHBondContact N-OD2 2.98Å; T547-D565 WeakPolarHBondContact O-CB 3.29Å; T547-D565 PolarHBondContact O-N 3.45Å; T547-D565 PolarHBondContact OG1-N 3.1Å; T547-D565 PolarHBondContact OG1-OD2 3.44Å; T547-L566 PolarHBondContact O-N 2.99Å
548	V	89.5	Confident	82.6	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.2	-176.7	-175.8	0	0	0	0	109.7	V527 I528 V529 G530 L536 L546 L550 L566 L568 L574	V527-V548 HydrophobicContact CG1-CG2 3.91Å; I528-V548 PolarHBondContact O-N 3.17Å; V529-V548 WeakPolarHBondContact CA-O 3.46Å; V529-V548 HydrophobicContact CG1-CB 4.39Å; V529-V548 HydrophobicContact CG2-CB 4.28Å; G530-V548 PolarHBondContact N-O 3.43Å; G530-V548 VanDerWaalsContact N-O 3.17Å; L536-V548 WeakPolarHBondContact CD2-O 3.2Å; L546-V548 HydrophobicContact CD2-CG2 3.93Å; L546-V548 HydrophobicContact CG-CG2 4.06Å; V548-L550 HydrophobicContact CG1-CD2 4.42Å; V548-L566 CarbonylContact C-O 3.58Å; V548-L566 WeakPolarHBondContact CA-O 3.45Å; V548-L568 HydrophobicContact CG1-CD1 3.73Å; V548-L568 HydrophobicContact CG1-CG 3.83Å; V548-L574 HydrophobicContact CG1-CD1 4.47Å; V548-L574 HydrophobicContact CG2-CD1 4.41Å
549	G	85.7	Confident	81.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	138	175.1	0	0	0	0	0	111.7	G530 L566 I567 L568	G530-G549 CarbonylContact O-C 3.59Å; G530-G549 WeakPolarHBondContact O-CA 3.43Å; G549-L566 PolarHBondContact N-O 3.5Å; G549-I567 CarbonylContact O-C 3.49Å; G549-I567 VanDerWaalsContact O-CA 3.29Å; G549-I567 WeakPolarHBondContact O-CA 3.42Å; G549-L568 PolarHBondContact O-N 3.04Å
550	L	86.3	Confident	81.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	143.3	174.7	-58.6	-173.8	0	0	0	111.5	S357 V529 G530 D531 V548 L560 L568 L571	S357-L550 WeakPolarHBondContact OG-CD1 3.29Å; V529-L550 HydrophobicContact CG1-CD1 3.66Å; V529-L550 HydrophobicContact CG1-CD2 3.83Å; V529-L550 HydrophobicContact CG1-CG 3.68Å; G530-L550 PolarHBondContact O-N 2.95Å; D531-L550 WeakPolarHBondContact CA-O 3.19Å; D531-L550 HydrophobicContact CB-CB 4.36Å; V548-L550 HydrophobicContact CG1-CD2 4.42Å; L550-L560 VanDerWaalsContact O-CD1 3.27Å; L550-L560 WeakPolarHBondContact O-CD1 3.48Å; L550-L568 HydrophobicContact CD2-CB 3.94Å; L550-L568 HydrophobicContact CD2-CD1 4.5Å; L550-L571 HydrophobicContact CD1-CB 3.96Å; L550-L571 HydrophobicContact CD1-CD1 4.34Å
551	L	79.5	Confident	80.5	Confident	26 Å²	26	27.4 Å²	27.4	14%	0.136	15%	0.154	C	C	.	.	S	Bend	trans	-105.3	7	-177.9	-64.6	174.4	0	0	0	114.1	Q182 G553 A557 L560 I567 L568 P569	Q182-L551 HydrophobicContact CB-CD1 3.28Å; Q182-L551 HydrophobicContact CG-CD1 3.12Å; Q182-L551 HydrophobicContact CG-CG 4.44Å; L551-G553 VanDerWaalsContact C-N 3.3Å; L551-A557 HydrophobicContact CD1-CB 4.07Å; L551-A557 HydrophobicContact CD2-CB 3.92Å; L551-A557 VanDerWaalsContact CD2-N 3.32Å; L551-L560 HydrophobicContact CD2-CD1 3.87Å; L551-I567 HydrophobicContact CD1-CG2 3.42Å; L551-I567 VanDerWaalsContact CD1-CG2 3.42Å; L551-I567 HydrophobicContact CD2-CG2 4.09Å; L551-I567 HydrophobicContact CG-CG2 3.57Å; L551-L568 PolarHBondContact N-O 3.34Å; L551-L568 VanDerWaalsContact N-O 3.1Å; L551-P569 CarbonylContact C-O 3.59Å; L551-P569 PolarHBondContact N-O 3.06Å
