A0A087X900_POEFO Loading...

THUMP domain containing 3

AlphaFold DB , UniProt , Accession A0A087X900, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 498 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	35.6	Very low	31.7	Very low	234 Å²	234	144.4 Å²	144.4	100%	1.153	81%	0.811	S	S	*	*				0	104.2	0	-69.9	-166.8	177	0	0	106.5
2	S	33.8	Very low	31.5	Very low	120 Å²	120	143.1 Å²	143.1	84%	0.839	81%	0.81	S	S	*	*				64.1	130.2	121.4	-71.4	0	0	0	0	114
3	S	32.6	Very low	31.2	Very low	98 Å²	98	139.5 Å²	139.5	69%	0.685	81%	0.809	S	S	*	*			cis	176.7	143.7	5	38.3	0	0	0	0	106.3
4	Q	33.7	Very low	31	Very low	192 Å²	192	140.9 Å²	140.9	90%	0.897	81%	0.812	S	S	*	*			trans	35.5	149.4	133.2	-66	177.6	-16.2	0	0	120.2
5	A	35	Very low	30.8	Very low	84 Å²	84	140.9 Å²	140.9	69%	0.694	82%	0.815	S	S	*	*			cis	-170.7	157.9	1.4	0	0	0	0	0	104.9
6	E	31.5	Very low	30.8	Very low	189 Å²	189	139.9 Å²	139.9	88%	0.883	81%	0.812	S	S	*	*				-178.5	135.3	81.1	-82.5	174.1	145	0	0	104.5
7	E	30.5	Very low	30.6	Very low	188 Å²	188	143.4 Å²	143.4	88%	0.879	82%	0.818	S	S	*	*			cis	87.4	110	35.4	-151.5	173	-132.2	0	0	115.6
8	A	29.1	Very low	30.4	Very low	96 Å²	96	140.3 Å²	140.3	79%	0.793	81%	0.813	S	S	*	*			trans	-170.1	92.8	148	0	0	0	0	0	106.9
9	A	29.8	Very low	30.8	Very low	81 Å²	81	139.4 Å²	139.4	67%	0.669	81%	0.813	S	S	*	*				68.3	100	81.4	0	0	0	0	0	112.8
10	E	29.2	Very low	30.6	Very low	165 Å²	165	141 Å²	141	77%	0.771	82%	0.816	S	S	*	*				86.7	142.7	92.8	-89	-168.8	130.3	0	0	112.3
11	Q	28.4	Very low	30.5	Very low	141 Å²	141	139 Å²	139	66%	0.659	81%	0.81	S	S	*	*			cis	-167.4	140.2	27.1	-122.7	160.4	30.6	0	0	111.2
12	T	28.2	Very low	30.2	Very low	129 Å²	129	133.1 Å²	133.1	79%	0.791	79%	0.792	S	S	*	*			trans	20.7	141.1	136.7	61.4	0	0	0	0	123.6
13	A	28.5	Very low	29.9	Very low	97 Å²	97	132.6 Å²	132.6	80%	0.802	79%	0.788	S	S	*	*				-170	118.3	116.8	0	0	0	0	0	112.6
14	D	27.6	Very low	29.7	Very low	159 Å²	159	132.8 Å²	132.8	85%	0.85	79%	0.79	S	S	*	*			trans	-77.8	144	158.5	-102	-36.6	0	0	0	109.7
15	T	28.6	Very low	29.7	Very low	140 Å²	140	129.3 Å²	129.3	86%	0.859	78%	0.782	S	S	*	*			trans	-150.4	125.5	151.8	-36.5	0	0	0	0	110.7
16	V	31.4	Very low	29.3	Very low	126 Å²	126	134.8 Å²	134.8	76%	0.764	79%	0.793	S	S	*	*			trans	-92.6	133.5	174.8	174.9	0	0	0	0	108.7
17	E	26.4	Very low	29.4	Very low	198 Å²	198	131.4 Å²	131.4	93%	0.925	79%	0.786	S	S	*	*			trans	-156.3	138.1	150.4	-117.1	176.5	-169.6	0	0	110.8
18	A	26.6	Very low	29.3	Very low	88 Å²	88	128.9 Å²	128.9	73%	0.727	78%	0.778	S	S	*	*			trans	-105	-170.5	-177.6	0	0	0	0	0	111.1
19	P	39.4	Very low	29.7	Very low	123 Å²	123	130.1 Å²	130.1	80%	0.799	78%	0.778	S	S	*	*				-107.2	159.1	-99.5	35.2	-20.2	0	0	0	113.7
20	I	26.9	Very low	30.4	Very low	171 Å²	171	132 Å²	132	88%	0.877	78%	0.781	S	S	*	*			trans	-131.4	132.9	166	-57.1	178.2	0	0	0	110
21	S	28.7	Very low	31.2	Very low	99 Å²	99	129.8 Å²	129.8	69%	0.692	78%	0.784	S	S	*	*			trans	-75.9	161.5	-175.9	56.2	0	0	0	0	114.9
22	S	29	Very low	32.8	Very low	111 Å²	111	125.9 Å²	125.9	78%	0.776	78%	0.782	S	S	*	*			trans	76.6	110.6	151.1	71	0	0	0	0	119.7
23	S	27.4	Very low	35.5	Very low	109 Å²	109	125.5 Å²	125.5	76%	0.762	78%	0.779	S	S	*	*				-170.6	119.2	111.6	61	0	0	0	0	112.4
24	S	27.9	Very low	38.4	Very low	103 Å²	103	126.1 Å²	126.1	72%	0.72	77%	0.768	S	S	*	*			trans	48.6	98.7	140.1	56.4	0	0	0	0	120.5
25	T	33	Very low	41.7	Very low	119 Å²	119	120 Å²	120	73%	0.73	74%	0.735	S	S	*	*				6.7	113.1	126.8	51.2	0	0	0	0	118.5
26	E	28.2	Very low	44.9	Very low	199 Å²	199	117.8 Å²	117.8	93%	0.93	72%	0.722	S	S	*	*			trans	-114	99.8	135	-76.1	-166.6	161.6	0	0	107.5	D28	E26-D28 PolarHBondContact O-N 2.97Å
27	T	32.1	Very low	48	Very low	118 Å²	118	112.4 Å²	112.4	72%	0.724	69%	0.689	S	S	*	*			trans	-83.6	109.1	173.1	45.5	0	0	0	0	109
28	D	29.1	Very low	51.4	Low	134 Å²	134	105.6 Å²	105.6	72%	0.717	66%	0.661	S	S	*	*			trans	-68.4	121.7	166.8	-159.7	-2.3	0	0	0	109.4	E26 T30	E26-D28 PolarHBondContact O-N 2.97Å; D28-T30 VanDerWaalsContact C-N 3.25Å; D28-T30 PolarHBondContact O-N 3.27Å
29	P	38	Very low	54.8	Low	123 Å²	123	101.4 Å²	101.4	80%	0.799	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	35.9	-165.1	33.8	-36.1	0	0	0	114.7
30	T	43.5	Very low	57.6	Low	119 Å²	119	95.5 Å²	95.5	73%	0.73	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.9	15.3	-177.7	52.6	0	0	0	0	117.1	D28 G32	D28-T30 VanDerWaalsContact C-N 3.25Å; D28-T30 PolarHBondContact O-N 3.27Å; T30-G32 PolarHBondContact O-N 3.4Å
31	S	46.8	Very low	60.9	Low	119 Å²	119	87.4 Å²	87.4	83%	0.832	55%	0.546	S	S	*	.			trans	-90.1	86.3	172.2	-155.7	0	0	0	0	111.3
32	G	62.3	Low	64.1	Low	59 Å²	59	84.2 Å²	84.2	61%	0.608	52%	0.523	S	S	*	.			trans	-65.5	132.1	166.1	0	0	0	0	0	109.7	T30 I34	T30-G32 PolarHBondContact O-N 3.4Å; G32-I34 PolarHBondContact O-N 2.7Å
33	T	83.3	Confident	67.2	Low	121 Å²	121	79.3 Å²	79.3	74%	0.742	49%	0.488	S	S	*	.			trans	-53.1	123.1	178.2	-52.5	0	0	0	0	110.7	I35	T33-I35 HydrophobicContact CG2-CG2 4.16Å; T33-I35 PolarHBondContact O-N 2.85Å
34	I	91.3	Very high	70.3	Confident	111 Å²	111	74.9 Å²	74.9	57%	0.569	46%	0.457	S	S	*	.			trans	-72.1	114.8	174.7	-59.7	176.3	0	0	0	107.8	G32 T77 T78	G32-I34 PolarHBondContact O-N 2.7Å; I34-T77 HydrophobicContact CG2-CG2 4.18Å; I34-T78 WeakPolarHBondContact CA-OG1 3.37Å
35	I	94.9	Very high	73.4	Confident	29 Å²	29	72.3 Å²	72.3	15%	0.149	44%	0.437	C	S	.	.			trans	-113.9	146.8	177.4	61.2	175.2	0	0	0	109.9	T33 V37 T77 T78 N127 E130 V131	T33-I35 HydrophobicContact CG2-CG2 4.16Å; T33-I35 PolarHBondContact O-N 2.85Å; I35-V37 HydrophobicContact CD1-CG1 4.3Å; I35-V37 HydrophobicContact CG1-CG1 4.44Å; I35-T77 WeakPolarHBondContact O-CA 3.18Å; I35-T78 HydrophobicContact CD1-CG2 4.13Å; I35-T78 HydrophobicContact CG1-CG2 3.41Å; I35-T78 VanDerWaalsContact CG1-CG2 3.41Å; I35-T78 PolarHBondContact N-OG1 3.37Å; I35-T78 PolarHBondContact O-N 3.48Å; I35-T78 VanDerWaalsContact O-N 3.14Å; I35-N127 HydrophobicContact CD1-CB 3.92Å; I35-E130 HydrophobicContact CD1-CB 4.31Å; I35-E130 HydrophobicContact CD1-CG 4.37Å; I35-V131 HydrophobicContact CD1-CG2 4.29Å
36	T	96.4	Very high	76.2	Confident	95 Å²	95	67.8 Å²	67.8	58%	0.583	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	129.6	173.8	-57.2	0	0	0	0	109.3	P75 I76	T36-P75 HydrophobicContact CG2-CB 4.29Å; T36-I76 CarbonylContact C-O 3.55Å; T36-I76 WeakPolarHBondContact CA-O 3.4Å
37	V	97	Very high	79.4	Confident	12 Å²	12	58.4 Å²	58.4	7%	0.073	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	158.2	177	-64.1	0	0	0	0	110.8	I35 P75 I76 V95 N127 V131	I35-V37 HydrophobicContact CD1-CG1 4.3Å; I35-V37 HydrophobicContact CG1-CG1 4.44Å; V37-P75 CarbonylContact O-C 3.6Å; V37-P75 WeakPolarHBondContact O-CA 3.46Å; V37-I76 HydrophobicContact CG2-CD1 4.34Å; V37-I76 HydrophobicContact CG2-CG1 3.82Å; V37-I76 PolarHBondContact N-O 2.58Å; V37-I76 PolarHBondContact O-N 2.88Å; V37-V95 HydrophobicContact CB-CG2 3.99Å; V37-V95 HydrophobicContact CG1-CG2 4.46Å; V37-V95 HydrophobicContact CG2-CG2 4.02Å; V37-N127 HydrophobicContact CG1-CB 3.98Å; V37-V131 HydrophobicContact CB-CG2 4.32Å; V37-V131 HydrophobicContact CG1-CG2 3.8Å; V37-V131 HydrophobicContact CG2-CG1 4.5Å; V37-V131 HydrophobicContact CG2-CG2 3.71Å
38	T	98.1	Very high	82.4	Confident	55 Å²	55	53.2 Å²	53.2	34%	0.337	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.8	170.7	-58.6	0	0	0	0	109.8	V96	T38-V96 HydrophobicContact CG2-CB 4.34Å; T38-V96 HydrophobicContact CG2-CG2 3.89Å; T38-V96 PolarHBondContact O-N 3.1Å
39	V	98	Very high	85.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.7	167.8	167.9	0	0	0	0	108.9	Y73 F74 I76 V84 L93 F94 L269	V39-Y73 WeakPolarHBondContact O-CA 3.38Å; V39-F74 HydrophobicContact CB-CE2 4.1Å; V39-F74 HydrophobicContact CB-CZ 4.18Å; V39-F74 HydrophobicContact CG1-CE1 4.28Å; V39-F74 HydrophobicContact CG1-CE2 4.19Å; V39-F74 HydrophobicContact CG1-CZ 3.8Å; V39-F74 PolarHBondContact N-O 3.23Å; V39-F74 PolarHBondContact O-N 3.09Å; V39-I76 HydrophobicContact CG2-CD1 3.48Å; V39-I76 VanDerWaalsContact CG2-CD1 3.48Å; V39-I76 HydrophobicContact CG2-CG1 3.74Å; V39-V84 HydrophobicContact CG1-CG1 4.09Å; V39-L93 HydrophobicContact CG1-CD2 4.21Å; V39-F94 CarbonylContact C-O 3.43Å; V39-F94 WeakPolarHBondContact CA-O 3.43Å; V39-L269 HydrophobicContact CG2-CD1 4.39Å
40	G	97.3	Very high	88.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.2	164.4	0	0	0	0	0	110.3	I72 F94	G40-I72 WeakPolarHBondContact CA-O 3.33Å; G40-F94 VanDerWaalsContact C-CE1 3.49Å; G40-F94 PolarHBondContact N-O 2.91Å; G40-F94 VanDerWaalsContact O-CD1 3.23Å; G40-F94 WeakPolarHBondContact O-CD1 3.28Å; G40-F94 PolarHBondContact O-N 3.44Å; G40-F94 VanDerWaalsContact O-O 3.09Å
41	A	97.3	Very high	90.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.7	176.1	0	0	0	0	0	110.9	R71 I72 F74 V90 N92 L93	A41-R71 VanDerWaalsContact O-CA 3.24Å; A41-R71 WeakPolarHBondContact O-CA 3.47Å; A41-I72 HydrophobicContact CB-CG1 3.93Å; A41-I72 PolarHBondContact N-O 3.38Å; A41-I72 PolarHBondContact O-N 3.25Å; A41-F74 HydrophobicContact CB-CE1 4.23Å; A41-V90 HydrophobicContact CB-CB 4.08Å; A41-V90 HydrophobicContact CB-CG1 3.61Å; A41-N92 CarbonylContact C-O 3.57Å; A41-N92 VanDerWaalsContact CA-O 3.24Å; A41-N92 WeakPolarHBondContact CA-O 3.44Å; A41-L93 HydrophobicContact CB-CD2 3.73Å
42	T	95.3	Very high	93.2	Very high	33 Å²	33	35.5 Å²	35.5	20%	0.202	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	141.1	168.4	65.5	0	0	0	0	109.5	G70 R71 V90 D91 N92	T42-G70 CarbonylContact C-O 3.59Å; T42-G70 VanDerWaalsContact CA-O 3.27Å; T42-G70 WeakPolarHBondContact CA-O 3.38Å; T42-R71 HydrophobicContact CG2-CG 4.36Å; T42-V90 CarbonylContact O-C 3.44Å; T42-V90 WeakPolarHBondContact O-CA 3.44Å; T42-D91 PolarHBondContact O-N 3.38Å; T42-D91 WeakPolarHBondContact OG1-CB 3.49Å; T42-N92 PolarHBondContact N-O 2.91Å; T42-N92 WeakPolarHBondContact OG1-CB 3.46Å; T42-N92 PolarHBondContact OG1-N 3.33Å; T42-N92 PolarHBondContact OG1-ND2 3.17Å; T42-N92 VanDerWaalsContact OG1-ND2 3.09Å
43	V	95.1	Very high	94.8	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.042	21%	0.214	C	C	.	.			trans	-135.7	158.1	-177.2	-62.3	0	0	0	0	109.9	T45 E48 A51 G70 I72 V90	V43-T45 PolarHBondContact O-N 3.11Å; V43-E48 HydrophobicContact CG2-CB 4.19Å; V43-E48 HydrophobicContact CG2-CG 3.67Å; V43-A51 HydrophobicContact CB-CB 4.33Å; V43-A51 HydrophobicContact CG1-CB 3.54Å; V43-G70 PolarHBondContact N-O 3.44Å; V43-G70 WeakPolarHBondContact O-CA 3.47Å; V43-I72 HydrophobicContact CG1-CD1 4.45Å; V43-I72 HydrophobicContact CG1-CG1 4.24Å; V43-V90 HydrophobicContact CG1-CB 4.46Å; V43-V90 HydrophobicContact CG1-CG1 3.88Å
44	P	92.7	Very high	95.5	Very high	17 Å²	17	31.5 Å²	31.5	11%	0.11	18%	0.179	C	C	.	.			trans	-55.9	126	168.9	-23.5	34.2	0	0	0	110.5	G46 F47 S89	P44-G46 PolarHBondContact O-N 3.15Å; P44-F47 HydrophobicContact CB-CD2 4.2Å; P44-F47 WeakPolarHBondContact O-CB 3.41Å; P44-F47 PolarHBondContact O-N 3.44Å; P44-S89 WeakPolarHBondContact CD-O 3.49Å
45	T	91.1	Very high	95.8	Very high	48 Å²	48	26.2 Å²	26.2	29%	0.294	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	133.9	177.9	-50.7	0	0	0	0	110.7	V43 F47 V452	V43-T45 PolarHBondContact O-N 3.11Å; T45-F47 VanDerWaalsContact C-N 3.35Å; T45-V452 WeakPolarHBondContact O-CA 3.43Å; T45-V452 WeakPolarHBondContact O-CG1 3.34Å
46	G	92.4	Very high	95.9	Very high	24 Å²	24	30.3 Å²	30.3	25%	0.247	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-16.4	-176.1	0	0	0	0	0	114.2	P44 E48 V450	P44-G46 PolarHBondContact O-N 3.15Å; G46-E48 WeakPolarHBondContact CA-OE2 3.4Å; G46-E48 PolarHBondContact N-OE1 3.38Å; G46-E48 PolarHBondContact N-OE2 3.28Å; G46-V450 WeakPolarHBondContact O-CG1 3.34Å
47	F	95.1	Very high	95.9	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.013	17%	0.169	C	C	.	.			trans	-105.9	16	178.7	-73.7	-77.7	0	0	0	113.7	P44 T45 H49 T50 A51 L291 G294 M295 L298 V450 V452 V461	P44-F47 HydrophobicContact CB-CD2 4.2Å; P44-F47 WeakPolarHBondContact O-CB 3.41Å; P44-F47 PolarHBondContact O-N 3.44Å; T45-F47 VanDerWaalsContact C-N 3.35Å; F47-H49 VanDerWaalsContact C-N 3.31Å; F47-H49 PolarHBondContact O-N 3.38Å; F47-T50 HydrophobicContact CD1-CG2 4.45Å; F47-T50 WeakPolarHBondContact O-CB 3.32Å; F47-T50 PolarHBondContact O-N 3.32Å; F47-T50 VanDerWaalsContact O-N 3.17Å; F47-A51 PolarHBondContact O-N 2.98Å; F47-L291 HydrophobicContact CD2-CD1 3.93Å; F47-L291 HydrophobicContact CE2-CD1 3.34Å; F47-L291 HydrophobicContact CZ-CD1 4.21Å; F47-G294 WeakPolarHBondContact CE1-O 3.44Å; F47-M295 HydrophobicContact CZ-CG 4.08Å; F47-L298 HydrophobicContact CE1-CD1 3.51Å; F47-L298 HydrophobicContact CE1-CD2 4.4Å; F47-L298 HydrophobicContact CE1-CG 3.77Å; F47-L298 HydrophobicContact CZ-CD1 3.8Å; F47-V450 HydrophobicContact CD2-CG1 4.49Å; F47-V450 HydrophobicContact CE2-CG1 4.32Å; F47-V450 HydrophobicContact CZ-CG1 4.42Å; F47-V452 HydrophobicContact CD2-CG1 3.97Å; F47-V452 HydrophobicContact CE2-CG1 3.54Å; F47-V461 HydrophobicContact CE2-CG2 4.29Å; F47-V461 HydrophobicContact CZ-CG1 4.4Å; F47-V461 HydrophobicContact CZ-CG2 4.22Å
48	E	95.6	Very high	95.8	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-40.9	-179.4	-57.2	77.7	176.8	0	0	112.2	V43 G46 A51 A52 V65 G70 I72	V43-E48 HydrophobicContact CG2-CB 4.19Å; V43-E48 HydrophobicContact CG2-CG 3.67Å; G46-E48 WeakPolarHBondContact CA-OE2 3.4Å; G46-E48 PolarHBondContact N-OE1 3.38Å; G46-E48 PolarHBondContact N-OE2 3.28Å; E48-A51 PolarHBondContact O-N 2.84Å; E48-A52 PolarHBondContact O-N 2.79Å; E48-V65 HydrophobicContact CB-CG1 3.45Å; E48-V65 VanDerWaalsContact CB-CG1 3.45Å; E48-V65 HydrophobicContact CG-CG1 4.21Å; E48-G70 WeakPolarHBondContact OE1-CA 3.34Å; E48-G70 PolarHBondContact OE1-N 3.4Å; E48-G70 VanDerWaalsContact OE1-N 3.1Å; E48-I72 HydrophobicContact CB-CG2 4.09Å
49	H	94.8	Very high	95.7	Very high	95 Å²	95	31.9 Å²	31.9	44%	0.44	16%	0.164	S	C	.	.	H	α-helix	trans	-65.9	-41.6	175.8	-76.6	-66	0	0	0	112.2	F47 A51 A52 E53 K67	F47-H49 VanDerWaalsContact C-N 3.31Å; F47-H49 PolarHBondContact O-N 3.38Å; H49-A51 VanDerWaalsContact C-N 3.27Å; H49-A51 PolarHBondContact O-N 2.68Å; H49-A52 PolarHBondContact O-N 3.26Å; H49-E53 WeakPolarHBondContact O-CG 3.11Å; H49-E53 PolarHBondContact O-N 3.2Å; H49-K67 WeakPolarHBondContact NE2-CE 3.42Å; H49-K67 PolarHBondContact NE2-NZ 2.86Å
50	T	95.1	Very high	95.7	Very high	13 Å²	13	34.7 Å²	34.7	8%	0.08	19%	0.193	C	C	.	.	H	α-helix	trans	-61.4	-38.3	175	-58.1	0	0	0	0	111.7	F47 E53 E54 R297	F47-T50 HydrophobicContact CD1-CG2 4.45Å; F47-T50 WeakPolarHBondContact O-CB 3.32Å; F47-T50 PolarHBondContact O-N 3.32Å; F47-T50 VanDerWaalsContact O-N 3.17Å; T50-E53 PolarHBondContact O-N 2.73Å; T50-E54 PolarHBondContact O-N 2.9Å; T50-E54 VanDerWaalsContact O-N 3.09Å; T50-R297 HydrophobicContact CG2-CB 3.43Å; T50-R297 VanDerWaalsContact CG2-CB 3.43Å; T50-R297 HydrophobicContact CG2-CG 3.77Å
51	A	96.7	Very high	95.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.5	-39.8	175.6	0	0	0	0	0	112.5	V43 F47 E48 H49 E53 E54 V55 I72 S89	V43-A51 HydrophobicContact CB-CB 4.33Å; V43-A51 HydrophobicContact CG1-CB 3.54Å; F47-A51 PolarHBondContact O-N 2.98Å; E48-A51 PolarHBondContact O-N 2.84Å; H49-A51 VanDerWaalsContact C-N 3.27Å; H49-A51 PolarHBondContact O-N 2.68Å; A51-E53 VanDerWaalsContact C-N 3.33Å; A51-E53 PolarHBondContact O-N 2.83Å; A51-E54 PolarHBondContact O-N 3.25Å; A51-V55 WeakPolarHBondContact O-CG2 3.25Å; A51-V55 PolarHBondContact O-N 3.27Å; A51-I72 HydrophobicContact CB-CD1 3.74Å; A51-I72 HydrophobicContact CB-CG2 4.44Å; A51-S89 VanDerWaalsContact CA-OG 3.23Å; A51-S89 WeakPolarHBondContact CA-OG 3.29Å; A51-S89 WeakPolarHBondContact CB-OG 3.43Å
52	A	97.1	Very high	95.7	Very high	15 Å²	15	41.6 Å²	41.6	12%	0.124	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-39.4	174.2	0	0	0	0	0	112.3	E48 H49 V55 K56 A63 V65	E48-A52 PolarHBondContact O-N 2.79Å; H49-A52 PolarHBondContact O-N 3.26Å; A52-V55 PolarHBondContact O-N 3.05Å; A52-K56 WeakPolarHBondContact O-CB 3.25Å; A52-K56 PolarHBondContact O-N 3.23Å; A52-A63 HydrophobicContact CB-CB 3.89Å; A52-V65 HydrophobicContact CB-CG2 3.73Å
53	E	96.9	Very high	95.8	Very high	96 Å²	96	41 Å²	41	45%	0.449	23%	0.229	S	C	.	.	H	α-helix	trans	-63.3	-43.1	173.2	-68.7	172.6	179.2	0	0	112	H49 T50 A51 V55 K56 E57 R297	H49-E53 WeakPolarHBondContact O-CG 3.11Å; H49-E53 PolarHBondContact O-N 3.2Å; T50-E53 PolarHBondContact O-N 2.73Å; A51-E53 VanDerWaalsContact C-N 3.33Å; A51-E53 PolarHBondContact O-N 2.83Å; E53-V55 VanDerWaalsContact C-N 3.33Å; E53-V55 PolarHBondContact O-N 2.86Å; E53-K56 PolarHBondContact O-N 3.4Å; E53-E57 WeakPolarHBondContact O-CB 3.17Å; E53-E57 PolarHBondContact O-N 2.9Å; E53-R297 VanDerWaalsContact CB-NH2 3.27Å; E53-R297 IonicContact OE2-NH2 2.75Å; E53-R297 PolarHBondContact OE2-NH2 3.05Å; E53-R297 VanDerWaalsContact OE2-NH2 3.12Å
54	E	97.5	Very high	95.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-42.3	176.1	-175.4	-174.3	-162.9	0	0	111.3	T50 A51 E57 K58 L87 R88 S89 Y293	T50-E54 PolarHBondContact O-N 2.9Å; T50-E54 VanDerWaalsContact O-N 3.09Å; A51-E54 PolarHBondContact O-N 3.25Å; E54-E57 PolarHBondContact O-N 3.15Å; E54-K58 HydrophobicContact CG-CD 3.77Å; E54-K58 HydrophobicContact CG-CG 4.23Å; E54-K58 WeakPolarHBondContact O-CB 3.12Å; E54-K58 PolarHBondContact O-N 3.01Å; E54-K58 WeakPolarHBondContact OE1-CE 3.38Å; E54-K58 IonicContact OE1-NZ 3.5Å; E54-K58 PolarHBondContact OE1-NZ 3.17Å; E54-L87 HydrophobicContact CG-CD2 3.81Å; E54-L87 WeakPolarHBondContact OE1-CA 3.43Å; E54-R88 PolarHBondContact OE1-N 3.47Å; E54-R88 PolarHBondContact OE2-N 2.9Å; E54-R88 VanDerWaalsContact OE2-N 3.11Å; E54-S89 WeakPolarHBondContact OE2-CB 3.34Å; E54-S89 PolarHBondContact OE2-N 3.35Å; E54-S89 PolarHBondContact OE2-OG 3.31Å; E54-Y293 HydrophobicContact CG-CE1 4.36Å; E54-Y293 PolarHBondContact OE1-OH 2.85Å; E54-Y293 WeakPolarHBondContact OE2-CE1 3.35Å
55	V	97.8	Very high	95.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-45.4	175.8	166.9	0	0	0	0	110.9	A51 A52 E53 E57 I59 G60 V61 A63 I72 F74 L87	A51-V55 WeakPolarHBondContact O-CG2 3.25Å; A51-V55 PolarHBondContact O-N 3.27Å; A52-V55 PolarHBondContact O-N 3.05Å; E53-V55 VanDerWaalsContact C-N 3.33Å; E53-V55 PolarHBondContact O-N 2.86Å; V55-E57 VanDerWaalsContact C-N 3.32Å; V55-E57 PolarHBondContact O-N 2.74Å; V55-I59 HydrophobicContact CG1-CD1 4.31Å; V55-I59 WeakPolarHBondContact O-CA 3.33Å; V55-I59 VanDerWaalsContact O-CB 3.28Å; V55-I59 WeakPolarHBondContact O-CB 3.46Å; V55-I59 PolarHBondContact O-N 3.5Å; V55-G60 PolarHBondContact O-N 3.35Å; V55-V61 HydrophobicContact CG1-CG2 3.62Å; V55-A63 HydrophobicContact CB-CB 4.42Å; V55-A63 HydrophobicContact CG1-CB 4.21Å; V55-I72 HydrophobicContact CG2-CD1 3.79Å; V55-F74 HydrophobicContact CG1-CB 3.95Å; V55-F74 HydrophobicContact CG1-CD1 4.03Å; V55-F74 HydrophobicContact CG1-CD2 3.78Å; V55-F74 HydrophobicContact CG1-CE1 4.49Å; V55-F74 HydrophobicContact CG1-CE2 4.27Å; V55-F74 HydrophobicContact CG1-CG 3.66Å; V55-F74 HydrophobicContact CG2-CD1 3.93Å; V55-F74 HydrophobicContact CG2-CE1 3.73Å; V55-F74 HydrophobicContact CG2-CE2 4.39Å; V55-F74 HydrophobicContact CG2-CG 4.36Å; V55-F74 HydrophobicContact CG2-CZ 3.97Å; V55-L87 HydrophobicContact CG2-CD1 3.92Å; V55-L87 HydrophobicContact CG2-CD2 4.17Å
56	K	97.4	Very high	95.5	Very high	116 Å²	116	45 Å²	45	50%	0.504	24%	0.242	S	C	.	.	H	α-helix	trans	-60.5	-43	177.2	-173.6	169.8	-171.3	141.4	0	112	A52 E53 G60 V61 D62	A52-K56 WeakPolarHBondContact O-CB 3.25Å; A52-K56 PolarHBondContact O-N 3.23Å; E53-K56 PolarHBondContact O-N 3.4Å; K56-G60 WeakPolarHBondContact O-CA 3.49Å; K56-G60 PolarHBondContact O-N 2.97Å; K56-G60 VanDerWaalsContact O-N 3.13Å; K56-V61 VanDerWaalsContact CA-O 3.3Å; K56-V61 WeakPolarHBondContact CA-O 3.34Å; K56-D62 IonicContact NZ-OD1 2.95Å; K56-D62 PolarHBondContact NZ-OD1 2.93Å; K56-D62 IonicContact NZ-OD2 2.89Å
57	E	95.9	Very high	94.1	Very high	128 Å²	128	50 Å²	50	60%	0.598	26%	0.256	S	S	*	.	H	α-helix	trans	-69.7	-47.5	-179.6	-175.1	-176	149.3	0	0	112.8	E53 E54 V55 R297	E53-E57 WeakPolarHBondContact O-CB 3.17Å; E53-E57 PolarHBondContact O-N 2.9Å; E54-E57 PolarHBondContact O-N 3.15Å; V55-E57 VanDerWaalsContact C-N 3.32Å; V55-E57 PolarHBondContact O-N 2.74Å; E57-R297 IonicContact OE2-CZ 3.14Å; E57-R297 IonicContact OE2-NH1 2.58Å; E57-R297 PolarHBondContact OE2-NH1 3.2Å; E57-R297 IonicContact OE2-NH2 3.88Å
58	K	95.4	Very high	92.7	Very high	62 Å²	62	56.6 Å²	56.6	27%	0.27	29%	0.292	S	S	.	.	H	α-helix	trans	-88.5	-29	-171.7	-66.7	-173.3	177.4	173.7	0	114.1	E54 Q83 L87 E324	E54-K58 HydrophobicContact CG-CD 3.77Å; E54-K58 HydrophobicContact CG-CG 4.23Å; E54-K58 WeakPolarHBondContact O-CB 3.12Å; E54-K58 PolarHBondContact O-N 3.01Å; E54-K58 WeakPolarHBondContact OE1-CE 3.38Å; E54-K58 IonicContact OE1-NZ 3.5Å; E54-K58 PolarHBondContact OE1-NZ 3.17Å; K58-Q83 PolarHBondContact O-OE1 3.47Å; K58-L87 HydrophobicContact CB-CD2 4.43Å; K58-L87 HydrophobicContact CD-CD2 4.32Å; K58-E324 IonicContact NZ-OE1 3.24Å; K58-E324 PolarHBondContact NZ-OE1 2.89Å
59	I	96.3	Very high	91.6	Very high	5 Å²	5	60 Å²	60	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-110.9	-28.8	-174.5	-55.3	178.8	0	0	0	111.4	V55 V61 F74 I76 K80 Q83 V84 L87	V55-I59 HydrophobicContact CG1-CD1 4.31Å; V55-I59 WeakPolarHBondContact O-CA 3.33Å; V55-I59 VanDerWaalsContact O-CB 3.28Å; V55-I59 WeakPolarHBondContact O-CB 3.46Å; V55-I59 PolarHBondContact O-N 3.5Å; I59-V61 HydrophobicContact CB-CG2 4.23Å; I59-V61 HydrophobicContact CG2-CG1 4.36Å; I59-V61 HydrophobicContact CG2-CG2 3.85Å; I59-F74 HydrophobicContact CD1-CD2 4.3Å; I59-F74 HydrophobicContact CD1-CE2 3.67Å; I59-F74 HydrophobicContact CD1-CZ 4.34Å; I59-I76 HydrophobicContact CG2-CG2 4.26Å; I59-K80 HydrophobicContact CG2-CD 4.2Å; I59-K80 PolarHBondContact O-NZ 2.97Å; I59-Q83 HydrophobicContact CG1-CB 4.39Å; I59-V84 HydrophobicContact CD1-CG2 4.17Å; I59-L87 HydrophobicContact CD1-CD1 4.11Å; I59-L87 HydrophobicContact CD1-CD2 4.3Å; I59-L87 HydrophobicContact CD1-CG 4.45Å
60	G	96.5	Very high	91.3	Very high	59 Å²	59	55.8 Å²	55.8	61%	0.608	29%	0.286	S	S	*	.			trans	86.2	24.2	179.3	0	0	0	0	0	114.3	V55 K56	V55-G60 PolarHBondContact O-N 3.35Å; K56-G60 WeakPolarHBondContact O-CA 3.49Å; K56-G60 PolarHBondContact O-N 2.97Å; K56-G60 VanDerWaalsContact O-N 3.13Å
61	V	97.1	Very high	91.2	Very high	32 Å²	32	57 Å²	57	19%	0.194	29%	0.29	C	S	.	.			trans	-127.8	149.5	-178.2	-60.4	0	0	0	0	111.2	V55 K56 I59 F74 P75	V55-V61 HydrophobicContact CG1-CG2 3.62Å; K56-V61 VanDerWaalsContact CA-O 3.3Å; K56-V61 WeakPolarHBondContact CA-O 3.34Å; I59-V61 HydrophobicContact CB-CG2 4.23Å; I59-V61 HydrophobicContact CG2-CG1 4.36Å; I59-V61 HydrophobicContact CG2-CG2 3.85Å; V61-F74 HydrophobicContact CG2-CB 4.04Å; V61-F74 HydrophobicContact CG2-CD2 4.19Å; V61-P75 HydrophobicContact CB-CG 4.48Å; V61-P75 WeakPolarHBondContact CG2-O 3.4Å
62	D	97.3	Very high	91.2	Very high	112 Å²	112	57 Å²	57	60%	0.599	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-79.1	135.4	172.5	-70.1	-57.7	0	0	0	110.6	K56	K56-D62 IonicContact NZ-OD1 2.95Å; K56-D62 PolarHBondContact NZ-OD1 2.93Å; K56-D62 IonicContact NZ-OD2 2.89Å
63	A	97.2	Very high	91.2	Very high	20 Å²	20	56.8 Å²	56.8	17%	0.165	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-101.3	131.8	176.7	0	0	0	0	0	111.1	A52 V55 V65 I72 Y73 F74	A52-A63 HydrophobicContact CB-CB 3.89Å; V55-A63 HydrophobicContact CB-CB 4.42Å; V55-A63 HydrophobicContact CG1-CB 4.21Å; A63-V65 PolarHBondContact O-N 3.32Å; A63-I72 HydrophobicContact CB-CB 4.45Å; A63-I72 HydrophobicContact CB-CD1 4.48Å; A63-Y73 CarbonylContact C-O 3.59Å; A63-Y73 WeakPolarHBondContact CA-O 3.35Å; A63-F74 HydrophobicContact CB-CB 3.92Å; A63-F74 HydrophobicContact CB-CD1 4.27Å; A63-F74 HydrophobicContact CB-CG 4.49Å
64	R	95.3	Very high	91.2	Very high	110 Å²	110	52.3 Å²	52.3	42%	0.415	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	120.5	166.9	-175.9	177.7	62.1	139.6	6.9	108.7	I72 Y73 E99 D101	R64-I72 CarbonylContact O-C 3.48Å; R64-I72 WeakPolarHBondContact O-CA 3.43Å; R64-Y73 PolarHBondContact N-O 3.35Å; R64-Y73 PolarHBondContact O-N 3Å; R64-E99 IonicContact CZ-OE1 2.68Å; R64-E99 IonicContact CZ-OE2 3.29Å; R64-E99 IonicContact NH1-OE1 3.44Å; R64-E99 PolarHBondContact NH1-OE1 3.5Å; R64-E99 IonicContact NH1-OE2 2.71Å; R64-E99 IonicContact NH2-OE1 3.57Å; R64-E99 PolarHBondContact NH2-OE1 3.21Å; R64-E99 IonicContact NH2-OE2 2.91Å; R64-E99 PolarHBondContact NH2-OE2 2.85Å; R64-D101 IonicContact NH1-OD1 3.6Å
65	V	93.2	Very high	91.2	Very high	35 Å²	35	55 Å²	55	21%	0.212	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.1	179.4	172.2	0	0	0	0	110.1	E48 A52 A63 K67 I72	E48-V65 HydrophobicContact CB-CG1 3.45Å; E48-V65 VanDerWaalsContact CB-CG1 3.45Å; E48-V65 HydrophobicContact CG-CG1 4.21Å; A52-V65 HydrophobicContact CB-CG2 3.73Å; A63-V65 PolarHBondContact O-N 3.32Å; V65-K67 HydrophobicContact CG1-CG 3.68Å; V65-K67 PolarHBondContact O-N 3.29Å; V65-I72 HydrophobicContact CG2-CG2 4.14Å
66	S	84.9	Confident	91.2	Very high	13 Å²	13	55.2 Å²	55.2	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	88.6	167.8	-167	0	0	0	0	108.5	R69 R71	S66-R69 WeakPolarHBondContact O-CB 3.49Å; S66-R69 PolarHBondContact O-N 3.23Å; S66-R69 WeakPolarHBondContact OG-CD 3.39Å; S66-R69 WeakPolarHBondContact OG-CG 2.97Å; S66-R69 PolarHBondContact OG-NH1 2.75Å; S66-R71 PolarHBondContact N-O 3.46Å
67	K	62.9	Low	91.1	Very high	128 Å²	128	51.5 Å²	51.5	56%	0.557	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	142.5	-172.7	-64.1	-170.1	-170.7	-161.4	0	111.4	H49 V65 R69	H49-K67 WeakPolarHBondContact NE2-CE 3.42Å; H49-K67 PolarHBondContact NE2-NZ 2.86Å; V65-K67 HydrophobicContact CG1-CG 3.68Å; V65-K67 PolarHBondContact O-N 3.29Å; K67-R69 VanDerWaalsContact O-CG 3.31Å; K67-R69 WeakPolarHBondContact O-CG 3.47Å; K67-R69 PolarHBondContact O-N 2.9Å
68	D	65.3	Low	91.1	Very high	141 Å²	141	46.4 Å²	46.4	75%	0.754	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	-1.1	-177.9	-54.1	-53.7	0	0	0	115.3
69	R	72.5	Confident	90.9	Very high	80 Å²	80	47.3 Å²	47.3	30%	0.302	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-5.3	-179.6	-46.8	-152.7	-172.2	130.3	-14.8	112.9	S66 K67 R71 H259 E262	S66-R69 WeakPolarHBondContact O-CB 3.49Å; S66-R69 PolarHBondContact O-N 3.23Å; S66-R69 WeakPolarHBondContact OG-CD 3.39Å; S66-R69 WeakPolarHBondContact OG-CG 2.97Å; S66-R69 PolarHBondContact OG-NH1 2.75Å; K67-R69 VanDerWaalsContact O-CG 3.31Å; K67-R69 WeakPolarHBondContact O-CG 3.47Å; K67-R69 PolarHBondContact O-N 2.9Å; R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 PolarHBondContact O-N 2.87Å; R69-H259 PolarHBondContact NE-CE1 2.82Å; R69-E262 IonicContact CZ-OE1 2.89Å; R69-E262 IonicContact CZ-OE2 2.86Å; R69-E262 VanDerWaalsContact CZ-OE2 3.24Å; R69-E262 IonicContact NH1-OE1 3.78Å; R69-E262 PolarHBondContact NH1-OE1 3.36Å; R69-E262 IonicContact NH1-OE2 2.73Å; R69-E262 PolarHBondContact NH1-OE2 2.75Å; R69-E262 IonicContact NH2-OE1 3.01Å; R69-E262 PolarHBondContact NH2-OE1 2.89Å; R69-E262 IonicContact NH2-OE2 3.2Å
70	G	88.5	Confident	90.8	Very high	6 Å²	6	50 Å²	50	6%	0.062	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	40.1	-175.6	0	0	0	0	0	111.8	T42 V43 E48	T42-G70 CarbonylContact C-O 3.59Å; T42-G70 VanDerWaalsContact CA-O 3.27Å; T42-G70 WeakPolarHBondContact CA-O 3.38Å; V43-G70 PolarHBondContact N-O 3.44Å; V43-G70 WeakPolarHBondContact O-CA 3.47Å; E48-G70 WeakPolarHBondContact OE1-CA 3.34Å; E48-G70 PolarHBondContact OE1-N 3.4Å; E48-G70 VanDerWaalsContact OE1-N 3.1Å
71	R	93.2	Very high	90.7	Very high	40 Å²	40	47.3 Å²	47.3	15%	0.151	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.7	179.1	-66.5	-178.4	-171.1	160.9	-0.2	113.6	A41 T42 S66 R69 Y73 N257	A41-R71 VanDerWaalsContact O-CA 3.24Å; A41-R71 WeakPolarHBondContact O-CA 3.47Å; T42-R71 HydrophobicContact CG2-CG 4.36Å; S66-R71 PolarHBondContact N-O 3.46Å; R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 PolarHBondContact O-N 2.87Å; R71-Y73 HydrophobicContact CB-CE2 4.05Å; R71-Y73 WeakPolarHBondContact CD-OH 3.4Å; R71-N257 PolarHBondContact NH2-OD1 2.91Å; R71-N257 VanDerWaalsContact NH2-OD1 3.08Å
72	I	96.6	Very high	90.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.5	169.2	63.4	168.8	0	0	0	110.1	G40 A41 V43 E48 A51 V55 A63 R64 V65 F74 V90	G40-I72 WeakPolarHBondContact CA-O 3.33Å; A41-I72 HydrophobicContact CB-CG1 3.93Å; A41-I72 PolarHBondContact N-O 3.38Å; A41-I72 PolarHBondContact O-N 3.25Å; V43-I72 HydrophobicContact CG1-CD1 4.45Å; V43-I72 HydrophobicContact CG1-CG1 4.24Å; E48-I72 HydrophobicContact CB-CG2 4.09Å; A51-I72 HydrophobicContact CB-CD1 3.74Å; A51-I72 HydrophobicContact CB-CG2 4.44Å; V55-I72 HydrophobicContact CG2-CD1 3.79Å; A63-I72 HydrophobicContact CB-CB 4.45Å; A63-I72 HydrophobicContact CB-CD1 4.48Å; R64-I72 CarbonylContact O-C 3.48Å; R64-I72 WeakPolarHBondContact O-CA 3.43Å; V65-I72 HydrophobicContact CG2-CG2 4.14Å; I72-F74 HydrophobicContact CD1-CD1 4.11Å; I72-F74 HydrophobicContact CD1-CE1 3.95Å; I72-F74 HydrophobicContact CG1-CD1 4.26Å; I72-F74 HydrophobicContact CG1-CE1 4.17Å; I72-V90 HydrophobicContact CD1-CG1 4.43Å
73	Y	97.2	Very high	90.3	Very high	10 Å²	10	47.6 Å²	47.6	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.5	179.7	-59.3	-90.5	0	0	0	109.7	V39 A63 R64 R71 F94 V96 V264	V39-Y73 WeakPolarHBondContact O-CA 3.38Å; A63-Y73 CarbonylContact C-O 3.59Å; A63-Y73 WeakPolarHBondContact CA-O 3.35Å; R64-Y73 PolarHBondContact N-O 3.35Å; R64-Y73 PolarHBondContact O-N 3Å; R71-Y73 HydrophobicContact CB-CE2 4.05Å; R71-Y73 WeakPolarHBondContact CD-OH 3.4Å; Y73-F94 HydrophobicContact CE1-CE2 4.06Å; Y73-F94 AromaticContact CE1-CZ 3.81Å; Y73-F94 HydrophobicContact CE1-CZ 3.81Å; Y73-V96 HydrophobicContact CD1-CG2 4.02Å; Y73-V96 HydrophobicContact CE1-CG2 4.25Å; Y73-V264 HydrophobicContact CE1-CG1 4.14Å
74	F	97.8	Very high	90.2	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	144.9	-178.6	51.9	-85.5	0	0	0	111.8	V39 A41 V55 I59 V61 A63 I72 I76 V84 L87	V39-F74 HydrophobicContact CB-CE2 4.1Å; V39-F74 HydrophobicContact CB-CZ 4.18Å; V39-F74 HydrophobicContact CG1-CE1 4.28Å; V39-F74 HydrophobicContact CG1-CE2 4.19Å; V39-F74 HydrophobicContact CG1-CZ 3.8Å; V39-F74 PolarHBondContact N-O 3.23Å; V39-F74 PolarHBondContact O-N 3.09Å; A41-F74 HydrophobicContact CB-CE1 4.23Å; V55-F74 HydrophobicContact CG1-CB 3.95Å; V55-F74 HydrophobicContact CG1-CD1 4.03Å; V55-F74 HydrophobicContact CG1-CD2 3.78Å; V55-F74 HydrophobicContact CG1-CE1 4.49Å; V55-F74 HydrophobicContact CG1-CE2 4.27Å; V55-F74 HydrophobicContact CG1-CG 3.66Å; V55-F74 HydrophobicContact CG2-CD1 3.93Å; V55-F74 HydrophobicContact CG2-CE1 3.73Å; V55-F74 HydrophobicContact CG2-CE2 4.39Å; V55-F74 HydrophobicContact CG2-CG 4.36Å; V55-F74 HydrophobicContact CG2-CZ 3.97Å; I59-F74 HydrophobicContact CD1-CD2 4.3Å; I59-F74 HydrophobicContact CD1-CE2 3.67Å; I59-F74 HydrophobicContact CD1-CZ 4.34Å; V61-F74 HydrophobicContact CG2-CB 4.04Å; V61-F74 HydrophobicContact CG2-CD2 4.19Å; A63-F74 HydrophobicContact CB-CB 3.92Å; A63-F74 HydrophobicContact CB-CD1 4.27Å; A63-F74 HydrophobicContact CB-CG 4.49Å; I72-F74 HydrophobicContact CD1-CD1 4.11Å; I72-F74 HydrophobicContact CD1-CE1 3.95Å; I72-F74 HydrophobicContact CG1-CD1 4.26Å; I72-F74 HydrophobicContact CG1-CE1 4.17Å; F74-I76 HydrophobicContact CD2-CG2 3.6Å; F74-I76 HydrophobicContact CE2-CG2 3.65Å; F74-V84 HydrophobicContact CE2-CG1 4.31Å; F74-V84 HydrophobicContact CE2-CG2 4.33Å; F74-V84 HydrophobicContact CZ-CG1 4Å; F74-L87 HydrophobicContact CZ-CD1 3.9Å
