O96370_SCHMA Loading...

Tryptophan hydroxylase

AlphaFold DB , UniProt , Accession O96370, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene TPH, Length 497 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	46.7	Very low	39.4	Very low	8 Å²	8	70.2 Å²	70.2	4%	0.039	33%	0.325	C	S	.	.				0	50.3	0	-154.7	-173.2	-66.8	0	0	113.8	V270 Y273 F279 Y289 T291 E311 E355	M1-V270 HydrophobicContact CE-CG1 3.73Å; M1-V270 HydrophobicContact SD-CG1 3.95Å; M1-Y273 HydrophobicContact CG-CD1 4.37Å; M1-F279 HydrophobicContact CB-CD2 3.84Å; M1-F279 HydrophobicContact CB-CE2 3.62Å; M1-F279 HydrophobicContact CB-CG 4.39Å; M1-F279 HydrophobicContact CB-CZ 3.99Å; M1-F279 HydrophobicContact CE-CE2 4.02Å; M1-F279 HydrophobicContact CG-CD2 3.89Å; M1-F279 HydrophobicContact CG-CE2 4Å; M1-F279 HydrophobicContact SD-CD2 3.35Å; M1-F279 WeakPolarHBondContact SD-CD2 3.38Å; M1-F279 HydrophobicContact SD-CE2 3.4Å; M1-F279 WeakPolarHBondContact SD-CE2 3.48Å; M1-Y289 WeakPolarHBondContact CE-O 3.48Å; M1-T291 HydrophobicContact CE-CG2 4.46Å; M1-E311 WeakPolarHBondContact CE-OE1 3.44Å; M1-E355 PolarHBondContact N-OE1 3.39Å
2	I	38	Very low	38.8	Very low	16 Å²	16	73.5 Å²	73.5	8%	0.082	35%	0.346	C	S	.	.			trans	-143.4	118.7	175.2	-56	177.2	0	0	0	109.3	A276 F279 L280 A347 Y350	I2-A276 HydrophobicContact CG2-CB 3.36Å; I2-F279 HydrophobicContact CD1-CD1 4.2Å; I2-F279 HydrophobicContact CG1-CD1 3.92Å; I2-L280 HydrophobicContact CD1-CD1 4.4Å; I2-L280 HydrophobicContact CD1-CD2 3.71Å; I2-L280 HydrophobicContact CD1-CG 4Å; I2-A347 HydrophobicContact CD1-CB 4.12Å; I2-A347 HydrophobicContact CG2-CB 3.49Å; I2-A347 VanDerWaalsContact CG2-CB 3.49Å; I2-Y350 HydrophobicContact CD1-CD1 3.33Å; I2-Y350 HydrophobicContact CD1-CD2 4.34Å; I2-Y350 HydrophobicContact CD1-CE1 3.92Å; I2-Y350 HydrophobicContact CD1-CG 3.6Å; I2-Y350 HydrophobicContact CG1-CD1 4.16Å; I2-Y350 HydrophobicContact CG1-CE1 4.34Å
3	S	40.5	Very low	38.7	Very low	28 Å²	28	75.8 Å²	75.8	20%	0.196	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-102.2	135	169.3	-172.9	0	0	0	0	109.2
4	T	39.1	Very low	38.6	Very low	15 Å²	15	79.1 Å²	79.1	9%	0.092	38%	0.377	C	S	.	.			trans	-84.8	141.8	173	79.4	0	0	0	0	110	S6 D7 K344	T4-S6 PolarHBondContact O-N 3.38Å; T4-S6 PolarHBondContact OG1-OG 3.07Å; T4-S6 VanDerWaalsContact OG1-OG 3.05Å; T4-D7 WeakPolarHBondContact O-CB 3.47Å; T4-D7 PolarHBondContact O-N 3.3Å; T4-D7 VanDerWaalsContact OG1-CG 3.25Å; T4-D7 PolarHBondContact OG1-OD2 3.46Å; T4-K344 HydrophobicContact CG2-CG 4.3Å
5	E	36.2	Very low	38.2	Very low	133 Å²	133	80.5 Å²	80.5	62%	0.621	39%	0.388	S	S	*	.	H	α-helix	trans	-58.9	-22.2	-175.9	-156.8	-177.8	170.4	0	0	113.6
6	S	39.7	Very low	38	Very low	59 Å²	59	82.2 Å²	82.2	41%	0.413	40%	0.404	S	S	.	.	H	α-helix	trans	-70.9	-29.2	173.8	46.2	0	0	0	0	113.7	T4 K344	T4-S6 PolarHBondContact O-N 3.38Å; T4-S6 PolarHBondContact OG1-OG 3.07Å; T4-S6 VanDerWaalsContact OG1-OG 3.05Å; S6-K344 PolarHBondContact OG-NZ 3.27Å
7	D	44.8	Very low	37.6	Very low	51 Å²	51	90.1 Å²	90.1	27%	0.273	43%	0.428	S	S	.	.	H	α-helix	trans	-76.6	-34	-180	-52.6	-34.7	0	0	0	110.2	T4 R9 R10 Q11	T4-D7 WeakPolarHBondContact O-CB 3.47Å; T4-D7 PolarHBondContact O-N 3.3Å; T4-D7 VanDerWaalsContact OG1-CG 3.25Å; T4-D7 PolarHBondContact OG1-OD2 3.46Å; D7-R9 PolarHBondContact O-N 2.74Å; D7-R10 PolarHBondContact O-N 2.93Å; D7-Q11 PolarHBondContact O-N 3.4Å
8	L	39.2	Very low	37.3	Very low	37 Å²	37	89.9 Å²	89.9	19%	0.194	44%	0.438	C	S	.	.	H	α-helix	trans	-61.6	-41.9	177.5	-82.8	141.7	0	0	0	113.3	R10 L12 M162	L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 3.22Å; L8-L12 PolarHBondContact O-N 3.37Å; L8-L12 VanDerWaalsContact O-N 3.13Å; L8-M162 HydrophobicContact CD2-SD 4.3Å
9	R	32.5	Very low	36.9	Very low	185 Å²	185	94.4 Å²	94.4	70%	0.698	46%	0.458	S	S	*	.	H	α-helix	trans	-65.8	-33	176.9	-74.2	-171	178.4	-145.8	-0.2	112.2	D7 D13	D7-R9 PolarHBondContact O-N 2.74Å; R9-D13 WeakPolarHBondContact O-CB 3.46Å; R9-D13 PolarHBondContact O-N 3.02Å; R9-D13 VanDerWaalsContact O-N 3.08Å
10	R	39.3	Very low	36.4	Very low	171 Å²	171	93.8 Å²	93.8	65%	0.645	47%	0.469	S	S	*	.	H	α-helix	trans	-72.9	-40.8	-178.1	-148.6	176	-174.3	167.2	0.7	111.7	D7 L8 E14	D7-R10 PolarHBondContact O-N 2.93Å; L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 3.22Å; R10-E14 WeakPolarHBondContact O-CB 3.43Å; R10-E14 WeakPolarHBondContact O-CG 3.31Å; R10-E14 PolarHBondContact O-N 2.81Å; R10-E14 VanDerWaalsContact O-N 3.1Å
11	Q	37.5	Very low	35.8	Very low	69 Å²	69	96.5 Å²	96.5	32%	0.322	49%	0.485	S	S	.	.	H	α-helix	trans	-70.3	-39.5	176.6	-74.8	-177.5	-29.3	0	0	113.2	D7 E14 N15	D7-Q11 PolarHBondContact O-N 3.4Å; Q11-E14 PolarHBondContact O-N 2.73Å; Q11-N15 PolarHBondContact O-N 3.24Å
12	L	32.1	Very low	34.8	Very low	110 Å²	110	104.7 Å²	104.7	58%	0.576	52%	0.523	S	S	*	.	H	α-helix	trans	-65.6	-41	174.7	-93.3	143.8	0	0	0	112.2	L8 E14 N15 V16	L8-L12 PolarHBondContact O-N 3.37Å; L8-L12 VanDerWaalsContact O-N 3.13Å; L12-E14 VanDerWaalsContact C-N 3.33Å; L12-E14 PolarHBondContact O-N 3.39Å; L12-N15 PolarHBondContact O-N 3.48Å; L12-V16 VanDerWaalsContact O-CG2 3.29Å; L12-V16 WeakPolarHBondContact O-CG2 3.33Å; L12-V16 PolarHBondContact O-N 3.32Å
13	D	37.2	Very low	34.1	Very low	104 Å²	104	109 Å²	109	56%	0.556	56%	0.555	S	S	*	*	H	α-helix	trans	-69.6	-29.1	177.6	-79	-18.6	0	0	0	112.7	R9 R17	R9-D13 WeakPolarHBondContact O-CB 3.46Å; R9-D13 PolarHBondContact O-N 3.02Å; R9-D13 VanDerWaalsContact O-N 3.08Å; D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 VanDerWaalsContact O-CG 3.28Å; D13-R17 WeakPolarHBondContact O-CG 3.36Å; D13-R17 PolarHBondContact O-N 3.31Å
14	E	37.4	Very low	33.3	Very low	122 Å²	122	114.2 Å²	114.2	57%	0.57	59%	0.586	S	S	*	*	H	α-helix	trans	-76.9	-35.8	175.5	-77.4	178.6	-178.6	0	0	112.6	R10 Q11 L12 R17 S18	R10-E14 WeakPolarHBondContact O-CB 3.43Å; R10-E14 WeakPolarHBondContact O-CG 3.31Å; R10-E14 PolarHBondContact O-N 2.81Å; R10-E14 VanDerWaalsContact O-N 3.1Å; Q11-E14 PolarHBondContact O-N 2.73Å; L12-E14 VanDerWaalsContact C-N 3.33Å; L12-E14 PolarHBondContact O-N 3.39Å; E14-R17 PolarHBondContact O-N 3.09Å; E14-S18 PolarHBondContact O-N 3.42Å; E14-S18 PolarHBondContact O-OG 3.09Å
15	N	32.8	Very low	32.5	Very low	100 Å²	100	123.7 Å²	123.7	54%	0.535	63%	0.626	S	S	.	*	H	α-helix	trans	-72.8	-38.2	175.5	-75.6	-12.8	0	0	0	112.4	Q11 L12 R17 S18	Q11-N15 PolarHBondContact O-N 3.24Å; L12-N15 PolarHBondContact O-N 3.48Å; N15-R17 VanDerWaalsContact C-N 3.25Å; N15-R17 PolarHBondContact O-N 3.07Å; N15-S18 PolarHBondContact O-N 3.44Å; N15-S18 PolarHBondContact O-OG 2.92Å
16	V	34.7	Very low	31.9	Very low	107 Å²	107	126.3 Å²	126.3	65%	0.648	64%	0.638	S	S	*	*	H	α-helix	trans	-69.8	-24.4	176	175.1	0	0	0	0	112	L12	L12-V16 VanDerWaalsContact O-CG2 3.29Å; L12-V16 WeakPolarHBondContact O-CG2 3.33Å; L12-V16 PolarHBondContact O-N 3.32Å
17	R	32.3	Very low	31	Very low	217 Å²	217	132.8 Å²	132.8	82%	0.819	66%	0.662	S	S	*	*	H	α-helix	trans	-83.5	-12.8	176.3	-78.5	179.2	178.4	-163.5	1.3	114.5	D13 E14 N15	D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 VanDerWaalsContact O-CG 3.28Å; D13-R17 WeakPolarHBondContact O-CG 3.36Å; D13-R17 PolarHBondContact O-N 3.31Å; E14-R17 PolarHBondContact O-N 3.09Å; N15-R17 VanDerWaalsContact C-N 3.25Å; N15-R17 PolarHBondContact O-N 3.07Å
18	S	32.3	Very low	29.9	Very low	87 Å²	87	136.5 Å²	136.5	61%	0.608	69%	0.69	S	S	*	*	H	α-helix	trans	-101.8	-5.2	-177.6	49.5	0	0	0	0	114.8	E14 N15	E14-S18 PolarHBondContact O-N 3.42Å; E14-S18 PolarHBondContact O-OG 3.09Å; N15-S18 PolarHBondContact O-N 3.44Å; N15-S18 PolarHBondContact O-OG 2.92Å
19	E	29.2	Very low	29.1	Very low	174 Å²	174	139.8 Å²	139.8	81%	0.813	71%	0.714	S	S	*	*			trans	-108.5	15.3	-179.2	-70.3	-166.6	154.4	0	0	115.4	D21	E19-D21 PolarHBondContact O-N 2.96Å
20	A	26	Very low	28.6	Very low	83 Å²	83	141.8 Å²	141.8	69%	0.686	72%	0.723	S	S	*	*			trans	-93.8	63.6	169.9	0	0	0	0	0	111
21	D	24.3	Very low	27.9	Very low	151 Å²	151	141.3 Å²	141.3	81%	0.807	73%	0.732	S	S	*	*	S	Bend	trans	-161.6	120.3	154.8	-99.7	-23.7	0	0	0	114.1	E19	E19-D21 PolarHBondContact O-N 2.96Å
22	E	24.9	Very low	27.1	Very low	179 Å²	179	144.7 Å²	144.7	84%	0.836	75%	0.752	S	S	*	*			trans	45	119.4	151.7	-66.1	-172	153	0	0	123.8
23	S	23.8	Very low	26.6	Very low	106 Å²	106	143.5 Å²	143.5	74%	0.741	76%	0.758	S	S	*	*			trans	92.1	100	137.8	78.6	0	0	0	0	119.2
24	T	24.9	Very low	26	Very low	138 Å²	138	144.5 Å²	144.5	85%	0.847	77%	0.768	S	S	*	*				-178.8	120.1	101.3	26	0	0	0	0	109.8	E26	T24-E26 PolarHBondContact O-N 3.39Å
25	K	21.9	Very low	25.3	Very low	215 Å²	215	146.4 Å²	146.4	94%	0.935	78%	0.776	S	S	*	*			trans	-80.1	105	168.7	-74.2	176.9	174.6	178.2	0	107.6
26	E	23.7	Very low	24.8	Very low	188 Å²	188	145.1 Å²	145.1	88%	0.879	78%	0.775	S	S	*	*			trans	-118.9	114.1	158.3	-88.8	-172.5	162	0	0	109.2	T24 C28	T24-E26 PolarHBondContact O-N 3.39Å; E26-C28 PolarHBondContact O-N 2.99Å
27	E	21.3	Very low	24.6	Very low	195 Å²	195	148.2 Å²	148.2	91%	0.911	78%	0.782	S	S	*	*			trans	-66.3	113.2	173.9	-70.4	173.7	152.2	0	0	109.3
28	C	21	Very low	24.6	Very low	128 Å²	128	145.3 Å²	145.3	87%	0.865	78%	0.778	S	S	*	*			trans	-90.2	123	168.4	-131.8	0	0	0	0	109	E26	E26-C28 PolarHBondContact O-N 2.99Å
29	P	22.4	Very low	25.3	Very low	107 Å²	107	147.8 Å²	147.8	70%	0.695	78%	0.78	S	S	*	*			trans	-83	127.3	-172.6	31.4	-31.6	0	0	0	111.7	I31	P29-I31 PolarHBondContact O-N 2.84Å
30	Y	21.7	Very low	27.2	Very low	226 Å²	226	145.5 Å²	145.5	89%	0.886	77%	0.773	S	S	*	*			trans	24.1	86.1	148.9	-77.2	-92.2	0	0	0	117
31	I	24	Very low	29.4	Very low	161 Å²	161	145.1 Å²	145.1	83%	0.826	76%	0.762	S	S	*	*			trans	-93.6	116.4	146.9	-64.7	177.2	0	0	0	106.1	P29 A33	P29-I31 PolarHBondContact O-N 2.84Å; I31-A33 VanDerWaalsContact C-N 3.31Å; I31-A33 PolarHBondContact O-N 3.2Å
32	N	22	Very low	31.8	Very low	141 Å²	141	139 Å²	139	75%	0.754	73%	0.729	S	S	*	*			trans	-51.8	96.7	167.8	-79.9	-37	0	0	0	109.1	V34	N32-V34 PolarHBondContact O-N 2.8Å
33	A	21.8	Very low	34.5	Very low	85 Å²	85	134.7 Å²	134.7	70%	0.702	71%	0.708	S	S	*	*			trans	-64	90.7	156.7	0	0	0	0	0	106.2	I31 Q35	I31-A33 VanDerWaalsContact C-N 3.31Å; I31-A33 PolarHBondContact O-N 3.2Å; A33-Q35 PolarHBondContact O-N 2.83Å
34	V	23	Very low	37	Very low	125 Å²	125	129.6 Å²	129.6	76%	0.758	67%	0.673	S	S	*	*			trans	-56.9	96.6	148.4	177	0	0	0	0	103.9	N32 S36	N32-V34 PolarHBondContact O-N 2.8Å; V34-S36 PolarHBondContact O-N 3.34Å
35	Q	23	Very low	39.5	Very low	161 Å²	161	123.3 Å²	123.3	75%	0.752	64%	0.635	S	S	*	*			trans	-57.4	88.9	161.1	-79.4	177.3	-26.8	0	0	105.5	A33 H37	A33-Q35 PolarHBondContact O-N 2.83Å; Q35-H37 VanDerWaalsContact C-N 3.26Å; Q35-H37 PolarHBondContact O-N 3.48Å
36	S	22.7	Very low	42.3	Very low	73 Å²	73	113.1 Å²	113.1	51%	0.51	59%	0.59	S	S	.	*			trans	-58.1	104.5	154.6	49.9	0	0	0	0	104.6	V34 H38	V34-S36 PolarHBondContact O-N 3.34Å; S36-H38 PolarHBondContact O-N 2.6Å; S36-H38 PolarHBondContact OG-NE2 2.77Å
37	H	29.6	Very low	44.8	Very low	172 Å²	172	106.4 Å²	106.4	80%	0.796	56%	0.56	S	S	*	*			trans	-57.5	80.8	159.3	-78.3	-63.7	0	0	0	107	Q35 Q39	Q35-H37 VanDerWaalsContact C-N 3.26Å; Q35-H37 PolarHBondContact O-N 3.48Å; H37-Q39 PolarHBondContact O-N 3.14Å
38	H	34.1	Very low	47.5	Very low	157 Å²	157	97.1 Å²	97.1	73%	0.727	52%	0.517	S	S	*	.			trans	-60.9	101.6	156.2	-74.5	-60.2	0	0	0	104	S36 N40	S36-H38 PolarHBondContact O-N 2.6Å; S36-H38 PolarHBondContact OG-NE2 2.77Å; H38-N40 PolarHBondContact O-N 2.9Å
39	Q	46.9	Very low	50.1	Low	139 Å²	139	92.4 Å²	92.4	65%	0.65	49%	0.485	S	S	*	.			trans	-50.5	111.5	166.3	-77.9	179.7	-35.9	0	0	105.7	H37 V41	H37-Q39 PolarHBondContact O-N 3.14Å; Q39-V41 PolarHBondContact O-N 2.97Å
40	N	67.7	Low	52.5	Low	126 Å²	126	87.5 Å²	87.5	67%	0.674	45%	0.453	S	S	*	.			trans	-56.8	107.4	177.3	-123.4	-5.9	0	0	0	106.1	H38 C105	H38-N40 PolarHBondContact O-N 2.9Å; N40-C105 HydrophobicContact CB-CB 4.37Å; N40-C105 WeakPolarHBondContact O-CB 3.38Å; N40-C105 PolarHBondContact O-N 3.46Å; N40-C105 PolarHBondContact O-SG 3.49Å
41	V	72	Confident	54.7	Low	75 Å²	75	80.4 Å²	80.4	46%	0.455	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.5	180	-87.9	0	0	0	0	108.3	Q39 V103 P104	Q39-V41 PolarHBondContact O-N 2.97Å; V41-V103 WeakPolarHBondContact CA-O 3.31Å; V41-P104 HydrophobicContact CG1-CG 4.32Å
42	Q	76.1	Confident	56.7	Low	23 Å²	23	79.3 Å²	79.3	11%	0.107	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.3	-179.5	-178.8	177.3	2.8	0	0	109.4	V103 N126	Q42-V103 PolarHBondContact N-O 3.33Å; Q42-V103 PolarHBondContact O-N 3.33Å; Q42-N126 PolarHBondContact NE2-O 3.06Å
43	E	81	Confident	59	Low	87 Å²	87	73.7 Å²	73.7	41%	0.407	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	131	168.4	-73.5	-173.1	-176.4	0	0	110.8	L72 V101 E102	E43-L72 HydrophobicContact CG-CD1 3.88Å; E43-V101 CarbonylContact C-O 3.53Å; E43-V101 VanDerWaalsContact CA-O 3.28Å; E43-V101 WeakPolarHBondContact CA-O 3.42Å; E43-E102 HydrophobicContact CG-CG 3.78Å
44	M	76.1	Confident	61.3	Low	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.3	177.4	-106.3	-174.2	-74.7	0	0	111	I46 H100 V101 V103 V108 L112 I123 Q125	M44-I46 HydrophobicContact CB-CG1 4.49Å; M44-H100 CarbonylContact O-C 3.52Å; M44-H100 WeakPolarHBondContact O-CA 3.46Å; M44-V101 HydrophobicContact CB-CG2 3.96Å; M44-V101 PolarHBondContact N-O 3.05Å; M44-V101 WeakPolarHBondContact O-CG2 3.32Å; M44-V101 PolarHBondContact O-N 3.13Å; M44-V103 HydrophobicContact CE-CB 3.83Å; M44-V103 HydrophobicContact CE-CG1 4.19Å; M44-V103 HydrophobicContact CE-CG2 3.72Å; M44-V108 HydrophobicContact CE-CB 4.12Å; M44-V108 HydrophobicContact CE-CG1 3.66Å; M44-V108 HydrophobicContact CE-CG2 3.66Å; M44-V108 HydrophobicContact SD-CG1 4.42Å; M44-L112 HydrophobicContact SD-CD2 4.26Å; M44-I123 HydrophobicContact SD-CG2 4.36Å; M44-Q125 HydrophobicContact SD-CG 4.49Å
45	S	78.2	Confident	63.6	Low	6 Å²	6	74.7 Å²	74.7	4%	0.042	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.3	164.8	-85.3	0	0	0	0	109.6	V99 H100 V124	S45-V99 CarbonylContact C-O 3.58Å; S45-V99 WeakPolarHBondContact CA-O 3.39Å; S45-H100 PolarHBondContact OG-CD2 3.21Å; S45-H100 PolarHBondContact OG-CE1 3.39Å; S45-H100 PolarHBondContact OG-ND1 3.04Å; S45-H100 VanDerWaalsContact OG-ND1 3.13Å; S45-H100 PolarHBondContact OG-NE2 2.92Å; S45-V124 PolarHBondContact N-O 3.34Å; S45-V124 CarbonylContact O-C 3.54Å; S45-V124 WeakPolarHBondContact O-CA 3.03Å; S45-V124 WeakPolarHBondContact O-CB 3.28Å; S45-V124 PolarHBondContact O-N 2.68Å
46	I	79.1	Confident	66.1	Low	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.3	-176.4	-47.8	178.5	0	0	0	107.8	M44 I48 F64 L98 V99 V101 L111 L115	M44-I46 HydrophobicContact CB-CG1 4.49Å; I46-I48 HydrophobicContact CG2-CD1 3.88Å; I46-I48 HydrophobicContact CG2-CG1 3.63Å; I46-F64 HydrophobicContact CD1-CE1 4.07Å; I46-F64 HydrophobicContact CD1-CZ 4.14Å; I46-L98 CarbonylContact O-C 3.38Å; I46-L98 WeakPolarHBondContact O-CA 3.43Å; I46-V99 PolarHBondContact N-O 3.11Å; I46-V99 PolarHBondContact O-N 3.43Å; I46-V101 HydrophobicContact CD1-CG2 3.72Å; I46-V101 HydrophobicContact CG1-CG2 4.23Å; I46-L111 HydrophobicContact CD1-CD2 4.07Å; I46-L115 HydrophobicContact CD1-CD1 3.84Å; I46-L115 HydrophobicContact CG2-CD1 3.95Å
47	I	77.9	Confident	68.7	Low	47 Å²	47	67.3 Å²	67.3	24%	0.241	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.4	172.3	-61	175.1	0	0	0	108.5	L97 L98 R122 V124	I47-L97 CarbonylContact C-O 3.56Å; I47-L97 WeakPolarHBondContact CA-O 3.23Å; I47-L98 HydrophobicContact CD1-CD1 4.37Å; I47-L98 HydrophobicContact CG1-CD1 3.7Å; I47-R122 PolarHBondContact N-O 3.09Å; I47-R122 PolarHBondContact O-N 3.44Å; I47-R122 VanDerWaalsContact O-O 3.08Å; I47-V124 HydrophobicContact CD1-CG2 3.92Å; I47-V124 HydrophobicContact CG1-CG2 4.14Å
48	I	77.3	Confident	71.1	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.7	-176.3	-48.1	171	0	0	0	109.1	I46 L50 I60 L97 V99 L115 F118	I46-I48 HydrophobicContact CG2-CD1 3.88Å; I46-I48 HydrophobicContact CG2-CG1 3.63Å; I48-L50 HydrophobicContact CG2-CD2 4.33Å; I48-I60 HydrophobicContact CB-CD1 4.19Å; I48-I60 HydrophobicContact CD1-CD1 3.74Å; I48-I60 HydrophobicContact CD1-CG1 4.1Å; I48-I60 HydrophobicContact CD1-CG2 3.95Å; I48-I60 HydrophobicContact CG2-CD1 3.67Å; I48-L97 PolarHBondContact N-O 3.25Å; I48-L97 PolarHBondContact O-N 3.12Å; I48-V99 HydrophobicContact CD1-CG2 4.45Å; I48-L115 HydrophobicContact CD1-CD2 4.01Å; I48-F118 HydrophobicContact CG2-CB 4.4Å
49	S	76.4	Confident	73.4	Confident	30 Å²	30	61.4 Å²	61.4	21%	0.21	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.8	171.3	-53.3	0	0	0	0	110.1	L95 S120	S49-L95 CarbonylContact C-O 3.55Å; S49-L95 WeakPolarHBondContact CA-O 3.39Å; S49-S120 PolarHBondContact N-O 3.29Å
50	L	72.5	Confident	75.1	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.8	175.6	-52.3	179.9	0	0	0	110.3	I48 D56 M57 I60 L95 L97	I48-L50 HydrophobicContact CG2-CD2 4.33Å; L50-D56 HydrophobicContact CB-CB 4.21Å; L50-D56 HydrophobicContact CD2-CB 3.47Å; L50-D56 VanDerWaalsContact CD2-CB 3.47Å; L50-D56 HydrophobicContact CG-CB 4.33Å; L50-M57 HydrophobicContact CD1-CB 4.13Å; L50-I60 HydrophobicContact CD2-CD1 3.41Å; L50-I60 VanDerWaalsContact CD2-CD1 3.41Å; L50-L95 HydrophobicContact CB-CB 4.29Å; L50-L95 HydrophobicContact CD1-CB 4.29Å; L50-L95 PolarHBondContact N-O 3.37Å; L50-L95 PolarHBondContact O-N 2.88Å; L50-L97 HydrophobicContact CD1-CD1 3.36Å; L50-L97 HydrophobicContact CD1-CG 4.01Å; L50-L97 HydrophobicContact CD2-CD1 3.88Å; L50-L97 HydrophobicContact CG-CD1 3.83Å; L50-L97 HydrophobicContact CG-CG 4.42Å
51	V	67.3	Low	75.9	Confident	77 Å²	77	52.3 Å²	52.3	47%	0.467	27%	0.27	S	S	.	.	S	Bend	trans	-104.4	-33.1	179	-179.6	0	0	0	0	110.7	D56 S119	V51-D56 PolarHBondContact N-OD2 2.96Å; V51-S119 WeakPolarHBondContact CG2-OG 3.3Å
52	K	66.5	Low	76.5	Confident	138 Å²	138	51.4 Å²	51.4	60%	0.6	27%	0.267	S	S	*	.	S	Bend	trans	-107.6	19.7	175.8	-57.8	-179.4	-179.2	176.2	0	112.6	M54 N55 D56	K52-M54 PolarHBondContact O-N 3.42Å; K52-N55 HydrophobicContact CB-CB 4.29Å; K52-N55 PolarHBondContact O-N 3.43Å; K52-D56 PolarHBondContact N-OD2 3.45Å
53	N	70.4	Confident	77	Confident	23 Å²	23	51 Å²	51	12%	0.123	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	41.7	-96.8	179.7	-67.2	-10.9	0	0	0	113.5	N55 D56 M57 E93 L95	N53-N55 PolarHBondContact O-N 3.47Å; N53-D56 PolarHBondContact O-N 3.14Å; N53-M57 PolarHBondContact O-N 3.08Å; N53-E93 PolarHBondContact ND2-O 3.17Å; N53-E93 PolarHBondContact OD1-O 3.01Å; N53-L95 HydrophobicContact CB-CD1 4.43Å
54	M	68.5	Low	77.4	Confident	125 Å²	125	46.8 Å²	46.8	62%	0.616	25%	0.246	S	C	*	.	H	α-helix	trans	-63	-34.3	-172.9	-72.2	-61	-61.1	0	0	114.6	K52 K58	K52-M54 PolarHBondContact O-N 3.42Å; M54-K58 PolarHBondContact O-N 2.95Å
55	N	72.3	Confident	77.8	Confident	106 Å²	106	51 Å²	51	57%	0.567	27%	0.272	S	S	*	.	H	α-helix	trans	-73.2	-41.4	179.7	-76.5	-20.7	0	0	0	111.3	K52 N53 M57 K58 S59	K52-N55 HydrophobicContact CB-CB 4.29Å; K52-N55 PolarHBondContact O-N 3.43Å; N53-N55 PolarHBondContact O-N 3.47Å; N55-M57 VanDerWaalsContact C-N 3.31Å; N55-M57 PolarHBondContact O-N 2.95Å; N55-K58 PolarHBondContact O-N 3.43Å; N55-S59 PolarHBondContact O-N 2.84Å; N55-S59 PolarHBondContact O-OG 2.89Å; N55-S59 VanDerWaalsContact O-OG 3.13Å
56	D	74.6	Confident	78.2	Confident	22 Å²	22	56.8 Å²	56.8	12%	0.118	30%	0.302	C	S	.	.	H	α-helix	trans	-66.1	-38.3	177.5	-62.9	-15.8	0	0	0	110.6	L50 V51 K52 N53 S59 I60 F118	L50-D56 HydrophobicContact CB-CB 4.21Å; L50-D56 HydrophobicContact CD2-CB 3.47Å; L50-D56 VanDerWaalsContact CD2-CB 3.47Å; L50-D56 HydrophobicContact CG-CB 4.33Å; V51-D56 PolarHBondContact N-OD2 2.96Å; K52-D56 PolarHBondContact N-OD2 3.45Å; N53-D56 PolarHBondContact O-N 3.14Å; D56-S59 PolarHBondContact O-N 2.92Å; D56-I60 WeakPolarHBondContact O-CG1 3.5Å; D56-I60 PolarHBondContact O-N 3.47Å; D56-F118 HydrophobicContact CB-CE1 4.45Å
57	M	77.9	Confident	78.5	Confident	57 Å²	57	59.8 Å²	59.8	28%	0.281	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-42.5	177.3	-166.7	170.6	-168.2	0	0	112.6	L50 N53 N55 S59 I60 I61 I74 L97	L50-M57 HydrophobicContact CD1-CB 4.13Å; N53-M57 PolarHBondContact O-N 3.08Å; N55-M57 VanDerWaalsContact C-N 3.31Å; N55-M57 PolarHBondContact O-N 2.95Å; M57-S59 VanDerWaalsContact C-N 3.33Å; M57-S59 PolarHBondContact O-N 3.11Å; M57-I60 PolarHBondContact O-N 3.26Å; M57-I61 HydrophobicContact CG-CD1 4.39Å; M57-I61 WeakPolarHBondContact O-CG1 3.35Å; M57-I61 PolarHBondContact O-N 2.73Å; M57-I74 HydrophobicContact CE-CG2 4.35Å; M57-L97 HydrophobicContact CE-CD1 4.49Å; M57-L97 HydrophobicContact CE-CD2 4.06Å; M57-L97 HydrophobicContact CG-CD1 4.17Å
58	K	80.6	Confident	78.8	Confident	146 Å²	146	64.4 Å²	64.4	64%	0.635	34%	0.339	S	S	*	.	H	α-helix	trans	-60.8	-43.2	174.4	-78.8	-175.8	178	-177.8	0	111.8	M54 N55 I61 S62	M54-K58 PolarHBondContact O-N 2.95Å; N55-K58 PolarHBondContact O-N 3.43Å; K58-I61 PolarHBondContact O-N 3.42Å; K58-S62 PolarHBondContact O-N 2.93Å
59	S	82.7	Confident	79.3	Confident	58 Å²	58	64.9 Å²	64.9	41%	0.406	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-43.8	177.7	-58.4	0	0	0	0	111.9	N55 D56 M57 S62 I63	N55-S59 PolarHBondContact O-N 2.84Å; N55-S59 PolarHBondContact O-OG 2.89Å; N55-S59 VanDerWaalsContact O-OG 3.13Å; D56-S59 PolarHBondContact O-N 2.92Å; M57-S59 VanDerWaalsContact C-N 3.33Å; M57-S59 PolarHBondContact O-N 3.11Å; S59-S62 WeakPolarHBondContact O-CB 3.44Å; S59-S62 PolarHBondContact O-N 3.47Å; S59-I63 VanDerWaalsContact O-CG1 3.29Å; S59-I63 WeakPolarHBondContact O-CG1 3.48Å; S59-I63 PolarHBondContact O-N 3.14Å
60	I	82.5	Confident	79.8	Confident	3 Å²	3	67.6 Å²	67.6	2%	0.015	35%	0.354	C	S	.	.	H	α-helix	trans	-63.3	-45.5	178.1	-70.4	162.4	0	0	0	111.5	I48 L50 D56 M57 S62 I63 F64 L97 F118	I48-I60 HydrophobicContact CB-CD1 4.19Å; I48-I60 HydrophobicContact CD1-CD1 3.74Å; I48-I60 HydrophobicContact CD1-CG1 4.1Å; I48-I60 HydrophobicContact CD1-CG2 3.95Å; I48-I60 HydrophobicContact CG2-CD1 3.67Å; L50-I60 HydrophobicContact CD2-CD1 3.41Å; L50-I60 VanDerWaalsContact CD2-CD1 3.41Å; D56-I60 WeakPolarHBondContact O-CG1 3.5Å; D56-I60 PolarHBondContact O-N 3.47Å; M57-I60 PolarHBondContact O-N 3.26Å; I60-S62 VanDerWaalsContact C-N 3.31Å; I60-S62 PolarHBondContact O-N 3.22Å; I60-I63 PolarHBondContact O-N 3.47Å; I60-F64 HydrophobicContact CG2-CD2 3.86Å; I60-F64 HydrophobicContact CG2-CE2 3.23Å; I60-F64 HydrophobicContact CG2-CZ 3.79Å; I60-F64 WeakPolarHBondContact O-CD2 3.26Å; I60-F64 PolarHBondContact O-N 3.14Å; I60-F64 VanDerWaalsContact O-N 3.13Å; I60-L97 HydrophobicContact CD1-CD1 4.39Å; I60-F118 HydrophobicContact CD1-CD1 4.49Å; I60-F118 HydrophobicContact CD1-CE1 4.24Å; I60-F118 HydrophobicContact CG1-CD1 4.41Å; I60-F118 HydrophobicContact CG1-CE1 3.78Å; I60-F118 HydrophobicContact CG1-CE2 4.23Å; I60-F118 HydrophobicContact CG1-CZ 3.68Å
61	I	83.1	Confident	80.4	Confident	71 Å²	71	70 Å²	70	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-64	-38.7	178.1	-68	-179.7	0	0	0	110.8	M57 K58 F64 T65	M57-I61 HydrophobicContact CG-CD1 4.39Å; M57-I61 WeakPolarHBondContact O-CG1 3.35Å; M57-I61 PolarHBondContact O-N 2.73Å; K58-I61 PolarHBondContact O-N 3.42Å; I61-F64 PolarHBondContact O-N 3.41Å; I61-T65 WeakPolarHBondContact O-CB 3.49Å; I61-T65 PolarHBondContact O-N 2.79Å; I61-T65 PolarHBondContact O-OG1 2.96Å
62	S	85.4	Confident	81.1	Confident	56 Å²	56	70 Å²	70	39%	0.392	36%	0.362	S	S	.	.	H	α-helix	trans	-59.6	-48.9	173.8	-159.6	0	0	0	0	111.1	K58 S59 I60 F64 T65 D66	K58-S62 PolarHBondContact O-N 2.93Å; S59-S62 WeakPolarHBondContact O-CB 3.44Å; S59-S62 PolarHBondContact O-N 3.47Å; I60-S62 VanDerWaalsContact C-N 3.31Å; I60-S62 PolarHBondContact O-N 3.22Å; S62-F64 VanDerWaalsContact C-N 3.3Å; S62-F64 PolarHBondContact O-N 3.2Å; S62-T65 PolarHBondContact O-N 2.8Å; S62-T65 VanDerWaalsContact O-N 3.08Å; S62-D66 WeakPolarHBondContact O-CB 3.47Å; S62-D66 PolarHBondContact O-N 3.4Å; S62-D66 VanDerWaalsContact O-OD2 3.09Å; S62-D66 PolarHBondContact OG-OD2 3.44Å
63	I	87.4	Confident	81.7	Confident	14 Å²	14	67.8 Å²	67.8	7%	0.072	35%	0.354	C	S	.	.	H	α-helix	trans	-55	-45.5	179.5	-70	163.1	0	0	0	111.6	S59 I60 R67 L111 E114 F118	S59-I63 VanDerWaalsContact O-CG1 3.29Å; S59-I63 WeakPolarHBondContact O-CG1 3.48Å; S59-I63 PolarHBondContact O-N 3.14Å; I60-I63 PolarHBondContact O-N 3.47Å; I63-R67 WeakPolarHBondContact O-CB 3.27Å; I63-R67 WeakPolarHBondContact O-CG 3.26Å; I63-R67 PolarHBondContact O-N 3.4Å; I63-L111 HydrophobicContact CG2-CD1 3.78Å; I63-E114 HydrophobicContact CD1-CG 4.08Å; I63-E114 HydrophobicContact CG1-CG 4.36Å; I63-F118 HydrophobicContact CD1-CE2 3.49Å; I63-F118 VanDerWaalsContact CD1-CE2 3.49Å; I63-F118 HydrophobicContact CD1-CZ 3.71Å
64	F	88	Confident	82.3	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-67.6	-41.6	178.4	-61.7	-39.9	0	0	0	112.1	I46 I60 I61 S62 R67 N68 I69 I71 V99 V101 L111	I46-F64 HydrophobicContact CD1-CE1 4.07Å; I46-F64 HydrophobicContact CD1-CZ 4.14Å; I60-F64 HydrophobicContact CG2-CD2 3.86Å; I60-F64 HydrophobicContact CG2-CE2 3.23Å; I60-F64 HydrophobicContact CG2-CZ 3.79Å; I60-F64 WeakPolarHBondContact O-CD2 3.26Å; I60-F64 PolarHBondContact O-N 3.14Å; I60-F64 VanDerWaalsContact O-N 3.13Å; I61-F64 PolarHBondContact O-N 3.41Å; S62-F64 VanDerWaalsContact C-N 3.3Å; S62-F64 PolarHBondContact O-N 3.2Å; F64-R67 PolarHBondContact O-N 2.88Å; F64-N68 PolarHBondContact O-N 3.28Å; F64-I69 HydrophobicContact CB-CB 4.13Å; F64-I69 HydrophobicContact CB-CG2 4.32Å; F64-I69 HydrophobicContact CD1-CB 4.26Å; F64-I69 HydrophobicContact CD1-CD1 4Å; F64-I69 HydrophobicContact CD1-CG2 3.93Å; F64-I69 HydrophobicContact CG-CG2 4.35Å; F64-I69 PolarHBondContact O-N 2.82Å; F64-I71 HydrophobicContact CB-CD1 3.94Å; F64-I71 HydrophobicContact CB-CG1 4.07Å; F64-I71 HydrophobicContact CD2-CD1 3.62Å; F64-I71 HydrophobicContact CD2-CG1 3.94Å; F64-I71 HydrophobicContact CG-CD1 4.19Å; F64-I71 HydrophobicContact CG-CG1 4.24Å; F64-V99 HydrophobicContact CD2-CG1 4.38Å; F64-V99 HydrophobicContact CE2-CB 4.32Å; F64-V99 HydrophobicContact CE2-CG1 3.52Å; F64-V99 HydrophobicContact CE2-CG2 4.38Å; F64-V99 HydrophobicContact CZ-CB 4.45Å; F64-V99 HydrophobicContact CZ-CG1 3.94Å; F64-V101 HydrophobicContact CD1-CG1 4.42Å; F64-V101 HydrophobicContact CE1-CG1 4.22Å; F64-V101 HydrophobicContact CE2-CG1 4.34Å; F64-V101 HydrophobicContact CZ-CG1 4.19Å; F64-L111 HydrophobicContact CD1-CD1 4.03Å; F64-L111 HydrophobicContact CE1-CD1 3.85Å; F64-L111 HydrophobicContact CE1-CD2 4.39Å
65	T	85	Confident	82.9	Confident	88 Å²	88	66.2 Å²	66.2	54%	0.54	35%	0.346	S	S	.	.	H	α-helix	trans	-66	-47.2	-179.4	-51	0	0	0	0	111.5	I61 S62 R67 N68	I61-T65 WeakPolarHBondContact O-CB 3.49Å; I61-T65 PolarHBondContact O-N 2.79Å; I61-T65 PolarHBondContact O-OG1 2.96Å; S62-T65 PolarHBondContact O-N 2.8Å; S62-T65 VanDerWaalsContact O-N 3.08Å; T65-R67 PolarHBondContact O-N 3.09Å; T65-N68 PolarHBondContact O-N 3.29Å; T65-N68 VanDerWaalsContact O-N 3.16Å
66	D	87.3	Confident	83.3	Confident	127 Å²	127	64 Å²	64	68%	0.679	34%	0.339	S	S	*	.	H	α-helix	trans	-64.2	-23.6	-177.8	-65.5	-31.2	0	0	0	112.2	S62	S62-D66 WeakPolarHBondContact O-CB 3.47Å; S62-D66 PolarHBondContact O-N 3.4Å; S62-D66 VanDerWaalsContact O-OD2 3.09Å; S62-D66 PolarHBondContact OG-OD2 3.44Å
67	R	84.4	Confident	83.3	Confident	63 Å²	63	69.7 Å²	69.7	24%	0.238	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	8.1	-180	-66.2	-178.5	177.9	-79.4	-4.1	114.3	I63 F64 T65 I69 E107 E114	I63-R67 WeakPolarHBondContact O-CB 3.27Å; I63-R67 WeakPolarHBondContact O-CG 3.26Å; I63-R67 PolarHBondContact O-N 3.4Å; F64-R67 PolarHBondContact O-N 2.88Å; T65-R67 PolarHBondContact O-N 3.09Å; R67-I69 HydrophobicContact CB-CD1 3.73Å; R67-I69 HydrophobicContact CB-CG1 3.93Å; R67-I69 PolarHBondContact O-N 3.37Å; R67-E107 IonicContact CZ-OE2 2.64Å; R67-E107 IonicContact NH1-OE2 3.11Å; R67-E107 PolarHBondContact NH1-OE2 3.26Å; R67-E114 IonicContact CZ-OE2 2.82Å; R67-E114 IonicContact NE-OE2 2.75Å; R67-E114 PolarHBondContact NE-OE2 2.79Å; R67-E114 IonicContact NH2-OE2 3.88Å; R67-E114 PolarHBondContact NH2-OE2 2.78Å
68	N	85.3	Confident	83.1	Confident	145 Å²	145	72.3 Å²	72.3	78%	0.775	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	36	-174	-85.8	-14.6	0	0	0	113	F64 T65	F64-N68 PolarHBondContact O-N 3.28Å; T65-N68 PolarHBondContact O-N 3.29Å; T65-N68 VanDerWaalsContact O-N 3.16Å
69	I	88.1	Confident	82.3	Confident	10 Å²	10	65.9 Å²	65.9	5%	0.051	35%	0.348	C	S	.	.			trans	-84	122.8	174.2	-68	165.3	0	0	0	107.9	F64 R67 V101 V103 L111	F64-I69 HydrophobicContact CB-CB 4.13Å; F64-I69 HydrophobicContact CB-CG2 4.32Å; F64-I69 HydrophobicContact CD1-CB 4.26Å; F64-I69 HydrophobicContact CD1-CD1 4Å; F64-I69 HydrophobicContact CD1-CG2 3.93Å; F64-I69 HydrophobicContact CG-CG2 4.35Å; F64-I69 PolarHBondContact O-N 2.82Å; R67-I69 HydrophobicContact CB-CD1 3.73Å; R67-I69 HydrophobicContact CB-CG1 3.93Å; R67-I69 PolarHBondContact O-N 3.37Å; I69-V101 HydrophobicContact CG2-CB 3.59Å; I69-V101 HydrophobicContact CG2-CG1 3.84Å; I69-V101 HydrophobicContact CG2-CG2 4.24Å; I69-V103 HydrophobicContact CD1-CG1 4.31Å; I69-V103 HydrophobicContact CD1-CG2 4.43Å; I69-V103 HydrophobicContact CG1-CG1 4.21Å; I69-V103 HydrophobicContact CG1-CG2 4.32Å; I69-V103 HydrophobicContact CG2-CG2 3.87Å; I69-L111 HydrophobicContact CD1-CB 4.26Å; I69-L111 HydrophobicContact CD1-CD1 3.62Å; I69-L111 HydrophobicContact CD1-CD2 3.66Å; I69-L111 HydrophobicContact CD1-CG 4.02Å
70	N	85.2	Confident	81.1	Confident	87 Å²	87	73.7 Å²	73.7	47%	0.465	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.8	-179.7	-176	33.4	0	0	0	109.5	V101 E102	N70-V101 CarbonylContact O-C 3.53Å; N70-V101 WeakPolarHBondContact O-CA 3.42Å; N70-E102 HydrophobicContact CB-CB 4.16Å; N70-E102 PolarHBondContact N-O 2.98Å; N70-E102 VanDerWaalsContact N-O 3.08Å; N70-E102 PolarHBondContact ND2-OE2 3.29Å; N70-E102 PolarHBondContact O-N 3.1Å
71	I	86.7	Confident	79.5	Confident	53 Å²	53	79.7 Å²	79.7	27%	0.272	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	111	179.7	-57.3	172.7	0	0	0	108.2	F64 I74 V99 V101	F64-I71 HydrophobicContact CB-CD1 3.94Å; F64-I71 HydrophobicContact CB-CG1 4.07Å; F64-I71 HydrophobicContact CD2-CD1 3.62Å; F64-I71 HydrophobicContact CD2-CG1 3.94Å; F64-I71 HydrophobicContact CG-CD1 4.19Å; F64-I71 HydrophobicContact CG-CG1 4.24Å; I71-I74 HydrophobicContact CD1-CD1 4.19Å; I71-I74 HydrophobicContact CG2-CD1 3.65Å; I71-I74 HydrophobicContact CG2-CG1 3.58Å; I71-V99 HydrophobicContact CG2-CG1 4.15Å; I71-V101 HydrophobicContact CG1-CG1 4.16Å
72	L	81.4	Confident	77.5	Confident	77 Å²	77	80.5 Å²	80.5	40%	0.403	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-38.4	179.1	-61.4	-179.6	0	0	0	112.1	E43 H100 E102	E43-L72 HydrophobicContact CG-CD1 3.88Å; L72-H100 HydrophobicContact CB-CB 4.29Å; L72-H100 PolarHBondContact N-O 3.48Å; L72-E102 HydrophobicContact CD1-CG 3.9Å; L72-E102 HydrophobicContact CD2-CG 4.19Å; L72-E102 HydrophobicContact CG-CG 4.17Å
73	H	78.7	Confident	75.5	Confident	92 Å²	92	83.2 Å²	83.2	43%	0.426	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	142.8	-178.1	178.9	69.8	0	0	0	112	V99 H100	H73-V99 CarbonylContact O-C 3.5Å; H73-V99 WeakPolarHBondContact O-CA 3.38Å; H73-H100 HydrophobicContact CB-CB 3.97Å; H73-H100 PolarHBondContact N-O 2.83Å; H73-H100 VanDerWaalsContact N-O 3.14Å; H73-H100 PolarHBondContact O-N 2.7Å
74	I	83	Confident	73.4	Confident	60 Å²	60	92.2 Å²	92.2	31%	0.308	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.6	170.6	-72.4	175.2	0	0	0	109	M57 I71 L97 L98 V99	M57-I74 HydrophobicContact CE-CG2 4.35Å; I71-I74 HydrophobicContact CD1-CD1 4.19Å; I71-I74 HydrophobicContact CG2-CD1 3.65Å; I71-I74 HydrophobicContact CG2-CG1 3.58Å; I74-L97 HydrophobicContact CG2-CD2 3.47Å; I74-L97 VanDerWaalsContact CG2-CD2 3.47Å; I74-L98 WeakPolarHBondContact CA-O 3.31Å; I74-V99 HydrophobicContact CD1-CG1 4.29Å; I74-V99 HydrophobicContact CG1-CB 4.37Å; I74-V99 HydrophobicContact CG1-CG1 3.77Å; I74-V99 HydrophobicContact CG1-CG2 4.23Å
75	E	81.3	Confident	71.3	Confident	56 Å²	56	101 Å²	101	26%	0.262	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.9	171.8	143.1	168.5	164.7	0	0	109.2	R77 L97 L98	E75-R77 VanDerWaalsContact CD-NE 3.28Å; E75-R77 HydrophobicContact CG-CG 4.13Å; E75-R77 WeakPolarHBondContact OE1-CG 3.32Å; E75-R77 IonicContact OE1-CZ 3.21Å; E75-R77 IonicContact OE1-NE 3.43Å; E75-R77 PolarHBondContact OE1-NE 2.93Å; E75-R77 IonicContact OE1-NH2 3.95Å; E75-R77 PolarHBondContact OE1-NH2 3.24Å; E75-R77 IonicContact OE2-CZ 2.71Å; E75-R77 IonicContact OE2-NE 2.79Å; E75-R77 IonicContact OE2-NH2 2.94Å; E75-R77 PolarHBondContact OE2-NH2 3.34Å; E75-L97 CarbonylContact O-C 3.09Å; E75-L97 WeakPolarHBondContact O-CA 3.29Å; E75-L98 HydrophobicContact CB-CB 4.22Å; E75-L98 HydrophobicContact CG-CB 4.12Å; E75-L98 PolarHBondContact N-O 3.33Å; E75-L98 PolarHBondContact O-N 3.26Å
76	S	80.7	Confident	69.4	Low	59 Å²	59	102.7 Å²	102.7	41%	0.413	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	139.3	171.9	69.9	0	0	0	0	111.8	E96	S76-E96 CarbonylContact C-O 3.47Å; S76-E96 WeakPolarHBondContact CA-O 3.46Å
77	R	75.6	Confident	67	Low	141 Å²	141	102.1 Å²	102.1	53%	0.532	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	156.3	177.1	-58.9	-66.8	172.4	-123	5.7	110.7	E75 G79 E96	E75-R77 VanDerWaalsContact CD-NE 3.28Å; E75-R77 HydrophobicContact CG-CG 4.13Å; E75-R77 WeakPolarHBondContact OE1-CG 3.32Å; E75-R77 IonicContact OE1-CZ 3.21Å; E75-R77 IonicContact OE1-NE 3.43Å; E75-R77 PolarHBondContact OE1-NE 2.93Å; E75-R77 IonicContact OE1-NH2 3.95Å; E75-R77 PolarHBondContact OE1-NH2 3.24Å; E75-R77 IonicContact OE2-CZ 2.71Å; E75-R77 IonicContact OE2-NE 2.79Å; E75-R77 IonicContact OE2-NH2 2.94Å; E75-R77 PolarHBondContact OE2-NH2 3.34Å; R77-G79 PolarHBondContact O-N 3.42Å; R77-E96 PolarHBondContact N-O 3Å; R77-E96 PolarHBondContact O-N 2.95Å
78	L	72.9	Confident	65.3	Low	113 Å²	113	108 Å²	108	59%	0.592	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.8	169.6	-73.9	166	0	0	0	109.7	R80 E93	L78-R80 PolarHBondContact O-N 3.27Å; L78-E93 HydrophobicContact CD2-CB 4.19Å; L78-E93 WeakPolarHBondContact CD2-OE2 3.3Å
79	G	63.9	Low	63.5	Low	11 Å²	11	111 Å²	111	11%	0.113	53%	0.529	C	S	.	.			trans	-67.5	123.2	-177.6	0	0	0	0	0	112	R77 P94	R77-G79 PolarHBondContact O-N 3.42Å; G79-P94 PolarHBondContact N-O 3.28Å
80	R	57.8	Low	61.8	Low	221 Å²	221	113.5 Å²	113.5	83%	0.834	55%	0.548	S	S	*	.			trans	-82.7	-11.4	-175.4	-68.5	-174.4	-179.1	-176.2	1.1	114.3	L78	L78-R80 PolarHBondContact O-N 3.27Å
81	L	47.4	Very low	60.4	Low	129 Å²	129	117.8 Å²	117.8	68%	0.675	57%	0.565	S	S	*	*	S	Bend	trans	-103	86.6	-177.9	-82.3	143.9	0	0	0	109.5
82	N	43	Very low	58.9	Low	89 Å²	89	120.8 Å²	120.8	48%	0.476	58%	0.576	S	S	.	*			trans	152.5	14.6	151.2	-76.8	-24.5	0	0	0	116	K84 K85	N82-K84 PolarHBondContact O-N 3.29Å; N82-K85 PolarHBondContact O-N 3.25Å
83	M	43.1	Very low	58	Low	113 Å²	113	122.6 Å²	122.6	56%	0.557	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-10.4	174.1	-79.7	-75.4	142.5	0	0	115.2	E93	M83-E93 HydrophobicContact CE-CG 4.47Å
84	K	42.5	Very low	57.5	Low	203 Å²	203	120.3 Å²	120.3	88%	0.883	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-3.8	178.2	-71.8	-166.3	175.6	-171	0	115.9	N82	N82-K84 PolarHBondContact O-N 3.29Å
85	K	44.6	Very low	57	Low	183 Å²	183	119.6 Å²	119.6	80%	0.796	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.3	-7.3	179.1	-83.3	-171.2	175.7	-176.6	0	114.9	N82	N82-K85 PolarHBondContact O-N 3.25Å
86	H	43.5	Very low	56.9	Low	125 Å²	125	119.6 Å²	119.6	58%	0.579	57%	0.573	S	S	*	*			trans	-119.2	30.9	-177.7	-84.2	-70.7	0	0	0	114	E88	H86-E88 VanDerWaalsContact C-N 3.28Å; H86-E88 PolarHBondContact O-N 2.72Å
87	T	39	Very low	56.9	Low	115 Å²	115	117 Å²	117	71%	0.706	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	7.1	-177.8	35.5	0	0	0	0	116.3
88	E	47.6	Very low	57.2	Low	185 Å²	185	112.4 Å²	112.4	86%	0.864	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137	-7.3	179.2	-71.1	-173.2	171.1	0	0	118.2	H86	H86-E88 VanDerWaalsContact C-N 3.28Å; H86-E88 PolarHBondContact O-N 2.72Å
89	K	47.3	Very low	57.8	Low	209 Å²	209	107 Å²	107	91%	0.909	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.2	19.5	-175.9	-73.5	-167.6	178.2	177.5	0	118.5
90	S	51.7	Low	58.6	Low	63 Å²	63	108.1 Å²	108.1	44%	0.441	51%	0.514	S	S	.	.			trans	-111.4	123.5	172.1	-178	0	0	0	0	110.5	F92	S90-F92 PolarHBondContact O-N 2.94Å; S90-F92 PolarHBondContact OG-N 2.93Å; S90-F92 PolarHBondContact OG-O 3.13Å
91	E	56.1	Low	60	Low	176 Å²	176	97.6 Å²	97.6	82%	0.822	47%	0.474	S	S	*	.	S	Bend	trans	-69	-8.9	176.4	-100.1	179.8	163.5	0	0	113.7
92	F	56.4	Low	61.8	Low	117 Å²	117	94.2 Å²	94.2	51%	0.513	46%	0.455	S	S	.	.	S	Bend	trans	-137.1	141.8	-172.1	-59.5	-75.2	0	0	0	113.1	S90	S90-F92 PolarHBondContact O-N 2.94Å; S90-F92 PolarHBondContact OG-N 2.93Å; S90-F92 PolarHBondContact OG-O 3.13Å
93	E	63	Low	63.9	Low	115 Å²	115	90 Å²	90	54%	0.537	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-71.8	132.9	171	-67.4	-173.2	156.1	0	0	110.3	N53 L78 M83 L95	N53-E93 PolarHBondContact ND2-O 3.17Å; N53-E93 PolarHBondContact OD1-O 3.01Å; L78-E93 HydrophobicContact CD2-CB 4.19Å; L78-E93 WeakPolarHBondContact CD2-OE2 3.3Å; M83-E93 HydrophobicContact CE-CG 4.47Å; E93-L95 PolarHBondContact O-N 3.49Å
94	P	66.7	Low	65.9	Low	43 Å²	43	85.2 Å²	85.2	28%	0.279	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-69	128.4	-179	27.3	-32.9	0	0	0	111.1	G79	G79-P94 PolarHBondContact N-O 3.28Å
95	L	72.8	Confident	67.7	Low	46 Å²	46	77.7 Å²	77.7	24%	0.241	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.3	177.6	-104	128.7	0	0	0	110.6	S49 L50 N53 E93	S49-L95 CarbonylContact C-O 3.55Å; S49-L95 WeakPolarHBondContact CA-O 3.39Å; L50-L95 HydrophobicContact CB-CB 4.29Å; L50-L95 HydrophobicContact CD1-CB 4.29Å; L50-L95 PolarHBondContact N-O 3.37Å; L50-L95 PolarHBondContact O-N 2.88Å; N53-L95 HydrophobicContact CB-CD1 4.43Å; E93-L95 PolarHBondContact O-N 3.49Å
96	E	79.7	Confident	69.7	Low	56 Å²	56	75.3 Å²	75.3	26%	0.262	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.1	166.2	-79.2	179.4	139.3	0	0	109.1	S76 R77	S76-E96 CarbonylContact C-O 3.47Å; S76-E96 WeakPolarHBondContact CA-O 3.46Å; R77-E96 PolarHBondContact N-O 3Å; R77-E96 PolarHBondContact O-N 2.95Å
97	L	80.2	Confident	71.7	Confident	3 Å²	3	70.6 Å²	70.6	2%	0.016	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.8	172.9	-88.4	166.1	0	0	0	109.5	I47 I48 L50 M57 I60 I74 E75 V99	I47-L97 CarbonylContact C-O 3.56Å; I47-L97 WeakPolarHBondContact CA-O 3.23Å; I48-L97 PolarHBondContact N-O 3.25Å; I48-L97 PolarHBondContact O-N 3.12Å; L50-L97 HydrophobicContact CD1-CD1 3.36Å; L50-L97 HydrophobicContact CD1-CG 4.01Å; L50-L97 HydrophobicContact CD2-CD1 3.88Å; L50-L97 HydrophobicContact CG-CD1 3.83Å; L50-L97 HydrophobicContact CG-CG 4.42Å; M57-L97 HydrophobicContact CE-CD1 4.49Å; M57-L97 HydrophobicContact CE-CD2 4.06Å; M57-L97 HydrophobicContact CG-CD1 4.17Å; I60-L97 HydrophobicContact CD1-CD1 4.39Å; I74-L97 HydrophobicContact CG2-CD2 3.47Å; I74-L97 VanDerWaalsContact CG2-CD2 3.47Å; E75-L97 CarbonylContact O-C 3.09Å; E75-L97 WeakPolarHBondContact O-CA 3.29Å; L97-V99 HydrophobicContact CB-CG2 4.19Å
98	L	82.6	Confident	73.8	Confident	45 Å²	45	65.8 Å²	65.8	24%	0.236	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.6	161.6	174.6	67.2	0	0	0	107.9	I46 I47 I74 E75	I46-L98 CarbonylContact O-C 3.38Å; I46-L98 WeakPolarHBondContact O-CA 3.43Å; I47-L98 HydrophobicContact CD1-CD1 4.37Å; I47-L98 HydrophobicContact CG1-CD1 3.7Å; I74-L98 WeakPolarHBondContact CA-O 3.31Å; E75-L98 HydrophobicContact CB-CB 4.22Å; E75-L98 HydrophobicContact CG-CB 4.12Å; E75-L98 PolarHBondContact N-O 3.33Å; E75-L98 PolarHBondContact O-N 3.26Å