552	S	81.3	Confident	80.1	Confident	24 Å²	24	27.7 Å²	27.7	17%	0.168	16%	0.156	C	C	.	.	S	Bend	trans	-82.2	-5.3	175	45	0	0	0	0	114.2	G356 P569	G356-S552 CarbonylContact O-C 3.47Å; G356-S552 VanDerWaalsContact O-CB 3.32Å; G356-S552 WeakPolarHBondContact O-CB 3.31Å; G356-S552 PolarHBondContact O-OG 3.26Å; S552-P569 PolarHBondContact N-O 3.14Å; S552-P569 VanDerWaalsContact N-O 3.09Å
553	G	85.2	Confident	79.5	Confident	6 Å²	6	30.4 Å²	30.4	6%	0.062	17%	0.165	C	C	.	.	S	Bend	trans	-109.8	-141.1	179.1	0	0	0	0	0	113.8	G356 D531 L551	G356-G553 PolarHBondContact O-N 3.43Å; D531-G553 VanDerWaalsContact OD2-CA 3.24Å; D531-G553 WeakPolarHBondContact OD2-CA 3.33Å; L551-G553 VanDerWaalsContact C-N 3.3Å
554	F	80	Confident	79.1	Confident	23 Å²	23	22.7 Å²	22.7	10%	0.101	13%	0.133	C	C	.	.	S	Bend	trans	-80	-27.9	-169.1	-63.9	-66.6	0	0	0	114.9	V361 W365 I401 S407 D531 T532	V361-F554 HydrophobicContact CB-CD1 4.44Å; V361-F554 HydrophobicContact CB-CE1 3.73Å; V361-F554 HydrophobicContact CB-CE2 4.09Å; V361-F554 HydrophobicContact CB-CZ 3.55Å; V361-F554 HydrophobicContact CG1-CE2 3.99Å; V361-F554 HydrophobicContact CG1-CZ 3.92Å; V361-F554 HydrophobicContact CG2-CD1 3.72Å; V361-F554 HydrophobicContact CG2-CD2 4.36Å; V361-F554 HydrophobicContact CG2-CE1 3.48Å; V361-F554 VanDerWaalsContact CG2-CE1 3.48Å; V361-F554 HydrophobicContact CG2-CE2 4.16Å; V361-F554 HydrophobicContact CG2-CG 4.17Å; V361-F554 HydrophobicContact CG2-CZ 3.75Å; W365-F554 AromaticContact CD1-CE1 3.99Å; W365-F554 AromaticContact CD1-CZ 3.56Å; W365-F554 HydrophobicContact CG-CZ 4.48Å; W365-F554 AromaticContact NE1-CZ 3.68Å; I401-F554 HydrophobicContact CB-CD1 3.92Å; I401-F554 HydrophobicContact CB-CE1 3.79Å; I401-F554 HydrophobicContact CG2-CD1 3.79Å; I401-F554 HydrophobicContact CG2-CE1 3.73Å; S407-F554 VanDerWaalsContact CB-CB 3.48Å; D531-F554 PolarHBondContact OD2-N 3.32Å; T532-F554 HydrophobicContact CG2-CD2 4.44Å
555	S	76	Confident	78.5	Confident	16 Å²	16	23.6 Å²	23.6	11%	0.112	14%	0.137	C	C	.	.			trans	-96.2	148.4	-165.5	-48.4	0	0	0	0	113.2	D531 P533	D531-S555 WeakPolarHBondContact O-CB 3.47Å; D531-S555 PolarHBondContact O-OG 3.2Å; P533-S555 WeakPolarHBondContact CD-OG 3.45Å
556	S	68.1	Low	78	Confident	28 Å²	28	24.8 Å²	24.8	20%	0.196	14%	0.143	C	C	.	.			trans	-80.7	165.1	168.8	70.7	0	0	0	0	111	S184 T558 D559 L560	S184-S556 PolarHBondContact OG-OG 2.66Å; S556-T558 PolarHBondContact O-N 3.14Å; S556-T558 PolarHBondContact OG-OG1 3.07Å; S556-D559 WeakPolarHBondContact CB-OD2 3.36Å; S556-D559 PolarHBondContact N-OD2 3.36Å; S556-D559 WeakPolarHBondContact O-CB 3.32Å; S556-D559 PolarHBondContact O-N 3.05Å; S556-D559 PolarHBondContact OG-N 2.89Å; S556-D559 PolarHBondContact OG-OD2 2.98Å; S556-L560 WeakPolarHBondContact O-CG 3.5Å; S556-L560 PolarHBondContact O-N 3.5Å