75	P	97.6	Very high	90.2	Very high	57 Å²	57	43.6 Å²	43.6	37%	0.37	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	141.3	175.9	31.4	-33.8	0	0	0	110.5	T36 V37 V61	T36-P75 HydrophobicContact CG2-CB 4.29Å; V37-P75 CarbonylContact O-C 3.6Å; V37-P75 WeakPolarHBondContact O-CA 3.46Å; V61-P75 HydrophobicContact CB-CG 4.48Å; V61-P75 WeakPolarHBondContact CG2-O 3.4Å
76	I	96.9	Very high	90.2	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	156.7	169.6	64.9	161.7	0	0	0	110.2	T36 V37 V39 I59 F74 L81 V84	T36-I76 CarbonylContact C-O 3.55Å; T36-I76 WeakPolarHBondContact CA-O 3.4Å; V37-I76 HydrophobicContact CG2-CD1 4.34Å; V37-I76 HydrophobicContact CG2-CG1 3.82Å; V37-I76 PolarHBondContact N-O 2.58Å; V37-I76 PolarHBondContact O-N 2.88Å; V39-I76 HydrophobicContact CG2-CD1 3.48Å; V39-I76 VanDerWaalsContact CG2-CD1 3.48Å; V39-I76 HydrophobicContact CG2-CG1 3.74Å; I59-I76 HydrophobicContact CG2-CG2 4.26Å; F74-I76 HydrophobicContact CD2-CG2 3.6Å; F74-I76 HydrophobicContact CE2-CG2 3.65Å; I76-L81 HydrophobicContact CD1-CB 4.48Å; I76-L81 HydrophobicContact CD1-CD1 3.84Å; I76-V84 HydrophobicContact CD1-CG2 3.9Å; I76-V84 HydrophobicContact CG2-CG2 4.16Å
77	T	96.2	Very high	90.8	Very high	38 Å²	38	46.7 Å²	46.7	23%	0.233	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	152.6	164.4	53.3	0	0	0	0	110.1	I34 I35 D79 K80	I34-T77 HydrophobicContact CG2-CG2 4.18Å; I35-T77 WeakPolarHBondContact O-CA 3.18Å; T77-D79 WeakPolarHBondContact CB-OD1 3.48Å; T77-D79 PolarHBondContact O-N 2.8Å; T77-D79 PolarHBondContact OG1-OD1 2.88Å; T77-K80 PolarHBondContact O-N 2.91Å
78	T	94.1	Very high	92.4	Very high	20 Å²	20	41.8 Å²	41.8	12%	0.123	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-61	-28.1	-175.3	39.2	0	0	0	0	114.5	I34 I35 K80 L81 V131 L134	I34-T78 WeakPolarHBondContact CA-OG1 3.37Å; I35-T78 HydrophobicContact CD1-CG2 4.13Å; I35-T78 HydrophobicContact CG1-CG2 3.41Å; I35-T78 VanDerWaalsContact CG1-CG2 3.41Å; I35-T78 PolarHBondContact N-OG1 3.37Å; I35-T78 PolarHBondContact O-N 3.48Å; I35-T78 VanDerWaalsContact O-N 3.14Å; T78-K80 VanDerWaalsContact C-N 3.27Å; T78-K80 PolarHBondContact O-N 2.97Å; T78-L81 WeakPolarHBondContact O-CB 3.3Å; T78-L81 PolarHBondContact O-N 2.9Å; T78-V131 HydrophobicContact CG2-CG2 3.93Å; T78-L134 HydrophobicContact CG2-CD1 3.69Å
79	D	92.6	Very high	93.9	Very high	81 Å²	81	35.2 Å²	35.2	43%	0.433	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-65.4	-28.5	173.7	63.1	-61	0	0	0	112.7	T77 F82	T77-D79 WeakPolarHBondContact CB-OD1 3.48Å; T77-D79 PolarHBondContact O-N 2.8Å; T77-D79 PolarHBondContact OG1-OD1 2.88Å; D79-F82 VanDerWaalsContact O-CD1 3.3Å; D79-F82 WeakPolarHBondContact O-CD1 3.46Å; D79-F82 VanDerWaalsContact O-CE1 3.3Å; D79-F82 WeakPolarHBondContact O-CE1 3.39Å
80	K	93.4	Very high	95.1	Very high	62 Å²	62	31.4 Å²	31.4	27%	0.27	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-90.5	0.6	177	-64.1	-172.9	178.1	-176.3	0	114	I59 T77 T78 F82 Q83	I59-K80 HydrophobicContact CG2-CD 4.2Å; I59-K80 PolarHBondContact O-NZ 2.97Å; T77-K80 PolarHBondContact O-N 2.91Å; T78-K80 VanDerWaalsContact C-N 3.27Å; T78-K80 PolarHBondContact O-N 2.97Å; K80-F82 PolarHBondContact O-N 3.49Å; K80-F82 VanDerWaalsContact O-N 3.1Å; K80-Q83 WeakPolarHBondContact O-CB 3.06Å; K80-Q83 PolarHBondContact O-N 2.77Å
81	L	94	Very high	95.4	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-54.8	-35.3	-175.8	-179.5	60.9	0	0	0	113.4	I76 T78 Q83 V84 V131 L134 N135 L138 L269	I76-L81 HydrophobicContact CD1-CB 4.48Å; I76-L81 HydrophobicContact CD1-CD1 3.84Å; T78-L81 WeakPolarHBondContact O-CB 3.3Å; T78-L81 PolarHBondContact O-N 2.9Å; L81-Q83 VanDerWaalsContact C-N 3.29Å; L81-Q83 PolarHBondContact O-N 3.22Å; L81-V84 PolarHBondContact O-N 2.78Å; L81-V131 HydrophobicContact CD1-CG1 3.88Å; L81-V131 HydrophobicContact CD2-CG1 4.14Å; L81-L134 HydrophobicContact CD2-CB 3.87Å; L81-N135 HydrophobicContact CD2-CB 4.15Å; L81-L138 HydrophobicContact CD2-CD1 4.2Å; L81-L138 HydrophobicContact CG-CD1 4.13Å; L81-L269 HydrophobicContact CD1-CD1 4.31Å
82	F	93.4	Very high	95.5	Very high	103 Å²	103	32.3 Å²	32.3	45%	0.452	16%	0.164	S	C	.	.	H	α-helix	trans	-66.4	-30.1	178.8	76	-88.6	0	0	0	113	D79 K80 V84 H85 L86 L138	D79-F82 VanDerWaalsContact O-CD1 3.3Å; D79-F82 WeakPolarHBondContact O-CD1 3.46Å; D79-F82 VanDerWaalsContact O-CE1 3.3Å; D79-F82 WeakPolarHBondContact O-CE1 3.39Å; K80-F82 PolarHBondContact O-N 3.49Å; K80-F82 VanDerWaalsContact O-N 3.1Å; F82-V84 VanDerWaalsContact C-N 3.26Å; F82-V84 PolarHBondContact O-N 2.58Å; F82-H85 PolarHBondContact O-N 3.43Å; F82-L86 HydrophobicContact CD2-CD1 4.4Å; F82-L86 HydrophobicContact CE2-CD1 4.47Å; F82-L138 HydrophobicContact CB-CD1 4.12Å; F82-L138 HydrophobicContact CB-CD2 4.45Å
83	Q	94.4	Very high	95.6	Very high	47 Å²	47	32.3 Å²	32.3	22%	0.22	16%	0.164	C	C	.	.	H	α-helix	trans	-66.9	-31.7	-178.1	-60.6	-180	0.1	0	0	111.3	K58 I59 K80 L81 H85 L86	K58-Q83 PolarHBondContact O-OE1 3.47Å; I59-Q83 HydrophobicContact CG1-CB 4.39Å; K80-Q83 WeakPolarHBondContact O-CB 3.06Å; K80-Q83 PolarHBondContact O-N 2.77Å; L81-Q83 VanDerWaalsContact C-N 3.29Å; L81-Q83 PolarHBondContact O-N 3.22Å; Q83-H85 PolarHBondContact O-N 2.91Å; Q83-L86 WeakPolarHBondContact O-CA 3.33Å; Q83-L86 VanDerWaalsContact O-CB 3.3Å; Q83-L86 WeakPolarHBondContact O-CB 3.5Å; Q83-L86 PolarHBondContact O-N 2.83Å
84	V	94.8	Very high	95.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-33.1	178.5	-167.4	0	0	0	0	111.7	V39 I59 F74 I76 L81 F82 L86 L87 L93	V39-V84 HydrophobicContact CG1-CG1 4.09Å; I59-V84 HydrophobicContact CD1-CG2 4.17Å; F74-V84 HydrophobicContact CE2-CG1 4.31Å; F74-V84 HydrophobicContact CE2-CG2 4.33Å; F74-V84 HydrophobicContact CZ-CG1 4Å; I76-V84 HydrophobicContact CD1-CG2 3.9Å; I76-V84 HydrophobicContact CG2-CG2 4.16Å; L81-V84 PolarHBondContact O-N 2.78Å; F82-V84 VanDerWaalsContact C-N 3.26Å; F82-V84 PolarHBondContact O-N 2.58Å; V84-L86 PolarHBondContact O-N 2.86Å; V84-L87 HydrophobicContact CG1-CD1 3.98Å; V84-L87 WeakPolarHBondContact O-CB 3.49Å; V84-L87 WeakPolarHBondContact O-CG 3.35Å; V84-L87 PolarHBondContact O-N 2.81Å; V84-L93 HydrophobicContact CB-CD1 4.22Å; V84-L93 HydrophobicContact CG1-CD1 3.49Å; V84-L93 VanDerWaalsContact CG1-CD1 3.49Å; V84-L93 HydrophobicContact CG1-CD2 3.44Å; V84-L93 VanDerWaalsContact CG1-CD2 3.44Å; V84-L93 HydrophobicContact CG1-CG 4.04Å
85	H	94.3	Very high	95.6	Very high	45 Å²	45	31.9 Å²	31.9	21%	0.208	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-6	175.9	-72	-90.6	0	0	0	114.2	F82 Q83 N135	F82-H85 PolarHBondContact O-N 3.43Å; Q83-H85 PolarHBondContact O-N 2.91Å; H85-N135 PolarHBondContact CE1-OD1 3.4Å; H85-N135 PolarHBondContact NE2-OD1 3.42Å
86	L	94.4	Very high	95.6	Very high	110 Å²	110	30.2 Å²	30.2	58%	0.576	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-7.2	175	-54.4	178	0	0	0	112.2	F82 Q83 V84	F82-L86 HydrophobicContact CD2-CD1 4.4Å; F82-L86 HydrophobicContact CE2-CD1 4.47Å; Q83-L86 WeakPolarHBondContact O-CA 3.33Å; Q83-L86 VanDerWaalsContact O-CB 3.3Å; Q83-L86 WeakPolarHBondContact O-CB 3.5Å; Q83-L86 PolarHBondContact O-N 2.83Å; V84-L86 PolarHBondContact O-N 2.86Å
87	L	96.8	Very high	95.7	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	15%	0.154	C	C	.	.			trans	-65.8	140.3	174.9	-63.7	174.1	0	0	0	110.7	E54 V55 K58 I59 F74 V84 V90	E54-L87 HydrophobicContact CG-CD2 3.81Å; E54-L87 WeakPolarHBondContact OE1-CA 3.43Å; V55-L87 HydrophobicContact CG2-CD1 3.92Å; V55-L87 HydrophobicContact CG2-CD2 4.17Å; K58-L87 HydrophobicContact CB-CD2 4.43Å; K58-L87 HydrophobicContact CD-CD2 4.32Å; I59-L87 HydrophobicContact CD1-CD1 4.11Å; I59-L87 HydrophobicContact CD1-CD2 4.3Å; I59-L87 HydrophobicContact CD1-CG 4.45Å; F74-L87 HydrophobicContact CZ-CD1 3.9Å; V84-L87 HydrophobicContact CG1-CD1 3.98Å; V84-L87 WeakPolarHBondContact O-CB 3.49Å; V84-L87 WeakPolarHBondContact O-CG 3.35Å; V84-L87 PolarHBondContact O-N 2.81Å; L87-V90 HydrophobicContact CB-CG1 4.39Å; L87-V90 HydrophobicContact CB-CG2 3.51Å; L87-V90 HydrophobicContact CD1-CG1 4.24Å; L87-V90 HydrophobicContact CD1-CG2 4.31Å
88	R	97.1	Very high	95.7	Very high	25 Å²	25	29.6 Å²	29.6	9%	0.094	15%	0.149	C	C	.	.	S	Bend	trans	-112.2	-21.7	-173.8	-61.7	-172.3	78.1	120.4	3.3	113.1	E54 V90 R277 N278 T290 Y293 E320 I323 E324	E54-R88 PolarHBondContact OE1-N 3.47Å; E54-R88 PolarHBondContact OE2-N 2.9Å; E54-R88 VanDerWaalsContact OE2-N 3.11Å; R88-V90 VanDerWaalsContact C-N 3.29Å; R88-R277 PolarHBondContact O-NH1 3.28Å; R88-R277 PolarHBondContact O-NH2 3.42Å; R88-N278 PolarHBondContact NH2-ND2 2.98Å; R88-N278 VanDerWaalsContact NH2-ND2 3.13Å; R88-T290 WeakPolarHBondContact O-CA 3.27Å; R88-T290 VanDerWaalsContact O-CG2 3.29Å; R88-T290 WeakPolarHBondContact O-CG2 3.3Å; R88-Y293 HydrophobicContact CB-CD1 3.65Å; R88-Y293 HydrophobicContact CB-CD2 3.94Å; R88-Y293 HydrophobicContact CB-CE1 3.83Å; R88-Y293 HydrophobicContact CB-CE2 4.15Å; R88-Y293 HydrophobicContact CB-CG 3.68Å; R88-E320 IonicContact CZ-OE1 3.28Å; R88-E320 IonicContact NE-OE1 3.72Å; R88-E320 PolarHBondContact NE-OE1 3Å; R88-E320 IonicContact NH2-OE1 3.27Å; R88-E320 PolarHBondContact NH2-OE1 3.35Å; R88-E320 IonicContact NH2-OE2 2.76Å; R88-E320 PolarHBondContact NH2-OE2 3.47Å; R88-I323 VanDerWaalsContact NH1-CG2 3.27Å; R88-E324 WeakPolarHBondContact CD-OE2 3.38Å; R88-E324 IonicContact CZ-OE2 3.92Å; R88-E324 IonicContact NE-OE2 2.8Å; R88-E324 IonicContact NH1-OE2 3.38Å; R88-E324 PolarHBondContact NH1-OE2 2.8Å
89	S	96.8	Very high	95.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	16%	0.156	C	C	.	.	S	Bend	trans	-77.6	-13.2	176.3	58.7	0	0	0	0	114	P44 A51 E54	P44-S89 WeakPolarHBondContact CD-O 3.49Å; A51-S89 VanDerWaalsContact CA-OG 3.23Å; A51-S89 WeakPolarHBondContact CA-OG 3.29Å; A51-S89 WeakPolarHBondContact CB-OG 3.43Å; E54-S89 WeakPolarHBondContact OE2-CB 3.34Å; E54-S89 PolarHBondContact OE2-N 3.35Å; E54-S89 PolarHBondContact OE2-OG 3.31Å
90	V	96.6	Very high	95.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.			trans	-100.9	139.2	-172.4	-60.2	0	0	0	0	112.4	A41 T42 V43 I72 L87 R88 L93 L274 T290	A41-V90 HydrophobicContact CB-CB 4.08Å; A41-V90 HydrophobicContact CB-CG1 3.61Å; T42-V90 CarbonylContact O-C 3.44Å; T42-V90 WeakPolarHBondContact O-CA 3.44Å; V43-V90 HydrophobicContact CG1-CB 4.46Å; V43-V90 HydrophobicContact CG1-CG1 3.88Å; I72-V90 HydrophobicContact CD1-CG1 4.43Å; L87-V90 HydrophobicContact CB-CG1 4.39Å; L87-V90 HydrophobicContact CB-CG2 3.51Å; L87-V90 HydrophobicContact CD1-CG1 4.24Å; L87-V90 HydrophobicContact CD1-CG2 4.31Å; R88-V90 VanDerWaalsContact C-N 3.29Å; V90-L93 HydrophobicContact CB-CD2 4.46Å; V90-L93 HydrophobicContact CG2-CD2 4.11Å; V90-L274 HydrophobicContact CG2-CD1 3.69Å; V90-L274 WeakPolarHBondContact O-CB 3.09Å; V90-T290 WeakPolarHBondContact O-CG2 3.42Å
91	D	95.1	Very high	95.7	Very high	10 Å²	10	32 Å²	32	5%	0.053	16%	0.157	C	C	.	.	S	Bend	trans	-86.9	-49.3	175.8	-85.9	-9.2	0	0	0	111.3	T42 S273 L274 H275 R288 T290	T42-D91 PolarHBondContact O-N 3.38Å; T42-D91 WeakPolarHBondContact OG1-CB 3.49Å; D91-S273 VanDerWaalsContact C-OG 3.27Å; D91-S273 CarbonylContact O-C 3.57Å; D91-S273 WeakPolarHBondContact O-CA 3.32Å; D91-S273 WeakPolarHBondContact O-CB 3.2Å; D91-S273 PolarHBondContact O-OG 3.29Å; D91-L274 PolarHBondContact O-N 3.49Å; D91-H275 IonicContact OD1-ND1 3.9Å; D91-R288 IonicContact OD2-NH1 3.18Å; D91-R288 PolarHBondContact OD2-NH1 3.18Å; D91-T290 WeakPolarHBondContact OD1-CB 3.47Å; D91-T290 VanDerWaalsContact OD1-CG2 3.23Å; D91-T290 WeakPolarHBondContact OD1-CG2 2.97Å; D91-T290 PolarHBondContact OD1-OG1 3.29Å
92	N	96.4	Very high	95.4	Very high	55 Å²	55	39 Å²	39	29%	0.294	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	152.2	-176.2	-54.9	-73.3	0	0	0	109.9	A41 T42 T270 S273	A41-N92 CarbonylContact C-O 3.57Å; A41-N92 VanDerWaalsContact CA-O 3.24Å; A41-N92 WeakPolarHBondContact CA-O 3.44Å; T42-N92 PolarHBondContact N-O 2.91Å; T42-N92 WeakPolarHBondContact OG1-CB 3.46Å; T42-N92 PolarHBondContact OG1-N 3.33Å; T42-N92 PolarHBondContact OG1-ND2 3.17Å; T42-N92 VanDerWaalsContact OG1-ND2 3.09Å; N92-T270 WeakPolarHBondContact CA-OG1 3.5Å; N92-S273 VanDerWaalsContact OD1-CA 3.26Å; N92-S273 WeakPolarHBondContact OD1-CA 3.19Å; N92-S273 WeakPolarHBondContact OD1-CB 3.22Å; N92-S273 PolarHBondContact OD1-OG 3.42Å
93	L	97.4	Very high	95.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.3	-179	-60.5	168.9	0	0	0	110.2	V39 A41 V84 V90 L269 T270 L274	V39-L93 HydrophobicContact CG1-CD2 4.21Å; A41-L93 HydrophobicContact CB-CD2 3.73Å; V84-L93 HydrophobicContact CB-CD1 4.22Å; V84-L93 HydrophobicContact CG1-CD1 3.49Å; V84-L93 VanDerWaalsContact CG1-CD1 3.49Å; V84-L93 HydrophobicContact CG1-CD2 3.44Å; V84-L93 VanDerWaalsContact CG1-CD2 3.44Å; V84-L93 HydrophobicContact CG1-CG 4.04Å; V90-L93 HydrophobicContact CB-CD2 4.46Å; V90-L93 HydrophobicContact CG2-CD2 4.11Å; L93-L269 HydrophobicContact CB-CB 4.06Å; L93-L269 HydrophobicContact CB-CD1 4.48Å; L93-L269 PolarHBondContact O-N 2.93Å; L93-T270 HydrophobicContact CB-CG2 3.91Å; L93-T270 HydrophobicContact CD1-CG2 4.09Å; L93-T270 HydrophobicContact CG-CG2 4.02Å; L93-T270 PolarHBondContact N-OG1 2.88Å; L93-T270 PolarHBondContact O-N 2.9Å; L93-T270 PolarHBondContact O-OG1 3.26Å; L93-L274 HydrophobicContact CD1-CD1 3.74Å; L93-L274 HydrophobicContact CG-CD1 3.95Å
94	F	97.9	Very high	95	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.013	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.3	170.8	60.4	-85.3	0	0	0	110.4	V39 G40 Y73 V96 L255 V264 I267	V39-F94 CarbonylContact C-O 3.43Å; V39-F94 WeakPolarHBondContact CA-O 3.43Å; G40-F94 VanDerWaalsContact C-CE1 3.49Å; G40-F94 PolarHBondContact N-O 2.91Å; G40-F94 VanDerWaalsContact O-CD1 3.23Å; G40-F94 WeakPolarHBondContact O-CD1 3.28Å; G40-F94 PolarHBondContact O-N 3.44Å; G40-F94 VanDerWaalsContact O-O 3.09Å; Y73-F94 HydrophobicContact CE1-CE2 4.06Å; Y73-F94 AromaticContact CE1-CZ 3.81Å; Y73-F94 HydrophobicContact CE1-CZ 3.81Å; F94-V96 HydrophobicContact CD2-CG2 4.39Å; F94-V96 HydrophobicContact CE2-CG2 4.04Å; F94-L255 HydrophobicContact CB-CD1 3.57Å; F94-L255 HydrophobicContact CD1-CD1 3.95Å; F94-L255 HydrophobicContact CD2-CD1 4.37Å; F94-L255 HydrophobicContact CG-CD1 3.73Å; F94-V264 HydrophobicContact CE2-CG1 3.98Å; F94-I267 CarbonylContact C-O 3.58Å; F94-I267 WeakPolarHBondContact CA-O 3.5Å; F94-I267 WeakPolarHBondContact CB-O 3.3Å
95	V	98.1	Very high	94.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.1	169.6	58	0	0	0	0	108.6	V37 A128 V131 G266 I267 L269	V37-V95 HydrophobicContact CB-CG2 3.99Å; V37-V95 HydrophobicContact CG1-CG2 4.46Å; V37-V95 HydrophobicContact CG2-CG2 4.02Å; V95-A128 HydrophobicContact CG1-CB 3.84Å; V95-A128 HydrophobicContact CG2-CB 4.16Å; V95-V131 HydrophobicContact CB-CG1 4.13Å; V95-V131 HydrophobicContact CG1-CG1 4.39Å; V95-V131 HydrophobicContact CG2-CB 4.29Å; V95-V131 HydrophobicContact CG2-CG1 4.2Å; V95-G266 CarbonylContact O-C 3.55Å; V95-G266 WeakPolarHBondContact O-CA 3.29Å; V95-I267 HydrophobicContact CG1-CB 3.91Å; V95-I267 PolarHBondContact N-O 2.9Å; V95-I267 PolarHBondContact O-N 3.25Å; V95-L269 HydrophobicContact CB-CD1 4.32Å; V95-L269 HydrophobicContact CB-CD2 4.47Å; V95-L269 HydrophobicContact CG1-CD2 4.12Å
96	V	98.1	Very high	94.6	Very high	22 Å²	22	44.3 Å²	44.3	13%	0.133	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.6	179	179.9	0	0	0	0	109	T38 Y73 F94 E99 V264	T38-V96 HydrophobicContact CG2-CB 4.34Å; T38-V96 HydrophobicContact CG2-CG2 3.89Å; T38-V96 PolarHBondContact O-N 3.1Å; Y73-V96 HydrophobicContact CD1-CG2 4.02Å; Y73-V96 HydrophobicContact CE1-CG2 4.25Å; F94-V96 HydrophobicContact CD2-CG2 4.39Å; F94-V96 HydrophobicContact CE2-CG2 4.04Å; V96-E99 HydrophobicContact CG1-CB 4.37Å; V96-V264 HydrophobicContact CG1-CG1 4.29Å; V96-V264 HydrophobicContact CG2-CG1 4.38Å
97	V	98.1	Very high	94	Very high	13 Å²	13	48.5 Å²	48.5	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-49.4	172.6	176.4	0	0	0	0	109.2	L123 P124 W125 A128 I265 I267	V97-L123 HydrophobicContact CG1-CB 3.95Å; V97-L123 HydrophobicContact CG1-CD1 4.47Å; V97-L123 HydrophobicContact CG1-CD2 4.36Å; V97-L123 HydrophobicContact CG1-CG 4.49Å; V97-P124 WeakPolarHBondContact O-CG 3.31Å; V97-W125 HydrophobicContact CB-CE3 4.38Å; V97-W125 HydrophobicContact CB-CZ3 4.38Å; V97-W125 HydrophobicContact CG1-CD2 4Å; V97-W125 HydrophobicContact CG1-CE3 3.8Å; V97-W125 HydrophobicContact CG1-CZ3 4.11Å; V97-W125 HydrophobicContact CG2-CE3 3.69Å; V97-W125 HydrophobicContact CG2-CZ3 3.69Å; V97-A128 HydrophobicContact CG2-CB 3.57Å; V97-I265 HydrophobicContact CB-CB 4.43Å; V97-I265 HydrophobicContact CB-CG2 4.2Å; V97-I265 PolarHBondContact N-O 3.01Å; V97-I267 HydrophobicContact CG2-CD1 4.37Å; V97-I267 HydrophobicContact CG2-CG1 3.99Å
98	A	96.9	Very high	93.8	Very high	15 Å²	15	50.3 Å²	50.3	12%	0.124	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	156.5	173.9	0	0	0	0	0	110.6	Y100 L123 I265	A98-Y100 HydrophobicContact CB-CE2 3.83Å; A98-L123 HydrophobicContact CB-CD2 3.31Å; A98-I265 HydrophobicContact CB-CD1 4.42Å; A98-I265 PolarHBondContact N-O 2.94Å; A98-I265 PolarHBondContact O-N 3.27Å
99	E	95.1	Very high	93.6	Very high	60 Å²	60	52.8 Å²	52.8	28%	0.28	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.4	176.7	172.3	166.9	-151.4	0	0	109.4	R64 V96 V263 V264	R64-E99 IonicContact CZ-OE1 2.68Å; R64-E99 IonicContact CZ-OE2 3.29Å; R64-E99 IonicContact NH1-OE1 3.44Å; R64-E99 PolarHBondContact NH1-OE1 3.5Å; R64-E99 IonicContact NH1-OE2 2.71Å; R64-E99 IonicContact NH2-OE1 3.57Å; R64-E99 PolarHBondContact NH2-OE1 3.21Å; R64-E99 IonicContact NH2-OE2 2.91Å; R64-E99 PolarHBondContact NH2-OE2 2.85Å; V96-E99 HydrophobicContact CG1-CB 4.37Å; E99-V263 CarbonylContact C-O 3.58Å; E99-V263 WeakPolarHBondContact CA-O 3.45Å; E99-V264 HydrophobicContact CB-CG2 4.45Å; E99-V264 HydrophobicContact CG-CG2 4.08Å
100	Y	94.2	Very high	93.4	Very high	78 Å²	78	59.6 Å²	59.6	31%	0.306	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	112.8	176.6	-56.3	-87.1	0	0	0	107.9	A98 Y103 L119 L123 E262 V263 I265	A98-Y100 HydrophobicContact CB-CE2 3.83Å; Y100-Y103 HydrophobicContact CD1-CD2 4.48Å; Y100-Y103 HydrophobicContact CD2-CD2 4.24Å; Y100-Y103 AromaticContact CG-CD2 3.97Å; Y100-Y103 HydrophobicContact CG-CD2 3.97Å; Y100-L119 HydrophobicContact CE2-CD1 4.32Å; Y100-L119 HydrophobicContact CE2-CD2 4.02Å; Y100-L119 WeakPolarHBondContact OH-CD1 3.41Å; Y100-L123 HydrophobicContact CE2-CD2 4.47Å; Y100-E262 CarbonylContact O-C 3.57Å; Y100-E262 VanDerWaalsContact O-CA 3.29Å; Y100-E262 WeakPolarHBondContact O-CA 3.19Å; Y100-V263 HydrophobicContact CD2-CB 4.21Å; Y100-V263 HydrophobicContact CD2-CG1 4.44Å; Y100-V263 PolarHBondContact N-O 2.9Å; Y100-V263 PolarHBondContact O-N 3.22Å; Y100-I265 HydrophobicContact CD2-CD1 4.16Å; Y100-I265 HydrophobicContact CE2-CD1 3.79Å
101	D	89	Confident	93.2	Very high	75 Å²	75	64.9 Å²	64.9	40%	0.401	31%	0.31	S	S	.	.	S	Bend	trans	-76.6	-28.2	-179	-65	-42.9	0	0	0	112.5	R64 E262	R64-D101 IonicContact NH1-OD1 3.6Å; D101-E262 WeakPolarHBondContact O-CG 3.41Å
102	H	89.4	Confident	93.1	Very high	152 Å²	152	64.4 Å²	64.4	70%	0.704	31%	0.307	S	S	*	.	S	Bend	trans	-134.2	62.2	-175.7	-55.5	91.5	0	0	0	111	Q104 D261	H102-Q104 PolarHBondContact O-N 2.96Å; H102-D261 IonicContact CD2-OD2 3.82Å
103	Y	89.7	Confident	92.9	Very high	20 Å²	20	62.2 Å²	62.2	8%	0.078	30%	0.296	C	S	.	.			trans	-69.3	120.2	177.1	-162.4	-85	0	0	0	110.9	Y100 F105 E115 L116 L119 D261 V263	Y100-Y103 HydrophobicContact CD1-CD2 4.48Å; Y100-Y103 HydrophobicContact CD2-CD2 4.24Å; Y100-Y103 AromaticContact CG-CD2 3.97Å; Y100-Y103 HydrophobicContact CG-CD2 3.97Å; Y103-F105 AromaticContact CD1-CD1 3.73Å; Y103-F105 HydrophobicContact CD1-CD1 3.73Å; Y103-F105 HydrophobicContact CD1-CD2 4.09Å; Y103-F105 AromaticContact CD1-CE1 3.52Å; Y103-F105 HydrophobicContact CD1-CE1 3.52Å; Y103-F105 AromaticContact CD1-CE2 3.87Å; Y103-F105 HydrophobicContact CD1-CE2 3.87Å; Y103-F105 HydrophobicContact CD1-CG 4.02Å; Y103-F105 AromaticContact CD1-CZ 3.59Å; Y103-F105 HydrophobicContact CD1-CZ 3.59Å; Y103-F105 AromaticContact CE1-CD1 3.91Å; Y103-F105 HydrophobicContact CE1-CD1 3.91Å; Y103-F105 AromaticContact CE1-CE1 3.78Å; Y103-F105 HydrophobicContact CE1-CE1 3.78Å; Y103-F105 HydrophobicContact CE1-CZ 4.29Å; Y103-F105 HydrophobicContact CG-CE1 4.5Å; Y103-F105 HydrophobicContact CG-CE2 4.39Å; Y103-F105 HydrophobicContact CG-CZ 4.2Å; Y103-F105 WeakPolarHBondContact O-CD2 3.33Å; Y103-F105 PolarHBondContact O-N 3.43Å; Y103-F105 VanDerWaalsContact O-N 3.1Å; Y103-E115 WeakPolarHBondContact OH-CG 3.49Å; Y103-L116 HydrophobicContact CE1-CD2 4.35Å; Y103-L119 HydrophobicContact CE2-CD2 4.27Å; Y103-D261 WeakPolarHBondContact CA-O 3.45Å; Y103-D261 WeakPolarHBondContact CB-O 3.5Å; Y103-D261 PolarHBondContact N-O 3.3Å; Y103-V263 HydrophobicContact CD1-CG2 4.06Å; Y103-V263 HydrophobicContact CD2-CB 4.15Å; Y103-V263 HydrophobicContact CD2-CG2 3.8Å; Y103-V263 HydrophobicContact CE2-CG2 4.48Å; Y103-V263 HydrophobicContact CG-CB 4.34Å; Y103-V263 HydrophobicContact CG-CG2 3.55Å
104	Q	89.6	Confident	92.7	Very high	152 Å²	152	66.3 Å²	66.3	71%	0.71	32%	0.318	S	S	*	.			trans	-85.3	82.1	-177.2	-66.2	-173.6	-3.1	0	0	111.3	H102 K106	H102-Q104 PolarHBondContact O-N 2.96Å; Q104-K106 PolarHBondContact O-N 3.13Å
105	F	89.5	Confident	92.5	Very high	50 Å²	50	69.2 Å²	69.2	22%	0.219	33%	0.331	C	S	.	.			trans	-58.3	133.3	171.7	-64.2	-74.5	0	0	0	111.1	Y103 T112 H222 F224 I258 N260 V263	Y103-F105 AromaticContact CD1-CD1 3.73Å; Y103-F105 HydrophobicContact CD1-CD1 3.73Å; Y103-F105 HydrophobicContact CD1-CD2 4.09Å; Y103-F105 AromaticContact CD1-CE1 3.52Å; Y103-F105 HydrophobicContact CD1-CE1 3.52Å; Y103-F105 AromaticContact CD1-CE2 3.87Å; Y103-F105 HydrophobicContact CD1-CE2 3.87Å; Y103-F105 HydrophobicContact CD1-CG 4.02Å; Y103-F105 AromaticContact CD1-CZ 3.59Å; Y103-F105 HydrophobicContact CD1-CZ 3.59Å; Y103-F105 AromaticContact CE1-CD1 3.91Å; Y103-F105 HydrophobicContact CE1-CD1 3.91Å; Y103-F105 AromaticContact CE1-CE1 3.78Å; Y103-F105 HydrophobicContact CE1-CE1 3.78Å; Y103-F105 HydrophobicContact CE1-CZ 4.29Å; Y103-F105 HydrophobicContact CG-CE1 4.5Å; Y103-F105 HydrophobicContact CG-CE2 4.39Å; Y103-F105 HydrophobicContact CG-CZ 4.2Å; Y103-F105 WeakPolarHBondContact O-CD2 3.33Å; Y103-F105 PolarHBondContact O-N 3.43Å; Y103-F105 VanDerWaalsContact O-N 3.1Å; F105-T112 HydrophobicContact CD1-CG2 3.65Å; F105-T112 HydrophobicContact CE1-CG2 4.38Å; F105-H222 AromaticContact CE2-NE2 3.97Å; F105-F224 AromaticContact CD1-CE1 3.85Å; F105-F224 HydrophobicContact CD1-CE1 3.85Å; F105-F224 HydrophobicContact CD1-CZ 4.15Å; F105-F224 AromaticContact CE1-CE1 4Å; F105-F224 HydrophobicContact CE1-CE1 4Å; F105-F224 AromaticContact CE1-CZ 3.8Å; F105-F224 HydrophobicContact CE1-CZ 3.8Å; F105-I258 HydrophobicContact CE1-CG2 4.29Å; F105-I258 HydrophobicContact CE2-CG2 4.23Å; F105-I258 HydrophobicContact CZ-CG2 3.55Å; F105-N260 WeakPolarHBondContact CE2-O 3.36Å; F105-V263 HydrophobicContact CE1-CG2 4.34Å; F105-V263 HydrophobicContact CE2-CG2 4.31Å; F105-V263 HydrophobicContact CZ-CG2 3.56Å
106	K	89.9	Confident	92.1	Very high	84 Å²	84	69.2 Å²	69.2	37%	0.365	33%	0.331	S	S	.	.			trans	-75.8	159.4	178	-51.7	-58.5	179.4	-169.6	0	110.5	Q104 S108 E111 T112 E115	Q104-K106 PolarHBondContact O-N 3.13Å; K106-S108 VanDerWaalsContact C-N 3.32Å; K106-E111 HydrophobicContact CB-CB 3.98Å; K106-E111 HydrophobicContact CG-CB 4.03Å; K106-T112 WeakPolarHBondContact CB-OG1 3.43Å; K106-T112 PolarHBondContact N-OG1 2.64Å; K106-T112 VanDerWaalsContact N-OG1 3.11Å; K106-T112 PolarHBondContact O-OG1 2.99Å; K106-E115 WeakPolarHBondContact CE-OE2 3.48Å
107	E	82.9	Confident	91.8	Very high	198 Å²	198	71.7 Å²	71.7	93%	0.925	34%	0.341	S	S	*	.	S	Bend	trans	-66	-39.4	175.7	-63.3	-173.1	171.9	0	0	111
108	S	91.8	Very high	91.6	Very high	41 Å²	41	76.2 Å²	76.2	29%	0.287	36%	0.362	S	S	.	.	S	Bend	trans	-77.5	132.8	175	-179.4	0	0	0	0	111.5	K106 E110 T112	K106-S108 VanDerWaalsContact C-N 3.32Å; S108-E110 VanDerWaalsContact C-N 3.33Å; S108-E110 PolarHBondContact OG-N 3.24Å; S108-T112 WeakPolarHBondContact O-CB 3.23Å; S108-T112 PolarHBondContact O-N 2.99Å; S108-T112 VanDerWaalsContact O-N 3.15Å; S108-T112 PolarHBondContact O-OG1 3.23Å
109	K	92.9	Very high	91.4	Very high	78 Å²	78	76.3 Å²	76.3	34%	0.339	36%	0.36	S	S	.	.	H	α-helix	trans	-58.4	-45.2	172.2	178.1	-173	175	-174.2	0	111.6	T112 L113 S223 F224 E228	K109-T112 PolarHBondContact O-N 3Å; K109-L113 HydrophobicContact CG-CD1 3.88Å; K109-L113 WeakPolarHBondContact O-CG 3.45Å; K109-L113 PolarHBondContact O-N 3.27Å; K109-S223 WeakPolarHBondContact CA-OG 3.4Å; K109-S223 WeakPolarHBondContact CD-O 3.37Å; K109-S223 WeakPolarHBondContact CG-O 3.16Å; K109-F224 HydrophobicContact CG-CB 4.17Å; K109-E228 VanDerWaalsContact CE-OE1 3.32Å; K109-E228 WeakPolarHBondContact CE-OE1 3.45Å; K109-E228 WeakPolarHBondContact CE-OE2 3.21Å; K109-E228 VanDerWaalsContact NZ-CD 3.32Å; K109-E228 IonicContact NZ-OE1 2.83Å; K109-E228 PolarHBondContact NZ-OE1 3.13Å; K109-E228 IonicContact NZ-OE2 3.61Å
110	E	93.3	Very high	91.3	Very high	144 Å²	144	73.5 Å²	73.5	67%	0.673	35%	0.347	S	S	*	.	H	α-helix	trans	-66.3	-45.1	-175.1	-67.7	170.9	-176.5	0	0	111.1	S108 T112 L113 N114	S108-E110 VanDerWaalsContact C-N 3.33Å; S108-E110 PolarHBondContact OG-N 3.24Å; E110-T112 VanDerWaalsContact C-N 3.33Å; E110-T112 PolarHBondContact O-N 3.42Å; E110-L113 PolarHBondContact O-N 3.14Å; E110-N114 WeakPolarHBondContact O-CB 3.18Å; E110-N114 PolarHBondContact O-N 3.28Å; E110-N114 PolarHBondContact O-ND2 2.97Å
111	E	92.7	Very high	91.2	Very high	111 Å²	111	73 Å²	73	52%	0.519	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-42.9	176.4	-65.9	177.9	179	0	0	111.7	K106 N114 E115	K106-E111 HydrophobicContact CB-CB 3.98Å; K106-E111 HydrophobicContact CG-CB 4.03Å; E111-N114 PolarHBondContact O-N 3.32Å; E111-E115 WeakPolarHBondContact O-CB 3.03Å; E111-E115 PolarHBondContact O-N 3.44Å
112	T	91.8	Very high	91.5	Very high	0 Å²	0	76 Å²	76	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-62.4	-44.2	177.8	-64	0	0	0	0	112.1	F105 K106 S108 K109 E110 E115 L116 F224	F105-T112 HydrophobicContact CD1-CG2 3.65Å; F105-T112 HydrophobicContact CE1-CG2 4.38Å; K106-T112 WeakPolarHBondContact CB-OG1 3.43Å; K106-T112 PolarHBondContact N-OG1 2.64Å; K106-T112 VanDerWaalsContact N-OG1 3.11Å; K106-T112 PolarHBondContact O-OG1 2.99Å; S108-T112 WeakPolarHBondContact O-CB 3.23Å; S108-T112 PolarHBondContact O-N 2.99Å; S108-T112 VanDerWaalsContact O-N 3.15Å; S108-T112 PolarHBondContact O-OG1 3.23Å; K109-T112 PolarHBondContact O-N 3Å; E110-T112 VanDerWaalsContact C-N 3.33Å; E110-T112 PolarHBondContact O-N 3.42Å; T112-E115 PolarHBondContact O-N 3.04Å; T112-L116 HydrophobicContact CG2-CD1 4.42Å; T112-L116 WeakPolarHBondContact O-CG 3.47Å; T112-L116 PolarHBondContact O-N 2.55Å; T112-F224 HydrophobicContact CG2-CD1 3.81Å; T112-F224 HydrophobicContact CG2-CE1 3.56Å; T112-F224 HydrophobicContact CG2-CZ 4.46Å
113	L	93.1	Very high	91.8	Very high	10 Å²	10	69.2 Å²	69.2	5%	0.052	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-38.8	179.2	-70.5	170.6	0	0	0	111.6	K109 E110 L116 Q117 F224 E228 A229 D232	K109-L113 HydrophobicContact CG-CD1 3.88Å; K109-L113 WeakPolarHBondContact O-CG 3.45Å; K109-L113 PolarHBondContact O-N 3.27Å; E110-L113 PolarHBondContact O-N 3.14Å; L113-L116 HydrophobicContact CD2-CD1 4.47Å; L113-L116 PolarHBondContact O-N 2.9Å; L113-Q117 WeakPolarHBondContact O-CB 3.32Å; L113-Q117 PolarHBondContact O-N 3.39Å; L113-F224 HydrophobicContact CD1-CB 4.47Å; L113-F224 HydrophobicContact CD2-CB 4.12Å; L113-F224 HydrophobicContact CD2-CD2 4.48Å; L113-F224 HydrophobicContact CD2-CG 4.28Å; L113-F224 HydrophobicContact CG-CB 4.4Å; L113-E228 HydrophobicContact CD1-CB 4.35Å; L113-E228 HydrophobicContact CD2-CB 4.39Å; L113-A229 HydrophobicContact CD2-CB 4.33Å; L113-D232 WeakPolarHBondContact CD1-OD2 3.46Å
114	N	93.4	Very high	92.1	Very high	86 Å²	86	72.2 Å²	72.2	46%	0.46	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-42	173.2	-70.3	-21.1	0	0	0	111.5	E110 E111 L116 Q117 E118	E110-N114 WeakPolarHBondContact O-CB 3.18Å; E110-N114 PolarHBondContact O-N 3.28Å; E110-N114 PolarHBondContact O-ND2 2.97Å; E111-N114 PolarHBondContact O-N 3.32Å; N114-L116 PolarHBondContact O-N 3.13Å; N114-Q117 WeakPolarHBondContact O-CB 3.48Å; N114-Q117 PolarHBondContact O-N 2.87Å; N114-Q117 VanDerWaalsContact O-N 3.17Å; N114-E118 WeakPolarHBondContact O-CG 3.44Å; N114-E118 PolarHBondContact O-N 3.37Å
115	E	92.1	Very high	92.5	Very high	65 Å²	65	65.3 Å²	65.3	30%	0.304	32%	0.322	S	S	.	.	H	α-helix	trans	-63.6	-42.2	176.7	-169.9	178.2	-163.3	0	0	111.7	Y103 K106 E111 T112 Q117 E118 L119	Y103-E115 WeakPolarHBondContact OH-CG 3.49Å; K106-E115 WeakPolarHBondContact CE-OE2 3.48Å; E111-E115 WeakPolarHBondContact O-CB 3.03Å; E111-E115 PolarHBondContact O-N 3.44Å; T112-E115 PolarHBondContact O-N 3.04Å; E115-Q117 VanDerWaalsContact C-N 3.31Å; E115-Q117 PolarHBondContact O-N 2.96Å; E115-E118 PolarHBondContact O-N 2.94Å; E115-L119 PolarHBondContact O-N 3.23Å
116	L	91.3	Very high	92.8	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-40.4	172.6	-71.1	173.2	0	0	0	111.4	Y103 T112 L113 N114 L119 F224 A229 F233 I258	Y103-L116 HydrophobicContact CE1-CD2 4.35Å; T112-L116 HydrophobicContact CG2-CD1 4.42Å; T112-L116 WeakPolarHBondContact O-CG 3.47Å; T112-L116 PolarHBondContact O-N 2.55Å; L113-L116 HydrophobicContact CD2-CD1 4.47Å; L113-L116 PolarHBondContact O-N 2.9Å; N114-L116 PolarHBondContact O-N 3.13Å; L116-L119 VanDerWaalsContact O-CB 3.25Å; L116-L119 WeakPolarHBondContact O-CB 3.42Å; L116-L119 PolarHBondContact O-N 2.99Å; L116-F224 HydrophobicContact CD1-CZ 4.42Å; L116-A229 HydrophobicContact CD1-CB 4.28Å; L116-F233 VanDerWaalsContact O-CD2 3.25Å; L116-F233 WeakPolarHBondContact O-CD2 3.42Å; L116-I258 HydrophobicContact CD1-CD1 4.42Å
117	Q	91.9	Very high	93.1	Very high	73 Å²	73	68 Å²	68	34%	0.341	35%	0.348	S	S	.	.	H	α-helix	trans	-60.8	-49.7	176.5	-166.4	-173.7	-9.7	0	0	111.2	L113 N114 E115 L119 A120 A236	L113-Q117 WeakPolarHBondContact O-CB 3.32Å; L113-Q117 PolarHBondContact O-N 3.39Å; N114-Q117 WeakPolarHBondContact O-CB 3.48Å; N114-Q117 PolarHBondContact O-N 2.87Å; N114-Q117 VanDerWaalsContact O-N 3.17Å; E115-Q117 VanDerWaalsContact C-N 3.31Å; E115-Q117 PolarHBondContact O-N 2.96Å; Q117-L119 PolarHBondContact O-N 2.86Å; Q117-A120 PolarHBondContact O-N 2.89Å; Q117-A236 HydrophobicContact CB-CB 4.44Å; Q117-A236 HydrophobicContact CG-CB 3.61Å; Q117-A236 WeakPolarHBondContact O-CB 3.45Å
118	E	92.4	Very high	93.7	Very high	109 Å²	109	58.8 Å²	58.8	51%	0.509	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-26.8	177.6	-73.7	-172.3	-164.1	0	0	113.5	N114 E115 A120 S121 K122	N114-E118 WeakPolarHBondContact O-CG 3.44Å; N114-E118 PolarHBondContact O-N 3.37Å; E115-E118 PolarHBondContact O-N 2.94Å; E118-A120 VanDerWaalsContact C-N 3.25Å; E118-A120 PolarHBondContact O-N 2.9Å; E118-S121 PolarHBondContact O-OG 2.9Å; E118-K122 IonicContact OE2-NZ 2.85Å; E118-K122 PolarHBondContact OE2-NZ 2.89Å