99	V	84.6	Confident	75.3	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.1	-179.4	-169.7	0	0	0	0	108.7	S45 I46 I48 F64 I71 H73 I74 L97 V101	S45-V99 CarbonylContact C-O 3.58Å; S45-V99 WeakPolarHBondContact CA-O 3.39Å; I46-V99 PolarHBondContact N-O 3.11Å; I46-V99 PolarHBondContact O-N 3.43Å; I48-V99 HydrophobicContact CD1-CG2 4.45Å; F64-V99 HydrophobicContact CD2-CG1 4.38Å; F64-V99 HydrophobicContact CE2-CB 4.32Å; F64-V99 HydrophobicContact CE2-CG1 3.52Å; F64-V99 HydrophobicContact CE2-CG2 4.38Å; F64-V99 HydrophobicContact CZ-CB 4.45Å; F64-V99 HydrophobicContact CZ-CG1 3.94Å; I71-V99 HydrophobicContact CG2-CG1 4.15Å; H73-V99 CarbonylContact O-C 3.5Å; H73-V99 WeakPolarHBondContact O-CA 3.38Å; I74-V99 HydrophobicContact CD1-CG1 4.29Å; I74-V99 HydrophobicContact CG1-CB 4.37Å; I74-V99 HydrophobicContact CG1-CG1 3.77Å; I74-V99 HydrophobicContact CG1-CG2 4.23Å; L97-V99 HydrophobicContact CB-CG2 4.19Å; V99-V101 HydrophobicContact CG1-CG1 3.6Å
100	H	81.1	Confident	77.1	Confident	34 Å²	34	61.5 Å²	61.5	16%	0.157	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.5	169.8	-113.1	116.1	0	0	0	108.8	M44 S45 L72 H73	M44-H100 CarbonylContact O-C 3.52Å; M44-H100 WeakPolarHBondContact O-CA 3.46Å; S45-H100 PolarHBondContact OG-CD2 3.21Å; S45-H100 PolarHBondContact OG-CE1 3.39Å; S45-H100 PolarHBondContact OG-ND1 3.04Å; S45-H100 VanDerWaalsContact OG-ND1 3.13Å; S45-H100 PolarHBondContact OG-NE2 2.92Å; L72-H100 HydrophobicContact CB-CB 4.29Å; L72-H100 PolarHBondContact N-O 3.48Å; H73-H100 HydrophobicContact CB-CB 3.97Å; H73-H100 PolarHBondContact N-O 2.83Å; H73-H100 VanDerWaalsContact N-O 3.14Å; H73-H100 PolarHBondContact O-N 2.7Å
101	V	86.9	Confident	78.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.6	-173.4	-68.6	0	0	0	0	111.5	E43 M44 I46 F64 I69 N70 I71 V99 V103	E43-V101 CarbonylContact C-O 3.53Å; E43-V101 VanDerWaalsContact CA-O 3.28Å; E43-V101 WeakPolarHBondContact CA-O 3.42Å; M44-V101 HydrophobicContact CB-CG2 3.96Å; M44-V101 PolarHBondContact N-O 3.05Å; M44-V101 WeakPolarHBondContact O-CG2 3.32Å; M44-V101 PolarHBondContact O-N 3.13Å; I46-V101 HydrophobicContact CD1-CG2 3.72Å; I46-V101 HydrophobicContact CG1-CG2 4.23Å; F64-V101 HydrophobicContact CD1-CG1 4.42Å; F64-V101 HydrophobicContact CE1-CG1 4.22Å; F64-V101 HydrophobicContact CE2-CG1 4.34Å; F64-V101 HydrophobicContact CZ-CG1 4.19Å; I69-V101 HydrophobicContact CG2-CB 3.59Å; I69-V101 HydrophobicContact CG2-CG1 3.84Å; I69-V101 HydrophobicContact CG2-CG2 4.24Å; N70-V101 CarbonylContact O-C 3.53Å; N70-V101 WeakPolarHBondContact O-CA 3.42Å; I71-V101 HydrophobicContact CG1-CG1 4.16Å; V99-V101 HydrophobicContact CG1-CG1 3.6Å; V101-V103 HydrophobicContact CB-CG2 4.16Å; V101-V103 HydrophobicContact CG2-CG2 3.57Å
102	E	85.8	Confident	79.8	Confident	57 Å²	57	51.2 Å²	51.2	27%	0.266	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.9	160.9	-82.9	173.7	144.9	0	0	108.8	E43 N70 L72	E43-E102 HydrophobicContact CG-CG 3.78Å; N70-E102 HydrophobicContact CB-CB 4.16Å; N70-E102 PolarHBondContact N-O 2.98Å; N70-E102 VanDerWaalsContact N-O 3.08Å; N70-E102 PolarHBondContact ND2-OE2 3.29Å; N70-E102 PolarHBondContact O-N 3.1Å; L72-E102 HydrophobicContact CD1-CG 3.9Å; L72-E102 HydrophobicContact CD2-CG 4.19Å; L72-E102 HydrophobicContact CG-CG 4.17Å
103	V	86.3	Confident	81	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.7	-176.8	-174.6	0	0	0	0	108.4	V41 Q42 M44 I69 V101 C105 E107 V108 L111	V41-V103 WeakPolarHBondContact CA-O 3.31Å; Q42-V103 PolarHBondContact N-O 3.33Å; Q42-V103 PolarHBondContact O-N 3.33Å; M44-V103 HydrophobicContact CE-CB 3.83Å; M44-V103 HydrophobicContact CE-CG1 4.19Å; M44-V103 HydrophobicContact CE-CG2 3.72Å; I69-V103 HydrophobicContact CD1-CG1 4.31Å; I69-V103 HydrophobicContact CD1-CG2 4.43Å; I69-V103 HydrophobicContact CG1-CG1 4.21Å; I69-V103 HydrophobicContact CG1-CG2 4.32Å; I69-V103 HydrophobicContact CG2-CG2 3.87Å; V101-V103 HydrophobicContact CB-CG2 4.16Å; V101-V103 HydrophobicContact CG2-CG2 3.57Å; V103-C105 PolarHBondContact O-N 3.28Å; V103-E107 HydrophobicContact CG1-CB 4.1Å; V103-V108 HydrophobicContact CB-CG2 4.25Å; V103-V108 HydrophobicContact CG1-CG2 3.82Å; V103-L111 HydrophobicContact CG1-CD2 4.12Å; V103-L111 HydrophobicContact CG2-CD2 3.68Å
104	P	85.5	Confident	81.9	Confident	14 Å²	14	49.6 Å²	49.6	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	130.4	168.5	-24.7	34	0	0	0	109.7	V41 I106 E107	V41-P104 HydrophobicContact CG1-CG 4.32Å; P104-I106 HydrophobicContact CB-CG1 4.12Å; P104-I106 PolarHBondContact O-N 3.11Å; P104-E107 PolarHBondContact O-N 2.96Å
105	C	80.6	Confident	82.5	Confident	45 Å²	45	47.6 Å²	47.6	30%	0.304	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-52.3	-30.6	-173.5	-75.7	0	0	0	0	113.2	N40 V103 E107	N40-C105 HydrophobicContact CB-CB 4.37Å; N40-C105 WeakPolarHBondContact O-CB 3.38Å; N40-C105 PolarHBondContact O-N 3.46Å; N40-C105 PolarHBondContact O-SG 3.49Å; V103-C105 PolarHBondContact O-N 3.28Å; C105-E107 VanDerWaalsContact C-N 3.3Å; C105-E107 PolarHBondContact O-N 2.84Å
106	I	85.6	Confident	82.5	Confident	133 Å²	133	51.2 Å²	51.2	68%	0.682	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-68.9	-21.8	177.4	61.2	159.9	0	0	0	114.4	P104	P104-I106 HydrophobicContact CB-CG1 4.12Å; P104-I106 PolarHBondContact O-N 3.11Å
107	E	86.6	Confident	82	Confident	26 Å²	26	53.2 Å²	53.2	12%	0.121	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-98.6	-7.5	-177.4	-75.5	-59.4	130.9	0	0	112.6	R67 V103 P104 C105 E109 R110 L111	R67-E107 IonicContact CZ-OE2 2.64Å; R67-E107 IonicContact NH1-OE2 3.11Å; R67-E107 PolarHBondContact NH1-OE2 3.26Å; V103-E107 HydrophobicContact CG1-CB 4.1Å; P104-E107 PolarHBondContact O-N 2.96Å; C105-E107 VanDerWaalsContact C-N 3.3Å; C105-E107 PolarHBondContact O-N 2.84Å; E107-E109 PolarHBondContact O-N 2.73Å; E107-R110 PolarHBondContact O-N 3.15Å; E107-R110 IonicContact OE1-CZ 3.18Å; E107-R110 IonicContact OE1-NH1 2.68Å; E107-R110 PolarHBondContact OE1-NH1 3.28Å; E107-L111 VanDerWaalsContact O-CB 3.32Å; E107-L111 WeakPolarHBondContact O-CB 3.39Å; E107-L111 PolarHBondContact O-N 3.08Å
108	V	82	Confident	81.4	Confident	13 Å²	13	54.1 Å²	54.1	8%	0.079	27%	0.267	C	S	.	.	H	α-helix	trans	-56.6	-55.8	-175.8	173.5	0	0	0	0	111.4	M44 V103 R110 L111 L112	M44-V108 HydrophobicContact CE-CB 4.12Å; M44-V108 HydrophobicContact CE-CG1 3.66Å; M44-V108 HydrophobicContact CE-CG2 3.66Å; M44-V108 HydrophobicContact SD-CG1 4.42Å; V103-V108 HydrophobicContact CB-CG2 4.25Å; V103-V108 HydrophobicContact CG1-CG2 3.82Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 3.35Å; V108-L111 PolarHBondContact O-N 3.45Å; V108-L112 HydrophobicContact CG1-CD1 4.26Å; V108-L112 HydrophobicContact CG1-CG 4.48Å; V108-L112 VanDerWaalsContact O-CG 3.28Å; V108-L112 WeakPolarHBondContact O-CG 3.36Å; V108-L112 PolarHBondContact O-N 3.48Å
109	E	80.4	Confident	80	Confident	161 Å²	161	56 Å²	56	75%	0.752	28%	0.284	S	S	*	.	H	α-helix	trans	-59.7	-43.8	-178.1	-74.5	-171.1	158.5	0	0	112.2	E107 L112 E113	E107-E109 PolarHBondContact O-N 2.73Å; E109-L112 PolarHBondContact O-N 2.98Å; E109-E113 WeakPolarHBondContact O-CB 3.43Å; E109-E113 PolarHBondContact O-N 3.47Å
110	R	84.1	Confident	78.6	Confident	144 Å²	144	59.1 Å²	59.1	54%	0.543	31%	0.305	S	S	.	.	H	α-helix	trans	-65.7	-42.6	-179.4	-65	179	-178.9	163.7	-2.6	112.2	E107 V108 L112 E113 E114	E107-R110 PolarHBondContact O-N 3.15Å; E107-R110 IonicContact OE1-CZ 3.18Å; E107-R110 IonicContact OE1-NH1 2.68Å; E107-R110 PolarHBondContact OE1-NH1 3.28Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 3.35Å; R110-L112 VanDerWaalsContact C-N 3.32Å; R110-L112 PolarHBondContact O-N 2.98Å; R110-E113 PolarHBondContact O-N 3.48Å; R110-E114 PolarHBondContact O-N 2.98Å
111	L	85.4	Confident	77.4	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-47.4	174.8	175.3	64.4	0	0	0	110.4	I46 I63 F64 I69 V103 E107 V108 E113 E114 L115	I46-L111 HydrophobicContact CD1-CD2 4.07Å; I63-L111 HydrophobicContact CG2-CD1 3.78Å; F64-L111 HydrophobicContact CD1-CD1 4.03Å; F64-L111 HydrophobicContact CE1-CD1 3.85Å; F64-L111 HydrophobicContact CE1-CD2 4.39Å; I69-L111 HydrophobicContact CD1-CB 4.26Å; I69-L111 HydrophobicContact CD1-CD1 3.62Å; I69-L111 HydrophobicContact CD1-CD2 3.66Å; I69-L111 HydrophobicContact CD1-CG 4.02Å; V103-L111 HydrophobicContact CG1-CD2 4.12Å; V103-L111 HydrophobicContact CG2-CD2 3.68Å; E107-L111 VanDerWaalsContact O-CB 3.32Å; E107-L111 WeakPolarHBondContact O-CB 3.39Å; E107-L111 PolarHBondContact O-N 3.08Å; V108-L111 PolarHBondContact O-N 3.45Å; L111-E113 PolarHBondContact O-N 3.4Å; L111-E114 PolarHBondContact O-N 3.02Å; L111-L115 HydrophobicContact CD1-CD1 3.94Å; L111-L115 HydrophobicContact CD1-CG 4.11Å; L111-L115 HydrophobicContact CD2-CD1 4.44Å; L111-L115 HydrophobicContact CG-CD1 3.83Å; L111-L115 HydrophobicContact CG-CG 4.39Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 VanDerWaalsContact O-CG 3.25Å; L111-L115 WeakPolarHBondContact O-CG 3.39Å; L111-L115 PolarHBondContact O-N 3.3Å
112	L	79.8	Confident	75.7	Confident	23 Å²	23	67.2 Å²	67.2	12%	0.12	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-33.7	-179.2	-67.4	-172.1	0	0	0	112.3	M44 V108 E109 R110 K116 Y121 I123	M44-L112 HydrophobicContact SD-CD2 4.26Å; V108-L112 HydrophobicContact CG1-CD1 4.26Å; V108-L112 HydrophobicContact CG1-CG 4.48Å; V108-L112 VanDerWaalsContact O-CG 3.28Å; V108-L112 WeakPolarHBondContact O-CG 3.36Å; V108-L112 PolarHBondContact O-N 3.48Å; E109-L112 PolarHBondContact O-N 2.98Å; R110-L112 VanDerWaalsContact C-N 3.32Å; R110-L112 PolarHBondContact O-N 2.98Å; L112-K116 WeakPolarHBondContact O-CG 3.36Å; L112-K116 PolarHBondContact O-N 3.27Å; L112-Y121 PolarHBondContact O-OH 3.39Å; L112-I123 HydrophobicContact CB-CD1 4.42Å; L112-I123 HydrophobicContact CD1-CD1 3.95Å; L112-I123 HydrophobicContact CD2-CD1 3.34Å; L112-I123 HydrophobicContact CD2-CG1 3.67Å; L112-I123 HydrophobicContact CD2-CG2 4.08Å; L112-I123 HydrophobicContact CG-CD1 4.07Å
113	E	80.7	Confident	74.1	Confident	127 Å²	127	66.7 Å²	66.7	59%	0.593	33%	0.333	S	S	*	.	H	α-helix	trans	-72.7	-39.5	179.4	-147.3	137.4	-122	0	0	112.4	E109 R110 L111 K116	E109-E113 WeakPolarHBondContact O-CB 3.43Å; E109-E113 PolarHBondContact O-N 3.47Å; R110-E113 PolarHBondContact O-N 3.48Å; L111-E113 PolarHBondContact O-N 3.4Å; E113-K116 VanDerWaalsContact O-CB 3.31Å; E113-K116 WeakPolarHBondContact O-CB 3.46Å; E113-K116 PolarHBondContact O-N 3.23Å; E113-K116 IonicContact OE1-NZ 3.67Å
114	E	82.8	Confident	72.3	Confident	71 Å²	71	68 Å²	68	33%	0.332	34%	0.341	S	S	.	.	H	α-helix	trans	-70.4	-38	175.4	-167.8	163.9	-154.4	0	0	111.6	I63 R67 R110 L111 K116 S117	I63-E114 HydrophobicContact CD1-CG 4.08Å; I63-E114 HydrophobicContact CG1-CG 4.36Å; R67-E114 IonicContact CZ-OE2 2.82Å; R67-E114 IonicContact NE-OE2 2.75Å; R67-E114 PolarHBondContact NE-OE2 2.79Å; R67-E114 IonicContact NH2-OE2 3.88Å; R67-E114 PolarHBondContact NH2-OE2 2.78Å; R110-E114 PolarHBondContact O-N 2.98Å; L111-E114 PolarHBondContact O-N 3.02Å; E114-K116 PolarHBondContact O-N 3.31Å; E114-K116 VanDerWaalsContact O-N 3.14Å; E114-S117 WeakPolarHBondContact O-CB 3.49Å; E114-S117 PolarHBondContact O-N 2.74Å; E114-S117 PolarHBondContact O-OG 3.05Å
115	L	79	Confident	70.3	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.2	-21.1	175.2	-69.6	171.6	0	0	0	113	I46 I48 L111 S117 F118 Y121	I46-L115 HydrophobicContact CD1-CD1 3.84Å; I46-L115 HydrophobicContact CG2-CD1 3.95Å; I48-L115 HydrophobicContact CD1-CD2 4.01Å; L111-L115 HydrophobicContact CD1-CD1 3.94Å; L111-L115 HydrophobicContact CD1-CG 4.11Å; L111-L115 HydrophobicContact CD2-CD1 4.44Å; L111-L115 HydrophobicContact CG-CD1 3.83Å; L111-L115 HydrophobicContact CG-CG 4.39Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 VanDerWaalsContact O-CG 3.25Å; L111-L115 WeakPolarHBondContact O-CG 3.39Å; L111-L115 PolarHBondContact O-N 3.3Å; L115-S117 PolarHBondContact O-N 2.73Å; L115-F118 HydrophobicContact CD2-CD2 4.28Å; L115-F118 HydrophobicContact CD2-CE2 4.31Å; L115-F118 PolarHBondContact O-N 3.39Å; L115-F118 VanDerWaalsContact O-N 3.13Å; L115-Y121 HydrophobicContact CB-CD2 3.58Å; L115-Y121 HydrophobicContact CB-CE2 3.59Å; L115-Y121 HydrophobicContact CB-CG 4.13Å; L115-Y121 HydrophobicContact CD1-CD2 4.46Å; L115-Y121 WeakPolarHBondContact O-CD1 3.45Å
116	K	72.6	Confident	68.2	Low	123 Å²	123	71.1 Å²	71.1	54%	0.535	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.3	171.4	-65.8	172.2	-172.2	165.7	0	113.6	L112 E113 E114 F118 Y121	L112-K116 WeakPolarHBondContact O-CG 3.36Å; L112-K116 PolarHBondContact O-N 3.27Å; E113-K116 VanDerWaalsContact O-CB 3.31Å; E113-K116 WeakPolarHBondContact O-CB 3.46Å; E113-K116 PolarHBondContact O-N 3.23Å; E113-K116 IonicContact OE1-NZ 3.67Å; E114-K116 PolarHBondContact O-N 3.31Å; E114-K116 VanDerWaalsContact O-N 3.14Å; K116-F118 PolarHBondContact O-N 3.36Å; K116-Y121 HydrophobicContact CB-CE1 4.02Å; K116-Y121 HydrophobicContact CG-CE1 3.66Å; K116-Y121 WeakPolarHBondContact CG-OH 3.31Å
117	S	70	Confident	65.6	Low	97 Å²	97	67.4 Å²	67.4	68%	0.678	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.2	177.9	71.3	0	0	0	0	113.1	E114 L115	E114-S117 WeakPolarHBondContact O-CB 3.49Å; E114-S117 PolarHBondContact O-N 2.74Å; E114-S117 PolarHBondContact O-OG 3.05Å; L115-S117 PolarHBondContact O-N 2.73Å
118	F	67.7	Low	63	Low	23 Å²	23	71.1 Å²	71.1	10%	0.101	36%	0.356	C	S	.	.	S	Bend	trans	-82.9	135.6	175.7	-65.7	-90.2	0	0	0	110.6	I48 D56 I60 I63 L115 K116 S120	I48-F118 HydrophobicContact CG2-CB 4.4Å; D56-F118 HydrophobicContact CB-CE1 4.45Å; I60-F118 HydrophobicContact CD1-CD1 4.49Å; I60-F118 HydrophobicContact CD1-CE1 4.24Å; I60-F118 HydrophobicContact CG1-CD1 4.41Å; I60-F118 HydrophobicContact CG1-CE1 3.78Å; I60-F118 HydrophobicContact CG1-CE2 4.23Å; I60-F118 HydrophobicContact CG1-CZ 3.68Å; I63-F118 HydrophobicContact CD1-CE2 3.49Å; I63-F118 VanDerWaalsContact CD1-CE2 3.49Å; I63-F118 HydrophobicContact CD1-CZ 3.71Å; L115-F118 HydrophobicContact CD2-CD2 4.28Å; L115-F118 HydrophobicContact CD2-CE2 4.31Å; L115-F118 PolarHBondContact O-N 3.39Å; L115-F118 VanDerWaalsContact O-N 3.13Å; K116-F118 PolarHBondContact O-N 3.36Å; F118-S120 PolarHBondContact O-N 2.87Å
119	S	53.1	Low	60.6	Low	85 Å²	85	79 Å²	79	59%	0.594	39%	0.394	S	S	*	.	S	Bend	trans	-57.9	-19.1	-169.2	36.2	0	0	0	0	115.3	V51	V51-S119 WeakPolarHBondContact CG2-OG 3.3Å
120	S	55.6	Low	58.1	Low	66 Å²	66	78.1 Å²	78.1	46%	0.462	39%	0.394	S	S	.	.	S	Bend	trans	-159.3	106.3	167.6	-37.4	0	0	0	0	109.9	S49 F118	S49-S120 PolarHBondContact N-O 3.29Å; F118-S120 PolarHBondContact O-N 2.87Å
121	Y	56.2	Low	55.6	Low	50 Å²	50	78.6 Å²	78.6	20%	0.196	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.9	169.2	84.3	-65.2	0	0	0	109.8	L112 L115 K116 I123	L112-Y121 PolarHBondContact O-OH 3.39Å; L115-Y121 HydrophobicContact CB-CD2 3.58Å; L115-Y121 HydrophobicContact CB-CE2 3.59Å; L115-Y121 HydrophobicContact CB-CG 4.13Å; L115-Y121 HydrophobicContact CD1-CD2 4.46Å; L115-Y121 WeakPolarHBondContact O-CD1 3.45Å; K116-Y121 HydrophobicContact CB-CE1 4.02Å; K116-Y121 HydrophobicContact CG-CE1 3.66Å; K116-Y121 WeakPolarHBondContact CG-OH 3.31Å; Y121-I123 HydrophobicContact CD2-CD1 4.46Å; Y121-I123 HydrophobicContact CD2-CG1 3.88Å; Y121-I123 HydrophobicContact CE2-CD1 3.6Å; Y121-I123 HydrophobicContact CE2-CG1 3.49Å; Y121-I123 VanDerWaalsContact CE2-CG1 3.49Å
122	R	49.6	Very low	53.1	Low	154 Å²	154	84.1 Å²	84.1	58%	0.581	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.1	174.4	-74.3	-171.2	176.9	-166.5	-1.8	108.7	I47	I47-R122 PolarHBondContact N-O 3.09Å; I47-R122 PolarHBondContact O-N 3.44Å; I47-R122 VanDerWaalsContact O-O 3.08Å
123	I	53	Low	51.2	Low	45 Å²	45	87.2 Å²	87.2	23%	0.231	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.5	179.7	-53.4	152.5	0	0	0	108.2	M44 L112 Y121 Q125 P137	M44-I123 HydrophobicContact SD-CG2 4.36Å; L112-I123 HydrophobicContact CB-CD1 4.42Å; L112-I123 HydrophobicContact CD1-CD1 3.95Å; L112-I123 HydrophobicContact CD2-CD1 3.34Å; L112-I123 HydrophobicContact CD2-CG1 3.67Å; L112-I123 HydrophobicContact CD2-CG2 4.08Å; L112-I123 HydrophobicContact CG-CD1 4.07Å; Y121-I123 HydrophobicContact CD2-CD1 4.46Å; Y121-I123 HydrophobicContact CD2-CG1 3.88Å; Y121-I123 HydrophobicContact CE2-CD1 3.6Å; Y121-I123 HydrophobicContact CE2-CG1 3.49Å; Y121-I123 VanDerWaalsContact CE2-CG1 3.49Å; I123-Q125 HydrophobicContact CG2-CB 4.38Å; I123-Q125 HydrophobicContact CG2-CG 3.86Å; I123-P137 WeakPolarHBondContact O-CB 3.49Å
124	V	47.5	Very low	49.6	Very low	27 Å²	27	82.4 Å²	82.4	16%	0.164	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	80.2	166.6	178.7	0	0	0	0	106.4	S45 I47 N126 P137	S45-V124 PolarHBondContact N-O 3.34Å; S45-V124 CarbonylContact O-C 3.54Å; S45-V124 WeakPolarHBondContact O-CA 3.03Å; S45-V124 WeakPolarHBondContact O-CB 3.28Å; S45-V124 PolarHBondContact O-N 2.68Å; I47-V124 HydrophobicContact CD1-CG2 3.92Å; I47-V124 HydrophobicContact CG1-CG2 4.14Å; V124-N126 PolarHBondContact O-N 3.28Å; V124-P137 HydrophobicContact CB-CB 4.25Å; V124-P137 HydrophobicContact CB-CG 3.62Å; V124-P137 HydrophobicContact CG1-CG 3.49Å; V124-P137 VanDerWaalsContact CG1-CG 3.49Å; V124-P137 HydrophobicContact CG2-CB 4.05Å; V124-P137 HydrophobicContact CG2-CG 3.46Å; V124-P137 VanDerWaalsContact CG2-CG 3.46Å
125	Q	43.6	Very low	48	Very low	96 Å²	96	84.1 Å²	84.1	45%	0.449	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-64.3	118.5	176.6	-102.7	176.8	-12.7	0	0	109	M44 I123	M44-Q125 HydrophobicContact SD-CG 4.49Å; I123-Q125 HydrophobicContact CG2-CB 4.38Å; I123-Q125 HydrophobicContact CG2-CG 3.86Å
126	N	37.1	Very low	46.8	Very low	30 Å²	30	84.2 Å²	84.2	16%	0.16	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-77.1	120.5	149.4	-90.9	-9.2	0	0	0	105.7	Q42 V124	Q42-N126 PolarHBondContact NE2-O 3.06Å; V124-N126 PolarHBondContact O-N 3.28Å
127	P	30.3	Very low	45.9	Very low	54 Å²	54	80.6 Å²	80.6	35%	0.351	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-69.2	156.8	176.3	0.6	14	0	0	0	110.1	M129 A134	P127-M129 PolarHBondContact O-N 3.49Å; P127-A134 HydrophobicContact CG-CB 3.3Å
128	L	33.5	Very low	45.2	Very low	105 Å²	105	79.6 Å²	79.6	55%	0.55	42%	0.424	S	S	.	.			trans	-40.6	130.8	168.6	-78	124.9	0	0	0	111.2	N130	L128-N130 CarbonylContact O-C 3.56Å; L128-N130 PolarHBondContact O-N 3.14Å
129	M	30.7	Very low	44.8	Very low	177 Å²	177	79.4 Å²	79.4	87%	0.872	42%	0.424	S	S	*	.	S	Bend	trans	-55.2	114.4	161.9	-70.5	-152.4	-178.9	0	0	107	P127	P127-M129 PolarHBondContact O-N 3.49Å
130	N	28.8	Very low	45.2	Very low	143 Å²	143	79.4 Å²	79.4	77%	0.765	42%	0.418	S	S	*	.	S	Bend	trans	89.9	96.6	-168.8	-51.5	-27.7	0	0	0	115	L128	L128-N130 CarbonylContact O-C 3.56Å; L128-N130 PolarHBondContact O-N 3.14Å
131	L	30.2	Very low	45.4	Very low	155 Å²	155	81.6 Å²	81.6	81%	0.812	42%	0.424	S	S	*	.	S	Bend	trans	123.6	160.8	159.2	-67.2	153.8	0	0	0	114.4
132	P	32.6	Very low	46.3	Very low	116 Å²	116	87.9 Å²	87.9	75%	0.753	45%	0.452	S	S	*	.	S	Bend		-63.8	150.5	-120.1	21.5	0.4	0	0	0	115	A134	P132-A134 PolarHBondContact O-N 2.95Å
133	E	41.3	Very low	47.9	Very low	87 Å²	87	80.8 Å²	80.8	41%	0.407	43%	0.426	S	S	.	.			trans	4.6	103	176.8	-70.6	-172.9	133.2	0	0	114.9	K135 P144 R277	E133-K135 WeakPolarHBondContact O-CG 3.34Å; E133-K135 PolarHBondContact O-N 3.45Å; E133-P144 WeakPolarHBondContact OE1-CG 3.48Å; E133-R277 IonicContact OE1-NH2 2.89Å; E133-R277 PolarHBondContact OE1-NH2 3.19Å
134	A	47.6	Very low	49.5	Very low	26 Å²	26	79 Å²	79	22%	0.215	42%	0.418	C	S	.	.			trans	-44.6	140.4	165	0	0	0	0	0	110.4	P127 P132 W145	P127-A134 HydrophobicContact CG-CB 3.3Å; P132-A134 PolarHBondContact O-N 2.95Å; A134-W145 HydrophobicContact CB-CB 3.59Å; A134-W145 HydrophobicContact CB-CG 4.02Å; A134-W145 WeakPolarHBondContact O-CA 3.37Å; A134-W145 WeakPolarHBondContact O-CB 3.44Å; A134-W145 PolarHBondContact O-N 3.31Å
135	K	49	Very low	51.4	Low	107 Å²	107	79.4 Å²	79.4	47%	0.465	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-111.7	146.4	-174.5	-65.6	175.7	176.5	-157.9	0	110.8	E133 P137 D141	E133-K135 WeakPolarHBondContact O-CG 3.34Å; E133-K135 PolarHBondContact O-N 3.45Å; K135-P137 WeakPolarHBondContact O-CD 3.26Å; K135-D141 HydrophobicContact CD-CB 4.25Å; K135-D141 WeakPolarHBondContact CD-O 3.38Å; K135-D141 WeakPolarHBondContact CE-O 3.41Å; K135-D141 PolarHBondContact NZ-O 2.93Å
136	N	52.6	Low	53.6	Low	3 Å²	3	75 Å²	75	2%	0.016	40%	0.396	C	S	.	.			trans	-77.7	115.6	177.3	-90.2	-61.7	0	0	0	111.2	T138 L139 P144 W145 F146	N136-T138 PolarHBondContact O-N 3.45Å; N136-T138 VanDerWaalsContact O-N 3.09Å; N136-L139 HydrophobicContact CB-CB 3.83Å; N136-L139 HydrophobicContact CB-CD1 3.8Å; N136-L139 HydrophobicContact CB-CG 4.23Å; N136-L139 PolarHBondContact O-N 3.04Å; N136-P144 PolarHBondContact ND2-O 2.9Å; N136-W145 WeakPolarHBondContact ND2-CA 3.3Å; N136-F146 WeakPolarHBondContact ND2-CD1 3.28Å; N136-F146 WeakPolarHBondContact ND2-CE1 3.4Å; N136-F146 PolarHBondContact ND2-N 3.33Å
137	P	53.4	Low	56.3	Low	46 Å²	46	73.7 Å²	73.7	30%	0.299	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.7	-172	27.8	-37.2	0	0	0	114.5	I123 V124 K135	I123-P137 WeakPolarHBondContact O-CB 3.49Å; V124-P137 HydrophobicContact CB-CB 4.25Å; V124-P137 HydrophobicContact CB-CG 3.62Å; V124-P137 HydrophobicContact CG1-CG 3.49Å; V124-P137 VanDerWaalsContact CG1-CG 3.49Å; V124-P137 HydrophobicContact CG2-CB 4.05Å; V124-P137 HydrophobicContact CG2-CG 3.46Å; V124-P137 VanDerWaalsContact CG2-CG 3.46Å; K135-P137 WeakPolarHBondContact O-CD 3.26Å
138	T	56	Low	59.2	Low	76 Å²	76	74.3 Å²	74.3	47%	0.466	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-0.4	175.7	58.2	0	0	0	0	113.1	N136	N136-T138 PolarHBondContact O-N 3.45Å; N136-T138 VanDerWaalsContact O-N 3.09Å
139	L	58.3	Low	62.1	Low	20 Å²	20	71.8 Å²	71.8	11%	0.105	37%	0.369	C	S	.	.	S	Bend	trans	-124.2	170.7	-175.8	-72	166.7	0	0	0	110.1	N136 V143 F146 F435 I448 K450	N136-L139 HydrophobicContact CB-CB 3.83Å; N136-L139 HydrophobicContact CB-CD1 3.8Å; N136-L139 HydrophobicContact CB-CG 4.23Å; N136-L139 PolarHBondContact O-N 3.04Å; L139-V143 HydrophobicContact CB-CB 4.24Å; L139-V143 HydrophobicContact CB-CG2 4.24Å; L139-V143 HydrophobicContact CD1-CG1 4.19Å; L139-F146 HydrophobicContact CD1-CE1 3.97Å; L139-F146 HydrophobicContact CD1-CZ 4.26Å; L139-F435 HydrophobicContact CD1-CD1 4.15Å; L139-F435 HydrophobicContact CD1-CE1 3.41Å; L139-F435 VanDerWaalsContact CD1-CE1 3.41Å; L139-F435 HydrophobicContact CD1-CE2 4.41Å; L139-F435 HydrophobicContact CD1-CZ 3.58Å; L139-F435 HydrophobicContact CD2-CD1 3.55Å; L139-F435 HydrophobicContact CD2-CE1 3.63Å; L139-F435 HydrophobicContact CD2-CG 4.41Å; L139-F435 HydrophobicContact CG-CD1 4.46Å; L139-F435 HydrophobicContact CG-CE1 4.06Å; L139-I448 HydrophobicContact CD1-CD1 3.61Å; L139-I448 HydrophobicContact CD1-CG1 4.45Å; L139-I448 HydrophobicContact CD2-CD1 4.13Å; L139-I448 HydrophobicContact CD2-CG2 4.3Å; L139-I448 HydrophobicContact CG-CD1 3.97Å; L139-K450 HydrophobicContact CD2-CD 4.49Å
140	D	63.3	Low	65.3	Low	85 Å²	85	63.7 Å²	63.7	46%	0.455	33%	0.329	S	S	.	.			trans	-56.7	142.7	176.4	-169.9	-35.4	0	0	0	109.6	K142 V143	D140-K142 PolarHBondContact O-N 3.29Å; D140-K142 PolarHBondContact OD1-N 2.74Å; D140-V143 HydrophobicContact CB-CG2 4.32Å; D140-V143 PolarHBondContact O-N 2.96Å
141	D	59.5	Low	68.4	Low	112 Å²	112	58.7 Å²	58.7	60%	0.599	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-6.3	178.3	-74.8	-24.6	0	0	0	113.6	K135	K135-D141 HydrophobicContact CD-CB 4.25Å; K135-D141 WeakPolarHBondContact CD-O 3.38Å; K135-D141 WeakPolarHBondContact CE-O 3.41Å; K135-D141 PolarHBondContact NZ-O 2.93Å
142	K	74.4	Confident	71.4	Confident	181 Å²	181	52.6 Å²	52.6	79%	0.787	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.5	175.5	-63.1	-177.2	-178.8	-179.3	0	114.6	D140 P144	D140-K142 PolarHBondContact O-N 3.29Å; D140-K142 PolarHBondContact OD1-N 2.74Å; K142-P144 WeakPolarHBondContact O-CD 3.47Å
143	V	82.5	Confident	74.4	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.03	24%	0.239	C	C	.	.	S	Bend	trans	-97.8	119	-176.5	-176.2	0	0	0	0	110	L139 D140 P434 F435	L139-V143 HydrophobicContact CB-CB 4.24Å; L139-V143 HydrophobicContact CB-CG2 4.24Å; L139-V143 HydrophobicContact CD1-CG1 4.19Å; D140-V143 HydrophobicContact CB-CG2 4.32Å; D140-V143 PolarHBondContact O-N 2.96Å; V143-P434 HydrophobicContact CG2-CG 3.5Å; V143-P434 VanDerWaalsContact CG2-CG 3.5Å; V143-F435 HydrophobicContact CB-CE1 4.38Å; V143-F435 HydrophobicContact CG1-CE1 3.64Å; V143-F435 HydrophobicContact CG1-CZ 3.63Å; V143-F435 HydrophobicContact CG2-CE1 3.91Å
144	P	86.4	Confident	76.8	Confident	8 Å²	8	44.3 Å²	44.3	5%	0.052	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-55.6	142.1	173.4	-28.4	38.9	0	0	0	111.2	E133 N136 K142 T338	E133-P144 WeakPolarHBondContact OE1-CG 3.48Å; N136-P144 PolarHBondContact ND2-O 2.9Å; K142-P144 WeakPolarHBondContact O-CD 3.47Å; P144-T338 WeakPolarHBondContact CG-O 3.21Å
145	W	87.6	Confident	78.6	Confident	35 Å²	35	45.9 Å²	45.9	13%	0.133	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-61.6	148.2	177	-180	97.4	0	0	0	110.4	A134 N136 P147 D152 K155 V156	A134-W145 HydrophobicContact CB-CB 3.59Å; A134-W145 HydrophobicContact CB-CG 4.02Å; A134-W145 WeakPolarHBondContact O-CA 3.37Å; A134-W145 WeakPolarHBondContact O-CB 3.44Å; A134-W145 PolarHBondContact O-N 3.31Å; N136-W145 WeakPolarHBondContact ND2-CA 3.3Å; W145-P147 HydrophobicContact CH2-CB 4.1Å; W145-D152 HydrophobicContact CH2-CB 4.44Å; W145-D152 HydrophobicContact CZ2-CB 4.39Å; W145-K155 HydrophobicContact CZ2-CD 4.32Å; W145-V156 HydrophobicContact CH2-CG1 3.9Å; W145-V156 HydrophobicContact CZ3-CG1 3.44Å; W145-V156 VanDerWaalsContact CZ3-CG1 3.44Å
146	F	91.3	Very high	80.4	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.018	21%	0.208	C	C	.	.			trans	-150.9	149.9	171.8	62.7	-91.2	0	0	0	109.4	N136 L139 R148 L336 F435 I446 I448	N136-F146 WeakPolarHBondContact ND2-CD1 3.28Å; N136-F146 WeakPolarHBondContact ND2-CE1 3.4Å; N136-F146 PolarHBondContact ND2-N 3.33Å; L139-F146 HydrophobicContact CD1-CE1 3.97Å; L139-F146 HydrophobicContact CD1-CZ 4.26Å; F146-R148 PolarHBondContact O-N 3.05Å; F146-L336 HydrophobicContact CB-CB 4.32Å; F146-L336 HydrophobicContact CB-CD2 4.1Å; F146-L336 HydrophobicContact CD1-CB 4.44Å; F146-L336 HydrophobicContact CD2-CB 3.81Å; F146-L336 HydrophobicContact CD2-CD1 4.06Å; F146-L336 HydrophobicContact CD2-CD2 4.22Å; F146-L336 HydrophobicContact CD2-CG 4.25Å; F146-L336 HydrophobicContact CE2-CB 4.2Å; F146-L336 HydrophobicContact CE2-CD1 4.33Å; F146-L336 HydrophobicContact CG-CB 3.95Å; F146-L336 HydrophobicContact CG-CD2 4.45Å; F146-F435 HydrophobicContact CE1-CE2 4Å; F146-F435 AromaticContact CE1-CZ 3.73Å; F146-F435 HydrophobicContact CE1-CZ 3.73Å; F146-F435 HydrophobicContact CZ-CE2 4.04Å; F146-F435 HydrophobicContact CZ-CZ 4.17Å; F146-I446 HydrophobicContact CE2-CB 4.43Å; F146-I446 HydrophobicContact CE2-CG2 3.94Å; F146-I448 HydrophobicContact CZ-CD1 4.47Å; F146-I448 HydrophobicContact CZ-CG1 4.36Å
147	P	92.2	Very high	81.7	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.013	21%	0.208	C	C	.	.			trans	-57.4	135.8	178.6	19.8	-30.5	0	0	0	111.3	W145 D152 L153 F285	W145-P147 HydrophobicContact CH2-CB 4.1Å; P147-D152 HydrophobicContact CB-CB 3.6Å; P147-L153 HydrophobicContact CB-CD2 3.94Å; P147-L153 HydrophobicContact CG-CD2 3.69Å; P147-F285 HydrophobicContact CB-CE2 3.93Å; P147-F285 HydrophobicContact CB-CZ 4.08Å; P147-F285 HydrophobicContact CG-CE2 3.76Å; P147-F285 HydrophobicContact CG-CZ 4.37Å; P147-F285 WeakPolarHBondContact O-CZ 3.19Å
148	R	91.6	Very high	82.8	Confident	67 Å²	67	41.7 Å²	41.7	25%	0.253	21%	0.209	S	C	.	.	S	Bend	trans	-102.8	-32.9	-176.7	-60.9	-69.1	-65.4	135.9	12.6	111.4	F146 D152 S445 I446	F146-R148 PolarHBondContact O-N 3.05Å; R148-D152 PolarHBondContact N-OD2 2.56Å; R148-S445 CarbonylContact O-C 3.59Å; R148-S445 VanDerWaalsContact O-CA 3.32Å; R148-S445 WeakPolarHBondContact O-CA 3.38Å; R148-I446 PolarHBondContact NH1-O 3Å; R148-I446 PolarHBondContact NH2-O 3.08Å; R148-I446 PolarHBondContact O-N 3.41Å
149	H	95.4	Very high	83.8	Confident	52 Å²	52	41 Å²	41	24%	0.241	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-121.4	153.3	172.4	-179.5	-100.9	0	0	0	109.8	S151 D152 W195 F285 T443 S445	H149-S151 WeakPolarHBondContact ND1-CB 3.21Å; H149-S151 PolarHBondContact ND1-N 3.41Å; H149-S151 VanDerWaalsContact ND1-N 3.12Å; H149-S151 PolarHBondContact ND1-OG 3.48Å; H149-S151 PolarHBondContact O-N 3.32Å; H149-S151 VanDerWaalsContact O-N 3.1Å; H149-D152 PolarHBondContact N-OD2 3.36Å; H149-D152 VanDerWaalsContact O-CB 3.27Å; H149-D152 WeakPolarHBondContact O-CB 3.22Å; H149-D152 PolarHBondContact O-N 3.29Å; H149-W195 AromaticContact CE1-CH2 3.95Å; H149-F285 VanDerWaalsContact C-CE1 3.45Å; H149-T443 PolarHBondContact CD2-O 3.48Å; H149-S445 PolarHBondContact CD2-OG 3.4Å
150	I	96.3	Very high	84.3	Confident	7 Å²	7	41.9 Å²	41.9	4%	0.036	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-56.3	-28.8	-179.3	-170.6	167.4	0	0	0	113.6	D152 L153 W195 F285 V287 Q444	I150-D152 VanDerWaalsContact C-N 3.28Å; I150-D152 PolarHBondContact O-N 3.35Å; I150-L153 HydrophobicContact CG1-CD1 4.25Å; I150-L153 WeakPolarHBondContact O-CB 3.49Å; I150-L153 VanDerWaalsContact O-CG 3.25Å; I150-L153 WeakPolarHBondContact O-CG 3.18Å; I150-L153 PolarHBondContact O-N 3.42Å; I150-W195 HydrophobicContact CG2-CD2 4.41Å; I150-W195 HydrophobicContact CG2-CZ2 3.78Å; I150-W195 VanDerWaalsContact CG2-NE1 3.26Å; I150-F285 HydrophobicContact CB-CD1 3.73Å; I150-F285 HydrophobicContact CB-CE1 4.37Å; I150-F285 HydrophobicContact CB-CG 4.39Å; I150-F285 HydrophobicContact CD1-CB 4.34Å; I150-F285 HydrophobicContact CG1-CB 4.14Å; I150-F285 HydrophobicContact CG1-CD1 4.25Å; I150-F285 HydrophobicContact CG1-CG 4.45Å; I150-V287 HydrophobicContact CD1-CG2 3.73Å; I150-V287 HydrophobicContact CG1-CG2 4Å; I150-Q444 HydrophobicContact CB-CB 4.05Å; I150-Q444 HydrophobicContact CG2-CB 3.53Å; I150-Q444 HydrophobicContact CG2-CG 4.42Å; I150-Q444 PolarHBondContact N-O 2.78Å
151	S	95	Very high	84.5	Confident	39 Å²	39	42.2 Å²	42.2	27%	0.273	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-71.3	-20.4	175.7	68.9	0	0	0	0	113.3	H149 L153 D154	H149-S151 WeakPolarHBondContact ND1-CB 3.21Å; H149-S151 PolarHBondContact ND1-N 3.41Å; H149-S151 VanDerWaalsContact ND1-N 3.12Å; H149-S151 PolarHBondContact ND1-OG 3.48Å; H149-S151 PolarHBondContact O-N 3.32Å; H149-S151 VanDerWaalsContact O-N 3.1Å; S151-L153 PolarHBondContact O-N 3.17Å; S151-L153 VanDerWaalsContact O-N 3.16Å; S151-D154 WeakPolarHBondContact O-CB 3.2Å; S151-D154 PolarHBondContact O-N 3.43Å; S151-D154 VanDerWaalsContact O-N 3.11Å
152	D	93.4	Very high	84.7	Confident	27 Å²	27	39 Å²	39	14%	0.144	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-65.4	-14.8	174.1	-69.9	-46.7	0	0	0	111.8	W145 P147 R148 H149 I150 D154 K155	W145-D152 HydrophobicContact CH2-CB 4.44Å; W145-D152 HydrophobicContact CZ2-CB 4.39Å; P147-D152 HydrophobicContact CB-CB 3.6Å; R148-D152 PolarHBondContact N-OD2 2.56Å; H149-D152 PolarHBondContact N-OD2 3.36Å; H149-D152 VanDerWaalsContact O-CB 3.27Å; H149-D152 WeakPolarHBondContact O-CB 3.22Å; H149-D152 PolarHBondContact O-N 3.29Å; I150-D152 VanDerWaalsContact C-N 3.28Å; I150-D152 PolarHBondContact O-N 3.35Å; D152-D154 PolarHBondContact O-N 2.96Å; D152-K155 WeakPolarHBondContact O-CB 3.46Å; D152-K155 PolarHBondContact O-N 3.18Å; D152-K155 IonicContact OD1-NZ 3.24Å; D152-K155 PolarHBondContact OD1-NZ 3.32Å
153	L	94.8	Very high	84.3	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-20.1	172.7	-58.8	-176.9	0	0	0	112.7	P147 I150 S151 K155 V156 S157 F285 V287	P147-L153 HydrophobicContact CB-CD2 3.94Å; P147-L153 HydrophobicContact CG-CD2 3.69Å; I150-L153 HydrophobicContact CG1-CD1 4.25Å; I150-L153 WeakPolarHBondContact O-CB 3.49Å; I150-L153 VanDerWaalsContact O-CG 3.25Å; I150-L153 WeakPolarHBondContact O-CG 3.18Å; I150-L153 PolarHBondContact O-N 3.42Å; S151-L153 PolarHBondContact O-N 3.17Å; S151-L153 VanDerWaalsContact O-N 3.16Å; L153-K155 PolarHBondContact O-N 2.86Å; L153-V156 HydrophobicContact CB-CG2 4.48Å; L153-V156 HydrophobicContact CD2-CG2 4.16Å; L153-V156 WeakPolarHBondContact O-CG2 3.48Å; L153-V156 PolarHBondContact O-N 3.5Å; L153-S157 WeakPolarHBondContact O-CB 3.39Å; L153-S157 PolarHBondContact O-N 3.28Å; L153-S157 VanDerWaalsContact O-N 3.08Å; L153-S157 PolarHBondContact O-OG 3.1Å; L153-F285 HydrophobicContact CD1-CB 4.22Å; L153-F285 HydrophobicContact CD1-CD2 4.38Å; L153-F285 HydrophobicContact CD1-CG 4.38Å; L153-F285 HydrophobicContact CD2-CD2 4.13Å; L153-F285 HydrophobicContact CD2-CE2 4.4Å; L153-V287 HydrophobicContact CD1-CB 3.66Å; L153-V287 HydrophobicContact CD1-CG1 3.87Å; L153-V287 HydrophobicContact CD1-CG2 3.68Å
154	D	92.3	Very high	83.5	Confident	27 Å²	27	32 Å²	32	14%	0.144	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-24.5	171.2	-71	-18.6	0	0	0	113.3	S151 D152 K194 W195 R268	S151-D154 WeakPolarHBondContact O-CB 3.2Å; S151-D154 PolarHBondContact O-N 3.43Å; S151-D154 VanDerWaalsContact O-N 3.11Å; D152-D154 PolarHBondContact O-N 2.96Å; D154-K194 HydrophobicContact CB-CD 4.03Å; D154-K194 WeakPolarHBondContact OD1-CA 3.44Å; D154-W195 PolarHBondContact OD1-N 3.02Å; D154-W195 PolarHBondContact OD2-N 3.3Å; D154-R268 IonicContact OD1-CZ 2.74Å; D154-R268 IonicContact OD1-NH1 3.13Å; D154-R268 PolarHBondContact OD1-NH1 3.28Å; D154-R268 IonicContact OD1-NH2 2.97Å; D154-R268 PolarHBondContact OD1-NH2 3.27Å
155	K	85.8	Confident	82.6	Confident	60 Å²	60	37.5 Å²	37.5	26%	0.261	19%	0.191	S	C	.	.	H	α-helix	trans	-82.2	-31.2	-179.4	-61.5	171.2	-179.8	162.9	0	112.3	W145 D152 L153	W145-K155 HydrophobicContact CZ2-CD 4.32Å; D152-K155 WeakPolarHBondContact O-CB 3.46Å; D152-K155 PolarHBondContact O-N 3.18Å; D152-K155 IonicContact OD1-NZ 3.24Å; D152-K155 PolarHBondContact OD1-NZ 3.32Å; L153-K155 PolarHBondContact O-N 2.86Å
156	V	85.3	Confident	81.7	Confident	6 Å²	6	43.8 Å²	43.8	4%	0.036	22%	0.222	C	C	.	.	H	α-helix	trans	-95.7	-25.7	-176.3	-65.9	0	0	0	0	113.5	W145 L153 N158 S159 D278 Y289	W145-V156 HydrophobicContact CH2-CG1 3.9Å; W145-V156 HydrophobicContact CZ3-CG1 3.44Å; W145-V156 VanDerWaalsContact CZ3-CG1 3.44Å; L153-V156 HydrophobicContact CB-CG2 4.48Å; L153-V156 HydrophobicContact CD2-CG2 4.16Å; L153-V156 WeakPolarHBondContact O-CG2 3.48Å; L153-V156 PolarHBondContact O-N 3.5Å; V156-N158 PolarHBondContact O-N 3.34Å; V156-N158 VanDerWaalsContact O-N 3.08Å; V156-S159 PolarHBondContact O-N 2.97Å; V156-D278 HydrophobicContact CB-CB 4.02Å; V156-D278 WeakPolarHBondContact CG1-OD1 3.37Å; V156-Y289 VanDerWaalsContact CG2-OH 3.31Å; V156-Y289 WeakPolarHBondContact CG2-OH 3.38Å
157	S	80	Confident	80.9	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.021	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.6	-176	64.8	0	0	0	0	114.6	L153 R268	L153-S157 WeakPolarHBondContact O-CB 3.39Å; L153-S157 PolarHBondContact O-N 3.28Å; L153-S157 VanDerWaalsContact O-N 3.08Å; L153-S157 PolarHBondContact O-OG 3.1Å; S157-R268 VanDerWaalsContact CB-NE 3.28Å; S157-R268 PolarHBondContact OG-NE 3.27Å; S157-R268 PolarHBondContact OG-NH2 2.9Å
158	N	77.1	Confident	80.1	Confident	58 Å²	58	46.4 Å²	46.4	31%	0.31	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-7	-176.4	-66.8	6.2	0	0	0	112.4	V156 V160 L191	V156-N158 PolarHBondContact O-N 3.34Å; V156-N158 VanDerWaalsContact O-N 3.08Å; N158-V160 PolarHBondContact O-N 2.84Å; N158-L191 HydrophobicContact CB-CD2 3.94Å; N158-L191 PolarHBondContact ND2-O 2.95Å
159	S	78.1	Confident	79.4	Confident	61 Å²	61	46.9 Å²	46.9	43%	0.427	25%	0.254	S	S	.	.			trans	-82.3	61.5	176.8	-59.4	0	0	0	0	111.4	V156	V156-S159 PolarHBondContact O-N 2.97Å
160	V	67.9	Low	78.5	Confident	40 Å²	40	50.8 Å²	50.8	24%	0.242	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	121.4	-176.3	179.5	0	0	0	0	109.7	N158 A271 Y273 L274	N158-V160 PolarHBondContact O-N 2.84Å; V160-A271 HydrophobicContact CG2-CB 3.96Å; V160-Y273 CarbonylContact C-O 3.49Å; V160-Y273 WeakPolarHBondContact CA-O 3.41Å; V160-L274 HydrophobicContact CG2-CD2 4.25Å
161	L	67.4	Low	77.8	Confident	91 Å²	91	50.8 Å²	50.8	48%	0.476	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-45.3	-176.4	-68.9	172	0	0	0	112.8	Y273	L161-Y273 PolarHBondContact N-O 3.36Å
162	M	64.6	Low	77.2	Confident	44 Å²	44	51.7 Å²	51.7	22%	0.217	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	160	-174.1	-63.7	-175.2	77.2	0	0	111.2	L8 G164 Y273	L8-M162 HydrophobicContact CD2-SD 4.3Å; M162-G164 PolarHBondContact O-N 2.89Å; M162-G164 VanDerWaalsContact O-N 3.16Å; M162-Y273 PolarHBondContact O-N 3.32Å
163	Y	65.2	Low	76.8	Confident	30 Å²	30	50.4 Å²	50.4	12%	0.118	27%	0.274	C	S	.	.	S	Bend	trans	56.6	29.4	176	-52.6	-71.4	0	0	0	113.9	D168 R183 A271 Y273 E305	Y163-D168 WeakPolarHBondContact CE1-OD2 3.21Å; Y163-D168 PolarHBondContact OH-OD2 2.81Å; Y163-R183 PolarHBondContact O-NH2 2.97Å; Y163-A271 VanDerWaalsContact O-O 3.14Å; Y163-Y273 AromaticContact CD2-CD2 3.44Å; Y163-Y273 HydrophobicContact CD2-CD2 3.44Å; Y163-Y273 VanDerWaalsContact CD2-CD2 3.44Å; Y163-Y273 AromaticContact CD2-CE2 3.35Å; Y163-Y273 HydrophobicContact CD2-CE2 3.35Å; Y163-Y273 HydrophobicContact CE2-CD2 4.21Å; Y163-Y273 AromaticContact CE2-CE2 3.8Å; Y163-Y273 HydrophobicContact CE2-CE2 3.8Å; Y163-Y273 HydrophobicContact CG-CD2 4.31Å; Y163-Y273 HydrophobicContact CG-CE2 4.28Å; Y163-E305 HydrophobicContact CD1-CG 3.49Å; Y163-E305 VanDerWaalsContact CD1-CG 3.49Å; Y163-E305 WeakPolarHBondContact CD1-OE1 3.11Å; Y163-E305 HydrophobicContact CD2-CG 4.2Å; Y163-E305 HydrophobicContact CE1-CG 3.71Å; Y163-E305 HydrophobicContact CE2-CG 4.4Å; Y163-E305 HydrophobicContact CG-CG 3.69Å
164	G	65.7	Low	76.3	Confident	9 Å²	9	53.6 Å²	53.6	9%	0.093	29%	0.288	C	S	.	.	S	Bend	trans	-82.9	-95	172.4	0	0	0	0	0	110.9	M162	M162-G164 PolarHBondContact O-N 2.89Å; M162-G164 VanDerWaalsContact O-N 3.16Å
165	K	66.8	Low	76.1	Confident	125 Å²	125	61.2 Å²	61.2	54%	0.543	32%	0.32	S	S	.	.	S	Bend	trans	-87.9	-28.8	179.4	-66.7	-179.2	178.5	179.2	0	113.1	A187	K165-A187 HydrophobicContact CG-CB 4.02Å
166	E	70.2	Confident	76.4	Confident	167 Å²	167	60.5 Å²	60.5	78%	0.78	32%	0.319	S	S	*	.			trans	-109.5	144	-176.1	-64.1	-178.7	179.8	0	0	109.8
167	L	73.5	Confident	76.8	Confident	14 Å²	14	67.7 Å²	67.7	7%	0.073	35%	0.35	C	S	.	.			trans	-114.3	145.5	179.5	-56.6	177.7	0	0	0	108.4	H171 F174 Y179 R180 R183	L167-H171 HydrophobicContact CB-CB 4.11Å; L167-F174 HydrophobicContact CB-CD2 4.42Å; L167-F174 VanDerWaalsContact O-CD2 3.31Å; L167-F174 WeakPolarHBondContact O-CD2 3.43Å; L167-F174 WeakPolarHBondContact O-CE2 3.45Å; L167-Y179 HydrophobicContact CD1-CD1 3.87Å; L167-Y179 HydrophobicContact CD1-CE1 3.83Å; L167-R180 HydrophobicContact CD1-CG 3.91Å; L167-R183 VanDerWaalsContact CD2-NH1 3.31Å
168	D	75.9	Confident	77.6	Confident	46 Å²	46	73.9 Å²	73.9	25%	0.246	38%	0.379	C	S	.	.			trans	-65.2	153.9	173.7	-66	-27.6	0	0	0	111.2	Y163 D170 H171 F174	Y163-D168 WeakPolarHBondContact CE1-OD2 3.21Å; Y163-D168 PolarHBondContact OH-OD2 2.81Å; D168-D170 VanDerWaalsContact CB-OD1 3.24Å; D168-D170 WeakPolarHBondContact CB-OD1 3.34Å; D168-D170 PolarHBondContact O-N 3.22Å; D168-H171 WeakPolarHBondContact O-CB 3.47Å; D168-H171 PolarHBondContact O-N 2.86Å; D168-F174 WeakPolarHBondContact O-CB 3.11Å; D168-F174 VanDerWaalsContact O-CD2 3.26Å; D168-F174 WeakPolarHBondContact O-CD2 3.09Å