557	A	66.3	Low	77.3	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-67.2	-27.1	176.4	0	0	0	0	0	111.9	V57 Q182 L551 D559 L560 I561 I567	V57-A557 HydrophobicContact CG1-CB 3.91Å; V57-A557 HydrophobicContact CG2-CB 4.34Å; Q182-A557 HydrophobicContact CB-CB 4.32Å; Q182-A557 WeakPolarHBondContact O-CB 3.22Å; L551-A557 HydrophobicContact CD1-CB 4.07Å; L551-A557 HydrophobicContact CD2-CB 3.92Å; L551-A557 VanDerWaalsContact CD2-N 3.32Å; A557-D559 PolarHBondContact O-N 3.03Å; A557-L560 PolarHBondContact O-N 3.36Å; A557-L560 VanDerWaalsContact O-N 3.15Å; A557-I561 VanDerWaalsContact O-CB 3.28Å; A557-I561 WeakPolarHBondContact O-CB 3.32Å; A557-I561 PolarHBondContact O-N 3.39Å; A557-I567 HydrophobicContact CB-CD1 3.72Å; A557-I567 HydrophobicContact CB-CG2 4.35Å
558	T	61.8	Low	76.8	Confident	78 Å²	78	26.3 Å²	26.3	48%	0.479	15%	0.15	S	C	.	.	H	α-helix	trans	-62.4	-29.5	172.9	49.8	0	0	0	0	112.9	S184 S556	S184-T558 WeakPolarHBondContact OG-CB 3.36Å; S184-T558 WeakPolarHBondContact OG-CG2 3.28Å; S184-T558 PolarHBondContact OG-OG1 2.81Å; S556-T558 PolarHBondContact O-N 3.14Å; S556-T558 PolarHBondContact OG-OG1 3.07Å
559	D	69.1	Low	75.8	Confident	46 Å²	46	26.9 Å²	26.9	25%	0.246	15%	0.154	C	C	.	.	H	α-helix	trans	-75.7	-34.2	176	-56.6	-46.1	0	0	0	111.3	P533 S556 A557 Y563	P533-D559 HydrophobicContact CG-CB 4.33Å; S556-D559 WeakPolarHBondContact CB-OD2 3.36Å; S556-D559 PolarHBondContact N-OD2 3.36Å; S556-D559 WeakPolarHBondContact O-CB 3.32Å; S556-D559 PolarHBondContact O-N 3.05Å; S556-D559 PolarHBondContact OG-N 2.89Å; S556-D559 PolarHBondContact OG-OD2 2.98Å; A557-D559 PolarHBondContact O-N 3.03Å; D559-Y563 VanDerWaalsContact O-CD2 3.28Å; D559-Y563 WeakPolarHBondContact O-CD2 3.4Å; D559-Y563 WeakPolarHBondContact O-CE2 3.41Å
560	L	71.1	Confident	75.7	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-89.4	-33.4	-173.4	-59.3	-179.7	0	0	0	114.1	D531 P533 L536 L550 L551 S556 A557 S562 Y563 S564 I567	D531-L560 WeakPolarHBondContact O-CD2 3.21Å; P533-L560 HydrophobicContact CG-CD2 4.4Å; L536-L560 HydrophobicContact CD1-CB 3.94Å; L536-L560 HydrophobicContact CD1-CD2 3.7Å; L536-L560 HydrophobicContact CD1-CG 4.35Å; L550-L560 VanDerWaalsContact O-CD1 3.27Å; L550-L560 WeakPolarHBondContact O-CD1 3.48Å; L551-L560 HydrophobicContact CD2-CD1 3.87Å; S556-L560 WeakPolarHBondContact O-CG 3.5Å; S556-L560 PolarHBondContact O-N 3.5Å; A557-L560 PolarHBondContact O-N 3.36Å; A557-L560 VanDerWaalsContact O-N 3.15Å; L560-S562 PolarHBondContact O-N 3.25Å; L560-Y563 CarbonylContact O-C 3.4Å; L560-Y563 WeakPolarHBondContact O-CA 3.23Å; L560-Y563 PolarHBondContact O-N 2.88Å; L560-S564 PolarHBondContact O-N 3.34Å; L560-S564 PolarHBondContact O-OG 3.41Å; L560-I567 HydrophobicContact CB-CD1 4.09Å