119	L	93	Very high	93.9	Very high	17 Å²	17	57.7 Å²	57.7	9%	0.089	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-37.2	179.4	-167.3	61.5	0	0	0	111.4	Y100 Y103 E115 L116 Q117 S121 K122 L123 F233 I265	Y100-L119 HydrophobicContact CE2-CD1 4.32Å; Y100-L119 HydrophobicContact CE2-CD2 4.02Å; Y100-L119 WeakPolarHBondContact OH-CD1 3.41Å; Y103-L119 HydrophobicContact CE2-CD2 4.27Å; E115-L119 PolarHBondContact O-N 3.23Å; L116-L119 VanDerWaalsContact O-CB 3.25Å; L116-L119 WeakPolarHBondContact O-CB 3.42Å; L116-L119 PolarHBondContact O-N 2.99Å; Q117-L119 PolarHBondContact O-N 2.86Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 2.82Å; L119-K122 PolarHBondContact O-N 3.5Å; L119-L123 HydrophobicContact CD1-CD2 4.47Å; L119-L123 HydrophobicContact CG-CD1 4.34Å; L119-L123 HydrophobicContact CG-CD2 4.2Å; L119-L123 HydrophobicContact CG-CG 4.15Å; L119-L123 VanDerWaalsContact O-CG 3.32Å; L119-L123 WeakPolarHBondContact O-CG 3.1Å; L119-L123 PolarHBondContact O-N 3.01Å; L119-F233 HydrophobicContact CB-CE2 4.49Å; L119-I265 HydrophobicContact CD2-CD1 3.89Å
120	A	92.4	Very high	94	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-56.4	-39.6	-171.9	0	0	0	0	0	113.7	Q117 E118 W125 F233 A236 V237	Q117-A120 PolarHBondContact O-N 2.89Å; E118-A120 VanDerWaalsContact C-N 3.25Å; E118-A120 PolarHBondContact O-N 2.9Å; A120-W125 PolarHBondContact O-NE1 3.27Å; A120-F233 HydrophobicContact CB-CD2 4.37Å; A120-F233 HydrophobicContact CB-CE2 3.95Å; A120-F233 HydrophobicContact CB-CZ 4.31Å; A120-A236 HydrophobicContact CB-CB 3.46Å; A120-A236 VanDerWaalsContact CB-CB 3.46Å; A120-V237 HydrophobicContact CB-CG2 4.04Å
121	S	92.9	Very high	94.1	Very high	68 Å²	68	51 Å²	51	48%	0.476	27%	0.266	S	S	.	.	H	α-helix	trans	-78.7	-19.2	179.4	62	0	0	0	0	113.5	E118 L119	E118-S121 PolarHBondContact O-OG 2.9Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 2.82Å
122	K	95.1	Very high	94.3	Very high	139 Å²	139	46.4 Å²	46.4	60%	0.604	24%	0.244	S	C	*	.	H	α-helix	trans	-88.9	-11.5	-179.2	-61.9	170.2	-171.1	165.4	0	112.9	E118 L119	E118-K122 IonicContact OE2-NZ 2.85Å; E118-K122 PolarHBondContact OE2-NZ 2.89Å; L119-K122 PolarHBondContact O-N 3.5Å
123	L	96.1	Very high	94.4	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.047	27%	0.268	C	S	.	.	S	Bend	trans	-77.1	144.6	-173.6	-74.7	170.8	0	0	0	113.6	V97 A98 Y100 L119 W125 F233 I265	V97-L123 HydrophobicContact CG1-CB 3.95Å; V97-L123 HydrophobicContact CG1-CD1 4.47Å; V97-L123 HydrophobicContact CG1-CD2 4.36Å; V97-L123 HydrophobicContact CG1-CG 4.49Å; A98-L123 HydrophobicContact CB-CD2 3.31Å; Y100-L123 HydrophobicContact CE2-CD2 4.47Å; L119-L123 HydrophobicContact CD1-CD2 4.47Å; L119-L123 HydrophobicContact CG-CD1 4.34Å; L119-L123 HydrophobicContact CG-CD2 4.2Å; L119-L123 HydrophobicContact CG-CG 4.15Å; L119-L123 VanDerWaalsContact O-CG 3.32Å; L119-L123 WeakPolarHBondContact O-CG 3.1Å; L119-L123 PolarHBondContact O-N 3.01Å; L123-W125 VanDerWaalsContact C-N 3.33Å; L123-W125 HydrophobicContact CB-CD2 4.34Å; L123-W125 HydrophobicContact CB-CG 4.49Å; L123-W125 HydrophobicContact CB-CZ2 4.08Å; L123-W125 HydrophobicContact CD1-CH2 4.05Å; L123-W125 HydrophobicContact CD1-CZ2 3.49Å; L123-W125 VanDerWaalsContact CD1-CZ2 3.49Å; L123-W125 HydrophobicContact CG-CZ2 4.43Å; L123-W125 PolarHBondContact O-N 3.41Å; L123-F233 HydrophobicContact CD1-CE2 4.14Å; L123-F233 HydrophobicContact CD1-CZ 3.73Å; L123-I265 HydrophobicContact CD1-CB 4.32Å; L123-I265 HydrophobicContact CD1-CD1 4.42Å; L123-I265 HydrophobicContact CD1-CG1 4.23Å; L123-I265 HydrophobicContact CD1-CG2 3.97Å; L123-I265 HydrophobicContact CD2-CD1 4.2Å
124	P	96.4	Very high	94.4	Very high	82 Å²	82	55 Å²	55	53%	0.532	28%	0.279	S	S	.	.			trans	-83.7	68.6	-177.8	35.2	-36.9	0	0	0	112.4	V97 T126	V97-P124 WeakPolarHBondContact O-CG 3.31Å; P124-T126 VanDerWaalsContact C-N 3.29Å; P124-T126 PolarHBondContact O-N 2.78Å
125	W	96.8	Very high	94.4	Very high	8 Å²	8	51 Å²	51	3%	0.03	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-23.4	-172.7	-62.4	103.6	0	0	0	115.9	V97 A120 L123 N127 A128 L129 F233 V237 F240 F241 V254 I265 I267	V97-W125 HydrophobicContact CB-CE3 4.38Å; V97-W125 HydrophobicContact CB-CZ3 4.38Å; V97-W125 HydrophobicContact CG1-CD2 4Å; V97-W125 HydrophobicContact CG1-CE3 3.8Å; V97-W125 HydrophobicContact CG1-CZ3 4.11Å; V97-W125 HydrophobicContact CG2-CE3 3.69Å; V97-W125 HydrophobicContact CG2-CZ3 3.69Å; A120-W125 PolarHBondContact O-NE1 3.27Å; L123-W125 VanDerWaalsContact C-N 3.33Å; L123-W125 HydrophobicContact CB-CD2 4.34Å; L123-W125 HydrophobicContact CB-CG 4.49Å; L123-W125 HydrophobicContact CB-CZ2 4.08Å; L123-W125 HydrophobicContact CD1-CH2 4.05Å; L123-W125 HydrophobicContact CD1-CZ2 3.49Å; L123-W125 VanDerWaalsContact CD1-CZ2 3.49Å; L123-W125 HydrophobicContact CG-CZ2 4.43Å; L123-W125 PolarHBondContact O-N 3.41Å; W125-N127 PolarHBondContact O-N 3.03Å; W125-A128 PolarHBondContact O-N 2.95Å; W125-L129 HydrophobicContact CB-CD1 3.82Å; W125-L129 HydrophobicContact CB-CG 4.33Å; W125-L129 WeakPolarHBondContact O-CB 3.44Å; W125-L129 WeakPolarHBondContact O-CG 3.49Å; W125-L129 PolarHBondContact O-N 3.47Å; W125-F233 HydrophobicContact CH2-CE1 4.33Å; W125-F233 HydrophobicContact CH2-CZ 4.24Å; W125-F233 HydrophobicContact CZ2-CZ 4.22Å; W125-V237 HydrophobicContact CH2-CG2 4.42Å; W125-V237 HydrophobicContact CZ2-CG2 4.22Å; W125-F240 AromaticContact CD1-CE1 3.95Å; W125-F241 HydrophobicContact CB-CZ 3.75Å; W125-F241 AromaticContact CD1-CE2 3.95Å; W125-F241 AromaticContact CD1-CZ 3.58Å; W125-F241 AromaticContact CD2-CE2 3.88Å; W125-F241 HydrophobicContact CD2-CE2 3.88Å; W125-F241 AromaticContact CD2-CZ 3.85Å; W125-F241 HydrophobicContact CD2-CZ 3.85Å; W125-F241 AromaticContact CE2-CE2 3.86Å; W125-F241 HydrophobicContact CE3-CE2 4.47Å; W125-F241 AromaticContact CG-CE2 3.96Å; W125-F241 HydrophobicContact CG-CE2 3.96Å; W125-F241 AromaticContact CG-CZ 3.46Å; W125-F241 HydrophobicContact CG-CZ 3.46Å; W125-F241 VanDerWaalsContact CG-CZ 3.46Å; W125-F241 HydrophobicContact CZ2-CE2 4.45Å; W125-F241 AromaticContact NE1-CE2 3.86Å; W125-F241 AromaticContact NE1-CZ 3.99Å; W125-V254 HydrophobicContact CH2-CG1 3.75Å; W125-V254 HydrophobicContact CZ3-CG1 4.06Å; W125-V254 HydrophobicContact CZ3-CG2 4.41Å; W125-I265 HydrophobicContact CH2-CG2 3.92Å; W125-I265 HydrophobicContact CZ3-CG2 4.36Å; W125-I267 HydrophobicContact CE3-CD1 4.16Å; W125-I267 HydrophobicContact CE3-CG1 4.48Å; W125-I267 HydrophobicContact CZ3-CD1 4.37Å; W125-I267 HydrophobicContact CZ3-CG1 4.23Å
126	T	95.8	Very high	94.2	Very high	113 Å²	113	51.4 Å²	51.4	69%	0.693	26%	0.257	S	S	*	.	H	α-helix	trans	-52.8	-54.1	-166.9	-51.6	0	0	0	0	113.4	P124 L129 E130	P124-T126 VanDerWaalsContact C-N 3.29Å; P124-T126 PolarHBondContact O-N 2.78Å; T126-L129 PolarHBondContact O-N 2.93Å; T126-E130 PolarHBondContact O-N 2.9Å; T126-E130 VanDerWaalsContact O-N 3.09Å
127	N	96	Very high	93.8	Very high	78 Å²	78	54.8 Å²	54.8	42%	0.417	28%	0.277	S	S	.	.	H	α-helix	trans	-68.8	-39.6	-176.6	-70.9	-6.5	0	0	0	112	I35 V37 W125 E130 V131	I35-N127 HydrophobicContact CD1-CB 3.92Å; V37-N127 HydrophobicContact CG1-CB 3.98Å; W125-N127 PolarHBondContact O-N 3.03Å; N127-E130 PolarHBondContact O-N 3.08Å; N127-V131 VanDerWaalsContact O-CG2 3.29Å; N127-V131 WeakPolarHBondContact O-CG2 3.44Å; N127-V131 PolarHBondContact O-N 3.2Å
128	A	96.4	Very high	93.2	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-40.3	178.7	0	0	0	0	0	112	V95 V97 W125 V131 W132 I267	V95-A128 HydrophobicContact CG1-CB 3.84Å; V95-A128 HydrophobicContact CG2-CB 4.16Å; V97-A128 HydrophobicContact CG2-CB 3.57Å; W125-A128 PolarHBondContact O-N 2.95Å; A128-V131 PolarHBondContact O-N 3.39Å; A128-W132 WeakPolarHBondContact O-CB 3.44Å; A128-W132 PolarHBondContact O-N 3.31Å; A128-I267 HydrophobicContact CB-CD1 3.98Å; A128-I267 HydrophobicContact CB-CG1 4.5Å
129	L	96.3	Very high	92	Very high	19 Å²	19	52 Å²	52	10%	0.099	27%	0.265	C	S	.	.	H	α-helix	trans	-67.4	-37.3	176.4	-73.9	170.7	0	0	0	112.3	W125 T126 W132 R133 F241 W243 I252 I267	W125-L129 HydrophobicContact CB-CD1 3.82Å; W125-L129 HydrophobicContact CB-CG 4.33Å; W125-L129 WeakPolarHBondContact O-CB 3.44Å; W125-L129 WeakPolarHBondContact O-CG 3.49Å; W125-L129 PolarHBondContact O-N 3.47Å; T126-L129 PolarHBondContact O-N 2.93Å; L129-W132 PolarHBondContact O-N 2.79Å; L129-R133 WeakPolarHBondContact O-CG 3.17Å; L129-R133 PolarHBondContact O-N 2.89Å; L129-F241 HydrophobicContact CD1-CE1 3.77Å; L129-F241 HydrophobicContact CD1-CZ 3.89Å; L129-W243 HydrophobicContact CD1-CH2 4.4Å; L129-W243 HydrophobicContact CD1-CZ2 4.44Å; L129-W243 HydrophobicContact CD2-CH2 3.65Å; L129-W243 HydrophobicContact CD2-CZ2 4.01Å; L129-I252 HydrophobicContact CD2-CD1 4.25Å; L129-I267 HydrophobicContact CD2-CD1 3.57Å; L129-I267 HydrophobicContact CG-CD1 3.94Å
130	E	95.5	Very high	90.5	Very high	80 Å²	80	57.6 Å²	57.6	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-45.8	175	-174.5	53.8	-152.4	0	0	111.5	I35 T126 N127 W132 R133 L134	I35-E130 HydrophobicContact CD1-CB 4.31Å; I35-E130 HydrophobicContact CD1-CG 4.37Å; T126-E130 PolarHBondContact O-N 2.9Å; T126-E130 VanDerWaalsContact O-N 3.09Å; N127-E130 PolarHBondContact O-N 3.08Å; E130-W132 VanDerWaalsContact C-N 3.33Å; E130-W132 PolarHBondContact O-N 2.84Å; E130-R133 WeakPolarHBondContact O-CB 3.32Å; E130-R133 PolarHBondContact O-N 2.91Å; E130-R133 VanDerWaalsContact O-N 3.13Å; E130-L134 HydrophobicContact CG-CD1 4.44Å; E130-L134 WeakPolarHBondContact O-CG 3.22Å; E130-L134 PolarHBondContact O-N 2.91Å
131	V	95.8	Very high	88.9	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.006	32%	0.32	C	S	.	.	H	α-helix	trans	-60.4	-42.4	174.8	172.6	0	0	0	0	111.5	I35 V37 T78 L81 V95 N127 A128 R133 L134 N135 L269	I35-V131 HydrophobicContact CD1-CG2 4.29Å; V37-V131 HydrophobicContact CB-CG2 4.32Å; V37-V131 HydrophobicContact CG1-CG2 3.8Å; V37-V131 HydrophobicContact CG2-CG1 4.5Å; V37-V131 HydrophobicContact CG2-CG2 3.71Å; T78-V131 HydrophobicContact CG2-CG2 3.93Å; L81-V131 HydrophobicContact CD1-CG1 3.88Å; L81-V131 HydrophobicContact CD2-CG1 4.14Å; V95-V131 HydrophobicContact CB-CG1 4.13Å; V95-V131 HydrophobicContact CG1-CG1 4.39Å; V95-V131 HydrophobicContact CG2-CB 4.29Å; V95-V131 HydrophobicContact CG2-CG1 4.2Å; N127-V131 VanDerWaalsContact O-CG2 3.29Å; N127-V131 WeakPolarHBondContact O-CG2 3.44Å; N127-V131 PolarHBondContact O-N 3.2Å; A128-V131 PolarHBondContact O-N 3.39Å; V131-R133 PolarHBondContact O-N 3.28Å; V131-L134 PolarHBondContact O-N 3.34Å; V131-N135 WeakPolarHBondContact O-CB 3.21Å; V131-N135 PolarHBondContact O-N 3.33Å; V131-L269 HydrophobicContact CG1-CD1 4.39Å; V131-L269 HydrophobicContact CG1-CD2 4.16Å
132	W	95.3	Very high	87.2	Confident	15 Å²	15	68.6 Å²	68.6	6%	0.057	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-41	174.7	171	88.3	0	0	0	112.2	A128 L129 E130 N135 R136 D251 I252 I267 L269	A128-W132 WeakPolarHBondContact O-CB 3.44Å; A128-W132 PolarHBondContact O-N 3.31Å; L129-W132 PolarHBondContact O-N 2.79Å; E130-W132 VanDerWaalsContact C-N 3.33Å; E130-W132 PolarHBondContact O-N 2.84Å; W132-N135 WeakPolarHBondContact O-CB 3.19Å; W132-N135 PolarHBondContact O-N 3.48Å; W132-R136 VanDerWaalsContact CZ2-CD 3.48Å; W132-R136 HydrophobicContact CZ2-CG 4.32Å; W132-R136 PolarHBondContact O-N 3.41Å; W132-D251 HydrophobicContact CH2-CB 4.46Å; W132-D251 HydrophobicContact CZ2-CB 4.12Å; W132-D251 WeakPolarHBondContact CZ2-O 3.38Å; W132-D251 PolarHBondContact NE1-O 3.27Å; W132-I252 HydrophobicContact CD2-CD1 4.37Å; W132-I252 HydrophobicContact CD2-CG1 4.08Å; W132-I252 HydrophobicContact CE3-CD1 4.18Å; W132-I252 HydrophobicContact CE3-CG1 4.33Å; W132-I252 HydrophobicContact CH2-CD1 3.76Å; W132-I252 HydrophobicContact CH2-CG1 3.54Å; W132-I252 HydrophobicContact CZ2-CB 4.47Å; W132-I252 HydrophobicContact CZ2-CD1 3.99Å; W132-I252 HydrophobicContact CZ2-CG1 3.25Å; W132-I252 HydrophobicContact CZ3-CD1 3.87Å; W132-I252 HydrophobicContact CZ3-CG1 4.08Å; W132-I267 HydrophobicContact CB-CG2 3.97Å; W132-I267 HydrophobicContact CG-CG2 3.9Å; W132-L269 HydrophobicContact CB-CD2 4.47Å
133	R	94	Very high	84.8	Confident	134 Å²	134	63.8 Å²	63.8	51%	0.506	32%	0.318	S	S	.	.	H	α-helix	trans	-62	-50.1	175	-79.6	-172.1	175.3	119.6	-0.2	111.6	L129 E130 V131 N135 R136 T137	L129-R133 WeakPolarHBondContact O-CG 3.17Å; L129-R133 PolarHBondContact O-N 2.89Å; E130-R133 WeakPolarHBondContact O-CB 3.32Å; E130-R133 PolarHBondContact O-N 2.91Å; E130-R133 VanDerWaalsContact O-N 3.13Å; V131-R133 PolarHBondContact O-N 3.28Å; R133-N135 VanDerWaalsContact C-N 3.28Å; R133-N135 PolarHBondContact O-N 2.85Å; R133-R136 WeakPolarHBondContact O-CB 3.35Å; R133-R136 PolarHBondContact O-N 2.8Å; R133-R136 VanDerWaalsContact O-N 3.12Å; R133-T137 PolarHBondContact O-N 2.89Å
134	L	93.4	Very high	81.9	Confident	56 Å²	56	70.6 Å²	70.6	29%	0.293	35%	0.349	S	S	.	.	H	α-helix	trans	-56.6	-44.6	176.1	-69.6	173.6	0	0	0	111	T78 L81 E130 V131 R136 T137 L138	T78-L134 HydrophobicContact CG2-CD1 3.69Å; L81-L134 HydrophobicContact CD2-CB 3.87Å; E130-L134 HydrophobicContact CG-CD1 4.44Å; E130-L134 WeakPolarHBondContact O-CG 3.22Å; E130-L134 PolarHBondContact O-N 2.91Å; V131-L134 PolarHBondContact O-N 3.34Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 3.12Å; L134-T137 PolarHBondContact O-N 2.93Å; L134-T137 PolarHBondContact O-OG1 2.89Å; L134-L138 PolarHBondContact O-N 3.43Å
135	N	92.6	Very high	79.4	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.011	36%	0.363	C	S	.	.	H	α-helix	trans	-58.5	-39.5	176.9	-175.8	61.2	0	0	0	113	L81 H85 V131 W132 R133 T137 L138 K139 L269	L81-N135 HydrophobicContact CD2-CB 4.15Å; H85-N135 PolarHBondContact CE1-OD1 3.4Å; H85-N135 PolarHBondContact NE2-OD1 3.42Å; V131-N135 WeakPolarHBondContact O-CB 3.21Å; V131-N135 PolarHBondContact O-N 3.33Å; W132-N135 WeakPolarHBondContact O-CB 3.19Å; W132-N135 PolarHBondContact O-N 3.48Å; R133-N135 VanDerWaalsContact C-N 3.28Å; R133-N135 PolarHBondContact O-N 2.85Å; N135-T137 VanDerWaalsContact C-N 3.33Å; N135-T137 PolarHBondContact O-N 2.69Å; N135-L138 PolarHBondContact O-N 3.21Å; N135-K139 PolarHBondContact O-N 3.34Å; N135-L269 HydrophobicContact CB-CD2 4.04Å; N135-L269 PolarHBondContact ND2-O 2.97Å
136	R	88.3	Confident	76.6	Confident	74 Å²	74	85.3 Å²	85.3	28%	0.279	40%	0.399	S	S	.	.	H	α-helix	trans	-61.8	-37.9	173.3	-98	-175	91.7	157	17	112.7	W132 R133 L134 K139 K140 D251	W132-R136 VanDerWaalsContact CZ2-CD 3.48Å; W132-R136 HydrophobicContact CZ2-CG 4.32Å; W132-R136 PolarHBondContact O-N 3.41Å; R133-R136 WeakPolarHBondContact O-CB 3.35Å; R133-R136 PolarHBondContact O-N 2.8Å; R133-R136 VanDerWaalsContact O-N 3.12Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 3.12Å; R136-K139 WeakPolarHBondContact O-CB 3.28Å; R136-K139 PolarHBondContact O-N 3.43Å; R136-K140 PolarHBondContact O-N 3.4Å; R136-D251 IonicContact CZ-OD1 3.52Å; R136-D251 VanDerWaalsContact CZ-OD1 3.29Å; R136-D251 IonicContact NH1-OD1 3.67Å; R136-D251 PolarHBondContact NH1-OD1 2.93Å; R136-D251 IonicContact NH2-OD1 2.64Å; R136-D251 PolarHBondContact NH2-OD1 3.1Å
137	T	83.2	Confident	73.6	Confident	71 Å²	71	83.5 Å²	83.5	44%	0.436	40%	0.395	S	S	.	.	H	α-helix	trans	-67.5	-37.5	179.8	71.3	0	0	0	0	112	R133 L134 N135 K139 K140 K141	R133-T137 PolarHBondContact O-N 2.89Å; L134-T137 PolarHBondContact O-N 2.93Å; L134-T137 PolarHBondContact O-OG1 2.89Å; N135-T137 VanDerWaalsContact C-N 3.33Å; N135-T137 PolarHBondContact O-N 2.69Å; T137-K139 VanDerWaalsContact C-N 3.28Å; T137-K139 PolarHBondContact O-N 3.27Å; T137-K140 PolarHBondContact O-N 3.36Å; T137-K141 PolarHBondContact O-N 3.37Å; T137-K141 VanDerWaalsContact O-N 3.08Å
138	L	78.5	Confident	70.5	Confident	62 Å²	62	82.4 Å²	82.4	33%	0.325	40%	0.403	S	S	.	.	H	α-helix	trans	-59.3	-41	173.1	-64.2	175.6	0	0	0	111.1	L81 F82 L134 N135 K142	L81-L138 HydrophobicContact CD2-CD1 4.2Å; L81-L138 HydrophobicContact CG-CD1 4.13Å; F82-L138 HydrophobicContact CB-CD1 4.12Å; F82-L138 HydrophobicContact CB-CD2 4.45Å; L134-L138 PolarHBondContact O-N 3.43Å; N135-L138 PolarHBondContact O-N 3.21Å; L138-K142 PolarHBondContact O-N 3.04Å; L138-K142 VanDerWaalsContact O-N 3.16Å
139	K	67.5	Low	67.6	Low	61 Å²	61	88.5 Å²	88.5	27%	0.265	43%	0.434	S	S	.	.	H	α-helix	trans	-65.3	-44	175.4	-65.4	-174.1	-170.7	-177	0	112.5	N135 R136 T137 K141 K142 G143 L269 E271	N135-K139 PolarHBondContact O-N 3.34Å; R136-K139 WeakPolarHBondContact O-CB 3.28Å; R136-K139 PolarHBondContact O-N 3.43Å; T137-K139 VanDerWaalsContact C-N 3.28Å; T137-K139 PolarHBondContact O-N 3.27Å; K139-K141 VanDerWaalsContact C-N 3.34Å; K139-K141 PolarHBondContact O-N 3.46Å; K139-K142 CarbonylContact O-C 3.56Å; K139-K142 WeakPolarHBondContact O-CB 3.21Å; K139-K142 PolarHBondContact O-N 3.48Å; K139-K142 VanDerWaalsContact O-N 3.12Å; K139-G143 PolarHBondContact O-N 2.93Å; K139-L269 WeakPolarHBondContact CE-O 3.44Å; K139-L269 PolarHBondContact NZ-O 3.48Å; K139-L269 VanDerWaalsContact NZ-O 3.11Å; K139-E271 WeakPolarHBondContact CD-OE1 3.45Å; K139-E271 VanDerWaalsContact NZ-CD 3.25Å; K139-E271 IonicContact NZ-OE1 2.58Å; K139-E271 PolarHBondContact NZ-OE1 3.12Å
140	K	62	Low	64.7	Low	134 Å²	134	91.7 Å²	91.7	58%	0.583	46%	0.464	S	S	*	.	H	α-helix	trans	-60.1	-41.6	178.1	-73.9	-176.2	179.7	-179.2	0	112.2	R136 T137 K142 G143 H144	R136-K140 PolarHBondContact O-N 3.4Å; T137-K140 PolarHBondContact O-N 3.36Å; K140-K142 VanDerWaalsContact C-N 3.34Å; K140-K142 PolarHBondContact O-N 3.21Å; K140-G143 PolarHBondContact O-N 3.39Å; K140-H144 PolarHBondContact O-N 3.09Å; K140-H144 PolarHBondContact O-ND1 3.25Å
141	K	59.4	Low	61.5	Low	151 Å²	151	94 Å²	94	66%	0.657	48%	0.483	S	S	*	.	H	α-helix	trans	-63.1	-38.1	174.5	-71.2	-178.2	178.6	179.5	0	111.9	T137 K139 R145	T137-K141 PolarHBondContact O-N 3.37Å; T137-K141 VanDerWaalsContact O-N 3.08Å; K139-K141 VanDerWaalsContact C-N 3.34Å; K139-K141 PolarHBondContact O-N 3.46Å; K141-R145 PolarHBondContact O-N 2.95Å
142	K	56.8	Low	58.4	Low	149 Å²	149	104.1 Å²	104.1	65%	0.648	52%	0.521	S	S	*	.	H	α-helix	trans	-69.7	-34.9	174.9	-159.9	175.2	-175.9	175.7	0	112.6	L138 K139 K140	L138-K142 PolarHBondContact O-N 3.04Å; L138-K142 VanDerWaalsContact O-N 3.16Å; K139-K142 CarbonylContact O-C 3.56Å; K139-K142 WeakPolarHBondContact O-CB 3.21Å; K139-K142 PolarHBondContact O-N 3.48Å; K139-K142 VanDerWaalsContact O-N 3.12Å; K140-K142 VanDerWaalsContact C-N 3.34Å; K140-K142 PolarHBondContact O-N 3.21Å
143	G	44	Very low	55.1	Low	38 Å²	38	108.4 Å²	108.4	39%	0.392	56%	0.56	S	S	.	*	H	α-helix	trans	-72.6	-41.1	176.6	0	0	0	0	0	113.9	K139 K140 R145 K146 A147	K139-G143 PolarHBondContact O-N 2.93Å; K140-G143 PolarHBondContact O-N 3.39Å; G143-R145 VanDerWaalsContact C-N 3.34Å; G143-R145 PolarHBondContact O-N 3.5Å; G143-K146 WeakPolarHBondContact O-CA 3.38Å; G143-K146 WeakPolarHBondContact O-CB 3.25Å; G143-K146 PolarHBondContact O-N 2.76Å; G143-A147 PolarHBondContact O-N 2.68Å
144	H	34.8	Very low	51.8	Low	151 Å²	151	110.1 Å²	110.1	70%	0.699	57%	0.571	S	S	*	*	H	α-helix	trans	-62.7	-39.1	175.4	-91	63.5	0	0	0	112.3	K140 K146 A147 G148	K140-H144 PolarHBondContact O-N 3.09Å; K140-H144 PolarHBondContact O-ND1 3.25Å; H144-K146 PolarHBondContact O-N 3.32Å; H144-A147 PolarHBondContact O-N 2.8Å; H144-G148 PolarHBondContact O-N 3.05Å; H144-G148 VanDerWaalsContact O-N 3.08Å
145	R	44.3	Very low	48.6	Very low	222 Å²	222	113.2 Å²	113.2	84%	0.838	60%	0.597	S	S	*	*	H	α-helix	trans	-62.3	-22.4	171.5	-72.3	-178.8	177.9	177.5	-0.5	113.4	K141 G143	K141-R145 PolarHBondContact O-N 2.95Å; G143-R145 VanDerWaalsContact C-N 3.34Å; G143-R145 PolarHBondContact O-N 3.5Å
146	K	37.5	Very low	45.4	Very low	178 Å²	178	121 Å²	121	77%	0.774	64%	0.637	S	S	*	*	H	α-helix	trans	-89.8	-28.7	177.8	-155.8	-179.6	179.9	-170.3	0	112.6	G143 H144	G143-K146 WeakPolarHBondContact O-CA 3.38Å; G143-K146 WeakPolarHBondContact O-CB 3.25Å; G143-K146 PolarHBondContact O-N 2.76Å; H144-K146 PolarHBondContact O-N 3.32Å
147	A	33.2	Very low	42.4	Very low	74 Å²	74	122.2 Å²	122.2	61%	0.612	66%	0.663	S	S	*	*	H	α-helix	trans	-83.6	-25.9	178.7	0	0	0	0	0	113.5	G143 H144 N149	G143-A147 PolarHBondContact O-N 2.68Å; H144-A147 PolarHBondContact O-N 2.8Å; A147-N149 PolarHBondContact O-N 2.82Å
148	G	32.5	Very low	39.5	Very low	56 Å²	56	127.5 Å²	127.5	58%	0.577	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-5.7	180	0	0	0	0	0	116.3	H144	H144-G148 PolarHBondContact O-N 3.05Å; H144-G148 VanDerWaalsContact O-N 3.08Å
149	N	34.6	Very low	37.1	Very low	130 Å²	130	129.9 Å²	129.9	70%	0.695	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	12	-179	-105.3	16.9	0	0	0	114.1	A147	A147-N149 PolarHBondContact O-N 2.82Å
150	A	34.8	Very low	35	Very low	86 Å²	86	132.9 Å²	132.9	71%	0.711	73%	0.731	S	S	*	*			trans	-109.4	58.9	177.3	0	0	0	0	0	111.8
151	T	29.8	Very low	33.2	Very low	129 Å²	129	135.9 Å²	135.9	79%	0.791	75%	0.747	S	S	*	*			trans	-111	90.1	166.9	19.6	0	0	0	0	110.3
152	R	30.3	Very low	31.6	Very low	213 Å²	213	134.7 Å²	134.7	80%	0.804	75%	0.752	S	S	*	*			trans	15.2	106.8	146.5	-109.9	176.5	175.2	177.5	1.4	116.9
153	A	25.3	Very low	30.3	Very low	105 Å²	105	133.4 Å²	133.4	87%	0.868	76%	0.759	S	S	*	*			trans	-104.6	105.6	146.9	0	0	0	0	0	108
154	K	25.5	Very low	29.4	Very low	171 Å²	171	136.6 Å²	136.6	74%	0.743	78%	0.775	S	S	*	*			trans	-82.7	118.9	165.8	-89.7	-179.8	170	-175.3	0	107
155	S	25.5	Very low	28.9	Very low	120 Å²	120	134.4 Å²	134.4	84%	0.839	78%	0.783	S	S	*	*			trans	-110.7	127.6	161.4	54.3	0	0	0	0	109.3
156	I	26.7	Very low	28	Very low	165 Å²	165	127.6 Å²	127.6	85%	0.846	78%	0.775	S	S	*	*			trans	-79.9	135.1	179	-64.2	160.6	0	0	0	108.2
157	A	24.7	Very low	27.4	Very low	100 Å²	100	128.8 Å²	128.8	83%	0.826	78%	0.783	S	S	*	*			trans	-149.3	127.6	160.3	0	0	0	0	0	109.6
158	E	22.9	Very low	27	Very low	183 Å²	183	132 Å²	132	86%	0.855	79%	0.789	S	S	*	*			trans	-100.9	169.9	175.7	-103.3	-160.1	-172.8	0	0	111
159	P	27.3	Very low	26.5	Very low	111 Å²	111	138.9 Å²	138.9	72%	0.721	81%	0.805	S	S	*	*			trans	-98.3	167.7	-137.3	38.7	-36.2	0	0	0	114.8
160	S	23.2	Very low	26	Very low	124 Å²	124	141 Å²	141	87%	0.867	81%	0.811	S	S	*	*			trans	-143	134.6	163.5	-44.8	0	0	0	0	110.1
161	E	23.6	Very low	25.6	Very low	198 Å²	198	145.2 Å²	145.2	93%	0.925	82%	0.816	S	S	*	*			trans	-75.3	162	-164.4	-65.7	175.6	140.8	0	0	115.7
162	V	25.8	Very low	25.2	Very low	125 Å²	125	146.9 Å²	146.9	76%	0.758	81%	0.814	S	S	*	*			trans	-84	170	-179.7	-142.1	0	0	0	0	111.1
163	P	31	Very low	24.8	Very low	123 Å²	123	144.6 Å²	144.6	80%	0.799	82%	0.818	S	S	*	*				-141.9	134	76.7	29	-7.7	0	0	0	113.6
164	S	24.4	Very low	25	Very low	104 Å²	104	145 Å²	145	73%	0.727	81%	0.811	S	S	*	*				63.8	113.5	82.4	-169.2	0	0	0	0	115.9
165	A	24.7	Very low	24.9	Very low	106 Å²	106	146 Å²	146	88%	0.876	82%	0.818	S	S	*	*			trans	-150	128.8	137.9	0	0	0	0	0	108.5
166	A	25.5	Very low	24.9	Very low	79 Å²	79	146.9 Å²	146.9	65%	0.653	82%	0.819	S	S	*	*			trans	-95.7	160.3	-172.1	0	0	0	0	0	111.9
167	E	23.5	Very low	24.7	Very low	202 Å²	202	145 Å²	145	94%	0.944	82%	0.815	S	S	*	*			trans	-154.1	133.2	140.1	-110	166	-161.9	0	0	109.5
168	I	25.8	Very low	24.8	Very low	143 Å²	143	145.8 Å²	145.8	73%	0.733	82%	0.815	S	S	*	*			trans	-114.9	136.3	-171.3	-68.9	167.7	0	0	0	107
169	E	22.7	Very low	25.3	Very low	199 Å²	199	142 Å²	142	93%	0.93	81%	0.806	S	S	*	*			trans	-138.7	124.4	149.2	-82.2	-167.4	155	0	0	110.4
170	Q	23.6	Very low	25.2	Very low	175 Å²	175	143.7 Å²	143.7	82%	0.818	81%	0.809	S	S	*	*			trans	-124.4	141.7	166.8	-80.1	-176.5	-13	0	0	108.1
171	H	25	Very low	25.3	Very low	175 Å²	175	145.8 Å²	145.8	81%	0.81	81%	0.81	S	S	*	*			trans	-153.9	111.8	153.4	-104.2	-75.5	0	0	0	106.2
172	E	23.1	Very low	25.4	Very low	163 Å²	163	143.6 Å²	143.6	76%	0.762	81%	0.805	S	S	*	*				80	135.2	77.4	-99.6	-168.1	155.5	0	0	115.4
173	L	21.7	Very low	25.4	Very low	166 Å²	166	144.9 Å²	144.9	87%	0.869	81%	0.808	S	S	*	*			trans	174.6	155.6	142.6	-95.5	160.8	0	0	0	110.7
174	P	29.5	Very low	25.2	Very low	113 Å²	113	142.7 Å²	142.7	73%	0.734	80%	0.8	S	S	*	*				-125.4	172.4	-98.6	40.6	-27.7	0	0	0	115.9
175	Q	23.1	Very low	25.2	Very low	191 Å²	191	147.7 Å²	147.7	89%	0.893	81%	0.808	S	S	*	*			trans	-82	152.6	168.5	-74.9	-177.7	-23	0	0	113
176	V	24.3	Very low	25.3	Very low	140 Å²	140	147.3 Å²	147.3	85%	0.848	81%	0.805	S	S	*	*			trans	-132.7	140.3	156.1	-178.5	0	0	0	0	110
177	T	23.7	Very low	25.2	Very low	125 Å²	125	152.9 Å²	152.9	77%	0.767	82%	0.818	S	S	*	*			trans	-67.6	153.6	-168.2	49.8	0	0	0	0	118.6
178	S	26.7	Very low	25.3	Very low	117 Å²	117	149.8 Å²	149.8	82%	0.818	81%	0.812	S	S	*	*				-175.2	159	111.1	62	0	0	0	0	112.7
179	P	32.9	Very low	25.5	Very low	104 Å²	104	149 Å²	149	68%	0.675	81%	0.814	S	S	*	*			trans	-118.9	171.6	-153.1	42.1	-28.9	0	0	0	116.8
180	D	24.7	Very low	25.8	Very low	145 Å²	145	145.5 Å²	145.5	78%	0.775	81%	0.809	S	S	*	*			trans	61.8	122.5	152.1	-54.9	-27.1	0	0	0	122.1
181	D	26.4	Very low	25.8	Very low	168 Å²	168	145.2 Å²	145.2	90%	0.898	81%	0.813	S	S	*	*				-167.1	142.5	111	-99.6	-26.6	0	0	0	112.9
182	D	25.2	Very low	25.9	Very low	152 Å²	152	141.8 Å²	141.8	81%	0.813	81%	0.809	S	S	*	*			trans	-57.3	152.2	-179.8	-87.1	-51.3	0	0	0	115.6
183	D	25.5	Very low	26.1	Very low	153 Å²	153	142.6 Å²	142.6	82%	0.818	81%	0.812	S	S	*	*				164.9	145	95.8	-147.5	-7.6	0	0	0	114.1
184	A	26.9	Very low	26.4	Very low	76 Å²	76	140.1 Å²	140.1	63%	0.628	81%	0.805	S	S	*	*			trans	67.9	102.6	150.5	0	0	0	0	0	124
185	K	25.1	Very low	26.4	Very low	210 Å²	210	146 Å²	146	91%	0.913	81%	0.812	S	S	*	*				37.2	123.7	122.6	-76.2	179.5	173.8	175.8	0	120.4
186	A	26.1	Very low	26.7	Very low	98 Å²	98	144.9 Å²	144.9	81%	0.81	81%	0.807	S	S	*	*				174.3	127.9	93.7	0	0	0	0	0	112
187	E	23.2	Very low	27	Very low	195 Å²	195	146.4 Å²	146.4	91%	0.911	81%	0.805	S	S	*	*			trans	-73.6	133.4	164.1	-68.1	176.4	134.9	0	0	110.5
188	V	26.6	Very low	27.3	Very low	138 Å²	138	147.1 Å²	147.1	84%	0.836	80%	0.804	S	S	*	*			trans	-141.4	129.8	147.8	-177.2	0	0	0	0	108.5
189	T	28.8	Very low	27.9	Very low	125 Å²	125	149.9 Å²	149.9	77%	0.767	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-60	159.5	178.2	39.5	0	0	0	0	114.4
190	P	29.8	Very low	28	Very low	126 Å²	126	153.4 Å²	153.4	82%	0.818	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-85.6	132.7	-174.4	34.1	-30.3	0	0	0	111.2
191	D	24.3	Very low	28.3	Very low	170 Å²	170	154.4 Å²	154.4	91%	0.909	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-99.3	137.8	166.1	-112.3	-22.5	0	0	0	110.9
192	S	26.4	Very low	28.8	Very low	103 Å²	103	151.3 Å²	151.3	72%	0.72	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-78.7	173.9	-179.9	-163.9	0	0	0	0	111
193	E	27.9	Very low	29.5	Very low	179 Å²	179	147.6 Å²	147.6	84%	0.836	81%	0.809	S	S	*	*			trans	87.2	130.4	174.3	-46.9	-173.7	169.4	0	0	113.9
194	T	26.9	Very low	30.2	Very low	115 Å²	115	146 Å²	146	71%	0.706	81%	0.807	S	S	*	*			cis	-152.5	134.1	28.1	-44.7	0	0	0	0	109.3	Q196	T194-Q196 PolarHBondContact O-N 3.32Å
195	R	30.1	Very low	31.1	Very low	236 Å²	236	151.5 Å²	151.5	89%	0.891	82%	0.82	S	S	*	*			trans	-69.2	109.4	162.5	-86.8	174.8	168.4	166.2	-3.4	108.3
196	Q	28.6	Very low	32.8	Very low	168 Å²	168	147.7 Å²	147.7	79%	0.785	81%	0.814	S	S	*	*			trans	-101.8	104.7	156	-105.9	158.6	-21.5	0	0	108.3	T194 D198	T194-Q196 PolarHBondContact O-N 3.32Å; Q196-D198 PolarHBondContact O-N 2.92Å
197	Q	30.4	Very low	35.1	Very low	172 Å²	172	151 Å²	151	80%	0.804	81%	0.81	S	S	*	*			trans	-72.2	101.8	161.9	-81.9	162.3	-49.5	0	0	107.2
198	D	29.8	Very low	38.1	Very low	139 Å²	139	147.5 Å²	147.5	74%	0.743	80%	0.797	S	S	*	*			trans	-91.2	105.4	156.6	-73.3	-30	0	0	0	107.9	Q196 E200	Q196-D198 PolarHBondContact O-N 2.92Å; D198-E200 VanDerWaalsContact C-N 3.27Å; D198-E200 PolarHBondContact O-N 3.17Å; D198-E200 VanDerWaalsContact O-N 3.08Å
199	L	40.2	Very low	41.3	Very low	175 Å²	175	143 Å²	143	92%	0.916	77%	0.768	S	S	*	*			trans	-64.3	89	160.4	-74.3	154.3	0	0	0	107.1
200	E	34.8	Very low	44.5	Very low	179 Å²	179	140 Å²	140	84%	0.836	74%	0.744	S	S	*	*			trans	-90.6	120.9	162.2	-77.7	-172	159.1	0	0	109.3	D198 A202	D198-E200 VanDerWaalsContact C-N 3.27Å; D198-E200 PolarHBondContact O-N 3.17Å; D198-E200 VanDerWaalsContact O-N 3.08Å; E200-A202 PolarHBondContact O-N 3.36Å
201	D	31.3	Very low	47.7	Very low	165 Å²	165	134.2 Å²	134.2	88%	0.882	71%	0.706	S	S	*	*			trans	-38.5	119.7	173.4	-97.6	-43.9	0	0	0	112.1	A203	D201-A203 PolarHBondContact O-N 2.74Å
202	A	37.4	Very low	51.2	Low	103 Å²	103	129.1 Å²	129.1	85%	0.851	67%	0.674	S	S	*	*			trans	-71.2	76.3	171.1	0	0	0	0	0	110.1	E200	E200-A202 PolarHBondContact O-N 3.36Å
203	A	38.6	Very low	54.6	Low	74 Å²	74	124.8 Å²	124.8	61%	0.612	64%	0.643	S	S	*	*			trans	-57.4	140.7	148.4	0	0	0	0	0	107.5	D201 E205	D201-A203 PolarHBondContact O-N 2.74Å; A203-E205 PolarHBondContact O-N 2.92Å
204	P	40.5	Very low	57.9	Low	120 Å²	120	118 Å²	118	78%	0.779	61%	0.614	S	S	*	*			trans	-60.3	109.6	178.4	24.7	-31.1	0	0	0	107.7	V206	P204-V206 PolarHBondContact O-N 3.43Å
205	E	46.7	Very low	61.2	Low	192 Å²	192	113.2 Å²	113.2	90%	0.897	59%	0.585	S	S	*	*			trans	-49.5	107.8	171.5	-90.9	-170.4	150.3	0	0	107	A203 K207	A203-E205 PolarHBondContact O-N 2.92Å; E205-K207 PolarHBondContact O-N 3.41Å
206	V	59.5	Low	64.2	Low	129 Å²	129	105.5 Å²	105.5	78%	0.782	56%	0.562	S	S	*	*			trans	-65.6	95.8	173.3	179.1	0	0	0	0	104.8	P204 L208	P204-V206 PolarHBondContact O-N 3.43Å; V206-L208 PolarHBondContact O-N 2.8Å
207	K	74.1	Confident	67.3	Low	167 Å²	167	101.6 Å²	101.6	73%	0.726	54%	0.54	S	S	*	.			trans	-56.2	105.3	-175.7	-171.4	170.9	-176.1	166.3	0	108.5	E205 I209	E205-K207 PolarHBondContact O-N 3.41Å; K207-I209 PolarHBondContact O-N 2.88Å; K207-I209 VanDerWaalsContact O-N 3.16Å
208	L	87.6	Confident	70.1	Confident	123 Å²	123	95.4 Å²	95.4	64%	0.644	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-58.7	119.5	-178	-70.9	168.6	0	0	0	108.8	V206 K210	V206-L208 PolarHBondContact O-N 2.8Å; L208-K210 PolarHBondContact O-N 3.02Å
209	I	93.3	Very high	72.8	Confident	44 Å²	44	89.7 Å²	89.7	23%	0.226	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-67.5	125.6	177	-66.5	176.2	0	0	0	108	K207 W243 K244 I252	K207-I209 PolarHBondContact O-N 2.88Å; K207-I209 VanDerWaalsContact O-N 3.16Å; I209-W243 HydrophobicContact CB-CG 4.12Å; I209-W243 HydrophobicContact CG2-CD2 3.93Å; I209-W243 HydrophobicContact CG2-CG 3.86Å; I209-K244 PolarHBondContact O-N 3.24Å; I209-I252 HydrophobicContact CG2-CD1 3.61Å; I209-I252 HydrophobicContact CG2-CG1 4.05Å
210	K	96.2	Very high	74.9	Confident	62 Å²	62	89.4 Å²	89.4	27%	0.27	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	143.2	173.1	-63.2	-178.2	173.1	-162.8	0	110.8	L208 K244 D246 K249 D251 I252	L208-K210 PolarHBondContact O-N 3.02Å; K210-K244 CarbonylContact C-O 3.51Å; K210-K244 WeakPolarHBondContact CA-O 3.37Å; K210-K244 HydrophobicContact CG-CB 4.49Å; K210-D246 HydrophobicContact CB-CB 4.16Å; K210-D246 HydrophobicContact CD-CB 4.05Å; K210-D246 HydrophobicContact CG-CB 4.47Å; K210-D246 IonicContact NZ-OD2 3.12Å; K210-D246 PolarHBondContact NZ-OD2 3.08Å; K210-K249 WeakPolarHBondContact CD-O 3.43Å; K210-D251 PolarHBondContact N-OD2 3.11Å; K210-D251 WeakPolarHBondContact O-CA 3.17Å; K210-D251 WeakPolarHBondContact O-CB 3.21Å; K210-D251 PolarHBondContact O-N 3.4Å; K210-I252 PolarHBondContact O-N 2.81Å; K210-I252 VanDerWaalsContact O-N 3.08Å