169	A	76.5	Confident	78.4	Confident	78 Å²	78	72.1 Å²	72.1	65%	0.645	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.6	-172.8	0	0	0	0	0	113.8	F174	A169-F174 HydrophobicContact CB-CE1 4.38Å; A169-F174 HydrophobicContact CB-CE2 4.48Å; A169-F174 HydrophobicContact CB-CZ 4.32Å
170	D	77.6	Confident	79	Confident	134 Å²	134	73.5 Å²	73.5	72%	0.717	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.3	176.5	65.9	-27.5	0	0	0	113.1	D168	D168-D170 VanDerWaalsContact CB-OD1 3.24Å; D168-D170 WeakPolarHBondContact CB-OD1 3.34Å; D168-D170 PolarHBondContact O-N 3.22Å
171	H	80.7	Confident	80.3	Confident	7 Å²	7	77.9 Å²	77.9	3%	0.032	38%	0.379	C	S	.	.	S	Bend	trans	-61.5	132.2	177	-175.2	-79.2	0	0	0	110.3	L167 D168 G173 F174 Y179 E305	L167-H171 HydrophobicContact CB-CB 4.11Å; D168-H171 WeakPolarHBondContact O-CB 3.47Å; D168-H171 PolarHBondContact O-N 2.86Å; H171-G173 WeakPolarHBondContact ND1-CA 3.22Å; H171-G173 PolarHBondContact ND1-N 3.04Å; H171-G173 PolarHBondContact O-N 3.49Å; H171-F174 WeakPolarHBondContact O-CB 3.19Å; H171-F174 PolarHBondContact O-N 3.31Å; H171-Y179 AromaticContact CE1-CE1 3.44Å; H171-Y179 VanDerWaalsContact CE1-CE1 3.44Å; H171-Y179 WeakPolarHBondContact CE1-CE1 3.36Å; H171-Y179 AromaticContact CE1-CZ 3.94Å; H171-E305 IonicContact CD2-OE1 2.93Å; H171-E305 PolarHBondContact CD2-OE1 3.11Å; H171-E305 IonicContact CG-OE1 3.42Å; H171-E305 IonicContact NE2-OE1 3.81Å; H171-E305 PolarHBondContact NE2-OE1 2.89Å
172	P	82.6	Confident	81.7	Confident	57 Å²	57	76 Å²	76	37%	0.37	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.9	-175.8	-27	33.3	0	0	0	114.6	H296	P172-H296 HydrophobicContact CB-CB 4.2Å
173	G	84.9	Confident	83	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.5	175.8	0	0	0	0	0	115.8	H171 K175 D176	H171-G173 WeakPolarHBondContact ND1-CA 3.22Å; H171-G173 PolarHBondContact ND1-N 3.04Å; H171-G173 PolarHBondContact O-N 3.49Å; G173-K175 VanDerWaalsContact C-N 3.3Å; G173-K175 PolarHBondContact O-N 3.36Å; G173-D176 PolarHBondContact O-N 3.04Å; G173-D176 VanDerWaalsContact O-N 3.08Å
174	F	84	Confident	84.3	Confident	68 Å²	68	77.3 Å²	77.3	30%	0.298	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-40.8	-175.4	-179.8	-103.2	0	0	0	112.6	L167 D168 A169 H171 R180	L167-F174 HydrophobicContact CB-CD2 4.42Å; L167-F174 VanDerWaalsContact O-CD2 3.31Å; L167-F174 WeakPolarHBondContact O-CD2 3.43Å; L167-F174 WeakPolarHBondContact O-CE2 3.45Å; D168-F174 WeakPolarHBondContact O-CB 3.11Å; D168-F174 VanDerWaalsContact O-CD2 3.26Å; D168-F174 WeakPolarHBondContact O-CD2 3.09Å; A169-F174 HydrophobicContact CB-CE1 4.38Å; A169-F174 HydrophobicContact CB-CE2 4.48Å; A169-F174 HydrophobicContact CB-CZ 4.32Å; H171-F174 WeakPolarHBondContact O-CB 3.19Å; H171-F174 PolarHBondContact O-N 3.31Å; F174-R180 WeakPolarHBondContact O-CD 3.16Å; F174-R180 PolarHBondContact O-NE 3.46Å; F174-R180 PolarHBondContact O-NH1 3.19Å
175	K	88.4	Confident	85.8	Confident	187 Å²	187	80.7 Å²	80.7	81%	0.813	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.5	178.5	-64.4	-175.3	179.9	177.2	0	113.5	G173 K177	G173-K175 VanDerWaalsContact C-N 3.3Å; G173-K175 PolarHBondContact O-N 3.36Å; K175-K177 PolarHBondContact O-N 3.15Å
176	D	92.9	Very high	87.2	Confident	46 Å²	46	75 Å²	75	25%	0.246	36%	0.363	C	S	.	.			trans	-83.8	105	178.2	-173.9	-21.6	0	0	0	110	G173 E178 Y179 R180 H296	G173-D176 PolarHBondContact O-N 3.04Å; G173-D176 VanDerWaalsContact O-N 3.08Å; D176-E178 VanDerWaalsContact C-N 3.33Å; D176-E178 PolarHBondContact O-N 2.92Å; D176-E178 PolarHBondContact OD1-N 3.46Å; D176-Y179 PolarHBondContact O-N 3.27Å; D176-Y179 PolarHBondContact OD1-N 3.44Å; D176-R180 WeakPolarHBondContact O-CG 3.49Å; D176-R180 PolarHBondContact O-N 2.84Å; D176-H296 IonicContact OD2-CD2 3.47Å; D176-H296 IonicContact OD2-NE2 2.72Å; D176-H296 PolarHBondContact OD2-NE2 2.76Å
177	K	93.9	Very high	88.2	Confident	157 Å²	157	67.1 Å²	67.1	68%	0.683	33%	0.327	S	S	*	.	H	α-helix	trans	-63.5	-37.4	-179.8	-67.7	-177.7	179.6	180	0	112.5	K175 K181	K175-K177 PolarHBondContact O-N 3.15Å; K177-K181 WeakPolarHBondContact O-CB 3.45Å; K177-K181 PolarHBondContact O-N 2.98Å
178	E	95.1	Very high	89.2	Confident	133 Å²	133	70.8 Å²	70.8	62%	0.621	35%	0.346	S	S	*	.	H	α-helix	trans	-72.1	-41.7	-179.8	-71.3	-57.9	132.7	0	0	110.3	D176 R180 K181 R182	D176-E178 VanDerWaalsContact C-N 3.33Å; D176-E178 PolarHBondContact O-N 2.92Å; D176-E178 PolarHBondContact OD1-N 3.46Å; E178-R180 PolarHBondContact O-N 2.97Å; E178-K181 PolarHBondContact O-N 2.88Å; E178-R182 VanDerWaalsContact O-CB 3.31Å; E178-R182 WeakPolarHBondContact O-CB 3.39Å; E178-R182 PolarHBondContact O-N 3.47Å
179	Y	94.1	Very high	90.2	Very high	21 Å²	21	69.7 Å²	69.7	8%	0.082	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-44.3	174.5	-174.4	-97.2	0	0	0	112.1	L167 H171 D176 K181 R182 R183 I294 H296	L167-Y179 HydrophobicContact CD1-CD1 3.87Å; L167-Y179 HydrophobicContact CD1-CE1 3.83Å; H171-Y179 AromaticContact CE1-CE1 3.44Å; H171-Y179 VanDerWaalsContact CE1-CE1 3.44Å; H171-Y179 WeakPolarHBondContact CE1-CE1 3.36Å; H171-Y179 AromaticContact CE1-CZ 3.94Å; D176-Y179 PolarHBondContact O-N 3.27Å; D176-Y179 PolarHBondContact OD1-N 3.44Å; Y179-K181 PolarHBondContact O-N 3.26Å; Y179-R182 WeakPolarHBondContact O-CB 3.46Å; Y179-R182 PolarHBondContact O-N 3.44Å; Y179-R183 HydrophobicContact CD1-CG 4.04Å; Y179-R183 HydrophobicContact CE1-CG 3.69Å; Y179-R183 WeakPolarHBondContact O-CG 3.49Å; Y179-R183 PolarHBondContact O-N 3.39Å; Y179-I294 WeakPolarHBondContact CE2-O 3.34Å; Y179-I294 PolarHBondContact OH-O 3.26Å; Y179-I294 VanDerWaalsContact OH-O 3.12Å; Y179-H296 HydrophobicContact CD2-CB 4.46Å; Y179-H296 AromaticContact CD2-CD2 3.68Å; Y179-H296 HydrophobicContact CE2-CB 4.07Å; Y179-H296 AromaticContact CG-CD2 3.7Å
180	R	91.9	Very high	91.1	Very high	89 Å²	89	66.2 Å²	66.2	34%	0.336	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-43.3	175.1	-72.3	-168.9	-60.3	-165.8	2.6	112.4	L167 F174 D176 E178 R182 R183 M184	L167-R180 HydrophobicContact CD1-CG 3.91Å; F174-R180 WeakPolarHBondContact O-CD 3.16Å; F174-R180 PolarHBondContact O-NE 3.46Å; F174-R180 PolarHBondContact O-NH1 3.19Å; D176-R180 WeakPolarHBondContact O-CG 3.49Å; D176-R180 PolarHBondContact O-N 2.84Å; E178-R180 PolarHBondContact O-N 2.97Å; R180-R182 VanDerWaalsContact C-N 3.31Å; R180-R182 PolarHBondContact O-N 3.2Å; R180-R183 PolarHBondContact O-N 2.93Å; R180-M184 WeakPolarHBondContact O-CG 3.47Å; R180-M184 PolarHBondContact O-N 2.9Å
181	K	94.6	Very high	91.7	Very high	133 Å²	133	61.7 Å²	61.7	58%	0.578	29%	0.287	S	S	*	.	H	α-helix	trans	-61.2	-41.9	175	-174.1	-178	176.1	-172.4	0	111.6	K177 E178 Y179 M184 M185	K177-K181 WeakPolarHBondContact O-CB 3.45Å; K177-K181 PolarHBondContact O-N 2.98Å; E178-K181 PolarHBondContact O-N 2.88Å; Y179-K181 PolarHBondContact O-N 3.26Å; K181-M184 HydrophobicContact CB-CE 4.37Å; K181-M184 PolarHBondContact O-N 3.42Å; K181-M185 PolarHBondContact O-N 3.5Å
182	R	95.7	Very high	92.4	Very high	52 Å²	52	65.9 Å²	65.9	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-41.1	176.2	-168.6	62.8	167.9	177.8	-3.3	111.7	E178 Y179 R180 M185 F186 E203 E208	E178-R182 VanDerWaalsContact O-CB 3.31Å; E178-R182 WeakPolarHBondContact O-CB 3.39Å; E178-R182 PolarHBondContact O-N 3.47Å; Y179-R182 WeakPolarHBondContact O-CB 3.46Å; Y179-R182 PolarHBondContact O-N 3.44Å; R180-R182 VanDerWaalsContact C-N 3.31Å; R180-R182 PolarHBondContact O-N 3.2Å; R182-M185 PolarHBondContact NH1-SD 2.81Å; R182-M185 WeakPolarHBondContact O-CB 3.4Å; R182-M185 PolarHBondContact O-N 3.24Å; R182-F186 HydrophobicContact CG-CD2 4.33Å; R182-F186 HydrophobicContact CG-CE2 3.8Å; R182-F186 WeakPolarHBondContact O-CD2 3.44Å; R182-F186 PolarHBondContact O-N 3.29Å; R182-E203 PolarHBondContact NH2-O 3.26Å; R182-E208 WeakPolarHBondContact CG-OE1 3.39Å; R182-E208 IonicContact CZ-OE1 2.6Å; R182-E208 IonicContact CZ-OE2 3.06Å; R182-E208 IonicContact NE-OE1 3.41Å; R182-E208 PolarHBondContact NE-OE1 3.41Å; R182-E208 IonicContact NE-OE2 3.25Å; R182-E208 IonicContact NH2-OE1 3.56Å; R182-E208 IonicContact NH2-OE2 2.77Å; R182-E208 PolarHBondContact NH2-OE2 2.85Å
183	R	93.3	Very high	93.1	Very high	3 Å²	3	64.2 Å²	64.2	1%	0.011	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-42.1	173.7	-74.1	-68.3	-65.7	-88.3	-0.6	113.3	Y163 L167 Y179 R180 M185 F186 A187 Y293 E305	Y163-R183 PolarHBondContact O-NH2 2.97Å; L167-R183 VanDerWaalsContact CD2-NH1 3.31Å; Y179-R183 HydrophobicContact CD1-CG 4.04Å; Y179-R183 HydrophobicContact CE1-CG 3.69Å; Y179-R183 WeakPolarHBondContact O-CG 3.49Å; Y179-R183 PolarHBondContact O-N 3.39Å; R180-R183 PolarHBondContact O-N 2.93Å; R183-M185 VanDerWaalsContact C-N 3.29Å; R183-M185 PolarHBondContact O-N 3.05Å; R183-F186 PolarHBondContact O-N 2.75Å; R183-A187 PolarHBondContact O-N 3.16Å; R183-Y293 VanDerWaalsContact CD-CG 3.49Å; R183-Y293 PolarHBondContact NH2-OH 2.78Å; R183-E305 IonicContact CZ-OE2 3.54Å; R183-E305 IonicContact NH1-OE1 3.98Å; R183-E305 PolarHBondContact NH1-OE1 3.38Å; R183-E305 IonicContact NH1-OE2 3.8Å; R183-E305 PolarHBondContact NH1-OE2 2.91Å; R183-E305 IonicContact NH2-OE1 2.88Å; R183-E305 IonicContact NH2-OE2 3.2Å; R183-E305 PolarHBondContact NH2-OE2 3.36Å
184	M	92.5	Very high	93.6	Very high	97 Å²	97	68.1 Å²	68.1	48%	0.478	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-37.7	175.1	-70.6	-172.2	-68.2	0	0	112.5	R180 K181 A187 D188	R180-M184 WeakPolarHBondContact O-CG 3.47Å; R180-M184 PolarHBondContact O-N 2.9Å; K181-M184 HydrophobicContact CB-CE 4.37Å; K181-M184 PolarHBondContact O-N 3.42Å; M184-A187 PolarHBondContact O-N 3.19Å; M184-D188 WeakPolarHBondContact O-CB 3.31Å; M184-D188 PolarHBondContact O-N 2.91Å
185	M	96	Very high	94.1	Very high	81 Å²	81	69.9 Å²	69.9	40%	0.399	32%	0.318	S	S	.	.	H	α-helix	trans	-60.4	-47.2	174	177.1	-163.3	167.8	0	0	111.6	K181 R182 R183 D188 I189 V202	K181-M185 PolarHBondContact O-N 3.5Å; R182-M185 PolarHBondContact NH1-SD 2.81Å; R182-M185 WeakPolarHBondContact O-CB 3.4Å; R182-M185 PolarHBondContact O-N 3.24Å; R183-M185 VanDerWaalsContact C-N 3.29Å; R183-M185 PolarHBondContact O-N 3.05Å; M185-D188 PolarHBondContact O-N 3.12Å; M185-I189 HydrophobicContact CE-CD1 4.03Å; M185-I189 HydrophobicContact CG-CD1 4.41Å; M185-I189 WeakPolarHBondContact O-CG1 3.28Å; M185-I189 PolarHBondContact O-N 2.93Å; M185-V202 HydrophobicContact CE-CG1 4.42Å
186	F	96.1	Very high	94.4	Very high	6 Å²	6	64 Å²	64	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-64.5	-40.2	177.8	-71.6	-66.5	0	0	0	112.6	R182 R183 D188 I189 A190 V202 Y204 Q292 Y293	R182-F186 HydrophobicContact CG-CD2 4.33Å; R182-F186 HydrophobicContact CG-CE2 3.8Å; R182-F186 WeakPolarHBondContact O-CD2 3.44Å; R182-F186 PolarHBondContact O-N 3.29Å; R183-F186 PolarHBondContact O-N 2.75Å; F186-D188 VanDerWaalsContact C-N 3.32Å; F186-D188 PolarHBondContact O-N 2.84Å; F186-I189 PolarHBondContact O-N 3.26Å; F186-A190 PolarHBondContact O-N 3.24Å; F186-A190 VanDerWaalsContact O-N 3.12Å; F186-V202 HydrophobicContact CD1-CG2 4.41Å; F186-V202 HydrophobicContact CE1-CB 4.25Å; F186-V202 HydrophobicContact CE1-CG1 3.67Å; F186-V202 HydrophobicContact CE1-CG2 3.95Å; F186-V202 HydrophobicContact CZ-CG1 4Å; F186-Y204 HydrophobicContact CE1-CE1 4.02Å; F186-Y204 HydrophobicContact CZ-CD1 4.28Å; F186-Y204 AromaticContact CZ-CE1 3.75Å; F186-Y204 HydrophobicContact CZ-CE1 3.75Å; F186-Q292 HydrophobicContact CD1-CB 3.45Å; F186-Q292 VanDerWaalsContact CD1-CB 3.45Å; F186-Q292 HydrophobicContact CE1-CB 3.75Å; F186-Q292 VanDerWaalsContact CE1-O 3.28Å; F186-Q292 WeakPolarHBondContact CE1-O 3.15Å; F186-Q292 HydrophobicContact CG-CB 4.39Å; F186-Y293 VanDerWaalsContact CD2-CB 3.47Å
187	A	92.4	Very high	94.6	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-41.4	175.3	0	0	0	0	0	111.6	K165 R183 M184 A190 L191 A271	K165-A187 HydrophobicContact CG-CB 4.02Å; R183-A187 PolarHBondContact O-N 3.16Å; M184-A187 PolarHBondContact O-N 3.19Å; A187-A190 PolarHBondContact O-N 2.98Å; A187-L191 WeakPolarHBondContact O-CB 3.45Å; A187-L191 VanDerWaalsContact O-CG 3.24Å; A187-L191 WeakPolarHBondContact O-CG 3.26Å; A187-L191 PolarHBondContact O-N 3.12Å; A187-A271 HydrophobicContact CB-CB 3.83Å
188	D	94.5	Very high	94.8	Very high	90 Å²	90	66.5 Å²	66.5	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-64.2	-41.3	177.3	-167.4	58.3	0	0	0	112.1	M184 M185 F186 A190 L191 N192	M184-D188 WeakPolarHBondContact O-CB 3.31Å; M184-D188 PolarHBondContact O-N 2.91Å; M185-D188 PolarHBondContact O-N 3.12Å; F186-D188 VanDerWaalsContact C-N 3.32Å; F186-D188 PolarHBondContact O-N 2.84Å; D188-A190 VanDerWaalsContact C-N 3.34Å; D188-A190 PolarHBondContact O-N 3.27Å; D188-L191 PolarHBondContact O-N 3.22Å; D188-N192 VanDerWaalsContact CG-ND2 3.31Å; D188-N192 WeakPolarHBondContact O-CB 3.41Å; D188-N192 PolarHBondContact O-N 3.34Å; D188-N192 VanDerWaalsContact O-N 3.13Å; D188-N192 PolarHBondContact O-ND2 2.84Å; D188-N192 PolarHBondContact OD1-ND2 2.68Å; D188-N192 PolarHBondContact OD2-ND2 3.15Å
189	I	96.1	Very high	94.9	Very high	24 Å²	24	60.4 Å²	60.4	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-55.7	-49.9	172.7	-71.3	165.8	0	0	0	110.8	M185 F186 N192 Y193 P200 V202	M185-I189 HydrophobicContact CE-CD1 4.03Å; M185-I189 HydrophobicContact CG-CD1 4.41Å; M185-I189 WeakPolarHBondContact O-CG1 3.28Å; M185-I189 PolarHBondContact O-N 2.93Å; F186-I189 PolarHBondContact O-N 3.26Å; I189-N192 PolarHBondContact O-N 2.84Å; I189-Y193 PolarHBondContact O-N 3.4Å; I189-Y193 VanDerWaalsContact O-N 3.09Å; I189-P200 HydrophobicContact CG2-CB 3.93Å; I189-P200 HydrophobicContact CG2-CG 3.82Å; I189-V202 HydrophobicContact CD1-CG2 3.8Å
190	A	95.3	Very high	95.1	Very high	4 Å²	4	61.8 Å²	61.8	3%	0.033	31%	0.307	C	S	.	.	H	α-helix	trans	-66.8	-41.4	-177	0	0	0	0	0	112.9	F186 A187 D188 N192 Y193 P269 V270 A271	F186-A190 PolarHBondContact O-N 3.24Å; F186-A190 VanDerWaalsContact O-N 3.12Å; A187-A190 PolarHBondContact O-N 2.98Å; D188-A190 VanDerWaalsContact C-N 3.34Å; D188-A190 PolarHBondContact O-N 3.27Å; A190-N192 VanDerWaalsContact C-N 3.3Å; A190-N192 PolarHBondContact O-N 3.3Å; A190-Y193 PolarHBondContact O-N 2.86Å; A190-P269 HydrophobicContact CB-CB 4.19Å; A190-V270 VanDerWaalsContact CB-C 3.46Å; A190-A271 HydrophobicContact CB-CB 4.04Å; A190-A271 VanDerWaalsContact CB-N 3.34Å
191	L	91.2	Very high	95.4	Very high	40 Å²	40	63 Å²	63	21%	0.209	32%	0.319	C	S	.	.	H	α-helix	trans	-67.8	-29.8	-179	-71.6	170.5	0	0	0	113	N158 A187 D188	N158-L191 HydrophobicContact CB-CD2 3.94Å; N158-L191 PolarHBondContact ND2-O 2.95Å; A187-L191 WeakPolarHBondContact O-CB 3.45Å; A187-L191 VanDerWaalsContact O-CG 3.24Å; A187-L191 WeakPolarHBondContact O-CG 3.26Å; A187-L191 PolarHBondContact O-N 3.12Å; D188-L191 PolarHBondContact O-N 3.22Å
192	N	94.9	Very high	95.5	Very high	95 Å²	95	56.8 Å²	56.8	51%	0.508	29%	0.291	S	S	.	.	H	α-helix	trans	-91.5	-13.2	179.3	-70.1	-62.9	0	0	0	113.7	D188 I189 A190 K194	D188-N192 VanDerWaalsContact CG-ND2 3.31Å; D188-N192 WeakPolarHBondContact O-CB 3.41Å; D188-N192 PolarHBondContact O-N 3.34Å; D188-N192 VanDerWaalsContact O-N 3.13Å; D188-N192 PolarHBondContact O-ND2 2.84Å; D188-N192 PolarHBondContact OD1-ND2 2.68Å; D188-N192 PolarHBondContact OD2-ND2 3.15Å; I189-N192 PolarHBondContact O-N 2.84Å; A190-N192 VanDerWaalsContact C-N 3.3Å; A190-N192 PolarHBondContact O-N 3.3Å; N192-K194 PolarHBondContact O-N 2.86Å
193	Y	96.5	Very high	95.6	Very high	21 Å²	21	62.6 Å²	62.6	8%	0.082	32%	0.321	C	S	.	.			trans	-66.5	132.6	177.1	177	-97.3	0	0	0	111.6	I189 A190 Q197 I199 R268 P269	I189-Y193 PolarHBondContact O-N 3.4Å; I189-Y193 VanDerWaalsContact O-N 3.09Å; A190-Y193 PolarHBondContact O-N 2.86Å; Y193-Q197 HydrophobicContact CD2-CB 4.32Å; Y193-Q197 HydrophobicContact CE2-CB 4.07Å; Y193-Q197 WeakPolarHBondContact CE2-O 3.42Å; Y193-Q197 PolarHBondContact OH-O 3.26Å; Y193-I199 HydrophobicContact CE2-CB 4.44Å; Y193-I199 HydrophobicContact CE2-CG1 3.86Å; Y193-R268 HydrophobicContact CD1-CG 4Å; Y193-R268 HydrophobicContact CE1-CG 3.85Å; Y193-R268 PolarHBondContact O-NH2 3.45Å; Y193-P269 HydrophobicContact CD1-CG 3.76Å; Y193-P269 HydrophobicContact CD2-CG 3.95Å; Y193-P269 HydrophobicContact CE1-CG 4.37Å; Y193-P269 HydrophobicContact CG-CG 3.5Å; Y193-P269 VanDerWaalsContact CG-CG 3.5Å
194	K	95.9	Very high	95.8	Very high	82 Å²	82	62.8 Å²	62.8	36%	0.357	32%	0.322	S	S	.	.			trans	-122.7	152	175.7	-61.2	-63.4	177.6	-175.3	0	111.9	D154 N192 G196 Q197	D154-K194 HydrophobicContact CB-CD 4.03Å; D154-K194 WeakPolarHBondContact OD1-CA 3.44Å; N192-K194 PolarHBondContact O-N 2.86Å; K194-G196 PolarHBondContact O-N 3.25Å; K194-Q197 HydrophobicContact CB-CG 4.45Å; K194-Q197 WeakPolarHBondContact O-CB 3.44Å; K194-Q197 WeakPolarHBondContact O-CG 3.38Å; K194-Q197 PolarHBondContact O-N 3.18Å; K194-Q197 VanDerWaalsContact O-N 3.16Å
195	W	94.5	Very high	96.1	Very high	105 Å²	105	61.1 Å²	61.1	40%	0.398	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	136.8	178.8	174.5	84.8	0	0	0	111.2	H149 I150 D154 Q197	H149-W195 AromaticContact CE1-CH2 3.95Å; I150-W195 HydrophobicContact CG2-CD2 4.41Å; I150-W195 HydrophobicContact CG2-CZ2 3.78Å; I150-W195 VanDerWaalsContact CG2-NE1 3.26Å; D154-W195 PolarHBondContact OD1-N 3.02Å; D154-W195 PolarHBondContact OD2-N 3.3Å; W195-Q197 VanDerWaalsContact C-N 3.33Å
196	G	94	Very high	96.2	Very high	65 Å²	65	63.2 Å²	63.2	67%	0.67	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-12.3	-178	0	0	0	0	0	114.7	K194	K194-G196 PolarHBondContact O-N 3.25Å
197	Q	97.5	Very high	96.3	Very high	101 Å²	101	67.5 Å²	67.5	47%	0.472	35%	0.348	S	S	.	.	S	Bend	trans	-77.9	157.2	171.7	-63.2	177	-20.6	0	0	111.3	Y193 K194 W195	Y193-Q197 HydrophobicContact CD2-CB 4.32Å; Y193-Q197 HydrophobicContact CE2-CB 4.07Å; Y193-Q197 WeakPolarHBondContact CE2-O 3.42Å; Y193-Q197 PolarHBondContact OH-O 3.26Å; K194-Q197 HydrophobicContact CB-CG 4.45Å; K194-Q197 WeakPolarHBondContact O-CB 3.44Å; K194-Q197 WeakPolarHBondContact O-CG 3.38Å; K194-Q197 PolarHBondContact O-N 3.18Å; K194-Q197 VanDerWaalsContact O-N 3.16Å; W195-Q197 VanDerWaalsContact C-N 3.33Å
198	Q	98	Very high	96.5	Very high	154 Å²	154	68.1 Å²	68.1	72%	0.72	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-73.1	140	163.5	-71.1	-173.5	-16.4	0	0	109.4	P200 Q253	Q198-P200 WeakPolarHBondContact O-CD 3.19Å; Q198-Q253 HydrophobicContact CB-CG 4.5Å
199	I	98.4	Very high	96.7	Very high	4 Å²	4	66 Å²	66	2%	0.021	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-64.7	125.7	174.8	-54.5	172.4	0	0	0	108	Y193 I201 L252 Q253 L267 P269	Y193-I199 HydrophobicContact CE2-CB 4.44Å; Y193-I199 HydrophobicContact CE2-CG1 3.86Å; I199-I201 PolarHBondContact O-N 3.09Å; I199-L252 HydrophobicContact CB-CB 4.46Å; I199-L252 HydrophobicContact CD1-CB 3.89Å; I199-L252 HydrophobicContact CG2-CB 3.86Å; I199-L252 HydrophobicContact CG2-CD1 4.42Å; I199-Q253 HydrophobicContact CB-CB 4.15Å; I199-L267 HydrophobicContact CD1-CB 4.15Å; I199-L267 WeakPolarHBondContact CD1-O 3.35Å; I199-P269 HydrophobicContact CG2-CB 4.38Å; I199-P269 HydrophobicContact CG2-CG 4.05Å
200	P	98	Very high	96.8	Very high	51 Å²	51	69 Å²	69	33%	0.331	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-56.8	132.4	-178	-30.7	39.8	0	0	0	112.7	I189 Q198 Q292	I189-P200 HydrophobicContact CG2-CB 3.93Å; I189-P200 HydrophobicContact CG2-CG 3.82Å; Q198-P200 WeakPolarHBondContact O-CD 3.19Å; P200-Q292 PolarHBondContact O-NE2 3.1Å
201	I	97.8	Very high	96.9	Very high	115 Å²	115	69.1 Å²	69.1	59%	0.59	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-71.7	135	174.3	-58.4	-59.7	0	0	0	108.7	I199 Q251 Q253	I199-I201 PolarHBondContact O-N 3.09Å; I201-Q251 HydrophobicContact CD1-CB 3.98Å; I201-Q251 HydrophobicContact CD1-CG 4.1Å; I201-Q251 HydrophobicContact CG2-CG 4.3Å; I201-Q253 HydrophobicContact CD1-CB 4.43Å
202	V	97.3	Very high	97.2	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.006	35%	0.347	C	S	.	.			trans	-113.3	127.4	178.1	-179.8	0	0	0	0	110.2	M185 F186 I189 Y204 Q251	M185-V202 HydrophobicContact CE-CG1 4.42Å; F186-V202 HydrophobicContact CD1-CG2 4.41Å; F186-V202 HydrophobicContact CE1-CB 4.25Å; F186-V202 HydrophobicContact CE1-CG1 3.67Å; F186-V202 HydrophobicContact CE1-CG2 3.95Å; F186-V202 HydrophobicContact CZ-CG1 4Å; I189-V202 HydrophobicContact CD1-CG2 3.8Å; V202-Y204 HydrophobicContact CB-CE2 4.16Å; V202-Y204 HydrophobicContact CG1-CD1 4.36Å; V202-Y204 HydrophobicContact CG1-CE1 4.27Å; V202-Y204 HydrophobicContact CG1-CE2 4.48Å; V202-Y204 WeakPolarHBondContact O-CD2 3.42Å; V202-Y204 PolarHBondContact O-N 3.5Å; V202-Q251 PolarHBondContact O-NE2 3.45Å
203	E	97.7	Very high	97.4	Very high	175 Å²	175	62.9 Å²	62.9	82%	0.818	33%	0.325	S	S	*	.			trans	-78.9	99.5	167.3	-172.1	176.8	-179.3	0	0	109.4	R182	R182-E203 PolarHBondContact NH2-O 3.26Å
204	Y	98.1	Very high	97.4	Very high	7 Å²	7	67.7 Å²	67.7	3%	0.027	34%	0.343	C	S	.	.			trans	-72.3	140.1	175.9	-67.8	-78.6	0	0	0	111.3	F186 V202 E208 K209 L249 Q292	F186-Y204 HydrophobicContact CE1-CE1 4.02Å; F186-Y204 HydrophobicContact CZ-CD1 4.28Å; F186-Y204 AromaticContact CZ-CE1 3.75Å; F186-Y204 HydrophobicContact CZ-CE1 3.75Å; V202-Y204 HydrophobicContact CB-CE2 4.16Å; V202-Y204 HydrophobicContact CG1-CD1 4.36Å; V202-Y204 HydrophobicContact CG1-CE1 4.27Å; V202-Y204 HydrophobicContact CG1-CE2 4.48Å; V202-Y204 WeakPolarHBondContact O-CD2 3.42Å; V202-Y204 PolarHBondContact O-N 3.5Å; Y204-E208 VanDerWaalsContact CA-OE2 3.28Å; Y204-E208 WeakPolarHBondContact CA-OE2 3.2Å; Y204-E208 HydrophobicContact CD1-CB 4.29Å; Y204-K209 VanDerWaalsContact O-CE 3.26Å; Y204-K209 WeakPolarHBondContact O-CE 3.36Å; Y204-L249 HydrophobicContact CD1-CD1 4.41Å; Y204-L249 HydrophobicContact CD1-CD2 3.86Å; Y204-L249 HydrophobicContact CD2-CB 3.63Å; Y204-L249 HydrophobicContact CD2-CD1 4.42Å; Y204-L249 HydrophobicContact CD2-CD2 4.28Å; Y204-L249 HydrophobicContact CD2-CG 4.33Å; Y204-L249 HydrophobicContact CE1-CD2 3.74Å; Y204-L249 HydrophobicContact CE2-CB 3.72Å; Y204-L249 HydrophobicContact CE2-CD2 4.17Å; Y204-L249 HydrophobicContact CG-CB 4.12Å; Y204-L249 HydrophobicContact CG-CD1 4.07Å; Y204-L249 HydrophobicContact CG-CD2 4.12Å; Y204-L249 HydrophobicContact CG-CG 4.34Å; Y204-Q292 WeakPolarHBondContact CE1-O 3.47Å; Y204-Q292 PolarHBondContact OH-O 3.26Å
205	T	98	Very high	97.4	Very high	61 Å²	61	63.9 Å²	63.9	37%	0.374	33%	0.326	S	S	.	.			trans	-73	161.7	177.2	70.7	0	0	0	0	111.3	I207 E208 K209	T205-I207 PolarHBondContact O-N 2.91Å; T205-E208 PolarHBondContact N-OE2 3.03Å; T205-E208 WeakPolarHBondContact O-CB 3.41Å; T205-E208 PolarHBondContact O-N 3.42Å; T205-E208 VanDerWaalsContact O-N 3.11Å; T205-E208 VanDerWaalsContact OG1-CG 3.26Å; T205-E208 WeakPolarHBondContact OG1-CG 3.44Å; T205-E208 PolarHBondContact OG1-N 3.44Å; T205-E208 PolarHBondContact OG1-OE2 2.72Å; T205-K209 WeakPolarHBondContact O-CG 3.15Å; T205-K209 PolarHBondContact O-N 2.68Å
206	E	98	Very high	97.6	Very high	126 Å²	126	59.3 Å²	59.3	59%	0.589	31%	0.309	S	S	*	.	H	α-helix	trans	-62	-29.6	176.8	-63.2	-56.2	117.3	0	0	113.1	K209 T210	E206-K209 IonicContact OE1-NZ 3.81Å; E206-K209 PolarHBondContact OE1-NZ 2.81Å; E206-T210 VanDerWaalsContact O-CB 3.27Å; E206-T210 WeakPolarHBondContact O-CB 3.5Å; E206-T210 PolarHBondContact O-N 3.37Å; E206-T210 PolarHBondContact O-OG1 2.95Å
207	I	97.3	Very high	97.8	Very high	96 Å²	96	63.1 Å²	63.1	49%	0.492	30%	0.303	S	S	.	.	H	α-helix	trans	-68.2	-43.2	174.7	-65.1	173.1	0	0	0	110.4	T205 T210 T211 Q297	T205-I207 PolarHBondContact O-N 2.91Å; I207-T210 PolarHBondContact O-N 3.26Å; I207-T211 WeakPolarHBondContact O-CB 3.5Å; I207-T211 PolarHBondContact O-N 3Å; I207-T211 PolarHBondContact O-OG1 3.26Å; I207-Q297 HydrophobicContact CG2-CB 3.81Å; I207-Q297 HydrophobicContact CG2-CG 3.79Å
208	E	98	Very high	97.7	Very high	14 Å²	14	60.9 Å²	60.9	7%	0.065	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-47.1	177.5	-66.8	169.2	150.1	0	0	110.2	R182 Y204 T205 T210 T211 W212 I294	R182-E208 WeakPolarHBondContact CG-OE1 3.39Å; R182-E208 IonicContact CZ-OE1 2.6Å; R182-E208 IonicContact CZ-OE2 3.06Å; R182-E208 IonicContact NE-OE1 3.41Å; R182-E208 PolarHBondContact NE-OE1 3.41Å; R182-E208 IonicContact NE-OE2 3.25Å; R182-E208 IonicContact NH2-OE1 3.56Å; R182-E208 IonicContact NH2-OE2 2.77Å; R182-E208 PolarHBondContact NH2-OE2 2.85Å; Y204-E208 VanDerWaalsContact CA-OE2 3.28Å; Y204-E208 WeakPolarHBondContact CA-OE2 3.2Å; Y204-E208 HydrophobicContact CD1-CB 4.29Å; T205-E208 PolarHBondContact N-OE2 3.03Å; T205-E208 WeakPolarHBondContact O-CB 3.41Å; T205-E208 PolarHBondContact O-N 3.42Å; T205-E208 VanDerWaalsContact O-N 3.11Å; T205-E208 VanDerWaalsContact OG1-CG 3.26Å; T205-E208 WeakPolarHBondContact OG1-CG 3.44Å; T205-E208 PolarHBondContact OG1-N 3.44Å; T205-E208 PolarHBondContact OG1-OE2 2.72Å; E208-T210 PolarHBondContact O-N 2.94Å; E208-T211 PolarHBondContact O-N 3.16Å; E208-W212 PolarHBondContact O-N 3.38Å; E208-I294 HydrophobicContact CB-CG2 3.79Å; E208-I294 HydrophobicContact CG-CG2 3.57Å; E208-I294 VanDerWaalsContact O-CD1 3.3Å; E208-I294 WeakPolarHBondContact O-CD1 3.14Å
209	K	98.3	Very high	97.7	Very high	46 Å²	46	53.6 Å²	53.6	20%	0.2	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-42.5	175.3	-66.1	177.4	-167.8	162.1	0	113	Y204 T205 E206 T211 W212 G213 D248 L249	Y204-K209 VanDerWaalsContact O-CE 3.26Å; Y204-K209 WeakPolarHBondContact O-CE 3.36Å; T205-K209 WeakPolarHBondContact O-CG 3.15Å; T205-K209 PolarHBondContact O-N 2.68Å; E206-K209 IonicContact OE1-NZ 3.81Å; E206-K209 PolarHBondContact OE1-NZ 2.81Å; K209-T211 VanDerWaalsContact C-N 3.33Å; K209-T211 PolarHBondContact O-N 3.16Å; K209-W212 PolarHBondContact O-N 3.23Å; K209-G213 PolarHBondContact O-N 3.27Å; K209-D248 VanDerWaalsContact CE-OD1 3.26Å; K209-D248 WeakPolarHBondContact CE-OD1 3.49Å; K209-L249 HydrophobicContact CB-CD1 4.28Å; K209-L249 HydrophobicContact CG-CD1 3.89Å
210	T	98.1	Very high	97.6	Very high	87 Å²	87	54.8 Å²	54.8	53%	0.534	27%	0.266	S	S	.	.	H	α-helix	trans	-63.8	-40.8	176.9	-61.2	0	0	0	0	111.5	E206 I207 E208 G213 R214	E206-T210 VanDerWaalsContact O-CB 3.27Å; E206-T210 WeakPolarHBondContact O-CB 3.5Å; E206-T210 PolarHBondContact O-N 3.37Å; E206-T210 PolarHBondContact O-OG1 2.95Å; I207-T210 PolarHBondContact O-N 3.26Å; E208-T210 PolarHBondContact O-N 2.94Å; T210-G213 PolarHBondContact O-N 2.96Å; T210-R214 WeakPolarHBondContact O-CG 3.5Å; T210-R214 PolarHBondContact O-N 3.15Å; T210-R214 VanDerWaalsContact O-N 3.14Å
211	T	97.3	Very high	97.6	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-48.1	177.4	-60.2	0	0	0	0	110.8	I207 E208 K209 G213 R214 I215 I294 R295 Q297 P300	I207-T211 WeakPolarHBondContact O-CB 3.5Å; I207-T211 PolarHBondContact O-N 3Å; I207-T211 PolarHBondContact O-OG1 3.26Å; E208-T211 PolarHBondContact O-N 3.16Å; K209-T211 VanDerWaalsContact C-N 3.33Å; K209-T211 PolarHBondContact O-N 3.16Å; T211-G213 PolarHBondContact O-N 3.39Å; T211-R214 PolarHBondContact O-N 2.68Å; T211-I215 HydrophobicContact CG2-CD1 4.04Å; T211-I215 WeakPolarHBondContact O-CD1 3.47Å; T211-I215 WeakPolarHBondContact O-CG1 3.47Å; T211-I215 PolarHBondContact O-N 3.32Å; T211-I294 HydrophobicContact CG2-CD1 3.85Å; T211-I294 HydrophobicContact CG2-CG1 4.3Å; T211-R295 HydrophobicContact CG2-CG 4.24Å; T211-Q297 WeakPolarHBondContact OG1-CB 3.38Å; T211-P300 HydrophobicContact CG2-CB 4.2Å
212	W	97.9	Very high	97.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.5	-51.6	172.9	165.4	-95.6	0	0	0	111.8	E208 K209 R214 I215 Y216 N245 D248 L249 P250 I294 L312 L313	E208-W212 PolarHBondContact O-N 3.38Å; K209-W212 PolarHBondContact O-N 3.23Å; W212-R214 VanDerWaalsContact C-N 3.31Å; W212-R214 PolarHBondContact O-N 2.96Å; W212-I215 PolarHBondContact O-N 2.85Å; W212-I215 VanDerWaalsContact O-N 3.09Å; W212-Y216 AromaticContact CE2-CD2 3.77Å; W212-Y216 HydrophobicContact CH2-CD2 4.2Å; W212-Y216 AromaticContact CZ2-CD2 3.44Å; W212-Y216 HydrophobicContact CZ2-CD2 3.44Å; W212-Y216 VanDerWaalsContact CZ2-CD2 3.44Å; W212-Y216 AromaticContact CZ2-CE2 3.91Å; W212-Y216 HydrophobicContact CZ2-CE2 3.91Å; W212-Y216 HydrophobicContact CZ2-CG 4.45Å; W212-Y216 AromaticContact NE1-CD2 3.99Å; W212-Y216 VanDerWaalsContact O-CB 3.29Å; W212-Y216 WeakPolarHBondContact O-CB 3.22Å; W212-Y216 PolarHBondContact O-N 2.8Å; W212-N245 PolarHBondContact NE1-O 2.96Å; W212-D248 PolarHBondContact NE1-O 3.45Å; W212-L249 HydrophobicContact CB-CD1 3.66Å; W212-L249 HydrophobicContact CB-CD2 4.42Å; W212-L249 HydrophobicContact CB-CG 3.83Å; W212-L249 HydrophobicContact CD2-CG 4.01Å; W212-L249 HydrophobicContact CE3-CD2 4.48Å; W212-L249 HydrophobicContact CE3-CG 4.27Å; W212-L249 HydrophobicContact CG-CD1 4.02Å; W212-L249 HydrophobicContact CG-CG 3.81Å; W212-P250 HydrophobicContact CH2-CG 4.12Å; W212-P250 VanDerWaalsContact CZ2-CD 3.48Å; W212-P250 HydrophobicContact CZ2-CG 3.97Å; W212-I294 HydrophobicContact CB-CD1 3.82Å; W212-L312 HydrophobicContact CH2-CB 4.07Å; W212-L312 HydrophobicContact CH2-CD1 4.28Å; W212-L312 HydrophobicContact CZ3-CB 4.11Å; W212-L312 HydrophobicContact CZ3-CD1 4.13Å; W212-L313 HydrophobicContact CE3-CD1 4.45Å; W212-L313 HydrophobicContact CH2-CD1 4.03Å; W212-L313 HydrophobicContact CH2-CD2 3.61Å; W212-L313 HydrophobicContact CH2-CG 3.69Å; W212-L313 HydrophobicContact CZ2-CD2 4.17Å; W212-L313 HydrophobicContact CZ3-CD1 3.89Å; W212-L313 HydrophobicContact CZ3-CD2 4.28Å; W212-L313 HydrophobicContact CZ3-CG 3.83Å
213	G	97.9	Very high	97.6	Very high	4 Å²	4	53.7 Å²	53.7	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-38.4	-176.3	0	0	0	0	0	113.5	K209 T210 T211 R217 E246	K209-G213 PolarHBondContact O-N 3.27Å; T210-G213 PolarHBondContact O-N 2.96Å; T211-G213 PolarHBondContact O-N 3.39Å; G213-R217 VanDerWaalsContact O-CB 3.28Å; G213-R217 WeakPolarHBondContact O-CB 3.16Å; G213-R217 PolarHBondContact O-N 3.15Å; G213-E246 WeakPolarHBondContact CA-O 3.44Å; G213-E246 VanDerWaalsContact O-CG 3.31Å; G213-E246 WeakPolarHBondContact O-CG 3.36Å
214	R	97.3	Very high	97.6	Very high	121 Å²	121	52.8 Å²	52.8	46%	0.457	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-44.5	174.8	-71.6	177	69.6	-171.3	0.2	112.1	T210 T211 W212 E218	T210-R214 WeakPolarHBondContact O-CG 3.5Å; T210-R214 PolarHBondContact O-N 3.15Å; T210-R214 VanDerWaalsContact O-N 3.14Å; T211-R214 PolarHBondContact O-N 2.68Å; W212-R214 VanDerWaalsContact C-N 3.31Å; W212-R214 PolarHBondContact O-N 2.96Å; R214-E218 PolarHBondContact O-N 2.82Å
215	I	96.8	Very high	97.5	Very high	2 Å²	2	57 Å²	57	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-69.3	-48.3	-179.6	-64	162	0	0	0	110	T211 W212 R217 E218 L219 R295 P300 C309 L313	T211-I215 HydrophobicContact CG2-CD1 4.04Å; T211-I215 WeakPolarHBondContact O-CD1 3.47Å; T211-I215 WeakPolarHBondContact O-CG1 3.47Å; T211-I215 PolarHBondContact O-N 3.32Å; W212-I215 PolarHBondContact O-N 2.85Å; W212-I215 VanDerWaalsContact O-N 3.09Å; I215-R217 PolarHBondContact O-N 3.39Å; I215-E218 PolarHBondContact O-N 2.95Å; I215-L219 HydrophobicContact CG2-CD1 3.53Å; I215-L219 HydrophobicContact CG2-CG 4.23Å; I215-L219 WeakPolarHBondContact O-CB 3.32Å; I215-L219 WeakPolarHBondContact O-CG 3.2Å; I215-L219 PolarHBondContact O-N 3.39Å; I215-R295 HydrophobicContact CD1-CG 4.21Å; I215-P300 HydrophobicContact CD1-CB 4.29Å; I215-P300 WeakPolarHBondContact CD1-O 3.32Å; I215-P300 HydrophobicContact CG1-CB 4.13Å; I215-P300 VanDerWaalsContact CG1-O 3.22Å; I215-P300 WeakPolarHBondContact CG1-O 3.48Å; I215-C309 HydrophobicContact CD1-CB 4.34Å; I215-C309 VanDerWaalsContact CD1-SG 3.58Å; I215-C309 HydrophobicContact CG2-CB 4.35Å; I215-L313 HydrophobicContact CG2-CD1 4.13Å
216	Y	97.9	Very high	97.5	Very high	10 Å²	10	54.7 Å²	54.7	4%	0.039	26%	0.255	C	S	.	.	H	α-helix	trans	-55.2	-49.4	179	-171.2	-85.1	0	0	0	111.5	W212 E218 T220 Q239 Y244 E246 L313	W212-Y216 AromaticContact CE2-CD2 3.77Å; W212-Y216 HydrophobicContact CH2-CD2 4.2Å; W212-Y216 AromaticContact CZ2-CD2 3.44Å; W212-Y216 HydrophobicContact CZ2-CD2 3.44Å; W212-Y216 VanDerWaalsContact CZ2-CD2 3.44Å; W212-Y216 AromaticContact CZ2-CE2 3.91Å; W212-Y216 HydrophobicContact CZ2-CE2 3.91Å; W212-Y216 HydrophobicContact CZ2-CG 4.45Å; W212-Y216 AromaticContact NE1-CD2 3.99Å; W212-Y216 VanDerWaalsContact O-CB 3.29Å; W212-Y216 WeakPolarHBondContact O-CB 3.22Å; W212-Y216 PolarHBondContact O-N 2.8Å; Y216-E218 PolarHBondContact O-N 2.66Å; Y216-T220 HydrophobicContact CD1-CG2 3.86Å; Y216-T220 HydrophobicContact CD2-CG2 4.44Å; Y216-T220 HydrophobicContact CE1-CG2 3.58Å; Y216-T220 HydrophobicContact CE2-CG2 4.2Å; Y216-T220 HydrophobicContact CG-CG2 4.28Å; Y216-T220 VanDerWaalsContact O-CB 3.31Å; Y216-T220 WeakPolarHBondContact O-CB 3.17Å; Y216-T220 VanDerWaalsContact O-CG2 3.23Å; Y216-T220 WeakPolarHBondContact O-CG2 3.33Å; Y216-T220 PolarHBondContact O-N 3.02Å; Y216-T220 PolarHBondContact O-OG1 3.29Å; Y216-Q239 VanDerWaalsContact OH-CG 3.3Å; Y216-Q239 WeakPolarHBondContact OH-CG 3.28Å; Y216-Q239 PolarHBondContact OH-NE2 2.97Å; Y216-Y244 HydrophobicContact CE2-CD1 4.3Å; Y216-Y244 PolarHBondContact OH-O 2.63Å; Y216-E246 HydrophobicContact CD1-CB 3.94Å; Y216-E246 HydrophobicContact CD1-CG 4.2Å; Y216-E246 HydrophobicContact CE1-CB 4.48Å; Y216-L313 HydrophobicContact CD2-CD1 4.38Å; Y216-L313 HydrophobicContact CD2-CD2 3.72Å; Y216-L313 HydrophobicContact CE2-CD2 3.91Å
217	R	97.7	Very high	97.5	Very high	145 Å²	145	48.7 Å²	48.7	55%	0.547	23%	0.227	S	C	.	.	H	α-helix	trans	-58.5	-46.5	-179.7	-169.4	-170.3	-60.8	162.7	1.7	112	G213 I215 T220 R221 E246	G213-R217 VanDerWaalsContact O-CB 3.28Å; G213-R217 WeakPolarHBondContact O-CB 3.16Å; G213-R217 PolarHBondContact O-N 3.15Å; I215-R217 PolarHBondContact O-N 3.39Å; R217-T220 PolarHBondContact O-OG1 2.92Å; R217-R221 PolarHBondContact O-N 3.14Å; R217-E246 HydrophobicContact CB-CG 4.24Å; R217-E246 IonicContact CZ-OE1 2.93Å; R217-E246 VanDerWaalsContact NE-CD 3.33Å; R217-E246 IonicContact NE-OE1 3.15Å; R217-E246 PolarHBondContact NE-OE1 2.93Å; R217-E246 IonicContact NE-OE2 3.38Å; R217-E246 PolarHBondContact NE-OE2 3.49Å; R217-E246 IonicContact NH2-OE1 2.91Å; R217-E246 PolarHBondContact NH2-OE1 2.93Å
218	E	96.8	Very high	97.5	Very high	53 Å²	53	44.1 Å²	44.1	25%	0.248	20%	0.204	C	C	.	.	H	α-helix	trans	-73.2	-43.8	-176.1	-169.8	56.3	-154.9	0	0	112	R214 I215 Y216 R221 L222 F301 V376	R214-E218 PolarHBondContact O-N 2.82Å; I215-E218 PolarHBondContact O-N 2.95Å; Y216-E218 PolarHBondContact O-N 2.66Å; E218-R221 WeakPolarHBondContact O-CB 3.29Å; E218-R221 PolarHBondContact O-N 3.45Å; E218-R221 IonicContact OE1-CZ 3.23Å; E218-R221 IonicContact OE1-NE 3.34Å; E218-R221 PolarHBondContact OE1-NE 2.95Å; E218-R221 IonicContact OE1-NH2 2.59Å; E218-R221 PolarHBondContact OE1-NH2 2.92Å; E218-R221 IonicContact OE2-NE 2.84Å; E218-L222 PolarHBondContact O-N 3.19Å; E218-F301 HydrophobicContact CB-CE1 4.03Å; E218-F301 HydrophobicContact CB-CZ 4.48Å; E218-F301 HydrophobicContact CG-CE1 4.3Å; E218-V376 HydrophobicContact CB-CG2 4.32Å; E218-V376 HydrophobicContact CG-CG1 4.27Å; E218-V376 HydrophobicContact CG-CG2 3.8Å
219	L	97.2	Very high	97.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-44.5	179	-72.6	177.3	0	0	0	112	I215 R221 L222 Y223 L313 V376	I215-L219 HydrophobicContact CG2-CD1 3.53Å; I215-L219 HydrophobicContact CG2-CG 4.23Å; I215-L219 WeakPolarHBondContact O-CB 3.32Å; I215-L219 WeakPolarHBondContact O-CG 3.2Å; I215-L219 PolarHBondContact O-N 3.39Å; L219-R221 PolarHBondContact O-N 3.25Å; L219-L222 PolarHBondContact O-N 3.29Å; L219-Y223 HydrophobicContact CB-CE1 4.07Å; L219-Y223 HydrophobicContact CB-CE2 3.93Å; L219-Y223 HydrophobicContact CD2-CE1 4.44Å; L219-Y223 WeakPolarHBondContact O-CD1 3.16Å; L219-Y223 WeakPolarHBondContact O-CD2 3.37Å; L219-Y223 PolarHBondContact O-N 3.49Å; L219-L313 HydrophobicContact CD1-CB 4.49Å; L219-L313 HydrophobicContact CD1-CD1 3.99Å; L219-V376 HydrophobicContact CD2-CG2 3.67Å; L219-V376 HydrophobicContact CG-CG2 4.18Å
220	T	97.2	Very high	97.4	Very high	29 Å²	29	48.5 Å²	48.5	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-27	177.8	56.5	0	0	0	0	113.5	Y216 R217 Y223 L235	Y216-T220 HydrophobicContact CD1-CG2 3.86Å; Y216-T220 HydrophobicContact CD2-CG2 4.44Å; Y216-T220 HydrophobicContact CE1-CG2 3.58Å; Y216-T220 HydrophobicContact CE2-CG2 4.2Å; Y216-T220 HydrophobicContact CG-CG2 4.28Å; Y216-T220 VanDerWaalsContact O-CB 3.31Å; Y216-T220 WeakPolarHBondContact O-CB 3.17Å; Y216-T220 VanDerWaalsContact O-CG2 3.23Å; Y216-T220 WeakPolarHBondContact O-CG2 3.33Å; Y216-T220 PolarHBondContact O-N 3.02Å; Y216-T220 PolarHBondContact O-OG1 3.29Å; R217-T220 PolarHBondContact O-OG1 2.92Å; T220-Y223 HydrophobicContact CG2-CD2 4.16Å; T220-Y223 HydrophobicContact CG2-CE2 4.25Å; T220-L235 HydrophobicContact CG2-CD2 4.25Å
221	R	97.5	Very high	97.4	Very high	131 Å²	131	44.3 Å²	44.3	49%	0.494	20%	0.199	S	C	.	.	H	α-helix	trans	-65	-46.6	169.3	-170.1	-172.4	70.1	77	-1.4	111.3	R217 E218 L219	R217-R221 PolarHBondContact O-N 3.14Å; E218-R221 WeakPolarHBondContact O-CB 3.29Å; E218-R221 PolarHBondContact O-N 3.45Å; E218-R221 IonicContact OE1-CZ 3.23Å; E218-R221 IonicContact OE1-NE 3.34Å; E218-R221 PolarHBondContact OE1-NE 2.95Å; E218-R221 IonicContact OE1-NH2 2.59Å; E218-R221 PolarHBondContact OE1-NH2 2.92Å; E218-R221 IonicContact OE2-NE 2.84Å; L219-R221 PolarHBondContact O-N 3.25Å
222	L	97.3	Very high	97.5	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-70.8	-36.6	-178.6	-67.3	173	0	0	0	113.1	E218 L219 K224 T225 S226 V376 L379	E218-L222 PolarHBondContact O-N 3.19Å; L219-L222 PolarHBondContact O-N 3.29Å; L222-K224 PolarHBondContact O-N 3.35Å; L222-K224 VanDerWaalsContact O-N 3.1Å; L222-T225 PolarHBondContact O-N 3.02Å; L222-T225 PolarHBondContact O-OG1 3.05Å; L222-T225 VanDerWaalsContact O-OG1 3.11Å; L222-S226 VanDerWaalsContact O-CB 3.3Å; L222-S226 WeakPolarHBondContact O-CB 3.49Å; L222-S226 PolarHBondContact O-N 3.34Å; L222-S226 PolarHBondContact O-OG 3.08Å; L222-V376 HydrophobicContact CD1-CB 4.37Å; L222-V376 HydrophobicContact CD1-CG1 3.93Å; L222-V376 HydrophobicContact CD1-CG2 4.28Å; L222-L379 HydrophobicContact CB-CD2 4.07Å; L222-L379 HydrophobicContact CD1-CD2 4.43Å
223	Y	98.2	Very high	97.5	Very high	3 Å²	3	53.2 Å²	53.2	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-55.3	-34.4	-176.9	-64.7	-28.1	0	0	0	113.8	L219 T220 T225 S226 A227 F231 Q232 L235 L313 L373	L219-Y223 HydrophobicContact CB-CE1 4.07Å; L219-Y223 HydrophobicContact CB-CE2 3.93Å; L219-Y223 HydrophobicContact CD2-CE1 4.44Å; L219-Y223 WeakPolarHBondContact O-CD1 3.16Å; L219-Y223 WeakPolarHBondContact O-CD2 3.37Å; L219-Y223 PolarHBondContact O-N 3.49Å; T220-Y223 HydrophobicContact CG2-CD2 4.16Å; T220-Y223 HydrophobicContact CG2-CE2 4.25Å; Y223-T225 PolarHBondContact O-N 3.27Å; Y223-T225 VanDerWaalsContact O-N 3.13Å; Y223-S226 PolarHBondContact O-N 3.37Å; Y223-A227 HydrophobicContact CD1-CB 4.06Å; Y223-A227 HydrophobicContact CG-CB 4.27Å; Y223-A227 WeakPolarHBondContact O-CB 3.48Å; Y223-A227 PolarHBondContact O-N 3.19Å; Y223-F231 AromaticContact CD1-CE1 3.94Å; Y223-F231 HydrophobicContact CD1-CE1 3.94Å; Y223-F231 HydrophobicContact CD1-CZ 4.38Å; Y223-F231 AromaticContact CD2-CE1 3.55Å; Y223-F231 HydrophobicContact CD2-CE1 3.55Å; Y223-F231 HydrophobicContact CD2-CZ 4.13Å; Y223-F231 HydrophobicContact CE1-CE1 4.05Å; Y223-F231 HydrophobicContact CE1-CZ 4.02Å; Y223-F231 AromaticContact CE2-CE1 3.67Å; Y223-F231 HydrophobicContact CE2-CE1 3.67Å; Y223-F231 AromaticContact CE2-CZ 3.75Å; Y223-F231 HydrophobicContact CE2-CZ 3.75Å; Y223-F231 HydrophobicContact CG-CD1 4.47Å; Y223-F231 AromaticContact CG-CE1 3.69Å; Y223-F231 HydrophobicContact CG-CE1 3.69Å; Y223-F231 HydrophobicContact CG-CZ 4.43Å; Y223-F231 AromaticContact CZ-CE1 3.89Å; Y223-F231 AromaticContact CZ-CZ 3.67Å; Y223-Q232 PolarHBondContact O-NE2 2.93Å; Y223-L235 HydrophobicContact CD2-CD2 3.56Å; Y223-L235 HydrophobicContact CE2-CD2 4.01Å; Y223-L313 PolarHBondContact OH-O 3.46Å; Y223-L373 HydrophobicContact CD1-CD2 3.89Å; Y223-L373 HydrophobicContact CE1-CB 4.09Å; Y223-L373 HydrophobicContact CE1-CD2 3.77Å; Y223-L373 WeakPolarHBondContact CE1-O 3.44Å; Y223-L373 VanDerWaalsContact CZ-O 3.26Å; Y223-L373 PolarHBondContact OH-O 3.4Å