561	I	71.2	Confident	75.8	Confident	64 Å²	64	28.2 Å²	28.2	33%	0.328	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.9	-169.9	-161.5	165.7	0	0	0	113.7	A59 A557 Y563 I567	A59-I561 HydrophobicContact CB-CD1 3.99Å; A557-I561 VanDerWaalsContact O-CB 3.28Å; A557-I561 WeakPolarHBondContact O-CB 3.32Å; A557-I561 PolarHBondContact O-N 3.39Å; I561-Y563 PolarHBondContact O-N 3.01Å; I561-I567 HydrophobicContact CB-CD1 4.05Å; I561-I567 HydrophobicContact CG1-CD1 4.43Å
562	S	73.2	Confident	76.1	Confident	72 Å²	72	28.7 Å²	28.7	50%	0.503	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-16.9	178.1	-65.9	0	0	0	0	112.8	R540 L560	R540-S562 PolarHBondContact NH1-O 3.04Å; R540-S562 PolarHBondContact NH2-O 3.25Å; L560-S562 PolarHBondContact O-N 3.25Å
563	Y	77.2	Confident	76	Confident	64 Å²	64	29.8 Å²	29.8	25%	0.251	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-16.5	-170.9	-48	-68.6	0	0	0	113.7	P533 I537 R540 T547 D559 L560 I561	P533-Y563 HydrophobicContact CB-CD2 3.84Å; P533-Y563 HydrophobicContact CB-CE2 3.87Å; P533-Y563 HydrophobicContact CG-CD2 4.42Å; P533-Y563 HydrophobicContact CG-CE2 4.37Å; I537-Y563 HydrophobicContact CD1-CD1 3.98Å; I537-Y563 HydrophobicContact CD1-CE1 3.79Å; I537-Y563 HydrophobicContact CD1-CE2 4.49Å; I537-Y563 HydrophobicContact CD1-CG 4.4Å; I537-Y563 HydrophobicContact CG1-CD1 3.46Å; I537-Y563 VanDerWaalsContact CG1-CD1 3.46Å; I537-Y563 HydrophobicContact CG1-CE1 3.78Å; I537-Y563 HydrophobicContact CG1-CG 3.9Å; R540-Y563 WeakPolarHBondContact CD-O 3.24Å; R540-Y563 PolarHBondContact NE-O 3.32Å; R540-Y563 PolarHBondContact NH2-O 2.79Å; T547-Y563 PolarHBondContact OG1-O 3.41Å; D559-Y563 VanDerWaalsContact O-CD2 3.28Å; D559-Y563 WeakPolarHBondContact O-CD2 3.4Å; D559-Y563 WeakPolarHBondContact O-CE2 3.41Å; L560-Y563 CarbonylContact O-C 3.4Å; L560-Y563 WeakPolarHBondContact O-CA 3.23Å; L560-Y563 PolarHBondContact O-N 2.88Å; I561-Y563 PolarHBondContact O-N 3.01Å
564	S	79.6	Confident	76.1	Confident	10 Å²	10	29.5 Å²	29.5	7%	0.07	17%	0.166	C	C	.	.			trans	-92.4	155.5	174.5	56.8	0	0	0	0	112.7	R540 T547 L560 L566 I567	R540-S564 PolarHBondContact NH2-O 2.97Å; T547-S564 WeakPolarHBondContact OG1-CA 3.44Å; L560-S564 PolarHBondContact O-N 3.34Å; L560-S564 PolarHBondContact O-OG 3.41Å; S564-L566 VanDerWaalsContact CB-O 3.23Å; S564-L566 WeakPolarHBondContact CB-O 3.33Å; S564-I567 VanDerWaalsContact OG-CG1 3.23Å; S564-I567 WeakPolarHBondContact OG-CG1 3.21Å