211	F	97.3	Very high	77.4	Confident	3 Å²	3	90.5 Å²	90.5	1%	0.013	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	163	-179.4	86.7	-67.4	0	0	0	113.5	V213 G234 V237 Q238 W243 K244 A245 D246 I252	F211-V213 HydrophobicContact CD2-CG2 4.32Å; F211-V213 HydrophobicContact CE2-CG2 3.84Å; F211-G234 WeakPolarHBondContact CZ-O 3.24Å; F211-V237 HydrophobicContact CD2-CG1 3.84Å; F211-V237 HydrophobicContact CE2-CB 3.85Å; F211-V237 HydrophobicContact CE2-CG1 3.43Å; F211-V237 VanDerWaalsContact CE2-CG1 3.43Å; F211-V237 HydrophobicContact CZ-CB 4.31Å; F211-V237 HydrophobicContact CZ-CG1 4.06Å; F211-Q238 HydrophobicContact CE1-CB 3.96Å; F211-Q238 HydrophobicContact CZ-CB 3.8Å; F211-W243 HydrophobicContact CB-CB 4.42Å; F211-W243 HydrophobicContact CB-CE3 3.8Å; F211-W243 HydrophobicContact CD1-CB 3.4Å; F211-W243 HydrophobicContact CD1-CE3 4.29Å; F211-W243 HydrophobicContact CD1-CG 4.47Å; F211-W243 HydrophobicContact CD2-CE3 4.17Å; F211-W243 HydrophobicContact CE1-CB 3.9Å; F211-W243 WeakPolarHBondContact CE1-O 3.37Å; F211-W243 HydrophobicContact CG-CB 4.09Å; F211-W243 AromaticContact CG-CE3 3.83Å; F211-W243 HydrophobicContact CG-CE3 3.83Å; F211-K244 PolarHBondContact N-O 3.16Å; F211-A245 HydrophobicContact CE1-CB 4.08Å; F211-A245 CarbonylContact O-C 3.54Å; F211-A245 WeakPolarHBondContact O-CA 3.32Å; F211-D246 PolarHBondContact O-N 3.16Å; F211-I252 CarbonylContact C-O 3.52Å; F211-I252 WeakPolarHBondContact CA-O 3.47Å; F211-I252 HydrophobicContact CB-CB 4.08Å; F211-I252 WeakPolarHBondContact CB-O 3.3Å
212	R	97.1	Very high	80.2	Confident	63 Å²	63	83.8 Å²	83.8	24%	0.238	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.8	163	73	170.2	-171.4	-161.3	-1.4	110.7	T214 M247 F250 I252 E253 V254	R212-T214 PolarHBondContact NE-OG1 3.35Å; R212-M247 HydrophobicContact CB-CE 4.14Å; R212-M247 HydrophobicContact CB-SD 3.91Å; R212-F250 HydrophobicContact CB-CB 4.47Å; R212-F250 HydrophobicContact CB-CD1 4.25Å; R212-F250 HydrophobicContact CB-CG 4.27Å; R212-F250 VanDerWaalsContact CD-CE1 3.41Å; R212-F250 HydrophobicContact CG-CB 4.45Å; R212-F250 HydrophobicContact CG-CD1 3.8Å; R212-F250 HydrophobicContact CG-CD2 3.99Å; R212-F250 HydrophobicContact CG-CE1 4.08Å; R212-F250 HydrophobicContact CG-CE2 4.22Å; R212-F250 HydrophobicContact CG-CG 3.78Å; R212-F250 HydrophobicContact CG-CZ 4.28Å; R212-F250 VanDerWaalsContact NE-CZ 3.29Å; R212-I252 PolarHBondContact N-O 3.11Å; R212-E253 HydrophobicContact CG-CB 4.12Å; R212-E253 HydrophobicContact CG-CG 4.19Å; R212-E253 IonicContact CZ-OE1 2.79Å; R212-E253 VanDerWaalsContact CZ-OE1 3.22Å; R212-E253 IonicContact CZ-OE2 2.7Å; R212-E253 IonicContact NE-OE1 3.37Å; R212-E253 PolarHBondContact NE-OE1 2.71Å; R212-E253 IonicContact NE-OE2 3.14Å; R212-E253 IonicContact NH2-OE1 2.71Å; R212-E253 PolarHBondContact NH2-OE1 2.91Å; R212-E253 IonicContact NH2-OE2 3.58Å; R212-E253 PolarHBondContact NH2-OE2 2.86Å; R212-V254 PolarHBondContact O-N 2.8Å
213	V	97.8	Very high	82.8	Confident	12 Å²	12	81.7 Å²	81.7	7%	0.073	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.7	164.3	-179.7	0	0	0	0	108.7	F211 A230 F233 G234 V254 L256	F211-V213 HydrophobicContact CD2-CG2 4.32Å; F211-V213 HydrophobicContact CE2-CG2 3.84Å; V213-A230 HydrophobicContact CB-CB 4.49Å; V213-A230 HydrophobicContact CG1-CB 4.13Å; V213-F233 HydrophobicContact CG1-CD1 3.93Å; V213-F233 HydrophobicContact CG2-CD1 4.28Å; V213-G234 VanDerWaalsContact CG2-CA 3.42Å; V213-V254 CarbonylContact C-O 3.51Å; V213-V254 VanDerWaalsContact CA-O 3.32Å; V213-V254 WeakPolarHBondContact CA-O 3.49Å; V213-V254 HydrophobicContact CG2-CB 4.22Å; V213-L256 HydrophobicContact CG1-CB 4.46Å
214	T	96.9	Very high	85.4	Confident	37 Å²	37	78.5 Å²	78.5	23%	0.227	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.4	171.5	-66.7	0	0	0	0	109	R212 E253 V254 L255 L256	R212-T214 PolarHBondContact NE-OG1 3.35Å; T214-E253 WeakPolarHBondContact CB-OE1 3.48Å; T214-E253 PolarHBondContact OG1-OE1 2.89Å; T214-V254 PolarHBondContact N-O 3.28Å; T214-L255 WeakPolarHBondContact O-CA 3.43Å; T214-L256 PolarHBondContact O-N 3.44Å
215	C	96.8	Very high	88	Confident	14 Å²	14	74.8 Å²	74.8	10%	0.095	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.7	175.7	-176.9	0	0	0	0	110.5	S226 A230 L256	C215-S226 WeakPolarHBondContact CB-O 3.23Å; C215-S226 WeakPolarHBondContact O-CB 3.42Å; C215-A230 HydrophobicContact CB-CB 3.76Å; C215-L256 CarbonylContact C-O 3.59Å; C215-L256 WeakPolarHBondContact CA-O 3.46Å; C215-L256 HydrophobicContact CB-CB 4.26Å; C215-L256 HydrophobicContact CB-CD2 4.46Å; C215-L256 PolarHBondContact SG-O 3.05Å
216	N	93.8	Very high	90.4	Very high	75 Å²	75	67.1 Å²	67.1	40%	0.401	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.3	169.2	-62.6	-55.8	0	0	0	108.3	L256 N257 I258	N216-L256 PolarHBondContact N-O 2.73Å; N216-N257 WeakPolarHBondContact CB-OD1 3.14Å; N216-N257 PolarHBondContact ND2-OD1 2.64Å; N216-N257 WeakPolarHBondContact O-CA 3.21Å; N216-I258 PolarHBondContact O-N 3.21Å
217	R	92.8	Very high	92.1	Very high	86 Å²	86	67.5 Å²	67.5	33%	0.325	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.3	-177.8	-166.6	178.1	64.1	67.1	-2.1	110.9	G219 H222 F224 S226 I258	R217-G219 PolarHBondContact NH1-O 2.82Å; R217-H222 VanDerWaalsContact CD-ND1 3.34Å; R217-H222 WeakPolarHBondContact CD-ND1 3.3Å; R217-H222 WeakPolarHBondContact CG-ND1 3.3Å; R217-H222 PolarHBondContact NH1-ND1 3.26Å; R217-F224 PolarHBondContact NE-O 3Å; R217-S226 WeakPolarHBondContact CB-OG 3.44Å; R217-I258 CarbonylContact C-O 3.6Å; R217-I258 VanDerWaalsContact CA-O 3.3Å; R217-I258 WeakPolarHBondContact CA-O 3.44Å; R217-I258 HydrophobicContact CG-CB 4.34Å; R217-I258 HydrophobicContact CG-CG2 4.4Å
218	A	89.4	Confident	93.1	Very high	42 Å²	42	62.1 Å²	62.1	35%	0.347	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.3	171.8	0	0	0	0	0	110	H222 I258 H259 N260	A218-H222 PolarHBondContact O-CE1 3.1Å; A218-H222 VanDerWaalsContact O-CE1 3.26Å; A218-I258 PolarHBondContact N-O 3.38Å; A218-H259 CarbonylContact O-C 3.6Å; A218-H259 VanDerWaalsContact O-CA 3.27Å; A218-H259 WeakPolarHBondContact O-CA 3.4Å; A218-N260 PolarHBondContact O-N 2.83Å
219	G	86.3	Confident	93.6	Very high	19 Å²	19	56.2 Å²	56.2	20%	0.196	30%	0.297	C	S	.	.			trans	121.6	153.3	-175.8	0	0	0	0	0	112.5	R217 N260	R217-G219 PolarHBondContact NH1-O 2.82Å; G219-N260 WeakPolarHBondContact CA-OD1 3.5Å
220	D	85	Confident	93.7	Very high	168 Å²	168	54.9 Å²	54.9	90%	0.898	29%	0.292	S	S	*	.	S	Bend	trans	-99.4	-6.3	-166.5	-54.7	-29.3	0	0	0	113.2
221	K	86.7	Confident	93.7	Very high	202 Å²	202	59.9 Å²	59.9	88%	0.878	31%	0.309	S	S	*	.			trans	-98.4	0.8	-171.8	-62.3	-177	-179.6	179.4	0	114.4
222	H	90.8	Very high	93.7	Very high	25 Å²	25	61 Å²	61	12%	0.116	32%	0.315	C	S	.	.			trans	-84.6	129.9	-176.2	-53.9	136.6	0	0	0	111.5	F105 R217 A218 F224 N260	F105-H222 AromaticContact CE2-NE2 3.97Å; R217-H222 VanDerWaalsContact CD-ND1 3.34Å; R217-H222 WeakPolarHBondContact CD-ND1 3.3Å; R217-H222 WeakPolarHBondContact CG-ND1 3.3Å; R217-H222 PolarHBondContact NH1-ND1 3.26Å; A218-H222 PolarHBondContact O-CE1 3.1Å; A218-H222 VanDerWaalsContact O-CE1 3.26Å; H222-F224 VanDerWaalsContact C-N 3.26Å; H222-F224 HydrophobicContact CB-CD1 4.29Å; H222-F224 HydrophobicContact CB-CE1 4Å; H222-F224 HydrophobicContact CB-CZ 4.2Å; H222-F224 PolarHBondContact O-N 2.9Å; H222-N260 PolarHBondContact NE2-O 3.36Å
223	S	92.3	Very high	93.7	Very high	58 Å²	58	58 Å²	58	41%	0.406	30%	0.304	S	S	.	.	S	Bend	trans	-82.5	2.5	176.9	56.3	0	0	0	0	114.1	K109	K109-S223 WeakPolarHBondContact CA-OG 3.4Å; K109-S223 WeakPolarHBondContact CD-O 3.37Å; K109-S223 WeakPolarHBondContact CG-O 3.16Å
224	F	93.7	Very high	93.7	Very high	7 Å²	7	57.8 Å²	57.8	3%	0.031	31%	0.305	C	S	.	.	S	Bend	trans	-129.4	158.5	-175.7	59.8	-89.2	0	0	0	112.6	F105 K109 T112 L113 L116 R217 H222 A229 I258	F105-F224 AromaticContact CD1-CE1 3.85Å; F105-F224 HydrophobicContact CD1-CE1 3.85Å; F105-F224 HydrophobicContact CD1-CZ 4.15Å; F105-F224 AromaticContact CE1-CE1 4Å; F105-F224 HydrophobicContact CE1-CE1 4Å; F105-F224 AromaticContact CE1-CZ 3.8Å; F105-F224 HydrophobicContact CE1-CZ 3.8Å; K109-F224 HydrophobicContact CG-CB 4.17Å; T112-F224 HydrophobicContact CG2-CD1 3.81Å; T112-F224 HydrophobicContact CG2-CE1 3.56Å; T112-F224 HydrophobicContact CG2-CZ 4.46Å; L113-F224 HydrophobicContact CD1-CB 4.47Å; L113-F224 HydrophobicContact CD2-CB 4.12Å; L113-F224 HydrophobicContact CD2-CD2 4.48Å; L113-F224 HydrophobicContact CD2-CG 4.28Å; L113-F224 HydrophobicContact CG-CB 4.4Å; L116-F224 HydrophobicContact CD1-CZ 4.42Å; R217-F224 PolarHBondContact NE-O 3Å; H222-F224 VanDerWaalsContact C-N 3.26Å; H222-F224 HydrophobicContact CB-CD1 4.29Å; H222-F224 HydrophobicContact CB-CE1 4Å; H222-F224 HydrophobicContact CB-CZ 4.2Å; H222-F224 PolarHBondContact O-N 2.9Å; F224-A229 HydrophobicContact CD2-CB 3.79Å; F224-A229 HydrophobicContact CE2-CB 3.83Å; F224-I258 HydrophobicContact CE2-CD1 3.74Å; F224-I258 HydrophobicContact CZ-CD1 3.85Å
225	S	94.9	Very high	93.6	Very high	42 Å²	42	57.7 Å²	57.7	29%	0.294	31%	0.311	S	S	.	.			trans	-90.2	158.8	173.6	70.9	0	0	0	0	112.4	N227 E228 A229	S225-N227 PolarHBondContact O-N 2.66Å; S225-E228 WeakPolarHBondContact CB-OE2 3.43Å; S225-E228 PolarHBondContact N-OE2 3.37Å; S225-E228 PolarHBondContact O-N 2.79Å; S225-E228 WeakPolarHBondContact OG-CG 3.41Å; S225-E228 PolarHBondContact OG-N 3.24Å; S225-E228 PolarHBondContact OG-OE2 3.09Å; S225-A229 PolarHBondContact O-N 3.03Å; S225-A229 VanDerWaalsContact O-N 3.13Å
226	S	95.5	Very high	93.6	Very high	31 Å²	31	57.5 Å²	57.5	22%	0.217	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-37.2	174.8	-50.2	0	0	0	0	112.3	C215 R217 A230	C215-S226 WeakPolarHBondContact CB-O 3.23Å; C215-S226 WeakPolarHBondContact O-CB 3.42Å; R217-S226 WeakPolarHBondContact CB-OG 3.44Å; S226-A230 VanDerWaalsContact O-CB 3.28Å; S226-A230 WeakPolarHBondContact O-CB 3.4Å; S226-A230 PolarHBondContact O-N 2.82Å
227	N	95.9	Very high	93.7	Very high	137 Å²	137	54 Å²	54	73%	0.733	29%	0.292	S	S	*	.	H	α-helix	trans	-68.7	-38.1	-178.4	-68.2	-8.8	0	0	0	111.6	S225 R231	S225-N227 PolarHBondContact O-N 2.66Å; N227-R231 VanDerWaalsContact O-CB 3.25Å; N227-R231 WeakPolarHBondContact O-CB 3.44Å; N227-R231 PolarHBondContact O-N 2.95Å
228	E	96.1	Very high	93.9	Very high	54 Å²	54	54.1 Å²	54.1	25%	0.252	30%	0.296	S	S	.	.	H	α-helix	trans	-66.2	-48.6	176.1	-70.5	162.4	146.2	0	0	111.1	K109 L113 S225 A230 R231 D232	K109-E228 VanDerWaalsContact CE-OE1 3.32Å; K109-E228 WeakPolarHBondContact CE-OE1 3.45Å; K109-E228 WeakPolarHBondContact CE-OE2 3.21Å; K109-E228 VanDerWaalsContact NZ-CD 3.32Å; K109-E228 IonicContact NZ-OE1 2.83Å; K109-E228 PolarHBondContact NZ-OE1 3.13Å; K109-E228 IonicContact NZ-OE2 3.61Å; L113-E228 HydrophobicContact CD1-CB 4.35Å; L113-E228 HydrophobicContact CD2-CB 4.39Å; S225-E228 WeakPolarHBondContact CB-OE2 3.43Å; S225-E228 PolarHBondContact N-OE2 3.37Å; S225-E228 PolarHBondContact O-N 2.79Å; S225-E228 WeakPolarHBondContact OG-CG 3.41Å; S225-E228 PolarHBondContact OG-N 3.24Å; S225-E228 PolarHBondContact OG-OE2 3.09Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 3.04Å; E228-R231 PolarHBondContact O-N 2.93Å; E228-D232 PolarHBondContact O-N 2.8Å
229	A	96.3	Very high	94.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.8	-42.6	175.8	0	0	0	0	0	112	L113 L116 F224 S225 F233 L256	L113-A229 HydrophobicContact CD2-CB 4.33Å; L116-A229 HydrophobicContact CD1-CB 4.28Å; F224-A229 HydrophobicContact CD2-CB 3.79Å; F224-A229 HydrophobicContact CE2-CB 3.83Å; S225-A229 PolarHBondContact O-N 3.03Å; S225-A229 VanDerWaalsContact O-N 3.13Å; A229-F233 WeakPolarHBondContact O-CB 3.48Å; A229-F233 PolarHBondContact O-N 3.42Å; A229-L256 HydrophobicContact CB-CD2 4.03Å
230	A	96.9	Very high	94.5	Very high	16 Å²	16	62.6 Å²	62.6	13%	0.132	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-40.5	176.3	0	0	0	0	0	112.6	V213 C215 S226 E228 G234	V213-A230 HydrophobicContact CB-CB 4.49Å; V213-A230 HydrophobicContact CG1-CB 4.13Å; C215-A230 HydrophobicContact CB-CB 3.76Å; S226-A230 VanDerWaalsContact O-CB 3.28Å; S226-A230 WeakPolarHBondContact O-CB 3.4Å; S226-A230 PolarHBondContact O-N 2.82Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 3.04Å; A230-G234 WeakPolarHBondContact O-CA 3.24Å; A230-G234 PolarHBondContact O-N 3.02Å
231	R	96.5	Very high	95	Very high	166 Å²	166	56.8 Å²	56.8	63%	0.626	29%	0.289	S	S	*	.	H	α-helix	trans	-64.6	-50.1	178.6	179.6	-166.6	67	142.5	0.9	111	N227 E228 G234 G235	N227-R231 VanDerWaalsContact O-CB 3.25Å; N227-R231 WeakPolarHBondContact O-CB 3.44Å; N227-R231 PolarHBondContact O-N 2.95Å; E228-R231 PolarHBondContact O-N 2.93Å; R231-G234 PolarHBondContact O-N 3.38Å; R231-G235 PolarHBondContact O-N 2.69Å
232	D	96.3	Very high	95.4	Very high	26 Å²	26	54 Å²	54	14%	0.139	28%	0.279	C	S	.	.	H	α-helix	trans	-74.9	-43.8	-171.5	-62.6	-1.9	0	0	0	110.4	L113 E228 G234 G235 A236	L113-D232 WeakPolarHBondContact CD1-OD2 3.46Å; E228-D232 PolarHBondContact O-N 2.8Å; D232-G234 VanDerWaalsContact C-N 3.29Å; D232-G234 PolarHBondContact O-N 2.88Å; D232-G235 PolarHBondContact O-N 3.5Å; D232-A236 PolarHBondContact O-N 2.77Å
233	F	97.3	Very high	95.6	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-40.1	170.5	-169.2	-102.8	0	0	0	111.6	L116 L119 A120 L123 W125 V213 A229 A236 V237 V254 L256 I265	L116-F233 VanDerWaalsContact O-CD2 3.25Å; L116-F233 WeakPolarHBondContact O-CD2 3.42Å; L119-F233 HydrophobicContact CB-CE2 4.49Å; A120-F233 HydrophobicContact CB-CD2 4.37Å; A120-F233 HydrophobicContact CB-CE2 3.95Å; A120-F233 HydrophobicContact CB-CZ 4.31Å; L123-F233 HydrophobicContact CD1-CE2 4.14Å; L123-F233 HydrophobicContact CD1-CZ 3.73Å; W125-F233 HydrophobicContact CH2-CE1 4.33Å; W125-F233 HydrophobicContact CH2-CZ 4.24Å; W125-F233 HydrophobicContact CZ2-CZ 4.22Å; V213-F233 HydrophobicContact CG1-CD1 3.93Å; V213-F233 HydrophobicContact CG2-CD1 4.28Å; A229-F233 WeakPolarHBondContact O-CB 3.48Å; A229-F233 PolarHBondContact O-N 3.42Å; F233-A236 WeakPolarHBondContact O-CB 3.45Å; F233-A236 PolarHBondContact O-N 2.78Å; F233-V237 HydrophobicContact CD1-CG2 4.01Å; F233-V237 HydrophobicContact CE1-CG2 3.77Å; F233-V237 HydrophobicContact CZ-CG2 4.26Å; F233-V237 WeakPolarHBondContact O-CG2 3.34Å; F233-V237 PolarHBondContact O-N 3.32Å; F233-V254 HydrophobicContact CE1-CG1 3.85Å; F233-L256 HydrophobicContact CB-CD2 4.06Å; F233-L256 HydrophobicContact CD1-CD2 4.48Å; F233-L256 HydrophobicContact CG-CD2 4.14Å; F233-I265 HydrophobicContact CE1-CG2 4.3Å; F233-I265 HydrophobicContact CZ-CG1 4.3Å; F233-I265 HydrophobicContact CZ-CG2 4.05Å
234	G	96.8	Very high	95.7	Very high	9 Å²	9	57.1 Å²	57.1	9%	0.093	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-39.3	176.2	0	0	0	0	0	113.5	F211 V213 A230 R231 D232 A236 V237 Q238	F211-G234 WeakPolarHBondContact CZ-O 3.24Å; V213-G234 VanDerWaalsContact CG2-CA 3.42Å; A230-G234 WeakPolarHBondContact O-CA 3.24Å; A230-G234 PolarHBondContact O-N 3.02Å; R231-G234 PolarHBondContact O-N 3.38Å; D232-G234 VanDerWaalsContact C-N 3.29Å; D232-G234 PolarHBondContact O-N 2.88Å; G234-A236 VanDerWaalsContact C-N 3.33Å; G234-A236 PolarHBondContact O-N 3.32Å; G234-V237 PolarHBondContact O-N 3.24Å; G234-Q238 WeakPolarHBondContact O-CB 3.33Å; G234-Q238 PolarHBondContact O-N 3.26Å
235	G	96.5	Very high	95.8	Very high	35 Å²	35	58.8 Å²	58.8	36%	0.361	30%	0.299	S	S	.	.	H	α-helix	trans	-58.2	-45.6	172.5	0	0	0	0	0	111.8	R231 D232 Q238 E239	R231-G235 PolarHBondContact O-N 2.69Å; D232-G235 PolarHBondContact O-N 3.5Å; G235-Q238 WeakPolarHBondContact O-CB 3.45Å; G235-Q238 PolarHBondContact O-N 3.26Å; G235-E239 PolarHBondContact O-N 3.37Å
236	A	96.2	Very high	95.8	Very high	9 Å²	9	58.2 Å²	58.2	7%	0.074	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-42.4	177.2	0	0	0	0	0	113.2	Q117 A120 D232 F233 G234 Q238 E239 F240	Q117-A236 HydrophobicContact CB-CB 4.44Å; Q117-A236 HydrophobicContact CG-CB 3.61Å; Q117-A236 WeakPolarHBondContact O-CB 3.45Å; A120-A236 HydrophobicContact CB-CB 3.46Å; A120-A236 VanDerWaalsContact CB-CB 3.46Å; D232-A236 PolarHBondContact O-N 2.77Å; F233-A236 WeakPolarHBondContact O-CB 3.45Å; F233-A236 PolarHBondContact O-N 2.78Å; G234-A236 VanDerWaalsContact C-N 3.33Å; G234-A236 PolarHBondContact O-N 3.32Å; A236-Q238 VanDerWaalsContact C-N 3.31Å; A236-Q238 PolarHBondContact O-N 3.16Å; A236-E239 PolarHBondContact O-N 2.92Å; A236-F240 WeakPolarHBondContact O-CB 3.13Å; A236-F240 PolarHBondContact O-N 3.23Å
237	V	96.4	Very high	95.6	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-40.6	175.7	171.9	0	0	0	0	110.5	A120 W125 F211 F233 G234 F240 F241 W243	A120-V237 HydrophobicContact CB-CG2 4.04Å; W125-V237 HydrophobicContact CH2-CG2 4.42Å; W125-V237 HydrophobicContact CZ2-CG2 4.22Å; F211-V237 HydrophobicContact CD2-CG1 3.84Å; F211-V237 HydrophobicContact CE2-CB 3.85Å; F211-V237 HydrophobicContact CE2-CG1 3.43Å; F211-V237 VanDerWaalsContact CE2-CG1 3.43Å; F211-V237 HydrophobicContact CZ-CB 4.31Å; F211-V237 HydrophobicContact CZ-CG1 4.06Å; F233-V237 HydrophobicContact CD1-CG2 4.01Å; F233-V237 HydrophobicContact CE1-CG2 3.77Å; F233-V237 HydrophobicContact CZ-CG2 4.26Å; F233-V237 WeakPolarHBondContact O-CG2 3.34Å; F233-V237 PolarHBondContact O-N 3.32Å; G234-V237 PolarHBondContact O-N 3.24Å; V237-F240 PolarHBondContact O-N 3.27Å; V237-F241 HydrophobicContact CG1-CD2 3.87Å; V237-F241 HydrophobicContact CG1-CE2 4.4Å; V237-F241 WeakPolarHBondContact O-CB 3.18Å; V237-F241 PolarHBondContact O-N 3.39Å; V237-W243 HydrophobicContact CG1-CE3 4.14Å; V237-W243 HydrophobicContact CG1-CZ3 4.12Å
238	Q	96	Very high	95.3	Very high	90 Å²	90	61 Å²	61	42%	0.421	31%	0.307	S	S	.	.	H	α-helix	trans	-63.2	-44.6	174.9	173.9	167.5	-15.4	0	0	111.7	F211 G234 G235 A236 Q242 W243	F211-Q238 HydrophobicContact CE1-CB 3.96Å; F211-Q238 HydrophobicContact CZ-CB 3.8Å; G234-Q238 WeakPolarHBondContact O-CB 3.33Å; G234-Q238 PolarHBondContact O-N 3.26Å; G235-Q238 WeakPolarHBondContact O-CB 3.45Å; G235-Q238 PolarHBondContact O-N 3.26Å; A236-Q238 VanDerWaalsContact C-N 3.31Å; A236-Q238 PolarHBondContact O-N 3.16Å; Q238-Q242 WeakPolarHBondContact O-CA 3.27Å; Q238-Q242 PolarHBondContact O-N 3.03Å; Q238-W243 WeakPolarHBondContact CG-O 3.46Å
239	E	94.9	Very high	95.1	Very high	137 Å²	137	65.9 Å²	65.9	64%	0.64	33%	0.328	S	S	*	.	H	α-helix	trans	-64.7	-40.9	178.3	-174.8	170.7	-160.7	0	0	112	G235 A236 Q242	G235-E239 PolarHBondContact O-N 3.37Å; A236-E239 PolarHBondContact O-N 2.92Å; E239-Q242 PolarHBondContact O-NE2 3.08Å
240	F	94.6	Very high	95	Very high	102 Å²	102	68.6 Å²	68.6	45%	0.447	34%	0.339	S	S	.	.	H	α-helix	trans	-71.2	-43.5	-179.1	-174.3	-105.2	0	0	0	113.2	W125 A236 V237	W125-F240 AromaticContact CD1-CE1 3.95Å; A236-F240 WeakPolarHBondContact O-CB 3.13Å; A236-F240 PolarHBondContact O-N 3.23Å; V237-F240 PolarHBondContact O-N 3.27Å
241	F	94.7	Very high	94.9	Very high	45 Å²	45	69.7 Å²	69.7	20%	0.197	34%	0.343	C	S	.	.	H	α-helix	trans	-101.1	-12.4	-175.3	-72.6	-68.1	0	0	0	115.2	W125 L129 V237 W243	W125-F241 HydrophobicContact CB-CZ 3.75Å; W125-F241 AromaticContact CD1-CE2 3.95Å; W125-F241 AromaticContact CD1-CZ 3.58Å; W125-F241 AromaticContact CD2-CE2 3.88Å; W125-F241 HydrophobicContact CD2-CE2 3.88Å; W125-F241 AromaticContact CD2-CZ 3.85Å; W125-F241 HydrophobicContact CD2-CZ 3.85Å; W125-F241 AromaticContact CE2-CE2 3.86Å; W125-F241 HydrophobicContact CE3-CE2 4.47Å; W125-F241 AromaticContact CG-CE2 3.96Å; W125-F241 HydrophobicContact CG-CE2 3.96Å; W125-F241 AromaticContact CG-CZ 3.46Å; W125-F241 HydrophobicContact CG-CZ 3.46Å; W125-F241 VanDerWaalsContact CG-CZ 3.46Å; W125-F241 HydrophobicContact CZ2-CE2 4.45Å; W125-F241 AromaticContact NE1-CE2 3.86Å; W125-F241 AromaticContact NE1-CZ 3.99Å; L129-F241 HydrophobicContact CD1-CE1 3.77Å; L129-F241 HydrophobicContact CD1-CZ 3.89Å; V237-F241 HydrophobicContact CG1-CD2 3.87Å; V237-F241 HydrophobicContact CG1-CE2 4.4Å; V237-F241 WeakPolarHBondContact O-CB 3.18Å; V237-F241 PolarHBondContact O-N 3.39Å; F241-W243 HydrophobicContact CB-CB 4.49Å; F241-W243 HydrophobicContact CB-CD2 3.56Å; F241-W243 HydrophobicContact CB-CE3 4.07Å; F241-W243 HydrophobicContact CB-CG 3.75Å; F241-W243 HydrophobicContact CB-CH2 4.39Å; F241-W243 HydrophobicContact CB-CZ2 3.97Å; F241-W243 HydrophobicContact CB-CZ3 4.46Å; F241-W243 AromaticContact CD1-CE2 3.98Å; F241-W243 HydrophobicContact CD1-CH2 4.03Å; F241-W243 AromaticContact CD1-CZ2 3.6Å; F241-W243 HydrophobicContact CD1-CZ2 3.6Å; F241-W243 HydrophobicContact CD2-CD2 4.4Å; F241-W243 HydrophobicContact CD2-CE3 4.14Å; F241-W243 AromaticContact CD2-CH2 3.7Å; F241-W243 HydrophobicContact CD2-CH2 3.7Å; F241-W243 HydrophobicContact CD2-CZ2 4.03Å; F241-W243 AromaticContact CD2-CZ3 3.78Å; F241-W243 HydrophobicContact CD2-CZ3 3.78Å; F241-W243 HydrophobicContact CE1-CH2 4.19Å; F241-W243 HydrophobicContact CE1-CZ2 4.03Å; F241-W243 AromaticContact CE2-CH2 3.85Å; F241-W243 HydrophobicContact CE2-CH2 3.85Å; F241-W243 HydrophobicContact CE2-CZ2 4.41Å; F241-W243 HydrophobicContact CE2-CZ3 4.17Å; F241-W243 HydrophobicContact CG-CD2 4.03Å; F241-W243 AromaticContact CG-CE2 3.71Å; F241-W243 HydrophobicContact CG-CE3 4.23Å; F241-W243 AromaticContact CG-CH2 3.78Å; F241-W243 HydrophobicContact CG-CH2 3.78Å; F241-W243 AromaticContact CG-CZ2 3.6Å; F241-W243 HydrophobicContact CG-CZ2 3.6Å; F241-W243 HydrophobicContact CG-CZ3 4.12Å; F241-W243 HydrophobicContact CZ-CH2 4.09Å; F241-W243 HydrophobicContact CZ-CZ2 4.4Å; F241-W243 PolarHBondContact O-N 3.44Å
242	Q	94.8	Very high	94.8	Very high	144 Å²	144	61.8 Å²	61.8	67%	0.673	31%	0.314	S	S	*	.			trans	56.8	28.1	-172.4	-57.4	-66.2	-43	0	0	113.1	Q238 E239	Q238-Q242 WeakPolarHBondContact O-CA 3.27Å; Q238-Q242 PolarHBondContact O-N 3.03Å; E239-Q242 PolarHBondContact O-NE2 3.08Å
243	W	95.4	Very high	94.9	Very high	24 Å²	24	61.7 Å²	61.7	9%	0.091	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-77.1	149.7	174.8	-64.9	-15.2	0	0	0	111.6	L129 I209 F211 V237 Q238 F241 I252	L129-W243 HydrophobicContact CD1-CH2 4.4Å; L129-W243 HydrophobicContact CD1-CZ2 4.44Å; L129-W243 HydrophobicContact CD2-CH2 3.65Å; L129-W243 HydrophobicContact CD2-CZ2 4.01Å; I209-W243 HydrophobicContact CB-CG 4.12Å; I209-W243 HydrophobicContact CG2-CD2 3.93Å; I209-W243 HydrophobicContact CG2-CG 3.86Å; F211-W243 HydrophobicContact CB-CB 4.42Å; F211-W243 HydrophobicContact CB-CE3 3.8Å; F211-W243 HydrophobicContact CD1-CB 3.4Å; F211-W243 HydrophobicContact CD1-CE3 4.29Å; F211-W243 HydrophobicContact CD1-CG 4.47Å; F211-W243 HydrophobicContact CD2-CE3 4.17Å; F211-W243 HydrophobicContact CE1-CB 3.9Å; F211-W243 WeakPolarHBondContact CE1-O 3.37Å; F211-W243 HydrophobicContact CG-CB 4.09Å; F211-W243 AromaticContact CG-CE3 3.83Å; F211-W243 HydrophobicContact CG-CE3 3.83Å; V237-W243 HydrophobicContact CG1-CE3 4.14Å; V237-W243 HydrophobicContact CG1-CZ3 4.12Å; Q238-W243 WeakPolarHBondContact CG-O 3.46Å; F241-W243 HydrophobicContact CB-CB 4.49Å; F241-W243 HydrophobicContact CB-CD2 3.56Å; F241-W243 HydrophobicContact CB-CE3 4.07Å; F241-W243 HydrophobicContact CB-CG 3.75Å; F241-W243 HydrophobicContact CB-CH2 4.39Å; F241-W243 HydrophobicContact CB-CZ2 3.97Å; F241-W243 HydrophobicContact CB-CZ3 4.46Å; F241-W243 AromaticContact CD1-CE2 3.98Å; F241-W243 HydrophobicContact CD1-CH2 4.03Å; F241-W243 AromaticContact CD1-CZ2 3.6Å; F241-W243 HydrophobicContact CD1-CZ2 3.6Å; F241-W243 HydrophobicContact CD2-CD2 4.4Å; F241-W243 HydrophobicContact CD2-CE3 4.14Å; F241-W243 AromaticContact CD2-CH2 3.7Å; F241-W243 HydrophobicContact CD2-CH2 3.7Å; F241-W243 HydrophobicContact CD2-CZ2 4.03Å; F241-W243 AromaticContact CD2-CZ3 3.78Å; F241-W243 HydrophobicContact CD2-CZ3 3.78Å; F241-W243 HydrophobicContact CE1-CH2 4.19Å; F241-W243 HydrophobicContact CE1-CZ2 4.03Å; F241-W243 AromaticContact CE2-CH2 3.85Å; F241-W243 HydrophobicContact CE2-CH2 3.85Å; F241-W243 HydrophobicContact CE2-CZ2 4.41Å; F241-W243 HydrophobicContact CE2-CZ3 4.17Å; F241-W243 HydrophobicContact CG-CD2 4.03Å; F241-W243 AromaticContact CG-CE2 3.71Å; F241-W243 HydrophobicContact CG-CE3 4.23Å; F241-W243 AromaticContact CG-CH2 3.78Å; F241-W243 HydrophobicContact CG-CH2 3.78Å; F241-W243 AromaticContact CG-CZ2 3.6Å; F241-W243 HydrophobicContact CG-CZ2 3.6Å; F241-W243 HydrophobicContact CG-CZ3 4.12Å; F241-W243 HydrophobicContact CZ-CH2 4.09Å; F241-W243 HydrophobicContact CZ-CZ2 4.4Å; F241-W243 PolarHBondContact O-N 3.44Å; W243-I252 HydrophobicContact CD2-CD1 4.38Å; W243-I252 HydrophobicContact CE3-CD1 4.23Å; W243-I252 HydrophobicContact CH2-CD1 3.63Å; W243-I252 HydrophobicContact CZ2-CD1 3.75Å; W243-I252 HydrophobicContact CZ3-CD1 3.86Å; W243-I252 HydrophobicContact CZ3-CG2 4.17Å
244	K	94.9	Very high	94.9	Very high	124 Å²	124	61.7 Å²	61.7	54%	0.539	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.2	178.2	-175.3	171.9	-177.9	170.1	0	110.7	I209 K210 F211 D246	I209-K244 PolarHBondContact O-N 3.24Å; K210-K244 CarbonylContact C-O 3.51Å; K210-K244 WeakPolarHBondContact CA-O 3.37Å; K210-K244 HydrophobicContact CG-CB 4.49Å; F211-K244 PolarHBondContact N-O 3.16Å; K244-D246 PolarHBondContact O-N 3.36Å
245	A	95.4	Very high	95	Very high	42 Å²	42	62.1 Å²	62.1	35%	0.347	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	128.9	173.9	0	0	0	0	0	111.3	F211 M247	F211-A245 HydrophobicContact CE1-CB 4.08Å; F211-A245 CarbonylContact O-C 3.54Å; F211-A245 WeakPolarHBondContact O-CA 3.32Å; A245-M247 HydrophobicContact CB-CE 4.03Å
246	D	94.9	Very high	95	Very high	30 Å²	30	60.5 Å²	60.5	16%	0.16	30%	0.295	C	S	.	.			trans	-147.2	108.2	174.1	-167.9	-34.9	0	0	0	109.2	K210 F211 K244 T248 K249 F250	K210-D246 HydrophobicContact CB-CB 4.16Å; K210-D246 HydrophobicContact CD-CB 4.05Å; K210-D246 HydrophobicContact CG-CB 4.47Å; K210-D246 IonicContact NZ-OD2 3.12Å; K210-D246 PolarHBondContact NZ-OD2 3.08Å; F211-D246 PolarHBondContact O-N 3.16Å; K244-D246 PolarHBondContact O-N 3.36Å; D246-T248 PolarHBondContact O-N 3.35Å; D246-T248 PolarHBondContact OD1-N 2.54Å; D246-T248 PolarHBondContact OD1-OG1 3.14Å; D246-K249 VanDerWaalsContact CG-O 3.27Å; D246-K249 PolarHBondContact OD1-N 2.83Å; D246-F250 WeakPolarHBondContact O-CB 3.5Å
247	M	91.6	Very high	95	Very high	114 Å²	114	60.3 Å²	60.3	56%	0.562	29%	0.293	S	S	*	.	S	Bend	trans	-74.3	-10.1	-175.3	-59.4	-57.4	125.9	0	0	113.4	R212 A245	R212-M247 HydrophobicContact CB-CE 4.14Å; R212-M247 HydrophobicContact CB-SD 3.91Å; A245-M247 HydrophobicContact CB-CE 4.03Å
248	T	89.8	Confident	94.8	Very high	112 Å²	112	60.4 Å²	60.4	69%	0.687	29%	0.293	S	S	*	.	S	Bend	trans	-114.8	-44.6	-173.2	64.1	0	0	0	0	112.9	D246	D246-T248 PolarHBondContact O-N 3.35Å; D246-T248 PolarHBondContact OD1-N 2.54Å; D246-T248 PolarHBondContact OD1-OG1 3.14Å
249	K	91.1	Very high	94.6	Very high	157 Å²	157	58.4 Å²	58.4	68%	0.683	28%	0.284	S	S	*	.	S	Bend	trans	-126.2	75.7	-175	-66.1	-179.9	-177.1	175.6	0	109.3	K210 D246	K210-K249 WeakPolarHBondContact CD-O 3.43Å; D246-K249 VanDerWaalsContact CG-O 3.27Å; D246-K249 PolarHBondContact OD1-N 2.83Å
250	F	94.1	Very high	94.4	Very high	57 Å²	57	55.3 Å²	55.3	25%	0.25	27%	0.272	C	S	.	.			trans	-104.3	153.5	178.4	51.9	-83	0	0	0	111.5	R212 D246 E253	R212-F250 HydrophobicContact CB-CB 4.47Å; R212-F250 HydrophobicContact CB-CD1 4.25Å; R212-F250 HydrophobicContact CB-CG 4.27Å; R212-F250 VanDerWaalsContact CD-CE1 3.41Å; R212-F250 HydrophobicContact CG-CB 4.45Å; R212-F250 HydrophobicContact CG-CD1 3.8Å; R212-F250 HydrophobicContact CG-CD2 3.99Å; R212-F250 HydrophobicContact CG-CE1 4.08Å; R212-F250 HydrophobicContact CG-CE2 4.22Å; R212-F250 HydrophobicContact CG-CG 3.78Å; R212-F250 HydrophobicContact CG-CZ 4.28Å; R212-F250 VanDerWaalsContact NE-CZ 3.29Å; D246-F250 WeakPolarHBondContact O-CB 3.5Å; F250-E253 HydrophobicContact CD2-CB 3.98Å; F250-E253 HydrophobicContact CE2-CB 3.68Å
251	D	94.1	Very high	94.2	Very high	40 Å²	40	53.9 Å²	53.9	21%	0.214	27%	0.269	C	S	.	.	S	Bend	trans	-89.4	-37.4	168	-67	-86.8	0	0	0	111.3	W132 R136 K210	W132-D251 HydrophobicContact CH2-CB 4.46Å; W132-D251 HydrophobicContact CZ2-CB 4.12Å; W132-D251 WeakPolarHBondContact CZ2-O 3.38Å; W132-D251 PolarHBondContact NE1-O 3.27Å; R136-D251 IonicContact CZ-OD1 3.52Å; R136-D251 VanDerWaalsContact CZ-OD1 3.29Å; R136-D251 IonicContact NH1-OD1 3.67Å; R136-D251 PolarHBondContact NH1-OD1 2.93Å; R136-D251 IonicContact NH2-OD1 2.64Å; R136-D251 PolarHBondContact NH2-OD1 3.1Å; K210-D251 PolarHBondContact N-OD2 3.11Å; K210-D251 WeakPolarHBondContact O-CA 3.17Å; K210-D251 WeakPolarHBondContact O-CB 3.21Å; K210-D251 PolarHBondContact O-N 3.4Å
252	I	95.5	Very high	94	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131	-176	-59.7	179.2	0	0	0	109.7	L129 W132 I209 K210 F211 R212 W243 V254 I267	L129-I252 HydrophobicContact CD2-CD1 4.25Å; W132-I252 HydrophobicContact CD2-CD1 4.37Å; W132-I252 HydrophobicContact CD2-CG1 4.08Å; W132-I252 HydrophobicContact CE3-CD1 4.18Å; W132-I252 HydrophobicContact CE3-CG1 4.33Å; W132-I252 HydrophobicContact CH2-CD1 3.76Å; W132-I252 HydrophobicContact CH2-CG1 3.54Å; W132-I252 HydrophobicContact CZ2-CB 4.47Å; W132-I252 HydrophobicContact CZ2-CD1 3.99Å; W132-I252 HydrophobicContact CZ2-CG1 3.25Å; W132-I252 HydrophobicContact CZ3-CD1 3.87Å; W132-I252 HydrophobicContact CZ3-CG1 4.08Å; I209-I252 HydrophobicContact CG2-CD1 3.61Å; I209-I252 HydrophobicContact CG2-CG1 4.05Å; K210-I252 PolarHBondContact O-N 2.81Å; K210-I252 VanDerWaalsContact O-N 3.08Å; F211-I252 CarbonylContact C-O 3.52Å; F211-I252 WeakPolarHBondContact CA-O 3.47Å; F211-I252 HydrophobicContact CB-CB 4.08Å; F211-I252 WeakPolarHBondContact CB-O 3.3Å; R212-I252 PolarHBondContact N-O 3.11Å; W243-I252 HydrophobicContact CD2-CD1 4.38Å; W243-I252 HydrophobicContact CE3-CD1 4.23Å; W243-I252 HydrophobicContact CH2-CD1 3.63Å; W243-I252 HydrophobicContact CZ2-CD1 3.75Å; W243-I252 HydrophobicContact CZ3-CD1 3.86Å; W243-I252 HydrophobicContact CZ3-CG2 4.17Å; I252-V254 HydrophobicContact CG2-CG2 4.02Å; I252-I267 HydrophobicContact CG2-CG2 3.97Å
253	E	97.4	Very high	94	Very high	24 Å²	24	46.7 Å²	46.7	11%	0.112	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116	166.3	167.9	170	-150.1	0	0	109.1	R212 T214 F250 L255 I267 A268	R212-E253 HydrophobicContact CG-CB 4.12Å; R212-E253 HydrophobicContact CG-CG 4.19Å; R212-E253 IonicContact CZ-OE1 2.79Å; R212-E253 VanDerWaalsContact CZ-OE1 3.22Å; R212-E253 IonicContact CZ-OE2 2.7Å; R212-E253 IonicContact NE-OE1 3.37Å; R212-E253 PolarHBondContact NE-OE1 2.71Å; R212-E253 IonicContact NE-OE2 3.14Å; R212-E253 IonicContact NH2-OE1 2.71Å; R212-E253 PolarHBondContact NH2-OE1 2.91Å; R212-E253 IonicContact NH2-OE2 3.58Å; R212-E253 PolarHBondContact NH2-OE2 2.86Å; T214-E253 WeakPolarHBondContact CB-OE1 3.48Å; T214-E253 PolarHBondContact OG1-OE1 2.89Å; F250-E253 HydrophobicContact CD2-CB 3.98Å; F250-E253 HydrophobicContact CE2-CB 3.68Å; E253-L255 HydrophobicContact CG-CD2 3.7Å; E253-L255 HydrophobicContact CG-CG 4.43Å; E253-I267 WeakPolarHBondContact O-CA 3.36Å; E253-A268 HydrophobicContact CB-CB 3.89Å; E253-A268 HydrophobicContact CG-CB 3.98Å; E253-A268 PolarHBondContact O-N 3.01Å