224	K	96.9	Very high	97.5	Very high	157 Å²	157	53.1 Å²	53.1	68%	0.683	24%	0.237	S	C	*	.	H	α-helix	trans	-54	-34.9	179.2	-62.6	-179.8	-176.8	179.8	0	112.7	L222	L222-K224 PolarHBondContact O-N 3.35Å; L222-K224 VanDerWaalsContact O-N 3.1Å
225	T	96.2	Very high	97.6	Very high	94 Å²	94	47.9 Å²	47.9	58%	0.577	22%	0.218	S	C	*	.	H	α-helix	trans	-104.6	-26.5	-179.7	51.1	0	0	0	0	113.1	L222 Y223 K366	L222-T225 PolarHBondContact O-N 3.02Å; L222-T225 PolarHBondContact O-OG1 3.05Å; L222-T225 VanDerWaalsContact O-OG1 3.11Å; Y223-T225 PolarHBondContact O-N 3.27Å; Y223-T225 VanDerWaalsContact O-N 3.13Å; T225-K366 PolarHBondContact O-NZ 2.98Å
226	S	97.3	Very high	97.6	Very high	14 Å²	14	49.3 Å²	49.3	10%	0.098	23%	0.233	C	C	.	.	H	α-helix	trans	-108.5	-30.6	-164.5	-60.3	0	0	0	0	114.4	L222 Y223 K366 A367 L383	L222-S226 VanDerWaalsContact O-CB 3.3Å; L222-S226 WeakPolarHBondContact O-CB 3.49Å; L222-S226 PolarHBondContact O-N 3.34Å; L222-S226 PolarHBondContact O-OG 3.08Å; Y223-S226 PolarHBondContact O-N 3.37Å; S226-K366 CarbonylContact O-C 3.35Å; S226-K366 WeakPolarHBondContact O-CA 3.39Å; S226-A367 PolarHBondContact O-N 2.85Å; S226-L383 VanDerWaalsContact CB-CD1 3.43Å
227	A	98.1	Very high	97.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-86.4	151.5	-176.6	0	0	0	0	0	112	Y223 F231 Q232 L373	Y223-A227 HydrophobicContact CD1-CB 4.06Å; Y223-A227 HydrophobicContact CG-CB 4.27Å; Y223-A227 WeakPolarHBondContact O-CB 3.48Å; Y223-A227 PolarHBondContact O-N 3.19Å; A227-F231 HydrophobicContact CB-CB 4.24Å; A227-F231 HydrophobicContact CB-CD1 3.52Å; A227-F231 HydrophobicContact CB-CE1 4.15Å; A227-F231 HydrophobicContact CB-CG 4.04Å; A227-Q232 HydrophobicContact CB-CG 4.07Å; A227-Q232 PolarHBondContact O-NE2 3.13Å; A227-L373 HydrophobicContact CB-CD2 3.63Å
228	C	97.2	Very high	97.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.			trans	-66	160.8	176.1	69.7	0	0	0	0	112.7	E230 F231 Q232 M318 C359 Q361 K366 A367	C228-E230 VanDerWaalsContact C-N 3.32Å; C228-E230 PolarHBondContact O-N 3.02Å; C228-F231 WeakPolarHBondContact O-CB 3.26Å; C228-F231 PolarHBondContact O-N 2.83Å; C228-Q232 WeakPolarHBondContact O-CG 3.45Å; C228-Q232 PolarHBondContact O-N 3.05Å; C228-Q232 VanDerWaalsContact O-N 3.1Å; C228-M318 VanDerWaalsContact SG-SD 3.69Å; C228-C359 VanDerWaalsContact CB-SG 3.55Å; C228-Q361 VanDerWaalsContact CA-OE1 3.25Å; C228-K366 HydrophobicContact CB-CB 4.12Å; C228-A367 PolarHBondContact N-O 3.45Å
229	H	97.1	Very high	97.8	Very high	118 Å²	118	45.4 Å²	45.4	55%	0.546	22%	0.222	S	C	.	.	H	α-helix	trans	-57.8	-42.2	-177.9	177.9	67.5	0	0	0	112.9	F231 Q232 K233	H229-F231 PolarHBondContact O-N 3.36Å; H229-Q232 PolarHBondContact O-N 2.8Å; H229-K233 VanDerWaalsContact O-CB 3.31Å; H229-K233 WeakPolarHBondContact O-CB 3.28Å; H229-K233 PolarHBondContact O-N 3.44Å
230	E	97.4	Very high	97.8	Very high	33 Å²	33	51.3 Å²	51.3	15%	0.154	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-45.8	179.6	-67.6	81.9	173.1	0	0	111.2	C228 N234 M318 D321 Q361 F417	C228-E230 VanDerWaalsContact C-N 3.32Å; C228-E230 PolarHBondContact O-N 3.02Å; E230-N234 WeakPolarHBondContact O-CB 3.29Å; E230-N234 PolarHBondContact O-N 3.48Å; E230-N234 PolarHBondContact O-ND2 3.19Å; E230-M318 HydrophobicContact CB-CE 4.32Å; E230-M318 HydrophobicContact CB-SD 4.45Å; E230-D321 HydrophobicContact CB-CB 4.43Å; E230-Q361 PolarHBondContact OE2-NE2 3.31Å; E230-F417 HydrophobicContact CB-CE2 4.31Å; E230-F417 HydrophobicContact CG-CE2 3.95Å
231	F	98.4	Very high	97.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-53.1	175.4	-178.8	-83.5	0	0	0	110.9	Y223 A227 C228 H229 K233 N234 L235 L313 P317 M318 L373	Y223-F231 AromaticContact CD1-CE1 3.94Å; Y223-F231 HydrophobicContact CD1-CE1 3.94Å; Y223-F231 HydrophobicContact CD1-CZ 4.38Å; Y223-F231 AromaticContact CD2-CE1 3.55Å; Y223-F231 HydrophobicContact CD2-CE1 3.55Å; Y223-F231 HydrophobicContact CD2-CZ 4.13Å; Y223-F231 HydrophobicContact CE1-CE1 4.05Å; Y223-F231 HydrophobicContact CE1-CZ 4.02Å; Y223-F231 AromaticContact CE2-CE1 3.67Å; Y223-F231 HydrophobicContact CE2-CE1 3.67Å; Y223-F231 AromaticContact CE2-CZ 3.75Å; Y223-F231 HydrophobicContact CE2-CZ 3.75Å; Y223-F231 HydrophobicContact CG-CD1 4.47Å; Y223-F231 AromaticContact CG-CE1 3.69Å; Y223-F231 HydrophobicContact CG-CE1 3.69Å; Y223-F231 HydrophobicContact CG-CZ 4.43Å; Y223-F231 AromaticContact CZ-CE1 3.89Å; Y223-F231 AromaticContact CZ-CZ 3.67Å; A227-F231 HydrophobicContact CB-CB 4.24Å; A227-F231 HydrophobicContact CB-CD1 3.52Å; A227-F231 HydrophobicContact CB-CE1 4.15Å; A227-F231 HydrophobicContact CB-CG 4.04Å; C228-F231 WeakPolarHBondContact O-CB 3.26Å; C228-F231 PolarHBondContact O-N 2.83Å; H229-F231 PolarHBondContact O-N 3.36Å; F231-K233 VanDerWaalsContact C-N 3.34Å; F231-K233 PolarHBondContact O-N 3.42Å; F231-N234 PolarHBondContact O-N 3.3Å; F231-L235 HydrophobicContact CE1-CB 4.34Å; F231-L235 HydrophobicContact CE1-CD2 3.99Å; F231-L235 WeakPolarHBondContact O-CB 3.41Å; F231-L235 PolarHBondContact O-N 2.7Å; F231-L313 WeakPolarHBondContact CE2-O 3.11Å; F231-L313 WeakPolarHBondContact CZ-O 3.4Å; F231-P317 HydrophobicContact CD2-CB 3.59Å; F231-P317 HydrophobicContact CD2-CG 4.06Å; F231-P317 HydrophobicContact CE2-CB 3.59Å; F231-P317 HydrophobicContact CE2-CG 3.49Å; F231-P317 VanDerWaalsContact CE2-CG 3.49Å; F231-P317 HydrophobicContact CG-CB 4.14Å; F231-P317 HydrophobicContact CZ-CB 4.14Å; F231-P317 HydrophobicContact CZ-CG 3.81Å; F231-M318 HydrophobicContact CB-SD 3.71Å; F231-M318 HydrophobicContact CD2-CG 4.09Å; F231-M318 HydrophobicContact CD2-SD 4.24Å; F231-L373 HydrophobicContact CD2-CD1 3.26Å; F231-L373 HydrophobicContact CD2-CG 4.38Å; F231-L373 HydrophobicContact CE2-CB 4.17Å; F231-L373 HydrophobicContact CE2-CD1 3.38Å; F231-L373 HydrophobicContact CE2-CD2 4.42Å; F231-L373 HydrophobicContact CE2-CG 4.19Å; F231-L373 HydrophobicContact CG-CD1 3.98Å; F231-L373 HydrophobicContact CZ-CB 4.41Å; F231-L373 HydrophobicContact CZ-CD1 4.17Å; F231-L373 HydrophobicContact CZ-CD2 4.43Å
232	Q	98.4	Very high	97.8	Very high	70 Å²	70	50.1 Å²	50.1	33%	0.327	25%	0.25	S	S	.	.	H	α-helix	trans	-61.7	-42.2	-176.7	-67.7	-175.1	60.2	0	0	112	Y223 A227 C228 H229 L235 G236	Y223-Q232 PolarHBondContact O-NE2 2.93Å; A227-Q232 HydrophobicContact CB-CG 4.07Å; A227-Q232 PolarHBondContact O-NE2 3.13Å; C228-Q232 WeakPolarHBondContact O-CG 3.45Å; C228-Q232 PolarHBondContact O-N 3.05Å; C228-Q232 VanDerWaalsContact O-N 3.1Å; H229-Q232 PolarHBondContact O-N 2.8Å; Q232-L235 PolarHBondContact O-N 3.35Å; Q232-G236 PolarHBondContact O-N 3.12Å; Q232-G236 VanDerWaalsContact O-N 3.11Å
233	K	98.2	Very high	97.7	Very high	123 Å²	123	51.6 Å²	51.6	54%	0.535	27%	0.268	S	S	.	.	H	α-helix	trans	-59	-48.2	175.5	174.6	-179.1	174	-175.7	0	111.3	H229 F231 G236 L237	H229-K233 VanDerWaalsContact O-CB 3.31Å; H229-K233 WeakPolarHBondContact O-CB 3.28Å; H229-K233 PolarHBondContact O-N 3.44Å; F231-K233 VanDerWaalsContact C-N 3.34Å; F231-K233 PolarHBondContact O-N 3.42Å; K233-G236 PolarHBondContact O-N 2.97Å; K233-L237 HydrophobicContact CG-CD1 4.27Å; K233-L237 WeakPolarHBondContact O-CD1 3.42Å; K233-L237 WeakPolarHBondContact O-CG 3.42Å; K233-L237 PolarHBondContact O-N 3.21Å
234	N	98.6	Very high	97.7	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-74.3	-32.2	-177.2	-72.1	-28.1	0	0	0	112.7	E230 F231 G236 L237 L238 R262 P317 A320 D321	E230-N234 WeakPolarHBondContact O-CB 3.29Å; E230-N234 PolarHBondContact O-N 3.48Å; E230-N234 PolarHBondContact O-ND2 3.19Å; F231-N234 PolarHBondContact O-N 3.3Å; N234-G236 VanDerWaalsContact C-N 3.33Å; N234-G236 PolarHBondContact O-N 2.93Å; N234-L237 WeakPolarHBondContact O-CB 3.31Å; N234-L237 PolarHBondContact O-N 3.12Å; N234-L237 VanDerWaalsContact O-N 3.17Å; N234-L238 WeakPolarHBondContact O-CG 3.46Å; N234-L238 PolarHBondContact O-N 2.94Å; N234-R262 PolarHBondContact OD1-NH2 3.08Å; N234-P317 HydrophobicContact CB-CB 4.35Å; N234-P317 WeakPolarHBondContact CB-O 3.32Å; N234-P317 PolarHBondContact ND2-O 2.78Å; N234-A320 HydrophobicContact CB-CB 3.99Å; N234-A320 VanDerWaalsContact ND2-C 3.34Å; N234-D321 PolarHBondContact ND2-N 3.42Å; N234-D321 VanDerWaalsContact ND2-N 3.18Å
235	L	98.6	Very high	97.7	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.063	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-45.3	170.6	179.4	63.1	0	0	0	111.2	T220 Y223 F231 Q232 L237 L238 Q239 Y244	T220-L235 HydrophobicContact CG2-CD2 4.25Å; Y223-L235 HydrophobicContact CD2-CD2 3.56Å; Y223-L235 HydrophobicContact CE2-CD2 4.01Å; F231-L235 HydrophobicContact CE1-CB 4.34Å; F231-L235 HydrophobicContact CE1-CD2 3.99Å; F231-L235 WeakPolarHBondContact O-CB 3.41Å; F231-L235 PolarHBondContact O-N 2.7Å; Q232-L235 PolarHBondContact O-N 3.35Å; L235-L237 PolarHBondContact O-N 2.71Å; L235-L238 PolarHBondContact O-N 3.09Å; L235-L238 VanDerWaalsContact O-N 3.13Å; L235-Q239 WeakPolarHBondContact O-CG 3.37Å; L235-Q239 PolarHBondContact O-N 2.92Å; L235-Y244 HydrophobicContact CD1-CD1 3.92Å; L235-Y244 HydrophobicContact CD1-CE1 4.46Å
236	G	98.4	Very high	97.8	Very high	32 Å²	32	44.6 Å²	44.6	33%	0.33	23%	0.233	S	C	.	.	H	α-helix	trans	-58.5	-35.9	175.4	0	0	0	0	0	113.2	Q232 K233 N234 Q239 D240	Q232-G236 PolarHBondContact O-N 3.12Å; Q232-G236 VanDerWaalsContact O-N 3.11Å; K233-G236 PolarHBondContact O-N 2.97Å; N234-G236 VanDerWaalsContact C-N 3.33Å; N234-G236 PolarHBondContact O-N 2.93Å; G236-Q239 PolarHBondContact O-N 3.01Å; G236-D240 PolarHBondContact O-N 3.1Å; G236-D240 VanDerWaalsContact O-N 3.14Å
237	L	98.5	Very high	97.8	Very high	38 Å²	38	51.7 Å²	51.7	20%	0.199	26%	0.262	C	S	.	.	H	α-helix	trans	-73.7	-34.6	176.8	-67.5	156.5	0	0	0	112.7	K233 N234 L235 Q239 D240 K241 F258	K233-L237 HydrophobicContact CG-CD1 4.27Å; K233-L237 WeakPolarHBondContact O-CD1 3.42Å; K233-L237 WeakPolarHBondContact O-CG 3.42Å; K233-L237 PolarHBondContact O-N 3.21Å; N234-L237 WeakPolarHBondContact O-CB 3.31Å; N234-L237 PolarHBondContact O-N 3.12Å; N234-L237 VanDerWaalsContact O-N 3.17Å; L235-L237 PolarHBondContact O-N 2.71Å; L237-Q239 VanDerWaalsContact C-N 3.33Å; L237-D240 PolarHBondContact O-N 2.84Å; L237-K241 WeakPolarHBondContact O-CB 3.41Å; L237-K241 WeakPolarHBondContact O-CG 3.38Å; L237-K241 PolarHBondContact O-N 3.16Å; L237-F258 HydrophobicContact CB-CE2 4.14Å; L237-F258 HydrophobicContact CB-CZ 3.83Å
238	L	98.6	Very high	97.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.8	-35.7	173.7	-72.8	160.6	0	0	0	111.3	N234 L235 A242 G243 Y244 V255 F258 V316 P317	N234-L238 WeakPolarHBondContact O-CG 3.46Å; N234-L238 PolarHBondContact O-N 2.94Å; L235-L238 PolarHBondContact O-N 3.09Å; L235-L238 VanDerWaalsContact O-N 3.13Å; L238-A242 HydrophobicContact CB-CB 4.43Å; L238-A242 HydrophobicContact CD2-CB 3.73Å; L238-A242 CarbonylContact O-C 3.59Å; L238-A242 WeakPolarHBondContact O-CA 3.23Å; L238-A242 WeakPolarHBondContact O-CB 3.35Å; L238-A242 PolarHBondContact O-N 3.42Å; L238-G243 PolarHBondContact O-N 3.37Å; L238-Y244 HydrophobicContact CB-CD1 4.1Å; L238-Y244 HydrophobicContact CB-CD2 3.85Å; L238-Y244 HydrophobicContact CB-CE1 4.4Å; L238-Y244 HydrophobicContact CB-CE2 4.17Å; L238-Y244 HydrophobicContact CB-CG 3.82Å; L238-Y244 HydrophobicContact CD1-CE1 4.17Å; L238-Y244 HydrophobicContact CD2-CD2 4.42Å; L238-Y244 HydrophobicContact CD2-CE2 4.01Å; L238-Y244 HydrophobicContact CG-CE2 4.48Å; L238-Y244 PolarHBondContact O-N 2.83Å; L238-V255 HydrophobicContact CD2-CG1 4.47Å; L238-F258 HydrophobicContact CD2-CD1 3.39Å; L238-F258 HydrophobicContact CD2-CE1 3.4Å; L238-F258 VanDerWaalsContact CD2-CE1 3.4Å; L238-F258 HydrophobicContact CD2-CG 4.05Å; L238-F258 HydrophobicContact CD2-CZ 4.07Å; L238-F258 HydrophobicContact CG-CD1 4.27Å; L238-F258 HydrophobicContact CG-CE1 3.77Å; L238-F258 HydrophobicContact CG-CZ 4.12Å; L238-V316 HydrophobicContact CD1-CG1 3.83Å; L238-V316 HydrophobicContact CD2-CG1 3.91Å; L238-P317 HydrophobicContact CD1-CB 4.07Å; L238-P317 HydrophobicContact CD1-CG 3.8Å
239	Q	98.2	Very high	97.7	Very high	88 Å²	88	55.1 Å²	55.1	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-44.5	173.5	-70.7	173.8	-47.1	0	0	111.6	Y216 L235 G236 L237 Y244	Y216-Q239 VanDerWaalsContact OH-CG 3.3Å; Y216-Q239 WeakPolarHBondContact OH-CG 3.28Å; Y216-Q239 PolarHBondContact OH-NE2 2.97Å; L235-Q239 WeakPolarHBondContact O-CG 3.37Å; L235-Q239 PolarHBondContact O-N 2.92Å; G236-Q239 PolarHBondContact O-N 3.01Å; L237-Q239 VanDerWaalsContact C-N 3.33Å; Q239-Y244 WeakPolarHBondContact CA-O 3.42Å; Q239-Y244 WeakPolarHBondContact CG-O 3.46Å
240	D	97.6	Very high	97.8	Very high	125 Å²	125	49.7 Å²	49.7	67%	0.668	26%	0.256	S	S	*	.	H	α-helix	trans	-70.7	-40.6	179.2	-178.9	54	0	0	0	112.9	G236 L237	G236-D240 PolarHBondContact O-N 3.1Å; G236-D240 VanDerWaalsContact O-N 3.14Å; L237-D240 PolarHBondContact O-N 2.84Å
241	K	97.4	Very high	97.8	Very high	132 Å²	132	49.8 Å²	49.8	57%	0.574	26%	0.256	S	S	*	.	H	α-helix	trans	-118.4	-16.2	-163.9	-54.6	-166.9	179.1	-166.8	0	116.2	L237 F258	L237-K241 WeakPolarHBondContact O-CB 3.41Å; L237-K241 WeakPolarHBondContact O-CG 3.38Å; L237-K241 PolarHBondContact O-N 3.16Å; K241-F258 HydrophobicContact CB-CD2 4Å; K241-F258 HydrophobicContact CB-CE2 4.07Å; K241-F258 HydrophobicContact CD-CE2 4.42Å
242	A	97.4	Very high	97.8	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.017	26%	0.256	C	S	.	.	S	Bend	trans	-125.9	15.8	-173.1	0	0	0	0	0	113.1	L238 Y244 V254 F258	L238-A242 HydrophobicContact CB-CB 4.43Å; L238-A242 HydrophobicContact CD2-CB 3.73Å; L238-A242 CarbonylContact O-C 3.59Å; L238-A242 WeakPolarHBondContact O-CA 3.23Å; L238-A242 WeakPolarHBondContact O-CB 3.35Å; L238-A242 PolarHBondContact O-N 3.42Å; A242-Y244 VanDerWaalsContact C-N 3.32Å; A242-Y244 HydrophobicContact CB-CD2 4.37Å; A242-Y244 PolarHBondContact O-N 3.42Å; A242-V254 HydrophobicContact CB-CG1 4.44Å; A242-F258 HydrophobicContact CB-CB 4.19Å; A242-F258 HydrophobicContact CB-CD2 4.43Å; A242-F258 HydrophobicContact CB-CG 4.25Å
243	G	94.6	Very high	97.8	Very high	41 Å²	41	47.7 Å²	47.7	42%	0.423	25%	0.246	S	C	.	.			trans	74.6	14.9	172.1	0	0	0	0	0	115	L238 N245	L238-G243 PolarHBondContact O-N 3.37Å; G243-N245 PolarHBondContact O-N 3.07Å; G243-N245 VanDerWaalsContact O-N 3.14Å; G243-N245 PolarHBondContact O-ND2 3.48Å
244	Y	98.4	Very high	97.8	Very high	4 Å²	4	45 Å²	45	2%	0.016	24%	0.24	C	C	.	.			trans	-67.1	115.7	177.1	-84.7	-132.3	0	0	0	110.4	Y216 L235 L238 Q239 A242 P250 V255 L312 L313 V316	Y216-Y244 HydrophobicContact CE2-CD1 4.3Å; Y216-Y244 PolarHBondContact OH-O 2.63Å; L235-Y244 HydrophobicContact CD1-CD1 3.92Å; L235-Y244 HydrophobicContact CD1-CE1 4.46Å; L238-Y244 HydrophobicContact CB-CD1 4.1Å; L238-Y244 HydrophobicContact CB-CD2 3.85Å; L238-Y244 HydrophobicContact CB-CE1 4.4Å; L238-Y244 HydrophobicContact CB-CE2 4.17Å; L238-Y244 HydrophobicContact CB-CG 3.82Å; L238-Y244 HydrophobicContact CD1-CE1 4.17Å; L238-Y244 HydrophobicContact CD2-CD2 4.42Å; L238-Y244 HydrophobicContact CD2-CE2 4.01Å; L238-Y244 HydrophobicContact CG-CE2 4.48Å; L238-Y244 PolarHBondContact O-N 2.83Å; Q239-Y244 WeakPolarHBondContact CA-O 3.42Å; Q239-Y244 WeakPolarHBondContact CG-O 3.46Å; A242-Y244 VanDerWaalsContact C-N 3.32Å; A242-Y244 HydrophobicContact CB-CD2 4.37Å; A242-Y244 PolarHBondContact O-N 3.42Å; Y244-P250 HydrophobicContact CD1-CG 4.49Å; Y244-P250 HydrophobicContact CD2-CB 3.79Å; Y244-P250 HydrophobicContact CD2-CG 3.31Å; Y244-P250 HydrophobicContact CE2-CB 3.62Å; Y244-P250 HydrophobicContact CE2-CG 3.43Å; Y244-P250 VanDerWaalsContact CE2-CG 3.43Å; Y244-P250 HydrophobicContact CG-CG 3.89Å; Y244-V255 HydrophobicContact CE2-CG2 3.81Å; Y244-L312 HydrophobicContact CE1-CB 4.42Å; Y244-L312 WeakPolarHBondContact CE1-O 3.35Å; Y244-L312 WeakPolarHBondContact OH-CA 2.88Å; Y244-L312 WeakPolarHBondContact OH-CB 2.93Å; Y244-L312 PolarHBondContact OH-O 3.16Å; Y244-L313 HydrophobicContact CD1-CD2 4.22Å; Y244-L313 HydrophobicContact CE1-CD2 4.08Å; Y244-V316 WeakPolarHBondContact OH-CG1 3.14Å
245	N	97.9	Very high	97.8	Very high	55 Å²	55	45 Å²	45	29%	0.294	24%	0.24	S	C	.	.			trans	-156.4	175.4	174.8	69.6	87	0	0	0	109.8	W212 G243 F247 D248	W212-N245 PolarHBondContact NE1-O 2.96Å; G243-N245 PolarHBondContact O-N 3.07Å; G243-N245 VanDerWaalsContact O-N 3.14Å; G243-N245 PolarHBondContact O-ND2 3.48Å; N245-F247 VanDerWaalsContact C-N 3.34Å; N245-F247 WeakPolarHBondContact OD1-CA 3.44Å; N245-F247 WeakPolarHBondContact OD1-CB 3.41Å; N245-F247 PolarHBondContact OD1-N 3.22Å; N245-D248 PolarHBondContact OD1-N 3.24Å
246	E	97.8	Very high	97.8	Very high	48 Å²	48	44.8 Å²	44.8	22%	0.224	24%	0.239	C	C	.	.	S	Bend	trans	-76.8	-20.2	-177	-160.3	-170.5	129.5	0	0	113.7	G213 Y216 R217	G213-E246 WeakPolarHBondContact CA-O 3.44Å; G213-E246 VanDerWaalsContact O-CG 3.31Å; G213-E246 WeakPolarHBondContact O-CG 3.36Å; Y216-E246 HydrophobicContact CD1-CB 3.94Å; Y216-E246 HydrophobicContact CD1-CG 4.2Å; Y216-E246 HydrophobicContact CE1-CB 4.48Å; R217-E246 HydrophobicContact CB-CG 4.24Å; R217-E246 IonicContact CZ-OE1 2.93Å; R217-E246 VanDerWaalsContact NE-CD 3.33Å; R217-E246 IonicContact NE-OE1 3.15Å; R217-E246 PolarHBondContact NE-OE1 2.93Å; R217-E246 IonicContact NE-OE2 3.38Å; R217-E246 PolarHBondContact NE-OE2 3.49Å; R217-E246 IonicContact NH2-OE1 2.91Å; R217-E246 PolarHBondContact NH2-OE1 2.93Å
247	F	97.6	Very high	97.8	Very high	164 Å²	164	47.1 Å²	47.1	72%	0.719	25%	0.245	S	C	*	.	S	Bend	trans	-96.3	-19.3	-166.6	-50.8	-71.6	0	0	0	113.9	N245	N245-F247 VanDerWaalsContact C-N 3.34Å; N245-F247 WeakPolarHBondContact OD1-CA 3.44Å; N245-F247 WeakPolarHBondContact OD1-CB 3.41Å; N245-F247 PolarHBondContact OD1-N 3.22Å
248	D	96.2	Very high	97.8	Very high	67 Å²	67	46.2 Å²	46.2	36%	0.358	24%	0.239	S	C	.	.	S	Bend	trans	-147.5	151.4	-178.6	-155.4	9.6	0	0	0	112.6	K209 W212 N245	K209-D248 VanDerWaalsContact CE-OD1 3.26Å; K209-D248 WeakPolarHBondContact CE-OD1 3.49Å; W212-D248 PolarHBondContact NE1-O 3.45Å; N245-D248 PolarHBondContact OD1-N 3.24Å
249	L	97.2	Very high	97.9	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-80.8	132.2	178.8	-77.9	89.2	0	0	0	110.8	Y204 K209 W212 Q251 I294	Y204-L249 HydrophobicContact CD1-CD1 4.41Å; Y204-L249 HydrophobicContact CD1-CD2 3.86Å; Y204-L249 HydrophobicContact CD2-CB 3.63Å; Y204-L249 HydrophobicContact CD2-CD1 4.42Å; Y204-L249 HydrophobicContact CD2-CD2 4.28Å; Y204-L249 HydrophobicContact CD2-CG 4.33Å; Y204-L249 HydrophobicContact CE1-CD2 3.74Å; Y204-L249 HydrophobicContact CE2-CB 3.72Å; Y204-L249 HydrophobicContact CE2-CD2 4.17Å; Y204-L249 HydrophobicContact CG-CB 4.12Å; Y204-L249 HydrophobicContact CG-CD1 4.07Å; Y204-L249 HydrophobicContact CG-CD2 4.12Å; Y204-L249 HydrophobicContact CG-CG 4.34Å; K209-L249 HydrophobicContact CB-CD1 4.28Å; K209-L249 HydrophobicContact CG-CD1 3.89Å; W212-L249 HydrophobicContact CB-CD1 3.66Å; W212-L249 HydrophobicContact CB-CD2 4.42Å; W212-L249 HydrophobicContact CB-CG 3.83Å; W212-L249 HydrophobicContact CD2-CG 4.01Å; W212-L249 HydrophobicContact CE3-CD2 4.48Å; W212-L249 HydrophobicContact CE3-CG 4.27Å; W212-L249 HydrophobicContact CG-CD1 4.02Å; W212-L249 HydrophobicContact CG-CG 3.81Å; L249-Q251 PolarHBondContact O-N 3.33Å; L249-I294 HydrophobicContact CD2-CD1 4.25Å
250	P	98	Very high	97.9	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.026	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-61.5	134.7	172.3	-21.8	32.3	0	0	0	112.2	W212 Y244 V255 L312	W212-P250 HydrophobicContact CH2-CG 4.12Å; W212-P250 VanDerWaalsContact CZ2-CD 3.48Å; W212-P250 HydrophobicContact CZ2-CG 3.97Å; Y244-P250 HydrophobicContact CD1-CG 4.49Å; Y244-P250 HydrophobicContact CD2-CB 3.79Å; Y244-P250 HydrophobicContact CD2-CG 3.31Å; Y244-P250 HydrophobicContact CE2-CB 3.62Å; Y244-P250 HydrophobicContact CE2-CG 3.43Å; Y244-P250 VanDerWaalsContact CE2-CG 3.43Å; Y244-P250 HydrophobicContact CG-CG 3.89Å; P250-V255 HydrophobicContact CB-CG2 3.69Å; P250-L312 HydrophobicContact CB-CD1 4.24Å; P250-L312 HydrophobicContact CG-CD1 4.26Å
251	Q	98.1	Very high	97.9	Very high	34 Å²	34	46 Å²	46	16%	0.159	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-79.1	131.7	173.9	-64.1	-64.8	-32.8	0	0	110.7	I201 V202 L249 Q253 V254 V255	I201-Q251 HydrophobicContact CD1-CB 3.98Å; I201-Q251 HydrophobicContact CD1-CG 4.1Å; I201-Q251 HydrophobicContact CG2-CG 4.3Å; V202-Q251 PolarHBondContact O-NE2 3.45Å; L249-Q251 PolarHBondContact O-N 3.33Å; Q251-Q253 PolarHBondContact O-N 2.93Å; Q251-Q253 VanDerWaalsContact O-N 3.14Å; Q251-V254 HydrophobicContact CB-CG2 4.26Å; Q251-V254 PolarHBondContact O-N 3.4Å; Q251-V255 WeakPolarHBondContact O-CG2 3.48Å; Q251-V255 PolarHBondContact O-N 2.89Å
252	L	98.3	Very high	97.9	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-56.7	-35.3	-175.3	-66.1	-160.5	0	0	0	113.6	I199 V254 V255 S256 L267 C290 Q292 L312	I199-L252 HydrophobicContact CB-CB 4.46Å; I199-L252 HydrophobicContact CD1-CB 3.89Å; I199-L252 HydrophobicContact CG2-CB 3.86Å; I199-L252 HydrophobicContact CG2-CD1 4.42Å; L252-V254 PolarHBondContact O-N 2.88Å; L252-V255 PolarHBondContact O-N 3.21Å; L252-S256 WeakPolarHBondContact O-CB 3.43Å; L252-S256 PolarHBondContact O-N 2.79Å; L252-L267 HydrophobicContact CB-CD1 4.41Å; L252-L267 HydrophobicContact CD2-CD1 4.03Å; L252-C290 HydrophobicContact CD1-CB 4.1Å; L252-Q292 HydrophobicContact CD1-CG 3.28Å; L252-Q292 HydrophobicContact CG-CG 3.77Å; L252-L312 HydrophobicContact CD2-CD2 3.82Å
253	Q	98.4	Very high	98	Very high	25 Å²	25	44.1 Å²	44.1	12%	0.117	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-47	177.6	-177.2	55.8	50.9	0	0	111.6	Q198 I199 I201 Q251 V255 S256 D257	Q198-Q253 HydrophobicContact CB-CG 4.5Å; I199-Q253 HydrophobicContact CB-CB 4.15Å; I201-Q253 HydrophobicContact CD1-CB 4.43Å; Q251-Q253 PolarHBondContact O-N 2.93Å; Q251-Q253 VanDerWaalsContact O-N 3.14Å; Q253-V255 VanDerWaalsContact C-N 3.33Å; Q253-V255 PolarHBondContact O-N 3.36Å; Q253-S256 PolarHBondContact O-N 3.06Å; Q253-D257 PolarHBondContact NE2-OD1 3.34Å; Q253-D257 PolarHBondContact NE2-OD2 3.36Å; Q253-D257 VanDerWaalsContact O-CG 3.3Å; Q253-D257 PolarHBondContact O-N 3.05Å
254	V	98.5	Very high	98.1	Very high	67 Å²	67	43.8 Å²	43.8	41%	0.406	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-43	179.5	179.2	0	0	0	0	110.6	A242 Q251 L252 D257 F258	A242-V254 HydrophobicContact CB-CG1 4.44Å; Q251-V254 HydrophobicContact CB-CG2 4.26Å; Q251-V254 PolarHBondContact O-N 3.4Å; L252-V254 PolarHBondContact O-N 2.88Å; V254-D257 PolarHBondContact O-N 3.01Å; V254-F258 PolarHBondContact O-N 3.47Å
255	V	98.7	Very high	98.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68.1	-39.6	178.4	-176.2	0	0	0	0	111.5	L238 Y244 P250 Q251 L252 Q253 F258 L259 L267 L312 V316	L238-V255 HydrophobicContact CD2-CG1 4.47Å; Y244-V255 HydrophobicContact CE2-CG2 3.81Å; P250-V255 HydrophobicContact CB-CG2 3.69Å; Q251-V255 WeakPolarHBondContact O-CG2 3.48Å; Q251-V255 PolarHBondContact O-N 2.89Å; L252-V255 PolarHBondContact O-N 3.21Å; Q253-V255 VanDerWaalsContact C-N 3.33Å; Q253-V255 PolarHBondContact O-N 3.36Å; V255-F258 WeakPolarHBondContact O-CB 3.42Å; V255-F258 PolarHBondContact O-N 3.47Å; V255-L259 HydrophobicContact CG1-CD1 4.48Å; V255-L259 WeakPolarHBondContact O-CG 3.33Å; V255-L259 PolarHBondContact O-N 3.42Å; V255-L267 HydrophobicContact CB-CD1 3.91Å; V255-L267 HydrophobicContact CG1-CD1 3.76Å; V255-L312 HydrophobicContact CG1-CD2 4.35Å; V255-L312 HydrophobicContact CG2-CD2 4.31Å; V255-V316 HydrophobicContact CG1-CB 4.39Å; V255-V316 HydrophobicContact CG1-CG1 3.45Å; V255-V316 VanDerWaalsContact CG1-CG1 3.45Å; V255-V316 HydrophobicContact CG1-CG2 4.04Å
256	S	98.7	Very high	98.2	Very high	8 Å²	8	42.1 Å²	42.1	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-44.3	175.6	-174.6	0	0	0	0	111.3	L252 Q253 F258 L259 K260 C266 L267	L252-S256 WeakPolarHBondContact O-CB 3.43Å; L252-S256 PolarHBondContact O-N 2.79Å; Q253-S256 PolarHBondContact O-N 3.06Å; S256-F258 VanDerWaalsContact C-N 3.34Å; S256-F258 PolarHBondContact O-N 2.85Å; S256-L259 PolarHBondContact O-N 2.85Å; S256-K260 VanDerWaalsContact O-CB 3.29Å; S256-K260 WeakPolarHBondContact O-CB 3.44Å; S256-K260 PolarHBondContact O-N 3.35Å; S256-C266 WeakPolarHBondContact OG-CA 3.5Å; S256-L267 PolarHBondContact OG-N 3.49Å
257	D	98.6	Very high	98.2	Very high	82 Å²	82	40 Å²	40	44%	0.439	22%	0.218	S	C	.	.	H	α-helix	trans	-64.1	-40.2	177.1	-69.2	-29.6	0	0	0	111.6	Q253 V254 K260 A261	Q253-D257 PolarHBondContact NE2-OD1 3.34Å; Q253-D257 PolarHBondContact NE2-OD2 3.36Å; Q253-D257 VanDerWaalsContact O-CG 3.3Å; Q253-D257 PolarHBondContact O-N 3.05Å; V254-D257 PolarHBondContact O-N 3.01Å; D257-K260 PolarHBondContact O-N 2.86Å; D257-A261 WeakPolarHBondContact O-CB 3.47Å; D257-A261 PolarHBondContact O-N 2.85Å
258	F	98.7	Very high	98.2	Very high	19 Å²	19	32.5 Å²	32.5	8%	0.083	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-50.7	172.6	173.7	-89.5	0	0	0	111.9	L237 L238 K241 A242 V254 V255 S256 K260 A261 R262 A320	L237-F258 HydrophobicContact CB-CE2 4.14Å; L237-F258 HydrophobicContact CB-CZ 3.83Å; L238-F258 HydrophobicContact CD2-CD1 3.39Å; L238-F258 HydrophobicContact CD2-CE1 3.4Å; L238-F258 VanDerWaalsContact CD2-CE1 3.4Å; L238-F258 HydrophobicContact CD2-CG 4.05Å; L238-F258 HydrophobicContact CD2-CZ 4.07Å; L238-F258 HydrophobicContact CG-CD1 4.27Å; L238-F258 HydrophobicContact CG-CE1 3.77Å; L238-F258 HydrophobicContact CG-CZ 4.12Å; K241-F258 HydrophobicContact CB-CD2 4Å; K241-F258 HydrophobicContact CB-CE2 4.07Å; K241-F258 HydrophobicContact CD-CE2 4.42Å; A242-F258 HydrophobicContact CB-CB 4.19Å; A242-F258 HydrophobicContact CB-CD2 4.43Å; A242-F258 HydrophobicContact CB-CG 4.25Å; V254-F258 PolarHBondContact O-N 3.47Å; V255-F258 WeakPolarHBondContact O-CB 3.42Å; V255-F258 PolarHBondContact O-N 3.47Å; S256-F258 VanDerWaalsContact C-N 3.34Å; S256-F258 PolarHBondContact O-N 2.85Å; F258-K260 VanDerWaalsContact C-N 3.3Å; F258-K260 PolarHBondContact O-N 3.07Å; F258-A261 PolarHBondContact O-N 3.06Å; F258-R262 HydrophobicContact CD1-CG 4.35Å; F258-R262 HydrophobicContact CE1-CG 4.02Å; F258-R262 HydrophobicContact CE2-CG 4.29Å; F258-R262 HydrophobicContact CZ-CG 4Å; F258-R262 WeakPolarHBondContact O-CG 3.45Å; F258-R262 PolarHBondContact O-N 3.29Å; F258-R262 VanDerWaalsContact O-N 3.17Å; F258-A320 HydrophobicContact CE1-CB 3.84Å
259	L	98.8	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-41	178.6	-74.7	176.9	0	0	0	111.6	V255 S256 A261 R262 T263 G264 F265 L267 V316 L319 A320	V255-L259 HydrophobicContact CG1-CD1 4.48Å; V255-L259 WeakPolarHBondContact O-CG 3.33Å; V255-L259 PolarHBondContact O-N 3.42Å; S256-L259 PolarHBondContact O-N 2.85Å; L259-A261 VanDerWaalsContact C-N 3.32Å; L259-A261 PolarHBondContact O-N 2.85Å; L259-R262 PolarHBondContact O-N 3.1Å; L259-T263 PolarHBondContact O-N 2.95Å; L259-T263 PolarHBondContact O-OG1 3.3Å; L259-G264 PolarHBondContact O-N 3.18Å; L259-F265 CarbonylContact C-O 3.59Å; L259-F265 HydrophobicContact CB-CB 4.18Å; L259-F265 WeakPolarHBondContact CB-O 3.35Å; L259-L267 HydrophobicContact CD1-CD2 3.62Å; L259-L267 HydrophobicContact CD1-CG 4.01Å; L259-V316 HydrophobicContact CD1-CG1 4.19Å; L259-V316 HydrophobicContact CD1-CG2 4.39Å; L259-V316 HydrophobicContact CD2-CG1 4.21Å; L259-V316 HydrophobicContact CG-CG1 4.31Å; L259-L319 HydrophobicContact CD1-CB 4.45Å; L259-L319 HydrophobicContact CD2-CB 3.94Å; L259-A320 HydrophobicContact CD2-CB 3.86Å
260	K	98.3	Very high	98.2	Very high	116 Å²	116	29.3 Å²	29.3	50%	0.504	17%	0.168	S	C	.	.	H	α-helix	trans	-62.6	-43.2	-178.9	-171.1	178.4	-173.4	176	0	110.7	S256 D257 F258 R262 G264 F265	S256-K260 VanDerWaalsContact O-CB 3.29Å; S256-K260 WeakPolarHBondContact O-CB 3.44Å; S256-K260 PolarHBondContact O-N 3.35Å; D257-K260 PolarHBondContact O-N 2.86Å; F258-K260 VanDerWaalsContact C-N 3.3Å; F258-K260 PolarHBondContact O-N 3.07Å; K260-R262 PolarHBondContact O-N 3.47Å; K260-G264 VanDerWaalsContact O-CA 3.28Å; K260-G264 WeakPolarHBondContact O-CA 3.3Å; K260-G264 PolarHBondContact O-N 2.71Å; K260-F265 WeakPolarHBondContact CA-O 3.43Å; K260-F265 PolarHBondContact N-O 3.48Å
261	A	98.2	Very high	97.9	Very high	91 Å²	91	29.3 Å²	29.3	75%	0.752	17%	0.168	S	C	*	.	H	α-helix	trans	-66.3	-24.6	175.8	0	0	0	0	0	113.5	D257 F258 L259	D257-A261 WeakPolarHBondContact O-CB 3.47Å; D257-A261 PolarHBondContact O-N 2.85Å; F258-A261 PolarHBondContact O-N 3.06Å; L259-A261 VanDerWaalsContact C-N 3.32Å; L259-A261 PolarHBondContact O-N 2.85Å
262	R	97.8	Very high	97.3	Very high	85 Å²	85	27.7 Å²	27.7	32%	0.321	16%	0.161	S	C	.	.	H	α-helix	trans	-92.8	-48.4	-175.1	-71.8	-62.9	-60.1	-105	-18.9	114	N234 F258 L259 K260 A320	N234-R262 PolarHBondContact OD1-NH2 3.08Å; F258-R262 HydrophobicContact CD1-CG 4.35Å; F258-R262 HydrophobicContact CE1-CG 4.02Å; F258-R262 HydrophobicContact CE2-CG 4.29Å; F258-R262 HydrophobicContact CZ-CG 4Å; F258-R262 WeakPolarHBondContact O-CG 3.45Å; F258-R262 PolarHBondContact O-N 3.29Å; F258-R262 VanDerWaalsContact O-N 3.17Å; L259-R262 PolarHBondContact O-N 3.1Å; K260-R262 PolarHBondContact O-N 3.47Å; R262-A320 PolarHBondContact NH2-O 2.87Å
263	T	98.4	Very high	96.6	Very high	10 Å²	10	29.5 Å²	29.5	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-137.3	2.8	-172.1	59.7	0	0	0	0	112.2	L259 F265 R286 L319 A320 P322 A325	L259-T263 PolarHBondContact O-N 2.95Å; L259-T263 PolarHBondContact O-OG1 3.3Å; T263-F265 PolarHBondContact O-N 2.85Å; T263-R286 VanDerWaalsContact O-CD 3.31Å; T263-R286 WeakPolarHBondContact O-CD 3.21Å; T263-R286 PolarHBondContact O-NH1 3.22Å; T263-L319 WeakPolarHBondContact CB-O 3.34Å; T263-L319 VanDerWaalsContact CG2-O 3.29Å; T263-L319 WeakPolarHBondContact CG2-O 3.5Å; T263-L319 PolarHBondContact OG1-O 3.45Å; T263-A320 WeakPolarHBondContact CG2-O 3.45Å; T263-P322 HydrophobicContact CG2-CG 4.3Å; T263-A325 HydrophobicContact CG2-CB 3.92Å
264	G	98.2	Very high	96	Very high	35 Å²	35	28.3 Å²	28.3	36%	0.361	16%	0.162	S	C	.	.	S	Bend	trans	73	2.4	-173.6	0	0	0	0	0	113.8	L259 K260	L259-G264 PolarHBondContact O-N 3.18Å; K260-G264 VanDerWaalsContact O-CA 3.28Å; K260-G264 WeakPolarHBondContact O-CA 3.3Å; K260-G264 PolarHBondContact O-N 2.71Å
265	F	98.6	Very high	95.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.			trans	-69.3	141.4	171.2	-103.5	-95.7	0	0	0	111.1	L259 K260 T263 L283 R286 F288 L319 A325	L259-F265 CarbonylContact C-O 3.59Å; L259-F265 HydrophobicContact CB-CB 4.18Å; L259-F265 WeakPolarHBondContact CB-O 3.35Å; K260-F265 WeakPolarHBondContact CA-O 3.43Å; K260-F265 PolarHBondContact N-O 3.48Å; T263-F265 PolarHBondContact O-N 2.85Å; F265-L283 HydrophobicContact CE1-CD2 4.19Å; F265-L283 HydrophobicContact CZ-CD2 4.5Å; F265-R286 CarbonylContact C-O 3.56Å; F265-R286 WeakPolarHBondContact CA-O 3.31Å; F265-R286 HydrophobicContact CB-CB 4.44Å; F265-R286 HydrophobicContact CD1-CB 4.17Å; F265-R286 VanDerWaalsContact CD1-O 3.28Å; F265-R286 WeakPolarHBondContact CD1-O 3.39Å; F265-R286 HydrophobicContact CD2-CB 3.54Å; F265-R286 HydrophobicContact CD2-CG 3.77Å; F265-R286 HydrophobicContact CE1-CB 4.29Å; F265-R286 HydrophobicContact CE2-CB 3.67Å; F265-R286 HydrophobicContact CE2-CG 3.6Å; F265-R286 HydrophobicContact CG-CB 3.8Å; F265-R286 HydrophobicContact CZ-CB 4.06Å; F265-R286 HydrophobicContact CZ-CG 4.24Å; F265-F288 HydrophobicContact CD1-CB 4.14Å; F265-F288 HydrophobicContact CE1-CB 4.24Å; F265-L319 HydrophobicContact CD1-CD1 4.15Å; F265-L319 HydrophobicContact CD1-CD2 3.95Å; F265-L319 HydrophobicContact CD1-CG 4.49Å; F265-L319 HydrophobicContact CD2-CD2 4.4Å; F265-L319 HydrophobicContact CE1-CD1 4.45Å; F265-L319 HydrophobicContact CE1-CD2 3.74Å; F265-L319 HydrophobicContact CE2-CD2 4.22Å; F265-L319 HydrophobicContact CG-CD2 4.28Å; F265-L319 HydrophobicContact CZ-CD2 3.89Å; F265-A325 HydrophobicContact CD2-CB 3.82Å; F265-A325 HydrophobicContact CE2-CB 3.91Å
266	C	98.2	Very high	95	Very high	24 Å²	24	27.2 Å²	27.2	16%	0.162	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	153.7	172.5	-60.2	0	0	0	0	109.3	S256 R286 V287 F288	S256-C266 WeakPolarHBondContact OG-CA 3.5Å; C266-R286 PolarHBondContact N-O 3.28Å; C266-V287 WeakPolarHBondContact O-CA 3.1Å; C266-F288 PolarHBondContact O-N 3.29Å
267	L	98.4	Very high	94.7	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	149.9	171.2	-55.9	-175.6	0	0	0	110.1	I199 L252 V255 S256 L259 F288 C290 V316	I199-L267 HydrophobicContact CD1-CB 4.15Å; I199-L267 WeakPolarHBondContact CD1-O 3.35Å; L252-L267 HydrophobicContact CB-CD1 4.41Å; L252-L267 HydrophobicContact CD2-CD1 4.03Å; V255-L267 HydrophobicContact CB-CD1 3.91Å; V255-L267 HydrophobicContact CG1-CD1 3.76Å; S256-L267 PolarHBondContact OG-N 3.49Å; L259-L267 HydrophobicContact CD1-CD2 3.62Å; L259-L267 HydrophobicContact CD1-CG 4.01Å; L267-F288 CarbonylContact C-O 3.56Å; L267-F288 WeakPolarHBondContact CA-O 3.5Å; L267-F288 HydrophobicContact CD2-CB 4.12Å; L267-F288 HydrophobicContact CD2-CD1 4.05Å; L267-C290 HydrophobicContact CB-CB 4.4Å; L267-C290 HydrophobicContact CD2-CB 4.37Å; L267-V316 HydrophobicContact CD1-CG2 4.45Å; L267-V316 HydrophobicContact CD2-CG2 4.4Å
268	R	98	Very high	94.4	Very high	7 Å²	7	25.7 Å²	25.7	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.1	169.6	176	171.2	-178.2	96.4	9.6	108.8	D154 S157 Y193 V270 V287 F288 Y289 C290	D154-R268 IonicContact OD1-CZ 2.74Å; D154-R268 IonicContact OD1-NH1 3.13Å; D154-R268 PolarHBondContact OD1-NH1 3.28Å; D154-R268 IonicContact OD1-NH2 2.97Å; D154-R268 PolarHBondContact OD1-NH2 3.27Å; S157-R268 VanDerWaalsContact CB-NE 3.28Å; S157-R268 PolarHBondContact OG-NE 3.27Å; S157-R268 PolarHBondContact OG-NH2 2.9Å; Y193-R268 HydrophobicContact CD1-CG 4Å; Y193-R268 HydrophobicContact CE1-CG 3.85Å; Y193-R268 PolarHBondContact O-NH2 3.45Å; R268-V270 PolarHBondContact O-N 3.45Å; R268-V287 HydrophobicContact CB-CG1 3.67Å; R268-F288 PolarHBondContact N-O 2.94Å; R268-Y289 HydrophobicContact CB-CD1 4.28Å; R268-Y289 HydrophobicContact CG-CD1 4.14Å; R268-Y289 HydrophobicContact CG-CE1 4.32Å; R268-Y289 CarbonylContact O-C 3.5Å; R268-Y289 WeakPolarHBondContact O-CA 3.34Å; R268-C290 PolarHBondContact O-N 3.44Å
269	P	97.6	Very high	94.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	135.9	175.5	27.3	-35.3	0	0	0	110	A190 Y193 I199 C290	A190-P269 HydrophobicContact CB-CB 4.19Å; Y193-P269 HydrophobicContact CD1-CG 3.76Å; Y193-P269 HydrophobicContact CD2-CG 3.95Å; Y193-P269 HydrophobicContact CE1-CG 4.37Å; Y193-P269 HydrophobicContact CG-CG 3.5Å; Y193-P269 VanDerWaalsContact CG-CG 3.5Å; I199-P269 HydrophobicContact CG2-CB 4.38Å; I199-P269 HydrophobicContact CG2-CG 4.05Å; P269-C290 VanDerWaalsContact CA-O 3.3Å; P269-C290 WeakPolarHBondContact CA-O 3.48Å
270	V	95.7	Very high	94.1	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.024	14%	0.143	C	C	.	.			trans	-131.1	142.8	174.9	73	0	0	0	0	109.6	M1 A190 R268 G272 L274 Y289 C290 T291	M1-V270 HydrophobicContact CE-CG1 3.73Å; M1-V270 HydrophobicContact SD-CG1 3.95Å; A190-V270 VanDerWaalsContact CB-C 3.46Å; R268-V270 PolarHBondContact O-N 3.45Å; V270-G272 WeakPolarHBondContact CG2-O 3.46Å; V270-L274 HydrophobicContact CG2-CD1 4.01Å; V270-L274 HydrophobicContact CG2-CD2 3.9Å; V270-L274 HydrophobicContact CG2-CG 3.81Å; V270-Y289 HydrophobicContact CB-CD1 4.29Å; V270-Y289 HydrophobicContact CG2-CD1 4.36Å; V270-C290 PolarHBondContact N-O 2.82Å; V270-T291 HydrophobicContact CG1-CG2 3.95Å
271	A	90.7	Very high	94	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.033	12%	0.12	C	C	.	.	S	Bend	trans	-75.9	-26.4	-175.5	0	0	0	0	0	112.8	V160 Y163 A187 A190	V160-A271 HydrophobicContact CG2-CB 3.96Å; Y163-A271 VanDerWaalsContact O-O 3.14Å; A187-A271 HydrophobicContact CB-CB 3.83Å; A190-A271 HydrophobicContact CB-CB 4.04Å; A190-A271 VanDerWaalsContact CB-N 3.34Å
272	G	87	Confident	94	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-178.3	-151.7	-175.1	0	0	0	0	0	111.2	V270	V270-G272 WeakPolarHBondContact CG2-O 3.46Å
273	Y	83	Confident	94	Very high	38 Å²	38	11 Å²	11	15%	0.149	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.6	-176.8	-78.3	-106.7	0	0	0	112.2	M1 V160 L161 M162 Y163 P304 P306	M1-Y273 HydrophobicContact CG-CD1 4.37Å; V160-Y273 CarbonylContact C-O 3.49Å; V160-Y273 WeakPolarHBondContact CA-O 3.41Å; L161-Y273 PolarHBondContact N-O 3.36Å; M162-Y273 PolarHBondContact O-N 3.32Å; Y163-Y273 AromaticContact CD2-CD2 3.44Å; Y163-Y273 HydrophobicContact CD2-CD2 3.44Å; Y163-Y273 VanDerWaalsContact CD2-CD2 3.44Å; Y163-Y273 AromaticContact CD2-CE2 3.35Å; Y163-Y273 HydrophobicContact CD2-CE2 3.35Å; Y163-Y273 HydrophobicContact CE2-CD2 4.21Å; Y163-Y273 AromaticContact CE2-CE2 3.8Å; Y163-Y273 HydrophobicContact CE2-CE2 3.8Å; Y163-Y273 HydrophobicContact CG-CD2 4.31Å; Y163-Y273 HydrophobicContact CG-CE2 4.28Å; Y273-P304 PolarHBondContact OH-O 3.44Å; Y273-P306 HydrophobicContact CE2-CG 3.91Å; Y273-P306 VanDerWaalsContact CZ-CD 3.41Å; Y273-P306 VanDerWaalsContact OH-CD 3.29Å; Y273-P306 WeakPolarHBondContact OH-CD 3.33Å
274	L	85.2	Confident	94	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	165.9	167.1	-59.9	179.3	0	0	0	110.7	V160 V270 D278 F279 Y289	V160-L274 HydrophobicContact CG2-CD2 4.25Å; V270-L274 HydrophobicContact CG2-CD1 4.01Å; V270-L274 HydrophobicContact CG2-CD2 3.9Å; V270-L274 HydrophobicContact CG2-CG 3.81Å; L274-D278 HydrophobicContact CB-CB 4.18Å; L274-F279 HydrophobicContact CB-CB 4.27Å; L274-Y289 HydrophobicContact CD1-CD1 3.66Å; L274-Y289 HydrophobicContact CD1-CD2 3.72Å; L274-Y289 HydrophobicContact CD1-CE1 3.7Å; L274-Y289 HydrophobicContact CD1-CE2 3.76Å; L274-Y289 HydrophobicContact CD1-CG 3.66Å
275	S	87.1	Confident	94	Very high	31 Å²	31	9 Å²	9	22%	0.217	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-60	152.2	166.6	81.1	0	0	0	0	110.6	R277 D278 F279	S275-R277 PolarHBondContact O-N 2.85Å; S275-D278 PolarHBondContact O-N 3.03Å; S275-D278 VanDerWaalsContact O-N 3.14Å; S275-D278 WeakPolarHBondContact OG-CB 3.37Å; S275-D278 PolarHBondContact OG-N 3.23Å; S275-D278 VanDerWaalsContact OG-N 3.1Å; S275-D278 PolarHBondContact OG-OD2 3.16Å; S275-F279 PolarHBondContact O-N 3.02Å
276	A	89	Confident	94	Very high	13 Å²	13	12.1 Å²	12.1	11%	0.107	6%	0.061	C	C	.	.	H	α-helix	trans	-51.4	-43.7	175.7	0	0	0	0	0	111.9	I2 L280 I343 A347	I2-A276 HydrophobicContact CG2-CB 3.36Å; A276-L280 VanDerWaalsContact O-CB 3.24Å; A276-L280 WeakPolarHBondContact O-CB 3.12Å; A276-L280 WeakPolarHBondContact O-CG 3.4Å; A276-L280 PolarHBondContact O-N 2.96Å; A276-I343 HydrophobicContact CB-CG2 3.53Å; A276-A347 HydrophobicContact CB-CB 4.29Å