565	D	79.7	Confident	76.3	Confident	31 Å²	31	28.8 Å²	28.8	17%	0.166	16%	0.163	C	C	.	.	S	Bend	trans	-87.7	-30.6	161	-67.7	-65.5	0	0	0	110.8	L338 K341 L546 T547	L338-D565 HydrophobicContact CD1-CB 4.08Å; K341-D565 IonicContact NZ-OD1 3.69Å; K341-D565 PolarHBondContact NZ-OD1 3.26Å; K341-D565 IonicContact NZ-OD2 3.91Å; K341-D565 PolarHBondContact NZ-OD2 2.75Å; L546-D565 WeakPolarHBondContact CA-OD2 3.5Å; L546-D565 HydrophobicContact CD1-CB 3.6Å; T547-D565 PolarHBondContact N-OD2 2.98Å; T547-D565 WeakPolarHBondContact O-CB 3.29Å; T547-D565 PolarHBondContact O-N 3.45Å; T547-D565 PolarHBondContact OG1-N 3.1Å; T547-D565 PolarHBondContact OG1-OD2 3.44Å
566	L	79.1	Confident	76.4	Confident	30 Å²	30	31.9 Å²	31.9	16%	0.157	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.2	179.7	180	65.9	0	0	0	110.8	L332 T547 V548 G549 S564 L568 L577	L332-L566 HydrophobicContact CD1-CD1 4.31Å; T547-L566 PolarHBondContact O-N 2.99Å; V548-L566 CarbonylContact C-O 3.58Å; V548-L566 WeakPolarHBondContact CA-O 3.45Å; G549-L566 PolarHBondContact N-O 3.5Å; S564-L566 VanDerWaalsContact CB-O 3.23Å; S564-L566 WeakPolarHBondContact CB-O 3.33Å; L566-L568 HydrophobicContact CD2-CD2 4Å; L566-L568 HydrophobicContact CD2-CG 4.36Å; L566-L568 HydrophobicContact CG-CD2 4.29Å; L566-L577 HydrophobicContact CD2-CD1 3.36Å; L566-L577 HydrophobicContact CD2-CD2 3.69Å; L566-L577 HydrophobicContact CD2-CG 4.18Å
567	I	74.6	Confident	76.8	Confident	24 Å²	24	32.8 Å²	32.8	12%	0.123	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.8	173.8	-59	178.8	0	0	0	109.1	G549 L551 A557 L560 I561 S564	G549-I567 CarbonylContact O-C 3.49Å; G549-I567 VanDerWaalsContact O-CA 3.29Å; G549-I567 WeakPolarHBondContact O-CA 3.42Å; L551-I567 HydrophobicContact CD1-CG2 3.42Å; L551-I567 VanDerWaalsContact CD1-CG2 3.42Å; L551-I567 HydrophobicContact CD2-CG2 4.09Å; L551-I567 HydrophobicContact CG-CG2 3.57Å; A557-I567 HydrophobicContact CB-CD1 3.72Å; A557-I567 HydrophobicContact CB-CG2 4.35Å; L560-I567 HydrophobicContact CB-CD1 4.09Å; I561-I567 HydrophobicContact CB-CD1 4.05Å; I561-I567 HydrophobicContact CG1-CD1 4.43Å; S564-I567 VanDerWaalsContact OG-CG1 3.23Å; S564-I567 WeakPolarHBondContact OG-CG1 3.21Å
568	L	78.5	Confident	77.3	Confident	10 Å²	10	35 Å²	35	5%	0.052	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	153.2	178.1	-61.8	178.9	0	0	0	110.9	V548 G549 L550 L551 L566 N570 H573 L574 L577	V548-L568 HydrophobicContact CG1-CD1 3.73Å; V548-L568 HydrophobicContact CG1-CG 3.83Å; G549-L568 PolarHBondContact O-N 3.04Å; L550-L568 HydrophobicContact CD2-CB 3.94Å; L550-L568 HydrophobicContact CD2-CD1 4.5Å; L551-L568 PolarHBondContact N-O 3.34Å; L551-L568 VanDerWaalsContact N-O 3.1Å; L566-L568 HydrophobicContact CD2-CD2 4Å; L566-L568 HydrophobicContact CD2-CG 4.36Å; L566-L568 HydrophobicContact CG-CD2 4.29Å; L568-N570 PolarHBondContact O-N 3.12Å; L568-H573 HydrophobicContact CB-CB 4.47Å; L568-H573 HydrophobicContact CD1-CB 4.23Å; L568-H573 HydrophobicContact CD2-CB 4.27Å; L568-L574 HydrophobicContact CD1-CB 4.15Å; L568-L574 HydrophobicContact CD1-CD1 4.13Å; L568-L577 HydrophobicContact CD1-CD1 4.28Å