254	V	98	Very high	94.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.6	172.6	-179.6	0	0	0	0	108.1	W125 R212 V213 T214 F233 I252 I265 G266	W125-V254 HydrophobicContact CH2-CG1 3.75Å; W125-V254 HydrophobicContact CZ3-CG1 4.06Å; W125-V254 HydrophobicContact CZ3-CG2 4.41Å; R212-V254 PolarHBondContact O-N 2.8Å; V213-V254 CarbonylContact C-O 3.51Å; V213-V254 VanDerWaalsContact CA-O 3.32Å; V213-V254 WeakPolarHBondContact CA-O 3.49Å; V213-V254 HydrophobicContact CG2-CB 4.22Å; T214-V254 PolarHBondContact N-O 3.28Å; F233-V254 HydrophobicContact CE1-CG1 3.85Å; I252-V254 HydrophobicContact CG2-CG2 4.02Å; V254-I265 HydrophobicContact CG1-CG2 4.34Å; V254-G266 CarbonylContact C-O 3.53Å; V254-G266 WeakPolarHBondContact CA-O 3.49Å
255	L	97.8	Very high	94.2	Very high	18 Å²	18	39.8 Å²	39.8	9%	0.094	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.3	-178.8	-58.2	178.3	0	0	0	109.2	F94 T214 E253 I265 G266 A268	F94-L255 HydrophobicContact CB-CD1 3.57Å; F94-L255 HydrophobicContact CD1-CD1 3.95Å; F94-L255 HydrophobicContact CD2-CD1 4.37Å; F94-L255 HydrophobicContact CG-CD1 3.73Å; T214-L255 WeakPolarHBondContact O-CA 3.43Å; E253-L255 HydrophobicContact CG-CD2 3.7Å; E253-L255 HydrophobicContact CG-CG 4.43Å; L255-I265 VanDerWaalsContact O-CA 3.3Å; L255-I265 WeakPolarHBondContact O-CA 3.41Å; L255-G266 PolarHBondContact N-O 3.02Å; L255-G266 PolarHBondContact O-N 2.8Å; L255-A268 HydrophobicContact CD1-CB 4.34Å; L255-A268 HydrophobicContact CG-CB 4.46Å
256	L	97.3	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	96.3	168.4	177.9	59.2	0	0	0	107.9	V213 T214 C215 N216 A229 F233 I258 V263 I265	V213-L256 HydrophobicContact CG1-CB 4.46Å; T214-L256 PolarHBondContact O-N 3.44Å; C215-L256 CarbonylContact C-O 3.59Å; C215-L256 WeakPolarHBondContact CA-O 3.46Å; C215-L256 HydrophobicContact CB-CB 4.26Å; C215-L256 HydrophobicContact CB-CD2 4.46Å; C215-L256 PolarHBondContact SG-O 3.05Å; N216-L256 PolarHBondContact N-O 2.73Å; A229-L256 HydrophobicContact CB-CD2 4.03Å; F233-L256 HydrophobicContact CB-CD2 4.06Å; F233-L256 HydrophobicContact CD1-CD2 4.48Å; F233-L256 HydrophobicContact CG-CD2 4.14Å; L256-I258 HydrophobicContact CD1-CD1 4.27Å; L256-I258 HydrophobicContact CD1-CG1 4.14Å; L256-I258 HydrophobicContact CD2-CD1 4.13Å; L256-I258 HydrophobicContact CG-CD1 3.99Å; L256-I258 HydrophobicContact CG-CG1 4.07Å; L256-V263 HydrophobicContact CD1-CG1 3.83Å; L256-I265 HydrophobicContact CD1-CG1 3.94Å
257	N	95.4	Very high	94.5	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.027	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.1	-179.1	-65	-59.6	0	0	0	109.6	R71 N216 V263 V264	R71-N257 PolarHBondContact NH2-OD1 2.91Å; R71-N257 VanDerWaalsContact NH2-OD1 3.08Å; N216-N257 WeakPolarHBondContact CB-OD1 3.14Å; N216-N257 PolarHBondContact ND2-OD1 2.64Å; N216-N257 WeakPolarHBondContact O-CA 3.21Å; N257-V263 WeakPolarHBondContact O-CA 3.16Å; N257-V264 HydrophobicContact CB-CB 4.31Å; N257-V264 WeakPolarHBondContact CB-O 3.18Å; N257-V264 PolarHBondContact N-O 2.92Å; N257-V264 PolarHBondContact O-N 2.8Å
258	I	93.9	Very high	94.8	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.7	-178.9	-58.1	175.5	0	0	0	108.6	F105 L116 N216 R217 A218 F224 L256 E262 V263	F105-I258 HydrophobicContact CE1-CG2 4.29Å; F105-I258 HydrophobicContact CE2-CG2 4.23Å; F105-I258 HydrophobicContact CZ-CG2 3.55Å; L116-I258 HydrophobicContact CD1-CD1 4.42Å; N216-I258 PolarHBondContact O-N 3.21Å; R217-I258 CarbonylContact C-O 3.6Å; R217-I258 VanDerWaalsContact CA-O 3.3Å; R217-I258 WeakPolarHBondContact CA-O 3.44Å; R217-I258 HydrophobicContact CG-CB 4.34Å; R217-I258 HydrophobicContact CG-CG2 4.4Å; A218-I258 PolarHBondContact N-O 3.38Å; F224-I258 HydrophobicContact CE2-CD1 3.74Å; F224-I258 HydrophobicContact CZ-CD1 3.85Å; L256-I258 HydrophobicContact CD1-CD1 4.27Å; L256-I258 HydrophobicContact CD1-CG1 4.14Å; L256-I258 HydrophobicContact CD2-CD1 4.13Å; L256-I258 HydrophobicContact CG-CD1 3.99Å; L256-I258 HydrophobicContact CG-CG1 4.07Å; I258-E262 CarbonylContact C-O 3.6Å; I258-E262 WeakPolarHBondContact CA-O 3.19Å; I258-V263 HydrophobicContact CG1-CG1 4.42Å; I258-V263 HydrophobicContact CG1-CG2 4.24Å; I258-V263 HydrophobicContact CG2-CG2 4.49Å
259	H	90.6	Very high	95.1	Very high	49 Å²	49	26.3 Å²	26.3	23%	0.227	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	109.9	177.5	179.7	-75.1	0	0	0	110.5	R69 A218 D261 E262	R69-H259 PolarHBondContact NE-CE1 2.82Å; A218-H259 CarbonylContact O-C 3.6Å; A218-H259 VanDerWaalsContact O-CA 3.27Å; A218-H259 WeakPolarHBondContact O-CA 3.4Å; H259-D261 PolarHBondContact O-N 2.88Å; H259-D261 VanDerWaalsContact O-N 3.15Å; H259-E262 PolarHBondContact N-O 3.01Å; H259-E262 WeakPolarHBondContact O-CB 3.5Å; H259-E262 PolarHBondContact O-N 2.95Å
260	N	90.3	Very high	95.2	Very high	72 Å²	72	19.4 Å²	19.4	39%	0.385	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	-116.4	-169.9	-60.6	-31.2	0	0	0	110.8	F105 A218 G219 H222	F105-N260 WeakPolarHBondContact CE2-O 3.36Å; A218-N260 PolarHBondContact O-N 2.83Å; G219-N260 WeakPolarHBondContact CA-OD1 3.5Å; H222-N260 PolarHBondContact NE2-O 3.36Å
261	D	91.1	Very high	94.9	Very high	71 Å²	71	23.6 Å²	23.6	38%	0.38	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-1	175.8	52.8	-22.3	0	0	0	113.6	H102 Y103 H259	H102-D261 IonicContact CD2-OD2 3.82Å; Y103-D261 WeakPolarHBondContact CA-O 3.45Å; Y103-D261 WeakPolarHBondContact CB-O 3.5Å; Y103-D261 PolarHBondContact N-O 3.3Å; H259-D261 PolarHBondContact O-N 2.88Å; H259-D261 VanDerWaalsContact O-N 3.15Å
262	E	91.6	Very high	94.7	Very high	39 Å²	39	27.6 Å²	27.6	18%	0.182	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.4	179.1	-62.5	176.2	-170	0	0	112.2	R69 Y100 D101 I258 H259	R69-E262 IonicContact CZ-OE1 2.89Å; R69-E262 IonicContact CZ-OE2 2.86Å; R69-E262 VanDerWaalsContact CZ-OE2 3.24Å; R69-E262 IonicContact NH1-OE1 3.78Å; R69-E262 PolarHBondContact NH1-OE1 3.36Å; R69-E262 IonicContact NH1-OE2 2.73Å; R69-E262 PolarHBondContact NH1-OE2 2.75Å; R69-E262 IonicContact NH2-OE1 3.01Å; R69-E262 PolarHBondContact NH2-OE1 2.89Å; R69-E262 IonicContact NH2-OE2 3.2Å; Y100-E262 CarbonylContact O-C 3.57Å; Y100-E262 VanDerWaalsContact O-CA 3.29Å; Y100-E262 WeakPolarHBondContact O-CA 3.19Å; D101-E262 WeakPolarHBondContact O-CG 3.41Å; I258-E262 CarbonylContact C-O 3.6Å; I258-E262 WeakPolarHBondContact CA-O 3.19Å; H259-E262 PolarHBondContact N-O 3.01Å; H259-E262 WeakPolarHBondContact O-CB 3.5Å; H259-E262 PolarHBondContact O-N 2.95Å
263	V	94.4	Very high	94.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	123.5	174.4	-177.7	0	0	0	0	110	E99 Y100 Y103 F105 L256 N257 I258 I265	E99-V263 CarbonylContact C-O 3.58Å; E99-V263 WeakPolarHBondContact CA-O 3.45Å; Y100-V263 HydrophobicContact CD2-CB 4.21Å; Y100-V263 HydrophobicContact CD2-CG1 4.44Å; Y100-V263 PolarHBondContact N-O 2.9Å; Y100-V263 PolarHBondContact O-N 3.22Å; Y103-V263 HydrophobicContact CD1-CG2 4.06Å; Y103-V263 HydrophobicContact CD2-CB 4.15Å; Y103-V263 HydrophobicContact CD2-CG2 3.8Å; Y103-V263 HydrophobicContact CE2-CG2 4.48Å; Y103-V263 HydrophobicContact CG-CB 4.34Å; Y103-V263 HydrophobicContact CG-CG2 3.55Å; F105-V263 HydrophobicContact CE1-CG2 4.34Å; F105-V263 HydrophobicContact CE2-CG2 4.31Å; F105-V263 HydrophobicContact CZ-CG2 3.56Å; L256-V263 HydrophobicContact CD1-CG1 3.83Å; N257-V263 WeakPolarHBondContact O-CA 3.16Å; I258-V263 HydrophobicContact CG1-CG1 4.42Å; I258-V263 HydrophobicContact CG1-CG2 4.24Å; I258-V263 HydrophobicContact CG2-CG2 4.49Å; V263-I265 HydrophobicContact CG1-CD1 3.71Å; V263-I265 HydrophobicContact CG1-CG1 4.34Å
264	V	96.1	Very high	94.5	Very high	3 Å²	3	29 Å²	29	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116.9	173.9	-179	0	0	0	0	109.3	Y73 F94 V96 E99 N257	Y73-V264 HydrophobicContact CE1-CG1 4.14Å; F94-V264 HydrophobicContact CE2-CG1 3.98Å; V96-V264 HydrophobicContact CG1-CG1 4.29Å; V96-V264 HydrophobicContact CG2-CG1 4.38Å; E99-V264 HydrophobicContact CB-CG2 4.45Å; E99-V264 HydrophobicContact CG-CG2 4.08Å; N257-V264 HydrophobicContact CB-CB 4.31Å; N257-V264 WeakPolarHBondContact CB-O 3.18Å; N257-V264 PolarHBondContact N-O 2.92Å; N257-V264 PolarHBondContact O-N 2.8Å
265	I	98.1	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.1	172.4	-56.3	96.5	0	0	0	108.8	V97 A98 Y100 L119 L123 W125 F233 V254 L255 L256 V263	V97-I265 HydrophobicContact CB-CB 4.43Å; V97-I265 HydrophobicContact CB-CG2 4.2Å; V97-I265 PolarHBondContact N-O 3.01Å; A98-I265 HydrophobicContact CB-CD1 4.42Å; A98-I265 PolarHBondContact N-O 2.94Å; A98-I265 PolarHBondContact O-N 3.27Å; Y100-I265 HydrophobicContact CD2-CD1 4.16Å; Y100-I265 HydrophobicContact CE2-CD1 3.79Å; L119-I265 HydrophobicContact CD2-CD1 3.89Å; L123-I265 HydrophobicContact CD1-CB 4.32Å; L123-I265 HydrophobicContact CD1-CD1 4.42Å; L123-I265 HydrophobicContact CD1-CG1 4.23Å; L123-I265 HydrophobicContact CD1-CG2 3.97Å; L123-I265 HydrophobicContact CD2-CD1 4.2Å; W125-I265 HydrophobicContact CH2-CG2 3.92Å; W125-I265 HydrophobicContact CZ3-CG2 4.36Å; F233-I265 HydrophobicContact CE1-CG2 4.3Å; F233-I265 HydrophobicContact CZ-CG1 4.3Å; F233-I265 HydrophobicContact CZ-CG2 4.05Å; V254-I265 HydrophobicContact CG1-CG2 4.34Å; L255-I265 VanDerWaalsContact O-CA 3.3Å; L255-I265 WeakPolarHBondContact O-CA 3.41Å; L256-I265 HydrophobicContact CD1-CG1 3.94Å; V263-I265 HydrophobicContact CG1-CD1 3.71Å; V263-I265 HydrophobicContact CG1-CG1 4.34Å
266	G	98	Very high	94	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	173	178.7	0	0	0	0	0	114.1	V95 V254 L255	V95-G266 CarbonylContact O-C 3.55Å; V95-G266 WeakPolarHBondContact O-CA 3.29Å; V254-G266 CarbonylContact C-O 3.53Å; V254-G266 WeakPolarHBondContact CA-O 3.49Å; L255-G266 PolarHBondContact N-O 3.02Å; L255-G266 PolarHBondContact O-N 2.8Å
267	I	98.2	Very high	93.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.7	171.8	-58.5	177.2	0	0	0	108.6	F94 V95 V97 W125 A128 L129 W132 I252 E253 L269	F94-I267 CarbonylContact C-O 3.58Å; F94-I267 WeakPolarHBondContact CA-O 3.5Å; F94-I267 WeakPolarHBondContact CB-O 3.3Å; V95-I267 HydrophobicContact CG1-CB 3.91Å; V95-I267 PolarHBondContact N-O 2.9Å; V95-I267 PolarHBondContact O-N 3.25Å; V97-I267 HydrophobicContact CG2-CD1 4.37Å; V97-I267 HydrophobicContact CG2-CG1 3.99Å; W125-I267 HydrophobicContact CE3-CD1 4.16Å; W125-I267 HydrophobicContact CE3-CG1 4.48Å; W125-I267 HydrophobicContact CZ3-CD1 4.37Å; W125-I267 HydrophobicContact CZ3-CG1 4.23Å; A128-I267 HydrophobicContact CB-CD1 3.98Å; A128-I267 HydrophobicContact CB-CG1 4.5Å; L129-I267 HydrophobicContact CD2-CD1 3.57Å; L129-I267 HydrophobicContact CG-CD1 3.94Å; W132-I267 HydrophobicContact CB-CG2 3.97Å; W132-I267 HydrophobicContact CG-CG2 3.9Å; I252-I267 HydrophobicContact CG2-CG2 3.97Å; E253-I267 WeakPolarHBondContact O-CA 3.36Å; I267-L269 PolarHBondContact O-N 3.05Å
268	A	97.5	Very high	93.7	Very high	12 Å²	12	40.4 Å²	40.4	10%	0.099	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	135.5	179.1	0	0	0	0	0	111.5	E253 L255	E253-A268 HydrophobicContact CB-CB 3.89Å; E253-A268 HydrophobicContact CG-CB 3.98Å; E253-A268 PolarHBondContact O-N 3.01Å; L255-A268 HydrophobicContact CD1-CB 4.34Å; L255-A268 HydrophobicContact CG-CB 4.46Å
269	L	96.3	Very high	93.8	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.195	C	C	.	.			trans	-102.4	-26.8	175.8	-59.6	177.7	0	0	0	111.5	V39 L81 L93 V95 V131 W132 N135 K139 I267	V39-L269 HydrophobicContact CG2-CD1 4.39Å; L81-L269 HydrophobicContact CD1-CD1 4.31Å; L93-L269 HydrophobicContact CB-CB 4.06Å; L93-L269 HydrophobicContact CB-CD1 4.48Å; L93-L269 PolarHBondContact O-N 2.93Å; V95-L269 HydrophobicContact CB-CD1 4.32Å; V95-L269 HydrophobicContact CB-CD2 4.47Å; V95-L269 HydrophobicContact CG1-CD2 4.12Å; V131-L269 HydrophobicContact CG1-CD1 4.39Å; V131-L269 HydrophobicContact CG1-CD2 4.16Å; W132-L269 HydrophobicContact CB-CD2 4.47Å; N135-L269 HydrophobicContact CB-CD2 4.04Å; N135-L269 PolarHBondContact ND2-O 2.97Å; K139-L269 WeakPolarHBondContact CE-O 3.44Å; K139-L269 PolarHBondContact NZ-O 3.48Å; K139-L269 VanDerWaalsContact NZ-O 3.11Å; I267-L269 PolarHBondContact O-N 3.05Å
270	T	93.3	Very high	94	Very high	12 Å²	12	40.9 Å²	40.9	7%	0.074	20%	0.198	C	C	.	.			trans	-95.7	130.3	175.8	46.3	0	0	0	0	111	N92 L93 L274	N92-T270 WeakPolarHBondContact CA-OG1 3.5Å; L93-T270 HydrophobicContact CB-CG2 3.91Å; L93-T270 HydrophobicContact CD1-CG2 4.09Å; L93-T270 HydrophobicContact CG-CG2 4.02Å; L93-T270 PolarHBondContact N-OG1 2.88Å; L93-T270 PolarHBondContact O-N 2.9Å; L93-T270 PolarHBondContact O-OG1 3.26Å; T270-L274 HydrophobicContact CG2-CD1 4.05Å; T270-L274 HydrophobicContact CG2-CD2 4.13Å; T270-L274 HydrophobicContact CG2-CG 3.83Å
271	E	87.4	Confident	94.1	Very high	146 Å²	146	41.3 Å²	41.3	68%	0.682	20%	0.198	S	C	*	.	S	Bend	trans	-85.9	-46.8	171.4	-81	158.3	-134.6	0	0	110.5	K139	K139-E271 WeakPolarHBondContact CD-OE1 3.45Å; K139-E271 VanDerWaalsContact NZ-CD 3.25Å; K139-E271 IonicContact NZ-OE1 2.58Å; K139-E271 PolarHBondContact NZ-OE1 3.12Å
272	E	90.8	Very high	94.3	Very high	124 Å²	124	44.2 Å²	44.2	58%	0.579	21%	0.207	S	C	*	.	S	Bend	trans	-107.9	146.8	167.6	-65.5	-163.1	125.6	0	0	109.8	R276	E272-R276 IonicContact OE1-NH1 3.56Å; E272-R276 PolarHBondContact OE1-NH1 2.95Å
273	S	93.2	Very high	94.1	Very high	17 Å²	17	43.2 Å²	43.2	12%	0.119	21%	0.207	C	C	.	.			trans	-63.8	136.9	176.5	-175.2	0	0	0	0	111.5	D91 N92 H275 R276	D91-S273 VanDerWaalsContact C-OG 3.27Å; D91-S273 CarbonylContact O-C 3.57Å; D91-S273 WeakPolarHBondContact O-CA 3.32Å; D91-S273 WeakPolarHBondContact O-CB 3.2Å; D91-S273 PolarHBondContact O-OG 3.29Å; N92-S273 VanDerWaalsContact OD1-CA 3.26Å; N92-S273 WeakPolarHBondContact OD1-CA 3.19Å; N92-S273 WeakPolarHBondContact OD1-CB 3.22Å; N92-S273 PolarHBondContact OD1-OG 3.42Å; S273-H275 VanDerWaalsContact CB-CE1 3.43Å; S273-H275 WeakPolarHBondContact CB-CE1 3.47Å; S273-H275 VanDerWaalsContact CB-ND1 3.28Å; S273-H275 WeakPolarHBondContact CB-ND1 3.39Å; S273-H275 PolarHBondContact O-N 2.87Å; S273-H275 VanDerWaalsContact O-N 3.12Å; S273-H275 PolarHBondContact OG-CE1 2.95Å; S273-H275 PolarHBondContact OG-ND1 3.39Å; S273-R276 WeakPolarHBondContact O-CB 3.45Å; S273-R276 PolarHBondContact O-N 3.43Å
274	L	94.6	Very high	93.6	Very high	36 Å²	36	47.2 Å²	47.2	19%	0.188	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.9	-176.7	-65.6	174.4	0	0	0	113.9	V90 D91 L93 T270 R276 R277	V90-L274 HydrophobicContact CG2-CD1 3.69Å; V90-L274 WeakPolarHBondContact O-CB 3.09Å; D91-L274 PolarHBondContact O-N 3.49Å; L93-L274 HydrophobicContact CD1-CD1 3.74Å; L93-L274 HydrophobicContact CG-CD1 3.95Å; T270-L274 HydrophobicContact CG2-CD1 4.05Å; T270-L274 HydrophobicContact CG2-CD2 4.13Å; T270-L274 HydrophobicContact CG2-CG 3.83Å; L274-R276 PolarHBondContact O-N 2.76Å; L274-R277 PolarHBondContact O-NH1 3.12Å
275	H	93.4	Very high	93.1	Very high	35 Å²	35	49.7 Å²	49.7	16%	0.162	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.9	169.6	76.3	-99	0	0	0	113	D91 S273 R277 R288 S289 T290	D91-H275 IonicContact OD1-ND1 3.9Å; S273-H275 VanDerWaalsContact CB-CE1 3.43Å; S273-H275 WeakPolarHBondContact CB-CE1 3.47Å; S273-H275 VanDerWaalsContact CB-ND1 3.28Å; S273-H275 WeakPolarHBondContact CB-ND1 3.39Å; S273-H275 PolarHBondContact O-N 2.87Å; S273-H275 VanDerWaalsContact O-N 3.12Å; S273-H275 PolarHBondContact OG-CE1 2.95Å; S273-H275 PolarHBondContact OG-ND1 3.39Å; H275-R277 PolarHBondContact O-N 3.27Å; H275-R288 HydrophobicContact CB-CB 4.08Å; H275-R288 HydrophobicContact CB-CG 4.39Å; H275-S289 PolarHBondContact O-OG 3.27Å; H275-T290 HydrophobicContact CB-CG2 3.75Å
276	R	92.8	Very high	92.9	Very high	168 Å²	168	51.3 Å²	51.3	63%	0.634	26%	0.259	S	S	*	.	S	Bend	trans	-76.4	67.7	176.6	-65.6	-171.1	173.4	-165.1	-3	110.5	E272 S273 L274	E272-R276 IonicContact OE1-NH1 3.56Å; E272-R276 PolarHBondContact OE1-NH1 2.95Å; S273-R276 WeakPolarHBondContact O-CB 3.45Å; S273-R276 PolarHBondContact O-N 3.43Å; L274-R276 PolarHBondContact O-N 2.76Å
277	R	93.3	Very high	92.7	Very high	41 Å²	41	52 Å²	52	16%	0.155	26%	0.263	C	S	.	.			trans	-139.6	161	178.2	65	177	-177.2	-102.1	2.7	110.2	R88 L274 H275 I279 S289 E320	R88-R277 PolarHBondContact O-NH1 3.28Å; R88-R277 PolarHBondContact O-NH2 3.42Å; L274-R277 PolarHBondContact O-NH1 3.12Å; H275-R277 PolarHBondContact O-N 3.27Å; R277-I279 PolarHBondContact O-N 2.85Å; R277-S289 PolarHBondContact NH2-O 2.91Å; R277-S289 PolarHBondContact O-OG 2.93Å; R277-E320 IonicContact CZ-OE1 2.77Å; R277-E320 IonicContact NE-OE1 3.11Å; R277-E320 PolarHBondContact NE-OE1 3.21Å; R277-E320 IonicContact NE-OE2 3.56Å; R277-E320 PolarHBondContact NE-OE2 3.48Å; R277-E320 IonicContact NH2-OE1 2.99Å; R277-E320 PolarHBondContact NH2-OE1 3.21Å; R277-E320 IonicContact NH2-OE2 2.82Å
278	N	93.1	Very high	92.6	Very high	19 Å²	19	58.3 Å²	58.3	10%	0.102	29%	0.286	C	S	.	.	S	Bend	trans	68.7	-33.2	171.1	-53.7	-24.3	0	0	0	116	R88 L319 E320 I323 I350	R88-N278 PolarHBondContact NH2-ND2 2.98Å; R88-N278 VanDerWaalsContact NH2-ND2 3.13Å; N278-L319 HydrophobicContact CB-CD2 4.15Å; N278-L319 HydrophobicContact CB-CG 4.37Å; N278-L319 WeakPolarHBondContact O-CD2 3.32Å; N278-E320 PolarHBondContact ND2-OE2 2.77Å; N278-I323 HydrophobicContact CB-CD1 4.07Å; N278-I323 WeakPolarHBondContact OD1-CD1 3.49Å; N278-I350 HydrophobicContact CB-CD1 4.32Å; N278-I350 WeakPolarHBondContact O-CG1 3.39Å
279	I	95.3	Very high	92.5	Very high	19 Å²	19	57.9 Å²	57.9	10%	0.097	28%	0.283	C	S	.	.			trans	-101.5	127.8	-178.4	-53.9	-60.3	0	0	0	111.6	R277 F282 T286 A316 L319 N346	R277-I279 PolarHBondContact O-N 2.85Å; I279-F282 HydrophobicContact CB-CE1 4.15Å; I279-F282 HydrophobicContact CB-CZ 4.29Å; I279-F282 HydrophobicContact CG2-CD1 3.87Å; I279-F282 HydrophobicContact CG2-CD2 4.46Å; I279-F282 HydrophobicContact CG2-CE1 3.79Å; I279-F282 HydrophobicContact CG2-CE2 4.39Å; I279-F282 HydrophobicContact CG2-CG 4.2Å; I279-F282 HydrophobicContact CG2-CZ 4.06Å; I279-F282 WeakPolarHBondContact O-CZ 3.13Å; I279-T286 HydrophobicContact CG1-CG2 4.44Å; I279-T286 HydrophobicContact CG2-CG2 4.06Å; I279-A316 HydrophobicContact CD1-CB 4.08Å; I279-A316 HydrophobicContact CG1-CB 4.26Å; I279-L319 HydrophobicContact CD1-CD2 3.93Å; I279-N346 HydrophobicContact CD1-CB 4.25Å
280	S	94.6	Very high	92.5	Very high	43 Å²	43	57.9 Å²	57.9	30%	0.301	28%	0.282	S	S	.	.	S	Bend	trans	-115.8	-27.8	173.4	53.9	0	0	0	0	112.5	N346 H349	S280-N346 PolarHBondContact N-OD1 3.39Å; S280-N346 PolarHBondContact OG-OD1 2.98Å; S280-H349 WeakPolarHBondContact OG-CB 3.33Å; S280-H349 VanDerWaalsContact OG-CG 3.31Å
281	H	93.6	Very high	92.7	Very high	80 Å²	80	57.8 Å²	57.8	37%	0.37	28%	0.282	S	S	.	.	S	Bend	trans	-110	100.1	179.3	-60	70.1	0	0	0	108.9	R342 N345 N346	H281-R342 HydrophobicContact CB-CB 4.49Å; H281-R342 HydrophobicContact CB-CG 4.45Å; H281-N345 HydrophobicContact CB-CB 4.42Å; H281-N346 PolarHBondContact N-OD1 3.15Å; H281-N346 PolarHBondContact O-ND2 2.83Å
282	F	94.1	Very high	93.2	Very high	132 Å²	132	50.9 Å²	50.9	58%	0.579	25%	0.249	S	C	*	.			trans	-85.9	147.5	-176.7	-63.8	-91.6	0	0	0	111.9	I279 T286 R342	I279-F282 HydrophobicContact CB-CE1 4.15Å; I279-F282 HydrophobicContact CB-CZ 4.29Å; I279-F282 HydrophobicContact CG2-CD1 3.87Å; I279-F282 HydrophobicContact CG2-CD2 4.46Å; I279-F282 HydrophobicContact CG2-CE1 3.79Å; I279-F282 HydrophobicContact CG2-CE2 4.39Å; I279-F282 HydrophobicContact CG2-CG 4.2Å; I279-F282 HydrophobicContact CG2-CZ 4.06Å; I279-F282 WeakPolarHBondContact O-CZ 3.13Å; F282-T286 HydrophobicContact CD1-CG2 3.85Å; F282-T286 HydrophobicContact CE1-CG2 4.33Å; F282-R342 PolarHBondContact O-NE 2.79Å
283	G	88.4	Confident	93.6	Very high	18 Å²	18	45 Å²	45	19%	0.186	22%	0.222	C	C	.	.			trans	-118.5	174.8	168.9	0	0	0	0	0	111.9	T285 T286	G283-T285 PolarHBondContact O-N 2.99Å; G283-T285 VanDerWaalsContact O-N 3.1Å; G283-T286 PolarHBondContact N-OG1 2.82Å; G283-T286 PolarHBondContact O-N 2.77Å; G283-T286 PolarHBondContact O-OG1 3.48Å
284	P	83.8	Confident	93.7	Very high	84 Å²	84	44.2 Å²	44.2	55%	0.545	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.7	-169.9	25.5	-35.6	0	0	0	114.7	R394 M395	P284-R394 PolarHBondContact O-NH1 3.45Å; P284-M395 HydrophobicContact CG-SD 4.35Å
285	T	86.1	Confident	93.9	Very high	55 Å²	55	42.5 Å²	42.5	34%	0.337	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	30.5	-176.6	55.3	0	0	0	0	112	G283 L287 R394 M395	G283-T285 PolarHBondContact O-N 2.99Å; G283-T285 VanDerWaalsContact O-N 3.1Å; T285-L287 PolarHBondContact O-N 2.99Å; T285-L287 VanDerWaalsContact O-N 3.15Å; T285-R394 HydrophobicContact CG2-CB 4.06Å; T285-M395 HydrophobicContact CG2-CG 3.8Å
286	T	92.5	Very high	94.1	Very high	35 Å²	35	40.9 Å²	40.9	22%	0.215	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-58.1	119.2	176.7	-51.2	0	0	0	0	110.7	I279 F282 G283 T314	I279-T286 HydrophobicContact CG1-CG2 4.44Å; I279-T286 HydrophobicContact CG2-CG2 4.06Å; F282-T286 HydrophobicContact CD1-CG2 3.85Å; F282-T286 HydrophobicContact CE1-CG2 4.33Å; G283-T286 PolarHBondContact N-OG1 2.82Å; G283-T286 PolarHBondContact O-N 2.77Å; G283-T286 PolarHBondContact O-OG1 3.48Å; T286-T314 WeakPolarHBondContact CG2-OG1 3.28Å; T286-T314 WeakPolarHBondContact OG1-CG2 3.22Å
287	L	94.5	Very high	94.3	Very high	15 Å²	15	34.7 Å²	34.7	8%	0.079	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-72.4	150.5	175.3	-70.5	-173.9	0	0	0	111.8	T285 L291 M295 I317 D388 L426 V454	T285-L287 PolarHBondContact O-N 2.99Å; T285-L287 VanDerWaalsContact O-N 3.15Å; L287-L291 HydrophobicContact CD2-CD2 4.14Å; L287-M295 HydrophobicContact CD1-SD 4.33Å; L287-I317 HydrophobicContact CD1-CD1 4.01Å; L287-I317 HydrophobicContact CD1-CG1 4.21Å; L287-D388 HydrophobicContact CD1-CB 3.75Å; L287-D388 WeakPolarHBondContact CD2-OD2 2.96Å; L287-D388 HydrophobicContact CG-CB 4.28Å; L287-L426 HydrophobicContact CD1-CD2 3.93Å; L287-L426 HydrophobicContact CD2-CD2 3.95Å; L287-V454 HydrophobicContact CD2-CG1 4.07Å
288	R	95.4	Very high	94.3	Very high	132 Å²	132	34.3 Å²	34.3	50%	0.498	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-67.8	135	170.8	-70.7	-170.2	-179	176.7	3.9	109.9	D91 H275 T290 L291 C292	D91-R288 IonicContact OD2-NH1 3.18Å; D91-R288 PolarHBondContact OD2-NH1 3.18Å; H275-R288 HydrophobicContact CB-CB 4.08Å; H275-R288 HydrophobicContact CB-CG 4.39Å; R288-T290 PolarHBondContact O-N 3.48Å; R288-T290 VanDerWaalsContact O-N 3.12Å; R288-L291 HydrophobicContact CB-CB 4.5Å; R288-L291 WeakPolarHBondContact O-CB 3.42Å; R288-L291 PolarHBondContact O-N 2.7Å; R288-C292 PolarHBondContact O-N 2.71Å; R288-C292 PolarHBondContact O-SG 2.79Å
289	S	96.6	Very high	94.3	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-28.1	-179.6	-50.7	0	0	0	0	113.6	H275 R277 Y293 E320	H275-S289 PolarHBondContact O-OG 3.27Å; R277-S289 PolarHBondContact NH2-O 2.91Å; R277-S289 PolarHBondContact O-OG 2.93Å; S289-Y293 WeakPolarHBondContact O-CB 3.18Å; S289-Y293 PolarHBondContact O-N 3.18Å; S289-E320 WeakPolarHBondContact CB-OE2 3.25Å
290	T	96.9	Very high	94.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-67.8	-40.3	174.6	46.7	0	0	0	0	112.5	R88 V90 D91 H275 R288 G294	R88-T290 WeakPolarHBondContact O-CA 3.27Å; R88-T290 VanDerWaalsContact O-CG2 3.29Å; R88-T290 WeakPolarHBondContact O-CG2 3.3Å; V90-T290 WeakPolarHBondContact O-CG2 3.42Å; D91-T290 WeakPolarHBondContact OD1-CB 3.47Å; D91-T290 VanDerWaalsContact OD1-CG2 3.23Å; D91-T290 WeakPolarHBondContact OD1-CG2 2.97Å; D91-T290 PolarHBondContact OD1-OG1 3.29Å; H275-T290 HydrophobicContact CB-CG2 3.75Å; R288-T290 PolarHBondContact O-N 3.48Å; R288-T290 VanDerWaalsContact O-N 3.12Å; T290-G294 PolarHBondContact O-N 3.38Å
291	L	96.9	Very high	94.3	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-68.9	-43	173.5	177.6	58.8	0	0	0	111.3	F47 L287 R288 Y293 G294 M295 L426 V452 V454	F47-L291 HydrophobicContact CD2-CD1 3.93Å; F47-L291 HydrophobicContact CE2-CD1 3.34Å; F47-L291 HydrophobicContact CZ-CD1 4.21Å; L287-L291 HydrophobicContact CD2-CD2 4.14Å; R288-L291 HydrophobicContact CB-CB 4.5Å; R288-L291 WeakPolarHBondContact O-CB 3.42Å; R288-L291 PolarHBondContact O-N 2.7Å; L291-Y293 VanDerWaalsContact C-N 3.31Å; L291-Y293 PolarHBondContact O-N 2.71Å; L291-G294 PolarHBondContact O-N 3.08Å; L291-M295 HydrophobicContact CD1-CG 4.34Å; L291-M295 HydrophobicContact CG-SD 4.29Å; L291-M295 WeakPolarHBondContact O-CG 3.32Å; L291-M295 PolarHBondContact O-N 2.8Å; L291-L426 HydrophobicContact CD2-CD2 4.11Å; L291-V452 HydrophobicContact CD1-CG1 4.36Å; L291-V454 HydrophobicContact CD2-CG2 3.75Å
292	C	97.9	Very high	94.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-54.5	-48.2	173.5	-63.1	0	0	0	0	111.5	R288 G294 M295 L296 I317 E320	R288-C292 PolarHBondContact O-N 2.71Å; R288-C292 PolarHBondContact O-SG 2.79Å; C292-G294 PolarHBondContact O-N 3.44Å; C292-M295 PolarHBondContact O-N 2.92Å; C292-L296 WeakPolarHBondContact O-CG 3.47Å; C292-L296 PolarHBondContact O-N 2.77Å; C292-I317 HydrophobicContact CB-CG1 4.15Å; C292-E320 HydrophobicContact CB-CB 3.95Å; C292-E320 HydrophobicContact CB-CG 4.02Å
293	Y	98	Very high	94.5	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-43.5	177.7	178.9	-108.5	0	0	0	112.3	E54 R88 S289 L291 M295 L296 R297 E324 F325	E54-Y293 HydrophobicContact CG-CE1 4.36Å; E54-Y293 PolarHBondContact OE1-OH 2.85Å; E54-Y293 WeakPolarHBondContact OE2-CE1 3.35Å; R88-Y293 HydrophobicContact CB-CD1 3.65Å; R88-Y293 HydrophobicContact CB-CD2 3.94Å; R88-Y293 HydrophobicContact CB-CE1 3.83Å; R88-Y293 HydrophobicContact CB-CE2 4.15Å; R88-Y293 HydrophobicContact CB-CG 3.68Å; S289-Y293 WeakPolarHBondContact O-CB 3.18Å; S289-Y293 PolarHBondContact O-N 3.18Å; L291-Y293 VanDerWaalsContact C-N 3.31Å; L291-Y293 PolarHBondContact O-N 2.71Å; Y293-M295 PolarHBondContact O-N 3.29Å; Y293-L296 PolarHBondContact O-N 3.37Å; Y293-R297 HydrophobicContact CD1-CG 4.29Å; Y293-R297 HydrophobicContact CD2-CG 4.43Å; Y293-R297 HydrophobicContact CE1-CG 3.85Å; Y293-R297 HydrophobicContact CE2-CG 3.95Å; Y293-R297 WeakPolarHBondContact O-CG 3.29Å; Y293-R297 PolarHBondContact O-N 2.98Å; Y293-E324 HydrophobicContact CD2-CG 4.14Å; Y293-E324 HydrophobicContact CE2-CG 3.61Å; Y293-F325 HydrophobicContact CD2-CE2 4.32Å; Y293-F325 HydrophobicContact CD2-CZ 4.36Å; Y293-F325 HydrophobicContact CE2-CE2 4.18Å; Y293-F325 AromaticContact CE2-CZ 3.82Å; Y293-F325 HydrophobicContact CE2-CZ 3.82Å
294	G	97.1	Very high	94.9	Very high	1 Å²	1	45 Å²	45	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-47.9	174.4	0	0	0	0	0	112.4	F47 T290 L291 C292 L296 R297 L298	F47-G294 WeakPolarHBondContact CE1-O 3.44Å; T290-G294 PolarHBondContact O-N 3.38Å; L291-G294 PolarHBondContact O-N 3.08Å; C292-G294 PolarHBondContact O-N 3.44Å; G294-L296 VanDerWaalsContact C-N 3.34Å; G294-L296 PolarHBondContact O-N 2.86Å; G294-R297 PolarHBondContact O-N 3.29Å; G294-L298 PolarHBondContact O-N 3.41Å; G294-L298 VanDerWaalsContact O-N 3.16Å
295	M	97.8	Very high	95.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-41.7	177.5	-67.7	173.2	61.3	0	0	112.1	F47 L287 L291 C292 Y293 L298 I317 I386 V424 L426 V461	F47-M295 HydrophobicContact CZ-CG 4.08Å; L287-M295 HydrophobicContact CD1-SD 4.33Å; L291-M295 HydrophobicContact CD1-CG 4.34Å; L291-M295 HydrophobicContact CG-SD 4.29Å; L291-M295 WeakPolarHBondContact O-CG 3.32Å; L291-M295 PolarHBondContact O-N 2.8Å; C292-M295 PolarHBondContact O-N 2.92Å; Y293-M295 PolarHBondContact O-N 3.29Å; M295-L298 WeakPolarHBondContact O-CB 3.44Å; M295-L298 PolarHBondContact O-N 2.98Å; M295-I317 HydrophobicContact CE-CD1 4.05Å; M295-I386 HydrophobicContact CB-CD1 3.6Å; M295-I386 HydrophobicContact CB-CG1 4.34Å; M295-I386 HydrophobicContact CE-CD1 4.41Å; M295-I386 HydrophobicContact CE-CG1 3.97Å; M295-V424 HydrophobicContact CB-CG1 3.99Å; M295-V424 HydrophobicContact CE-CG1 4.1Å; M295-V424 HydrophobicContact CG-CG1 4.34Å; M295-L426 HydrophobicContact CE-CB 3.74Å; M295-L426 HydrophobicContact SD-CB 4.15Å; M295-L426 HydrophobicContact SD-CD2 4.11Å; M295-V461 HydrophobicContact CG-CG1 4.02Å; M295-V461 HydrophobicContact CG-CG2 4.2Å
296	L	97.9	Very high	96.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-46.5	175.4	-73.5	160.1	0	0	0	111.5	C292 Y293 G294 L298 C299 K300 P301 I317 E320 G321 F325 Y330 I386	C292-L296 WeakPolarHBondContact O-CG 3.47Å; C292-L296 PolarHBondContact O-N 2.77Å; Y293-L296 PolarHBondContact O-N 3.37Å; G294-L296 VanDerWaalsContact C-N 3.34Å; G294-L296 PolarHBondContact O-N 2.86Å; L296-L298 PolarHBondContact O-N 3.05Å; L296-C299 WeakPolarHBondContact O-CB 3.42Å; L296-C299 PolarHBondContact O-N 2.98Å; L296-K300 PolarHBondContact O-N 2.64Å; L296-P301 VanDerWaalsContact O-CD 3.22Å; L296-P301 WeakPolarHBondContact O-CD 3.36Å; L296-I317 HydrophobicContact CD2-CG2 4.37Å; L296-I317 HydrophobicContact CG-CG2 4.39Å; L296-E320 HydrophobicContact CD1-CB 4.17Å; L296-E320 HydrophobicContact CD1-CG 4.17Å; L296-G321 VanDerWaalsContact CD1-CA 3.47Å; L296-F325 HydrophobicContact CB-CE2 3.78Å; L296-F325 HydrophobicContact CB-CZ 4.49Å; L296-F325 HydrophobicContact CD1-CE2 4.28Å; L296-Y330 HydrophobicContact CD2-CE1 4.2Å; L296-I386 HydrophobicContact CB-CD1 4.46Å; L296-I386 HydrophobicContact CD2-CD1 3.86Å; L296-I386 HydrophobicContact CD2-CG2 4.4Å; L296-I386 HydrophobicContact CG-CD1 3.85Å
297	R	96.6	Very high	96.4	Very high	39 Å²	39	40.3 Å²	40.3	15%	0.147	20%	0.196	C	C	.	.	H	α-helix	trans	-57.8	-34.4	177.7	-77.8	-77.7	-65.8	-161.8	0.2	113	T50 E53 E57 Y293 G294 C299 K300 F325	T50-R297 HydrophobicContact CG2-CB 3.43Å; T50-R297 VanDerWaalsContact CG2-CB 3.43Å; T50-R297 HydrophobicContact CG2-CG 3.77Å; E53-R297 VanDerWaalsContact CB-NH2 3.27Å; E53-R297 IonicContact OE2-NH2 2.75Å; E53-R297 PolarHBondContact OE2-NH2 3.05Å; E53-R297 VanDerWaalsContact OE2-NH2 3.12Å; E57-R297 IonicContact OE2-CZ 3.14Å; E57-R297 IonicContact OE2-NH1 2.58Å; E57-R297 PolarHBondContact OE2-NH1 3.2Å; E57-R297 IonicContact OE2-NH2 3.88Å; Y293-R297 HydrophobicContact CD1-CG 4.29Å; Y293-R297 HydrophobicContact CD2-CG 4.43Å; Y293-R297 HydrophobicContact CE1-CG 3.85Å; Y293-R297 HydrophobicContact CE2-CG 3.95Å; Y293-R297 WeakPolarHBondContact O-CG 3.29Å; Y293-R297 PolarHBondContact O-N 2.98Å; G294-R297 PolarHBondContact O-N 3.29Å; R297-C299 PolarHBondContact O-N 2.93Å; R297-K300 PolarHBondContact O-N 3.49Å; R297-K300 VanDerWaalsContact O-N 3.14Å; R297-F325 HydrophobicContact CG-CZ 4.31Å
298	L	94.4	Very high	96.7	Very high	33 Å²	33	39.6 Å²	39.6	17%	0.173	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-32.6	175.3	-70.4	173.6	0	0	0	112.8	F47 G294 M295 L296 K300 V424 V450 V461	F47-L298 HydrophobicContact CE1-CD1 3.51Å; F47-L298 HydrophobicContact CE1-CD2 4.4Å; F47-L298 HydrophobicContact CE1-CG 3.77Å; F47-L298 HydrophobicContact CZ-CD1 3.8Å; G294-L298 PolarHBondContact O-N 3.41Å; G294-L298 VanDerWaalsContact O-N 3.16Å; M295-L298 WeakPolarHBondContact O-CB 3.44Å; M295-L298 PolarHBondContact O-N 2.98Å; L296-L298 PolarHBondContact O-N 3.05Å; L298-K300 VanDerWaalsContact C-N 3.3Å; L298-V424 HydrophobicContact CB-CG2 4.31Å; L298-V450 HydrophobicContact CD1-CG2 3.89Å; L298-V450 HydrophobicContact CD2-CG2 4.15Å; L298-V461 HydrophobicContact CD1-CG1 3.75Å