277	R	93.7	Very high	94	Very high	33 Å²	33	11.4 Å²	11.4	13%	0.125	6%	0.056	C	C	.	.	H	α-helix	trans	-61.4	-49.5	178.8	178.6	177.9	-64.6	-75.1	6.2	111.4	E133 S275 S281 T338 D340 I343	E133-R277 IonicContact OE1-NH2 2.89Å; E133-R277 PolarHBondContact OE1-NH2 3.19Å; S275-R277 PolarHBondContact O-N 2.85Å; R277-S281 VanDerWaalsContact O-CB 3.28Å; R277-S281 WeakPolarHBondContact O-CB 3.46Å; R277-S281 PolarHBondContact O-N 3.42Å; R277-T338 VanDerWaalsContact CZ-O 3.24Å; R277-T338 PolarHBondContact NH1-O 2.89Å; R277-T338 PolarHBondContact NH2-O 2.72Å; R277-D340 IonicContact CZ-OD1 2.78Å; R277-D340 IonicContact NE-OD1 3.71Å; R277-D340 PolarHBondContact NE-OD1 3.49Å; R277-D340 IonicContact NH2-OD1 2.82Å; R277-D340 PolarHBondContact NH2-OD1 2.93Å; R277-I343 HydrophobicContact CB-CD1 4.35Å; R277-I343 HydrophobicContact CB-CG1 4.33Å; R277-I343 HydrophobicContact CB-CG2 4.28Å; R277-I343 HydrophobicContact CG-CD1 4.4Å
278	D	91.2	Very high	94	Very high	25 Å²	25	11.3 Å²	11.3	13%	0.134	6%	0.055	C	C	.	.	H	α-helix	trans	-67.5	-44.7	-176.3	-65.8	-34.6	0	0	0	111.5	V156 L274 S275 S281 G282	V156-D278 HydrophobicContact CB-CB 4.02Å; V156-D278 WeakPolarHBondContact CG1-OD1 3.37Å; L274-D278 HydrophobicContact CB-CB 4.18Å; S275-D278 PolarHBondContact O-N 3.03Å; S275-D278 VanDerWaalsContact O-N 3.14Å; S275-D278 WeakPolarHBondContact OG-CB 3.37Å; S275-D278 PolarHBondContact OG-N 3.23Å; S275-D278 VanDerWaalsContact OG-N 3.1Å; S275-D278 PolarHBondContact OG-OD2 3.16Å; D278-S281 PolarHBondContact O-N 2.95Å; D278-S281 PolarHBondContact O-OG 3.18Å; D278-G282 PolarHBondContact O-N 3.3Å
279	F	94.5	Very high	94	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.3	-52.6	177.1	-177.5	-95	0	0	0	111.6	M1 I2 L274 S275 S281 G282 L283 F288 Y289 Y350	M1-F279 HydrophobicContact CB-CD2 3.84Å; M1-F279 HydrophobicContact CB-CE2 3.62Å; M1-F279 HydrophobicContact CB-CG 4.39Å; M1-F279 HydrophobicContact CB-CZ 3.99Å; M1-F279 HydrophobicContact CE-CE2 4.02Å; M1-F279 HydrophobicContact CG-CD2 3.89Å; M1-F279 HydrophobicContact CG-CE2 4Å; M1-F279 HydrophobicContact SD-CD2 3.35Å; M1-F279 WeakPolarHBondContact SD-CD2 3.38Å; M1-F279 HydrophobicContact SD-CE2 3.4Å; M1-F279 WeakPolarHBondContact SD-CE2 3.48Å; I2-F279 HydrophobicContact CD1-CD1 4.2Å; I2-F279 HydrophobicContact CG1-CD1 3.92Å; L274-F279 HydrophobicContact CB-CB 4.27Å; S275-F279 PolarHBondContact O-N 3.02Å; F279-S281 VanDerWaalsContact C-N 3.27Å; F279-S281 PolarHBondContact O-N 3.24Å; F279-G282 PolarHBondContact O-N 3.49Å; F279-G282 VanDerWaalsContact O-N 3.1Å; F279-L283 HydrophobicContact CE1-CD1 4.29Å; F279-F288 HydrophobicContact CE2-CE2 4.33Å; F279-F288 HydrophobicContact CZ-CD2 4.11Å; F279-F288 AromaticContact CZ-CE2 3.66Å; F279-F288 HydrophobicContact CZ-CE2 3.66Å; F279-F288 HydrophobicContact CZ-CZ 4.27Å; F279-Y289 AromaticContact CD2-CD2 3.66Å; F279-Y289 HydrophobicContact CD2-CD2 3.66Å; F279-Y289 HydrophobicContact CD2-CG 4.3Å; F279-Y289 HydrophobicContact CE2-CD2 4.13Å; F279-Y289 HydrophobicContact CG-CD2 4.41Å; F279-Y350 HydrophobicContact CE1-CE1 4.16Å; F279-Y350 AromaticContact CE1-CE2 3.79Å; F279-Y350 HydrophobicContact CE1-CE2 3.79Å; F279-Y350 AromaticContact CE1-CZ 3.54Å; F279-Y350 WeakPolarHBondContact CE1-OH 3.35Å
280	L	96.9	Very high	94	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.7	-34.9	-179.6	-68.4	178.6	0	0	0	111.8	I2 A276 G282 L283 I331 G332 L346 Y350	I2-L280 HydrophobicContact CD1-CD1 4.4Å; I2-L280 HydrophobicContact CD1-CD2 3.71Å; I2-L280 HydrophobicContact CD1-CG 4Å; A276-L280 VanDerWaalsContact O-CB 3.24Å; A276-L280 WeakPolarHBondContact O-CB 3.12Å; A276-L280 WeakPolarHBondContact O-CG 3.4Å; A276-L280 PolarHBondContact O-N 2.96Å; L280-G282 PolarHBondContact O-N 3.39Å; L280-L283 HydrophobicContact CD2-CD1 3.88Å; L280-L283 WeakPolarHBondContact O-CB 3.16Å; L280-L283 PolarHBondContact O-N 3Å; L280-L283 VanDerWaalsContact O-N 3.09Å; L280-I331 HydrophobicContact CD2-CG2 3.88Å; L280-G332 WeakPolarHBondContact O-CA 3.44Å; L280-L346 HydrophobicContact CD1-CB 3.95Å; L280-Y350 HydrophobicContact CD2-CD2 3.88Å; L280-Y350 HydrophobicContact CD2-CG 4.16Å
281	S	96.7	Very high	94	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.021	5%	0.053	C	C	.	.	H	α-helix	trans	-59.9	-34.4	176.8	79.4	0	0	0	0	112.4	R277 D278 F279 L283 A284 F285	R277-S281 VanDerWaalsContact O-CB 3.28Å; R277-S281 WeakPolarHBondContact O-CB 3.46Å; R277-S281 PolarHBondContact O-N 3.42Å; D278-S281 PolarHBondContact O-N 2.95Å; D278-S281 PolarHBondContact O-OG 3.18Å; F279-S281 VanDerWaalsContact C-N 3.27Å; F279-S281 PolarHBondContact O-N 3.24Å; S281-L283 VanDerWaalsContact C-N 3.33Å; S281-L283 PolarHBondContact O-N 3.2Å; S281-A284 VanDerWaalsContact O-CB 3.24Å; S281-A284 WeakPolarHBondContact O-CB 3.2Å; S281-A284 PolarHBondContact O-N 2.79Å; S281-F285 WeakPolarHBondContact O-CD2 3.28Å
282	G	97.9	Very high	94.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.7	-39	175.5	0	0	0	0	0	112.8	D278 F279 L280 A284 F285 R286 V287	D278-G282 PolarHBondContact O-N 3.3Å; F279-G282 PolarHBondContact O-N 3.49Å; F279-G282 VanDerWaalsContact O-N 3.1Å; L280-G282 PolarHBondContact O-N 3.39Å; G282-A284 PolarHBondContact O-N 2.83Å; G282-F285 PolarHBondContact O-N 2.64Å; G282-R286 PolarHBondContact O-N 3.4Å; G282-V287 CarbonylContact C-O 3.55Å; G282-V287 PolarHBondContact O-N 3.12Å
283	L	98.3	Very high	94.8	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-61.2	-29.4	178.7	-56.1	-179.1	0	0	0	112.1	F265 F279 L280 S281 F285 R286 V287 F288 Q329 Y350	F265-L283 HydrophobicContact CE1-CD2 4.19Å; F265-L283 HydrophobicContact CZ-CD2 4.5Å; F279-L283 HydrophobicContact CE1-CD1 4.29Å; L280-L283 HydrophobicContact CD2-CD1 3.88Å; L280-L283 WeakPolarHBondContact O-CB 3.16Å; L280-L283 PolarHBondContact O-N 3Å; L280-L283 VanDerWaalsContact O-N 3.09Å; S281-L283 VanDerWaalsContact C-N 3.33Å; S281-L283 PolarHBondContact O-N 3.2Å; L283-F285 PolarHBondContact O-N 3.01Å; L283-R286 PolarHBondContact O-N 3.44Å; L283-V287 PolarHBondContact N-O 3.1Å; L283-F288 HydrophobicContact CD2-CD2 4.12Å; L283-Q329 WeakPolarHBondContact O-CA 3.42Å; L283-Y350 HydrophobicContact CD1-CD2 3.88Å; L283-Y350 HydrophobicContact CD1-CE2 3.66Å
284	A	98	Very high	95.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60.3	-32.4	176.4	0	0	0	0	0	112.2	S281 G282 R286 Q329 L333 L336 I446	S281-A284 VanDerWaalsContact O-CB 3.24Å; S281-A284 WeakPolarHBondContact O-CB 3.2Å; S281-A284 PolarHBondContact O-N 2.79Å; G282-A284 PolarHBondContact O-N 2.83Å; A284-R286 VanDerWaalsContact C-N 3.34Å; A284-Q329 PolarHBondContact O-NE2 2.93Å; A284-L333 HydrophobicContact CB-CD2 3.99Å; A284-L333 HydrophobicContact CB-CG 4.26Å; A284-L336 HydrophobicContact CB-CD1 3.82Å; A284-L336 HydrophobicContact CB-CD2 4.02Å; A284-L336 HydrophobicContact CB-CG 4.08Å; A284-I446 HydrophobicContact CB-CD1 4.33Å
285	F	98.5	Very high	95.9	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.009	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	7	177.9	-63.8	-92.1	0	0	0	113.1	P147 H149 I150 L153 S281 G282 L283 V287 Y439 I446	P147-F285 HydrophobicContact CB-CE2 3.93Å; P147-F285 HydrophobicContact CB-CZ 4.08Å; P147-F285 HydrophobicContact CG-CE2 3.76Å; P147-F285 HydrophobicContact CG-CZ 4.37Å; P147-F285 WeakPolarHBondContact O-CZ 3.19Å; H149-F285 VanDerWaalsContact C-CE1 3.45Å; I150-F285 HydrophobicContact CB-CD1 3.73Å; I150-F285 HydrophobicContact CB-CE1 4.37Å; I150-F285 HydrophobicContact CB-CG 4.39Å; I150-F285 HydrophobicContact CD1-CB 4.34Å; I150-F285 HydrophobicContact CG1-CB 4.14Å; I150-F285 HydrophobicContact CG1-CD1 4.25Å; I150-F285 HydrophobicContact CG1-CG 4.45Å; L153-F285 HydrophobicContact CD1-CB 4.22Å; L153-F285 HydrophobicContact CD1-CD2 4.38Å; L153-F285 HydrophobicContact CD1-CG 4.38Å; L153-F285 HydrophobicContact CD2-CD2 4.13Å; L153-F285 HydrophobicContact CD2-CE2 4.4Å; S281-F285 WeakPolarHBondContact O-CD2 3.28Å; G282-F285 PolarHBondContact O-N 2.64Å; L283-F285 PolarHBondContact O-N 3.01Å; F285-V287 HydrophobicContact CB-CG2 4.04Å; F285-V287 PolarHBondContact O-N 2.87Å; F285-Y439 HydrophobicContact CB-CE2 4.37Å; F285-Y439 HydrophobicContact CD1-CD2 4.24Å; F285-Y439 AromaticContact CD1-CE2 3.66Å; F285-Y439 HydrophobicContact CD1-CE2 3.66Å; F285-Y439 HydrophobicContact CE1-CE2 4.31Å; F285-Y439 HydrophobicContact CG-CE2 4.3Å; F285-I446 HydrophobicContact CE1-CD1 4.36Å; F285-I446 HydrophobicContact CE1-CG1 3.84Å; F285-I446 HydrophobicContact CE2-CD1 4.38Å; F285-I446 HydrophobicContact CE2-CG1 3.97Å; F285-I446 HydrophobicContact CZ-CD1 4.09Å; F285-I446 HydrophobicContact CZ-CG1 3.36Å
286	R	98.5	Very high	96.3	Very high	65 Å²	65	9.1 Å²	9.1	25%	0.245	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	40.1	-167.2	-59.1	-165.9	173.9	163.7	6.4	112.2	T263 F265 C266 G282 L283 A284 Q329	T263-R286 VanDerWaalsContact O-CD 3.31Å; T263-R286 WeakPolarHBondContact O-CD 3.21Å; T263-R286 PolarHBondContact O-NH1 3.22Å; F265-R286 CarbonylContact C-O 3.56Å; F265-R286 WeakPolarHBondContact CA-O 3.31Å; F265-R286 HydrophobicContact CB-CB 4.44Å; F265-R286 HydrophobicContact CD1-CB 4.17Å; F265-R286 VanDerWaalsContact CD1-O 3.28Å; F265-R286 WeakPolarHBondContact CD1-O 3.39Å; F265-R286 HydrophobicContact CD2-CB 3.54Å; F265-R286 HydrophobicContact CD2-CG 3.77Å; F265-R286 HydrophobicContact CE1-CB 4.29Å; F265-R286 HydrophobicContact CE2-CB 3.67Å; F265-R286 HydrophobicContact CE2-CG 3.6Å; F265-R286 HydrophobicContact CG-CB 3.8Å; F265-R286 HydrophobicContact CZ-CB 4.06Å; F265-R286 HydrophobicContact CZ-CG 4.24Å; C266-R286 PolarHBondContact N-O 3.28Å; G282-R286 PolarHBondContact O-N 3.4Å; L283-R286 PolarHBondContact O-N 3.44Å; A284-R286 VanDerWaalsContact C-N 3.34Å; R286-Q329 HydrophobicContact CG-CB 4.34Å; R286-Q329 HydrophobicContact CG-CG 4.22Å; R286-Q329 VanDerWaalsContact CZ-OE1 3.29Å
287	V	98.7	Very high	96.5	Very high	9 Å²	9	11.8 Å²	11.8	6%	0.055	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.4	172.7	177	0	0	0	0	108.2	I150 L153 C266 R268 G282 L283 F285	I150-V287 HydrophobicContact CD1-CG2 3.73Å; I150-V287 HydrophobicContact CG1-CG2 4Å; L153-V287 HydrophobicContact CD1-CB 3.66Å; L153-V287 HydrophobicContact CD1-CG1 3.87Å; L153-V287 HydrophobicContact CD1-CG2 3.68Å; C266-V287 WeakPolarHBondContact O-CA 3.1Å; R268-V287 HydrophobicContact CB-CG1 3.67Å; G282-V287 CarbonylContact C-O 3.55Å; G282-V287 PolarHBondContact O-N 3.12Å; L283-V287 PolarHBondContact N-O 3.1Å; F285-V287 HydrophobicContact CB-CG2 4.04Å; F285-V287 PolarHBondContact O-N 2.87Å
288	F	98.5	Very high	96.4	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.6	174.3	-174.4	-94.1	0	0	0	109.1	F265 C266 L267 R268 F279 L283 C290 E311 H315 L319	F265-F288 HydrophobicContact CD1-CB 4.14Å; F265-F288 HydrophobicContact CE1-CB 4.24Å; C266-F288 PolarHBondContact O-N 3.29Å; L267-F288 CarbonylContact C-O 3.56Å; L267-F288 WeakPolarHBondContact CA-O 3.5Å; L267-F288 HydrophobicContact CD2-CB 4.12Å; L267-F288 HydrophobicContact CD2-CD1 4.05Å; R268-F288 PolarHBondContact N-O 2.94Å; F279-F288 HydrophobicContact CE2-CE2 4.33Å; F279-F288 HydrophobicContact CZ-CD2 4.11Å; F279-F288 AromaticContact CZ-CE2 3.66Å; F279-F288 HydrophobicContact CZ-CE2 3.66Å; F279-F288 HydrophobicContact CZ-CZ 4.27Å; L283-F288 HydrophobicContact CD2-CD2 4.12Å; F288-C290 HydrophobicContact CD1-CB 4.18Å; F288-C290 HydrophobicContact CE1-CB 4.38Å; F288-E311 HydrophobicContact CE1-CB 4.44Å; F288-E311 WeakPolarHBondContact CE1-OE2 3.24Å; F288-E311 WeakPolarHBondContact CZ-OE2 3.42Å; F288-H315 HydrophobicContact CE1-CB 4.06Å; F288-H315 HydrophobicContact CE2-CB 4.13Å; F288-H315 AromaticContact CE2-CG 3.75Å; F288-H315 AromaticContact CE2-ND1 3.77Å; F288-H315 HydrophobicContact CZ-CB 3.71Å; F288-H315 AromaticContact CZ-CD2 3.35Å; F288-H315 WeakPolarHBondContact CZ-CD2 3.35Å; F288-H315 AromaticContact CZ-CG 3.37Å; F288-H315 AromaticContact CZ-ND1 3.85Å; F288-H315 AromaticContact CZ-NE2 3.8Å; F288-L319 HydrophobicContact CB-CD1 3.77Å; F288-L319 HydrophobicContact CD1-CD1 4.23Å; F288-L319 HydrophobicContact CD2-CD1 3.81Å; F288-L319 HydrophobicContact CG-CD1 3.66Å
289	Y	97.7	Very high	96.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.1	173.6	-62	-81.6	0	0	0	108.7	M1 V156 R268 V270 L274 F279	M1-Y289 WeakPolarHBondContact CE-O 3.48Å; V156-Y289 VanDerWaalsContact CG2-OH 3.31Å; V156-Y289 WeakPolarHBondContact CG2-OH 3.38Å; R268-Y289 HydrophobicContact CB-CD1 4.28Å; R268-Y289 HydrophobicContact CG-CD1 4.14Å; R268-Y289 HydrophobicContact CG-CE1 4.32Å; R268-Y289 CarbonylContact O-C 3.5Å; R268-Y289 WeakPolarHBondContact O-CA 3.34Å; V270-Y289 HydrophobicContact CB-CD1 4.29Å; V270-Y289 HydrophobicContact CG2-CD1 4.36Å; L274-Y289 HydrophobicContact CD1-CD1 3.66Å; L274-Y289 HydrophobicContact CD1-CD2 3.72Å; L274-Y289 HydrophobicContact CD1-CE1 3.7Å; L274-Y289 HydrophobicContact CD1-CE2 3.76Å; L274-Y289 HydrophobicContact CD1-CG 3.66Å; F279-Y289 AromaticContact CD2-CD2 3.66Å; F279-Y289 HydrophobicContact CD2-CD2 3.66Å; F279-Y289 HydrophobicContact CD2-CG 4.3Å; F279-Y289 HydrophobicContact CE2-CD2 4.13Å; F279-Y289 HydrophobicContact CG-CD2 4.41Å
290	C	97.4	Very high	96	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.1	-170.7	-176.7	0	0	0	0	109.6	L252 L267 R268 P269 V270 F288 E311	L252-C290 HydrophobicContact CD1-CB 4.1Å; L267-C290 HydrophobicContact CB-CB 4.4Å; L267-C290 HydrophobicContact CD2-CB 4.37Å; R268-C290 PolarHBondContact O-N 3.44Å; P269-C290 VanDerWaalsContact CA-O 3.3Å; P269-C290 WeakPolarHBondContact CA-O 3.48Å; V270-C290 PolarHBondContact N-O 2.82Å; F288-C290 HydrophobicContact CD1-CB 4.18Å; F288-C290 HydrophobicContact CE1-CB 4.38Å; C290-E311 WeakPolarHBondContact SG-CB 3.4Å
291	T	96.6	Very high	95.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.			trans	-75.4	149	175.3	59.4	0	0	0	0	110.7	M1 V270 Y293 P306 D307 C308	M1-T291 HydrophobicContact CE-CG2 4.46Å; V270-T291 HydrophobicContact CG1-CG2 3.95Å; T291-Y293 HydrophobicContact CG2-CD1 4.41Å; T291-Y293 HydrophobicContact CG2-CE1 3.62Å; T291-P306 WeakPolarHBondContact CB-O 3.26Å; T291-P306 WeakPolarHBondContact CG2-O 3.22Å; T291-P306 PolarHBondContact OG1-O 3.18Å; T291-D307 VanDerWaalsContact OG1-C 3.29Å; T291-C308 WeakPolarHBondContact O-CB 3.31Å; T291-C308 PolarHBondContact OG1-N 3.35Å
292	Q	97.3	Very high	95	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.019	13%	0.126	C	C	.	.			trans	-103.4	-16	178.2	-75.1	-171.6	-82.7	0	0	114	F186 P200 Y204 L252	F186-Q292 HydrophobicContact CD1-CB 3.45Å; F186-Q292 VanDerWaalsContact CD1-CB 3.45Å; F186-Q292 HydrophobicContact CE1-CB 3.75Å; F186-Q292 VanDerWaalsContact CE1-O 3.28Å; F186-Q292 WeakPolarHBondContact CE1-O 3.15Å; F186-Q292 HydrophobicContact CG-CB 4.39Å; P200-Q292 PolarHBondContact O-NE2 3.1Å; Y204-Q292 WeakPolarHBondContact CE1-O 3.47Å; Y204-Q292 PolarHBondContact OH-O 3.26Å; L252-Q292 HydrophobicContact CD1-CG 3.28Å; L252-Q292 HydrophobicContact CG-CG 3.77Å
293	Y	96.2	Very high	94.2	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.012	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-78.8	150.8	179.2	62.7	-99.3	0	0	0	111	R183 F186 T291 E305 D307 C308	R183-Y293 VanDerWaalsContact CD-CG 3.49Å; R183-Y293 PolarHBondContact NH2-OH 2.78Å; F186-Y293 VanDerWaalsContact CD2-CB 3.47Å; T291-Y293 HydrophobicContact CG2-CD1 4.41Å; T291-Y293 HydrophobicContact CG2-CE1 3.62Å; Y293-E305 HydrophobicContact CE2-CB 4.44Å; Y293-E305 WeakPolarHBondContact CE2-OE2 3.48Å; Y293-E305 PolarHBondContact OH-OE2 3.26Å; Y293-D307 HydrophobicContact CD2-CB 4.16Å; Y293-D307 HydrophobicContact CE2-CB 4.07Å; Y293-C308 WeakPolarHBondContact O-CB 3.29Å; Y293-C308 PolarHBondContact O-N 3.42Å; Y293-C308 PolarHBondContact O-SG 3.04Å; Y293-C308 VanDerWaalsContact O-SG 3.41Å
294	I	96.1	Very high	93.1	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-102.3	150.6	173.1	-163.6	174.3	0	0	0	110.3	Y179 E208 T211 W212 L249	Y179-I294 WeakPolarHBondContact CE2-O 3.34Å; Y179-I294 PolarHBondContact OH-O 3.26Å; Y179-I294 VanDerWaalsContact OH-O 3.12Å; E208-I294 HydrophobicContact CB-CG2 3.79Å; E208-I294 HydrophobicContact CG-CG2 3.57Å; E208-I294 VanDerWaalsContact O-CD1 3.3Å; E208-I294 WeakPolarHBondContact O-CD1 3.14Å; T211-I294 HydrophobicContact CG2-CD1 3.85Å; T211-I294 HydrophobicContact CG2-CG1 4.3Å; W212-I294 HydrophobicContact CB-CD1 3.82Å; L249-I294 HydrophobicContact CD2-CD1 4.25Å
295	R	94.8	Very high	92.3	Very high	8 Å²	8	28.1 Å²	28.1	3%	0.03	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-56.5	155.6	173.5	69.2	-170	71.5	178.5	-10.8	112.2	T211 I215 P300 T303 D307	T211-R295 HydrophobicContact CG2-CG 4.24Å; I215-R295 HydrophobicContact CD1-CG 4.21Å; R295-P300 WeakPolarHBondContact CD-O 3.35Å; R295-P300 PolarHBondContact NH1-O 3.4Å; R295-T303 HydrophobicContact CB-CG2 4.31Å; R295-D307 HydrophobicContact CB-CB 4.17Å; R295-D307 WeakPolarHBondContact CB-OD2 3.13Å; R295-D307 WeakPolarHBondContact CG-OD2 3.49Å; R295-D307 IonicContact CZ-OD1 3.71Å; R295-D307 IonicContact CZ-OD2 3.36Å; R295-D307 PolarHBondContact N-OD2 3.32Å; R295-D307 VanDerWaalsContact NE-CG 3.35Å; R295-D307 IonicContact NE-OD1 2.8Å; R295-D307 PolarHBondContact NE-OD1 3.43Å; R295-D307 IonicContact NE-OD2 3.37Å; R295-D307 PolarHBondContact NE-OD2 3.15Å; R295-D307 IonicContact NH2-OD1 3.12Å; R295-D307 PolarHBondContact NH2-OD1 2.86Å; R295-D307 IonicContact NH2-OD2 2.75Å
296	H	95.1	Very high	91.8	Very high	19 Å²	19	28.3 Å²	28.3	9%	0.088	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-66.6	136.1	-177.4	-171	-97.5	0	0	0	112.6	P172 D176 Y179 A298 D299	P172-H296 HydrophobicContact CB-CB 4.2Å; D176-H296 IonicContact OD2-CD2 3.47Å; D176-H296 IonicContact OD2-NE2 2.72Å; D176-H296 PolarHBondContact OD2-NE2 2.76Å; Y179-H296 HydrophobicContact CD2-CB 4.46Å; Y179-H296 AromaticContact CD2-CD2 3.68Å; Y179-H296 HydrophobicContact CE2-CB 4.07Å; Y179-H296 AromaticContact CG-CD2 3.7Å; H296-A298 VanDerWaalsContact ND1-CB 3.26Å; H296-A298 WeakPolarHBondContact ND1-CB 3.39Å; H296-A298 PolarHBondContact ND1-N 3.37Å; H296-A298 PolarHBondContact O-N 2.81Å; H296-D299 PolarHBondContact O-N 3.41Å
297	Q	93.8	Very high	91.7	Very high	68 Å²	68	25.2 Å²	25.2	32%	0.318	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.9	-173.5	64.8	-79.3	-6.3	0	0	115.4	I207 T211 D299	I207-Q297 HydrophobicContact CG2-CB 3.81Å; I207-Q297 HydrophobicContact CG2-CG 3.79Å; T211-Q297 WeakPolarHBondContact OG1-CB 3.38Å; Q297-D299 PolarHBondContact O-N 3.02Å
298	A	92.2	Very high	91.6	Very high	77 Å²	77	24.8 Å²	24.8	64%	0.636	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.6	179.6	0	0	0	0	0	112.6	H296	H296-A298 VanDerWaalsContact ND1-CB 3.26Å; H296-A298 WeakPolarHBondContact ND1-CB 3.39Å; H296-A298 PolarHBondContact ND1-N 3.37Å; H296-A298 PolarHBondContact O-N 2.81Å
299	D	87.3	Confident	91.5	Very high	65 Å²	65	24.7 Å²	24.7	35%	0.348	13%	0.131	S	C	.	.			trans	-139.5	85	175.4	-163	-15	0	0	0	111.1	H296 Q297 F301 Y302	H296-D299 PolarHBondContact O-N 3.41Å; Q297-D299 PolarHBondContact O-N 3.02Å; D299-F301 PolarHBondContact O-N 3.42Å; D299-F301 PolarHBondContact OD1-N 2.95Å; D299-Y302 PolarHBondContact OD1-N 3.1Å; D299-Y302 WeakPolarHBondContact OD2-CB 3.27Å
300	P	90	Very high	91.5	Very high	7 Å²	7	25.6 Å²	25.6	5%	0.045	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.5	-177.1	28.6	-35.5	0	0	0	113.1	T211 I215 R295	T211-P300 HydrophobicContact CG2-CB 4.2Å; I215-P300 HydrophobicContact CD1-CB 4.29Å; I215-P300 WeakPolarHBondContact CD1-O 3.32Å; I215-P300 HydrophobicContact CG1-CB 4.13Å; I215-P300 VanDerWaalsContact CG1-O 3.22Å; I215-P300 WeakPolarHBondContact CG1-O 3.48Å; R295-P300 WeakPolarHBondContact CD-O 3.35Å; R295-P300 PolarHBondContact NH1-O 3.4Å
301	F	89	Confident	91.5	Very high	84 Å²	84	25.6 Å²	25.6	37%	0.368	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	1.6	-175.2	-62.1	-63.3	0	0	0	113.4	E218 D299 V376	E218-F301 HydrophobicContact CB-CE1 4.03Å; E218-F301 HydrophobicContact CB-CZ 4.48Å; E218-F301 HydrophobicContact CG-CE1 4.3Å; D299-F301 PolarHBondContact O-N 3.42Å; D299-F301 PolarHBondContact OD1-N 2.95Å; F301-V376 HydrophobicContact CD1-CG2 3.97Å; F301-V376 HydrophobicContact CE1-CG2 4.26Å
302	Y	82.4	Confident	91.5	Very high	110 Å²	110	25.6 Å²	25.6	43%	0.431	14%	0.135	S	C	.	.			trans	-136.4	141.9	176.2	174.3	-103.8	0	0	0	111.1	D299	D299-Y302 PolarHBondContact OD1-N 3.1Å; D299-Y302 WeakPolarHBondContact OD2-CB 3.27Å
303	T	80.8	Confident	91.6	Very high	31 Å²	31	25.4 Å²	25.4	19%	0.19	13%	0.134	C	C	.	.			trans	-157.1	133.9	167.6	174	0	0	0	0	108	R295 E305	R295-T303 HydrophobicContact CB-CG2 4.31Å; T303-E305 WeakPolarHBondContact CG2-O 2.97Å; T303-E305 PolarHBondContact O-N 2.99Å; T303-E305 PolarHBondContact OG1-N 3.44Å; T303-E305 VanDerWaalsContact OG1-N 3.1Å; T303-E305 PolarHBondContact OG1-O 3Å
304	P	75.6	Confident	91.6	Very high	27 Å²	27	25.2 Å²	25.2	18%	0.175	13%	0.133	C	C	.	.	S	Bend	trans	-75.1	-12.4	170.4	30.6	-31.4	0	0	0	111.8	Y273	Y273-P304 PolarHBondContact OH-O 3.44Å
305	E	82.2	Confident	91.8	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.023	13%	0.133	C	C	.	.	S	Bend	trans	-109.4	149.7	-175.6	-51.3	-179.1	-168.8	0	0	112.2	Y163 H171 R183 Y293 T303 D307	Y163-E305 HydrophobicContact CD1-CG 3.49Å; Y163-E305 VanDerWaalsContact CD1-CG 3.49Å; Y163-E305 WeakPolarHBondContact CD1-OE1 3.11Å; Y163-E305 HydrophobicContact CD2-CG 4.2Å; Y163-E305 HydrophobicContact CE1-CG 3.71Å; Y163-E305 HydrophobicContact CE2-CG 4.4Å; Y163-E305 HydrophobicContact CG-CG 3.69Å; H171-E305 IonicContact CD2-OE1 2.93Å; H171-E305 PolarHBondContact CD2-OE1 3.11Å; H171-E305 IonicContact CG-OE1 3.42Å; H171-E305 IonicContact NE2-OE1 3.81Å; H171-E305 PolarHBondContact NE2-OE1 2.89Å; R183-E305 IonicContact CZ-OE2 3.54Å; R183-E305 IonicContact NH1-OE1 3.98Å; R183-E305 PolarHBondContact NH1-OE1 3.38Å; R183-E305 IonicContact NH1-OE2 3.8Å; R183-E305 PolarHBondContact NH1-OE2 2.91Å; R183-E305 IonicContact NH2-OE1 2.88Å; R183-E305 IonicContact NH2-OE2 3.2Å; R183-E305 PolarHBondContact NH2-OE2 3.36Å; Y293-E305 HydrophobicContact CE2-CB 4.44Å; Y293-E305 WeakPolarHBondContact CE2-OE2 3.48Å; Y293-E305 PolarHBondContact OH-OE2 3.26Å; T303-E305 WeakPolarHBondContact CG2-O 2.97Å; T303-E305 PolarHBondContact O-N 2.99Å; T303-E305 PolarHBondContact OG1-N 3.44Å; T303-E305 VanDerWaalsContact OG1-N 3.1Å; T303-E305 PolarHBondContact OG1-O 3Å; E305-D307 VanDerWaalsContact C-N 3.31Å; E305-D307 PolarHBondContact O-N 3.21Å
306	P	88.4	Confident	92	Very high	6 Å²	6	24.8 Å²	24.8	4%	0.039	13%	0.131	C	C	.	.			trans	-79.9	82.1	175.1	34.7	-34.2	0	0	0	108.7	Y273 T291 H310 E311	Y273-P306 HydrophobicContact CE2-CG 3.91Å; Y273-P306 VanDerWaalsContact CZ-CD 3.41Å; Y273-P306 VanDerWaalsContact OH-CD 3.29Å; Y273-P306 WeakPolarHBondContact OH-CD 3.33Å; T291-P306 WeakPolarHBondContact CB-O 3.26Å; T291-P306 WeakPolarHBondContact CG2-O 3.22Å; T291-P306 PolarHBondContact OG1-O 3.18Å; P306-H310 VanDerWaalsContact CB-CD2 3.46Å; P306-H310 WeakPolarHBondContact CB-CD2 3.44Å; P306-E311 WeakPolarHBondContact CB-OE1 3.18Å
307	D	95	Very high	92.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.			trans	-71.3	172.6	173.7	80.4	-40.2	0	0	0	111.8	T291 Y293 R295 E305 C309 H310 E311	T291-D307 VanDerWaalsContact OG1-C 3.29Å; Y293-D307 HydrophobicContact CD2-CB 4.16Å; Y293-D307 HydrophobicContact CE2-CB 4.07Å; R295-D307 HydrophobicContact CB-CB 4.17Å; R295-D307 WeakPolarHBondContact CB-OD2 3.13Å; R295-D307 WeakPolarHBondContact CG-OD2 3.49Å; R295-D307 IonicContact CZ-OD1 3.71Å; R295-D307 IonicContact CZ-OD2 3.36Å; R295-D307 PolarHBondContact N-OD2 3.32Å; R295-D307 VanDerWaalsContact NE-CG 3.35Å; R295-D307 IonicContact NE-OD1 2.8Å; R295-D307 PolarHBondContact NE-OD1 3.43Å; R295-D307 IonicContact NE-OD2 3.37Å; R295-D307 PolarHBondContact NE-OD2 3.15Å; R295-D307 IonicContact NH2-OD1 3.12Å; R295-D307 PolarHBondContact NH2-OD1 2.86Å; R295-D307 IonicContact NH2-OD2 2.75Å; E305-D307 VanDerWaalsContact C-N 3.31Å; E305-D307 PolarHBondContact O-N 3.21Å; D307-C309 PolarHBondContact O-N 3.41Å; D307-C309 WeakPolarHBondContact OD1-CB 3.49Å; D307-C309 PolarHBondContact OD1-N 3.21Å; D307-C309 WeakPolarHBondContact OD2-CB 3.43Å; D307-C309 PolarHBondContact OD2-SG 3.26Å; D307-C309 VanDerWaalsContact OD2-SG 3.39Å; D307-H310 WeakPolarHBondContact O-CA 3.43Å; D307-H310 WeakPolarHBondContact O-CB 3.41Å; D307-H310 PolarHBondContact O-N 2.97Å; D307-H310 PolarHBondContact OD1-N 3.16Å; D307-E311 WeakPolarHBondContact O-CG 3.2Å; D307-E311 PolarHBondContact O-N 3.09Å; D307-E311 VanDerWaalsContact O-N 3.16Å
308	C	96.5	Very high	92.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.9	-25.4	-179.1	68.8	0	0	0	0	113.1	T291 Y293 L312	T291-C308 WeakPolarHBondContact O-CB 3.31Å; T291-C308 PolarHBondContact OG1-N 3.35Å; Y293-C308 WeakPolarHBondContact O-CB 3.29Å; Y293-C308 PolarHBondContact O-N 3.42Å; Y293-C308 PolarHBondContact O-SG 3.04Å; Y293-C308 VanDerWaalsContact O-SG 3.41Å; C308-L312 HydrophobicContact CB-CD1 4.35Å; C308-L312 WeakPolarHBondContact O-CB 3.26Å; C308-L312 WeakPolarHBondContact O-CG 3.46Å; C308-L312 PolarHBondContact O-N 2.92Å
309	C	97.1	Very high	92.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-46.8	171.8	-62.9	0	0	0	0	111.4	I215 D307 L313	I215-C309 HydrophobicContact CD1-CB 4.34Å; I215-C309 VanDerWaalsContact CD1-SG 3.58Å; I215-C309 HydrophobicContact CG2-CB 4.35Å; D307-C309 PolarHBondContact O-N 3.41Å; D307-C309 WeakPolarHBondContact OD1-CB 3.49Å; D307-C309 PolarHBondContact OD1-N 3.21Å; D307-C309 WeakPolarHBondContact OD2-CB 3.43Å; D307-C309 PolarHBondContact OD2-SG 3.26Å; D307-C309 VanDerWaalsContact OD2-SG 3.39Å; C309-L313 WeakPolarHBondContact O-CB 3.39Å; C309-L313 PolarHBondContact O-N 3.36Å
310	H	96.7	Very high	93.2	Very high	18 Å²	18	14 Å²	14	8%	0.083	7%	0.066	C	C	.	.	H	α-helix	trans	-58.9	-47.3	175.7	171.9	84.5	0	0	0	111.8	P306 D307 G314 H315 E355 S374	P306-H310 VanDerWaalsContact CB-CD2 3.46Å; P306-H310 WeakPolarHBondContact CB-CD2 3.44Å; D307-H310 WeakPolarHBondContact O-CA 3.43Å; D307-H310 WeakPolarHBondContact O-CB 3.41Å; D307-H310 PolarHBondContact O-N 2.97Å; D307-H310 PolarHBondContact OD1-N 3.16Å; H310-G314 WeakPolarHBondContact O-CA 3.2Å; H310-G314 PolarHBondContact O-N 2.79Å; H310-H315 AromaticContact CD2-CD2 3.89Å; H310-H315 AromaticContact CE1-NE2 3.98Å; H310-H315 AromaticContact NE2-CD2 3.56Å; H310-H315 AromaticContact NE2-NE2 3.22Å; H310-H315 PolarHBondContact NE2-NE2 3.04Å; H310-E355 IonicContact CE1-OE2 3.02Å; H310-E355 PolarHBondContact CE1-OE2 3.48Å; H310-E355 IonicContact NE2-OE2 3.45Å; H310-E355 PolarHBondContact NE2-OE2 2.84Å; H310-S374 PolarHBondContact ND1-OG 3.29Å
311	E	97.6	Very high	93.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-66.6	-51.3	-177.5	-50.3	-61.9	-172.9	0	0	112.1	M1 F288 C290 P306 D307 H315 V316	M1-E311 WeakPolarHBondContact CE-OE1 3.44Å; F288-E311 HydrophobicContact CE1-CB 4.44Å; F288-E311 WeakPolarHBondContact CE1-OE2 3.24Å; F288-E311 WeakPolarHBondContact CZ-OE2 3.42Å; C290-E311 WeakPolarHBondContact SG-CB 3.4Å; P306-E311 WeakPolarHBondContact CB-OE1 3.18Å; D307-E311 WeakPolarHBondContact O-CG 3.2Å; D307-E311 PolarHBondContact O-N 3.09Å; D307-E311 VanDerWaalsContact O-N 3.16Å; E311-H315 WeakPolarHBondContact O-CB 3.24Å; E311-H315 PolarHBondContact O-N 3.41Å; E311-H315 VanDerWaalsContact O-N 3.12Å; E311-H315 IonicContact OE2-CD2 3.61Å; E311-H315 PolarHBondContact OE2-CD2 3.23Å; E311-H315 VanDerWaalsContact OE2-CD2 3.24Å; E311-H315 IonicContact OE2-NE2 2.75Å; E311-V316 WeakPolarHBondContact O-CG2 3.37Å; E311-V316 PolarHBondContact O-N 3.37Å; E311-V316 VanDerWaalsContact O-N 3.12Å
312	L	98.3	Very high	93.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-74.7	-35.9	-172.6	-65.1	177.8	0	0	0	112.4	W212 Y244 P250 L252 V255 C308 V316	W212-L312 HydrophobicContact CH2-CB 4.07Å; W212-L312 HydrophobicContact CH2-CD1 4.28Å; W212-L312 HydrophobicContact CZ3-CB 4.11Å; W212-L312 HydrophobicContact CZ3-CD1 4.13Å; Y244-L312 HydrophobicContact CE1-CB 4.42Å; Y244-L312 WeakPolarHBondContact CE1-O 3.35Å; Y244-L312 WeakPolarHBondContact OH-CA 2.88Å; Y244-L312 WeakPolarHBondContact OH-CB 2.93Å; Y244-L312 PolarHBondContact OH-O 3.16Å; P250-L312 HydrophobicContact CB-CD1 4.24Å; P250-L312 HydrophobicContact CG-CD1 4.26Å; L252-L312 HydrophobicContact CD2-CD2 3.82Å; V255-L312 HydrophobicContact CG1-CD2 4.35Å; V255-L312 HydrophobicContact CG2-CD2 4.31Å; C308-L312 HydrophobicContact CB-CD1 4.35Å; C308-L312 WeakPolarHBondContact O-CB 3.26Å; C308-L312 WeakPolarHBondContact O-CG 3.46Å; C308-L312 PolarHBondContact O-N 2.92Å; L312-V316 HydrophobicContact CD2-CG2 4.13Å
313	L	98	Very high	94.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-97.5	-21.3	-178	-58.6	173.7	0	0	0	113.1	W212 I215 Y216 L219 Y223 F231 Y244 C309	W212-L313 HydrophobicContact CE3-CD1 4.45Å; W212-L313 HydrophobicContact CH2-CD1 4.03Å; W212-L313 HydrophobicContact CH2-CD2 3.61Å; W212-L313 HydrophobicContact CH2-CG 3.69Å; W212-L313 HydrophobicContact CZ2-CD2 4.17Å; W212-L313 HydrophobicContact CZ3-CD1 3.89Å; W212-L313 HydrophobicContact CZ3-CD2 4.28Å; W212-L313 HydrophobicContact CZ3-CG 3.83Å; I215-L313 HydrophobicContact CG2-CD1 4.13Å; Y216-L313 HydrophobicContact CD2-CD1 4.38Å; Y216-L313 HydrophobicContact CD2-CD2 3.72Å; Y216-L313 HydrophobicContact CE2-CD2 3.91Å; L219-L313 HydrophobicContact CD1-CB 4.49Å; L219-L313 HydrophobicContact CD1-CD1 3.99Å; Y223-L313 PolarHBondContact OH-O 3.46Å; F231-L313 WeakPolarHBondContact CE2-O 3.11Å; F231-L313 WeakPolarHBondContact CZ-O 3.4Å; Y244-L313 HydrophobicContact CD1-CD2 4.22Å; Y244-L313 HydrophobicContact CE1-CD2 4.08Å; C309-L313 WeakPolarHBondContact O-CB 3.39Å; C309-L313 PolarHBondContact O-N 3.36Å
314	G	97.7	Very high	95.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-92.6	-63.1	176.3	0	0	0	0	0	112.7	H310	H310-G314 WeakPolarHBondContact O-CA 3.2Å; H310-G314 PolarHBondContact O-N 2.79Å
315	H	98.6	Very high	96.3	Very high	3 Å²	3	10.2 Å²	10.2	1%	0.014	5%	0.054	C	C	.	.	I	π-helix	trans	-82	-49	-168.8	-75	-72.7	0	0	0	114.1	F288 H310 E311 M318 L319 Y350 E355 A370	F288-H315 HydrophobicContact CE1-CB 4.06Å; F288-H315 HydrophobicContact CE2-CB 4.13Å; F288-H315 AromaticContact CE2-CG 3.75Å; F288-H315 AromaticContact CE2-ND1 3.77Å; F288-H315 HydrophobicContact CZ-CB 3.71Å; F288-H315 AromaticContact CZ-CD2 3.35Å; F288-H315 WeakPolarHBondContact CZ-CD2 3.35Å; F288-H315 AromaticContact CZ-CG 3.37Å; F288-H315 AromaticContact CZ-ND1 3.85Å; F288-H315 AromaticContact CZ-NE2 3.8Å; H310-H315 AromaticContact CD2-CD2 3.89Å; H310-H315 AromaticContact CE1-NE2 3.98Å; H310-H315 AromaticContact NE2-CD2 3.56Å; H310-H315 AromaticContact NE2-NE2 3.22Å; H310-H315 PolarHBondContact NE2-NE2 3.04Å; E311-H315 WeakPolarHBondContact O-CB 3.24Å; E311-H315 PolarHBondContact O-N 3.41Å; E311-H315 VanDerWaalsContact O-N 3.12Å; E311-H315 IonicContact OE2-CD2 3.61Å; E311-H315 PolarHBondContact OE2-CD2 3.23Å; E311-H315 VanDerWaalsContact OE2-CD2 3.24Å; E311-H315 IonicContact OE2-NE2 2.75Å; H315-M318 PolarHBondContact O-N 3.39Å; H315-M318 VanDerWaalsContact O-N 3.1Å; H315-L319 HydrophobicContact CB-CD1 4.44Å; H315-L319 PolarHBondContact O-N 2.64Å; H315-L319 VanDerWaalsContact O-N 3.09Å; H315-Y350 PolarHBondContact CE1-OH 3.2Å; H315-E355 IonicContact CE1-OE1 3.86Å; H315-E355 IonicContact CE1-OE2 3.53Å; H315-E355 IonicContact NE2-OE1 3.24Å; H315-E355 IonicContact NE2-OE2 2.66Å; H315-E355 PolarHBondContact NE2-OE2 2.84Å; H315-A370 HydrophobicContact CB-CB 4.33Å; H315-A370 VanDerWaalsContact CD2-CB 3.44Å; H315-A370 WeakPolarHBondContact CD2-CB 3.29Å; H315-A370 WeakPolarHBondContact CE1-CB 3.35Å; H315-A370 VanDerWaalsContact CG-CB 3.47Å; H315-A370 WeakPolarHBondContact ND1-CB 3.25Å; H315-A370 WeakPolarHBondContact NE2-CB 3.41Å
316	V	98.8	Very high	96.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-55.4	-45.3	-168.4	168.9	0	0	0	0	113.7	L238 Y244 V255 L259 L267 E311 L312 M318 L319 A320	L238-V316 HydrophobicContact CD1-CG1 3.83Å; L238-V316 HydrophobicContact CD2-CG1 3.91Å; Y244-V316 WeakPolarHBondContact OH-CG1 3.14Å; V255-V316 HydrophobicContact CG1-CB 4.39Å; V255-V316 HydrophobicContact CG1-CG1 3.45Å; V255-V316 VanDerWaalsContact CG1-CG1 3.45Å; V255-V316 HydrophobicContact CG1-CG2 4.04Å; L259-V316 HydrophobicContact CD1-CG1 4.19Å; L259-V316 HydrophobicContact CD1-CG2 4.39Å; L259-V316 HydrophobicContact CD2-CG1 4.21Å; L259-V316 HydrophobicContact CG-CG1 4.31Å; L267-V316 HydrophobicContact CD1-CG2 4.45Å; L267-V316 HydrophobicContact CD2-CG2 4.4Å; E311-V316 WeakPolarHBondContact O-CG2 3.37Å; E311-V316 PolarHBondContact O-N 3.37Å; E311-V316 VanDerWaalsContact O-N 3.12Å; L312-V316 HydrophobicContact CD2-CG2 4.13Å; V316-M318 VanDerWaalsContact C-N 3.25Å; V316-M318 PolarHBondContact O-N 2.93Å; V316-L319 PolarHBondContact O-N 2.91Å; V316-A320 PolarHBondContact O-N 3.16Å
317	P	98.7	Very high	97.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.8	-33.7	-179	-23.8	35.4	0	0	0	112.9	F231 N234 L238	F231-P317 HydrophobicContact CD2-CB 3.59Å; F231-P317 HydrophobicContact CD2-CG 4.06Å; F231-P317 HydrophobicContact CE2-CB 3.59Å; F231-P317 HydrophobicContact CE2-CG 3.49Å; F231-P317 VanDerWaalsContact CE2-CG 3.49Å; F231-P317 HydrophobicContact CG-CB 4.14Å; F231-P317 HydrophobicContact CZ-CB 4.14Å; F231-P317 HydrophobicContact CZ-CG 3.81Å; N234-P317 HydrophobicContact CB-CB 4.35Å; N234-P317 WeakPolarHBondContact CB-O 3.32Å; N234-P317 PolarHBondContact ND2-O 2.78Å; L238-P317 HydrophobicContact CD1-CB 4.07Å; L238-P317 HydrophobicContact CD1-CG 3.8Å
318	M	98.3	Very high	97.3	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-75.2	-37.4	176.2	-70.3	-51.9	-59.4	0	0	112.3	C228 E230 F231 H315 V316 A320 D321 F324 F417	C228-M318 VanDerWaalsContact SG-SD 3.69Å; E230-M318 HydrophobicContact CB-CE 4.32Å; E230-M318 HydrophobicContact CB-SD 4.45Å; F231-M318 HydrophobicContact CB-SD 3.71Å; F231-M318 HydrophobicContact CD2-CG 4.09Å; F231-M318 HydrophobicContact CD2-SD 4.24Å; H315-M318 PolarHBondContact O-N 3.39Å; H315-M318 VanDerWaalsContact O-N 3.1Å; V316-M318 VanDerWaalsContact C-N 3.25Å; V316-M318 PolarHBondContact O-N 2.93Å; M318-A320 PolarHBondContact O-N 2.96Å; M318-A320 VanDerWaalsContact O-N 3.15Å; M318-D321 WeakPolarHBondContact O-CB 3.4Å; M318-D321 PolarHBondContact O-N 3.3Å; M318-F324 HydrophobicContact CB-CD1 3.58Å; M318-F324 HydrophobicContact CB-CD2 4.29Å; M318-F324 HydrophobicContact CB-CE1 3.59Å; M318-F324 HydrophobicContact CB-CE2 4.32Å; M318-F324 HydrophobicContact CB-CG 3.92Å; M318-F324 HydrophobicContact CB-CZ 3.96Å; M318-F324 HydrophobicContact CE-CB 3.94Å; M318-F324 HydrophobicContact CE-CD2 3.52Å; M318-F324 HydrophobicContact CE-CE2 4.12Å; M318-F324 HydrophobicContact CE-CG 3.74Å; M318-F324 WeakPolarHBondContact O-CB 3.3Å; M318-F324 WeakPolarHBondContact O-CD1 3.47Å; M318-F417 HydrophobicContact CE-CE1 4.05Å; M318-F417 HydrophobicContact CE-CE2 3.67Å; M318-F417 HydrophobicContact CE-CZ 3.33Å
319	L	98.6	Very high	97.3	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-63.3	-19.3	175.7	-67.6	174.7	0	0	0	113.4	L259 T263 F265 F288 H315 V316 D321 F324	L259-L319 HydrophobicContact CD1-CB 4.45Å; L259-L319 HydrophobicContact CD2-CB 3.94Å; T263-L319 WeakPolarHBondContact CB-O 3.34Å; T263-L319 VanDerWaalsContact CG2-O 3.29Å; T263-L319 WeakPolarHBondContact CG2-O 3.5Å; T263-L319 PolarHBondContact OG1-O 3.45Å; F265-L319 HydrophobicContact CD1-CD1 4.15Å; F265-L319 HydrophobicContact CD1-CD2 3.95Å; F265-L319 HydrophobicContact CD1-CG 4.49Å; F265-L319 HydrophobicContact CD2-CD2 4.4Å; F265-L319 HydrophobicContact CE1-CD1 4.45Å; F265-L319 HydrophobicContact CE1-CD2 3.74Å; F265-L319 HydrophobicContact CE2-CD2 4.22Å; F265-L319 HydrophobicContact CG-CD2 4.28Å; F265-L319 HydrophobicContact CZ-CD2 3.89Å; F288-L319 HydrophobicContact CB-CD1 3.77Å; F288-L319 HydrophobicContact CD1-CD1 4.23Å; F288-L319 HydrophobicContact CD2-CD1 3.81Å; F288-L319 HydrophobicContact CG-CD1 3.66Å; H315-L319 HydrophobicContact CB-CD1 4.44Å; H315-L319 PolarHBondContact O-N 2.64Å; H315-L319 VanDerWaalsContact O-N 3.09Å; V316-L319 PolarHBondContact O-N 2.91Å; L319-D321 VanDerWaalsContact C-N 3.3Å; L319-F324 HydrophobicContact CD2-CD1 4.36Å; L319-F324 HydrophobicContact CD2-CE1 4.28Å
320	A	98.5	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.1	172.9	0	0	0	0	0	114.1	N234 F258 L259 R262 T263 V316 M318	N234-A320 HydrophobicContact CB-CB 3.99Å; N234-A320 VanDerWaalsContact ND2-C 3.34Å; F258-A320 HydrophobicContact CE1-CB 3.84Å; L259-A320 HydrophobicContact CD2-CB 3.86Å; R262-A320 PolarHBondContact NH2-O 2.87Å; T263-A320 WeakPolarHBondContact CG2-O 3.45Å; V316-A320 PolarHBondContact O-N 3.16Å; M318-A320 PolarHBondContact O-N 2.96Å; M318-A320 VanDerWaalsContact O-N 3.15Å
321	D	98	Very high	97.1	Very high	19 Å²	19	18.2 Å²	18.2	10%	0.102	9%	0.085	C	C	.	.	S	Bend	trans	-88.6	126.6	171.5	-179.4	-95.4	0	0	0	111	E230 N234 M318 L319 K323 F324 A325	E230-D321 HydrophobicContact CB-CB 4.43Å; N234-D321 PolarHBondContact ND2-N 3.42Å; N234-D321 VanDerWaalsContact ND2-N 3.18Å; M318-D321 WeakPolarHBondContact O-CB 3.4Å; M318-D321 PolarHBondContact O-N 3.3Å; L319-D321 VanDerWaalsContact C-N 3.3Å; D321-K323 VanDerWaalsContact C-N 3.3Å; D321-K323 PolarHBondContact O-N 3.12Å; D321-K323 WeakPolarHBondContact OD1-CA 3.37Å; D321-K323 VanDerWaalsContact OD1-CB 3.23Å; D321-K323 WeakPolarHBondContact OD1-CB 3.44Å; D321-K323 PolarHBondContact OD1-N 2.86Å; D321-F324 HydrophobicContact CB-CB 4.08Å; D321-F324 PolarHBondContact O-N 3.44Å; D321-F324 PolarHBondContact OD1-N 3.34Å; D321-A325 VanDerWaalsContact O-CB 3.27Å; D321-A325 WeakPolarHBondContact O-CB 3.4Å; D321-A325 PolarHBondContact O-N 3.42Å
322	P	96.8	Very high	97	Very high	74 Å²	74	18.2 Å²	18.2	48%	0.481	9%	0.085	S	C	.	.	H	α-helix	trans	-61.7	-31	-177.6	-25.9	34.8	0	0	0	115.3	T263 R326	T263-P322 HydrophobicContact CG2-CG 4.3Å; P322-R326 WeakPolarHBondContact O-CB 3.23Å; P322-R326 PolarHBondContact O-N 3.39Å
323	K	94.8	Very high	96.9	Very high	83 Å²	83	19.5 Å²	19.5	36%	0.361	9%	0.092	S	C	.	.	H	α-helix	trans	-76.1	-45.9	-178.6	-54.3	166	176.7	-159.9	0	109.3	D321 R326 F327 F417 E418	D321-K323 VanDerWaalsContact C-N 3.3Å; D321-K323 PolarHBondContact O-N 3.12Å; D321-K323 WeakPolarHBondContact OD1-CA 3.37Å; D321-K323 VanDerWaalsContact OD1-CB 3.23Å; D321-K323 WeakPolarHBondContact OD1-CB 3.44Å; D321-K323 PolarHBondContact OD1-N 2.86Å; K323-R326 PolarHBondContact O-N 2.85Å; K323-F327 PolarHBondContact O-N 2.91Å; K323-F417 HydrophobicContact CB-CB 4.08Å; K323-E418 WeakPolarHBondContact CD-OE1 3.36Å; K323-E418 WeakPolarHBondContact CE-OE1 3.42Å; K323-E418 IonicContact NZ-OE1 2.98Å; K323-E418 PolarHBondContact NZ-OE1 2.79Å; K323-E418 IonicContact NZ-OE2 3.61Å