569	P	69.1	Low	77.6	Confident	12 Å²	12	35.4 Å²	35.4	8%	0.078	20%	0.196	C	C	.	.	S	Bend	trans	-56.9	-47.4	175	-22.3	31.3	0	0	0	113	F55 T178 L551 S552	F55-P569 HydrophobicContact CD1-CG 3.37Å; F55-P569 HydrophobicContact CE1-CG 3.57Å; F55-P569 HydrophobicContact CG-CG 4.22Å; T178-P569 HydrophobicContact CG2-CB 4.1Å; L551-P569 CarbonylContact C-O 3.59Å; L551-P569 PolarHBondContact N-O 3.06Å; S552-P569 PolarHBondContact N-O 3.14Å; S552-P569 VanDerWaalsContact N-O 3.09Å
570	N	82.3	Confident	77	Confident	28 Å²	28	43.5 Å²	43.5	15%	0.15	24%	0.239	C	C	.	.	S	Bend	trans	-159.9	178.7	177.6	72.2	75.6	0	0	0	109.3	I451 L568 S572 H573	I451-N570 HydrophobicContact CG2-CB 4.14Å; L568-N570 PolarHBondContact O-N 3.12Å; N570-S572 VanDerWaalsContact C-N 3.25Å; N570-S572 PolarHBondContact O-N 3.18Å; N570-S572 WeakPolarHBondContact OD1-CB 3.42Å; N570-S572 PolarHBondContact OD1-N 3.23Å; N570-S572 PolarHBondContact OD1-OG 2.94Å; N570-H573 PolarHBondContact O-N 2.89Å
571	L	88.7	Confident	77.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-63	-25.6	-175.3	-175.8	63.5	0	0	0	114.1	I352 S357 F358 T454 V458 V529 L550 H573 L574	I352-L571 HydrophobicContact CD1-CD1 4.04Å; I352-L571 HydrophobicContact CD1-CD2 4.13Å; I352-L571 HydrophobicContact CG2-CD1 3.97Å; I352-L571 HydrophobicContact CG2-CD2 3.98Å; S357-L571 WeakPolarHBondContact O-CB 3.36Å; F358-L571 HydrophobicContact CD1-CD2 3.87Å; F358-L571 HydrophobicContact CD2-CD2 4.33Å; F358-L571 HydrophobicContact CE1-CD2 3.4Å; F358-L571 VanDerWaalsContact CE1-CD2 3.4Å; F358-L571 HydrophobicContact CE2-CD2 3.93Å; F358-L571 HydrophobicContact CG-CD2 4.32Å; F358-L571 HydrophobicContact CZ-CD2 3.44Å; F358-L571 VanDerWaalsContact CZ-CD2 3.44Å; T454-L571 HydrophobicContact CG2-CB 3.86Å; V458-L571 HydrophobicContact CG2-CD2 4.35Å; V529-L571 HydrophobicContact CG1-CD1 4.04Å; L550-L571 HydrophobicContact CD1-CB 3.96Å; L550-L571 HydrophobicContact CD1-CD1 4.34Å; L571-H573 PolarHBondContact O-N 3.31Å; L571-H573 VanDerWaalsContact O-N 3.12Å; L571-L574 HydrophobicContact CD1-CB 4.11Å; L571-L574 HydrophobicContact CD1-CD2 3.56Å; L571-L574 HydrophobicContact CD1-CG 4.49Å; L571-L574 WeakPolarHBondContact O-CB 3.34Å; L571-L574 PolarHBondContact O-N 3.49Å
572	S	85.6	Confident	77.6	Confident	35 Å²	35	44.7 Å²	44.7	25%	0.245	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-60.8	-24.8	-177	76.4	0	0	0	0	113.9	N570 L574 P575	N570-S572 VanDerWaalsContact C-N 3.25Å; N570-S572 PolarHBondContact O-N 3.18Å; N570-S572 WeakPolarHBondContact OD1-CB 3.42Å; N570-S572 PolarHBondContact OD1-N 3.23Å; N570-S572 PolarHBondContact OD1-OG 2.94Å; S572-L574 VanDerWaalsContact C-N 3.33Å; S572-P575 WeakPolarHBondContact O-CD 3.27Å