299	C	91.3	Very high	96.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-72	-27.2	177.6	-58.9	0	0	0	0	112.3	L296 R297 I384 K422 V424	L296-C299 WeakPolarHBondContact O-CB 3.42Å; L296-C299 PolarHBondContact O-N 2.98Å; R297-C299 PolarHBondContact O-N 2.93Å; C299-I384 HydrophobicContact CB-CD1 3.87Å; C299-I384 HydrophobicContact CB-CG1 4.34Å; C299-I384 HydrophobicContact CB-CG2 3.77Å; C299-I384 VanDerWaalsContact SG-CG2 3.51Å; C299-K422 WeakPolarHBondContact O-CD 3.28Å; C299-K422 PolarHBondContact O-NZ 3.47Å; C299-V424 WeakPolarHBondContact SG-CG2 3.42Å
300	K	94.2	Very high	96.9	Very high	139 Å²	139	33.4 Å²	33.4	60%	0.604	17%	0.169	S	C	*	.			trans	51.8	65.9	-167	-56.6	-177.6	177.3	-173.4	0	111.8	L296 R297 L298 Q302	L296-K300 PolarHBondContact O-N 2.64Å; R297-K300 PolarHBondContact O-N 3.49Å; R297-K300 VanDerWaalsContact O-N 3.14Å; L298-K300 VanDerWaalsContact C-N 3.3Å; K300-Q302 PolarHBondContact O-N 3.12Å; K300-Q302 PolarHBondContact O-NE2 3.12Å
301	P	96.3	Very high	96.8	Very high	16 Å²	16	35 Å²	35	10%	0.104	18%	0.177	C	C	.	.			trans	-47.7	135.5	175.1	-28.9	37.2	0	0	0	111.5	L296 I307 F325 I384	L296-P301 VanDerWaalsContact O-CD 3.22Å; L296-P301 WeakPolarHBondContact O-CD 3.36Å; P301-I307 HydrophobicContact CB-CD1 3.91Å; P301-I307 HydrophobicContact CG-CD1 4.04Å; P301-F325 HydrophobicContact CB-CB 4.3Å; P301-F325 HydrophobicContact CB-CD1 4.33Å; P301-F325 HydrophobicContact CB-CG 4.19Å; P301-F325 HydrophobicContact CG-CD1 4.41Å; P301-F325 HydrophobicContact CG-CD2 4.23Å; P301-F325 HydrophobicContact CG-CE2 4.44Å; P301-F325 HydrophobicContact CG-CG 4.22Å; P301-I384 HydrophobicContact CB-CD1 4.42Å; P301-I384 HydrophobicContact CG-CD1 4.42Å
302	Q	96.6	Very high	96.8	Very high	119 Å²	119	35 Å²	35	56%	0.556	18%	0.177	S	C	*	.			trans	-107.7	164.3	173.5	-57.3	-58.4	-76.2	0	0	110	K300 S304 D305 S328	K300-Q302 PolarHBondContact O-N 3.12Å; K300-Q302 PolarHBondContact O-NE2 3.12Å; Q302-S304 PolarHBondContact O-N 3.46Å; Q302-D305 PolarHBondContact N-OD2 3.41Å; Q302-D305 WeakPolarHBondContact O-CB 3.39Å; Q302-D305 PolarHBondContact O-N 3.37Å; Q302-S328 PolarHBondContact O-OG 2.97Å
303	E	95.4	Very high	96.7	Very high	156 Å²	156	35.8 Å²	35.8	73%	0.729	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	138	171.7	-62.4	176.6	-174.3	0	0	110.1	D305 E327	E303-D305 PolarHBondContact O-N 2.74Å; E303-E327 HydrophobicContact CB-CB 4.21Å; E303-E327 HydrophobicContact CG-CB 3.91Å; E303-E327 HydrophobicContact CG-CG 4.3Å
304	S	96.1	Very high	96.7	Very high	105 Å²	105	36.1 Å²	36.1	73%	0.734	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	7.1	-177.7	-50.1	0	0	0	0	116.5	Q302 I306 E327	Q302-S304 PolarHBondContact O-N 3.46Å; S304-I306 PolarHBondContact O-N 2.83Å; S304-E327 WeakPolarHBondContact CA-O 3.34Å; S304-E327 PolarHBondContact N-O 2.99Å
305	D	98.3	Very high	96.7	Very high	23 Å²	23	36.1 Å²	36.1	12%	0.123	19%	0.188	C	C	.	.			trans	-60.4	135.8	171.9	-84.2	-12.7	0	0	0	110.7	Q302 E303 I307 S328 F329 D383 I384	Q302-D305 PolarHBondContact N-OD2 3.41Å; Q302-D305 WeakPolarHBondContact O-CB 3.39Å; Q302-D305 PolarHBondContact O-N 3.37Å; E303-D305 PolarHBondContact O-N 2.74Å; D305-I307 HydrophobicContact CB-CG1 4.18Å; D305-S328 WeakPolarHBondContact O-CA 3.2Å; D305-S328 WeakPolarHBondContact O-CB 3.27Å; D305-F329 PolarHBondContact O-N 3.32Å; D305-D383 HydrophobicContact CB-CB 4.16Å; D305-I384 HydrophobicContact CB-CD1 4.41Å; D305-I384 WeakPolarHBondContact OD2-CD1 3.23Å
306	I	98.6	Very high	96.7	Very high	51 Å²	51	36.4 Å²	36.4	26%	0.262	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	116.1	167.3	-62.6	170.7	0	0	0	108.3	S304 I331 S381 V382 D383 I384	S304-I306 PolarHBondContact O-N 2.83Å; I306-I331 HydrophobicContact CG2-CD1 4.09Å; I306-S381 WeakPolarHBondContact CD1-O 3.44Å; I306-V382 HydrophobicContact CG2-CG2 4.23Å; I306-V382 WeakPolarHBondContact O-CG1 3.34Å; I306-D383 PolarHBondContact N-OD2 2.97Å; I306-D383 PolarHBondContact O-N 3.43Å; I306-I384 PolarHBondContact O-N 3.37Å; I306-I384 VanDerWaalsContact O-N 3.15Å
307	I	98.8	Very high	96.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.9	-174.4	-52.1	-174.6	0	0	0	109.9	P301 D305 F329 Y330 I331 I384 I386	P301-I307 HydrophobicContact CB-CD1 3.91Å; P301-I307 HydrophobicContact CG-CD1 4.04Å; D305-I307 HydrophobicContact CB-CG1 4.18Å; I307-F329 PolarHBondContact N-O 2.99Å; I307-Y330 HydrophobicContact CB-CD1 3.86Å; I307-Y330 HydrophobicContact CB-CE1 3.95Å; I307-Y330 HydrophobicContact CD1-CD1 4.45Å; I307-Y330 HydrophobicContact CD1-CE1 3.69Å; I307-Y330 HydrophobicContact CG1-CE1 4.32Å; I307-Y330 HydrophobicContact CG2-CD1 3.96Å; I307-Y330 HydrophobicContact CG2-CE1 3.94Å; I307-Y330 CarbonylContact O-C 3.59Å; I307-Y330 WeakPolarHBondContact O-CA 3.43Å; I307-I331 PolarHBondContact O-N 3.08Å; I307-I384 CarbonylContact C-O 3.54Å; I307-I384 WeakPolarHBondContact CA-O 3.39Å; I307-I384 HydrophobicContact CD1-CD1 4.28Å; I307-I384 HydrophobicContact CG1-CB 4.19Å; I307-I384 HydrophobicContact CG1-CD1 4.37Å; I307-I384 HydrophobicContact CG2-CB 4.33Å; I307-I384 HydrophobicContact CG2-CG2 4.19Å; I307-I386 HydrophobicContact CG2-CG2 3.7Å
308	L	98.8	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.1	-175.2	-180	67.6	0	0	0	111.3	P310 I331 W370 L375 I377 V382 I384 I385 I386 V415	L308-P310 HydrophobicContact CD2-CB 4.39Å; L308-P310 HydrophobicContact CG-CB 4.32Å; L308-I331 WeakPolarHBondContact CA-O 3.39Å; L308-I331 HydrophobicContact CD1-CB 3.93Å; L308-I331 HydrophobicContact CD1-CG2 4.38Å; L308-W370 HydrophobicContact CD1-CH2 3.39Å; L308-W370 HydrophobicContact CD1-CZ2 3.49Å; L308-W370 VanDerWaalsContact CD1-CZ2 3.49Å; L308-L375 HydrophobicContact CD2-CD1 3.88Å; L308-I377 HydrophobicContact CD1-CD1 3.59Å; L308-I377 HydrophobicContact CD2-CD1 3.72Å; L308-I377 HydrophobicContact CG-CD1 4.32Å; L308-V382 HydrophobicContact CB-CG1 3.67Å; L308-V382 HydrophobicContact CB-CG2 4.32Å; L308-V382 HydrophobicContact CD2-CG1 4.49Å; L308-V382 HydrophobicContact CD2-CG2 4.22Å; L308-I384 PolarHBondContact N-O 3.48Å; L308-I385 HydrophobicContact CB-CG1 4.38Å; L308-I385 HydrophobicContact CD2-CG1 4.44Å; L308-I385 CarbonylContact O-C 3.57Å; L308-I385 WeakPolarHBondContact O-CA 3.19Å; L308-I386 PolarHBondContact O-N 3.5Å; L308-V415 HydrophobicContact CD2-CG2 4.08Å
309	D	98.6	Very high	96.9	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	97.4	162.1	-172.8	-5.6	0	0	0	109.6	M311 C312 P318 I331 G333 I386 T387	D309-M311 VanDerWaalsContact C-N 3.32Å; D309-M311 PolarHBondContact O-N 3.35Å; D309-M311 PolarHBondContact OD1-N 3.23Å; D309-C312 HydrophobicContact CB-CB 4.16Å; D309-C312 PolarHBondContact OD1-N 2.96Å; D309-C312 WeakPolarHBondContact OD2-CA 3.49Å; D309-P318 HydrophobicContact CB-CG 4.18Å; D309-P318 WeakPolarHBondContact OD2-CD 3.48Å; D309-I331 PolarHBondContact N-O 2.97Å; D309-G333 PolarHBondContact O-N 3.5Å; D309-I386 VanDerWaalsContact CA-O 3.27Å; D309-I386 WeakPolarHBondContact CA-O 3.42Å; D309-I386 VanDerWaalsContact CB-O 3.25Å; D309-I386 WeakPolarHBondContact CB-O 3.23Å; D309-T387 WeakPolarHBondContact OD1-CB 3.26Å; D309-T387 PolarHBondContact OD1-OG1 2.92Å
310	P	97.8	Very high	97.2	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-2.3	-173.5	33.7	-35.8	0	0	0	114.6	L308 G333 W370 L372 L375 I385 T387 M412	L308-P310 HydrophobicContact CD2-CB 4.39Å; L308-P310 HydrophobicContact CG-CB 4.32Å; P310-G333 CarbonylContact C-O 3.57Å; P310-W370 HydrophobicContact CB-CZ2 4.49Å; P310-W370 PolarHBondContact O-NE1 2.84Å; P310-W370 VanDerWaalsContact O-NE1 3.16Å; P310-L372 HydrophobicContact CB-CB 4.19Å; P310-L372 HydrophobicContact CB-CD1 3.52Å; P310-L372 HydrophobicContact CB-CD2 4.42Å; P310-L372 HydrophobicContact CB-CG 4.21Å; P310-L372 HydrophobicContact CG-CD1 3.56Å; P310-L372 HydrophobicContact CG-CD2 4.13Å; P310-L372 HydrophobicContact CG-CG 4.32Å; P310-L375 HydrophobicContact CB-CD1 4.48Å; P310-L375 HydrophobicContact CB-CD2 4.06Å; P310-I385 HydrophobicContact CG-CG2 4.27Å; P310-T387 HydrophobicContact CG-CG2 4.49Å; P310-M412 HydrophobicContact CG-CE 3.78Å
311	M	96.5	Very high	97.3	Very high	36 Å²	36	26.8 Å²	26.8	18%	0.177	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.9	60.6	171.6	-64.5	-178.9	-66.1	0	0	109.4	D309 G313 G333 L372 T387 M389 P390	D309-M311 VanDerWaalsContact C-N 3.32Å; D309-M311 PolarHBondContact O-N 3.35Å; D309-M311 PolarHBondContact OD1-N 3.23Å; M311-G313 VanDerWaalsContact C-N 3.28Å; M311-G313 PolarHBondContact O-N 2.87Å; M311-G333 CarbonylContact C-O 3.59Å; M311-G333 WeakPolarHBondContact CA-O 3.34Å; M311-G333 PolarHBondContact N-O 3.27Å; M311-G333 VanDerWaalsContact N-O 3.14Å; M311-L372 HydrophobicContact CE-CD2 3.52Å; M311-L372 HydrophobicContact CG-CB 4.25Å; M311-L372 HydrophobicContact CG-CD2 3.73Å; M311-L372 HydrophobicContact SD-CD2 3.6Å; M311-T387 HydrophobicContact CE-CG2 3.9Å; M311-M389 HydrophobicContact CE-CB 4.16Å; M311-M389 HydrophobicContact CE-CE 3.73Å; M311-M389 HydrophobicContact CE-CG 4.15Å; M311-M389 HydrophobicContact CE-SD 3.21Å; M311-M389 WeakPolarHBondContact CE-SD 3.32Å; M311-P390 HydrophobicContact SD-CG 4.44Å
312	C	96.6	Very high	97.4	Very high	9 Å²	9	26 Å²	26	6%	0.061	14%	0.143	C	C	.	.			trans	-72.1	-17	-162.6	70.8	0	0	0	0	114.7	D309 T314 G315 P318 A332 G333	D309-C312 HydrophobicContact CB-CB 4.16Å; D309-C312 PolarHBondContact OD1-N 2.96Å; D309-C312 WeakPolarHBondContact OD2-CA 3.49Å; C312-T314 PolarHBondContact O-N 3.39Å; C312-G315 PolarHBondContact O-N 3.27Å; C312-P318 HydrophobicContact CB-CG 4.42Å; C312-A332 HydrophobicContact CB-CB 3.88Å; C312-G333 PolarHBondContact N-O 2.89Å; C312-G333 VanDerWaalsContact SG-C 3.56Å; C312-G333 PolarHBondContact SG-O 3.2Å
313	G	96.1	Very high	97.3	Very high	18 Å²	18	21.8 Å²	21.8	19%	0.186	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-100.4	-178.9	0	0	0	0	0	112.2	M311 D334 A339 T343	M311-G313 VanDerWaalsContact C-N 3.28Å; M311-G313 PolarHBondContact O-N 2.87Å; G313-D334 WeakPolarHBondContact CA-OD2 3.22Å; G313-D334 PolarHBondContact N-OD2 2.94Å; G313-A339 CarbonylContact O-C 3.43Å; G313-A339 VanDerWaalsContact O-CA 3.25Å; G313-A339 WeakPolarHBondContact O-CA 3.44Å; G313-A339 VanDerWaalsContact O-CB 3.22Å; G313-A339 WeakPolarHBondContact O-CB 3.43Å; G313-T343 PolarHBondContact O-OG1 2.83Å; G313-T343 VanDerWaalsContact O-OG1 3.07Å
314	T	96.2	Very high	97.3	Very high	8 Å²	8	17 Å²	17	5%	0.049	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	2	177.4	51	0	0	0	0	114.2	T286 C312 A316 R342 N346	T286-T314 WeakPolarHBondContact CG2-OG1 3.28Å; T286-T314 WeakPolarHBondContact OG1-CG2 3.22Å; C312-T314 PolarHBondContact O-N 3.39Å; T314-A316 VanDerWaalsContact C-N 3.34Å; T314-R342 HydrophobicContact CG2-CB 4.33Å; T314-N346 PolarHBondContact O-ND2 2.9Å
315	G	97.1	Very high	97.3	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.01	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	16.5	-177.5	0	0	0	0	0	113.8	C312 I317 P318 L319 T343	C312-G315 PolarHBondContact O-N 3.27Å; G315-I317 VanDerWaalsContact C-N 3.34Å; G315-I317 PolarHBondContact O-N 2.99Å; G315-P318 WeakPolarHBondContact O-CD 3.35Å; G315-P318 WeakPolarHBondContact O-CG 3.31Å; G315-L319 WeakPolarHBondContact O-CB 3.45Å; G315-L319 PolarHBondContact O-N 2.92Å; G315-T343 PolarHBondContact N-OG1 2.84Å; G315-T343 VanDerWaalsContact N-OG1 3.1Å
316	A	97.7	Very high	97.1	Very high	6 Å²	6	15.9 Å²	15.9	5%	0.05	9%	0.091	C	C	.	.	H	α-helix	trans	-60.2	-39.8	-173.7	0	0	0	0	0	113.7	I279 T314 E320	I279-A316 HydrophobicContact CD1-CB 4.08Å; I279-A316 HydrophobicContact CG1-CB 4.26Å; T314-A316 VanDerWaalsContact C-N 3.34Å; A316-E320 WeakPolarHBondContact O-CB 3.39Å; A316-E320 PolarHBondContact O-N 3.11Å
317	I	98.2	Very high	96.9	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-68.9	-59.5	177	-62.2	169	0	0	0	111.3	L287 C292 M295 L296 G315 L319 E320 G321 I386	L287-I317 HydrophobicContact CD1-CD1 4.01Å; L287-I317 HydrophobicContact CD1-CG1 4.21Å; C292-I317 HydrophobicContact CB-CG1 4.15Å; M295-I317 HydrophobicContact CE-CD1 4.05Å; L296-I317 HydrophobicContact CD2-CG2 4.37Å; L296-I317 HydrophobicContact CG-CG2 4.39Å; G315-I317 VanDerWaalsContact C-N 3.34Å; G315-I317 PolarHBondContact O-N 2.99Å; I317-L319 VanDerWaalsContact C-N 3.31Å; I317-L319 PolarHBondContact O-N 3.41Å; I317-E320 WeakPolarHBondContact O-CB 3.38Å; I317-E320 PolarHBondContact O-N 3.23Å; I317-G321 PolarHBondContact O-N 2.92Å; I317-I386 HydrophobicContact CD1-CG1 4.45Å; I317-I386 HydrophobicContact CG2-CB 4.32Å; I317-I386 HydrophobicContact CG2-CD1 3.6Å; I317-I386 HydrophobicContact CG2-CG1 3.79Å; I317-I386 HydrophobicContact CG2-CG2 3.68Å
318	P	98.1	Very high	96.9	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.013	11%	0.107	C	C	.	.	H	α-helix	trans	-66.5	-31.9	-175.3	26.6	-36.9	0	0	0	112.4	D309 C312 G315 G321 A322 Y330 A332 I365	D309-P318 HydrophobicContact CB-CG 4.18Å; D309-P318 WeakPolarHBondContact OD2-CD 3.48Å; C312-P318 HydrophobicContact CB-CG 4.42Å; G315-P318 WeakPolarHBondContact O-CD 3.35Å; G315-P318 WeakPolarHBondContact O-CG 3.31Å; P318-G321 PolarHBondContact O-N 3.45Å; P318-A322 VanDerWaalsContact O-CB 3.29Å; P318-A322 WeakPolarHBondContact O-CB 3.38Å; P318-A322 PolarHBondContact O-N 3.26Å; P318-Y330 HydrophobicContact CB-CD1 4.1Å; P318-Y330 HydrophobicContact CB-CG 4.48Å; P318-A332 HydrophobicContact CB-CB 4.18Å; P318-A332 HydrophobicContact CG-CB 3.62Å; P318-I365 HydrophobicContact CB-CD1 3.66Å; P318-I365 HydrophobicContact CB-CG1 4.43Å; P318-I365 HydrophobicContact CG-CD1 4.07Å
319	L	97.6	Very high	96.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-68.4	-39.3	174.6	-175	60.8	0	0	0	112.3	N278 I279 G315 I317 G321 I323 N346 I347 I350 L363	N278-L319 HydrophobicContact CB-CD2 4.15Å; N278-L319 HydrophobicContact CB-CG 4.37Å; N278-L319 WeakPolarHBondContact O-CD2 3.32Å; I279-L319 HydrophobicContact CD1-CD2 3.93Å; G315-L319 WeakPolarHBondContact O-CB 3.45Å; G315-L319 PolarHBondContact O-N 2.92Å; I317-L319 VanDerWaalsContact C-N 3.31Å; I317-L319 PolarHBondContact O-N 3.41Å; L319-G321 VanDerWaalsContact C-N 3.29Å; L319-G321 PolarHBondContact O-N 3.28Å; L319-I323 HydrophobicContact CD1-CD1 4.2Å; L319-I323 HydrophobicContact CG-CD1 4.16Å; L319-I323 VanDerWaalsContact O-CD1 3.31Å; L319-I323 WeakPolarHBondContact O-CD1 3.47Å; L319-I323 WeakPolarHBondContact O-CG1 3.24Å; L319-I323 PolarHBondContact O-N 3.22Å; L319-N346 HydrophobicContact CD2-CB 3.97Å; L319-I347 HydrophobicContact CD1-CG1 4.28Å; L319-I350 HydrophobicContact CD1-CB 4.4Å; L319-I350 HydrophobicContact CD1-CG1 4.27Å; L319-I350 HydrophobicContact CD2-CG1 4.09Å; L319-L363 HydrophobicContact CD1-CD1 3.71Å
320	E	97.9	Very high	96.8	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-61.1	-42.7	174.1	-175.2	66.7	-163.9	0	0	110.8	R88 R277 N278 S289 C292 L296 A316 I317 E324	R88-E320 IonicContact CZ-OE1 3.28Å; R88-E320 IonicContact NE-OE1 3.72Å; R88-E320 PolarHBondContact NE-OE1 3Å; R88-E320 IonicContact NH2-OE1 3.27Å; R88-E320 PolarHBondContact NH2-OE1 3.35Å; R88-E320 IonicContact NH2-OE2 2.76Å; R88-E320 PolarHBondContact NH2-OE2 3.47Å; R277-E320 IonicContact CZ-OE1 2.77Å; R277-E320 IonicContact NE-OE1 3.11Å; R277-E320 PolarHBondContact NE-OE1 3.21Å; R277-E320 IonicContact NE-OE2 3.56Å; R277-E320 PolarHBondContact NE-OE2 3.48Å; R277-E320 IonicContact NH2-OE1 2.99Å; R277-E320 PolarHBondContact NH2-OE1 3.21Å; R277-E320 IonicContact NH2-OE2 2.82Å; N278-E320 PolarHBondContact ND2-OE2 2.77Å; S289-E320 WeakPolarHBondContact CB-OE2 3.25Å; C292-E320 HydrophobicContact CB-CB 3.95Å; C292-E320 HydrophobicContact CB-CG 4.02Å; L296-E320 HydrophobicContact CD1-CB 4.17Å; L296-E320 HydrophobicContact CD1-CG 4.17Å; A316-E320 WeakPolarHBondContact O-CB 3.39Å; A316-E320 PolarHBondContact O-N 3.11Å; I317-E320 WeakPolarHBondContact O-CB 3.38Å; I317-E320 PolarHBondContact O-N 3.23Å; E320-E324 PolarHBondContact O-N 3.08Å
321	G	97.3	Very high	96.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67	-51	178	0	0	0	0	0	113.3	L296 I317 P318 L319 I323 E324 F325 Y330	L296-G321 VanDerWaalsContact CD1-CA 3.47Å; I317-G321 PolarHBondContact O-N 2.92Å; P318-G321 PolarHBondContact O-N 3.45Å; L319-G321 VanDerWaalsContact C-N 3.29Å; L319-G321 PolarHBondContact O-N 3.28Å; G321-I323 PolarHBondContact O-N 3.27Å; G321-E324 PolarHBondContact O-N 3.45Å; G321-F325 PolarHBondContact O-N 3.32Å; G321-Y330 VanDerWaalsContact CA-CZ 3.47Å; G321-Y330 VanDerWaalsContact CA-OH 3.27Å; G321-Y330 WeakPolarHBondContact CA-OH 3.45Å; G321-Y330 PolarHBondContact O-OH 3.36Å; G321-Y330 VanDerWaalsContact O-OH 3.11Å
322	A	96.8	Very high	97	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.2	-22.4	-179.9	0	0	0	0	0	113.4	P318 Y330 L363 P364 I365	P318-A322 VanDerWaalsContact O-CB 3.29Å; P318-A322 WeakPolarHBondContact O-CB 3.38Å; P318-A322 PolarHBondContact O-N 3.26Å; A322-Y330 VanDerWaalsContact CA-CE2 3.44Å; A322-Y330 HydrophobicContact CB-CD2 3.73Å; A322-Y330 HydrophobicContact CB-CE2 4.1Å; A322-Y330 HydrophobicContact CB-CG 4.22Å; A322-L363 HydrophobicContact CB-CD2 4.37Å; A322-P364 HydrophobicContact CB-CG 4.22Å; A322-I365 HydrophobicContact CB-CB 4.11Å; A322-I365 HydrophobicContact CB-CG2 4.37Å
323	I	95.2	Very high	97	Very high	30 Å²	30	22.3 Å²	22.3	15%	0.154	12%	0.118	C	C	.	.	H	α-helix	trans	-82.4	-36.1	175.4	-67.7	168.5	0	0	0	112	R88 N278 L319 G321 I350 L363	R88-I323 VanDerWaalsContact NH1-CG2 3.27Å; N278-I323 HydrophobicContact CB-CD1 4.07Å; N278-I323 WeakPolarHBondContact OD1-CD1 3.49Å; L319-I323 HydrophobicContact CD1-CD1 4.2Å; L319-I323 HydrophobicContact CG-CD1 4.16Å; L319-I323 VanDerWaalsContact O-CD1 3.31Å; L319-I323 WeakPolarHBondContact O-CD1 3.47Å; L319-I323 WeakPolarHBondContact O-CG1 3.24Å; L319-I323 PolarHBondContact O-N 3.22Å; G321-I323 PolarHBondContact O-N 3.27Å; I323-I350 HydrophobicContact CD1-CG2 4.01Å; I323-I350 HydrophobicContact CG1-CG2 4.39Å; I323-L363 HydrophobicContact CG1-CD2 4.04Å
324	E	94.8	Very high	97.1	Very high	56 Å²	56	22.4 Å²	22.4	26%	0.262	12%	0.115	S	C	.	.	H	α-helix	trans	-103.1	-37.9	-168.4	-174.8	64.5	178.9	0	0	114.1	K58 R88 Y293 E320 G321	K58-E324 IonicContact NZ-OE1 3.24Å; K58-E324 PolarHBondContact NZ-OE1 2.89Å; R88-E324 WeakPolarHBondContact CD-OE2 3.38Å; R88-E324 IonicContact CZ-OE2 3.92Å; R88-E324 IonicContact NE-OE2 2.8Å; R88-E324 IonicContact NH1-OE2 3.38Å; R88-E324 PolarHBondContact NH1-OE2 2.8Å; Y293-E324 HydrophobicContact CD2-CG 4.14Å; Y293-E324 HydrophobicContact CE2-CG 3.61Å; E320-E324 PolarHBondContact O-N 3.08Å; G321-E324 PolarHBondContact O-N 3.45Å
325	F	95.9	Very high	97	Very high	39 Å²	39	27 Å²	27	17%	0.171	14%	0.139	C	C	.	.			trans	-114.3	72.2	174.8	-40.4	-88.7	0	0	0	107.8	Y293 L296 R297 P301 G321 E327 S328 Y330	Y293-F325 HydrophobicContact CD2-CE2 4.32Å; Y293-F325 HydrophobicContact CD2-CZ 4.36Å; Y293-F325 HydrophobicContact CE2-CE2 4.18Å; Y293-F325 AromaticContact CE2-CZ 3.82Å; Y293-F325 HydrophobicContact CE2-CZ 3.82Å; L296-F325 HydrophobicContact CB-CE2 3.78Å; L296-F325 HydrophobicContact CB-CZ 4.49Å; L296-F325 HydrophobicContact CD1-CE2 4.28Å; R297-F325 HydrophobicContact CG-CZ 4.31Å; P301-F325 HydrophobicContact CB-CB 4.3Å; P301-F325 HydrophobicContact CB-CD1 4.33Å; P301-F325 HydrophobicContact CB-CG 4.19Å; P301-F325 HydrophobicContact CG-CD1 4.41Å; P301-F325 HydrophobicContact CG-CD2 4.23Å; P301-F325 HydrophobicContact CG-CE2 4.44Å; P301-F325 HydrophobicContact CG-CG 4.22Å; G321-F325 PolarHBondContact O-N 3.32Å; F325-E327 PolarHBondContact O-N 3.11Å; F325-S328 PolarHBondContact O-N 2.79Å; F325-Y330 WeakPolarHBondContact CB-OH 3.41Å; F325-Y330 WeakPolarHBondContact O-CE2 3.02Å; F325-Y330 PolarHBondContact O-OH 3.31Å
326	S	94.4	Very high	96.9	Very high	65 Å²	65	30.2 Å²	30.2	46%	0.455	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.3	-175.4	51.9	0	0	0	0	114.2	S328	S326-S328 PolarHBondContact O-N 2.83Å
327	E	95.5	Very high	96.9	Very high	122 Å²	122	33.6 Å²	33.6	57%	0.57	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-4.7	179.8	-51.9	-47.7	116.2	0	0	112.7	E303 S304 F325	E303-E327 HydrophobicContact CB-CB 4.21Å; E303-E327 HydrophobicContact CG-CB 3.91Å; E303-E327 HydrophobicContact CG-CG 4.3Å; S304-E327 WeakPolarHBondContact CA-O 3.34Å; S304-E327 PolarHBondContact N-O 2.99Å; F325-E327 PolarHBondContact O-N 3.11Å
328	S	97.4	Very high	96.7	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.028	20%	0.197	C	C	.	.	S	Bend	trans	-103.4	154.2	172.9	-49.9	0	0	0	0	110.6	Q302 D305 F325 S326 Y330 P364	Q302-S328 PolarHBondContact O-OG 2.97Å; D305-S328 WeakPolarHBondContact O-CA 3.2Å; D305-S328 WeakPolarHBondContact O-CB 3.27Å; F325-S328 PolarHBondContact O-N 2.79Å; S326-S328 PolarHBondContact O-N 2.83Å; S328-Y330 WeakPolarHBondContact O-CE2 3.41Å; S328-P364 WeakPolarHBondContact O-CG 3.17Å
329	F	98.2	Very high	96.6	Very high	79 Å²	79	38.8 Å²	38.8	35%	0.346	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.4	175.6	-168.6	-97.7	0	0	0	111.3	D305 I307 I331 P364 D366	D305-F329 PolarHBondContact O-N 3.32Å; I307-F329 PolarHBondContact N-O 2.99Å; F329-I331 HydrophobicContact CD1-CG1 4.01Å; F329-I331 HydrophobicContact CE1-CG1 3.91Å; F329-P364 HydrophobicContact CD2-CB 4.07Å; F329-D366 HydrophobicContact CE1-CB 4.44Å; F329-D366 HydrophobicContact CZ-CB 4.18Å; F329-D366 WeakPolarHBondContact CZ-OD2 3.37Å
330	Y	98.6	Very high	96.6	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.1	-174	-64	-97	0	0	0	111.1	L296 I307 P318 G321 A322 F325 S328 P364 I365 D366	L296-Y330 HydrophobicContact CD2-CE1 4.2Å; I307-Y330 HydrophobicContact CB-CD1 3.86Å; I307-Y330 HydrophobicContact CB-CE1 3.95Å; I307-Y330 HydrophobicContact CD1-CD1 4.45Å; I307-Y330 HydrophobicContact CD1-CE1 3.69Å; I307-Y330 HydrophobicContact CG1-CE1 4.32Å; I307-Y330 HydrophobicContact CG2-CD1 3.96Å; I307-Y330 HydrophobicContact CG2-CE1 3.94Å; I307-Y330 CarbonylContact O-C 3.59Å; I307-Y330 WeakPolarHBondContact O-CA 3.43Å; P318-Y330 HydrophobicContact CB-CD1 4.1Å; P318-Y330 HydrophobicContact CB-CG 4.48Å; G321-Y330 VanDerWaalsContact CA-CZ 3.47Å; G321-Y330 VanDerWaalsContact CA-OH 3.27Å; G321-Y330 WeakPolarHBondContact CA-OH 3.45Å; G321-Y330 PolarHBondContact O-OH 3.36Å; G321-Y330 VanDerWaalsContact O-OH 3.11Å; A322-Y330 VanDerWaalsContact CA-CE2 3.44Å; A322-Y330 HydrophobicContact CB-CD2 3.73Å; A322-Y330 HydrophobicContact CB-CE2 4.1Å; A322-Y330 HydrophobicContact CB-CG 4.22Å; F325-Y330 WeakPolarHBondContact CB-OH 3.41Å; F325-Y330 WeakPolarHBondContact O-CE2 3.02Å; F325-Y330 PolarHBondContact O-OH 3.31Å; S328-Y330 WeakPolarHBondContact O-CE2 3.41Å; Y330-P364 HydrophobicContact CD2-CG 4.41Å; Y330-P364 WeakPolarHBondContact CD2-O 3.4Å; Y330-P364 PolarHBondContact N-O 2.95Å; Y330-I365 VanDerWaalsContact O-CA 3.28Å; Y330-I365 WeakPolarHBondContact O-CA 3.44Å; Y330-D366 PolarHBondContact O-N 3.03Å
331	I	98.4	Very high	96.6	Very high	31 Å²	31	42.8 Å²	42.8	16%	0.159	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.1	170.7	-39.8	177.7	0	0	0	107.7	I306 I307 L308 D309 F329 V368 W370	I306-I331 HydrophobicContact CG2-CD1 4.09Å; I307-I331 PolarHBondContact O-N 3.08Å; L308-I331 WeakPolarHBondContact CA-O 3.39Å; L308-I331 HydrophobicContact CD1-CB 3.93Å; L308-I331 HydrophobicContact CD1-CG2 4.38Å; D309-I331 PolarHBondContact N-O 2.97Å; F329-I331 HydrophobicContact CD1-CG1 4.01Å; F329-I331 HydrophobicContact CE1-CG1 3.91Å; I331-V368 HydrophobicContact CG2-CG2 4.42Å; I331-W370 HydrophobicContact CB-CH2 4.29Å; I331-W370 HydrophobicContact CG2-CH2 3.46Å; I331-W370 VanDerWaalsContact CG2-CH2 3.46Å; I331-W370 HydrophobicContact CG2-CZ3 3.95Å
332	A	98.1	Very high	96.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.6	177.6	0	0	0	0	0	109	C312 P318 T343 I365 D366 T367 V368	C312-A332 HydrophobicContact CB-CB 3.88Å; P318-A332 HydrophobicContact CB-CB 4.18Å; P318-A332 HydrophobicContact CG-CB 3.62Å; A332-T343 HydrophobicContact CB-CG2 4.16Å; A332-I365 HydrophobicContact CB-CD1 4.43Å; A332-D366 PolarHBondContact N-O 3.5Å; A332-T367 HydrophobicContact CB-CG2 4.45Å; A332-T367 CarbonylContact O-C 3.13Å; A332-T367 VanDerWaalsContact O-CA 3.22Å; A332-T367 WeakPolarHBondContact O-CA 3.04Å; A332-V368 PolarHBondContact O-N 3Å
333	G	97.4	Very high	96.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	161.5	168.5	0	0	0	0	0	113.9	D309 P310 M311 C312 V368	D309-G333 PolarHBondContact O-N 3.5Å; P310-G333 CarbonylContact C-O 3.57Å; M311-G333 CarbonylContact C-O 3.59Å; M311-G333 WeakPolarHBondContact CA-O 3.34Å; M311-G333 PolarHBondContact N-O 3.27Å; M311-G333 VanDerWaalsContact N-O 3.14Å; C312-G333 PolarHBondContact N-O 2.89Å; C312-G333 VanDerWaalsContact SG-C 3.56Å; C312-G333 PolarHBondContact SG-O 3.2Å; G333-V368 WeakPolarHBondContact CA-O 3.34Å
334	D	97.4	Very high	96.7	Very high	20 Å²	20	47.4 Å²	47.4	11%	0.107	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.3	-176.8	-156.5	-69.1	0	0	0	108.6	G313 N336 A339 V340 V368 Q369 W370	G313-D334 WeakPolarHBondContact CA-OD2 3.22Å; G313-D334 PolarHBondContact N-OD2 2.94Å; D334-N336 VanDerWaalsContact C-N 3.33Å; D334-N336 WeakPolarHBondContact OD1-CB 3.32Å; D334-N336 PolarHBondContact OD1-N 3.15Å; D334-A339 HydrophobicContact CB-CB 3.87Å; D334-V340 HydrophobicContact CB-CG2 4.13Å; D334-V368 PolarHBondContact N-O 3.24Å; D334-Q369 WeakPolarHBondContact O-CA 3.26Å; D334-W370 CarbonylContact C-O 3.6Å; D334-W370 VanDerWaalsContact C-O 3.27Å; D334-W370 PolarHBondContact O-N 2.93Å; D334-W370 VanDerWaalsContact O-N 3.11Å
335	N	95.8	Very high	96.8	Very high	106 Å²	106	48.2 Å²	48.2	57%	0.567	25%	0.25	S	C	*	.	S	Bend	trans	-81.3	-21.2	176.3	68.1	-0.9	0	0	0	112.1	Q369 W370	N335-Q369 PolarHBondContact O-NE2 2.99Å; N335-W370 WeakPolarHBondContact CA-O 3.36Å; N335-W370 WeakPolarHBondContact CB-O 3.36Å; N335-W370 PolarHBondContact N-O 3.23Å; N335-W370 VanDerWaalsContact N-O 3.12Å
336	N	95.1	Very high	96.9	Very high	67 Å²	67	46.4 Å²	46.4	36%	0.358	24%	0.242	S	C	.	.			trans	-88.9	117.1	-179.9	-172.8	-17.5	0	0	0	110.8	D334 M338 A339 V340	D334-N336 VanDerWaalsContact C-N 3.33Å; D334-N336 WeakPolarHBondContact OD1-CB 3.32Å; D334-N336 PolarHBondContact OD1-N 3.15Å; N336-M338 PolarHBondContact O-N 3.49Å; N336-M338 WeakPolarHBondContact OD1-CB 3.41Å; N336-M338 PolarHBondContact OD1-N 3.34Å; N336-A339 HydrophobicContact CB-CB 4Å; N336-A339 WeakPolarHBondContact O-CA 3.39Å; N336-A339 VanDerWaalsContact O-CB 3.28Å; N336-A339 WeakPolarHBondContact O-CB 3.5Å; N336-A339 PolarHBondContact O-N 2.99Å; N336-V340 PolarHBondContact O-N 3.19Å; N336-V340 VanDerWaalsContact O-N 3.12Å
337	D	96.2	Very high	97	Very high	77 Å²	77	44 Å²	44	41%	0.412	22%	0.224	S	C	.	.	H	α-helix	trans	-54.7	-38.8	176.7	178	63.2	0	0	0	112.9	A339 V340 N341	D337-A339 PolarHBondContact O-N 2.69Å; D337-V340 PolarHBondContact O-N 3.13Å; D337-N341 VanDerWaalsContact CG-ND2 3.34Å; D337-N341 WeakPolarHBondContact O-CB 3.49Å; D337-N341 PolarHBondContact O-N 2.8Å; D337-N341 PolarHBondContact O-ND2 3.05Å; D337-N341 VanDerWaalsContact O-ND2 3.15Å; D337-N341 PolarHBondContact OD1-ND2 3.37Å; D337-N341 PolarHBondContact OD2-ND2 3.2Å
338	M	95.4	Very high	97	Very high	108 Å²	108	40.4 Å²	40.4	53%	0.532	21%	0.211	S	C	.	.	H	α-helix	trans	-66.2	-25.9	176.5	-72.2	-89.6	-74.5	0	0	113.1	N336 R342	N336-M338 PolarHBondContact O-N 3.49Å; N336-M338 WeakPolarHBondContact OD1-CB 3.41Å; N336-M338 PolarHBondContact OD1-N 3.34Å; M338-R342 VanDerWaalsContact O-CG 3.27Å; M338-R342 WeakPolarHBondContact O-CG 3.43Å; M338-R342 PolarHBondContact O-N 2.96Å; M338-R342 PolarHBondContact O-NH1 3.2Å
339	A	95.6	Very high	96.9	Very high	7 Å²	7	44.1 Å²	44.1	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-76	-47.5	174.8	0	0	0	0	0	110	G313 D334 N336 D337 N341 R342 T343	G313-A339 CarbonylContact O-C 3.43Å; G313-A339 VanDerWaalsContact O-CA 3.25Å; G313-A339 WeakPolarHBondContact O-CA 3.44Å; G313-A339 VanDerWaalsContact O-CB 3.22Å; G313-A339 WeakPolarHBondContact O-CB 3.43Å; D334-A339 HydrophobicContact CB-CB 3.87Å; N336-A339 HydrophobicContact CB-CB 4Å; N336-A339 WeakPolarHBondContact O-CA 3.39Å; N336-A339 VanDerWaalsContact O-CB 3.28Å; N336-A339 WeakPolarHBondContact O-CB 3.5Å; N336-A339 PolarHBondContact O-N 2.99Å; D337-A339 PolarHBondContact O-N 2.69Å; A339-N341 PolarHBondContact O-N 3.39Å; A339-R342 PolarHBondContact O-N 2.93Å; A339-R342 VanDerWaalsContact O-N 3.17Å; A339-T343 PolarHBondContact O-N 2.89Å; A339-T343 PolarHBondContact O-OG1 3.35Å; A339-T343 VanDerWaalsContact O-OG1 3.06Å
340	V	97.1	Very high	96.8	Very high	15 Å²	15	40.7 Å²	40.7	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-54.8	-49.6	173.9	173	0	0	0	0	111.1	D334 N336 D337 R342 T343 V344 T367 Q369	D334-V340 HydrophobicContact CB-CG2 4.13Å; N336-V340 PolarHBondContact O-N 3.19Å; N336-V340 VanDerWaalsContact O-N 3.12Å; D337-V340 PolarHBondContact O-N 3.13Å; V340-R342 PolarHBondContact O-N 3.44Å; V340-T343 WeakPolarHBondContact O-CB 3.45Å; V340-T343 PolarHBondContact O-N 3.44Å; V340-T343 VanDerWaalsContact O-N 3.09Å; V340-V344 WeakPolarHBondContact O-CG2 3.47Å; V340-V344 PolarHBondContact O-N 3.28Å; V340-T367 HydrophobicContact CG1-CG2 3.91Å; V340-Q369 HydrophobicContact CG2-CB 4.05Å; V340-Q369 HydrophobicContact CG2-CG 4.25Å
341	N	97.3	Very high	96.5	Very high	72 Å²	72	43.1 Å²	43.1	39%	0.385	23%	0.225	S	C	.	.	H	α-helix	trans	-60.5	-40.3	178.1	-75.7	-39.5	0	0	0	113	D337 A339 N345	D337-N341 VanDerWaalsContact CG-ND2 3.34Å; D337-N341 WeakPolarHBondContact O-CB 3.49Å; D337-N341 PolarHBondContact O-N 2.8Å; D337-N341 PolarHBondContact O-ND2 3.05Å; D337-N341 VanDerWaalsContact O-ND2 3.15Å; D337-N341 PolarHBondContact OD1-ND2 3.37Å; D337-N341 PolarHBondContact OD2-ND2 3.2Å; A339-N341 PolarHBondContact O-N 3.39Å; N341-N345 WeakPolarHBondContact O-CB 3.2Å; N341-N345 VanDerWaalsContact O-CG 3.29Å; N341-N345 PolarHBondContact O-N 3.27Å; N341-N345 PolarHBondContact O-ND2 2.6Å
342	R	97.3	Very high	96.2	Very high	68 Å²	68	48.6 Å²	48.6	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-64.7	-40.3	174.1	-75.6	179.7	-174.1	105	-3.3	112	H281 F282 T314 M338 A339 V340 N345 N346	H281-R342 HydrophobicContact CB-CB 4.49Å; H281-R342 HydrophobicContact CB-CG 4.45Å; F282-R342 PolarHBondContact O-NE 2.79Å; T314-R342 HydrophobicContact CG2-CB 4.33Å; M338-R342 VanDerWaalsContact O-CG 3.27Å; M338-R342 WeakPolarHBondContact O-CG 3.43Å; M338-R342 PolarHBondContact O-N 2.96Å; M338-R342 PolarHBondContact O-NH1 3.2Å; A339-R342 PolarHBondContact O-N 2.93Å; A339-R342 VanDerWaalsContact O-N 3.17Å; V340-R342 PolarHBondContact O-N 3.44Å; R342-N345 PolarHBondContact O-N 2.87Å; R342-N346 PolarHBondContact O-N 2.88Å; R342-N346 PolarHBondContact O-ND2 3.08Å
343	T	97.6	Very high	95.9	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-50.1	176.7	-61.5	0	0	0	0	110.9	G313 G315 A332 A339 V340 N345 N346 I347 T367	G313-T343 PolarHBondContact O-OG1 2.83Å; G313-T343 VanDerWaalsContact O-OG1 3.07Å; G315-T343 PolarHBondContact N-OG1 2.84Å; G315-T343 VanDerWaalsContact N-OG1 3.1Å; A332-T343 HydrophobicContact CB-CG2 4.16Å; A339-T343 PolarHBondContact O-N 2.89Å; A339-T343 PolarHBondContact O-OG1 3.35Å; A339-T343 VanDerWaalsContact O-OG1 3.06Å; V340-T343 WeakPolarHBondContact O-CB 3.45Å; V340-T343 PolarHBondContact O-N 3.44Å; V340-T343 VanDerWaalsContact O-N 3.09Å; T343-N345 VanDerWaalsContact C-N 3.34Å; T343-N345 PolarHBondContact O-N 3.04Å; T343-N346 PolarHBondContact O-N 3.23Å; T343-I347 HydrophobicContact CG2-CD1 3.9Å; T343-I347 WeakPolarHBondContact O-CG1 3.45Å; T343-I347 PolarHBondContact O-N 3.28Å; T343-T367 HydrophobicContact CG2-CG2 3.75Å