324	F	96.5	Very high	96.8	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.009	9%	0.092	C	C	.	.	H	α-helix	trans	-64	-44	175.6	-168.2	-91.4	0	0	0	111.9	M318 L319 D321 R326 F327 S328 I354 Y368 F417	M318-F324 HydrophobicContact CB-CD1 3.58Å; M318-F324 HydrophobicContact CB-CD2 4.29Å; M318-F324 HydrophobicContact CB-CE1 3.59Å; M318-F324 HydrophobicContact CB-CE2 4.32Å; M318-F324 HydrophobicContact CB-CG 3.92Å; M318-F324 HydrophobicContact CB-CZ 3.96Å; M318-F324 HydrophobicContact CE-CB 3.94Å; M318-F324 HydrophobicContact CE-CD2 3.52Å; M318-F324 HydrophobicContact CE-CE2 4.12Å; M318-F324 HydrophobicContact CE-CG 3.74Å; M318-F324 WeakPolarHBondContact O-CB 3.3Å; M318-F324 WeakPolarHBondContact O-CD1 3.47Å; L319-F324 HydrophobicContact CD2-CD1 4.36Å; L319-F324 HydrophobicContact CD2-CE1 4.28Å; D321-F324 HydrophobicContact CB-CB 4.08Å; D321-F324 PolarHBondContact O-N 3.44Å; D321-F324 PolarHBondContact OD1-N 3.34Å; F324-R326 VanDerWaalsContact C-N 3.27Å; F324-R326 PolarHBondContact O-N 2.9Å; F324-F327 HydrophobicContact CD2-CD1 4.5Å; F324-F327 HydrophobicContact CE2-CD1 4.38Å; F324-F327 WeakPolarHBondContact O-CA 3.44Å; F324-F327 WeakPolarHBondContact O-CB 3.44Å; F324-F327 PolarHBondContact O-N 3.45Å; F324-S328 WeakPolarHBondContact CE1-OG 3.36Å; F324-S328 PolarHBondContact O-N 3.37Å; F324-S328 PolarHBondContact O-OG 3.13Å; F324-S328 VanDerWaalsContact O-OG 3.05Å; F324-I354 HydrophobicContact CE1-CG1 4.49Å; F324-I354 HydrophobicContact CE1-CG2 4.35Å; F324-I354 HydrophobicContact CE2-CG1 4.39Å; F324-I354 HydrophobicContact CZ-CB 4.18Å; F324-I354 HydrophobicContact CZ-CD1 4.37Å; F324-I354 HydrophobicContact CZ-CG1 3.8Å; F324-I354 HydrophobicContact CZ-CG2 3.95Å; F324-Y368 HydrophobicContact CD2-CD2 4.31Å; F324-Y368 AromaticContact CE2-CD2 3.54Å; F324-Y368 HydrophobicContact CE2-CD2 3.54Å; F324-Y368 AromaticContact CE2-CE2 3.71Å; F324-Y368 HydrophobicContact CE2-CE2 3.71Å; F324-Y368 HydrophobicContact CZ-CD2 4.35Å; F324-F417 HydrophobicContact CD2-CD1 4.06Å; F324-F417 AromaticContact CD2-CE1 3.96Å; F324-F417 HydrophobicContact CD2-CE1 3.96Å; F324-F417 HydrophobicContact CD2-CZ 4.42Å; F324-F417 HydrophobicContact CE2-CE1 4.45Å
325	A	97	Very high	96.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-57.9	-39.8	175.1	0	0	0	0	0	112.5	T263 F265 D321 Q329	T263-A325 HydrophobicContact CG2-CB 3.92Å; F265-A325 HydrophobicContact CD2-CB 3.82Å; F265-A325 HydrophobicContact CE2-CB 3.91Å; D321-A325 VanDerWaalsContact O-CB 3.27Å; D321-A325 WeakPolarHBondContact O-CB 3.4Å; D321-A325 PolarHBondContact O-N 3.42Å; A325-Q329 WeakPolarHBondContact O-CB 3.42Å; A325-Q329 PolarHBondContact O-N 2.85Å
326	R	94.7	Very high	96.5	Very high	142 Å²	142	19.6 Å²	19.6	54%	0.536	9%	0.093	S	C	.	.	H	α-helix	trans	-66.4	-42.9	174.5	-175.9	-178.8	-68.7	159.8	-1.7	111.6	P322 K323 F324 Q329 E330	P322-R326 WeakPolarHBondContact O-CB 3.23Å; P322-R326 PolarHBondContact O-N 3.39Å; K323-R326 PolarHBondContact O-N 2.85Å; F324-R326 VanDerWaalsContact C-N 3.27Å; F324-R326 PolarHBondContact O-N 2.9Å; R326-Q329 PolarHBondContact O-N 3.18Å; R326-E330 PolarHBondContact O-N 3.44Å
327	F	95	Very high	96.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.7	-50.5	175.2	172.6	-107.9	0	0	0	111.6	K323 F324 Q329 E330 I331 T353 I354 A420 M424	K323-F327 PolarHBondContact O-N 2.91Å; F324-F327 HydrophobicContact CD2-CD1 4.5Å; F324-F327 HydrophobicContact CE2-CD1 4.38Å; F324-F327 WeakPolarHBondContact O-CA 3.44Å; F324-F327 WeakPolarHBondContact O-CB 3.44Å; F324-F327 PolarHBondContact O-N 3.45Å; F327-Q329 VanDerWaalsContact C-N 3.34Å; F327-Q329 PolarHBondContact O-N 3.47Å; F327-E330 WeakPolarHBondContact O-CB 3.46Å; F327-E330 PolarHBondContact O-N 3.39Å; F327-E330 VanDerWaalsContact O-N 3.16Å; F327-I331 HydrophobicContact CE1-CD1 3.95Å; F327-I331 HydrophobicContact CE2-CD1 4.46Å; F327-I331 HydrophobicContact CZ-CD1 3.85Å; F327-I331 PolarHBondContact O-N 3.08Å; F327-T353 HydrophobicContact CE1-CG2 4.49Å; F327-T353 HydrophobicContact CZ-CG2 3.94Å; F327-I354 HydrophobicContact CD1-CD1 4.27Å; F327-I354 HydrophobicContact CD1-CG1 4.22Å; F327-I354 HydrophobicContact CE1-CD1 4.13Å; F327-I354 HydrophobicContact CE1-CG1 3.76Å; F327-A420 HydrophobicContact CD2-CB 4.26Å; F327-A420 HydrophobicContact CE2-CB 3.91Å; F327-A420 HydrophobicContact CZ-CB 4.43Å; F327-M424 HydrophobicContact CD2-CG 4.42Å; F327-M424 HydrophobicContact CE2-CB 4.17Å; F327-M424 HydrophobicContact CE2-CG 3.47Å; F327-M424 VanDerWaalsContact CE2-CG 3.47Å; F327-M424 HydrophobicContact CZ-CG 4.12Å
328	S	96.8	Very high	95.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.1	-42.4	177.5	-51.1	0	0	0	0	112.3	F324 E330 I331 G332 I354	F324-S328 WeakPolarHBondContact CE1-OG 3.36Å; F324-S328 PolarHBondContact O-N 3.37Å; F324-S328 PolarHBondContact O-OG 3.13Å; F324-S328 VanDerWaalsContact O-OG 3.05Å; S328-E330 VanDerWaalsContact C-N 3.33Å; S328-E330 PolarHBondContact O-N 3.19Å; S328-I331 PolarHBondContact O-N 2.88Å; S328-G332 PolarHBondContact O-N 2.86Å; S328-G332 VanDerWaalsContact O-N 3.16Å; S328-I354 WeakPolarHBondContact OG-CD1 3.4Å
329	Q	96.5	Very high	95.4	Very high	15 Å²	15	22.2 Å²	22.2	7%	0.07	11%	0.112	C	C	.	.	H	α-helix	trans	-65	-35.8	177.1	-174.6	177.3	29.4	0	0	112.5	L283 A284 R286 A325 R326 F327 I331 G332 L333	L283-Q329 WeakPolarHBondContact O-CA 3.42Å; A284-Q329 PolarHBondContact O-NE2 2.93Å; R286-Q329 HydrophobicContact CG-CB 4.34Å; R286-Q329 HydrophobicContact CG-CG 4.22Å; R286-Q329 VanDerWaalsContact CZ-OE1 3.29Å; A325-Q329 WeakPolarHBondContact O-CB 3.42Å; A325-Q329 PolarHBondContact O-N 2.85Å; R326-Q329 PolarHBondContact O-N 3.18Å; F327-Q329 VanDerWaalsContact C-N 3.34Å; F327-Q329 PolarHBondContact O-N 3.47Å; Q329-I331 VanDerWaalsContact C-N 3.33Å; Q329-I331 PolarHBondContact O-N 2.77Å; Q329-G332 PolarHBondContact O-N 3.01Å; Q329-G332 VanDerWaalsContact O-N 3.16Å; Q329-L333 HydrophobicContact CG-CD1 4.05Å; Q329-L333 HydrophobicContact CG-CG 4.27Å; Q329-L333 WeakPolarHBondContact O-CG 3.26Å; Q329-L333 PolarHBondContact O-N 3.16Å
330	E	93.5	Very high	94.9	Very high	40 Å²	40	25.8 Å²	25.8	19%	0.187	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-41.2	177.8	-164.2	81.1	-146	0	0	111.2	R326 F327 S328 G332 L333 A334 R425	R326-E330 PolarHBondContact O-N 3.44Å; F327-E330 WeakPolarHBondContact O-CB 3.46Å; F327-E330 PolarHBondContact O-N 3.39Å; F327-E330 VanDerWaalsContact O-N 3.16Å; S328-E330 VanDerWaalsContact C-N 3.33Å; S328-E330 PolarHBondContact O-N 3.19Å; E330-G332 VanDerWaalsContact C-N 3.33Å; E330-L333 PolarHBondContact O-N 2.79Å; E330-A334 WeakPolarHBondContact O-CB 3.35Å; E330-A334 PolarHBondContact O-N 3.2Å; E330-R425 HydrophobicContact CG-CG 4Å; E330-R425 IonicContact OE1-NE 2.79Å; E330-R425 IonicContact OE2-CZ 3.47Å; E330-R425 IonicContact OE2-NE 2.67Å; E330-R425 PolarHBondContact OE2-NE 3.23Å; E330-R425 IonicContact OE2-NH2 2.9Å; E330-R425 PolarHBondContact OE2-NH2 2.59Å
331	I	95.7	Very high	94.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-44.6	173	-58.4	-178.3	0	0	0	110.3	L280 F327 S328 Q329 A334 S335 L346 I354 M424	L280-I331 HydrophobicContact CD2-CG2 3.88Å; F327-I331 HydrophobicContact CE1-CD1 3.95Å; F327-I331 HydrophobicContact CE2-CD1 4.46Å; F327-I331 HydrophobicContact CZ-CD1 3.85Å; F327-I331 PolarHBondContact O-N 3.08Å; S328-I331 PolarHBondContact O-N 2.88Å; Q329-I331 VanDerWaalsContact C-N 3.33Å; Q329-I331 PolarHBondContact O-N 2.77Å; I331-A334 WeakPolarHBondContact O-CB 3.47Å; I331-A334 PolarHBondContact O-N 3.11Å; I331-S335 PolarHBondContact O-N 3Å; I331-S335 VanDerWaalsContact O-N 3.16Å; I331-L346 HydrophobicContact CG2-CD2 4.38Å; I331-I354 HydrophobicContact CD1-CD1 3.96Å; I331-I354 HydrophobicContact CD1-CG1 4.47Å; I331-M424 HydrophobicContact CG1-CE 4.14Å
332	G	97	Very high	94.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-46.5	177.6	0	0	0	0	0	112.9	L280 S328 Q329 E330 A334 S335	L280-G332 WeakPolarHBondContact O-CA 3.44Å; S328-G332 PolarHBondContact O-N 2.86Å; S328-G332 VanDerWaalsContact O-N 3.16Å; Q329-G332 PolarHBondContact O-N 3.01Å; Q329-G332 VanDerWaalsContact O-N 3.16Å; E330-G332 VanDerWaalsContact C-N 3.33Å; G332-A334 VanDerWaalsContact C-N 3.26Å; G332-A334 PolarHBondContact O-N 3.16Å; G332-S335 WeakPolarHBondContact O-CB 3.4Å; G332-S335 PolarHBondContact O-N 3.19Å; G332-S335 VanDerWaalsContact O-N 3.08Å; G332-S335 PolarHBondContact O-OG 2.75Å
333	L	96.2	Very high	94.3	Very high	26 Å²	26	28.4 Å²	28.4	14%	0.136	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-33.2	177.2	-71.1	169.2	0	0	0	112.7	A284 Q329 E330 S335 L336 R433 V437 I446	A284-L333 HydrophobicContact CB-CD2 3.99Å; A284-L333 HydrophobicContact CB-CG 4.26Å; Q329-L333 HydrophobicContact CG-CD1 4.05Å; Q329-L333 HydrophobicContact CG-CG 4.27Å; Q329-L333 WeakPolarHBondContact O-CG 3.26Å; Q329-L333 PolarHBondContact O-N 3.16Å; E330-L333 PolarHBondContact O-N 2.79Å; L333-S335 VanDerWaalsContact C-N 3.28Å; L333-S335 PolarHBondContact O-N 3Å; L333-L336 HydrophobicContact CD2-CD1 4.31Å; L333-R433 PolarHBondContact O-NH1 3.29Å; L333-V437 HydrophobicContact CB-CG2 4.19Å; L333-V437 HydrophobicContact CD2-CG2 4.06Å; L333-V437 VanDerWaalsContact O-CG2 3.32Å; L333-V437 WeakPolarHBondContact O-CG2 3.42Å; L333-I446 HydrophobicContact CD2-CD1 3.74Å
334	A	95.4	Very high	94.2	Very high	2 Å²	2	29 Å²	29	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-66.2	-31.2	174.6	0	0	0	0	0	112.5	E330 I331 G332 L336 T338 L346 V428 I431	E330-A334 WeakPolarHBondContact O-CB 3.35Å; E330-A334 PolarHBondContact O-N 3.2Å; I331-A334 WeakPolarHBondContact O-CB 3.47Å; I331-A334 PolarHBondContact O-N 3.11Å; G332-A334 VanDerWaalsContact C-N 3.26Å; G332-A334 PolarHBondContact O-N 3.16Å; A334-L336 VanDerWaalsContact C-N 3.31Å; A334-L336 PolarHBondContact O-N 3.37Å; A334-T338 WeakPolarHBondContact O-CG2 3.34Å; A334-L346 HydrophobicContact CB-CD1 3.94Å; A334-L346 HydrophobicContact CB-CD2 3.69Å; A334-L346 HydrophobicContact CB-CG 4.5Å; A334-V428 HydrophobicContact CB-CB 4.32Å; A334-V428 HydrophobicContact CB-CG1 3.88Å; A334-V428 HydrophobicContact CB-CG2 3.41Å; A334-V428 VanDerWaalsContact CB-CG2 3.41Å; A334-I431 HydrophobicContact CB-CD1 4.18Å
335	S	96	Very high	94.2	Very high	2 Å²	2	31 Å²	31	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-72.9	-19.5	-178.9	77.3	0	0	0	0	114.6	I331 G332 L333 G337 T338 I343	I331-S335 PolarHBondContact O-N 3Å; I331-S335 VanDerWaalsContact O-N 3.16Å; G332-S335 WeakPolarHBondContact O-CB 3.4Å; G332-S335 PolarHBondContact O-N 3.19Å; G332-S335 VanDerWaalsContact O-N 3.08Å; G332-S335 PolarHBondContact O-OG 2.75Å; L333-S335 VanDerWaalsContact C-N 3.28Å; L333-S335 PolarHBondContact O-N 3Å; S335-G337 PolarHBondContact O-N 3.08Å; S335-T338 PolarHBondContact O-OG1 3.35Å; S335-I343 WeakPolarHBondContact O-CD1 3.45Å
336	L	94	Very high	94.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	117.7	-171.4	-56.4	-172.8	0	0	0	111.7	F146 A284 L333 A334 T338 V437 I446	F146-L336 HydrophobicContact CB-CB 4.32Å; F146-L336 HydrophobicContact CB-CD2 4.1Å; F146-L336 HydrophobicContact CD1-CB 4.44Å; F146-L336 HydrophobicContact CD2-CB 3.81Å; F146-L336 HydrophobicContact CD2-CD1 4.06Å; F146-L336 HydrophobicContact CD2-CD2 4.22Å; F146-L336 HydrophobicContact CD2-CG 4.25Å; F146-L336 HydrophobicContact CE2-CB 4.2Å; F146-L336 HydrophobicContact CE2-CD1 4.33Å; F146-L336 HydrophobicContact CG-CB 3.95Å; F146-L336 HydrophobicContact CG-CD2 4.45Å; A284-L336 HydrophobicContact CB-CD1 3.82Å; A284-L336 HydrophobicContact CB-CD2 4.02Å; A284-L336 HydrophobicContact CB-CG 4.08Å; L333-L336 HydrophobicContact CD2-CD1 4.31Å; A334-L336 VanDerWaalsContact C-N 3.31Å; A334-L336 PolarHBondContact O-N 3.37Å; L336-T338 VanDerWaalsContact C-N 3.32Å; L336-T338 PolarHBondContact O-N 2.8Å; L336-V437 HydrophobicContact CB-CG1 4.4Å; L336-V437 HydrophobicContact CD1-CG2 4.31Å; L336-I446 HydrophobicContact CD1-CB 4.34Å; L336-I446 HydrophobicContact CD1-CD1 3.51Å; L336-I446 HydrophobicContact CD1-CG1 3.63Å; L336-I446 HydrophobicContact CD1-CG2 3.86Å
337	G	89.6	Confident	94.1	Very high	4 Å²	4	24.3 Å²	24.3	4%	0.041	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	20.4	174.8	0	0	0	0	0	115	S335	S335-G337 PolarHBondContact O-N 3.08Å
338	T	92.1	Very high	94.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	12%	0.124	C	C	.	.			trans	-93	161.8	175.3	65	0	0	0	0	111.5	P144 R277 A334 S335 L336 I343 I431	P144-T338 WeakPolarHBondContact CG-O 3.21Å; R277-T338 VanDerWaalsContact CZ-O 3.24Å; R277-T338 PolarHBondContact NH1-O 2.89Å; R277-T338 PolarHBondContact NH2-O 2.72Å; A334-T338 WeakPolarHBondContact O-CG2 3.34Å; S335-T338 PolarHBondContact O-OG1 3.35Å; L336-T338 VanDerWaalsContact C-N 3.32Å; L336-T338 PolarHBondContact O-N 2.8Å; T338-I343 WeakPolarHBondContact OG1-CD1 3.37Å; T338-I431 HydrophobicContact CG2-CG2 3.52Å
339	S	90.6	Very high	94.2	Very high	52 Å²	52	24.5 Å²	24.5	36%	0.364	12%	0.124	S	C	.	.			trans	-68.1	163.3	173.8	61.7	0	0	0	0	112.6	E341 E342 I343	S339-E341 PolarHBondContact O-N 3.39Å; S339-E342 PolarHBondContact O-N 3.32Å; S339-E342 VanDerWaalsContact O-N 3.12Å; S339-E342 WeakPolarHBondContact OG-CG 3.44Å; S339-I343 WeakPolarHBondContact O-CG1 3.5Å; S339-I343 PolarHBondContact O-N 3.22Å
340	D	88.6	Confident	94.2	Very high	77 Å²	77	23.8 Å²	23.8	41%	0.412	12%	0.121	S	C	.	.	H	α-helix	trans	-60.5	-33.2	177.2	-65.3	-29.5	0	0	0	113	R277 E342 I343 K344	R277-D340 IonicContact CZ-OD1 2.78Å; R277-D340 IonicContact NE-OD1 3.71Å; R277-D340 PolarHBondContact NE-OD1 3.49Å; R277-D340 IonicContact NH2-OD1 2.82Å; R277-D340 PolarHBondContact NH2-OD1 2.93Å; D340-E342 VanDerWaalsContact C-N 3.33Å; D340-E342 PolarHBondContact O-N 3.1Å; D340-I343 PolarHBondContact O-N 3.14Å; D340-K344 PolarHBondContact O-N 3.27Å
341	E	91.9	Very high	94.3	Very high	126 Å²	126	22.6 Å²	22.6	59%	0.589	12%	0.115	S	C	*	.	H	α-helix	trans	-61	-42.7	174.5	-167	-163.9	145.3	0	0	111.5	S339 K344 K345	S339-E341 PolarHBondContact O-N 3.39Å; E341-K344 PolarHBondContact O-N 2.97Å; E341-K345 WeakPolarHBondContact O-CG 3.36Å; E341-K345 PolarHBondContact O-N 3.3Å; E341-K345 WeakPolarHBondContact OE1-CE 3.42Å; E341-K345 IonicContact OE1-NZ 2.79Å; E341-K345 PolarHBondContact OE1-NZ 3.48Å
342	E	94.4	Very high	94.3	Very high	14 Å²	14	22.7 Å²	22.7	7%	0.065	12%	0.115	C	C	.	.	H	α-helix	trans	-73.2	-34.8	177.5	-62.8	-57.9	147.1	0	0	111.6	S339 D340 K344 K345 L346 I431	S339-E342 PolarHBondContact O-N 3.32Å; S339-E342 VanDerWaalsContact O-N 3.12Å; S339-E342 WeakPolarHBondContact OG-CG 3.44Å; D340-E342 VanDerWaalsContact C-N 3.33Å; D340-E342 PolarHBondContact O-N 3.1Å; E342-K344 VanDerWaalsContact C-N 3.32Å; E342-K344 PolarHBondContact O-N 3.3Å; E342-K345 PolarHBondContact O-N 3.37Å; E342-K345 IonicContact OE1-NZ 3.92Å; E342-K345 PolarHBondContact OE1-NZ 2.98Å; E342-K345 WeakPolarHBondContact OE2-CD 3.37Å; E342-K345 IonicContact OE2-NZ 3.4Å; E342-L346 WeakPolarHBondContact O-CG 3.38Å; E342-L346 PolarHBondContact O-N 2.81Å; E342-I431 HydrophobicContact CB-CG2 4.02Å; E342-I431 HydrophobicContact CG-CG2 3.97Å
343	I	93.7	Very high	94.3	Very high	7 Å²	7	22.7 Å²	22.7	4%	0.036	12%	0.115	C	C	.	.	H	α-helix	trans	-59.1	-44	170.5	-68.5	-61.6	0	0	0	110.7	A276 R277 S335 T338 S339 D340 K345 L346 A347	A276-I343 HydrophobicContact CB-CG2 3.53Å; R277-I343 HydrophobicContact CB-CD1 4.35Å; R277-I343 HydrophobicContact CB-CG1 4.33Å; R277-I343 HydrophobicContact CB-CG2 4.28Å; R277-I343 HydrophobicContact CG-CD1 4.4Å; S335-I343 WeakPolarHBondContact O-CD1 3.45Å; T338-I343 WeakPolarHBondContact OG1-CD1 3.37Å; S339-I343 WeakPolarHBondContact O-CG1 3.5Å; S339-I343 PolarHBondContact O-N 3.22Å; D340-I343 PolarHBondContact O-N 3.14Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 3.37Å; I343-L346 PolarHBondContact O-N 2.81Å; I343-A347 VanDerWaalsContact O-CB 3.31Å; I343-A347 WeakPolarHBondContact O-CB 3.27Å; I343-A347 PolarHBondContact O-N 3.36Å
344	K	92.8	Very high	94.3	Very high	97 Å²	97	21.6 Å²	21.6	42%	0.422	11%	0.11	S	C	.	.	H	α-helix	trans	-59.9	-44.4	177.3	-176.7	170.8	177.7	167.8	0	111.3	T4 S6 D340 E341 E342 L346 A347 T348	T4-K344 HydrophobicContact CG2-CG 4.3Å; S6-K344 PolarHBondContact OG-NZ 3.27Å; D340-K344 PolarHBondContact O-N 3.27Å; E341-K344 PolarHBondContact O-N 2.97Å; E342-K344 VanDerWaalsContact C-N 3.32Å; E342-K344 PolarHBondContact O-N 3.3Å; K344-L346 PolarHBondContact O-N 3.25Å; K344-A347 WeakPolarHBondContact O-CB 3.31Å; K344-A347 PolarHBondContact O-N 3.27Å; K344-T348 PolarHBondContact O-N 3.29Å; K344-T348 PolarHBondContact O-OG1 3.49Å; K344-T348 VanDerWaalsContact O-OG1 3.05Å
345	K	95.9	Very high	94.3	Very high	42 Å²	42	21.9 Å²	21.9	18%	0.183	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-45.4	176.3	-65	169	-167.2	163.9	0	111.8	E341 E342 I343 A347 T348 C349 I398 F427	E341-K345 WeakPolarHBondContact O-CG 3.36Å; E341-K345 PolarHBondContact O-N 3.3Å; E341-K345 WeakPolarHBondContact OE1-CE 3.42Å; E341-K345 IonicContact OE1-NZ 2.79Å; E341-K345 PolarHBondContact OE1-NZ 3.48Å; E342-K345 PolarHBondContact O-N 3.37Å; E342-K345 IonicContact OE1-NZ 3.92Å; E342-K345 PolarHBondContact OE1-NZ 2.98Å; E342-K345 WeakPolarHBondContact OE2-CD 3.37Å; E342-K345 IonicContact OE2-NZ 3.4Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 3.37Å; K345-A347 VanDerWaalsContact C-N 3.34Å; K345-A347 PolarHBondContact O-N 2.97Å; K345-T348 PolarHBondContact O-N 2.83Å; K345-C349 PolarHBondContact O-N 3.31Å; K345-I398 HydrophobicContact CB-CB 4.23Å; K345-I398 HydrophobicContact CB-CG2 3.72Å; K345-I398 HydrophobicContact CD-CD1 4.2Å; K345-I398 HydrophobicContact CG-CB 4.17Å; K345-I398 HydrophobicContact CG-CD1 4.24Å; K345-I398 HydrophobicContact CG-CG2 4.16Å; K345-F427 HydrophobicContact CB-CZ 3.83Å; K345-F427 HydrophobicContact CD-CZ 4.44Å
346	L	96.3	Very high	94.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-39.6	176.8	-74.3	168.8	0	0	0	112.2	L280 I331 A334 E342 I343 K344 C349 Y350 M424 F427 I431	L280-L346 HydrophobicContact CD1-CB 3.95Å; I331-L346 HydrophobicContact CG2-CD2 4.38Å; A334-L346 HydrophobicContact CB-CD1 3.94Å; A334-L346 HydrophobicContact CB-CD2 3.69Å; A334-L346 HydrophobicContact CB-CG 4.5Å; E342-L346 WeakPolarHBondContact O-CG 3.38Å; E342-L346 PolarHBondContact O-N 2.81Å; I343-L346 PolarHBondContact O-N 2.81Å; K344-L346 PolarHBondContact O-N 3.25Å; L346-C349 PolarHBondContact O-N 2.85Å; L346-Y350 WeakPolarHBondContact O-CB 3.32Å; L346-Y350 PolarHBondContact O-N 3.41Å; L346-M424 HydrophobicContact CD2-CE 4.12Å; L346-F427 HydrophobicContact CD2-CE1 3.99Å; L346-F427 HydrophobicContact CG-CE1 4.49Å; L346-I431 HydrophobicContact CD1-CD1 3.99Å; L346-I431 HydrophobicContact CD2-CD1 3.81Å; L346-I431 HydrophobicContact CG-CD1 3.95Å
347	A	94.8	Very high	94.5	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.025	11%	0.114	C	C	.	.	H	α-helix	trans	-60.9	-44.9	174.3	0	0	0	0	0	111.8	I2 A276 I343 K344 K345 C349 Y350 F351	I2-A347 HydrophobicContact CD1-CB 4.12Å; I2-A347 HydrophobicContact CG2-CB 3.49Å; I2-A347 VanDerWaalsContact CG2-CB 3.49Å; A276-A347 HydrophobicContact CB-CB 4.29Å; I343-A347 VanDerWaalsContact O-CB 3.31Å; I343-A347 WeakPolarHBondContact O-CB 3.27Å; I343-A347 PolarHBondContact O-N 3.36Å; K344-A347 WeakPolarHBondContact O-CB 3.31Å; K344-A347 PolarHBondContact O-N 3.27Å; K345-A347 VanDerWaalsContact C-N 3.34Å; K345-A347 PolarHBondContact O-N 2.97Å; A347-C349 PolarHBondContact O-N 3.08Å; A347-Y350 WeakPolarHBondContact O-CB 3.33Å; A347-Y350 PolarHBondContact O-N 3.16Å; A347-F351 WeakPolarHBondContact O-CB 3.32Å; A347-F351 PolarHBondContact O-N 2.99Å
348	T	96.1	Very high	94.9	Very high	4 Å²	4	22.5 Å²	22.5	3%	0.025	11%	0.112	C	C	.	.	H	α-helix	trans	-63.1	-41.7	175.3	-52.7	0	0	0	0	111.4	K344 K345 F351 F352 V397	K344-T348 PolarHBondContact O-N 3.29Å; K344-T348 PolarHBondContact O-OG1 3.49Å; K344-T348 VanDerWaalsContact O-OG1 3.05Å; K345-T348 PolarHBondContact O-N 2.83Å; T348-F351 PolarHBondContact O-N 3.12Å; T348-F352 HydrophobicContact CG2-CD2 3.79Å; T348-F352 HydrophobicContact CG2-CE2 3.9Å; T348-F352 WeakPolarHBondContact O-CD2 3.39Å; T348-F352 PolarHBondContact O-N 2.98Å; T348-V397 HydrophobicContact CG2-CG1 4.19Å; T348-V397 WeakPolarHBondContact CG2-O 3.14Å
349	C	96.5	Very high	95.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-42.9	173.5	-71.7	0	0	0	0	112.4	K345 L346 A347 F351 T353 M424	K345-C349 PolarHBondContact O-N 3.31Å; L346-C349 PolarHBondContact O-N 2.85Å; A347-C349 PolarHBondContact O-N 3.08Å; C349-F351 VanDerWaalsContact C-N 3.33Å; C349-T353 WeakPolarHBondContact O-CB 3.13Å; C349-T353 WeakPolarHBondContact O-CG2 3.24Å; C349-T353 PolarHBondContact O-N 2.92Å; C349-T353 PolarHBondContact O-OG1 2.9Å; C349-M424 HydrophobicContact CB-CE 3.74Å; C349-M424 HydrophobicContact CB-SD 3.9Å
350	Y	96.8	Very high	95.2	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-58.4	-46.8	174.4	175.1	-82.5	0	0	0	110.7	I2 F279 L280 L283 H315 L346 A347 T353 I354 E355	I2-Y350 HydrophobicContact CD1-CD1 3.33Å; I2-Y350 HydrophobicContact CD1-CD2 4.34Å; I2-Y350 HydrophobicContact CD1-CE1 3.92Å; I2-Y350 HydrophobicContact CD1-CG 3.6Å; I2-Y350 HydrophobicContact CG1-CD1 4.16Å; I2-Y350 HydrophobicContact CG1-CE1 4.34Å; F279-Y350 HydrophobicContact CE1-CE1 4.16Å; F279-Y350 AromaticContact CE1-CE2 3.79Å; F279-Y350 HydrophobicContact CE1-CE2 3.79Å; F279-Y350 AromaticContact CE1-CZ 3.54Å; F279-Y350 WeakPolarHBondContact CE1-OH 3.35Å; L280-Y350 HydrophobicContact CD2-CD2 3.88Å; L280-Y350 HydrophobicContact CD2-CG 4.16Å; L283-Y350 HydrophobicContact CD1-CD2 3.88Å; L283-Y350 HydrophobicContact CD1-CE2 3.66Å; H315-Y350 PolarHBondContact CE1-OH 3.2Å; L346-Y350 WeakPolarHBondContact O-CB 3.32Å; L346-Y350 PolarHBondContact O-N 3.41Å; A347-Y350 WeakPolarHBondContact O-CB 3.33Å; A347-Y350 PolarHBondContact O-N 3.16Å; Y350-T353 CarbonylContact O-C 3.58Å; Y350-T353 PolarHBondContact O-N 3.04Å; Y350-T353 PolarHBondContact O-OG1 3.15Å; Y350-I354 HydrophobicContact CD2-CB 3.99Å; Y350-I354 HydrophobicContact CD2-CD1 3.63Å; Y350-I354 HydrophobicContact CD2-CG1 4.15Å; Y350-I354 HydrophobicContact CD2-CG2 4.36Å; Y350-I354 HydrophobicContact CE1-CB 4.39Å; Y350-I354 HydrophobicContact CE1-CG2 4.36Å; Y350-I354 HydrophobicContact CE2-CB 3.76Å; Y350-I354 HydrophobicContact CE2-CD1 3.61Å; Y350-I354 HydrophobicContact CE2-CG1 4.17Å; Y350-I354 HydrophobicContact CE2-CG2 3.61Å; Y350-I354 HydrophobicContact CG-CB 4.35Å; Y350-I354 PolarHBondContact O-N 2.74Å; Y350-E355 HydrophobicContact CD1-CG 3.9Å; Y350-E355 HydrophobicContact CE1-CG 3.44Å; Y350-E355 VanDerWaalsContact CE1-CG 3.44Å; Y350-E355 WeakPolarHBondContact CE1-OE1 3.42Å; Y350-E355 PolarHBondContact O-N 2.95Å
351	F	96	Very high	95.3	Very high	15 Å²	15	24.3 Å²	24.3	7%	0.066	11%	0.107	C	C	.	.	I	π-helix	trans	-60.2	-51.8	-178.5	-167.5	-89.7	0	0	0	111.8	A347 T348 C349 T353 E355 F356 C402 V404	A347-F351 WeakPolarHBondContact O-CB 3.32Å; A347-F351 PolarHBondContact O-N 2.99Å; T348-F351 PolarHBondContact O-N 3.12Å; C349-F351 VanDerWaalsContact C-N 3.33Å; F351-T353 PolarHBondContact O-N 2.8Å; F351-T353 VanDerWaalsContact O-N 3.15Å; F351-E355 HydrophobicContact CD2-CB 4.45Å; F351-E355 HydrophobicContact CD2-CG 4.41Å; F351-E355 VanDerWaalsContact O-CB 3.3Å; F351-E355 WeakPolarHBondContact O-CB 3.42Å; F351-E355 PolarHBondContact O-N 3.42Å; F351-F356 AromaticContact CD1-CD2 3.82Å; F351-F356 HydrophobicContact CD1-CD2 3.82Å; F351-F356 HydrophobicContact CD1-CE2 4.37Å; F351-F356 HydrophobicContact CD2-CD2 4.39Å; F351-F356 HydrophobicContact CD2-CE2 4.35Å; F351-F356 AromaticContact CE1-CD2 3.4Å; F351-F356 HydrophobicContact CE1-CD2 3.4Å; F351-F356 VanDerWaalsContact CE1-CD2 3.4Å; F351-F356 AromaticContact CE1-CE2 3.66Å; F351-F356 HydrophobicContact CE1-CE2 3.66Å; F351-F356 HydrophobicContact CE1-CG 4.36Å; F351-F356 HydrophobicContact CE2-CD2 4.04Å; F351-F356 AromaticContact CE2-CE2 3.64Å; F351-F356 HydrophobicContact CE2-CE2 3.64Å; F351-F356 HydrophobicContact CG-CD2 4.3Å; F351-F356 AromaticContact CZ-CD2 3.53Å; F351-F356 HydrophobicContact CZ-CD2 3.53Å; F351-F356 AromaticContact CZ-CE2 3.24Å; F351-F356 HydrophobicContact CZ-CE2 3.24Å; F351-F356 HydrophobicContact CZ-CZ 4.25Å; F351-F356 PolarHBondContact O-N 2.98Å; F351-C402 HydrophobicContact CD1-CB 3.74Å; F351-C402 HydrophobicContact CD2-CB 4.02Å; F351-C402 HydrophobicContact CE1-CB 3.72Å; F351-C402 HydrophobicContact CE2-CB 4Å; F351-C402 HydrophobicContact CG-CB 3.89Å; F351-C402 HydrophobicContact CZ-CB 3.85Å; F351-V404 HydrophobicContact CE2-CG1 4.29Å
352	F	96.2	Very high	95.2	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.013	12%	0.12	C	C	.	.	I	π-helix	trans	-80.1	7.1	-179.4	-72.5	-68.6	0	0	0	114.9	T348 V397 E400 E401 F412	T348-F352 HydrophobicContact CG2-CD2 3.79Å; T348-F352 HydrophobicContact CG2-CE2 3.9Å; T348-F352 WeakPolarHBondContact O-CD2 3.39Å; T348-F352 PolarHBondContact O-N 2.98Å; F352-V397 HydrophobicContact CB-CG1 3.65Å; F352-V397 HydrophobicContact CD2-CG1 3.71Å; F352-V397 HydrophobicContact CG-CG1 4.03Å; F352-E400 HydrophobicContact CD2-CB 4.32Å; F352-E400 HydrophobicContact CE2-CB 3.52Å; F352-E400 HydrophobicContact CZ-CB 3.76Å; F352-E401 WeakPolarHBondContact CZ-O 3.47Å; F352-F412 HydrophobicContact CB-CD2 3.67Å; F352-F412 HydrophobicContact CB-CE2 4.24Å; F352-F412 HydrophobicContact CB-CG 4.41Å; F352-F412 AromaticContact CD1-CD2 3.42Å; F352-F412 HydrophobicContact CD1-CD2 3.42Å; F352-F412 VanDerWaalsContact CD1-CD2 3.42Å; F352-F412 AromaticContact CD1-CE2 3.54Å; F352-F412 HydrophobicContact CD1-CE2 3.54Å; F352-F412 HydrophobicContact CD2-CE2 4.34Å; F352-F412 HydrophobicContact CE1-CD2 4.18Å; F352-F412 AromaticContact CE1-CE2 3.87Å; F352-F412 HydrophobicContact CE1-CE2 3.87Å; F352-F412 AromaticContact CG-CD2 3.65Å; F352-F412 HydrophobicContact CG-CD2 3.65Å; F352-F412 AromaticContact CG-CE2 3.78Å; F352-F412 HydrophobicContact CG-CE2 3.78Å; F352-F412 HydrophobicContact CZ-CE2 4.4Å
353	T	96	Very high	95	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	I	π-helix	trans	-122	-74.7	171.3	55.8	0	0	0	0	111.2	F327 C349 Y350 F351 E355 G357 Y368 F392	F327-T353 HydrophobicContact CE1-CG2 4.49Å; F327-T353 HydrophobicContact CZ-CG2 3.94Å; C349-T353 WeakPolarHBondContact O-CB 3.13Å; C349-T353 WeakPolarHBondContact O-CG2 3.24Å; C349-T353 PolarHBondContact O-N 2.92Å; C349-T353 PolarHBondContact O-OG1 2.9Å; Y350-T353 CarbonylContact O-C 3.58Å; Y350-T353 PolarHBondContact O-N 3.04Å; Y350-T353 PolarHBondContact O-OG1 3.15Å; F351-T353 PolarHBondContact O-N 2.8Å; F351-T353 VanDerWaalsContact O-N 3.15Å; T353-E355 VanDerWaalsContact C-N 3.32Å; T353-E355 PolarHBondContact O-N 3.12Å; T353-G357 WeakPolarHBondContact O-CA 3.43Å; T353-G357 PolarHBondContact O-N 3.1Å; T353-Y368 WeakPolarHBondContact CA-OH 3.24Å; T353-Y368 WeakPolarHBondContact CB-OH 3.43Å; T353-Y368 WeakPolarHBondContact O-CE2 3.42Å; T353-F392 HydrophobicContact CG2-CD1 4.41Å; T353-F392 HydrophobicContact CG2-CD2 3.56Å; T353-F392 HydrophobicContact CG2-CE1 4.05Å; T353-F392 HydrophobicContact CG2-CE2 3.14Å; T353-F392 HydrophobicContact CG2-CG 4.19Å; T353-F392 HydrophobicContact CG2-CZ 3.41Å; T353-F392 VanDerWaalsContact CG2-CZ 3.41Å
354	I	96.8	Very high	95	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	18%	0.179	C	C	.	.	I	π-helix	trans	-65.9	-33.1	-174	-60.6	-172.6	0	0	0	112	F324 F327 S328 I331 Y350 G369 A370	F324-I354 HydrophobicContact CE1-CG1 4.49Å; F324-I354 HydrophobicContact CE1-CG2 4.35Å; F324-I354 HydrophobicContact CE2-CG1 4.39Å; F324-I354 HydrophobicContact CZ-CB 4.18Å; F324-I354 HydrophobicContact CZ-CD1 4.37Å; F324-I354 HydrophobicContact CZ-CG1 3.8Å; F324-I354 HydrophobicContact CZ-CG2 3.95Å; F327-I354 HydrophobicContact CD1-CD1 4.27Å; F327-I354 HydrophobicContact CD1-CG1 4.22Å; F327-I354 HydrophobicContact CE1-CD1 4.13Å; F327-I354 HydrophobicContact CE1-CG1 3.76Å; S328-I354 WeakPolarHBondContact OG-CD1 3.4Å; I331-I354 HydrophobicContact CD1-CD1 3.96Å; I331-I354 HydrophobicContact CD1-CG1 4.47Å; Y350-I354 HydrophobicContact CD2-CB 3.99Å; Y350-I354 HydrophobicContact CD2-CD1 3.63Å; Y350-I354 HydrophobicContact CD2-CG1 4.15Å; Y350-I354 HydrophobicContact CD2-CG2 4.36Å; Y350-I354 HydrophobicContact CE1-CB 4.39Å; Y350-I354 HydrophobicContact CE1-CG2 4.36Å; Y350-I354 HydrophobicContact CE2-CB 3.76Å; Y350-I354 HydrophobicContact CE2-CD1 3.61Å; Y350-I354 HydrophobicContact CE2-CG1 4.17Å; Y350-I354 HydrophobicContact CE2-CG2 3.61Å; Y350-I354 HydrophobicContact CG-CB 4.35Å; Y350-I354 PolarHBondContact O-N 2.74Å; I354-G369 WeakPolarHBondContact O-CA 3.38Å; I354-A370 PolarHBondContact O-N 3.33Å
355	E	96.1	Very high	95.2	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.037	17%	0.168	C	C	.	.	I	π-helix	trans	-90	-47.4	179.1	-60.8	-79.4	-169.9	0	0	112.5	M1 H310 H315 Y350 F351 T353 G369 A370 G371	M1-E355 PolarHBondContact N-OE1 3.39Å; H310-E355 IonicContact CE1-OE2 3.02Å; H310-E355 PolarHBondContact CE1-OE2 3.48Å; H310-E355 IonicContact NE2-OE2 3.45Å; H310-E355 PolarHBondContact NE2-OE2 2.84Å; H315-E355 IonicContact CE1-OE1 3.86Å; H315-E355 IonicContact CE1-OE2 3.53Å; H315-E355 IonicContact NE2-OE1 3.24Å; H315-E355 IonicContact NE2-OE2 2.66Å; H315-E355 PolarHBondContact NE2-OE2 2.84Å; Y350-E355 HydrophobicContact CD1-CG 3.9Å; Y350-E355 HydrophobicContact CE1-CG 3.44Å; Y350-E355 VanDerWaalsContact CE1-CG 3.44Å; Y350-E355 WeakPolarHBondContact CE1-OE1 3.42Å; Y350-E355 PolarHBondContact O-N 2.95Å; F351-E355 HydrophobicContact CD2-CB 4.45Å; F351-E355 HydrophobicContact CD2-CG 4.41Å; F351-E355 VanDerWaalsContact O-CB 3.3Å; F351-E355 WeakPolarHBondContact O-CB 3.42Å; F351-E355 PolarHBondContact O-N 3.42Å; T353-E355 VanDerWaalsContact C-N 3.32Å; T353-E355 PolarHBondContact O-N 3.12Å; E355-G369 CarbonylContact O-C 3.52Å; E355-G369 WeakPolarHBondContact O-CA 3.31Å; E355-A370 PolarHBondContact O-N 2.88Å; E355-G371 WeakPolarHBondContact O-CA 3.41Å; E355-G371 PolarHBondContact O-N 3.39Å
356	F	96.7	Very high	95.2	Very high	19 Å²	19	33.9 Å²	33.9	8%	0.083	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	22.9	-171.2	-66.7	-81.3	0	0	0	114.6	F351 L372 E378 Q408 Y411	F351-F356 AromaticContact CD1-CD2 3.82Å; F351-F356 HydrophobicContact CD1-CD2 3.82Å; F351-F356 HydrophobicContact CD1-CE2 4.37Å; F351-F356 HydrophobicContact CD2-CD2 4.39Å; F351-F356 HydrophobicContact CD2-CE2 4.35Å; F351-F356 AromaticContact CE1-CD2 3.4Å; F351-F356 HydrophobicContact CE1-CD2 3.4Å; F351-F356 VanDerWaalsContact CE1-CD2 3.4Å; F351-F356 AromaticContact CE1-CE2 3.66Å; F351-F356 HydrophobicContact CE1-CE2 3.66Å; F351-F356 HydrophobicContact CE1-CG 4.36Å; F351-F356 HydrophobicContact CE2-CD2 4.04Å; F351-F356 AromaticContact CE2-CE2 3.64Å; F351-F356 HydrophobicContact CE2-CE2 3.64Å; F351-F356 HydrophobicContact CG-CD2 4.3Å; F351-F356 AromaticContact CZ-CD2 3.53Å; F351-F356 HydrophobicContact CZ-CD2 3.53Å; F351-F356 AromaticContact CZ-CE2 3.24Å; F351-F356 HydrophobicContact CZ-CE2 3.24Å; F351-F356 HydrophobicContact CZ-CZ 4.25Å; F351-F356 PolarHBondContact O-N 2.98Å; F356-L372 HydrophobicContact CD1-CD2 3.83Å; F356-L372 HydrophobicContact CD1-CG 3.99Å; F356-L372 HydrophobicContact CE1-CD2 4.41Å; F356-E378 VanDerWaalsContact CE1-CD 3.48Å; F356-E378 VanDerWaalsContact CE1-OE1 3.29Å; F356-E378 WeakPolarHBondContact CE1-OE1 3.49Å; F356-E378 WeakPolarHBondContact CE1-OE2 3.48Å; F356-Q408 HydrophobicContact CB-CG 4.37Å; F356-Q408 HydrophobicContact CD1-CG 3.92Å; F356-Q408 HydrophobicContact CD2-CG 4.48Å; F356-Q408 HydrophobicContact CE1-CG 4.36Å; F356-Q408 HydrophobicContact CG-CG 3.99Å; F356-Y411 HydrophobicContact CB-CD1 4.37Å; F356-Y411 HydrophobicContact CD1-CE1 4.3Å
357	G	96.5	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	145.2	-177.8	0	0	0	0	0	114.6	T353 Y368 G369	T353-G357 WeakPolarHBondContact O-CA 3.43Å; T353-G357 PolarHBondContact O-N 3.1Å; G357-Y368 VanDerWaalsContact C-CE1 3.41Å; G357-Y368 WeakPolarHBondContact O-CD1 3.43Å; G357-Y368 PolarHBondContact O-N 2.95Å; G357-Y368 VanDerWaalsContact O-N 3.16Å; G357-G369 PolarHBondContact O-N 2.95Å
358	L	97.5	Very high	95.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	154.9	175.1	-62.4	172	0	0	0	110.5	L365 K366 A367 Y368 L372 L383 I389 Y411 F412 E413 T414	L358-L365 HydrophobicContact CB-CD1 3.9Å; L358-L365 HydrophobicContact CB-CG 4.36Å; L358-L365 HydrophobicContact CD1-CD1 4.26Å; L358-L365 HydrophobicContact CD1-CD2 3.91Å; L358-L365 HydrophobicContact CD1-CG 4.18Å; L358-K366 CarbonylContact C-O 3.09Å; L358-K366 WeakPolarHBondContact CA-O 3.37Å; L358-A367 HydrophobicContact CD2-CB 4.03Å; L358-Y368 VanDerWaalsContact C-CE1 3.5Å; L358-Y368 VanDerWaalsContact O-CE1 3.26Å; L358-Y368 WeakPolarHBondContact O-CE1 3.47Å; L358-L372 HydrophobicContact CD2-CD1 3.47Å; L358-L372 VanDerWaalsContact CD2-CD1 3.47Å; L358-L372 HydrophobicContact CG-CD1 4.09Å; L358-L383 HydrophobicContact CD2-CD2 3.96Å; L358-I389 HydrophobicContact CD1-CD1 3.64Å; L358-Y411 VanDerWaalsContact CD1-CB 3.44Å; L358-Y411 HydrophobicContact CD1-CG 4.1Å; L358-F412 PolarHBondContact N-O 3.49Å; L358-E413 HydrophobicContact CB-CB 4.28Å; L358-E413 CarbonylContact O-C 3.54Å; L358-E413 VanDerWaalsContact O-CA 3.22Å; L358-E413 WeakPolarHBondContact O-CA 3.37Å; L358-T414 PolarHBondContact O-N 3.29Å; L358-T414 PolarHBondContact O-OG1 3.29Å
359	C	96	Very high	95.5	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.041	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.9	172	64.9	0	0	0	0	110.8	C228 K366 Y368 T414	C228-C359 VanDerWaalsContact CB-SG 3.55Å; C359-K366 PolarHBondContact N-O 3.47Å; C359-K366 PolarHBondContact O-N 3.14Å; C359-Y368 HydrophobicContact CB-CD1 4.04Å; C359-Y368 HydrophobicContact CB-CE1 4.36Å; C359-T414 WeakPolarHBondContact CA-O 3.42Å
360	R	92.6	Very high	95.6	Very high	119 Å²	119	33.7 Å²	33.7	45%	0.449	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.4	175.5	-165.1	167	-71.8	-131.6	1.7	110.5	Q364 E413	R360-Q364 CarbonylContact C-O 3.57Å; R360-Q364 WeakPolarHBondContact CA-O 3.39Å; R360-E413 IonicContact CZ-OE2 3.58Å; R360-E413 IonicContact NE-OE2 3.57Å; R360-E413 PolarHBondContact NE-OE2 3.13Å; R360-E413 IonicContact NH2-OE1 2.78Å; R360-E413 IonicContact NH2-OE2 3.68Å; R360-E413 PolarHBondContact NH2-OE2 3.42Å
361	Q	92.2	Very high	95.5	Very high	43 Å²	43	33.9 Å²	33.9	20%	0.201	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.5	178.3	-67.8	-178.6	-36	0	0	108.4	C228 E230 N363 Q364 K366	C228-Q361 VanDerWaalsContact CA-OE1 3.25Å; E230-Q361 PolarHBondContact OE2-NE2 3.31Å; Q361-N363 PolarHBondContact O-N 3.32Å; Q361-Q364 PolarHBondContact N-O 2.77Å; Q361-Q364 WeakPolarHBondContact O-CA 3.4Å; Q361-Q364 WeakPolarHBondContact O-CB 3.1Å; Q361-Q364 PolarHBondContact O-N 3.04Å; Q361-K366 HydrophobicContact CB-CG 4.28Å
362	D	90.2	Very high	95.5	Very high	160 Å²	160	33.2 Å²	33.2	86%	0.856	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	43.5	-178.1	-53.7	-42.2	0	0	0	113.2	Q364	D362-Q364 PolarHBondContact O-N 3.2Å; D362-Q364 VanDerWaalsContact O-N 3.11Å
363	N	90.4	Very high	95.5	Very high	148 Å²	148	33 Å²	33	79%	0.791	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	10.5	-174.3	-66	-28.4	0	0	0	115.8	Q361	Q361-N363 PolarHBondContact O-N 3.32Å
364	Q	93.8	Very high	95.5	Very high	116 Å²	116	33.5 Å²	33.5	54%	0.542	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	142.1	174.2	-62.4	-170.4	-15.5	0	0	111.3	R360 Q361 D362	R360-Q364 CarbonylContact C-O 3.57Å; R360-Q364 WeakPolarHBondContact CA-O 3.39Å; Q361-Q364 PolarHBondContact N-O 2.77Å; Q361-Q364 WeakPolarHBondContact O-CA 3.4Å; Q361-Q364 WeakPolarHBondContact O-CB 3.1Å; Q361-Q364 PolarHBondContact O-N 3.04Å; D362-Q364 PolarHBondContact O-N 3.2Å; D362-Q364 VanDerWaalsContact O-N 3.11Å
365	L	95.5	Very high	95.4	Very high	39 Å²	39	34.5 Å²	34.5	20%	0.204	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	134	171.2	-162.5	63.2	0	0	0	109.4	L358 L383 I389 E413	L358-L365 HydrophobicContact CB-CD1 3.9Å; L358-L365 HydrophobicContact CB-CG 4.36Å; L358-L365 HydrophobicContact CD1-CD1 4.26Å; L358-L365 HydrophobicContact CD1-CD2 3.91Å; L358-L365 HydrophobicContact CD1-CG 4.18Å; L365-L383 HydrophobicContact CB-CD2 4.13Å; L365-L383 HydrophobicContact CD2-CD2 4.07Å; L365-L383 HydrophobicContact CG-CD2 3.86Å; L365-I389 HydrophobicContact CD1-CG2 4.42Å; L365-I389 HydrophobicContact CD2-CD1 3.93Å; L365-I389 HydrophobicContact CD2-CG1 3.92Å; L365-I389 HydrophobicContact CD2-CG2 4.48Å; L365-E413 HydrophobicContact CD1-CB 4.08Å; L365-E413 WeakPolarHBondContact CD1-OE2 3.39Å
366	K	97.1	Very high	95.2	Very high	24 Å²	24	35.2 Å²	35.2	10%	0.104	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.1	178.8	-59	-67.3	174.4	179.2	0	109.7	T225 S226 C228 L358 C359 Q361	T225-K366 PolarHBondContact O-NZ 2.98Å; S226-K366 CarbonylContact O-C 3.35Å; S226-K366 WeakPolarHBondContact O-CA 3.39Å; C228-K366 HydrophobicContact CB-CB 4.12Å; L358-K366 CarbonylContact C-O 3.09Å; L358-K366 WeakPolarHBondContact CA-O 3.37Å; C359-K366 PolarHBondContact N-O 3.47Å; C359-K366 PolarHBondContact O-N 3.14Å; Q361-K366 HydrophobicContact CB-CG 4.28Å
367	A	98	Very high	95	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	140.2	175.8	0	0	0	0	0	111.8	S226 C228 L358 L372 L373 L379	S226-A367 PolarHBondContact O-N 2.85Å; C228-A367 PolarHBondContact N-O 3.45Å; L358-A367 HydrophobicContact CD2-CB 4.03Å; A367-L372 HydrophobicContact CB-CB 4.08Å; A367-L372 HydrophobicContact CB-CD1 4.08Å; A367-L373 HydrophobicContact CB-CD2 4.03Å; A367-L373 HydrophobicContact CB-CG 4.3Å; A367-L379 HydrophobicContact CB-CD1 3.47Å; A367-L379 VanDerWaalsContact CB-CD1 3.47Å
368	Y	97.7	Very high	95	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	20%	0.197	C	C	.	.			trans	-129.2	-12.3	165	74.9	-98.2	0	0	0	112.4	F324 T353 G357 L358 C359 F417	F324-Y368 HydrophobicContact CD2-CD2 4.31Å; F324-Y368 AromaticContact CE2-CD2 3.54Å; F324-Y368 HydrophobicContact CE2-CD2 3.54Å; F324-Y368 AromaticContact CE2-CE2 3.71Å; F324-Y368 HydrophobicContact CE2-CE2 3.71Å; F324-Y368 HydrophobicContact CZ-CD2 4.35Å; T353-Y368 WeakPolarHBondContact CA-OH 3.24Å; T353-Y368 WeakPolarHBondContact CB-OH 3.43Å; T353-Y368 WeakPolarHBondContact O-CE2 3.42Å; G357-Y368 VanDerWaalsContact C-CE1 3.41Å; G357-Y368 WeakPolarHBondContact O-CD1 3.43Å; G357-Y368 PolarHBondContact O-N 2.95Å; G357-Y368 VanDerWaalsContact O-N 3.16Å; L358-Y368 VanDerWaalsContact C-CE1 3.5Å; L358-Y368 VanDerWaalsContact O-CE1 3.26Å; L358-Y368 WeakPolarHBondContact O-CE1 3.47Å; C359-Y368 HydrophobicContact CB-CD1 4.04Å; C359-Y368 HydrophobicContact CB-CE1 4.36Å; Y368-F417 AromaticContact CD1-CE1 3.79Å; Y368-F417 HydrophobicContact CD1-CE1 3.79Å; Y368-F417 HydrophobicContact CD1-CZ 4.24Å; Y368-F417 AromaticContact CD2-CE1 3.85Å; Y368-F417 HydrophobicContact CD2-CE1 3.85Å; Y368-F417 HydrophobicContact CD2-CZ 4.45Å; Y368-F417 HydrophobicContact CE1-CE1 4.02Å; Y368-F417 HydrophobicContact CE2-CE1 4.11Å; Y368-F417 AromaticContact CG-CE1 3.69Å; Y368-F417 HydrophobicContact CG-CE1 3.69Å; Y368-F417 AromaticContact CG-CZ 4Å; Y368-F417 HydrophobicContact CG-CZ 4Å
369	G	97.3	Very high	94.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.			trans	-65.6	132.8	174.7	0	0	0	0	0	112.3	I354 E355 G357 G371 L372 L373	I354-G369 WeakPolarHBondContact O-CA 3.38Å; E355-G369 CarbonylContact O-C 3.52Å; E355-G369 WeakPolarHBondContact O-CA 3.31Å; G357-G369 PolarHBondContact O-N 2.95Å; G369-G371 PolarHBondContact O-N 3.41Å; G369-L372 WeakPolarHBondContact O-CB 3.42Å; G369-L372 PolarHBondContact O-N 2.67Å; G369-L373 WeakPolarHBondContact O-CB 3.41Å; G369-L373 WeakPolarHBondContact O-CG 3.31Å; G369-L373 PolarHBondContact O-N 3.33Å
370	A	97.4	Very high	94.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-38.8	-176.8	0	0	0	0	0	113.9	H315 I354 E355 L372 L373 S374	H315-A370 HydrophobicContact CB-CB 4.33Å; H315-A370 VanDerWaalsContact CD2-CB 3.44Å; H315-A370 WeakPolarHBondContact CD2-CB 3.29Å; H315-A370 WeakPolarHBondContact CE1-CB 3.35Å; H315-A370 VanDerWaalsContact CG-CB 3.47Å; H315-A370 WeakPolarHBondContact ND1-CB 3.25Å; H315-A370 WeakPolarHBondContact NE2-CB 3.41Å; I354-A370 PolarHBondContact O-N 3.33Å; E355-A370 PolarHBondContact O-N 2.88Å; A370-L372 VanDerWaalsContact C-N 3.32Å; A370-L372 PolarHBondContact O-N 2.8Å; A370-L373 PolarHBondContact O-N 3.43Å; A370-S374 VanDerWaalsContact O-CB 3.32Å; A370-S374 WeakPolarHBondContact O-CB 3.33Å; A370-S374 PolarHBondContact O-N 3.35Å; A370-S374 PolarHBondContact O-OG 2.96Å