573	H	80.5	Confident	77.8	Confident	47 Å²	47	43.2 Å²	43.2	22%	0.218	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-82	-12.3	179.4	-62.4	-95.3	0	0	0	113.1	F55 L568 N570 L571 S576	F55-H573 AromaticContact CE1-CE1 3.73Å; F55-H573 AromaticContact CE2-CE1 3.88Å; F55-H573 AromaticContact CE2-ND1 3.61Å; F55-H573 AromaticContact CZ-CE1 3.26Å; F55-H573 WeakPolarHBondContact CZ-CE1 2.93Å; F55-H573 AromaticContact CZ-ND1 3.49Å; F55-H573 WeakPolarHBondContact CZ-ND1 3.44Å; L568-H573 HydrophobicContact CB-CB 4.47Å; L568-H573 HydrophobicContact CD1-CB 4.23Å; L568-H573 HydrophobicContact CD2-CB 4.27Å; N570-H573 PolarHBondContact O-N 2.89Å; L571-H573 PolarHBondContact O-N 3.31Å; L571-H573 VanDerWaalsContact O-N 3.12Å; H573-S576 PolarHBondContact O-N 3.39Å; H573-S576 PolarHBondContact O-OG 3.19Å
574	L	85.9	Confident	77.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-62.5	-41.8	-173	-177.1	63.5	0	0	0	114.6	V350 L461 V529 V548 L568 L571 S572 S576 L577 F578	V350-L574 HydrophobicContact CG1-CD2 3.87Å; L461-L574 HydrophobicContact CD1-CD2 3.92Å; L461-L574 HydrophobicContact CD1-CG 4.45Å; L461-L574 HydrophobicContact CD2-CG 4.42Å; V529-L574 HydrophobicContact CG1-CD2 4.37Å; V529-L574 HydrophobicContact CG2-CD1 4.37Å; V529-L574 HydrophobicContact CG2-CD2 3.69Å; V548-L574 HydrophobicContact CG1-CD1 4.47Å; V548-L574 HydrophobicContact CG2-CD1 4.41Å; L568-L574 HydrophobicContact CD1-CB 4.15Å; L568-L574 HydrophobicContact CD1-CD1 4.13Å; L571-L574 HydrophobicContact CD1-CB 4.11Å; L571-L574 HydrophobicContact CD1-CD2 3.56Å; L571-L574 HydrophobicContact CD1-CG 4.49Å; L571-L574 WeakPolarHBondContact O-CB 3.34Å; L571-L574 PolarHBondContact O-N 3.49Å; S572-L574 VanDerWaalsContact C-N 3.33Å; L574-S576 PolarHBondContact O-N 3.13Å; L574-L577 HydrophobicContact CD1-CD1 3.85Å; L574-L577 WeakPolarHBondContact O-CB 3.41Å; L574-L577 PolarHBondContact O-N 2.88Å; L574-L577 VanDerWaalsContact O-N 3.13Å; L574-F578 HydrophobicContact CD1-CE2 3.92Å; L574-F578 HydrophobicContact CD1-CZ 4.36Å; L574-F578 HydrophobicContact CG-CE2 3.99Å; L574-F578 WeakPolarHBondContact O-CD2 3.39Å
575	P	84.8	Confident	77.8	Confident	8 Å²	8	43.9 Å²	43.9	5%	0.052	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-58	-33.2	-179.6	-24.4	34.1	0	0	0	113.8	A457 T460 L461 S572 L577 F578 I579	A457-P575 HydrophobicContact CB-CG 3.71Å; T460-P575 HydrophobicContact CG2-CB 3.78Å; T460-P575 HydrophobicContact CG2-CG 4.3Å; L461-P575 HydrophobicContact CD2-CB 4.33Å; L461-P575 HydrophobicContact CD2-CG 4.27Å; L461-P575 HydrophobicContact CG-CG 4.22Å; S572-P575 WeakPolarHBondContact O-CD 3.27Å; P575-L577 PolarHBondContact O-N 3.09Å; P575-F578 PolarHBondContact O-N 3.18Å; P575-I579 HydrophobicContact CB-CD1 4.06Å; P575-I579 WeakPolarHBondContact O-CG1 3.34Å; P575-I579 PolarHBondContact O-N 3.44Å