344	V	97.4	Very high	95.5	Very high	58 Å²	58	56.4 Å²	56.4	35%	0.352	28%	0.277	S	S	.	.	H	α-helix	trans	-57.6	-45.9	175.7	173.2	0	0	0	0	111.3	V340 N346 I347 C348 T367	V340-V344 WeakPolarHBondContact O-CG2 3.47Å; V340-V344 PolarHBondContact O-N 3.28Å; V344-N346 VanDerWaalsContact C-N 3.34Å; V344-N346 PolarHBondContact O-N 2.98Å; V344-I347 PolarHBondContact O-N 3.03Å; V344-C348 WeakPolarHBondContact O-CB 3.47Å; V344-C348 PolarHBondContact O-N 3.24Å; V344-C348 PolarHBondContact O-SG 2.84Å; V344-C348 VanDerWaalsContact O-SG 3.33Å; V344-T367 HydrophobicContact CG2-CG2 4.24Å
345	N	97.4	Very high	95.1	Very high	72 Å²	72	57.7 Å²	57.7	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-37.6	178.7	-75.6	-36	0	0	0	113.1	H281 N341 R342 T343 H349	H281-N345 HydrophobicContact CB-CB 4.42Å; N341-N345 WeakPolarHBondContact O-CB 3.2Å; N341-N345 VanDerWaalsContact O-CG 3.29Å; N341-N345 PolarHBondContact O-N 3.27Å; N341-N345 PolarHBondContact O-ND2 2.6Å; R342-N345 PolarHBondContact O-N 2.87Å; T343-N345 VanDerWaalsContact C-N 3.34Å; T343-N345 PolarHBondContact O-N 3.04Å; N345-H349 WeakPolarHBondContact O-CB 3.3Å; N345-H349 PolarHBondContact O-N 2.88Å
346	N	97.5	Very high	94.8	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-42.5	174.5	-74.6	-37.8	0	0	0	112.1	I279 S280 H281 T314 L319 R342 T343 V344 H349 I350	I279-N346 HydrophobicContact CD1-CB 4.25Å; S280-N346 PolarHBondContact N-OD1 3.39Å; S280-N346 PolarHBondContact OG-OD1 2.98Å; H281-N346 PolarHBondContact N-OD1 3.15Å; H281-N346 PolarHBondContact O-ND2 2.83Å; T314-N346 PolarHBondContact O-ND2 2.9Å; L319-N346 HydrophobicContact CD2-CB 3.97Å; R342-N346 PolarHBondContact O-N 2.88Å; R342-N346 PolarHBondContact O-ND2 3.08Å; T343-N346 PolarHBondContact O-N 3.23Å; V344-N346 VanDerWaalsContact C-N 3.34Å; V344-N346 PolarHBondContact O-N 2.98Å; N346-H349 PolarHBondContact O-N 2.88Å; N346-I350 PolarHBondContact O-N 2.9Å; N346-I350 VanDerWaalsContact O-N 3.16Å
347	I	96.7	Very high	94.3	Very high	14 Å²	14	61.6 Å²	61.6	7%	0.072	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-55.1	174.5	-67.8	162.8	0	0	0	109.5	L319 T343 V344 H349 I350 Q351 L363 I365 T367	L319-I347 HydrophobicContact CD1-CG1 4.28Å; T343-I347 HydrophobicContact CG2-CD1 3.9Å; T343-I347 WeakPolarHBondContact O-CG1 3.45Å; T343-I347 PolarHBondContact O-N 3.28Å; V344-I347 PolarHBondContact O-N 3.03Å; I347-H349 VanDerWaalsContact C-N 3.26Å; I347-H349 PolarHBondContact O-N 3.22Å; I347-I350 PolarHBondContact O-N 2.97Å; I347-Q351 HydrophobicContact CG2-CG 4.13Å; I347-Q351 WeakPolarHBondContact O-CG 3.09Å; I347-Q351 PolarHBondContact O-N 2.74Å; I347-L363 HydrophobicContact CG2-CD1 4.31Å; I347-I365 HydrophobicContact CD1-CD1 3.86Å; I347-I365 HydrophobicContact CD1-CG1 4.17Å; I347-I365 HydrophobicContact CD1-CG2 4.01Å; I347-I365 HydrophobicContact CG1-CD1 4.2Å; I347-I365 HydrophobicContact CG1-CG2 4.11Å; I347-I365 HydrophobicContact CG2-CG2 4.15Å; I347-T367 VanDerWaalsContact CD1-OG1 3.24Å; I347-T367 WeakPolarHBondContact CD1-OG1 3.17Å
348	C	95.5	Very high	93.6	Very high	47 Å²	47	61.5 Å²	61.5	32%	0.318	32%	0.322	S	S	.	.	H	α-helix	trans	-54.4	-41.2	178.4	-74.4	0	0	0	0	112.5	V344 I350 Q351 K352	V344-C348 WeakPolarHBondContact O-CB 3.47Å; V344-C348 PolarHBondContact O-N 3.24Å; V344-C348 PolarHBondContact O-SG 2.84Å; V344-C348 VanDerWaalsContact O-SG 3.33Å; C348-I350 VanDerWaalsContact C-N 3.33Å; C348-I350 PolarHBondContact O-N 2.94Å; C348-Q351 PolarHBondContact O-N 2.98Å; C348-K352 WeakPolarHBondContact O-CB 3.35Å; C348-K352 WeakPolarHBondContact O-CG 3.3Å; C348-K352 PolarHBondContact O-N 3.48Å
349	H	95.3	Very high	92.8	Very high	82 Å²	82	59 Å²	59	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-42.5	176.7	178.7	76	0	0	0	112.1	S280 N345 N346 I347 R353	S280-H349 WeakPolarHBondContact OG-CB 3.33Å; S280-H349 VanDerWaalsContact OG-CG 3.31Å; N345-H349 WeakPolarHBondContact O-CB 3.3Å; N345-H349 PolarHBondContact O-N 2.88Å; N346-H349 PolarHBondContact O-N 2.88Å; I347-H349 VanDerWaalsContact C-N 3.26Å; I347-H349 PolarHBondContact O-N 3.22Å; H349-R353 WeakPolarHBondContact O-CB 3.28Å; H349-R353 PolarHBondContact O-N 3.29Å; H349-R353 VanDerWaalsContact O-N 3.13Å
350	I	94.8	Very high	92	Very high	7 Å²	7	63.8 Å²	63.8	4%	0.036	35%	0.345	C	S	.	.	H	α-helix	trans	-72.9	-40.3	179	-65.4	-64.2	0	0	0	112.2	N278 L319 I323 N346 I347 C348 K352 R353 R354 L363	N278-I350 HydrophobicContact CB-CD1 4.32Å; N278-I350 WeakPolarHBondContact O-CG1 3.39Å; L319-I350 HydrophobicContact CD1-CB 4.4Å; L319-I350 HydrophobicContact CD1-CG1 4.27Å; L319-I350 HydrophobicContact CD2-CG1 4.09Å; I323-I350 HydrophobicContact CD1-CG2 4.01Å; I323-I350 HydrophobicContact CG1-CG2 4.39Å; N346-I350 PolarHBondContact O-N 2.9Å; N346-I350 VanDerWaalsContact O-N 3.16Å; I347-I350 PolarHBondContact O-N 2.97Å; C348-I350 VanDerWaalsContact C-N 3.33Å; C348-I350 PolarHBondContact O-N 2.94Å; I350-K352 PolarHBondContact O-N 3.12Å; I350-R353 PolarHBondContact O-N 3.26Å; I350-R354 HydrophobicContact CG2-CG 4.39Å; I350-R354 WeakPolarHBondContact O-CG 3.49Å; I350-R354 PolarHBondContact O-N 3.38Å; I350-L363 HydrophobicContact CB-CD1 4.26Å; I350-L363 HydrophobicContact CG2-CD1 3.91Å
351	Q	93.9	Very high	91	Very high	52 Å²	52	65.6 Å²	65.6	24%	0.243	36%	0.359	C	S	.	.	H	α-helix	trans	-58.4	-48.4	176.2	-66.5	-177	-29.3	0	0	111	I347 C348 R353 R354 A355 S361 L363	I347-Q351 HydrophobicContact CG2-CG 4.13Å; I347-Q351 WeakPolarHBondContact O-CG 3.09Å; I347-Q351 PolarHBondContact O-N 2.74Å; C348-Q351 PolarHBondContact O-N 2.98Å; Q351-R353 PolarHBondContact O-N 3.33Å; Q351-R354 PolarHBondContact O-N 2.67Å; Q351-R354 VanDerWaalsContact O-N 3.15Å; Q351-A355 PolarHBondContact O-N 3.24Å; Q351-S361 VanDerWaalsContact CG-O 3.24Å; Q351-S361 WeakPolarHBondContact CG-O 3.28Å; Q351-L363 HydrophobicContact CG-CD1 4.08Å; Q351-L363 HydrophobicContact CG-CG 4.39Å
352	K	92.3	Very high	90.4	Very high	146 Å²	146	65.9 Å²	65.9	64%	0.635	37%	0.371	S	S	*	.	H	α-helix	trans	-56.3	-49.2	173.9	-72.2	176.5	-178	-178.4	0	111.8	C348 I350 R354 A355 D356	C348-K352 WeakPolarHBondContact O-CB 3.35Å; C348-K352 WeakPolarHBondContact O-CG 3.3Å; C348-K352 PolarHBondContact O-N 3.48Å; I350-K352 PolarHBondContact O-N 3.12Å; K352-R354 PolarHBondContact O-N 3.05Å; K352-A355 PolarHBondContact O-N 3.39Å; K352-D356 VanDerWaalsContact O-CG 3.23Å; K352-D356 PolarHBondContact O-N 3.46Å
353	R	90.6	Very high	90.2	Very high	105 Å²	105	63.3 Å²	63.3	40%	0.396	36%	0.363	S	S	.	.	H	α-helix	trans	-61.9	-29.1	179.3	-172.7	-177.9	-178.1	-161.6	2.7	113.6	H349 I350 Q351 K357	H349-R353 WeakPolarHBondContact O-CB 3.28Å; H349-R353 PolarHBondContact O-N 3.29Å; H349-R353 VanDerWaalsContact O-N 3.13Å; I350-R353 PolarHBondContact O-N 3.26Å; Q351-R353 PolarHBondContact O-N 3.33Å; R353-K357 WeakPolarHBondContact O-CG 3.35Å
354	R	89.4	Confident	90.1	Very high	59 Å²	59	64.8 Å²	64.8	22%	0.223	37%	0.372	C	S	.	.	H	α-helix	trans	-78.1	-43.1	175.5	-77.2	-179.2	170.9	-150.1	-5	111.4	I350 Q351 K352 D356 K357 G358 S359 L363	I350-R354 HydrophobicContact CG2-CG 4.39Å; I350-R354 WeakPolarHBondContact O-CG 3.49Å; I350-R354 PolarHBondContact O-N 3.38Å; Q351-R354 PolarHBondContact O-N 2.67Å; Q351-R354 VanDerWaalsContact O-N 3.15Å; K352-R354 PolarHBondContact O-N 3.05Å; R354-D356 VanDerWaalsContact C-N 3.32Å; R354-D356 PolarHBondContact O-N 2.95Å; R354-K357 CarbonylContact O-C 2.94Å; R354-K357 WeakPolarHBondContact O-CA 3.24Å; R354-K357 PolarHBondContact O-N 3.02Å; R354-G358 PolarHBondContact O-N 3.43Å; R354-S359 PolarHBondContact O-N 2.86Å; R354-L363 VanDerWaalsContact CZ-CD2 3.42Å; R354-L363 VanDerWaalsContact NH1-CD2 3.26Å
355	A	88.9	Confident	90.1	Very high	48 Å²	48	62.5 Å²	62.5	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-58.1	-44.2	175.4	0	0	0	0	0	111.5	Q351 K352 K357 G358	Q351-A355 PolarHBondContact O-N 3.24Å; K352-A355 PolarHBondContact O-N 3.39Å; A355-K357 PolarHBondContact O-N 3.03Å; A355-G358 PolarHBondContact O-N 3.23Å
356	D	88.6	Confident	90.1	Very high	117 Å²	117	63.4 Å²	63.4	63%	0.626	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.8	176.3	-65.1	-19.5	0	0	0	113.6	K352 R354	K352-D356 VanDerWaalsContact O-CG 3.23Å; K352-D356 PolarHBondContact O-N 3.46Å; R354-D356 VanDerWaalsContact C-N 3.32Å; R354-D356 PolarHBondContact O-N 2.95Å
357	K	85.7	Confident	90.1	Very high	138 Å²	138	65.1 Å²	65.1	60%	0.6	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	8.3	178.9	-66.3	178	179.2	-178.4	0	113.3	R353 R354 A355 S359	R353-K357 WeakPolarHBondContact O-CG 3.35Å; R354-K357 CarbonylContact O-C 2.94Å; R354-K357 WeakPolarHBondContact O-CA 3.24Å; R354-K357 PolarHBondContact O-N 3.02Å; A355-K357 PolarHBondContact O-N 3.03Å; K357-S359 PolarHBondContact O-N 2.81Å
358	G	80.9	Confident	90.1	Very high	74 Å²	74	67 Å²	67	76%	0.763	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	18.2	-176.5	0	0	0	0	0	114	R354 A355	R354-G358 PolarHBondContact O-N 3.43Å; A355-G358 PolarHBondContact O-N 3.23Å
359	S	79.5	Confident	90.2	Very high	57 Å²	57	69.9 Å²	69.9	40%	0.399	39%	0.394	S	S	.	.	S	Bend	trans	-90.2	156.3	174.4	-56.9	0	0	0	0	110.5	R354 K357 S361	R354-S359 PolarHBondContact O-N 2.86Å; K357-S359 PolarHBondContact O-N 2.81Å; S359-S361 PolarHBondContact O-N 2.92Å
360	P	78	Confident	90.3	Very high	106 Å²	106	67 Å²	67	69%	0.688	38%	0.38	S	S	*	.			trans	-51.6	125.2	172.6	-25.5	34	0	0	0	111	A362	P360-A362 VanDerWaalsContact C-N 3.33Å
361	S	75.8	Confident	90.3	Very high	54 Å²	54	70.3 Å²	70.3	38%	0.378	40%	0.397	S	S	.	.			trans	-70.4	-33.4	-178.1	-174.2	0	0	0	0	111.3	Q351 S359	Q351-S361 VanDerWaalsContact CG-O 3.24Å; Q351-S361 WeakPolarHBondContact CG-O 3.28Å; S359-S361 PolarHBondContact O-N 2.92Å
362	A	85.9	Confident	90.3	Very high	77 Å²	77	68.1 Å²	68.1	64%	0.636	39%	0.387	S	S	*	.			trans	-66.1	136.1	-175.9	0	0	0	0	0	112	P360	P360-A362 VanDerWaalsContact C-N 3.33Å
363	L	92.9	Very high	90.2	Very high	15 Å²	15	63.4 Å²	63.4	8%	0.079	37%	0.373	C	S	.	.			trans	-111.6	141.2	167.8	-74.6	168.4	0	0	0	107	L319 A322 I323 I347 I350 Q351 R354 I365	L319-L363 HydrophobicContact CD1-CD1 3.71Å; A322-L363 HydrophobicContact CB-CD2 4.37Å; I323-L363 HydrophobicContact CG1-CD2 4.04Å; I347-L363 HydrophobicContact CG2-CD1 4.31Å; I350-L363 HydrophobicContact CB-CD1 4.26Å; I350-L363 HydrophobicContact CG2-CD1 3.91Å; Q351-L363 HydrophobicContact CG-CD1 4.08Å; Q351-L363 HydrophobicContact CG-CG 4.39Å; R354-L363 VanDerWaalsContact CZ-CD2 3.42Å; R354-L363 VanDerWaalsContact NH1-CD2 3.26Å; L363-I365 HydrophobicContact CB-CG2 3.58Å; L363-I365 HydrophobicContact CD1-CG2 4.44Å; L363-I365 PolarHBondContact O-N 2.83Å
364	P	96.1	Very high	90.4	Very high	31 Å²	31	64.3 Å²	64.3	20%	0.201	39%	0.385	C	S	.	.	S	Bend	trans	-77.1	58.2	178.2	34.6	-38.1	0	0	0	110.5	A322 S328 F329 Y330	A322-P364 HydrophobicContact CB-CG 4.22Å; S328-P364 WeakPolarHBondContact O-CG 3.17Å; F329-P364 HydrophobicContact CD2-CB 4.07Å; Y330-P364 HydrophobicContact CD2-CG 4.41Å; Y330-P364 WeakPolarHBondContact CD2-O 3.4Å; Y330-P364 PolarHBondContact N-O 2.95Å
365	I	97.5	Very high	90.7	Very high	10 Å²	10	61.7 Å²	61.7	5%	0.051	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	126.9	-175.6	-173.5	174.5	0	0	0	111.2	P318 A322 Y330 A332 I347 L363	P318-I365 HydrophobicContact CB-CD1 3.66Å; P318-I365 HydrophobicContact CB-CG1 4.43Å; P318-I365 HydrophobicContact CG-CD1 4.07Å; A322-I365 HydrophobicContact CB-CB 4.11Å; A322-I365 HydrophobicContact CB-CG2 4.37Å; Y330-I365 VanDerWaalsContact O-CA 3.28Å; Y330-I365 WeakPolarHBondContact O-CA 3.44Å; A332-I365 HydrophobicContact CB-CD1 4.43Å; I347-I365 HydrophobicContact CD1-CD1 3.86Å; I347-I365 HydrophobicContact CD1-CG1 4.17Å; I347-I365 HydrophobicContact CD1-CG2 4.01Å; I347-I365 HydrophobicContact CG1-CD1 4.2Å; I347-I365 HydrophobicContact CG1-CG2 4.11Å; I347-I365 HydrophobicContact CG2-CG2 4.15Å; L363-I365 HydrophobicContact CB-CG2 3.58Å; L363-I365 HydrophobicContact CD1-CG2 4.44Å; L363-I365 PolarHBondContact O-N 2.83Å
366	D	97.1	Very high	91	Very high	92 Å²	92	64.1 Å²	64.1	49%	0.492	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	151.6	169.2	-79.9	-15.2	0	0	0	111	F329 Y330 A332	F329-D366 HydrophobicContact CE1-CB 4.44Å; F329-D366 HydrophobicContact CZ-CB 4.18Å; F329-D366 WeakPolarHBondContact CZ-OD2 3.37Å; Y330-D366 PolarHBondContact O-N 3.03Å; A332-D366 PolarHBondContact N-O 3.5Å
367	T	97.3	Very high	91.4	Very high	36 Å²	36	59.6 Å²	59.6	22%	0.221	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.2	177.3	-49.1	0	0	0	0	110.5	A332 V340 T343 V344 I347	A332-T367 HydrophobicContact CB-CG2 4.45Å; A332-T367 CarbonylContact O-C 3.13Å; A332-T367 VanDerWaalsContact O-CA 3.22Å; A332-T367 WeakPolarHBondContact O-CA 3.04Å; V340-T367 HydrophobicContact CG1-CG2 3.91Å; T343-T367 HydrophobicContact CG2-CG2 3.75Å; V344-T367 HydrophobicContact CG2-CG2 4.24Å; I347-T367 VanDerWaalsContact CD1-OG1 3.24Å; I347-T367 WeakPolarHBondContact CD1-OG1 3.17Å
368	V	96.9	Very high	91.9	Very high	54 Å²	54	62.7 Å²	62.7	33%	0.327	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.4	-177.7	-174.2	0	0	0	0	110.1	I331 A332 G333 D334 W370	I331-V368 HydrophobicContact CG2-CG2 4.42Å; A332-V368 PolarHBondContact O-N 3Å; G333-V368 WeakPolarHBondContact CA-O 3.34Å; D334-V368 PolarHBondContact N-O 3.24Å; V368-W370 HydrophobicContact CB-CD2 4.37Å; V368-W370 HydrophobicContact CB-CE3 3.63Å; V368-W370 HydrophobicContact CB-CH2 4.37Å; V368-W370 HydrophobicContact CB-CZ3 3.64Å; V368-W370 HydrophobicContact CG1-CD2 4.4Å; V368-W370 HydrophobicContact CG1-CE3 3.58Å; V368-W370 HydrophobicContact CG1-CZ3 4Å; V368-W370 HydrophobicContact CG2-CE3 4.44Å; V368-W370 HydrophobicContact CG2-CZ3 4.02Å
369	Q	97.4	Very high	92.7	Very high	108 Å²	108	62.2 Å²	62.2	51%	0.505	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127	168.5	-169.3	-177	8.4	0	0	110	D334 N335 V340	D334-Q369 WeakPolarHBondContact O-CA 3.26Å; N335-Q369 PolarHBondContact O-NE2 2.99Å; V340-Q369 HydrophobicContact CG2-CB 4.05Å; V340-Q369 HydrophobicContact CG2-CG 4.25Å
370	W	97.1	Very high	93.5	Very high	20 Å²	20	61.3 Å²	61.3	8%	0.076	35%	0.347	C	S	.	.			trans	-158.6	173.9	179.3	55.9	41.8	0	0	0	112.3	L308 P310 I331 D334 N335 V368 L375 P376 I377	L308-W370 HydrophobicContact CD1-CH2 3.39Å; L308-W370 HydrophobicContact CD1-CZ2 3.49Å; L308-W370 VanDerWaalsContact CD1-CZ2 3.49Å; P310-W370 HydrophobicContact CB-CZ2 4.49Å; P310-W370 PolarHBondContact O-NE1 2.84Å; P310-W370 VanDerWaalsContact O-NE1 3.16Å; I331-W370 HydrophobicContact CB-CH2 4.29Å; I331-W370 HydrophobicContact CG2-CH2 3.46Å; I331-W370 VanDerWaalsContact CG2-CH2 3.46Å; I331-W370 HydrophobicContact CG2-CZ3 3.95Å; D334-W370 CarbonylContact C-O 3.6Å; D334-W370 VanDerWaalsContact C-O 3.27Å; D334-W370 PolarHBondContact O-N 2.93Å; D334-W370 VanDerWaalsContact O-N 3.11Å; N335-W370 WeakPolarHBondContact CA-O 3.36Å; N335-W370 WeakPolarHBondContact CB-O 3.36Å; N335-W370 PolarHBondContact N-O 3.23Å; N335-W370 VanDerWaalsContact N-O 3.12Å; V368-W370 HydrophobicContact CB-CD2 4.37Å; V368-W370 HydrophobicContact CB-CE3 3.63Å; V368-W370 HydrophobicContact CB-CH2 4.37Å; V368-W370 HydrophobicContact CB-CZ3 3.64Å; V368-W370 HydrophobicContact CG1-CD2 4.4Å; V368-W370 HydrophobicContact CG1-CE3 3.58Å; V368-W370 HydrophobicContact CG1-CZ3 4Å; V368-W370 HydrophobicContact CG2-CE3 4.44Å; V368-W370 HydrophobicContact CG2-CZ3 4.02Å; W370-L375 HydrophobicContact CD2-CD2 3.77Å; W370-L375 HydrophobicContact CE3-CD2 4.42Å; W370-L375 HydrophobicContact CG-CD2 3.88Å; W370-L375 HydrophobicContact CZ2-CD2 4.25Å; W370-P376 HydrophobicContact CB-CG 4.24Å; W370-P376 HydrophobicContact CE3-CG 3.87Å; W370-I377 HydrophobicContact CH2-CD1 3.87Å; W370-I377 HydrophobicContact CZ3-CD1 3.89Å; W370-I377 HydrophobicContact CZ3-CG1 4.27Å
371	D	94.8	Very high	94.5	Very high	77 Å²	77	57.4 Å²	57.4	41%	0.412	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-102.1	127	163.3	-171.1	-21.2	0	0	0	109.4	S373 N374 L375	D371-S373 PolarHBondContact O-N 2.96Å; D371-S373 VanDerWaalsContact O-N 3.14Å; D371-S373 WeakPolarHBondContact OD1-CB 3.47Å; D371-S373 PolarHBondContact OD1-N 2.86Å; D371-S373 PolarHBondContact OD1-OG 3.26Å; D371-S373 VanDerWaalsContact OD1-OG 3.11Å; D371-N374 CarbonylContact O-C 3.27Å; D371-N374 PolarHBondContact O-N 2.98Å; D371-L375 PolarHBondContact O-N 2.85Å
372	L	93.9	Very high	95.6	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.031	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.4	174.8	165.5	58.4	0	0	0	112.9	P310 M311 N374 L375 C408 E411 M412	P310-L372 HydrophobicContact CB-CB 4.19Å; P310-L372 HydrophobicContact CB-CD1 3.52Å; P310-L372 HydrophobicContact CB-CD2 4.42Å; P310-L372 HydrophobicContact CB-CG 4.21Å; P310-L372 HydrophobicContact CG-CD1 3.56Å; P310-L372 HydrophobicContact CG-CD2 4.13Å; P310-L372 HydrophobicContact CG-CG 4.32Å; M311-L372 HydrophobicContact CE-CD2 3.52Å; M311-L372 HydrophobicContact CG-CB 4.25Å; M311-L372 HydrophobicContact CG-CD2 3.73Å; M311-L372 HydrophobicContact SD-CD2 3.6Å; L372-N374 PolarHBondContact O-N 2.98Å; L372-L375 HydrophobicContact CD1-CD1 4Å; L372-L375 HydrophobicContact CD1-CD2 4.5Å; L372-L375 HydrophobicContact CD1-CG 4.33Å; L372-C408 HydrophobicContact CD2-CB 3.77Å; L372-C408 WeakPolarHBondContact CD2-SG 3.46Å; L372-C408 HydrophobicContact CG-CB 4.06Å; L372-E411 WeakPolarHBondContact O-CG 3.35Å; L372-M412 HydrophobicContact CD1-CE 3.85Å; L372-M412 HydrophobicContact CD1-CG 3.94Å; L372-M412 HydrophobicContact CD2-CE 3.68Å; L372-M412 HydrophobicContact CG-CE 4.4Å
373	S	90.8	Very high	96.2	Very high	47 Å²	47	52.2 Å²	52.2	33%	0.329	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-13	177.3	-46.4	0	0	0	0	112.8	D371	D371-S373 PolarHBondContact O-N 2.96Å; D371-S373 VanDerWaalsContact O-N 3.14Å; D371-S373 WeakPolarHBondContact OD1-CB 3.47Å; D371-S373 PolarHBondContact OD1-N 2.86Å; D371-S373 PolarHBondContact OD1-OG 3.26Å; D371-S373 VanDerWaalsContact OD1-OG 3.11Å
374	N	93.2	Very high	96.5	Very high	124 Å²	124	51.7 Å²	51.7	66%	0.663	28%	0.277	S	S	*	.	B	Isolated β-bridge	trans	-153	77.6	178.4	-175.7	36.6	0	0	0	110.3	D371 L372	D371-N374 CarbonylContact O-C 3.27Å; D371-N374 PolarHBondContact O-N 2.98Å; L372-N374 PolarHBondContact O-N 2.98Å
375	L	96.6	Very high	96.6	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	27%	0.268	C	S	.	.			trans	-74.3	133	-175.4	-70.1	170.8	0	0	0	111	L308 P310 W370 D371 L372 I377 E411 R414 V415	L308-L375 HydrophobicContact CD2-CD1 3.88Å; P310-L375 HydrophobicContact CB-CD1 4.48Å; P310-L375 HydrophobicContact CB-CD2 4.06Å; W370-L375 HydrophobicContact CD2-CD2 3.77Å; W370-L375 HydrophobicContact CE3-CD2 4.42Å; W370-L375 HydrophobicContact CG-CD2 3.88Å; W370-L375 HydrophobicContact CZ2-CD2 4.25Å; D371-L375 PolarHBondContact O-N 2.85Å; L372-L375 HydrophobicContact CD1-CD1 4Å; L372-L375 HydrophobicContact CD1-CD2 4.5Å; L372-L375 HydrophobicContact CD1-CG 4.33Å; L375-I377 HydrophobicContact CB-CB 4.32Å; L375-I377 HydrophobicContact CB-CD1 4.44Å; L375-I377 HydrophobicContact CB-CG1 4.34Å; L375-I377 PolarHBondContact O-N 2.85Å; L375-E411 HydrophobicContact CB-CG 4.36Å; L375-E411 WeakPolarHBondContact CB-OE1 3.49Å; L375-E411 HydrophobicContact CD1-CG 4.18Å; L375-E411 HydrophobicContact CG-CG 4.09Å; L375-E411 PolarHBondContact N-OE1 3.1Å; L375-R414 PolarHBondContact O-NH2 2.93Å; L375-V415 HydrophobicContact CB-CG1 4.21Å; L375-V415 HydrophobicContact CD1-CG1 4.02Å; L375-V415 HydrophobicContact CD1-CG2 3.95Å
376	P	96.2	Very high	96.6	Very high	99 Å²	99	49.8 Å²	49.8	64%	0.643	27%	0.265	S	S	*	.	S	Bend	trans	-76.7	42.7	173.6	34.4	-36.7	0	0	0	112	W370	W370-P376 HydrophobicContact CB-CG 4.24Å; W370-P376 HydrophobicContact CE3-CG 3.87Å
377	I	96.3	Very high	96.7	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.118	24%	0.242	C	C	.	.	S	Bend	trans	-118.7	140.4	-175.4	-62.1	177	0	0	0	109.2	L308 W370 L375 S381 V382 R414 V415	L308-I377 HydrophobicContact CD1-CD1 3.59Å; L308-I377 HydrophobicContact CD2-CD1 3.72Å; L308-I377 HydrophobicContact CG-CD1 4.32Å; W370-I377 HydrophobicContact CH2-CD1 3.87Å; W370-I377 HydrophobicContact CZ3-CD1 3.89Å; W370-I377 HydrophobicContact CZ3-CG1 4.27Å; L375-I377 HydrophobicContact CB-CB 4.32Å; L375-I377 HydrophobicContact CB-CD1 4.44Å; L375-I377 HydrophobicContact CB-CG1 4.34Å; L375-I377 PolarHBondContact O-N 2.85Å; I377-S381 VanDerWaalsContact CG2-OG 3.29Å; I377-S381 WeakPolarHBondContact CG2-OG 3.49Å; I377-V382 HydrophobicContact CG2-CG2 3.96Å; I377-R414 PolarHBondContact O-NH1 2.91Å; I377-R414 PolarHBondContact O-NH2 3.33Å; I377-V415 HydrophobicContact CB-CB 4.45Å; I377-V415 HydrophobicContact CB-CG1 3.89Å; I377-V415 HydrophobicContact CG2-CB 4.03Å; I377-V415 HydrophobicContact CG2-CG1 3.99Å
378	R	96.9	Very high	96.6	Very high	203 Å²	203	45.2 Å²	45.2	77%	0.766	24%	0.239	S	C	*	.			trans	-62.2	140.8	178.3	-170.9	-176.7	-65	121	0.1	110.6	S380 S381	R378-S380 PolarHBondContact O-N 3.05Å; R378-S381 WeakPolarHBondContact O-CB 3.43Å; R378-S381 PolarHBondContact O-OG 3.1Å
379	T	96.8	Very high	96.5	Very high	64 Å²	64	42.7 Å²	42.7	39%	0.393	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	137.3	171.3	-59.2	0	0	0	0	110.9	S381 R414	T379-S381 VanDerWaalsContact C-N 3.34Å; T379-S381 PolarHBondContact O-N 3.12Å; T379-R414 CarbonylContact C-O 3.38Å; T379-R414 VanDerWaalsContact CA-O 3.3Å; T379-R414 WeakPolarHBondContact CA-O 3.28Å; T379-R414 HydrophobicContact CG2-CG 4.11Å; T379-R414 VanDerWaalsContact CG2-O 3.28Å; T379-R414 WeakPolarHBondContact CG2-O 3.28Å; T379-R414 WeakPolarHBondContact OG1-CG 3.31Å; T379-R414 PolarHBondContact OG1-NH1 3.43Å
380	S	97.3	Very high	96.1	Very high	38 Å²	38	38.6 Å²	38.6	27%	0.266	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	39.1	175.7	-53.8	0	0	0	0	115.1	R378 R414 V415 P418	R378-S380 PolarHBondContact O-N 3.05Å; S380-R414 PolarHBondContact N-O 3.18Å; S380-V415 CarbonylContact C-O 3.51Å; S380-V415 WeakPolarHBondContact CA-O 3.46Å; S380-V415 PolarHBondContact N-O 3.2Å; S380-P418 VanDerWaalsContact OG-CD 3.23Å; S380-P418 WeakPolarHBondContact OG-CD 3.21Å
381	S	97.8	Very high	95.6	Very high	24 Å²	24	38.7 Å²	38.7	17%	0.168	21%	0.208	C	C	.	.			trans	-112.5	-8.6	-179.9	63.4	0	0	0	0	114.8	I306 I377 R378 T379 V415	I306-S381 WeakPolarHBondContact CD1-O 3.44Å; I377-S381 VanDerWaalsContact CG2-OG 3.29Å; I377-S381 WeakPolarHBondContact CG2-OG 3.49Å; R378-S381 WeakPolarHBondContact O-CB 3.43Å; R378-S381 PolarHBondContact O-OG 3.1Å; T379-S381 VanDerWaalsContact C-N 3.34Å; T379-S381 PolarHBondContact O-N 3.12Å; S381-V415 PolarHBondContact N-O 2.95Å
382	V	98.4	Very high	94.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-109	134.5	-177.4	175.3	0	0	0	0	110.5	I306 L308 I377 I384 I385 V415 C416 R417	I306-V382 HydrophobicContact CG2-CG2 4.23Å; I306-V382 WeakPolarHBondContact O-CG1 3.34Å; L308-V382 HydrophobicContact CB-CG1 3.67Å; L308-V382 HydrophobicContact CB-CG2 4.32Å; L308-V382 HydrophobicContact CD2-CG1 4.49Å; L308-V382 HydrophobicContact CD2-CG2 4.22Å; I377-V382 HydrophobicContact CG2-CG2 3.96Å; V382-I384 WeakPolarHBondContact CG1-O 3.29Å; V382-I385 HydrophobicContact CG1-CG1 3.83Å; V382-V415 HydrophobicContact CG2-CB 4.32Å; V382-V415 HydrophobicContact CG2-CG2 4.36Å; V382-V415 PolarHBondContact N-O 2.82Å; V382-C416 CarbonylContact O-C 3.16Å; V382-C416 VanDerWaalsContact O-CA 3.29Å; V382-C416 WeakPolarHBondContact O-CA 3.44Å; V382-R417 PolarHBondContact O-N 3.45Å
383	D	98.7	Very high	93.4	Very high	22 Å²	22	40.5 Å²	40.5	12%	0.118	22%	0.216	C	C	.	.	S	Bend	trans	-88.7	-43.5	-179	-58.1	-66.9	0	0	0	111.4	D305 I306 R417 G421 K422	D305-D383 HydrophobicContact CB-CB 4.16Å; I306-D383 PolarHBondContact N-OD2 2.97Å; I306-D383 PolarHBondContact O-N 3.43Å; D383-R417 WeakPolarHBondContact OD1-CD 3.44Å; D383-R417 IonicContact OD1-CZ 2.64Å; D383-R417 IonicContact OD1-NE 3.1Å; D383-R417 PolarHBondContact OD1-NE 3.06Å; D383-G421 CarbonylContact O-C 3.57Å; D383-G421 VanDerWaalsContact O-CA 3.22Å; D383-G421 WeakPolarHBondContact O-CA 3.27Å; D383-K422 PolarHBondContact O-N 2.86Å
384	I	98.8	Very high	92.6	Very high	4 Å²	4	47 Å²	47	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132	-177.4	-62.8	165.2	0	0	0	110.1	C299 P301 D305 I306 I307 L308 V382 K422	C299-I384 HydrophobicContact CB-CD1 3.87Å; C299-I384 HydrophobicContact CB-CG1 4.34Å; C299-I384 HydrophobicContact CB-CG2 3.77Å; C299-I384 VanDerWaalsContact SG-CG2 3.51Å; P301-I384 HydrophobicContact CB-CD1 4.42Å; P301-I384 HydrophobicContact CG-CD1 4.42Å; D305-I384 HydrophobicContact CB-CD1 4.41Å; D305-I384 WeakPolarHBondContact OD2-CD1 3.23Å; I306-I384 PolarHBondContact O-N 3.37Å; I306-I384 VanDerWaalsContact O-N 3.15Å; I307-I384 CarbonylContact C-O 3.54Å; I307-I384 WeakPolarHBondContact CA-O 3.39Å; I307-I384 HydrophobicContact CD1-CD1 4.28Å; I307-I384 HydrophobicContact CG1-CB 4.19Å; I307-I384 HydrophobicContact CG1-CD1 4.37Å; I307-I384 HydrophobicContact CG2-CB 4.33Å; I307-I384 HydrophobicContact CG2-CG2 4.19Å; L308-I384 PolarHBondContact N-O 3.48Å; V382-I384 WeakPolarHBondContact CG1-O 3.29Å; I384-K422 CarbonylContact C-O 3.55Å; I384-K422 WeakPolarHBondContact CA-O 3.34Å
385	I	98.8	Very high	91.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.2	168	-60.2	174.6	0	0	0	108.4	L308 P310 V382 M412 V415 C416 K422 A423 V424	L308-I385 HydrophobicContact CB-CG1 4.38Å; L308-I385 HydrophobicContact CD2-CG1 4.44Å; L308-I385 CarbonylContact O-C 3.57Å; L308-I385 WeakPolarHBondContact O-CA 3.19Å; P310-I385 HydrophobicContact CG-CG2 4.27Å; V382-I385 HydrophobicContact CG1-CG1 3.83Å; I385-M412 HydrophobicContact CD1-CB 3.55Å; I385-M412 HydrophobicContact CD1-CG 3.85Å; I385-M412 WeakPolarHBondContact CD1-O 3.32Å; I385-M412 HydrophobicContact CG2-CE 3.97Å; I385-M412 HydrophobicContact CG2-CG 4.12Å; I385-M412 HydrophobicContact CG2-SD 4.02Å; I385-V415 HydrophobicContact CD1-CG2 3.9Å; I385-C416 HydrophobicContact CD1-CB 3.86Å; I385-K422 PolarHBondContact N-O 3.34Å; I385-A423 HydrophobicContact CB-CB 4.15Å; I385-A423 CarbonylContact O-C 3.54Å; I385-A423 WeakPolarHBondContact O-CA 3.24Å; I385-V424 PolarHBondContact O-N 3.21Å
386	I	98.6	Very high	90.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	123.6	179.6	-176.3	174.1	0	0	0	109.7	M295 L296 I307 L308 D309 I317 V424	M295-I386 HydrophobicContact CB-CD1 3.6Å; M295-I386 HydrophobicContact CB-CG1 4.34Å; M295-I386 HydrophobicContact CE-CD1 4.41Å; M295-I386 HydrophobicContact CE-CG1 3.97Å; L296-I386 HydrophobicContact CB-CD1 4.46Å; L296-I386 HydrophobicContact CD2-CD1 3.86Å; L296-I386 HydrophobicContact CD2-CG2 4.4Å; L296-I386 HydrophobicContact CG-CD1 3.85Å; I307-I386 HydrophobicContact CG2-CG2 3.7Å; L308-I386 PolarHBondContact O-N 3.5Å; D309-I386 VanDerWaalsContact CA-O 3.27Å; D309-I386 WeakPolarHBondContact CA-O 3.42Å; D309-I386 VanDerWaalsContact CB-O 3.25Å; D309-I386 WeakPolarHBondContact CB-O 3.23Å; I317-I386 HydrophobicContact CD1-CG1 4.45Å; I317-I386 HydrophobicContact CG2-CB 4.32Å; I317-I386 HydrophobicContact CG2-CD1 3.6Å; I317-I386 HydrophobicContact CG2-CG1 3.79Å; I317-I386 HydrophobicContact CG2-CG2 3.68Å; I386-V424 VanDerWaalsContact CA-O 3.3Å; I386-V424 WeakPolarHBondContact CA-O 3.42Å; I386-V424 HydrophobicContact CG1-CB 4.17Å; I386-V424 HydrophobicContact CG1-CG1 4.3Å
387	T	97.8	Very high	89.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	154.6	-176	-162.3	0	0	0	0	114.3	D309 P310 M311 M389 M412 V424 L425 L426	D309-T387 WeakPolarHBondContact OD1-CB 3.26Å; D309-T387 PolarHBondContact OD1-OG1 2.92Å; P310-T387 HydrophobicContact CG-CG2 4.49Å; M311-T387 HydrophobicContact CE-CG2 3.9Å; T387-M389 HydrophobicContact CG2-CG 4.18Å; T387-M389 HydrophobicContact CG2-SD 3.54Å; T387-M389 VanDerWaalsContact CG2-SD 3.54Å; T387-M412 HydrophobicContact CG2-CE 3.72Å; T387-V424 PolarHBondContact N-O 2.67Å; T387-V424 VanDerWaalsContact N-O 3.08Å; T387-L425 HydrophobicContact CG2-CD2 3.63Å; T387-L426 PolarHBondContact O-N 2.85Å
388	D	95.8	Very high	89	Confident	31 Å²	31	49.2 Å²	49.2	17%	0.166	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	95.5	170.4	-170.3	22.6	0	0	0	109.9	L287 F391 L426	L287-D388 HydrophobicContact CD1-CB 3.75Å; L287-D388 WeakPolarHBondContact CD2-OD2 2.96Å; L287-D388 HydrophobicContact CG-CB 4.28Å; D388-F391 WeakPolarHBondContact OD1-CE1 3.33Å; D388-F391 WeakPolarHBondContact OD1-CZ 3.47Å; D388-L426 HydrophobicContact CB-CD2 4.49Å; D388-L426 VanDerWaalsContact OD1-CD2 3.26Å; D388-L426 WeakPolarHBondContact OD1-CD2 3.33Å; D388-L426 WeakPolarHBondContact OD1-CG 3.33Å
389	M	94.1	Very high	88.3	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.245	C	C	.	.			trans	-67.6	147.3	-177.2	-54.1	-76.9	-57.2	0	0	110.3	M311 T387 F391 Y405 C408 M412 L425 L426	M311-M389 HydrophobicContact CE-CB 4.16Å; M311-M389 HydrophobicContact CE-CE 3.73Å; M311-M389 HydrophobicContact CE-CG 4.15Å; M311-M389 HydrophobicContact CE-SD 3.21Å; M311-M389 WeakPolarHBondContact CE-SD 3.32Å; T387-M389 HydrophobicContact CG2-CG 4.18Å; T387-M389 HydrophobicContact CG2-SD 3.54Å; T387-M389 VanDerWaalsContact CG2-SD 3.54Å; M389-F391 WeakPolarHBondContact O-CD1 3.29Å; M389-F391 VanDerWaalsContact O-CE1 3.28Å; M389-F391 WeakPolarHBondContact O-CE1 3.49Å; M389-F391 PolarHBondContact O-N 3.29Å; M389-Y405 HydrophobicContact CB-CE1 4.25Å; M389-Y405 HydrophobicContact CE-CD1 3.82Å; M389-Y405 HydrophobicContact CE-CE1 4.03Å; M389-C408 HydrophobicContact CE-CB 4Å; M389-M412 HydrophobicContact SD-CE 3.87Å; M389-L425 HydrophobicContact CG-CB 4.19Å; M389-L425 HydrophobicContact SD-CD2 4.21Å; M389-L426 WeakPolarHBondContact CB-O 3.33Å; M389-L426 PolarHBondContact N-O 2.89Å
390	P	89.1	Confident	87.9	Confident	23 Å²	23	51.8 Å²	51.8	15%	0.149	26%	0.257	C	S	.	.			trans	-62.1	124.6	179.7	24.1	-33.8	0	0	0	111.8	M311 G392 M395 N401 L404 Y405	M311-P390 HydrophobicContact SD-CG 4.44Å; P390-G392 PolarHBondContact O-N 3.34Å; P390-M395 HydrophobicContact CB-CB 4.32Å; P390-N401 PolarHBondContact O-ND2 3.4Å; P390-N401 VanDerWaalsContact O-ND2 3.16Å; P390-L404 HydrophobicContact CG-CD2 3.58Å; P390-Y405 HydrophobicContact CG-CE1 4.49Å; P390-Y405 PolarHBondContact O-OH 3.04Å
391	F	86.2	Confident	87.5	Confident	22 Å²	22	50 Å²	50	10%	0.096	24%	0.244	C	C	.	.			trans	-76.3	-8.1	-177.9	-61.9	-4.7	0	0	0	113.9	D388 M389 K393 L426 T427 Q428 L457 A459	D388-F391 WeakPolarHBondContact OD1-CE1 3.33Å; D388-F391 WeakPolarHBondContact OD1-CZ 3.47Å; M389-F391 WeakPolarHBondContact O-CD1 3.29Å; M389-F391 VanDerWaalsContact O-CE1 3.28Å; M389-F391 WeakPolarHBondContact O-CE1 3.49Å; M389-F391 PolarHBondContact O-N 3.29Å; F391-K393 VanDerWaalsContact C-N 3.3Å; F391-K393 PolarHBondContact O-N 2.67Å; F391-L426 HydrophobicContact CE1-CG 4.12Å; F391-L426 HydrophobicContact CZ-CD1 4.35Å; F391-L426 HydrophobicContact CZ-CD2 4.29Å; F391-L426 HydrophobicContact CZ-CG 3.94Å; F391-T427 VanDerWaalsContact CE1-CA 3.44Å; F391-Q428 HydrophobicContact CB-CB 4.02Å; F391-Q428 HydrophobicContact CD1-CB 4.18Å; F391-Q428 VanDerWaalsContact CD1-N 3.33Å; F391-Q428 HydrophobicContact CD2-CB 3.67Å; F391-Q428 HydrophobicContact CE2-CB 4.18Å; F391-Q428 HydrophobicContact CG-CB 3.68Å; F391-L457 HydrophobicContact CD2-CD1 3.81Å; F391-L457 HydrophobicContact CE2-CD1 4.18Å; F391-A459 HydrophobicContact CE2-CB 4.47Å; F391-A459 HydrophobicContact CZ-CB 4.33Å