371	G	95.2	Very high	95	Very high	6 Å²	6	38.6 Å²	38.6	6%	0.062	21%	0.206	C	C	.	.	H	α-helix	trans	-58.6	-43.6	173.6	0	0	0	0	0	111.8	E355 G369 S374 S375	E355-G371 WeakPolarHBondContact O-CA 3.41Å; E355-G371 PolarHBondContact O-N 3.39Å; G369-G371 PolarHBondContact O-N 3.41Å; G371-S374 PolarHBondContact O-OG 3.04Å; G371-S375 WeakPolarHBondContact O-CB 3.47Å; G371-S375 PolarHBondContact O-N 3.04Å
372	L	96.2	Very high	95.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-49.9	173.4	-61.3	179.3	0	0	0	111.3	F356 L358 A367 G369 A370 S374 S375 E378 L379 A382 Y411	F356-L372 HydrophobicContact CD1-CD2 3.83Å; F356-L372 HydrophobicContact CD1-CG 3.99Å; F356-L372 HydrophobicContact CE1-CD2 4.41Å; L358-L372 HydrophobicContact CD2-CD1 3.47Å; L358-L372 VanDerWaalsContact CD2-CD1 3.47Å; L358-L372 HydrophobicContact CG-CD1 4.09Å; A367-L372 HydrophobicContact CB-CB 4.08Å; A367-L372 HydrophobicContact CB-CD1 4.08Å; G369-L372 WeakPolarHBondContact O-CB 3.42Å; G369-L372 PolarHBondContact O-N 2.67Å; A370-L372 VanDerWaalsContact C-N 3.32Å; A370-L372 PolarHBondContact O-N 2.8Å; L372-S374 PolarHBondContact O-N 3.17Å; L372-S374 VanDerWaalsContact O-N 3.15Å; L372-S375 PolarHBondContact O-N 3.48Å; L372-S375 VanDerWaalsContact O-O 3.14Å; L372-E378 HydrophobicContact CD2-CB 4.42Å; L372-E378 HydrophobicContact CD2-CG 3.87Å; L372-L379 HydrophobicContact CB-CD1 4.2Å; L372-L379 WeakPolarHBondContact O-CB 3.45Å; L372-A382 HydrophobicContact CD1-CB 4.14Å; L372-A382 HydrophobicContact CD2-CB 3.59Å; L372-Y411 HydrophobicContact CD1-CD1 4.4Å; L372-Y411 HydrophobicContact CD2-CD1 4.26Å; L372-Y411 HydrophobicContact CD2-CE1 3.75Å
373	L	97.4	Very high	95.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.7	-12.8	-174.8	-68.8	167.6	0	0	0	113.5	Y223 A227 F231 A367 G369 A370	Y223-L373 HydrophobicContact CD1-CD2 3.89Å; Y223-L373 HydrophobicContact CE1-CB 4.09Å; Y223-L373 HydrophobicContact CE1-CD2 3.77Å; Y223-L373 WeakPolarHBondContact CE1-O 3.44Å; Y223-L373 VanDerWaalsContact CZ-O 3.26Å; Y223-L373 PolarHBondContact OH-O 3.4Å; A227-L373 HydrophobicContact CB-CD2 3.63Å; F231-L373 HydrophobicContact CD2-CD1 3.26Å; F231-L373 HydrophobicContact CD2-CG 4.38Å; F231-L373 HydrophobicContact CE2-CB 4.17Å; F231-L373 HydrophobicContact CE2-CD1 3.38Å; F231-L373 HydrophobicContact CE2-CD2 4.42Å; F231-L373 HydrophobicContact CE2-CG 4.19Å; F231-L373 HydrophobicContact CG-CD1 3.98Å; F231-L373 HydrophobicContact CZ-CB 4.41Å; F231-L373 HydrophobicContact CZ-CD1 4.17Å; F231-L373 HydrophobicContact CZ-CD2 4.43Å; A367-L373 HydrophobicContact CB-CD2 4.03Å; A367-L373 HydrophobicContact CB-CG 4.3Å; G369-L373 WeakPolarHBondContact O-CB 3.41Å; G369-L373 WeakPolarHBondContact O-CG 3.31Å; G369-L373 PolarHBondContact O-N 3.33Å; A370-L373 PolarHBondContact O-N 3.43Å
374	S	96	Very high	95.7	Very high	9 Å²	9	26 Å²	26	6%	0.063	14%	0.143	C	C	.	.	H	α-helix	trans	-106.9	-2.7	176.8	58.8	0	0	0	0	114.2	H310 A370 G371 L372	H310-S374 PolarHBondContact ND1-OG 3.29Å; A370-S374 VanDerWaalsContact O-CB 3.32Å; A370-S374 WeakPolarHBondContact O-CB 3.33Å; A370-S374 PolarHBondContact O-N 3.35Å; A370-S374 PolarHBondContact O-OG 2.96Å; G371-S374 PolarHBondContact O-OG 3.04Å; L372-S374 PolarHBondContact O-N 3.17Å; L372-S374 VanDerWaalsContact O-N 3.15Å
375	S	93.9	Very high	95.7	Very high	25 Å²	25	27.9 Å²	27.9	18%	0.175	16%	0.157	C	C	.	.			trans	-119.5	110.3	-179	177.9	0	0	0	0	110.8	G371 L372 A377 E378 L379	G371-S375 WeakPolarHBondContact O-CB 3.47Å; G371-S375 PolarHBondContact O-N 3.04Å; L372-S375 PolarHBondContact O-N 3.48Å; L372-S375 VanDerWaalsContact O-O 3.14Å; S375-A377 VanDerWaalsContact C-N 3.33Å; S375-A377 PolarHBondContact O-N 2.83Å; S375-E378 VanDerWaalsContact OG-CB 3.28Å; S375-E378 WeakPolarHBondContact OG-CB 3.45Å; S375-E378 PolarHBondContact OG-N 3.13Å; S375-L379 WeakPolarHBondContact O-CB 3.39Å; S375-L379 PolarHBondContact O-N 3.47Å
376	V	92.3	Very high	95.7	Very high	22 Å²	22	33.9 Å²	33.9	13%	0.133	18%	0.181	C	C	.	.	H	α-helix	trans	-57.2	-48	179.1	168.6	0	0	0	0	111.2	E218 L219 L222 F301 Q380	E218-V376 HydrophobicContact CB-CG2 4.32Å; E218-V376 HydrophobicContact CG-CG1 4.27Å; E218-V376 HydrophobicContact CG-CG2 3.8Å; L219-V376 HydrophobicContact CD2-CG2 3.67Å; L219-V376 HydrophobicContact CG-CG2 4.18Å; L222-V376 HydrophobicContact CD1-CB 4.37Å; L222-V376 HydrophobicContact CD1-CG1 3.93Å; L222-V376 HydrophobicContact CD1-CG2 4.28Å; F301-V376 HydrophobicContact CD1-CG2 3.97Å; F301-V376 HydrophobicContact CE1-CG2 4.26Å; V376-Q380 WeakPolarHBondContact O-CG 3.43Å; V376-Q380 PolarHBondContact O-N 3.14Å
377	A	93	Very high	95.6	Very high	50 Å²	50	33.3 Å²	33.3	41%	0.413	18%	0.181	S	C	.	.	H	α-helix	trans	-71.4	-42.9	-174.4	0	0	0	0	0	111.8	S375 Q380 H381 F407	S375-A377 VanDerWaalsContact C-N 3.33Å; S375-A377 PolarHBondContact O-N 2.83Å; A377-Q380 PolarHBondContact O-N 2.9Å; A377-H381 WeakPolarHBondContact O-CB 3.34Å; A377-H381 PolarHBondContact O-N 3.34Å; A377-F407 HydrophobicContact CB-CE1 4.38Å; A377-F407 HydrophobicContact CB-CZ 3.82Å
378	E	94.7	Very high	95.6	Very high	17 Å²	17	37.1 Å²	37.1	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-74.5	-34	-178	-158.9	167.3	-174.5	0	0	112	F356 L372 S375 Q380 H381 A382 F407 Q408 Y411	F356-E378 VanDerWaalsContact CE1-CD 3.48Å; F356-E378 VanDerWaalsContact CE1-OE1 3.29Å; F356-E378 WeakPolarHBondContact CE1-OE1 3.49Å; F356-E378 WeakPolarHBondContact CE1-OE2 3.48Å; L372-E378 HydrophobicContact CD2-CB 4.42Å; L372-E378 HydrophobicContact CD2-CG 3.87Å; S375-E378 VanDerWaalsContact OG-CB 3.28Å; S375-E378 WeakPolarHBondContact OG-CB 3.45Å; S375-E378 PolarHBondContact OG-N 3.13Å; E378-Q380 VanDerWaalsContact C-N 3.33Å; E378-Q380 PolarHBondContact O-N 2.91Å; E378-H381 PolarHBondContact O-N 3.41Å; E378-A382 VanDerWaalsContact O-CB 3.26Å; E378-A382 WeakPolarHBondContact O-CB 3.32Å; E378-A382 PolarHBondContact O-N 3.19Å; E378-F407 HydrophobicContact CB-CD1 3.88Å; E378-F407 HydrophobicContact CB-CE1 3.75Å; E378-F407 HydrophobicContact CB-CZ 4.47Å; E378-F407 HydrophobicContact CG-CD1 3.59Å; E378-F407 HydrophobicContact CG-CE1 4.02Å; E378-F407 HydrophobicContact CG-CG 4.14Å; E378-Q408 PolarHBondContact OE1-N 2.84Å; E378-Q408 PolarHBondContact OE1-NE2 2.78Å; E378-Y411 PolarHBondContact OE1-OH 2.91Å
379	L	95.6	Very high	95.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-45.3	171.9	-174.1	55.5	0	0	0	112.1	L222 A367 L372 S375 L383	L222-L379 HydrophobicContact CB-CD2 4.07Å; L222-L379 HydrophobicContact CD1-CD2 4.43Å; A367-L379 HydrophobicContact CB-CD1 3.47Å; A367-L379 VanDerWaalsContact CB-CD1 3.47Å; L372-L379 HydrophobicContact CB-CD1 4.2Å; L372-L379 WeakPolarHBondContact O-CB 3.45Å; S375-L379 WeakPolarHBondContact O-CB 3.39Å; S375-L379 PolarHBondContact O-N 3.47Å; L379-L383 HydrophobicContact CD1-CD1 3.98Å; L379-L383 HydrophobicContact CG-CD1 4.45Å; L379-L383 WeakPolarHBondContact O-CG 3.4Å; L379-L383 PolarHBondContact O-N 3.13Å
380	Q	95	Very high	95.5	Very high	98 Å²	98	42.6 Å²	42.6	46%	0.458	23%	0.23	S	C	.	.	H	α-helix	trans	-67	-41.3	178.1	-72.1	177	-12.4	0	0	111.3	V376 A377 E378 S384	V376-Q380 WeakPolarHBondContact O-CG 3.43Å; V376-Q380 PolarHBondContact O-N 3.14Å; A377-Q380 PolarHBondContact O-N 2.9Å; E378-Q380 VanDerWaalsContact C-N 3.33Å; E378-Q380 PolarHBondContact O-N 2.91Å; Q380-S384 PolarHBondContact O-N 2.82Å
381	H	95.7	Very high	95.4	Very high	50 Å²	50	46.4 Å²	46.4	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-51.2	178	177.8	73	0	0	0	112	A377 E378 L383 S384 A387 F407 Y411	A377-H381 WeakPolarHBondContact O-CB 3.34Å; A377-H381 PolarHBondContact O-N 3.34Å; E378-H381 PolarHBondContact O-N 3.41Å; H381-L383 PolarHBondContact O-N 2.67Å; H381-L383 VanDerWaalsContact O-N 3.16Å; H381-S384 WeakPolarHBondContact O-CB 3.28Å; H381-S384 PolarHBondContact O-N 3.2Å; H381-S384 PolarHBondContact O-OG 2.79Å; H381-A387 WeakPolarHBondContact O-CB 3.34Å; H381-F407 HydrophobicContact CB-CD2 3.94Å; H381-F407 HydrophobicContact CB-CE2 3.87Å; H381-F407 AromaticContact CD2-CD2 3.69Å; H381-F407 AromaticContact CG-CD2 3.61Å; H381-F407 AromaticContact CG-CE2 3.99Å; H381-Y411 PolarHBondContact CD2-OH 3.45Å
382	A	96.4	Very high	95.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-23.8	-177.1	0	0	0	0	0	113.7	L372 E378 Y411	L372-A382 HydrophobicContact CD1-CB 4.14Å; L372-A382 HydrophobicContact CD2-CB 3.59Å; E378-A382 VanDerWaalsContact O-CB 3.26Å; E378-A382 WeakPolarHBondContact O-CB 3.32Å; E378-A382 PolarHBondContact O-N 3.19Å; A382-Y411 HydrophobicContact CB-CD1 4.03Å; A382-Y411 HydrophobicContact CB-CD2 4.15Å; A382-Y411 HydrophobicContact CB-CE1 3.76Å; A382-Y411 HydrophobicContact CB-CE2 3.9Å; A382-Y411 HydrophobicContact CB-CG 4.22Å
383	L	96	Very high	95.4	Very high	49 Å²	49	48.9 Å²	48.9	26%	0.257	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	1.9	176.6	-61.6	179	0	0	0	113.6	S226 L358 L365 L379 H381	S226-L383 VanDerWaalsContact CB-CD1 3.43Å; L358-L383 HydrophobicContact CD2-CD2 3.96Å; L365-L383 HydrophobicContact CB-CD2 4.13Å; L365-L383 HydrophobicContact CD2-CD2 4.07Å; L365-L383 HydrophobicContact CG-CD2 3.86Å; L379-L383 HydrophobicContact CD1-CD1 3.98Å; L379-L383 HydrophobicContact CG-CD1 4.45Å; L379-L383 WeakPolarHBondContact O-CG 3.4Å; L379-L383 PolarHBondContact O-N 3.13Å; H381-L383 PolarHBondContact O-N 2.67Å; H381-L383 VanDerWaalsContact O-N 3.16Å
384	S	95.4	Very high	95.3	Very high	38 Å²	38	49.1 Å²	49.1	27%	0.266	27%	0.268	S	S	.	.	S	Bend	trans	-84.7	166.4	175.4	75.3	0	0	0	0	112.1	Q380 H381 K386 A387	Q380-S384 PolarHBondContact O-N 2.82Å; H381-S384 WeakPolarHBondContact O-CB 3.28Å; H381-S384 PolarHBondContact O-N 3.2Å; H381-S384 PolarHBondContact O-OG 2.79Å; S384-K386 PolarHBondContact O-N 3.49Å; S384-K386 PolarHBondContact OG-N 2.79Å; S384-A387 PolarHBondContact O-N 2.94Å
385	D	93.8	Very high	95.2	Very high	156 Å²	156	53.7 Å²	53.7	83%	0.834	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.8	171.9	60.3	-26	0	0	0	113.9
386	K	94.9	Very high	95.2	Very high	164 Å²	164	58.6 Å²	58.6	71%	0.713	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-20.4	178.8	-57.7	179.6	-176.8	176.6	0	113.4	S384	S384-K386 PolarHBondContact O-N 3.49Å; S384-K386 PolarHBondContact OG-N 2.79Å
387	A	95.8	Very high	95.4	Very high	13 Å²	13	57.6 Å²	57.6	11%	0.107	30%	0.301	C	S	.	.	S	Bend	trans	-79.5	138.7	-177.1	0	0	0	0	0	111.4	H381 S384 I389 Y411	H381-A387 WeakPolarHBondContact O-CB 3.34Å; S384-A387 PolarHBondContact O-N 2.94Å; A387-I389 HydrophobicContact CB-CD1 3.95Å; A387-I389 PolarHBondContact O-N 2.97Å; A387-Y411 HydrophobicContact CB-CD2 3.95Å; A387-Y411 HydrophobicContact CB-CE2 3.93Å
388	V	97.1	Very high	95.5	Very high	79 Å²	79	56.6 Å²	56.6	48%	0.479	29%	0.288	S	S	.	.			trans	-83.5	115.5	173.8	179.5	0	0	0	0	108.9	K390 G410 Y411	V388-K390 HydrophobicContact CG1-CG 4.32Å; V388-G410 CarbonylContact O-C 3.6Å; V388-G410 VanDerWaalsContact O-CA 3.23Å; V388-G410 WeakPolarHBondContact O-CA 3.01Å; V388-Y411 PolarHBondContact O-N 2.75Å
389	I	96.9	Very high	95.5	Very high	51 Å²	51	62 Å²	62	26%	0.262	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.8	179.7	-46.5	-55.7	0	0	0	109.8	L358 L365 A387 Y411 E413	L358-I389 HydrophobicContact CD1-CD1 3.64Å; L365-I389 HydrophobicContact CD1-CG2 4.42Å; L365-I389 HydrophobicContact CD2-CD1 3.93Å; L365-I389 HydrophobicContact CD2-CG1 3.92Å; L365-I389 HydrophobicContact CD2-CG2 4.48Å; A387-I389 HydrophobicContact CB-CD1 3.95Å; A387-I389 PolarHBondContact O-N 2.97Å; I389-Y411 HydrophobicContact CD1-CD2 4.16Å; I389-Y411 HydrophobicContact CD1-CG 4.49Å; I389-E413 HydrophobicContact CG2-CB 3.99Å; I389-E413 HydrophobicContact CG2-CG 4.01Å
390	K	96.3	Very high	95.4	Very high	66 Å²	66	64.6 Å²	64.6	29%	0.287	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	153.5	179.4	-60.5	173.1	-174.4	166.8	0	109.8	V388 E400 Y411 F412 E413	V388-K390 HydrophobicContact CG1-CG 4.32Å; K390-E400 VanDerWaalsContact NZ-CD 3.32Å; K390-E400 IonicContact NZ-OE1 3.47Å; K390-E400 PolarHBondContact NZ-OE1 3.4Å; K390-E400 IonicContact NZ-OE2 3.57Å; K390-E400 PolarHBondContact NZ-OE2 3.26Å; K390-E400 VanDerWaalsContact NZ-OE2 3.12Å; K390-Y411 PolarHBondContact N-O 2.72Å; K390-F412 HydrophobicContact CB-CD1 3.82Å; K390-F412 HydrophobicContact CB-CE1 3.69Å; K390-F412 HydrophobicContact CB-CZ 4.44Å; K390-F412 HydrophobicContact CD-CE1 3.8Å; K390-F412 HydrophobicContact CD-CZ 3.85Å; K390-F412 HydrophobicContact CG-CE1 4.39Å; K390-F412 CarbonylContact O-C 3.46Å; K390-F412 VanDerWaalsContact O-CA 3.26Å; K390-F412 WeakPolarHBondContact O-CA 3.42Å; K390-E413 PolarHBondContact O-N 3.43Å
391	P	95.8	Very high	95.3	Very high	81 Å²	81	65.3 Å²	65.3	53%	0.526	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	135.2	170.7	27.7	-33.6	0	0	0	110.5	I393	P391-I393 HydrophobicContact CG-CD1 4.24Å; P391-I393 PolarHBondContact O-N 2.96Å; P391-I393 VanDerWaalsContact O-N 3.13Å
392	F	95.8	Very high	95.1	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.009	33%	0.328	C	S	.	.			trans	-63.3	114.3	172.2	178.8	-107.7	0	0	0	110	T353 P394 V397 F412 E413 T414 Q423 M424	T353-F392 HydrophobicContact CG2-CD1 4.41Å; T353-F392 HydrophobicContact CG2-CD2 3.56Å; T353-F392 HydrophobicContact CG2-CE1 4.05Å; T353-F392 HydrophobicContact CG2-CE2 3.14Å; T353-F392 HydrophobicContact CG2-CG 4.19Å; T353-F392 HydrophobicContact CG2-CZ 3.41Å; T353-F392 VanDerWaalsContact CG2-CZ 3.41Å; F392-P394 HydrophobicContact CE1-CG 3.74Å; F392-P394 HydrophobicContact CZ-CB 4.49Å; F392-P394 HydrophobicContact CZ-CG 3.74Å; F392-V397 HydrophobicContact CD2-CG2 3.81Å; F392-V397 HydrophobicContact CE2-CB 4.45Å; F392-V397 HydrophobicContact CE2-CG1 4.36Å; F392-V397 HydrophobicContact CE2-CG2 3.97Å; F392-F412 HydrophobicContact CB-CB 4.09Å; F392-F412 HydrophobicContact CD2-CB 4.17Å; F392-E413 WeakPolarHBondContact CB-O 3.21Å; F392-E413 PolarHBondContact N-O 2.95Å; F392-T414 HydrophobicContact CB-CG2 3.62Å; F392-T414 HydrophobicContact CD1-CG2 3.91Å; F392-T414 HydrophobicContact CG-CG2 3.86Å; F392-Q423 HydrophobicContact CE1-CB 4.47Å; F392-Q423 PolarHBondContact O-NE2 3.25Å; F392-Q423 PolarHBondContact O-OE1 3.1Å; F392-M424 HydrophobicContact CE1-CG 4.29Å; F392-M424 HydrophobicContact CE1-SD 4.33Å; F392-M424 HydrophobicContact CZ-CG 4.26Å; F392-M424 HydrophobicContact CZ-SD 3.83Å
393	I	95.2	Very high	94.6	Very high	56 Å²	56	65.1 Å²	65.1	29%	0.287	34%	0.335	S	S	.	.			trans	-137.8	107.6	174.1	-60.7	173.9	0	0	0	106.3	P391 M395 K396 V397	P391-I393 HydrophobicContact CG-CD1 4.24Å; P391-I393 PolarHBondContact O-N 2.96Å; P391-I393 VanDerWaalsContact O-N 3.13Å; I393-M395 VanDerWaalsContact C-N 3.3Å; I393-M395 PolarHBondContact O-N 2.93Å; I393-M395 VanDerWaalsContact O-N 3.15Å; I393-K396 HydrophobicContact CB-CB 4.37Å; I393-K396 HydrophobicContact CB-CD 4.28Å; I393-K396 HydrophobicContact CB-CG 4.25Å; I393-K396 HydrophobicContact CD1-CD 4.07Å; I393-K396 HydrophobicContact CG2-CD 4.44Å; I393-K396 HydrophobicContact CG2-CG 4.12Å; I393-K396 PolarHBondContact O-N 3.06Å; I393-V397 WeakPolarHBondContact O-CG2 3.43Å; I393-V397 PolarHBondContact O-N 3.05Å
394	P	94.8	Very high	93.9	Very high	6 Å²	6	66.9 Å²	66.9	4%	0.039	35%	0.348	C	S	.	.	H	α-helix	trans	-49.7	-46.9	-171.9	-30.5	33.7	0	0	0	113.9	F392 K396 V397 I398 Q423 M424 F427	F392-P394 HydrophobicContact CE1-CG 3.74Å; F392-P394 HydrophobicContact CZ-CB 4.49Å; F392-P394 HydrophobicContact CZ-CG 3.74Å; P394-K396 PolarHBondContact O-N 2.61Å; P394-K396 VanDerWaalsContact O-N 3.11Å; P394-V397 PolarHBondContact O-N 2.81Å; P394-V397 VanDerWaalsContact O-N 3.1Å; P394-I398 WeakPolarHBondContact O-CG2 3.39Å; P394-I398 PolarHBondContact O-N 3.46Å; P394-Q423 HydrophobicContact CG-CB 4.15Å; P394-M424 HydrophobicContact CB-SD 4.08Å; P394-M424 HydrophobicContact CG-SD 3.75Å; P394-F427 HydrophobicContact CB-CB 3.64Å; P394-F427 HydrophobicContact CB-CD1 4.32Å; P394-F427 HydrophobicContact CB-CD2 3.95Å; P394-F427 HydrophobicContact CB-CG 3.68Å; P394-F427 HydrophobicContact CG-CB 4.05Å
395	M	94	Very high	93.1	Very high	104 Å²	104	69.5 Å²	69.5	51%	0.512	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-21.6	-179.7	-70.6	-57.6	-59.4	0	0	114.8	I393 I398 N399 F427	I393-M395 VanDerWaalsContact C-N 3.3Å; I393-M395 PolarHBondContact O-N 2.93Å; I393-M395 VanDerWaalsContact O-N 3.15Å; M395-I398 HydrophobicContact CE-CD1 4.3Å; M395-I398 HydrophobicContact SD-CD1 4.39Å; M395-N399 PolarHBondContact O-ND2 2.87Å; M395-N399 VanDerWaalsContact O-ND2 3.15Å; M395-F427 HydrophobicContact CG-CD2 4.5Å; M395-F427 HydrophobicContact SD-CD2 3.71Å; M395-F427 HydrophobicContact SD-CE2 3.92Å
396	K	95.1	Very high	92.7	Very high	129 Å²	129	65.8 Å²	65.8	56%	0.561	35%	0.345	S	S	*	.	H	α-helix	trans	-87.8	-45.7	172.2	-64.5	-173.5	-178.4	179.5	0	110.5	I393 P394 I398 N399	I393-K396 HydrophobicContact CB-CB 4.37Å; I393-K396 HydrophobicContact CB-CD 4.28Å; I393-K396 HydrophobicContact CB-CG 4.25Å; I393-K396 HydrophobicContact CD1-CD 4.07Å; I393-K396 HydrophobicContact CG2-CD 4.44Å; I393-K396 HydrophobicContact CG2-CG 4.12Å; I393-K396 PolarHBondContact O-N 3.06Å; P394-K396 PolarHBondContact O-N 2.61Å; P394-K396 VanDerWaalsContact O-N 3.11Å; K396-I398 VanDerWaalsContact C-N 3.29Å; K396-I398 PolarHBondContact O-N 2.64Å; K396-N399 PolarHBondContact O-N 3.21Å; K396-N399 PolarHBondContact O-ND2 3.48Å
397	V	95.7	Very high	92.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-56.1	-39.7	-177.5	168.6	0	0	0	0	112.3	T348 F352 F392 I393 P394 N399 E400 F412	T348-V397 HydrophobicContact CG2-CG1 4.19Å; T348-V397 WeakPolarHBondContact CG2-O 3.14Å; F352-V397 HydrophobicContact CB-CG1 3.65Å; F352-V397 HydrophobicContact CD2-CG1 3.71Å; F352-V397 HydrophobicContact CG-CG1 4.03Å; F392-V397 HydrophobicContact CD2-CG2 3.81Å; F392-V397 HydrophobicContact CE2-CB 4.45Å; F392-V397 HydrophobicContact CE2-CG1 4.36Å; F392-V397 HydrophobicContact CE2-CG2 3.97Å; I393-V397 WeakPolarHBondContact O-CG2 3.43Å; I393-V397 PolarHBondContact O-N 3.05Å; P394-V397 PolarHBondContact O-N 2.81Å; P394-V397 VanDerWaalsContact O-N 3.1Å; V397-N399 PolarHBondContact O-N 3.22Å; V397-E400 WeakPolarHBondContact O-CB 3.44Å; V397-E400 PolarHBondContact O-N 3.43Å; V397-F412 HydrophobicContact CG2-CD1 3.52Å; V397-F412 HydrophobicContact CG2-CD2 4.17Å; V397-F412 HydrophobicContact CG2-CE1 3.54Å; V397-F412 HydrophobicContact CG2-CE2 4.19Å; V397-F412 HydrophobicContact CG2-CG 3.84Å; V397-F412 HydrophobicContact CG2-CZ 3.91Å
398	I	95.1	Very high	92.4	Very high	29 Å²	29	61.9 Å²	61.9	15%	0.149	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.8	-178.6	60.6	168.3	0	0	0	114.9	K345 P394 M395 K396 F427	K345-I398 HydrophobicContact CB-CB 4.23Å; K345-I398 HydrophobicContact CB-CG2 3.72Å; K345-I398 HydrophobicContact CD-CD1 4.2Å; K345-I398 HydrophobicContact CG-CB 4.17Å; K345-I398 HydrophobicContact CG-CD1 4.24Å; K345-I398 HydrophobicContact CG-CG2 4.16Å; P394-I398 WeakPolarHBondContact O-CG2 3.39Å; P394-I398 PolarHBondContact O-N 3.46Å; M395-I398 HydrophobicContact CE-CD1 4.3Å; M395-I398 HydrophobicContact SD-CD1 4.39Å; K396-I398 VanDerWaalsContact C-N 3.29Å; K396-I398 PolarHBondContact O-N 2.64Å; I398-F427 HydrophobicContact CD1-CE2 4.41Å; I398-F427 HydrophobicContact CG2-CE2 4.1Å; I398-F427 HydrophobicContact CG2-CZ 4Å
399	N	94.8	Very high	92.2	Very high	131 Å²	131	63.6 Å²	63.6	70%	0.701	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-2.6	177.9	-53.2	-67.6	0	0	0	113	M395 K396 V397	M395-N399 PolarHBondContact O-ND2 2.87Å; M395-N399 VanDerWaalsContact O-ND2 3.15Å; K396-N399 PolarHBondContact O-N 3.21Å; K396-N399 PolarHBondContact O-ND2 3.48Å; V397-N399 PolarHBondContact O-N 3.22Å
400	E	94.8	Very high	92.1	Very high	55 Å²	55	61.2 Å²	61.2	26%	0.257	32%	0.321	S	S	.	.	S	Bend	trans	-84.8	146.6	-179.1	-57.8	-86.9	172.2	0	0	110.4	F352 K390 V397 F412	F352-E400 HydrophobicContact CD2-CB 4.32Å; F352-E400 HydrophobicContact CE2-CB 3.52Å; F352-E400 HydrophobicContact CZ-CB 3.76Å; K390-E400 VanDerWaalsContact NZ-CD 3.32Å; K390-E400 IonicContact NZ-OE1 3.47Å; K390-E400 PolarHBondContact NZ-OE1 3.4Å; K390-E400 IonicContact NZ-OE2 3.57Å; K390-E400 PolarHBondContact NZ-OE2 3.26Å; K390-E400 VanDerWaalsContact NZ-OE2 3.12Å; V397-E400 WeakPolarHBondContact O-CB 3.44Å; V397-E400 PolarHBondContact O-N 3.43Å; E400-F412 HydrophobicContact CG-CE2 4.06Å; E400-F412 HydrophobicContact CG-CZ 3.63Å
401	E	92.1	Very high	92.1	Very high	112 Å²	112	58.1 Å²	58.1	52%	0.523	31%	0.307	S	S	.	.			trans	-82.1	131.9	177.1	-174.9	175.9	-161.2	0	0	110.3	F352 L403	F352-E401 WeakPolarHBondContact CZ-O 3.47Å; E401-L403 HydrophobicContact CG-CD2 4Å
402	C	90.8	Very high	92.2	Very high	19 Å²	19	54.4 Å²	54.4	13%	0.128	28%	0.283	C	S	.	.			trans	-88.7	108.5	177.4	-59.3	0	0	0	0	109	F351	F351-C402 HydrophobicContact CD1-CB 3.74Å; F351-C402 HydrophobicContact CD2-CB 4.02Å; F351-C402 HydrophobicContact CE1-CB 3.72Å; F351-C402 HydrophobicContact CE2-CB 4Å; F351-C402 HydrophobicContact CG-CB 3.89Å; F351-C402 HydrophobicContact CZ-CB 3.85Å
403	L	87.4	Confident	92.2	Very high	27 Å²	27	56.6 Å²	56.6	14%	0.141	29%	0.293	C	S	.	.			trans	-89.7	121.9	-179.6	-59.2	178	0	0	0	109.7	E401 F407 Q408	E401-L403 HydrophobicContact CG-CD2 4Å; L403-F407 WeakPolarHBondContact CD1-O 3.32Å; L403-Q408 VanDerWaalsContact N-OE1 3.16Å; L403-Q408 PolarHBondContact O-NE2 3.44Å; L403-Q408 PolarHBondContact O-OE1 3.5Å
404	V	81.1	Confident	92.1	Very high	86 Å²	86	54.1 Å²	54.1	52%	0.521	28%	0.281	S	S	.	.	S	Bend	trans	-102.8	-20.4	-175.6	-64.3	0	0	0	0	114	F351	F351-V404 HydrophobicContact CE2-CG1 4.29Å
405	T	77.5	Confident	91.7	Very high	93 Å²	93	57.7 Å²	57.7	57%	0.571	31%	0.306	S	S	*	.	S	Bend	trans	-107.6	-8.6	-178.4	54.1	0	0	0	0	113.8
406	T	85.8	Confident	91.3	Very high	78 Å²	78	54.9 Å²	54.9	48%	0.479	30%	0.297	S	S	.	.	S	Bend	trans	-136.5	167.5	-177.5	62.3	0	0	0	0	110.7	Q408	T406-Q408 PolarHBondContact O-NE2 3.05Å
407	F	91.5	Very high	90.8	Very high	88 Å²	88	49.1 Å²	49.1	39%	0.386	27%	0.271	S	S	.	.			trans	-64.5	147.8	174.2	-61.7	-16	0	0	0	111.4	A377 E378 H381 L403	A377-F407 HydrophobicContact CB-CE1 4.38Å; A377-F407 HydrophobicContact CB-CZ 3.82Å; E378-F407 HydrophobicContact CB-CD1 3.88Å; E378-F407 HydrophobicContact CB-CE1 3.75Å; E378-F407 HydrophobicContact CB-CZ 4.47Å; E378-F407 HydrophobicContact CG-CD1 3.59Å; E378-F407 HydrophobicContact CG-CE1 4.02Å; E378-F407 HydrophobicContact CG-CG 4.14Å; H381-F407 HydrophobicContact CB-CD2 3.94Å; H381-F407 HydrophobicContact CB-CE2 3.87Å; H381-F407 AromaticContact CD2-CD2 3.69Å; H381-F407 AromaticContact CG-CD2 3.61Å; H381-F407 AromaticContact CG-CE2 3.99Å; L403-F407 WeakPolarHBondContact CD1-O 3.32Å
408	Q	92.4	Very high	90.4	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.037	29%	0.291	C	S	.	.			trans	-64.7	141.6	-178.6	-49.3	-46.4	-53.3	0	0	112.2	F356 E378 L403 T406 G410 Y411	F356-Q408 HydrophobicContact CB-CG 4.37Å; F356-Q408 HydrophobicContact CD1-CG 3.92Å; F356-Q408 HydrophobicContact CD2-CG 4.48Å; F356-Q408 HydrophobicContact CE1-CG 4.36Å; F356-Q408 HydrophobicContact CG-CG 3.99Å; E378-Q408 PolarHBondContact OE1-N 2.84Å; E378-Q408 PolarHBondContact OE1-NE2 2.78Å; L403-Q408 VanDerWaalsContact N-OE1 3.16Å; L403-Q408 PolarHBondContact O-NE2 3.44Å; L403-Q408 PolarHBondContact O-OE1 3.5Å; T406-Q408 PolarHBondContact O-NE2 3.05Å; Q408-G410 PolarHBondContact O-N 3.4Å; Q408-Y411 HydrophobicContact CB-CD1 4.25Å; Q408-Y411 HydrophobicContact CB-CE1 3.72Å; Q408-Y411 HydrophobicContact CB-CE2 4.34Å; Q408-Y411 HydrophobicContact CG-CD1 4.3Å; Q408-Y411 HydrophobicContact CG-CE1 3.69Å; Q408-Y411 PolarHBondContact N-OH 2.98Å
409	N	92.7	Very high	90.1	Very high	115 Å²	115	52.9 Å²	52.9	62%	0.615	29%	0.289	S	S	*	.	S	Bend	trans	-64.7	-21.9	172.7	-73.4	-33.4	0	0	0	112.8
410	G	94.6	Very high	89.7	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.01	26%	0.256	C	S	.	.			trans	-167.3	153	173.7	0	0	0	0	0	112	V388 Q408	V388-G410 CarbonylContact O-C 3.6Å; V388-G410 VanDerWaalsContact O-CA 3.23Å; V388-G410 WeakPolarHBondContact O-CA 3.01Å; Q408-G410 PolarHBondContact O-N 3.4Å
411	Y	97.3	Very high	89.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	156	-179.7	-54.7	-89.8	0	0	0	110	F356 L358 L372 E378 H381 A382 A387 V388 I389 K390 Q408	F356-Y411 HydrophobicContact CB-CD1 4.37Å; F356-Y411 HydrophobicContact CD1-CE1 4.3Å; L358-Y411 VanDerWaalsContact CD1-CB 3.44Å; L358-Y411 HydrophobicContact CD1-CG 4.1Å; L372-Y411 HydrophobicContact CD1-CD1 4.4Å; L372-Y411 HydrophobicContact CD2-CD1 4.26Å; L372-Y411 HydrophobicContact CD2-CE1 3.75Å; E378-Y411 PolarHBondContact OE1-OH 2.91Å; H381-Y411 PolarHBondContact CD2-OH 3.45Å; A382-Y411 HydrophobicContact CB-CD1 4.03Å; A382-Y411 HydrophobicContact CB-CD2 4.15Å; A382-Y411 HydrophobicContact CB-CE1 3.76Å; A382-Y411 HydrophobicContact CB-CE2 3.9Å; A382-Y411 HydrophobicContact CB-CG 4.22Å; A387-Y411 HydrophobicContact CB-CD2 3.95Å; A387-Y411 HydrophobicContact CB-CE2 3.93Å; V388-Y411 PolarHBondContact O-N 2.75Å; I389-Y411 HydrophobicContact CD1-CD2 4.16Å; I389-Y411 HydrophobicContact CD1-CG 4.49Å; K390-Y411 PolarHBondContact N-O 2.72Å; Q408-Y411 HydrophobicContact CB-CD1 4.25Å; Q408-Y411 HydrophobicContact CB-CE1 3.72Å; Q408-Y411 HydrophobicContact CB-CE2 4.34Å; Q408-Y411 HydrophobicContact CG-CD1 4.3Å; Q408-Y411 HydrophobicContact CG-CE1 3.69Å; Q408-Y411 PolarHBondContact N-OH 2.98Å
412	F	97.1	Very high	89.5	Confident	3 Å²	3	46 Å²	46	1%	0.013	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.2	-176.1	-66.9	-89.9	0	0	0	111.3	F352 L358 K390 F392 V397 E400	F352-F412 HydrophobicContact CB-CD2 3.67Å; F352-F412 HydrophobicContact CB-CE2 4.24Å; F352-F412 HydrophobicContact CB-CG 4.41Å; F352-F412 AromaticContact CD1-CD2 3.42Å; F352-F412 HydrophobicContact CD1-CD2 3.42Å; F352-F412 VanDerWaalsContact CD1-CD2 3.42Å; F352-F412 AromaticContact CD1-CE2 3.54Å; F352-F412 HydrophobicContact CD1-CE2 3.54Å; F352-F412 HydrophobicContact CD2-CE2 4.34Å; F352-F412 HydrophobicContact CE1-CD2 4.18Å; F352-F412 AromaticContact CE1-CE2 3.87Å; F352-F412 HydrophobicContact CE1-CE2 3.87Å; F352-F412 AromaticContact CG-CD2 3.65Å; F352-F412 HydrophobicContact CG-CD2 3.65Å; F352-F412 AromaticContact CG-CE2 3.78Å; F352-F412 HydrophobicContact CG-CE2 3.78Å; F352-F412 HydrophobicContact CZ-CE2 4.4Å; L358-F412 PolarHBondContact N-O 3.49Å; K390-F412 HydrophobicContact CB-CD1 3.82Å; K390-F412 HydrophobicContact CB-CE1 3.69Å; K390-F412 HydrophobicContact CB-CZ 4.44Å; K390-F412 HydrophobicContact CD-CE1 3.8Å; K390-F412 HydrophobicContact CD-CZ 3.85Å; K390-F412 HydrophobicContact CG-CE1 4.39Å; K390-F412 CarbonylContact O-C 3.46Å; K390-F412 VanDerWaalsContact O-CA 3.26Å; K390-F412 WeakPolarHBondContact O-CA 3.42Å; F392-F412 HydrophobicContact CB-CB 4.09Å; F392-F412 HydrophobicContact CD2-CB 4.17Å; V397-F412 HydrophobicContact CG2-CD1 3.52Å; V397-F412 HydrophobicContact CG2-CD2 4.17Å; V397-F412 HydrophobicContact CG2-CE1 3.54Å; V397-F412 HydrophobicContact CG2-CE2 4.19Å; V397-F412 HydrophobicContact CG2-CG 3.84Å; V397-F412 HydrophobicContact CG2-CZ 3.91Å; E400-F412 HydrophobicContact CG-CE2 4.06Å; E400-F412 HydrophobicContact CG-CZ 3.63Å
413	E	96.1	Very high	89.6	Confident	49 Å²	49	47.2 Å²	47.2	23%	0.229	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	135.6	176.2	75.6	177.7	164.8	0	0	112.1	L358 R360 L365 I389 K390 F392	L358-E413 HydrophobicContact CB-CB 4.28Å; L358-E413 CarbonylContact O-C 3.54Å; L358-E413 VanDerWaalsContact O-CA 3.22Å; L358-E413 WeakPolarHBondContact O-CA 3.37Å; R360-E413 IonicContact CZ-OE2 3.58Å; R360-E413 IonicContact NE-OE2 3.57Å; R360-E413 PolarHBondContact NE-OE2 3.13Å; R360-E413 IonicContact NH2-OE1 2.78Å; R360-E413 IonicContact NH2-OE2 3.68Å; R360-E413 PolarHBondContact NH2-OE2 3.42Å; L365-E413 HydrophobicContact CD1-CB 4.08Å; L365-E413 WeakPolarHBondContact CD1-OE2 3.39Å; I389-E413 HydrophobicContact CG2-CB 3.99Å; I389-E413 HydrophobicContact CG2-CG 4.01Å; K390-E413 PolarHBondContact O-N 3.43Å; F392-E413 WeakPolarHBondContact CB-O 3.21Å; F392-E413 PolarHBondContact N-O 2.95Å
414	T	92.9	Very high	89.8	Confident	3 Å²	3	46 Å²	46	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.9	172.4	58.7	0	0	0	0	110.8	L358 C359 F392 A420	L358-T414 PolarHBondContact O-N 3.29Å; L358-T414 PolarHBondContact O-OG1 3.29Å; C359-T414 WeakPolarHBondContact CA-O 3.42Å; F392-T414 HydrophobicContact CB-CG2 3.62Å; F392-T414 HydrophobicContact CD1-CG2 3.91Å; F392-T414 HydrophobicContact CG-CG2 3.86Å; T414-A420 HydrophobicContact CG2-CB 3.79Å
415	S	87.3	Confident	90.2	Very high	82 Å²	82	46.8 Å²	46.8	57%	0.573	24%	0.238	S	C	*	.	S	Bend	trans	-73.6	-34.1	177.7	65.9	0	0	0	0	113.1	D419	S415-D419 WeakPolarHBondContact OG-CB 3.47Å; S415-D419 PolarHBondContact OG-OD2 3.21Å
416	S	85.4	Confident	91	Very high	45 Å²	45	46.9 Å²	46.9	32%	0.315	23%	0.232	S	C	.	.			trans	-162.4	163.2	172	58.6	0	0	0	0	109.7	E418 D419 A420	S416-E418 VanDerWaalsContact C-N 3.28Å; S416-E418 PolarHBondContact O-N 2.91Å; S416-D419 WeakPolarHBondContact O-CB 3.19Å; S416-D419 PolarHBondContact O-N 3.47Å; S416-D419 WeakPolarHBondContact OG-CB 3.35Å; S416-D419 PolarHBondContact OG-N 3.08Å; S416-D419 VanDerWaalsContact OG-N 3.08Å; S416-A420 PolarHBondContact O-N 2.95Å
417	F	84.1	Confident	91.3	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-67.4	-30.9	175.3	-60.2	-52.3	0	0	0	112.3	E230 M318 K323 F324 Y368 A420 T421	E230-F417 HydrophobicContact CB-CE2 4.31Å; E230-F417 HydrophobicContact CG-CE2 3.95Å; M318-F417 HydrophobicContact CE-CE1 4.05Å; M318-F417 HydrophobicContact CE-CE2 3.67Å; M318-F417 HydrophobicContact CE-CZ 3.33Å; K323-F417 HydrophobicContact CB-CB 4.08Å; F324-F417 HydrophobicContact CD2-CD1 4.06Å; F324-F417 AromaticContact CD2-CE1 3.96Å; F324-F417 HydrophobicContact CD2-CE1 3.96Å; F324-F417 HydrophobicContact CD2-CZ 4.42Å; F324-F417 HydrophobicContact CE2-CE1 4.45Å; Y368-F417 AromaticContact CD1-CE1 3.79Å; Y368-F417 HydrophobicContact CD1-CE1 3.79Å; Y368-F417 HydrophobicContact CD1-CZ 4.24Å; Y368-F417 AromaticContact CD2-CE1 3.85Å; Y368-F417 HydrophobicContact CD2-CE1 3.85Å; Y368-F417 HydrophobicContact CD2-CZ 4.45Å; Y368-F417 HydrophobicContact CE1-CE1 4.02Å; Y368-F417 HydrophobicContact CE2-CE1 4.11Å; Y368-F417 AromaticContact CG-CE1 3.69Å; Y368-F417 HydrophobicContact CG-CE1 3.69Å; Y368-F417 AromaticContact CG-CZ 4Å; Y368-F417 HydrophobicContact CG-CZ 4Å; F417-A420 PolarHBondContact O-N 3.19Å; F417-T421 WeakPolarHBondContact O-CB 3.32Å; F417-T421 PolarHBondContact O-N 2.94Å; F417-T421 PolarHBondContact O-OG1 2.77Å
418	E	87.6	Confident	91.3	Very high	89 Å²	89	40.3 Å²	40.3	42%	0.416	20%	0.198	S	C	.	.	H	α-helix	trans	-65.9	-39.7	171.9	-66.5	92.2	152.7	0	0	112	K323 S416 T421 R422	K323-E418 WeakPolarHBondContact CD-OE1 3.36Å; K323-E418 WeakPolarHBondContact CE-OE1 3.42Å; K323-E418 IonicContact NZ-OE1 2.98Å; K323-E418 PolarHBondContact NZ-OE1 2.79Å; K323-E418 IonicContact NZ-OE2 3.61Å; S416-E418 VanDerWaalsContact C-N 3.28Å; S416-E418 PolarHBondContact O-N 2.91Å; E418-T421 PolarHBondContact O-N 3.3Å; E418-R422 WeakPolarHBondContact O-CB 3.47Å; E418-R422 PolarHBondContact O-N 3.31Å
419	D	88.1	Confident	91.2	Very high	19 Å²	19	48.6 Å²	48.6	10%	0.102	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-48.2	173.8	-175.6	66.6	0	0	0	111.2	S415 S416 T421 R422 Q423	S415-D419 WeakPolarHBondContact OG-CB 3.47Å; S415-D419 PolarHBondContact OG-OD2 3.21Å; S416-D419 WeakPolarHBondContact O-CB 3.19Å; S416-D419 PolarHBondContact O-N 3.47Å; S416-D419 WeakPolarHBondContact OG-CB 3.35Å; S416-D419 PolarHBondContact OG-N 3.08Å; S416-D419 VanDerWaalsContact OG-N 3.08Å; D419-T421 VanDerWaalsContact C-N 3.3Å; D419-T421 PolarHBondContact O-N 3.02Å; D419-R422 WeakPolarHBondContact O-CB 3.48Å; D419-R422 PolarHBondContact O-N 3.4Å; D419-R422 VanDerWaalsContact O-N 3.12Å; D419-R422 IonicContact OD1-CZ 3.65Å; D419-R422 IonicContact OD1-NH1 2.78Å; D419-R422 PolarHBondContact OD1-NH1 3.16Å; D419-R422 IonicContact OD1-NH2 3.35Å; D419-R422 PolarHBondContact OD1-NH2 3.35Å; D419-Q423 WeakPolarHBondContact O-CG 3.41Å; D419-Q423 PolarHBondContact O-N 3.2Å; D419-Q423 PolarHBondContact OD2-NE2 3.39Å
420	A	88.2	Confident	91.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.9	-42.7	174.5	0	0	0	0	0	111.8	F327 T414 S416 F417 Q423 M424	F327-A420 HydrophobicContact CD2-CB 4.26Å; F327-A420 HydrophobicContact CE2-CB 3.91Å; F327-A420 HydrophobicContact CZ-CB 4.43Å; T414-A420 HydrophobicContact CG2-CB 3.79Å; S416-A420 PolarHBondContact O-N 2.95Å; F417-A420 PolarHBondContact O-N 3.19Å; A420-Q423 PolarHBondContact O-N 3.37Å; A420-M424 WeakPolarHBondContact O-CB 3.4Å; A420-M424 WeakPolarHBondContact O-CG 3.49Å; A420-M424 PolarHBondContact O-N 3.15Å
421	T	88.6	Confident	90.8	Very high	9 Å²	9	47.5 Å²	47.5	6%	0.055	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-43.3	175.1	-57.3	0	0	0	0	111.6	F417 E418 D419 M424 R425	F417-T421 WeakPolarHBondContact O-CB 3.32Å; F417-T421 PolarHBondContact O-N 2.94Å; F417-T421 PolarHBondContact O-OG1 2.77Å; E418-T421 PolarHBondContact O-N 3.3Å; D419-T421 VanDerWaalsContact C-N 3.3Å; D419-T421 PolarHBondContact O-N 3.02Å; T421-M424 PolarHBondContact O-N 3.11Å; T421-R425 WeakPolarHBondContact O-CG 3.41Å; T421-R425 PolarHBondContact O-N 3.07Å
422	R	92.8	Very high	90.2	Very high	144 Å²	144	55.9 Å²	55.9	54%	0.543	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-48.2	177	-172.3	-179.4	72.9	-116.8	2.4	110.7	E418 D419 M424 R425 E426	E418-R422 WeakPolarHBondContact O-CB 3.47Å; E418-R422 PolarHBondContact O-N 3.31Å; D419-R422 WeakPolarHBondContact O-CB 3.48Å; D419-R422 PolarHBondContact O-N 3.4Å; D419-R422 VanDerWaalsContact O-N 3.12Å; D419-R422 IonicContact OD1-CZ 3.65Å; D419-R422 IonicContact OD1-NH1 2.78Å; D419-R422 PolarHBondContact OD1-NH1 3.16Å; D419-R422 IonicContact OD1-NH2 3.35Å; D419-R422 PolarHBondContact OD1-NH2 3.35Å; R422-M424 VanDerWaalsContact C-N 3.34Å; R422-M424 PolarHBondContact O-N 3.36Å; R422-R425 PolarHBondContact O-N 2.87Å; R422-E426 PolarHBondContact O-N 2.85Å
423	Q	92.6	Very high	89.7	Confident	46 Å²	46	58.2 Å²	58.2	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-42.5	178.1	-68.8	-166.7	64.3	0	0	111.8	F392 P394 D419 A420 E426 F427	F392-Q423 HydrophobicContact CE1-CB 4.47Å; F392-Q423 PolarHBondContact O-NE2 3.25Å; F392-Q423 PolarHBondContact O-OE1 3.1Å; P394-Q423 HydrophobicContact CG-CB 4.15Å; D419-Q423 WeakPolarHBondContact O-CG 3.41Å; D419-Q423 PolarHBondContact O-N 3.2Å; D419-Q423 PolarHBondContact OD2-NE2 3.39Å; A420-Q423 PolarHBondContact O-N 3.37Å; Q423-E426 PolarHBondContact O-N 2.95Å; Q423-F427 PolarHBondContact O-N 3.13Å
424	M	91.8	Very high	89.2	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-40	174.6	-78.9	-53.3	-68.1	0	0	112.1	F327 I331 L346 C349 F392 P394 A420 T421 R422 E426 F427 V428	F327-M424 HydrophobicContact CD2-CG 4.42Å; F327-M424 HydrophobicContact CE2-CB 4.17Å; F327-M424 HydrophobicContact CE2-CG 3.47Å; F327-M424 VanDerWaalsContact CE2-CG 3.47Å; F327-M424 HydrophobicContact CZ-CG 4.12Å; I331-M424 HydrophobicContact CG1-CE 4.14Å; L346-M424 HydrophobicContact CD2-CE 4.12Å; C349-M424 HydrophobicContact CB-CE 3.74Å; C349-M424 HydrophobicContact CB-SD 3.9Å; F392-M424 HydrophobicContact CE1-CG 4.29Å; F392-M424 HydrophobicContact CE1-SD 4.33Å; F392-M424 HydrophobicContact CZ-CG 4.26Å; F392-M424 HydrophobicContact CZ-SD 3.83Å; P394-M424 HydrophobicContact CB-SD 4.08Å; P394-M424 HydrophobicContact CG-SD 3.75Å; A420-M424 WeakPolarHBondContact O-CB 3.4Å; A420-M424 WeakPolarHBondContact O-CG 3.49Å; A420-M424 PolarHBondContact O-N 3.15Å; T421-M424 PolarHBondContact O-N 3.11Å; R422-M424 VanDerWaalsContact C-N 3.34Å; R422-M424 PolarHBondContact O-N 3.36Å; M424-E426 VanDerWaalsContact C-N 3.33Å; M424-E426 PolarHBondContact O-N 2.69Å; M424-F427 HydrophobicContact CE-CD1 3.73Å; M424-F427 HydrophobicContact CE-CE1 4.3Å; M424-F427 CarbonylContact O-C 3Å; M424-F427 WeakPolarHBondContact O-CB 3.21Å; M424-F427 PolarHBondContact O-N 2.64Å; M424-F427 VanDerWaalsContact O-N 3.14Å; M424-F427 HydrophobicContact SD-CD1 4.21Å; M424-V428 WeakPolarHBondContact O-CB 3.41Å; M424-V428 WeakPolarHBondContact O-CG2 3.33Å; M424-V428 PolarHBondContact O-N 2.88Å
425	R	90.7	Very high	89	Confident	102 Å²	102	59.6 Å²	59.6	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-41.1	174.7	-77.6	174.2	178.6	169.2	1	112.8	E330 T421 R422 F427 V428 R429	E330-R425 HydrophobicContact CG-CG 4Å; E330-R425 IonicContact OE1-NE 2.79Å; E330-R425 IonicContact OE2-CZ 3.47Å; E330-R425 IonicContact OE2-NE 2.67Å; E330-R425 PolarHBondContact OE2-NE 3.23Å; E330-R425 IonicContact OE2-NH2 2.9Å; E330-R425 PolarHBondContact OE2-NH2 2.59Å; T421-R425 WeakPolarHBondContact O-CG 3.41Å; T421-R425 PolarHBondContact O-N 3.07Å; R422-R425 PolarHBondContact O-N 2.87Å; R425-F427 VanDerWaalsContact C-N 3.32Å; R425-V428 PolarHBondContact O-N 2.74Å; R425-R429 WeakPolarHBondContact O-CG 3.28Å; R425-R429 PolarHBondContact O-N 3.36Å; R425-R429 VanDerWaalsContact O-N 3.13Å
426	E	93	Very high	89.1	Confident	95 Å²	95	60.1 Å²	60.1	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-40.8	173.8	-65	-55.1	150.8	0	0	111.5	R422 Q423 M424 R429	R422-E426 PolarHBondContact O-N 2.85Å; Q423-E426 PolarHBondContact O-N 2.95Å; M424-E426 VanDerWaalsContact C-N 3.33Å; M424-E426 PolarHBondContact O-N 2.69Å; E426-R429 WeakPolarHBondContact O-CB 3.48Å; E426-R429 PolarHBondContact O-N 2.7Å; E426-R429 IonicContact OE1-CZ 3.67Å; E426-R429 IonicContact OE1-NH1 2.74Å; E426-R429 PolarHBondContact OE1-NH1 2.76Å; E426-R429 IonicContact OE1-NH2 3.49Å; E426-R429 IonicContact OE2-CZ 3.45Å; E426-R429 IonicContact OE2-NH1 3.33Å; E426-R429 PolarHBondContact OE2-NH1 3.08Å
427	F	93.1	Very high	89.5	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-43.8	173.9	172.8	-107.5	0	0	0	112.7	K345 L346 P394 M395 I398 Q423 M424 R425 R429 T430 I431	K345-F427 HydrophobicContact CB-CZ 3.83Å; K345-F427 HydrophobicContact CD-CZ 4.44Å; L346-F427 HydrophobicContact CD2-CE1 3.99Å; L346-F427 HydrophobicContact CG-CE1 4.49Å; P394-F427 HydrophobicContact CB-CB 3.64Å; P394-F427 HydrophobicContact CB-CD1 4.32Å; P394-F427 HydrophobicContact CB-CD2 3.95Å; P394-F427 HydrophobicContact CB-CG 3.68Å; P394-F427 HydrophobicContact CG-CB 4.05Å; M395-F427 HydrophobicContact CG-CD2 4.5Å; M395-F427 HydrophobicContact SD-CD2 3.71Å; M395-F427 HydrophobicContact SD-CE2 3.92Å; I398-F427 HydrophobicContact CD1-CE2 4.41Å; I398-F427 HydrophobicContact CG2-CE2 4.1Å; I398-F427 HydrophobicContact CG2-CZ 4Å; Q423-F427 PolarHBondContact O-N 3.13Å; M424-F427 HydrophobicContact CE-CD1 3.73Å; M424-F427 HydrophobicContact CE-CE1 4.3Å; M424-F427 CarbonylContact O-C 3Å; M424-F427 WeakPolarHBondContact O-CB 3.21Å; M424-F427 PolarHBondContact O-N 2.64Å; M424-F427 VanDerWaalsContact O-N 3.14Å; M424-F427 HydrophobicContact SD-CD1 4.21Å; R425-F427 VanDerWaalsContact C-N 3.32Å; F427-R429 PolarHBondContact O-N 2.98Å; F427-T430 WeakPolarHBondContact O-CA 3.29Å; F427-T430 WeakPolarHBondContact O-CB 3.28Å; F427-T430 PolarHBondContact O-N 2.94Å; F427-T430 PolarHBondContact O-OG1 2.92Å; F427-I431 HydrophobicContact CD1-CD1 4.49Å; F427-I431 HydrophobicContact CE1-CD1 4.01Å; F427-I431 HydrophobicContact CE1-CG1 4.35Å; F427-I431 HydrophobicContact CZ-CG1 4.48Å