576	S	78.6	Confident	77.6	Confident	82 Å²	82	44.8 Å²	44.8	57%	0.573	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-61.3	-15.4	179.7	72.5	0	0	0	0	114.2	H573 L574 F578	H573-S576 PolarHBondContact O-N 3.39Å; H573-S576 PolarHBondContact O-OG 3.19Å; L574-S576 PolarHBondContact O-N 3.13Å; S576-F578 VanDerWaalsContact C-N 3.29Å
577	L	75.4	Confident	77.5	Confident	47 Å²	47	45.9 Å²	45.9	25%	0.246	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-78.2	-14.9	175.1	-57.5	-175.4	0	0	0	113.6	L566 L568 L574 P575	L566-L577 HydrophobicContact CD2-CD1 3.36Å; L566-L577 HydrophobicContact CD2-CD2 3.69Å; L566-L577 HydrophobicContact CD2-CG 4.18Å; L568-L577 HydrophobicContact CD1-CD1 4.28Å; L574-L577 HydrophobicContact CD1-CD1 3.85Å; L574-L577 WeakPolarHBondContact O-CB 3.41Å; L574-L577 PolarHBondContact O-N 2.88Å; L574-L577 VanDerWaalsContact O-N 3.13Å; P575-L577 PolarHBondContact O-N 3.09Å
578	F	78	Confident	77.8	Confident	47 Å²	47	47.5 Å²	47.5	21%	0.206	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-9.3	-171.7	-52.9	-68.8	0	0	0	113.2	F347 L461 I464 L466 V527 L574 P575 S576	F347-F578 HydrophobicContact CB-CE1 4.2Å; F347-F578 HydrophobicContact CD2-CD1 4.36Å; F347-F578 AromaticContact CD2-CE1 3.79Å; F347-F578 HydrophobicContact CD2-CE1 3.79Å; F347-F578 HydrophobicContact CG-CE1 4.19Å; L461-F578 HydrophobicContact CD2-CD2 3.69Å; L461-F578 HydrophobicContact CD2-CE2 3.85Å; I464-F578 HydrophobicContact CD1-CB 3.54Å; I464-F578 HydrophobicContact CD1-CD2 4.33Å; I464-F578 HydrophobicContact CD1-CG 4.29Å; L466-F578 HydrophobicContact CD1-CB 4.42Å; L466-F578 HydrophobicContact CD1-CD1 4.23Å; L466-F578 HydrophobicContact CD1-CD2 3.77Å; L466-F578 HydrophobicContact CD1-CE1 4.46Å; L466-F578 HydrophobicContact CD1-CE2 4.02Å; L466-F578 HydrophobicContact CD1-CG 3.88Å; L466-F578 HydrophobicContact CD1-CZ 4.37Å; V527-F578 HydrophobicContact CG2-CE1 4.24Å; V527-F578 HydrophobicContact CG2-CZ 4.02Å; L574-F578 HydrophobicContact CD1-CE2 3.92Å; L574-F578 HydrophobicContact CD1-CZ 4.36Å; L574-F578 HydrophobicContact CG-CE2 3.99Å; L574-F578 WeakPolarHBondContact O-CD2 3.39Å; P575-F578 PolarHBondContact O-N 3.18Å; S576-F578 VanDerWaalsContact C-N 3.29Å
579	I	68.5	Low	77.7	Confident	86 Å²	86	50.7 Å²	50.7	44%	0.441	28%	0.28	S	S	.	.			trans	-99.5	120.3	176.8	-61.2	166.5	0	0	0	106.4	T460 I464 P575	T460-I579 HydrophobicContact CG2-CD1 3.78Å; I464-I579 HydrophobicContact CD1-CG1 4.42Å; I464-I579 HydrophobicContact CG2-CD1 4.31Å; I464-I579 HydrophobicContact CG2-CG1 3.93Å; P575-I579 HydrophobicContact CB-CD1 4.06Å; P575-I579 WeakPolarHBondContact O-CG1 3.34Å; P575-I579 PolarHBondContact O-N 3.44Å
580	D	55	Low	78.5	Confident	216 Å²	216	54.2 Å²	54.2	100%	1.155	30%	0.299	S	S	*	.			trans	-67.6	0	176	-79.4	-31.7	0	0	0	112.5

Retrieved 580 of 580 residues in 221.9 ms (Link to these results)

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