428	V	90.9	Very high	89.9	Confident	22 Å²	22	62 Å²	62	13%	0.133	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-31.4	179.4	171.1	0	0	0	0	111.5	A334 M424 R425 T430 I431	A334-V428 HydrophobicContact CB-CB 4.32Å; A334-V428 HydrophobicContact CB-CG1 3.88Å; A334-V428 HydrophobicContact CB-CG2 3.41Å; A334-V428 VanDerWaalsContact CB-CG2 3.41Å; M424-V428 WeakPolarHBondContact O-CB 3.41Å; M424-V428 WeakPolarHBondContact O-CG2 3.33Å; M424-V428 PolarHBondContact O-N 2.88Å; R425-V428 PolarHBondContact O-N 2.74Å; V428-T430 PolarHBondContact O-N 3.35Å; V428-I431 HydrophobicContact CB-CD1 4.41Å; V428-I431 HydrophobicContact CG2-CD1 4.18Å; V428-I431 VanDerWaalsContact O-CB 3.32Å; V428-I431 WeakPolarHBondContact O-CB 3.44Å; V428-I431 PolarHBondContact O-N 2.88Å; V428-I431 VanDerWaalsContact O-N 3.08Å
429	R	90.3	Very high	90.3	Very high	183 Å²	183	59.1 Å²	59.1	69%	0.691	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.9	172.2	-70.8	172.8	-178.1	163	4.8	113.8	R425 E426 F427	R425-R429 WeakPolarHBondContact O-CG 3.28Å; R425-R429 PolarHBondContact O-N 3.36Å; R425-R429 VanDerWaalsContact O-N 3.13Å; E426-R429 WeakPolarHBondContact O-CB 3.48Å; E426-R429 PolarHBondContact O-N 2.7Å; E426-R429 IonicContact OE1-CZ 3.67Å; E426-R429 IonicContact OE1-NH1 2.74Å; E426-R429 PolarHBondContact OE1-NH1 2.76Å; E426-R429 IonicContact OE1-NH2 3.49Å; E426-R429 IonicContact OE2-CZ 3.45Å; E426-R429 IonicContact OE2-NH1 3.33Å; E426-R429 PolarHBondContact OE2-NH1 3.08Å; F427-R429 PolarHBondContact O-N 2.98Å
430	T	91.8	Very high	90.6	Very high	78 Å²	78	59.3 Å²	59.3	48%	0.479	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-15.9	176.6	75.3	0	0	0	0	113	F427 V428 K432	F427-T430 WeakPolarHBondContact O-CA 3.29Å; F427-T430 WeakPolarHBondContact O-CB 3.28Å; F427-T430 PolarHBondContact O-N 2.94Å; F427-T430 PolarHBondContact O-OG1 2.92Å; V428-T430 PolarHBondContact O-N 3.35Å; T430-K432 PolarHBondContact O-N 3.42Å
431	I	87.8	Confident	90.9	Very high	15 Å²	15	63 Å²	63	8%	0.077	30%	0.295	C	S	.	.	S	Bend	trans	-70.6	127.2	-179.7	-62.1	-179.5	0	0	0	109.5	A334 T338 E342 L346 F427 V428 R433	A334-I431 HydrophobicContact CB-CD1 4.18Å; T338-I431 HydrophobicContact CG2-CG2 3.52Å; E342-I431 HydrophobicContact CB-CG2 4.02Å; E342-I431 HydrophobicContact CG-CG2 3.97Å; L346-I431 HydrophobicContact CD1-CD1 3.99Å; L346-I431 HydrophobicContact CD2-CD1 3.81Å; L346-I431 HydrophobicContact CG-CD1 3.95Å; F427-I431 HydrophobicContact CD1-CD1 4.49Å; F427-I431 HydrophobicContact CE1-CD1 4.01Å; F427-I431 HydrophobicContact CE1-CG1 4.35Å; F427-I431 HydrophobicContact CZ-CG1 4.48Å; V428-I431 HydrophobicContact CB-CD1 4.41Å; V428-I431 HydrophobicContact CG2-CD1 4.18Å; V428-I431 VanDerWaalsContact O-CB 3.32Å; V428-I431 WeakPolarHBondContact O-CB 3.44Å; V428-I431 PolarHBondContact O-N 2.88Å; V428-I431 VanDerWaalsContact O-N 3.08Å; I431-R433 PolarHBondContact O-N 2.9Å
432	K	84	Confident	91	Very high	176 Å²	176	71.3 Å²	71.3	77%	0.765	33%	0.327	S	S	*	.			trans	-82.6	113.8	179.8	-64.9	-179.8	-176.1	172.7	0	110.7	T430	T430-K432 PolarHBondContact O-N 3.42Å
433	R	86.1	Confident	91.1	Very high	52 Å²	52	67.8 Å²	67.8	20%	0.196	32%	0.321	C	S	.	.			trans	-147.5	151.9	167.3	57.8	170.4	-170.4	-160.8	0.6	111.4	L333 I431 F435 D436	L333-R433 PolarHBondContact O-NH1 3.29Å; I431-R433 PolarHBondContact O-N 2.9Å; R433-F435 WeakPolarHBondContact CD-O 3.49Å; R433-F435 WeakPolarHBondContact CG-O 3.33Å; R433-F435 PolarHBondContact NE-O 3.08Å; R433-F435 PolarHBondContact O-N 2.83Å; R433-D436 IonicContact CZ-OD1 3.49Å; R433-D436 IonicContact NE-OD1 3.74Å; R433-D436 PolarHBondContact NE-OD1 2.79Å; R433-D436 IonicContact NH2-OD1 2.71Å; R433-D436 PolarHBondContact NH2-OD1 2.78Å
434	P	85.2	Confident	91.2	Very high	71 Å²	71	68.1 Å²	68.1	46%	0.461	32%	0.323	S	S	.	.	S	Bend	trans	-81.7	6.7	-171.9	28.9	-29.7	0	0	0	115	V143	V143-P434 HydrophobicContact CG2-CG 3.5Å; V143-P434 VanDerWaalsContact CG2-CG 3.5Å
435	F	89.2	Confident	91.4	Very high	10 Å²	10	69.4 Å²	69.4	4%	0.044	33%	0.332	C	S	.	.	S	Bend	trans	-161.2	165.4	-179.7	50.7	-96.3	0	0	0	109.5	L139 V143 F146 R433 V437 I448 I449 K450	L139-F435 HydrophobicContact CD1-CD1 4.15Å; L139-F435 HydrophobicContact CD1-CE1 3.41Å; L139-F435 VanDerWaalsContact CD1-CE1 3.41Å; L139-F435 HydrophobicContact CD1-CE2 4.41Å; L139-F435 HydrophobicContact CD1-CZ 3.58Å; L139-F435 HydrophobicContact CD2-CD1 3.55Å; L139-F435 HydrophobicContact CD2-CE1 3.63Å; L139-F435 HydrophobicContact CD2-CG 4.41Å; L139-F435 HydrophobicContact CG-CD1 4.46Å; L139-F435 HydrophobicContact CG-CE1 4.06Å; V143-F435 HydrophobicContact CB-CE1 4.38Å; V143-F435 HydrophobicContact CG1-CE1 3.64Å; V143-F435 HydrophobicContact CG1-CZ 3.63Å; V143-F435 HydrophobicContact CG2-CE1 3.91Å; F146-F435 HydrophobicContact CE1-CE2 4Å; F146-F435 AromaticContact CE1-CZ 3.73Å; F146-F435 HydrophobicContact CE1-CZ 3.73Å; F146-F435 HydrophobicContact CZ-CE2 4.04Å; F146-F435 HydrophobicContact CZ-CZ 4.17Å; R433-F435 WeakPolarHBondContact CD-O 3.49Å; R433-F435 WeakPolarHBondContact CG-O 3.33Å; R433-F435 PolarHBondContact NE-O 3.08Å; R433-F435 PolarHBondContact O-N 2.83Å; F435-V437 HydrophobicContact CD2-CG1 3.87Å; F435-V437 HydrophobicContact CE2-CG1 3.73Å; F435-I448 HydrophobicContact CB-CG2 3.75Å; F435-I448 HydrophobicContact CD1-CG2 4.39Å; F435-I448 HydrophobicContact CD2-CG2 3.98Å; F435-I448 HydrophobicContact CG-CG2 3.77Å; F435-I449 WeakPolarHBondContact CB-O 2.98Å; F435-K450 HydrophobicContact CB-CB 3.99Å; F435-K450 HydrophobicContact CB-CG 4.26Å
436	D	90.7	Very high	91.6	Very high	92 Å²	92	64.7 Å²	64.7	49%	0.492	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	166.8	164	-82.6	-47.6	0	0	0	111.9	R433 I449	R433-D436 IonicContact CZ-OD1 3.49Å; R433-D436 IonicContact NE-OD1 3.74Å; R433-D436 PolarHBondContact NE-OD1 2.79Å; R433-D436 IonicContact NH2-OD1 2.71Å; R433-D436 PolarHBondContact NH2-OD1 2.78Å; D436-I449 HydrophobicContact CB-CB 3.97Å; D436-I449 HydrophobicContact CB-CD1 4.16Å; D436-I449 HydrophobicContact CB-CG1 4.49Å; D436-I449 PolarHBondContact N-O 3.33Å; D436-I449 PolarHBondContact O-N 3.33Å
437	V	92.2	Very high	91.5	Very high	16 Å²	16	62 Å²	62	10%	0.097	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.8	178.1	-59.1	0	0	0	0	110.8	L333 L336 F435 I446 E447	L333-V437 HydrophobicContact CB-CG2 4.19Å; L333-V437 HydrophobicContact CD2-CG2 4.06Å; L333-V437 VanDerWaalsContact O-CG2 3.32Å; L333-V437 WeakPolarHBondContact O-CG2 3.42Å; L336-V437 HydrophobicContact CB-CG1 4.4Å; L336-V437 HydrophobicContact CD1-CG2 4.31Å; F435-V437 HydrophobicContact CD2-CG1 3.87Å; F435-V437 HydrophobicContact CE2-CG1 3.73Å; V437-I446 HydrophobicContact CB-CG2 3.76Å; V437-I446 HydrophobicContact CG1-CG2 4Å; V437-E447 CarbonylContact C-O 3.56Å; V437-E447 WeakPolarHBondContact CA-O 3.08Å
438	H	93.3	Very high	91.4	Very high	77 Å²	77	63.4 Å²	63.4	36%	0.356	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.4	172.1	174.2	75.7	0	0	0	109.8	I446 E447 I449 L458	H438-I446 CarbonylContact O-C 3.57Å; H438-E447 PolarHBondContact N-O 3.1Å; H438-E447 PolarHBondContact O-N 3.41Å; H438-I449 HydrophobicContact CB-CD1 3.95Å; H438-I449 HydrophobicContact CB-CG1 4.38Å; H438-L458 HydrophobicContact CB-CD1 4.13Å; H438-L458 HydrophobicContact CB-CD2 4.33Å; H438-L458 WeakPolarHBondContact CD2-CD2 3.35Å
439	Y	96.2	Very high	91.3	Very high	28 Å²	28	64 Å²	64	11%	0.11	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	120.5	172.8	178.4	-108	0	0	0	110.3	F285 P441 I446	F285-Y439 HydrophobicContact CB-CE2 4.37Å; F285-Y439 HydrophobicContact CD1-CD2 4.24Å; F285-Y439 AromaticContact CD1-CE2 3.66Å; F285-Y439 HydrophobicContact CD1-CE2 3.66Å; F285-Y439 HydrophobicContact CE1-CE2 4.31Å; F285-Y439 HydrophobicContact CG-CE2 4.3Å; Y439-P441 HydrophobicContact CD1-CB 4.34Å; Y439-P441 HydrophobicContact CE1-CB 3.91Å; Y439-P441 WeakPolarHBondContact O-CD 3.38Å; Y439-I446 HydrophobicContact CD2-CD1 3.83Å; Y439-I446 HydrophobicContact CG-CD1 4.46Å
440	N	94	Very high	91.2	Very high	22 Å²	22	60.9 Å²	60.9	12%	0.118	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	109	171.6	-175	-29.2	0	0	0	108.9	Y442 T443 Q444 S445 E447	N440-Y442 VanDerWaalsContact C-N 3.3Å; N440-Y442 PolarHBondContact O-N 3.04Å; N440-Y442 WeakPolarHBondContact OD1-CB 3.22Å; N440-Y442 PolarHBondContact OD1-N 3.33Å; N440-T443 WeakPolarHBondContact CB-OG1 3.37Å; N440-T443 VanDerWaalsContact CG-OG1 3.27Å; N440-T443 PolarHBondContact OD1-N 3.19Å; N440-Q444 VanDerWaalsContact O-CA 3.32Å; N440-Q444 WeakPolarHBondContact O-CA 2.96Å; N440-Q444 PolarHBondContact O-N 3.42Å; N440-S445 PolarHBondContact N-O 2.84Å; N440-S445 PolarHBondContact O-N 3.48Å; N440-E447 HydrophobicContact CB-CG 4.21Å; N440-E447 PolarHBondContact ND2-OE1 3.02Å
441	P	94.2	Very high	91	Very high	78 Å²	78	60.6 Å²	60.6	51%	0.506	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-24.1	-176.4	29.4	-35.5	0	0	0	113.3	Y439	Y439-P441 HydrophobicContact CD1-CB 4.34Å; Y439-P441 HydrophobicContact CE1-CB 3.91Å; Y439-P441 WeakPolarHBondContact O-CD 3.38Å
442	Y	91.9	Very high	91.1	Very high	184 Å²	184	65.3 Å²	65.3	72%	0.722	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-39	-179.6	-61.8	-75.8	0	0	0	111.9	N440 E465	N440-Y442 VanDerWaalsContact C-N 3.3Å; N440-Y442 PolarHBondContact O-N 3.04Å; N440-Y442 WeakPolarHBondContact OD1-CB 3.22Å; N440-Y442 PolarHBondContact OD1-N 3.33Å; Y442-E465 PolarHBondContact OH-OE1 3.4Å; Y442-E465 VanDerWaalsContact OH-OE1 3.1Å
443	T	93.8	Very high	91.3	Very high	70 Å²	70	65.4 Å²	65.4	43%	0.429	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	0.8	177.7	62.1	0	0	0	0	113	H149 N440 S445	H149-T443 PolarHBondContact CD2-O 3.48Å; N440-T443 WeakPolarHBondContact CB-OG1 3.37Å; N440-T443 VanDerWaalsContact CG-OG1 3.27Å; N440-T443 PolarHBondContact OD1-N 3.19Å; T443-S445 PolarHBondContact O-N 3.36Å; T443-S445 VanDerWaalsContact O-N 3.1Å; T443-S445 PolarHBondContact O-OG 3.02Å; T443-S445 WeakPolarHBondContact OG1-CB 3.37Å
444	Q	96.3	Very high	91.4	Very high	53 Å²	53	64 Å²	64	25%	0.248	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	39.9	-176.5	-53	-173	-64.9	0	0	113.1	I150 N440	I150-Q444 HydrophobicContact CB-CB 4.05Å; I150-Q444 HydrophobicContact CG2-CB 3.53Å; I150-Q444 HydrophobicContact CG2-CG 4.42Å; I150-Q444 PolarHBondContact N-O 2.78Å; N440-Q444 VanDerWaalsContact O-CA 3.32Å; N440-Q444 WeakPolarHBondContact O-CA 2.96Å; N440-Q444 PolarHBondContact O-N 3.42Å
445	S	95.7	Very high	91.6	Very high	28 Å²	28	64.1 Å²	64.1	20%	0.196	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	154.7	-170.6	-61.7	0	0	0	0	112.3	R148 H149 N440 T443	R148-S445 CarbonylContact O-C 3.59Å; R148-S445 VanDerWaalsContact O-CA 3.32Å; R148-S445 WeakPolarHBondContact O-CA 3.38Å; H149-S445 PolarHBondContact CD2-OG 3.4Å; N440-S445 PolarHBondContact N-O 2.84Å; N440-S445 PolarHBondContact O-N 3.48Å; T443-S445 PolarHBondContact O-N 3.36Å; T443-S445 VanDerWaalsContact O-N 3.1Å; T443-S445 PolarHBondContact O-OG 3.02Å; T443-S445 WeakPolarHBondContact OG1-CB 3.37Å
446	I	93.6	Very high	91.6	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.015	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.6	171.8	-57.6	-67.1	0	0	0	109.7	F146 R148 A284 F285 L333 L336 V437 H438 Y439	F146-I446 HydrophobicContact CE2-CB 4.43Å; F146-I446 HydrophobicContact CE2-CG2 3.94Å; R148-I446 PolarHBondContact NH1-O 3Å; R148-I446 PolarHBondContact NH2-O 3.08Å; R148-I446 PolarHBondContact O-N 3.41Å; A284-I446 HydrophobicContact CB-CD1 4.33Å; F285-I446 HydrophobicContact CE1-CD1 4.36Å; F285-I446 HydrophobicContact CE1-CG1 3.84Å; F285-I446 HydrophobicContact CE2-CD1 4.38Å; F285-I446 HydrophobicContact CE2-CG1 3.97Å; F285-I446 HydrophobicContact CZ-CD1 4.09Å; F285-I446 HydrophobicContact CZ-CG1 3.36Å; L333-I446 HydrophobicContact CD2-CD1 3.74Å; L336-I446 HydrophobicContact CD1-CB 4.34Å; L336-I446 HydrophobicContact CD1-CD1 3.51Å; L336-I446 HydrophobicContact CD1-CG1 3.63Å; L336-I446 HydrophobicContact CD1-CG2 3.86Å; V437-I446 HydrophobicContact CB-CG2 3.76Å; V437-I446 HydrophobicContact CG1-CG2 4Å; H438-I446 CarbonylContact O-C 3.57Å; Y439-I446 HydrophobicContact CD2-CD1 3.83Å; Y439-I446 HydrophobicContact CG-CD1 4.46Å
447	E	90.9	Very high	91.6	Very high	38 Å²	38	65.6 Å²	65.6	18%	0.178	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.8	170.4	-58.4	-163.8	-179	0	0	110.1	V437 H438 N440 K457	V437-E447 CarbonylContact C-O 3.56Å; V437-E447 WeakPolarHBondContact CA-O 3.08Å; H438-E447 PolarHBondContact N-O 3.1Å; H438-E447 PolarHBondContact O-N 3.41Å; N440-E447 HydrophobicContact CB-CG 4.21Å; N440-E447 PolarHBondContact ND2-OE1 3.02Å; E447-K457 IonicContact OE1-NZ 3.62Å; E447-K457 PolarHBondContact OE1-NZ 3.43Å; E447-K457 IonicContact OE2-NZ 3.97Å; E447-K457 PolarHBondContact OE2-NZ 3.44Å
448	I	91.2	Very high	91.4	Very high	36 Å²	36	66.5 Å²	66.5	19%	0.185	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127.9	175.5	-67.3	156.7	0	0	0	109.1	L139 F146 F435 K450	L139-I448 HydrophobicContact CD1-CD1 3.61Å; L139-I448 HydrophobicContact CD1-CG1 4.45Å; L139-I448 HydrophobicContact CD2-CD1 4.13Å; L139-I448 HydrophobicContact CD2-CG2 4.3Å; L139-I448 HydrophobicContact CG-CD1 3.97Å; F146-I448 HydrophobicContact CZ-CD1 4.47Å; F146-I448 HydrophobicContact CZ-CG1 4.36Å; F435-I448 HydrophobicContact CB-CG2 3.75Å; F435-I448 HydrophobicContact CD1-CG2 4.39Å; F435-I448 HydrophobicContact CD2-CG2 3.98Å; F435-I448 HydrophobicContact CG-CG2 3.77Å; I448-K450 HydrophobicContact CG2-CB 4.08Å
449	I	89.8	Confident	91.3	Very high	34 Å²	34	66.1 Å²	66.1	17%	0.174	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	96.9	175.3	-46.1	172.8	0	0	0	108.5	F435 D436 H438 V455 L458	F435-I449 WeakPolarHBondContact CB-O 2.98Å; D436-I449 HydrophobicContact CB-CB 3.97Å; D436-I449 HydrophobicContact CB-CD1 4.16Å; D436-I449 HydrophobicContact CB-CG1 4.49Å; D436-I449 PolarHBondContact N-O 3.33Å; D436-I449 PolarHBondContact O-N 3.33Å; H438-I449 HydrophobicContact CB-CD1 3.95Å; H438-I449 HydrophobicContact CB-CG1 4.38Å; I449-V455 HydrophobicContact CG2-CG2 3.54Å; I449-L458 HydrophobicContact CD1-CD1 3.26Å; I449-L458 HydrophobicContact CG1-CD1 3.6Å
450	K	87.2	Confident	90.9	Very high	117 Å²	117	69.8 Å²	69.8	51%	0.509	37%	0.368	S	S	.	.			trans	-123.4	-14.7	-179.7	-169.8	173.7	179.5	-179.7	0	113.5	L139 F435 I448 S454	L139-K450 HydrophobicContact CD2-CD 4.49Å; F435-K450 HydrophobicContact CB-CB 3.99Å; F435-K450 HydrophobicContact CB-CG 4.26Å; I448-K450 HydrophobicContact CG2-CB 4.08Å; K450-S454 PolarHBondContact N-OG 2.79Å
451	T	87.7	Confident	90.5	Very high	72 Å²	72	72.1 Å²	72.1	44%	0.442	38%	0.381	S	S	.	.	S	Bend	trans	-131.3	156.2	-172	68.1	0	0	0	0	111.8	K453 S454 V455	T451-K453 PolarHBondContact O-N 2.75Å; T451-K453 VanDerWaalsContact O-N 3.14Å; T451-K453 PolarHBondContact OG1-N 2.87Å; T451-S454 PolarHBondContact N-OG 3.18Å; T451-S454 PolarHBondContact O-N 3.22Å; T451-S454 PolarHBondContact O-OG 2.82Å; T451-S454 PolarHBondContact OG1-N 2.89Å; T451-S454 VanDerWaalsContact OG1-N 3.15Å; T451-S454 PolarHBondContact OG1-OG 2.81Å; T451-V455 PolarHBondContact O-N 2.81Å; T451-V455 VanDerWaalsContact O-N 3.16Å
452	P	89.2	Confident	90.2	Very high	115 Å²	115	73.5 Å²	73.5	75%	0.747	38%	0.383	S	S	*	.	H	α-helix	trans	-54.3	-31.8	170.6	-27.5	35.6	0	0	0	113	V455 A456	P452-V455 PolarHBondContact O-N 2.89Å; P452-A456 WeakPolarHBondContact O-CB 3.41Å; P452-A456 PolarHBondContact O-N 2.72Å
453	K	88.7	Confident	90.2	Very high	177 Å²	177	70.2 Å²	70.2	77%	0.77	37%	0.374	S	S	*	.	H	α-helix	trans	-67.5	-40.5	176.7	-172.6	178.8	177.9	-173.8	0	112.7	T451 V455 A456 K457	T451-K453 PolarHBondContact O-N 2.75Å; T451-K453 VanDerWaalsContact O-N 3.14Å; T451-K453 PolarHBondContact OG1-N 2.87Å; K453-V455 VanDerWaalsContact C-N 3.31Å; K453-A456 PolarHBondContact O-N 3.35Å; K453-K457 PolarHBondContact O-N 3.43Å; K453-K457 VanDerWaalsContact O-N 3.07Å
454	S	88	Confident	89.8	Confident	24 Å²	24	73.5 Å²	73.5	17%	0.168	38%	0.383	C	S	.	.	H	α-helix	trans	-65.4	-36.5	174.1	42.9	0	0	0	0	111.7	K450 T451 L458	K450-S454 PolarHBondContact N-OG 2.79Å; T451-S454 PolarHBondContact N-OG 3.18Å; T451-S454 PolarHBondContact O-N 3.22Å; T451-S454 PolarHBondContact O-OG 2.82Å; T451-S454 PolarHBondContact OG1-N 2.89Å; T451-S454 VanDerWaalsContact OG1-N 3.15Å; T451-S454 PolarHBondContact OG1-OG 2.81Å; S454-L458 PolarHBondContact O-N 2.88Å
455	V	90.2	Very high	89.2	Confident	72 Å²	72	75.8 Å²	75.8	44%	0.436	39%	0.394	S	S	.	.	H	α-helix	trans	-65.9	-46.4	174	179.1	0	0	0	0	110.7	I449 T451 P452 K453 K457 L458 V459	I449-V455 HydrophobicContact CG2-CG2 3.54Å; T451-V455 PolarHBondContact O-N 2.81Å; T451-V455 VanDerWaalsContact O-N 3.16Å; P452-V455 PolarHBondContact O-N 2.89Å; K453-V455 VanDerWaalsContact C-N 3.31Å; V455-K457 VanDerWaalsContact C-N 3.27Å; V455-K457 PolarHBondContact O-N 2.71Å; V455-L458 PolarHBondContact O-N 3.38Å; V455-L458 VanDerWaalsContact O-N 3.13Å; V455-V459 HydrophobicContact CG1-CG2 4.31Å; V455-V459 WeakPolarHBondContact O-CG2 3.43Å; V455-V459 PolarHBondContact O-N 2.78Å
456	A	90	Very high	89	Confident	56 Å²	56	78.9 Å²	78.9	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-58.7	-38.7	179	0	0	0	0	0	112.5	P452 K453 V459 Q460	P452-A456 WeakPolarHBondContact O-CB 3.41Å; P452-A456 PolarHBondContact O-N 2.72Å; K453-A456 PolarHBondContact O-N 3.35Å; A456-V459 PolarHBondContact O-N 2.8Å; A456-Q460 WeakPolarHBondContact O-CB 3.5Å; A456-Q460 PolarHBondContact O-N 3.28Å
457	K	88.9	Confident	88.8	Confident	77 Å²	77	82.3 Å²	82.3	34%	0.335	43%	0.429	S	S	.	.	H	α-helix	trans	-60	-50.1	174	-174.6	-167	164.9	-142.2	0	111.4	E447 K453 V455 V459 Q460 D461	E447-K457 IonicContact OE1-NZ 3.62Å; E447-K457 PolarHBondContact OE1-NZ 3.43Å; E447-K457 IonicContact OE2-NZ 3.97Å; E447-K457 PolarHBondContact OE2-NZ 3.44Å; K453-K457 PolarHBondContact O-N 3.43Å; K453-K457 VanDerWaalsContact O-N 3.07Å; V455-K457 VanDerWaalsContact C-N 3.27Å; V455-K457 PolarHBondContact O-N 2.71Å; K457-V459 VanDerWaalsContact C-N 3.31Å; K457-V459 PolarHBondContact O-N 2.91Å; K457-Q460 WeakPolarHBondContact O-CB 3.48Å; K457-Q460 PolarHBondContact O-N 2.89Å; K457-Q460 VanDerWaalsContact O-N 3.12Å; K457-D461 PolarHBondContact O-N 2.97Å
458	L	88.3	Confident	88.5	Confident	35 Å²	35	83 Å²	83	18%	0.183	44%	0.441	C	S	.	.	H	α-helix	trans	-62.5	-37.9	178.8	-69.7	174.4	0	0	0	112.8	H438 I449 S454 V455 Q460 D461 L462	H438-L458 HydrophobicContact CB-CD1 4.13Å; H438-L458 HydrophobicContact CB-CD2 4.33Å; H438-L458 WeakPolarHBondContact CD2-CD2 3.35Å; I449-L458 HydrophobicContact CD1-CD1 3.26Å; I449-L458 HydrophobicContact CG1-CD1 3.6Å; S454-L458 PolarHBondContact O-N 2.88Å; V455-L458 PolarHBondContact O-N 3.38Å; V455-L458 VanDerWaalsContact O-N 3.13Å; L458-Q460 VanDerWaalsContact C-N 3.32Å; L458-D461 PolarHBondContact O-N 3.33Å; L458-L462 WeakPolarHBondContact O-CB 3.48Å; L458-L462 PolarHBondContact O-N 3Å
459	V	90.7	Very high	88.3	Confident	70 Å²	70	85.8 Å²	85.8	42%	0.424	46%	0.455	S	S	.	.	H	α-helix	trans	-64	-40.5	174.8	172.1	0	0	0	0	110.8	V455 A456 K457 L462 Q463	V455-V459 HydrophobicContact CG1-CG2 4.31Å; V455-V459 WeakPolarHBondContact O-CG2 3.43Å; V455-V459 PolarHBondContact O-N 2.78Å; A456-V459 PolarHBondContact O-N 2.8Å; K457-V459 VanDerWaalsContact C-N 3.31Å; K457-V459 PolarHBondContact O-N 2.91Å; V459-L462 PolarHBondContact O-N 2.82Å; V459-Q463 VanDerWaalsContact O-CG 3.31Å; V459-Q463 WeakPolarHBondContact O-CG 3.35Å; V459-Q463 PolarHBondContact O-N 2.87Å
460	Q	89.2	Confident	88.3	Confident	105 Å²	105	88.5 Å²	88.5	49%	0.491	47%	0.47	S	S	.	.	H	α-helix	trans	-64.6	-44.4	176.9	-172.3	177.1	7.7	0	0	111.6	A456 K457 L458 L462 Q463 F464	A456-Q460 WeakPolarHBondContact O-CB 3.5Å; A456-Q460 PolarHBondContact O-N 3.28Å; K457-Q460 WeakPolarHBondContact O-CB 3.48Å; K457-Q460 PolarHBondContact O-N 2.89Å; K457-Q460 VanDerWaalsContact O-N 3.12Å; L458-Q460 VanDerWaalsContact C-N 3.32Å; Q460-L462 VanDerWaalsContact C-N 3.32Å; Q460-L462 PolarHBondContact O-N 3.2Å; Q460-Q463 WeakPolarHBondContact O-CB 3.35Å; Q460-Q463 PolarHBondContact O-N 2.91Å; Q460-Q463 VanDerWaalsContact O-N 3.16Å; Q460-F464 HydrophobicContact CG-CD2 4.33Å; Q460-F464 HydrophobicContact CG-CE2 3.88Å; Q460-F464 WeakPolarHBondContact O-CD2 3.49Å; Q460-F464 PolarHBondContact O-N 3.46Å
461	D	85.9	Confident	88.4	Confident	70 Å²	70	88.1 Å²	88.1	37%	0.374	47%	0.47	S	S	.	.	H	α-helix	trans	-60.4	-42.9	176.1	-64.2	-21.9	0	0	0	110.8	K457 L458 Q463 F464 E465	K457-D461 PolarHBondContact O-N 2.97Å; L458-D461 PolarHBondContact O-N 3.33Å; D461-Q463 PolarHBondContact O-N 3.45Å; D461-F464 PolarHBondContact O-N 3.12Å; D461-E465 PolarHBondContact O-N 2.78Å
462	L	87.9	Confident	88.4	Confident	107 Å²	107	87.5 Å²	87.5	56%	0.56	47%	0.469	S	S	*	.	H	α-helix	trans	-63.7	-37	174.8	-166.8	91.7	0	0	0	112.7	L458 V459 Q460 F464 E465 L466	L458-L462 WeakPolarHBondContact O-CB 3.48Å; L458-L462 PolarHBondContact O-N 3Å; V459-L462 PolarHBondContact O-N 2.82Å; Q460-L462 VanDerWaalsContact C-N 3.32Å; Q460-L462 PolarHBondContact O-N 3.2Å; L462-F464 VanDerWaalsContact C-N 3.32Å; L462-F464 PolarHBondContact O-N 3.5Å; L462-E465 PolarHBondContact O-N 3.15Å; L462-L466 HydrophobicContact CD2-CD1 3.98Å; L462-L466 HydrophobicContact CG-CD1 4.24Å; L462-L466 HydrophobicContact CG-CG 4.45Å; L462-L466 WeakPolarHBondContact O-CB 3.06Å; L462-L466 WeakPolarHBondContact O-CG 3.17Å; L462-L466 PolarHBondContact O-N 3.15Å
463	Q	90.1	Very high	88.5	Confident	115 Å²	115	86.6 Å²	86.6	54%	0.537	46%	0.457	S	S	.	.	H	α-helix	trans	-64	-36.5	177.3	-79.1	175	-7.6	0	0	112.2	V459 Q460 D461 L466 T467	V459-Q463 VanDerWaalsContact O-CG 3.31Å; V459-Q463 WeakPolarHBondContact O-CG 3.35Å; V459-Q463 PolarHBondContact O-N 2.87Å; Q460-Q463 WeakPolarHBondContact O-CB 3.35Å; Q460-Q463 PolarHBondContact O-N 2.91Å; Q460-Q463 VanDerWaalsContact O-N 3.16Å; D461-Q463 PolarHBondContact O-N 3.45Å; Q463-L466 PolarHBondContact O-N 3.06Å; Q463-T467 PolarHBondContact O-N 3.25Å; Q463-T467 PolarHBondContact O-OG1 3.42Å
464	F	85.6	Confident	88.5	Confident	139 Å²	139	82.6 Å²	82.6	61%	0.61	44%	0.444	S	S	*	.	H	α-helix	trans	-62.4	-45	173.5	-77.7	-69	0	0	0	111.3	Q460 D461 L462 T467	Q460-F464 HydrophobicContact CG-CD2 4.33Å; Q460-F464 HydrophobicContact CG-CE2 3.88Å; Q460-F464 WeakPolarHBondContact O-CD2 3.49Å; Q460-F464 PolarHBondContact O-N 3.46Å; D461-F464 PolarHBondContact O-N 3.12Å; L462-F464 VanDerWaalsContact C-N 3.32Å; L462-F464 PolarHBondContact O-N 3.5Å; F464-T467 WeakPolarHBondContact O-CB 3.38Å; F464-T467 PolarHBondContact O-N 3.14Å
465	E	84.9	Confident	88.6	Confident	102 Å²	102	87.9 Å²	87.9	48%	0.477	46%	0.464	S	S	.	.	H	α-helix	trans	-63.5	-43.4	176.5	-65.7	-71.2	177.4	0	0	112.2	Y442 D461 L462 T467 A468 I469	Y442-E465 PolarHBondContact OH-OE1 3.4Å; Y442-E465 VanDerWaalsContact OH-OE1 3.1Å; D461-E465 PolarHBondContact O-N 2.78Å; L462-E465 PolarHBondContact O-N 3.15Å; E465-T467 PolarHBondContact O-N 2.68Å; E465-A468 PolarHBondContact O-N 2.8Å; E465-I469 PolarHBondContact O-N 2.94Å
466	L	90.6	Very high	88.6	Confident	93 Å²	93	89 Å²	89	49%	0.487	47%	0.465	S	S	.	.	H	α-helix	trans	-65.3	-28.5	177.7	-73.9	174	0	0	0	112.9	L462 Q463 I469 N470	L462-L466 HydrophobicContact CD2-CD1 3.98Å; L462-L466 HydrophobicContact CG-CD1 4.24Å; L462-L466 HydrophobicContact CG-CG 4.45Å; L462-L466 WeakPolarHBondContact O-CB 3.06Å; L462-L466 WeakPolarHBondContact O-CG 3.17Å; L462-L466 PolarHBondContact O-N 3.15Å; Q463-L466 PolarHBondContact O-N 3.06Å; L466-I469 HydrophobicContact CD2-CD1 4.34Å; L466-I469 PolarHBondContact O-N 3.16Å; L466-N470 WeakPolarHBondContact O-CB 3.36Å; L466-N470 PolarHBondContact O-N 3.34Å
467	T	90.2	Very high	88.5	Confident	74 Å²	74	89.9 Å²	89.9	45%	0.454	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-42.4	177.2	-61.7	0	0	0	0	110.6	Q463 F464 E465 I469 N470 E471	Q463-T467 PolarHBondContact O-N 3.25Å; Q463-T467 PolarHBondContact O-OG1 3.42Å; F464-T467 WeakPolarHBondContact O-CB 3.38Å; F464-T467 PolarHBondContact O-N 3.14Å; E465-T467 PolarHBondContact O-N 2.68Å; T467-I469 VanDerWaalsContact C-N 3.31Å; T467-I469 PolarHBondContact O-N 3.18Å; T467-N470 PolarHBondContact O-N 3.21Å; T467-E471 PolarHBondContact O-N 3.44Å
468	A	84.2	Confident	88.3	Confident	52 Å²	52	93.9 Å²	93.9	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-62.2	-37.6	176	0	0	0	0	0	112.4	E465 S472	E465-A468 PolarHBondContact O-N 2.8Å; A468-S472 PolarHBondContact O-N 2.9Å; A468-S472 VanDerWaalsContact O-N 3.15Å; A468-S472 PolarHBondContact O-OG 3.31Å
469	I	87.9	Confident	87.9	Confident	96 Å²	96	97.8 Å²	97.8	49%	0.492	50%	0.497	S	S	.	.	H	α-helix	trans	-66.7	-44.5	174.8	-60.1	178.8	0	0	0	110.4	E465 L466 T467 E471 S472 L473	E465-I469 PolarHBondContact O-N 2.94Å; L466-I469 HydrophobicContact CD2-CD1 4.34Å; L466-I469 PolarHBondContact O-N 3.16Å; T467-I469 VanDerWaalsContact C-N 3.31Å; T467-I469 PolarHBondContact O-N 3.18Å; I469-E471 PolarHBondContact O-N 3.38Å; I469-S472 WeakPolarHBondContact O-CB 3.29Å; I469-S472 PolarHBondContact O-N 3.28Å; I469-S472 VanDerWaalsContact O-N 3.14Å; I469-L473 HydrophobicContact CG2-CD1 4.19Å; I469-L473 HydrophobicContact CG2-CG 4.47Å; I469-L473 WeakPolarHBondContact O-CG 3.44Å; I469-L473 PolarHBondContact O-N 2.97Å
470	N	88.8	Confident	87.5	Confident	90 Å²	90	98.6 Å²	98.6	48%	0.481	50%	0.498	S	S	.	.	H	α-helix	trans	-61.3	-42.8	178.9	-174.1	51.4	0	0	0	112	L466 T467 S472 L473 L474	L466-N470 WeakPolarHBondContact O-CB 3.36Å; L466-N470 PolarHBondContact O-N 3.34Å; T467-N470 PolarHBondContact O-N 3.21Å; N470-S472 VanDerWaalsContact C-N 3.29Å; N470-S472 PolarHBondContact O-N 3.13Å; N470-L473 PolarHBondContact O-N 3.27Å; N470-L474 WeakPolarHBondContact O-CG 3.15Å; N470-L474 PolarHBondContact O-N 2.8Å
471	E	89.1	Confident	87	Confident	109 Å²	109	101 Å²	101	51%	0.509	50%	0.503	S	S	.	.	H	α-helix	trans	-60.8	-39	174.1	-72.1	-173	178.1	0	0	112.5	T467 I469 L474 K475	T467-E471 PolarHBondContact O-N 3.44Å; I469-E471 PolarHBondContact O-N 3.38Å; E471-L474 PolarHBondContact O-N 2.82Å; E471-K475 WeakPolarHBondContact O-CG 3.35Å; E471-K475 PolarHBondContact O-N 3.2Å
472	S	88.7	Confident	86.4	Confident	59 Å²	59	100.8 Å²	100.8	41%	0.413	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-42.1	176.2	-58.2	0	0	0	0	111.7	A468 I469 N470 L474 K475 M476	A468-S472 PolarHBondContact O-N 2.9Å; A468-S472 VanDerWaalsContact O-N 3.15Å; A468-S472 PolarHBondContact O-OG 3.31Å; I469-S472 WeakPolarHBondContact O-CB 3.29Å; I469-S472 PolarHBondContact O-N 3.28Å; I469-S472 VanDerWaalsContact O-N 3.14Å; N470-S472 VanDerWaalsContact C-N 3.29Å; N470-S472 PolarHBondContact O-N 3.13Å; S472-L474 PolarHBondContact O-N 3.26Å; S472-K475 PolarHBondContact O-N 2.99Å; S472-M476 PolarHBondContact O-N 3.44Å
473	L	89.7	Confident	85.6	Confident	97 Å²	97	101.7 Å²	101.7	51%	0.508	51%	0.508	S	S	.	.	H	α-helix	trans	-62.4	-40.7	174.3	-71	170.4	0	0	0	112.2	I469 N470 M476 N477	I469-L473 HydrophobicContact CG2-CD1 4.19Å; I469-L473 HydrophobicContact CG2-CG 4.47Å; I469-L473 WeakPolarHBondContact O-CG 3.44Å; I469-L473 PolarHBondContact O-N 2.97Å; N470-L473 PolarHBondContact O-N 3.27Å; L473-M476 HydrophobicContact CD2-CE 3.91Å; L473-M476 HydrophobicContact CG-CE 4.5Å; L473-M476 PolarHBondContact O-N 2.98Å; L473-N477 WeakPolarHBondContact O-CB 3.34Å; L473-N477 PolarHBondContact O-N 3.48Å
474	L	90.7	Very high	84.5	Confident	93 Å²	93	101.7 Å²	101.7	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-64.6	-39.1	176.5	-71.2	172.6	0	0	0	112.3	N470 E471 S472 K478	N470-L474 WeakPolarHBondContact O-CG 3.15Å; N470-L474 PolarHBondContact O-N 2.8Å; E471-L474 PolarHBondContact O-N 2.82Å; S472-L474 PolarHBondContact O-N 3.26Å; L474-K478 WeakPolarHBondContact O-CG 3.42Å; L474-K478 PolarHBondContact O-N 3.13Å; L474-K478 VanDerWaalsContact O-N 3.15Å
475	K	89.8	Confident	83.7	Confident	134 Å²	134	102.7 Å²	102.7	58%	0.583	51%	0.512	S	S	*	.	H	α-helix	trans	-63.3	-49.5	174.4	-73	175.6	-175.9	173.1	0	111.4	E471 S472 N477 K478 E479	E471-K475 WeakPolarHBondContact O-CG 3.35Å; E471-K475 PolarHBondContact O-N 3.2Å; S472-K475 PolarHBondContact O-N 2.99Å; K475-N477 VanDerWaalsContact C-N 3.32Å; K475-N477 PolarHBondContact O-N 3.28Å; K475-K478 WeakPolarHBondContact O-CB 3.48Å; K475-K478 PolarHBondContact O-N 3.17Å; K475-K478 VanDerWaalsContact O-N 3.15Å; K475-E479 PolarHBondContact O-N 2.76Å; K475-E479 VanDerWaalsContact O-N 3.08Å
476	M	89.5	Confident	82.8	Confident	96 Å²	96	101.8 Å²	101.8	47%	0.473	51%	0.514	S	S	.	.	H	α-helix	trans	-59.5	-40.1	177.7	-72.9	-174.1	-80.3	0	0	112.5	S472 L473 K478 E479 I480	S472-M476 PolarHBondContact O-N 3.44Å; L473-M476 HydrophobicContact CD2-CE 3.91Å; L473-M476 HydrophobicContact CG-CE 4.5Å; L473-M476 PolarHBondContact O-N 2.98Å; M476-K478 PolarHBondContact O-N 2.85Å; M476-E479 PolarHBondContact O-N 2.84Å; M476-I480 WeakPolarHBondContact O-CG1 3.49Å; M476-I480 PolarHBondContact O-N 3.21Å
477	N	88	Confident	81.5	Confident	75 Å²	75	101.2 Å²	101.2	40%	0.401	51%	0.514	S	S	.	.	H	α-helix	trans	-66.2	-37.1	177.6	-164.9	-4.8	0	0	0	112.3	L473 K475 I480 R481	L473-N477 WeakPolarHBondContact O-CB 3.34Å; L473-N477 PolarHBondContact O-N 3.48Å; K475-N477 VanDerWaalsContact C-N 3.32Å; K475-N477 PolarHBondContact O-N 3.28Å; N477-I480 PolarHBondContact O-N 3.39Å; N477-R481 WeakPolarHBondContact O-CG 3.32Å; N477-R481 PolarHBondContact O-N 3.41Å
478	K	85	Confident	80.3	Confident	160 Å²	160	102.7 Å²	102.7	70%	0.696	52%	0.519	S	S	*	.	H	α-helix	trans	-63.1	-42.3	173.3	-74.8	177.6	-179.5	179.7	0	111.7	L474 K475 M476 R481 S482	L474-K478 WeakPolarHBondContact O-CG 3.42Å; L474-K478 PolarHBondContact O-N 3.13Å; L474-K478 VanDerWaalsContact O-N 3.15Å; K475-K478 WeakPolarHBondContact O-CB 3.48Å; K475-K478 PolarHBondContact O-N 3.17Å; K475-K478 VanDerWaalsContact O-N 3.15Å; M476-K478 PolarHBondContact O-N 2.85Å; K478-R481 PolarHBondContact O-N 3.4Å; K478-S482 PolarHBondContact O-N 3.02Å
479	E	80.3	Confident	79.3	Confident	118 Å²	118	106.8 Å²	106.8	55%	0.551	53%	0.528	S	S	*	.	H	α-helix	trans	-62.1	-47.7	176.3	-72.6	176.9	-178.7	0	0	111.6	K475 M476 R481 S482 Q483	K475-E479 PolarHBondContact O-N 2.76Å; K475-E479 VanDerWaalsContact O-N 3.08Å; M476-E479 PolarHBondContact O-N 2.84Å; E479-R481 VanDerWaalsContact C-N 3.34Å; E479-R481 PolarHBondContact O-N 2.75Å; E479-S482 PolarHBondContact O-N 2.92Å; E479-S482 VanDerWaalsContact O-N 3.12Å; E479-S482 PolarHBondContact O-OG 3.09Å; E479-Q483 WeakPolarHBondContact O-CG 3.25Å; E479-Q483 PolarHBondContact O-N 2.84Å
480	I	80.8	Confident	78.1	Confident	87 Å²	87	106.5 Å²	106.5	45%	0.446	53%	0.526	S	S	.	.	H	α-helix	trans	-58	-45.3	177	-67.7	166.8	0	0	0	111.1	M476 N477 S482 Q483 Q484	M476-I480 WeakPolarHBondContact O-CG1 3.49Å; M476-I480 PolarHBondContact O-N 3.21Å; N477-I480 PolarHBondContact O-N 3.39Å; I480-S482 VanDerWaalsContact C-N 3.34Å; I480-S482 PolarHBondContact O-N 3.49Å; I480-Q483 PolarHBondContact O-N 2.95Å; I480-Q484 WeakPolarHBondContact O-CG 3.47Å; I480-Q484 PolarHBondContact O-N 2.8Å
481	R	78.4	Confident	77	Confident	155 Å²	155	105.4 Å²	105.4	59%	0.585	52%	0.522	S	S	*	.	H	α-helix	trans	-63.3	-38.6	177.2	-73.5	-179.6	-176.8	-163	-2.5	112.5	N477 K478 E479 Q484 F485	N477-R481 WeakPolarHBondContact O-CG 3.32Å; N477-R481 PolarHBondContact O-N 3.41Å; K478-R481 PolarHBondContact O-N 3.4Å; E479-R481 VanDerWaalsContact C-N 3.34Å; E479-R481 PolarHBondContact O-N 2.75Å; R481-Q484 PolarHBondContact O-N 3.23Å; R481-F485 PolarHBondContact O-N 2.89Å
482	S	75.1	Confident	75.8	Confident	65 Å²	65	104 Å²	104	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-66.8	-37.9	177.3	72.9	0	0	0	0	112.6	K478 E479 I480 F485 T486	K478-S482 PolarHBondContact O-N 3.02Å; E479-S482 PolarHBondContact O-N 2.92Å; E479-S482 VanDerWaalsContact O-N 3.12Å; E479-S482 PolarHBondContact O-OG 3.09Å; I480-S482 VanDerWaalsContact C-N 3.34Å; I480-S482 PolarHBondContact O-N 3.49Å; S482-F485 PolarHBondContact O-N 3.27Å; S482-T486 PolarHBondContact O-N 2.95Å; S482-T486 VanDerWaalsContact O-N 3.09Å; S482-T486 PolarHBondContact O-OG1 3.48Å
483	Q	70.5	Confident	74.6	Confident	127 Å²	127	107 Å²	107	59%	0.593	53%	0.529	S	S	*	.	H	α-helix	trans	-66.8	-43.7	174.4	-70.6	178.5	-0.1	0	0	111.4	E479 I480 F485 T486 T487	E479-Q483 WeakPolarHBondContact O-CG 3.25Å; E479-Q483 PolarHBondContact O-N 2.84Å; I480-Q483 PolarHBondContact O-N 2.95Å; Q483-F485 VanDerWaalsContact C-N 3.34Å; Q483-F485 PolarHBondContact O-N 2.93Å; Q483-T486 WeakPolarHBondContact O-CB 3.18Å; Q483-T486 PolarHBondContact O-N 2.82Å; Q483-T486 VanDerWaalsContact O-N 3.14Å; Q483-T487 PolarHBondContact O-N 3.42Å; Q483-T487 PolarHBondContact O-OG1 3.35Å; Q483-T487 VanDerWaalsContact O-OG1 3.07Å
484	Q	67.8	Low	73.2	Confident	114 Å²	114	107.9 Å²	107.9	53%	0.533	53%	0.534	S	S	.	.	H	α-helix	trans	-61	-40.4	175.3	-74	178.3	-14.1	0	0	112.6	I480 R481 T486 T487 N488	I480-Q484 WeakPolarHBondContact O-CG 3.47Å; I480-Q484 PolarHBondContact O-N 2.8Å; R481-Q484 PolarHBondContact O-N 3.23Å; Q484-T486 VanDerWaalsContact C-N 3.31Å; Q484-T486 PolarHBondContact O-N 2.75Å; Q484-T487 PolarHBondContact O-N 2.95Å; Q484-N488 WeakPolarHBondContact O-CB 3.28Å; Q484-N488 PolarHBondContact O-N 3.2Å; Q484-N488 PolarHBondContact O-ND2 2.94Å
485	F	68.6	Low	71.8	Confident	161 Å²	161	113.5 Å²	113.5	71%	0.706	55%	0.549	S	S	*	.	H	α-helix	trans	-62	-39.7	174	-106.1	-84	0	0	0	112.3	R481 S482 Q483 K489	R481-F485 PolarHBondContact O-N 2.89Å; S482-F485 PolarHBondContact O-N 3.27Å; Q483-F485 VanDerWaalsContact C-N 3.34Å; Q483-F485 PolarHBondContact O-N 2.93Å; F485-K489 PolarHBondContact O-N 2.68Å; F485-K489 VanDerWaalsContact O-N 3.08Å
486	T	65.3	Low	70.2	Confident	82 Å²	82	112.2 Å²	112.2	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-67.7	-44.4	178.3	-49.7	0	0	0	0	111.1	S482 Q483 Q484 N488 K489 I490	S482-T486 PolarHBondContact O-N 2.95Å; S482-T486 VanDerWaalsContact O-N 3.09Å; S482-T486 PolarHBondContact O-OG1 3.48Å; Q483-T486 WeakPolarHBondContact O-CB 3.18Å; Q483-T486 PolarHBondContact O-N 2.82Å; Q483-T486 VanDerWaalsContact O-N 3.14Å; Q484-T486 VanDerWaalsContact C-N 3.31Å; Q484-T486 PolarHBondContact O-N 2.75Å; T486-N488 PolarHBondContact O-N 3.34Å; T486-K489 WeakPolarHBondContact O-CB 3.47Å; T486-K489 PolarHBondContact O-N 3.36Å; T486-I490 HydrophobicContact CG2-CD1 4.28Å; T486-I490 WeakPolarHBondContact O-CG1 3.14Å; T486-I490 PolarHBondContact O-N 2.88Å; T486-I490 VanDerWaalsContact O-N 3.09Å
487	T	63.1	Low	68.3	Low	82 Å²	82	114.3 Å²	114.3	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-61.9	-43.1	175.8	-53.7	0	0	0	0	111.9	Q483 Q484 K489 I490 V491	Q483-T487 PolarHBondContact O-N 3.42Å; Q483-T487 PolarHBondContact O-OG1 3.35Å; Q483-T487 VanDerWaalsContact O-OG1 3.07Å; Q484-T487 PolarHBondContact O-N 2.95Å; T487-K489 VanDerWaalsContact C-N 3.31Å; T487-K489 PolarHBondContact O-N 3.5Å; T487-I490 PolarHBondContact O-N 3.13Å; T487-V491 VanDerWaalsContact O-CG2 3.31Å; T487-V491 WeakPolarHBondContact O-CG2 3Å; T487-V491 PolarHBondContact O-N 3.14Å
488	N	65.7	Low	67.3	Low	104 Å²	104	116.3 Å²	116.3	56%	0.556	59%	0.59	S	S	*	*	H	α-helix	trans	-64.2	-36.9	177.4	-74.8	-19.7	0	0	0	112	Q484 T486 V491 T492	Q484-N488 WeakPolarHBondContact O-CB 3.28Å; Q484-N488 PolarHBondContact O-N 3.2Å; Q484-N488 PolarHBondContact O-ND2 2.94Å; T486-N488 PolarHBondContact O-N 3.34Å; N488-V491 PolarHBondContact O-N 3.34Å; N488-T492 WeakPolarHBondContact O-CG2 2.94Å; N488-T492 PolarHBondContact O-N 3.05Å; N488-T492 PolarHBondContact O-OG1 3.29Å; N488-T492 VanDerWaalsContact O-OG1 3.09Å
489	K	63.2	Low	66.4	Low	139 Å²	139	113.9 Å²	113.9	60%	0.604	58%	0.584	S	S	*	*	H	α-helix	trans	-62	-45.9	174.8	-119.3	-176.7	175.5	-171.3	0	112.2	F485 T486 T487 V491 T492 E493	F485-K489 PolarHBondContact O-N 2.68Å; F485-K489 VanDerWaalsContact O-N 3.08Å; T486-K489 WeakPolarHBondContact O-CB 3.47Å; T486-K489 PolarHBondContact O-N 3.36Å; T487-K489 VanDerWaalsContact C-N 3.31Å; T487-K489 PolarHBondContact O-N 3.5Å; K489-V491 VanDerWaalsContact C-N 3.34Å; K489-V491 PolarHBondContact O-N 3Å; K489-T492 WeakPolarHBondContact CA-OG1 3.45Å; K489-T492 PolarHBondContact O-N 3.28Å; K489-T492 PolarHBondContact O-OG1 3.33Å; K489-E493 WeakPolarHBondContact O-CG 3.1Å; K489-E493 PolarHBondContact O-N 3.33Å
490	I	62.6	Low	65.6	Low	89 Å²	89	113.7 Å²	113.7	46%	0.456	59%	0.586	S	S	.	*	H	α-helix	trans	-63.6	-40.4	177.8	-64.5	164.9	0	0	0	110.9	T486 T487 T492 E493 N494	T486-I490 HydrophobicContact CG2-CD1 4.28Å; T486-I490 WeakPolarHBondContact O-CG1 3.14Å; T486-I490 PolarHBondContact O-N 2.88Å; T486-I490 VanDerWaalsContact O-N 3.09Å; T487-I490 PolarHBondContact O-N 3.13Å; I490-T492 VanDerWaalsContact C-N 3.35Å; I490-E493 PolarHBondContact O-N 2.88Å; I490-N494 WeakPolarHBondContact O-CB 3.31Å; I490-N494 PolarHBondContact O-N 2.98Å
491	V	64.2	Low	64.7	Low	67 Å²	67	115.3 Å²	115.3	41%	0.406	59%	0.594	S	S	.	*	H	α-helix	trans	-67	-35.6	176.7	173.5	0	0	0	0	111.7	T487 N488 K489 R495	T487-V491 VanDerWaalsContact O-CG2 3.31Å; T487-V491 WeakPolarHBondContact O-CG2 3Å; T487-V491 PolarHBondContact O-N 3.14Å; N488-V491 PolarHBondContact O-N 3.34Å; K489-V491 VanDerWaalsContact C-N 3.34Å; K489-V491 PolarHBondContact O-N 3Å; V491-R495 WeakPolarHBondContact O-CG 3.48Å; V491-R495 PolarHBondContact O-N 2.96Å
492	T	65.7	Low	63.9	Low	79 Å²	79	112.8 Å²	112.8	49%	0.485	60%	0.595	S	S	.	*	H	α-helix	trans	-71.9	-36.8	175	49.1	0	0	0	0	112.9	N488 K489 I490 R495 S496	N488-T492 WeakPolarHBondContact O-CG2 2.94Å; N488-T492 PolarHBondContact O-N 3.05Å; N488-T492 PolarHBondContact O-OG1 3.29Å; N488-T492 VanDerWaalsContact O-OG1 3.09Å; K489-T492 WeakPolarHBondContact CA-OG1 3.45Å; K489-T492 PolarHBondContact O-N 3.28Å; K489-T492 PolarHBondContact O-OG1 3.33Å; I490-T492 VanDerWaalsContact C-N 3.35Å; T492-R495 PolarHBondContact O-N 3.42Å; T492-S496 PolarHBondContact O-N 2.8Å; T492-S496 PolarHBondContact O-OG 3.26Å
493	E	62.6	Low	63.1	Low	123 Å²	123	116 Å²	116	58%	0.575	60%	0.604	S	S	*	*	H	α-helix	trans	-67.5	-43.1	176.8	-76.1	172.7	-177.1	0	0	111.2	K489 I490 R495 S496 S497	K489-E493 WeakPolarHBondContact O-CG 3.1Å; K489-E493 PolarHBondContact O-N 3.33Å; I490-E493 PolarHBondContact O-N 2.88Å; E493-R495 VanDerWaalsContact C-N 3.26Å; E493-R495 PolarHBondContact O-N 3.21Å; E493-S496 PolarHBondContact O-N 3.01Å; E493-S497 PolarHBondContact O-N 3.31Å
494	N	60.2	Low	62.6	Low	116 Å²	116	115.2 Å²	115.2	62%	0.62	61%	0.605	S	S	*	*	H	α-helix	trans	-70	-15	176.7	-78	-13.1	0	0	0	114.9	I490 S497	I490-N494 WeakPolarHBondContact O-CB 3.31Å; I490-N494 PolarHBondContact O-N 2.98Å; N494-S497 PolarHBondContact O-OG 3.01Å
495	R	61.2	Low	62.2	Low	210 Å²	210	115.3 Å²	115.3	79%	0.792	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-12.2	171.6	-78.8	-176.8	176.5	-175.8	0.4	113	V491 T492 E493	V491-R495 WeakPolarHBondContact O-CG 3.48Å; V491-R495 PolarHBondContact O-N 2.96Å; T492-R495 PolarHBondContact O-N 3.42Å; E493-R495 VanDerWaalsContact C-N 3.26Å; E493-R495 PolarHBondContact O-N 3.21Å
496	S	57.2	Low	61.7	Low	108 Å²	108	111.5 Å²	111.5	76%	0.755	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-10.2	-177.4	-50.2	0	0	0	0	112.7	T492 E493	T492-S496 PolarHBondContact O-N 2.8Å; T492-S496 PolarHBondContact O-OG 3.26Å; E493-S496 PolarHBondContact O-N 3.01Å
497	S	49	Very low	61.3	Low	139 Å²	139	114.2 Å²	114.2	97%	0.972	61%	0.611	S	S	*	*			trans	-96.3	0	168.4	58.3	0	0	0	0	110.7	E493 N494	E493-S497 PolarHBondContact O-N 3.31Å; N494-S497 PolarHBondContact O-OG 3.01Å

Retrieved 497 of 497 residues in 101.6 ms (Link to these results)

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