392	G	71.9	Confident	87.1	Confident	13 Å²	13	53.7 Å²	53.7	13%	0.134	26%	0.255	C	S	.	.	S	Bend	trans	71.2	24.3	-176	0	0	0	0	0	114.2	P390 M395	P390-G392 PolarHBondContact O-N 3.34Å; G392-M395 VanDerWaalsContact CA-O 3.28Å; G392-M395 WeakPolarHBondContact CA-O 3.31Å; G392-M395 PolarHBondContact N-O 2.94Å; G392-M395 VanDerWaalsContact N-O 3.07Å
393	K	71.1	Confident	86.6	Confident	108 Å²	108	59.4 Å²	59.4	47%	0.47	29%	0.285	S	S	.	.	S	Bend	trans	-116.2	-66.3	177	-77.9	-171.1	171.2	-173.6	0	112.4	F391 L457	F391-K393 VanDerWaalsContact C-N 3.3Å; F391-K393 PolarHBondContact O-N 2.67Å; K393-L457 HydrophobicContact CD-CD1 4.35Å; K393-L457 HydrophobicContact CD-CD2 4.17Å; K393-L457 VanDerWaalsContact NZ-CD2 3.26Å
394	R	74.6	Confident	86.2	Confident	183 Å²	183	60.6 Å²	60.6	69%	0.691	29%	0.292	S	S	*	.	S	Bend	trans	-90.6	-34.6	176.4	-65.3	-175.4	-175.2	179.5	3	112.1	P284 T285	P284-R394 PolarHBondContact O-NH1 3.45Å; T285-R394 HydrophobicContact CG2-CB 4.06Å
395	M	71.1	Confident	86.1	Confident	82 Å²	82	60.5 Å²	60.5	40%	0.404	29%	0.291	S	S	.	.	S	Bend	trans	-124.4	136.6	177	-64.7	-58.4	-66.6	0	0	109.5	P284 T285 P390 G392	P284-M395 HydrophobicContact CG-SD 4.35Å; T285-M395 HydrophobicContact CG2-CG 3.8Å; P390-M395 HydrophobicContact CB-CB 4.32Å; G392-M395 VanDerWaalsContact CA-O 3.28Å; G392-M395 WeakPolarHBondContact CA-O 3.31Å; G392-M395 PolarHBondContact N-O 2.94Å; G392-M395 VanDerWaalsContact N-O 3.07Å
396	G	76.4	Confident	85.8	Confident	56 Å²	56	61.4 Å²	61.4	58%	0.577	30%	0.297	S	S	*	.	S	Bend	trans	63.9	-162	-176.7	0	0	0	0	0	113.4
397	S	79.8	Confident	85.5	Confident	41 Å²	41	63.1 Å²	63.1	29%	0.287	31%	0.309	S	S	.	.			trans	-141.4	150.9	171.5	77.8	0	0	0	0	110.5	K399 K400 N401	S397-K399 PolarHBondContact O-N 3.44Å; S397-K400 PolarHBondContact O-N 2.89Å; S397-K400 WeakPolarHBondContact OG-CG 3.42Å; S397-K400 PolarHBondContact OG-N 3.23Å; S397-N401 PolarHBondContact O-N 2.85Å; S397-N401 PolarHBondContact O-OD1 2.81Å
398	R	78.4	Confident	85.4	Confident	118 Å²	118	63.1 Å²	63.1	45%	0.445	31%	0.309	S	S	.	.	H	α-helix	trans	-58.4	-29.4	176.4	-68.5	-175.9	176.5	162.3	-6.5	113	N401	R398-N401 PolarHBondContact O-N 2.58Å
399	K	82.9	Confident	85.4	Confident	174 Å²	174	61.7 Å²	61.7	76%	0.757	30%	0.301	S	S	*	.	H	α-helix	trans	-64.5	-50.5	174.2	-172.8	178.4	177.9	-177.6	0	110.5	S397 N401 W402	S397-K399 PolarHBondContact O-N 3.44Å; K399-N401 VanDerWaalsContact C-N 3.25Å; K399-N401 PolarHBondContact O-N 3.49Å; K399-W402 PolarHBondContact O-N 2.93Å
400	K	87.4	Confident	85.5	Confident	146 Å²	146	63.1 Å²	63.1	64%	0.635	31%	0.306	S	S	*	.	H	α-helix	trans	-64.5	-29.1	178	-70.4	-177.9	177.5	-172.2	0	112.6	S397 W402 D403 L404	S397-K400 PolarHBondContact O-N 2.89Å; S397-K400 WeakPolarHBondContact OG-CG 3.42Å; S397-K400 PolarHBondContact OG-N 3.23Å; K400-W402 PolarHBondContact O-N 3.13Å; K400-D403 PolarHBondContact O-N 3.32Å; K400-L404 WeakPolarHBondContact O-CB 3.05Å; K400-L404 PolarHBondContact O-N 3.24Å
401	N	89.9	Confident	85.9	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-60.2	-29.1	177.7	-72.1	-7.9	0	0	0	113.3	P390 S397 R398 K399 D403 L404 Y405 D429 C432	P390-N401 PolarHBondContact O-ND2 3.4Å; P390-N401 VanDerWaalsContact O-ND2 3.16Å; S397-N401 PolarHBondContact O-N 2.85Å; S397-N401 PolarHBondContact O-OD1 2.81Å; R398-N401 PolarHBondContact O-N 2.58Å; K399-N401 VanDerWaalsContact C-N 3.25Å; K399-N401 PolarHBondContact O-N 3.49Å; N401-D403 PolarHBondContact O-N 3.26Å; N401-L404 PolarHBondContact O-N 2.96Å; N401-Y405 HydrophobicContact CB-CD1 4.18Å; N401-Y405 HydrophobicContact CB-CE1 3.95Å; N401-Y405 HydrophobicContact CB-CE2 4.38Å; N401-Y405 HydrophobicContact CB-CG 4.48Å; N401-Y405 PolarHBondContact ND2-OH 3.32Å; N401-Y405 WeakPolarHBondContact O-CB 3.48Å; N401-Y405 PolarHBondContact O-N 2.83Å; N401-D429 PolarHBondContact ND2-OD2 3.36Å; N401-D429 VanDerWaalsContact ND2-OD2 3.1Å; N401-C432 HydrophobicContact CB-CB 4.45Å; N401-C432 PolarHBondContact O-SG 2.97Å
402	W	89	Confident	86.4	Confident	101 Å²	101	61.7 Å²	61.7	38%	0.383	30%	0.298	S	S	.	.	H	α-helix	trans	-62.5	-30.1	179.3	-75.3	105.4	0	0	0	113.5	K399 K400 P406 C432 K435	K399-W402 PolarHBondContact O-N 2.93Å; K400-W402 PolarHBondContact O-N 3.13Å; W402-P406 VanDerWaalsContact O-CD 3.27Å; W402-P406 WeakPolarHBondContact O-CD 3.38Å; W402-P406 WeakPolarHBondContact O-CG 3.31Å; W402-C432 VanDerWaalsContact CA-SG 3.57Å; W402-C432 HydrophobicContact CD2-CB 4.43Å; W402-C432 HydrophobicContact CE3-CB 4.4Å; W402-C432 HydrophobicContact CZ3-CB 4.45Å; W402-K435 HydrophobicContact CE3-CD 3.91Å; W402-K435 HydrophobicContact CH2-CB 4.46Å; W402-K435 HydrophobicContact CH2-CD 3.99Å; W402-K435 HydrophobicContact CZ3-CB 3.69Å; W402-K435 HydrophobicContact CZ3-CD 3.19Å; W402-K435 HydrophobicContact CZ3-CG 4.04Å
403	D	89.1	Confident	87.6	Confident	120 Å²	120	61.1 Å²	61.1	64%	0.642	29%	0.292	S	S	*	.	H	α-helix	trans	-94.3	-43.1	176.8	-53.8	-40.2	0	0	0	110.1	K400 N401 P406 S407	K400-D403 PolarHBondContact O-N 3.32Å; N401-D403 PolarHBondContact O-N 3.26Å; D403-P406 WeakPolarHBondContact O-CD 3.48Å; D403-S407 PolarHBondContact O-N 3.29Å; D403-S407 PolarHBondContact O-OG 2.83Å
404	L	90.5	Very high	88.9	Confident	48 Å²	48	57.7 Å²	57.7	25%	0.251	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-49.5	-177.8	-176.5	68.7	0	0	0	112.8	P390 K400 N401 S407 C408	P390-L404 HydrophobicContact CG-CD2 3.58Å; K400-L404 WeakPolarHBondContact O-CB 3.05Å; K400-L404 PolarHBondContact O-N 3.24Å; N401-L404 PolarHBondContact O-N 2.96Å; L404-S407 PolarHBondContact O-N 3.47Å; L404-C408 WeakPolarHBondContact CD1-SG 3.34Å; L404-C408 VanDerWaalsContact O-CB 3.31Å; L404-C408 WeakPolarHBondContact O-CB 3.07Å; L404-C408 PolarHBondContact O-N 2.86Å; L404-C408 PolarHBondContact O-SG 2.85Å
405	Y	94.9	Very high	90	Very high	1 Å²	1	49 Å²	49	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-45.7	-171.9	-73.9	8.1	0	0	0	113.1	M389 P390 N401 L409 T427 D429 C432 F433	M389-Y405 HydrophobicContact CB-CE1 4.25Å; M389-Y405 HydrophobicContact CE-CD1 3.82Å; M389-Y405 HydrophobicContact CE-CE1 4.03Å; P390-Y405 HydrophobicContact CG-CE1 4.49Å; P390-Y405 PolarHBondContact O-OH 3.04Å; N401-Y405 HydrophobicContact CB-CD1 4.18Å; N401-Y405 HydrophobicContact CB-CE1 3.95Å; N401-Y405 HydrophobicContact CB-CE2 4.38Å; N401-Y405 HydrophobicContact CB-CG 4.48Å; N401-Y405 PolarHBondContact ND2-OH 3.32Å; N401-Y405 WeakPolarHBondContact O-CB 3.48Å; N401-Y405 PolarHBondContact O-N 2.83Å; Y405-L409 WeakPolarHBondContact O-CB 3.5Å; Y405-L409 VanDerWaalsContact O-CG 3.24Å; Y405-L409 WeakPolarHBondContact O-CG 3.25Å; Y405-L409 PolarHBondContact O-N 3.29Å; Y405-T427 HydrophobicContact CE2-CG2 4.38Å; Y405-T427 PolarHBondContact OH-OG1 3.25Å; Y405-D429 HydrophobicContact CE2-CB 4.04Å; Y405-C432 HydrophobicContact CD2-CB 4.06Å; Y405-C432 VanDerWaalsContact CD2-SG 3.59Å; Y405-C432 HydrophobicContact CE2-CB 4.18Å; Y405-F433 HydrophobicContact CD2-CB 4.09Å; Y405-F433 AromaticContact CD2-CD2 4Å; Y405-F433 HydrophobicContact CD2-CD2 4Å; Y405-F433 HydrophobicContact CE2-CB 4.06Å; Y405-F433 HydrophobicContact CE2-CD2 4.19Å
406	P	93.3	Very high	91.3	Very high	19 Å²	19	45 Å²	45	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-57.6	-49.1	172.2	-26	35.1	0	0	0	113.3	W402 D403 C408 L409 R410 A436	W402-P406 VanDerWaalsContact O-CD 3.27Å; W402-P406 WeakPolarHBondContact O-CD 3.38Å; W402-P406 WeakPolarHBondContact O-CG 3.31Å; D403-P406 WeakPolarHBondContact O-CD 3.48Å; P406-C408 PolarHBondContact O-N 3.41Å; P406-L409 PolarHBondContact O-N 3.1Å; P406-R410 VanDerWaalsContact O-CB 3.29Å; P406-R410 WeakPolarHBondContact O-CB 3.27Å; P406-R410 PolarHBondContact O-N 3.42Å; P406-A436 HydrophobicContact CG-CB 4.06Å
407	S	92.9	Very high	92.3	Very high	38 Å²	38	47.5 Å²	47.5	27%	0.266	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-43.5	-179.9	-58.5	0	0	0	0	111.9	D403 L404 R410 E411	D403-S407 PolarHBondContact O-N 3.29Å; D403-S407 PolarHBondContact O-OG 2.83Å; L404-S407 PolarHBondContact O-N 3.47Å; S407-R410 WeakPolarHBondContact O-CB 3.38Å; S407-R410 PolarHBondContact O-N 2.94Å; S407-E411 WeakPolarHBondContact O-CB 3.19Å; S407-E411 PolarHBondContact O-N 3.32Å
408	C	94.8	Very high	93.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-48.2	175.2	-68.7	0	0	0	0	112.2	L372 M389 L404 P406 R410 E411 M412	L372-C408 HydrophobicContact CD2-CB 3.77Å; L372-C408 WeakPolarHBondContact CD2-SG 3.46Å; L372-C408 HydrophobicContact CG-CB 4.06Å; M389-C408 HydrophobicContact CE-CB 4Å; L404-C408 WeakPolarHBondContact CD1-SG 3.34Å; L404-C408 VanDerWaalsContact O-CB 3.31Å; L404-C408 WeakPolarHBondContact O-CB 3.07Å; L404-C408 PolarHBondContact O-N 2.86Å; L404-C408 PolarHBondContact O-SG 2.85Å; P406-C408 PolarHBondContact O-N 3.41Å; C408-R410 VanDerWaalsContact C-N 3.26Å; C408-R410 PolarHBondContact O-N 3.33Å; C408-E411 PolarHBondContact O-N 3.14Å; C408-M412 VanDerWaalsContact O-CB 3.28Å; C408-M412 WeakPolarHBondContact O-CB 3.49Å; C408-M412 WeakPolarHBondContact O-CG 3.39Å; C408-M412 PolarHBondContact O-N 3.07Å
409	L	96.3	Very high	94	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-37.4	-180	-75.8	171.5	0	0	0	111.8	Y405 P406 A413 L425 F433 A436 I437 M440 W444 L464	Y405-L409 WeakPolarHBondContact O-CB 3.5Å; Y405-L409 VanDerWaalsContact O-CG 3.24Å; Y405-L409 WeakPolarHBondContact O-CG 3.25Å; Y405-L409 PolarHBondContact O-N 3.29Å; P406-L409 PolarHBondContact O-N 3.1Å; L409-A413 WeakPolarHBondContact O-CB 3.29Å; L409-A413 PolarHBondContact O-N 3.28Å; L409-L425 HydrophobicContact CD2-CD1 3.53Å; L409-F433 HydrophobicContact CD2-CE2 4.46Å; L409-A436 HydrophobicContact CD1-CB 3.73Å; L409-I437 HydrophobicContact CD1-CD1 3.69Å; L409-I437 HydrophobicContact CD1-CG1 4.2Å; L409-I437 HydrophobicContact CD2-CD1 3.93Å; L409-I437 HydrophobicContact CG-CD1 4.49Å; L409-M440 HydrophobicContact CB-CG 3.92Å; L409-M440 HydrophobicContact CD1-CG 4.22Å; L409-W444 PolarHBondContact O-NE1 3.09Å; L409-L464 HydrophobicContact CD2-CD1 3.97Å
410	R	95.6	Very high	94.6	Very high	31 Å²	31	38.6 Å²	38.6	12%	0.117	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-50.3	174.6	174.7	172.4	-177.3	55.1	22	111.3	P406 S407 C408 A413 R414 M440 F471 E476 D477 E480	P406-R410 VanDerWaalsContact O-CB 3.29Å; P406-R410 WeakPolarHBondContact O-CB 3.27Å; P406-R410 PolarHBondContact O-N 3.42Å; S407-R410 WeakPolarHBondContact O-CB 3.38Å; S407-R410 PolarHBondContact O-N 2.94Å; C408-R410 VanDerWaalsContact C-N 3.26Å; C408-R410 PolarHBondContact O-N 3.33Å; R410-A413 WeakPolarHBondContact O-CA 3.35Å; R410-A413 VanDerWaalsContact O-CB 3.31Å; R410-A413 WeakPolarHBondContact O-CB 3.47Å; R410-A413 PolarHBondContact O-N 3.35Å; R410-R414 PolarHBondContact O-N 2.96Å; R410-M440 HydrophobicContact CB-SD 4.11Å; R410-F471 HydrophobicContact CG-CE2 4.02Å; R410-F471 HydrophobicContact CG-CZ 4.29Å; R410-F471 WeakPolarHBondContact O-CE2 3.39Å; R410-E476 PolarHBondContact NH1-O 3.48Å; R410-E476 VanDerWaalsContact NH1-O 3.1Å; R410-D477 IonicContact CZ-OD1 3.79Å; R410-D477 IonicContact NH1-OD1 3.84Å; R410-D477 PolarHBondContact NH1-OD1 2.97Å; R410-D477 IonicContact NH2-OD1 2.79Å; R410-D477 PolarHBondContact NH2-OD1 3.15Å; R410-E480 VanDerWaalsContact CD-OE2 3.25Å; R410-E480 WeakPolarHBondContact CD-OE2 3.42Å; R410-E480 IonicContact CZ-OE2 2.69Å; R410-E480 IonicContact NE-OE2 2.77Å; R410-E480 PolarHBondContact NE-OE2 3.22Å
411	E	97.2	Very high	95.1	Very high	16 Å²	16	31.7 Å²	31.7	8%	0.075	17%	0.168	C	C	.	.	H	α-helix	trans	-68.1	-38.1	-179.1	-177.6	59.3	-179.4	0	0	112.5	L372 L375 S407 C408 A413 R414 V415	L372-E411 WeakPolarHBondContact O-CG 3.35Å; L375-E411 HydrophobicContact CB-CG 4.36Å; L375-E411 WeakPolarHBondContact CB-OE1 3.49Å; L375-E411 HydrophobicContact CD1-CG 4.18Å; L375-E411 HydrophobicContact CG-CG 4.09Å; L375-E411 PolarHBondContact N-OE1 3.1Å; S407-E411 WeakPolarHBondContact O-CB 3.19Å; S407-E411 PolarHBondContact O-N 3.32Å; C408-E411 PolarHBondContact O-N 3.14Å; E411-A413 VanDerWaalsContact C-N 3.27Å; E411-A413 PolarHBondContact O-N 3.49Å; E411-R414 VanDerWaalsContact CD-NE 3.28Å; E411-R414 VanDerWaalsContact O-CB 3.29Å; E411-R414 WeakPolarHBondContact O-CB 3.14Å; E411-R414 PolarHBondContact O-N 3.17Å; E411-R414 VanDerWaalsContact O-N 3.12Å; E411-R414 IonicContact OE1-CZ 3.22Å; E411-R414 VanDerWaalsContact OE1-CZ 3.27Å; E411-R414 IonicContact OE1-NE 3.63Å; E411-R414 PolarHBondContact OE1-NE 3.42Å; E411-R414 VanDerWaalsContact OE1-NE 3.11Å; E411-R414 IonicContact OE1-NH2 2.62Å; E411-R414 PolarHBondContact OE1-NH2 3.16Å; E411-R414 WeakPolarHBondContact OE2-CD 3.47Å; E411-R414 IonicContact OE2-CZ 2.66Å; E411-R414 IonicContact OE2-NE 3.04Å; E411-R414 PolarHBondContact OE2-NE 3.15Å; E411-R414 IonicContact OE2-NH2 2.78Å; E411-V415 PolarHBondContact O-N 2.99Å
412	M	97.7	Very high	95.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57	-41.1	168	-73.3	175.9	175.4	0	0	111.5	P310 L372 I385 T387 M389 C408 R414 V415 C416 L425 W444	P310-M412 HydrophobicContact CG-CE 3.78Å; L372-M412 HydrophobicContact CD1-CE 3.85Å; L372-M412 HydrophobicContact CD1-CG 3.94Å; L372-M412 HydrophobicContact CD2-CE 3.68Å; L372-M412 HydrophobicContact CG-CE 4.4Å; I385-M412 HydrophobicContact CD1-CB 3.55Å; I385-M412 HydrophobicContact CD1-CG 3.85Å; I385-M412 WeakPolarHBondContact CD1-O 3.32Å; I385-M412 HydrophobicContact CG2-CE 3.97Å; I385-M412 HydrophobicContact CG2-CG 4.12Å; I385-M412 HydrophobicContact CG2-SD 4.02Å; T387-M412 HydrophobicContact CG2-CE 3.72Å; M389-M412 HydrophobicContact SD-CE 3.87Å; C408-M412 VanDerWaalsContact O-CB 3.28Å; C408-M412 WeakPolarHBondContact O-CB 3.49Å; C408-M412 WeakPolarHBondContact O-CG 3.39Å; C408-M412 PolarHBondContact O-N 3.07Å; M412-R414 VanDerWaalsContact C-N 3.28Å; M412-R414 PolarHBondContact O-N 3.07Å; M412-V415 WeakPolarHBondContact O-CG2 3.47Å; M412-V415 PolarHBondContact O-N 3.3Å; M412-C416 WeakPolarHBondContact O-CB 3.48Å; M412-C416 PolarHBondContact O-N 3.02Å; M412-L425 HydrophobicContact CE-CD2 3.95Å; M412-L425 HydrophobicContact SD-CD1 4.18Å; M412-L425 HydrophobicContact SD-CD2 3.92Å; M412-W444 HydrophobicContact CB-CZ2 3.91Å
413	A	97.3	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.9	-28.7	178.2	0	0	0	0	0	112.9	L409 R410 E411 L443 W444 R466	L409-A413 WeakPolarHBondContact O-CB 3.29Å; L409-A413 PolarHBondContact O-N 3.28Å; R410-A413 WeakPolarHBondContact O-CA 3.35Å; R410-A413 VanDerWaalsContact O-CB 3.31Å; R410-A413 WeakPolarHBondContact O-CB 3.47Å; R410-A413 PolarHBondContact O-N 3.35Å; E411-A413 VanDerWaalsContact C-N 3.27Å; E411-A413 PolarHBondContact O-N 3.49Å; A413-L443 HydrophobicContact CB-CB 3.88Å; A413-L443 HydrophobicContact CB-CD1 3.88Å; A413-L443 HydrophobicContact CB-CD2 4.26Å; A413-L443 HydrophobicContact CB-CG 4.23Å; A413-W444 HydrophobicContact CB-CZ2 4.04Å; A413-R466 PolarHBondContact O-NE 3.06Å; A413-R466 PolarHBondContact O-NH2 2.8Å
414	R	97.3	Very high	96.4	Very high	36 Å²	36	23.9 Å²	23.9	14%	0.136	13%	0.131	C	C	.	.	H	α-helix	trans	-65.7	-51.7	175.1	-171.6	-177.2	66.8	72.2	-1.7	110.9	L375 I377 T379 S380 R410 E411 M412 F471	L375-R414 PolarHBondContact O-NH2 2.93Å; I377-R414 PolarHBondContact O-NH1 2.91Å; I377-R414 PolarHBondContact O-NH2 3.33Å; T379-R414 CarbonylContact C-O 3.38Å; T379-R414 VanDerWaalsContact CA-O 3.3Å; T379-R414 WeakPolarHBondContact CA-O 3.28Å; T379-R414 HydrophobicContact CG2-CG 4.11Å; T379-R414 VanDerWaalsContact CG2-O 3.28Å; T379-R414 WeakPolarHBondContact CG2-O 3.28Å; T379-R414 WeakPolarHBondContact OG1-CG 3.31Å; T379-R414 PolarHBondContact OG1-NH1 3.43Å; S380-R414 PolarHBondContact N-O 3.18Å; R410-R414 PolarHBondContact O-N 2.96Å; E411-R414 VanDerWaalsContact CD-NE 3.28Å; E411-R414 VanDerWaalsContact O-CB 3.29Å; E411-R414 WeakPolarHBondContact O-CB 3.14Å; E411-R414 PolarHBondContact O-N 3.17Å; E411-R414 VanDerWaalsContact O-N 3.12Å; E411-R414 IonicContact OE1-CZ 3.22Å; E411-R414 VanDerWaalsContact OE1-CZ 3.27Å; E411-R414 IonicContact OE1-NE 3.63Å; E411-R414 PolarHBondContact OE1-NE 3.42Å; E411-R414 VanDerWaalsContact OE1-NE 3.11Å; E411-R414 IonicContact OE1-NH2 2.62Å; E411-R414 PolarHBondContact OE1-NH2 3.16Å; E411-R414 WeakPolarHBondContact OE2-CD 3.47Å; E411-R414 IonicContact OE2-CZ 2.66Å; E411-R414 IonicContact OE2-NE 3.04Å; E411-R414 PolarHBondContact OE2-NE 3.15Å; E411-R414 IonicContact OE2-NH2 2.78Å; M412-R414 VanDerWaalsContact C-N 3.28Å; M412-R414 PolarHBondContact O-N 3.07Å; R414-F471 VanDerWaalsContact CA-CD2 3.5Å; R414-F471 HydrophobicContact CB-CD1 4.06Å; R414-F471 HydrophobicContact CB-CD2 3.7Å; R414-F471 HydrophobicContact CB-CE1 3.91Å; R414-F471 HydrophobicContact CB-CE2 3.54Å; R414-F471 HydrophobicContact CB-CG 3.95Å; R414-F471 HydrophobicContact CB-CZ 3.64Å; R414-F471 HydrophobicContact CG-CD1 3.62Å; R414-F471 HydrophobicContact CG-CD2 4.2Å; R414-F471 HydrophobicContact CG-CE1 3.56Å; R414-F471 HydrophobicContact CG-CE2 4.16Å; R414-F471 HydrophobicContact CG-CG 3.94Å; R414-F471 HydrophobicContact CG-CZ 3.84Å
415	V	98.1	Very high	96.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-77.8	-28.4	-174.8	-57.2	0	0	0	0	112.5	L308 L375 I377 S380 S381 V382 I385 E411 M412	L308-V415 HydrophobicContact CD2-CG2 4.08Å; L375-V415 HydrophobicContact CB-CG1 4.21Å; L375-V415 HydrophobicContact CD1-CG1 4.02Å; L375-V415 HydrophobicContact CD1-CG2 3.95Å; I377-V415 HydrophobicContact CB-CB 4.45Å; I377-V415 HydrophobicContact CB-CG1 3.89Å; I377-V415 HydrophobicContact CG2-CB 4.03Å; I377-V415 HydrophobicContact CG2-CG1 3.99Å; S380-V415 CarbonylContact C-O 3.51Å; S380-V415 WeakPolarHBondContact CA-O 3.46Å; S380-V415 PolarHBondContact N-O 3.2Å; S381-V415 PolarHBondContact N-O 2.95Å; V382-V415 HydrophobicContact CG2-CB 4.32Å; V382-V415 HydrophobicContact CG2-CG2 4.36Å; V382-V415 PolarHBondContact N-O 2.82Å; I385-V415 HydrophobicContact CD1-CG2 3.9Å; E411-V415 PolarHBondContact O-N 2.99Å; M412-V415 WeakPolarHBondContact O-CG2 3.47Å; M412-V415 PolarHBondContact O-N 3.3Å
416	C	98.2	Very high	96.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-76.5	139.3	-178.5	-166.2	0	0	0	0	112.7	V382 I385 M412 P418 G421 W444	V382-C416 CarbonylContact O-C 3.16Å; V382-C416 VanDerWaalsContact O-CA 3.29Å; V382-C416 WeakPolarHBondContact O-CA 3.44Å; I385-C416 HydrophobicContact CD1-CB 3.86Å; M412-C416 WeakPolarHBondContact O-CB 3.48Å; M412-C416 PolarHBondContact O-N 3.02Å; C416-P418 WeakPolarHBondContact O-CD 3.38Å; C416-G421 VanDerWaalsContact SG-CA 3.51Å; C416-W444 HydrophobicContact CB-CH2 3.94Å; C416-W444 HydrophobicContact CB-CZ2 4.46Å
417	R	97.6	Very high	97	Very high	107 Å²	107	20.6 Å²	20.6	40%	0.404	11%	0.113	S	C	.	.	P	Polyproline II helix	trans	-61.6	124.6	179.8	-71.7	-168.3	-170.1	-97.2	1.7	112.4	V382 D383 G421 R466	V382-R417 PolarHBondContact O-N 3.45Å; D383-R417 WeakPolarHBondContact OD1-CD 3.44Å; D383-R417 IonicContact OD1-CZ 2.64Å; D383-R417 IonicContact OD1-NE 3.1Å; D383-R417 PolarHBondContact OD1-NE 3.06Å; R417-G421 WeakPolarHBondContact O-CA 3.36Å; R417-G421 PolarHBondContact O-N 3.45Å; R417-R466 WeakPolarHBondContact O-CG 3.31Å
418	P	97.1	Very high	97.1	Very high	45 Å²	45	20.4 Å²	20.4	29%	0.292	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	140.3	173.9	-25.4	34.7	0	0	0	112.7	S380 C416 S420 T467	S380-P418 VanDerWaalsContact OG-CD 3.23Å; S380-P418 WeakPolarHBondContact OG-CD 3.21Å; C416-P418 WeakPolarHBondContact O-CD 3.38Å; P418-S420 PolarHBondContact O-N 2.92Å; P418-T467 CarbonylContact C-O 3.53Å; P418-T467 WeakPolarHBondContact CA-O 3.22Å
419	G	96.1	Very high	97	Very high	32 Å²	32	21 Å²	21	33%	0.33	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-38.7	173.6	0	0	0	0	0	116.1	K465 R466 T467	G419-K465 WeakPolarHBondContact O-CE 3.44Å; G419-R466 PolarHBondContact N-O 3.2Å; G419-T467 PolarHBondContact N-O 3.33Å
420	S	96.3	Very high	96.9	Very high	69 Å²	69	24.2 Å²	24.2	48%	0.483	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-33	179.9	59.1	0	0	0	0	113.7	P418	P418-S420 PolarHBondContact O-N 2.92Å
421	G	97.9	Very high	96.7	Very high	1 Å²	1	31 Å²	31	1%	0.01	16%	0.155	C	C	.	.			trans	-64.5	153.1	-169.1	0	0	0	0	0	114.4	D383 C416 R417 R466	D383-G421 CarbonylContact O-C 3.57Å; D383-G421 VanDerWaalsContact O-CA 3.22Å; D383-G421 WeakPolarHBondContact O-CA 3.27Å; C416-G421 VanDerWaalsContact SG-CA 3.51Å; R417-G421 WeakPolarHBondContact O-CA 3.36Å; R417-G421 PolarHBondContact O-N 3.45Å; G421-R466 WeakPolarHBondContact O-CB 3.4Å; G421-R466 PolarHBondContact O-N 3.13Å
422	K	98.4	Very high	96.5	Very high	58 Å²	58	30.2 Å²	30.2	25%	0.252	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.3	-178.3	-62.6	170.9	-169.3	152.6	0	111.1	C299 D383 I384 I385 L463 L464	C299-K422 WeakPolarHBondContact O-CD 3.28Å; C299-K422 PolarHBondContact O-NZ 3.47Å; D383-K422 PolarHBondContact O-N 2.86Å; I384-K422 CarbonylContact C-O 3.55Å; I384-K422 WeakPolarHBondContact CA-O 3.34Å; I385-K422 PolarHBondContact N-O 3.34Å; K422-L463 HydrophobicContact CB-CD1 4.44Å; K422-L464 WeakPolarHBondContact CA-O 3.39Å
423	A	98.4	Very high	96.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.6	167.4	0	0	0	0	0	110.9	I385 L425 W444 L464	I385-A423 HydrophobicContact CB-CB 4.15Å; I385-A423 CarbonylContact O-C 3.54Å; I385-A423 WeakPolarHBondContact O-CA 3.24Å; A423-L425 HydrophobicContact CB-CD2 4.32Å; A423-L425 HydrophobicContact CB-CG 4.28Å; A423-W444 HydrophobicContact CB-CE3 4.44Å; A423-W444 HydrophobicContact CB-CH2 3.71Å; A423-W444 HydrophobicContact CB-CZ2 4.39Å; A423-W444 HydrophobicContact CB-CZ3 3.74Å; A423-L464 HydrophobicContact CB-CB 4.24Å; A423-L464 HydrophobicContact CB-CD1 4.4Å; A423-L464 PolarHBondContact N-O 3.22Å; A423-L464 PolarHBondContact O-N 3.49Å
424	V	98.4	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	108.1	171.5	171.1	0	0	0	0	109.4	M295 L298 C299 I385 I386 T387 V461 Y462 L463	M295-V424 HydrophobicContact CB-CG1 3.99Å; M295-V424 HydrophobicContact CE-CG1 4.1Å; M295-V424 HydrophobicContact CG-CG1 4.34Å; L298-V424 HydrophobicContact CB-CG2 4.31Å; C299-V424 WeakPolarHBondContact SG-CG2 3.42Å; I385-V424 PolarHBondContact O-N 3.21Å; I386-V424 VanDerWaalsContact CA-O 3.3Å; I386-V424 WeakPolarHBondContact CA-O 3.42Å; I386-V424 HydrophobicContact CG1-CB 4.17Å; I386-V424 HydrophobicContact CG1-CG1 4.3Å; T387-V424 PolarHBondContact N-O 2.67Å; T387-V424 VanDerWaalsContact N-O 3.08Å; V424-V461 HydrophobicContact CG1-CG1 3.48Å; V424-V461 VanDerWaalsContact CG1-CG1 3.48Å; V424-Y462 WeakPolarHBondContact CA-O 3.48Å; V424-L463 HydrophobicContact CG2-CB 4.33Å; V424-L463 HydrophobicContact CG2-CD1 3.47Å; V424-L463 VanDerWaalsContact CG2-CD1 3.47Å; V424-L463 HydrophobicContact CG2-CG 4.48Å
425	L	98.3	Very high	96.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.2	-170.7	-52.9	-178.5	0	0	0	109.9	T387 M389 L409 M412 A423 F433 V461 Y462 L464	T387-L425 HydrophobicContact CG2-CD2 3.63Å; M389-L425 HydrophobicContact CG-CB 4.19Å; M389-L425 HydrophobicContact SD-CD2 4.21Å; L409-L425 HydrophobicContact CD2-CD1 3.53Å; M412-L425 HydrophobicContact CE-CD2 3.95Å; M412-L425 HydrophobicContact SD-CD1 4.18Å; M412-L425 HydrophobicContact SD-CD2 3.92Å; A423-L425 HydrophobicContact CB-CD2 4.32Å; A423-L425 HydrophobicContact CB-CG 4.28Å; L425-F433 HydrophobicContact CB-CE2 4.2Å; L425-F433 HydrophobicContact CB-CZ 4.15Å; L425-F433 HydrophobicContact CD1-CE2 3.78Å; L425-F433 HydrophobicContact CD1-CZ 3.88Å; L425-V461 WeakPolarHBondContact O-CA 3.28Å; L425-Y462 PolarHBondContact N-O 3.49Å; L425-Y462 WeakPolarHBondContact O-CD2 3.46Å; L425-Y462 PolarHBondContact O-N 3.17Å; L425-L464 HydrophobicContact CD1-CD1 3.8Å; L425-L464 HydrophobicContact CG-CD1 4.49Å
426	L	97.7	Very high	96	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.6	173.5	171.2	62.2	0	0	0	109.8	L287 L291 M295 T387 D388 M389 F391 V452 V454 A459 G460 V461	L287-L426 HydrophobicContact CD1-CD2 3.93Å; L287-L426 HydrophobicContact CD2-CD2 3.95Å; L291-L426 HydrophobicContact CD2-CD2 4.11Å; M295-L426 HydrophobicContact CE-CB 3.74Å; M295-L426 HydrophobicContact SD-CB 4.15Å; M295-L426 HydrophobicContact SD-CD2 4.11Å; T387-L426 PolarHBondContact O-N 2.85Å; D388-L426 HydrophobicContact CB-CD2 4.49Å; D388-L426 VanDerWaalsContact OD1-CD2 3.26Å; D388-L426 WeakPolarHBondContact OD1-CD2 3.33Å; D388-L426 WeakPolarHBondContact OD1-CG 3.33Å; M389-L426 WeakPolarHBondContact CB-O 3.33Å; M389-L426 PolarHBondContact N-O 2.89Å; F391-L426 HydrophobicContact CE1-CG 4.12Å; F391-L426 HydrophobicContact CZ-CD1 4.35Å; F391-L426 HydrophobicContact CZ-CD2 4.29Å; F391-L426 HydrophobicContact CZ-CG 3.94Å; L426-V452 HydrophobicContact CD1-CG2 3.83Å; L426-V454 HydrophobicContact CD1-CG2 4.3Å; L426-V454 HydrophobicContact CD2-CG2 4.29Å; L426-A459 HydrophobicContact CD1-CB 3.77Å; L426-G460 WeakPolarHBondContact CA-O 3.42Å; L426-V461 HydrophobicContact CB-CG2 4.39Å; L426-V461 HydrophobicContact CD1-CG2 3.75Å
427	T	95.9	Very high	95.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	146	170.3	-177.8	0	0	0	0	113.6	F391 Y405 D429 F433 G460 Y462	F391-T427 VanDerWaalsContact CE1-CA 3.44Å; Y405-T427 HydrophobicContact CE2-CG2 4.38Å; Y405-T427 PolarHBondContact OH-OG1 3.25Å; T427-D429 PolarHBondContact OG1-N 2.97Å; T427-F433 HydrophobicContact CG2-CB 3.82Å; T427-F433 HydrophobicContact CG2-CD1 4.4Å; T427-F433 HydrophobicContact CG2-CD2 3.77Å; T427-F433 HydrophobicContact CG2-CE2 4.44Å; T427-F433 HydrophobicContact CG2-CG 3.73Å; T427-G460 PolarHBondContact N-O 3.27Å; T427-G460 PolarHBondContact O-N 2.93Å; T427-Y462 HydrophobicContact CG2-CD2 4.16Å; T427-Y462 HydrophobicContact CG2-CE2 3.69Å
428	Q	94.8	Very high	95.6	Very high	33 Å²	33	36.8 Å²	36.8	15%	0.154	21%	0.209	C	C	.	.	S	Bend	trans	-86.5	-16.1	167.6	-153.4	-143.2	5	0	0	113.5	F391 K430 L457 H458 A459	F391-Q428 HydrophobicContact CB-CB 4.02Å; F391-Q428 HydrophobicContact CD1-CB 4.18Å; F391-Q428 VanDerWaalsContact CD1-N 3.33Å; F391-Q428 HydrophobicContact CD2-CB 3.67Å; F391-Q428 HydrophobicContact CE2-CB 4.18Å; F391-Q428 HydrophobicContact CG-CB 3.68Å; Q428-K430 PolarHBondContact O-N 3.23Å; Q428-L457 HydrophobicContact CG-CB 4.24Å; Q428-H458 WeakPolarHBondContact CG-O 3.39Å; Q428-A459 HydrophobicContact CB-CB 4.2Å; Q428-A459 HydrophobicContact CG-CB 4.36Å
429	D	93.4	Very high	95.4	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.07	22%	0.218	C	C	.	.			trans	-83.4	68.6	-176.9	-163.7	-14.8	0	0	0	111.4	N401 Y405 T427 K431 C432 F433	N401-D429 PolarHBondContact ND2-OD2 3.36Å; N401-D429 VanDerWaalsContact ND2-OD2 3.1Å; Y405-D429 HydrophobicContact CE2-CB 4.04Å; T427-D429 PolarHBondContact OG1-N 2.97Å; D429-K431 VanDerWaalsContact C-N 3.27Å; D429-K431 PolarHBondContact O-N 2.99Å; D429-C432 HydrophobicContact CB-CB 4.3Å; D429-C432 PolarHBondContact O-N 3.16Å; D429-C432 VanDerWaalsContact OD1-CB 3.28Å; D429-C432 WeakPolarHBondContact OD1-CB 3.5Å; D429-C432 PolarHBondContact OD1-N 3.36Å; D429-C432 WeakPolarHBondContact OD2-CB 3.28Å; D429-F433 VanDerWaalsContact O-CB 3.31Å; D429-F433 WeakPolarHBondContact O-CB 3.3Å; D429-F433 PolarHBondContact O-N 2.88Å
430	K	92.7	Very high	95.3	Very high	67 Å²	67	40 Å²	40	29%	0.291	21%	0.206	S	C	.	.	H	α-helix	trans	-56.2	-39.7	-173.7	-54	-176	-176.8	-154.3	0	112.5	Q428 A434 W451 H458	Q428-K430 PolarHBondContact O-N 3.23Å; K430-A434 VanDerWaalsContact O-CB 3.25Å; K430-A434 WeakPolarHBondContact O-CB 3.48Å; K430-A434 PolarHBondContact O-N 2.83Å; K430-W451 HydrophobicContact CD-CH2 3.64Å; K430-W451 HydrophobicContact CD-CZ3 3.55Å; K430-W451 HydrophobicContact CG-CH2 4.19Å; K430-W451 HydrophobicContact CG-CZ3 4.02Å; K430-W451 VanDerWaalsContact NZ-CE3 3.28Å; K430-H458 PolarHBondContact NZ-CD2 2.83Å; K430-H458 PolarHBondContact NZ-NE2 3.38Å
431	K	92.3	Very high	95	Very high	173 Å²	173	38.8 Å²	38.8	75%	0.752	20%	0.204	S	C	*	.	H	α-helix	trans	-70.1	-49.8	-176.6	-69.8	-174.3	179.5	-176.9	0	111.1	D429 F433 K435	D429-K431 VanDerWaalsContact C-N 3.27Å; D429-K431 PolarHBondContact O-N 2.99Å; K431-F433 VanDerWaalsContact C-N 3.35Å; K431-K435 PolarHBondContact O-N 2.77Å
432	C	93.7	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-48.1	177.8	-175	0	0	0	0	110.6	N401 W402 Y405 D429 A434 K435 A436	N401-C432 HydrophobicContact CB-CB 4.45Å; N401-C432 PolarHBondContact O-SG 2.97Å; W402-C432 VanDerWaalsContact CA-SG 3.57Å; W402-C432 HydrophobicContact CD2-CB 4.43Å; W402-C432 HydrophobicContact CE3-CB 4.4Å; W402-C432 HydrophobicContact CZ3-CB 4.45Å; Y405-C432 HydrophobicContact CD2-CB 4.06Å; Y405-C432 VanDerWaalsContact CD2-SG 3.59Å; Y405-C432 HydrophobicContact CE2-CB 4.18Å; D429-C432 HydrophobicContact CB-CB 4.3Å; D429-C432 PolarHBondContact O-N 3.16Å; D429-C432 VanDerWaalsContact OD1-CB 3.28Å; D429-C432 WeakPolarHBondContact OD1-CB 3.5Å; D429-C432 PolarHBondContact OD1-N 3.36Å; D429-C432 WeakPolarHBondContact OD2-CB 3.28Å; C432-A434 PolarHBondContact O-N 3.22Å; C432-K435 PolarHBondContact O-N 3.11Å; C432-A436 WeakPolarHBondContact O-CB 3.29Å; C432-A436 PolarHBondContact O-N 2.79Å
433	F	95.3	Very high	94.7	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-42.9	-178.2	-166.6	-99.6	0	0	0	112.8	Y405 L409 L425 T427 D429 K431 K435 A436 I437 Y462 L464	Y405-F433 HydrophobicContact CD2-CB 4.09Å; Y405-F433 AromaticContact CD2-CD2 4Å; Y405-F433 HydrophobicContact CD2-CD2 4Å; Y405-F433 HydrophobicContact CE2-CB 4.06Å; Y405-F433 HydrophobicContact CE2-CD2 4.19Å; L409-F433 HydrophobicContact CD2-CE2 4.46Å; L425-F433 HydrophobicContact CB-CE2 4.2Å; L425-F433 HydrophobicContact CB-CZ 4.15Å; L425-F433 HydrophobicContact CD1-CE2 3.78Å; L425-F433 HydrophobicContact CD1-CZ 3.88Å; T427-F433 HydrophobicContact CG2-CB 3.82Å; T427-F433 HydrophobicContact CG2-CD1 4.4Å; T427-F433 HydrophobicContact CG2-CD2 3.77Å; T427-F433 HydrophobicContact CG2-CE2 4.44Å; T427-F433 HydrophobicContact CG2-CG 3.73Å; D429-F433 VanDerWaalsContact O-CB 3.31Å; D429-F433 WeakPolarHBondContact O-CB 3.3Å; D429-F433 PolarHBondContact O-N 2.88Å; K431-F433 VanDerWaalsContact C-N 3.35Å; F433-K435 VanDerWaalsContact C-N 3.33Å; F433-K435 PolarHBondContact O-N 2.64Å; F433-A436 PolarHBondContact O-N 3.22Å; F433-I437 HydrophobicContact CD1-CG1 3.87Å; F433-I437 HydrophobicContact CE1-CD1 3.97Å; F433-I437 HydrophobicContact CE1-CG1 3.47Å; F433-I437 VanDerWaalsContact CE1-CG1 3.47Å; F433-I437 HydrophobicContact CE2-CD1 4.39Å; F433-I437 HydrophobicContact CE2-CG1 4.33Å; F433-I437 HydrophobicContact CG-CG1 4.45Å; F433-I437 HydrophobicContact CZ-CD1 3.77Å; F433-I437 HydrophobicContact CZ-CG1 3.74Å; F433-I437 WeakPolarHBondContact O-CG1 3.37Å; F433-I437 PolarHBondContact O-N 3.16Å; F433-Y462 AromaticContact CD1-CD1 3.89Å; F433-Y462 HydrophobicContact CD1-CD1 3.89Å; F433-Y462 AromaticContact CD1-CD2 3.67Å; F433-Y462 HydrophobicContact CD1-CD2 3.67Å; F433-Y462 AromaticContact CD1-CE1 3.88Å; F433-Y462 HydrophobicContact CD1-CE1 3.88Å; F433-Y462 AromaticContact CD1-CE2 3.68Å; F433-Y462 HydrophobicContact CD1-CE2 3.68Å; F433-Y462 AromaticContact CD1-CG 3.79Å; F433-Y462 HydrophobicContact CD1-CG 3.79Å; F433-Y462 AromaticContact CD1-CZ 3.77Å; F433-Y462 AromaticContact CE1-CD1 3.57Å; F433-Y462 HydrophobicContact CE1-CD1 3.57Å; F433-Y462 AromaticContact CE1-CD2 3.42Å; F433-Y462 HydrophobicContact CE1-CD2 3.42Å; F433-Y462 VanDerWaalsContact CE1-CD2 3.42Å; F433-Y462 HydrophobicContact CE1-CE1 4.06Å; F433-Y462 AromaticContact CE1-CE2 3.94Å; F433-Y462 HydrophobicContact CE1-CE2 3.94Å; F433-Y462 AromaticContact CE1-CG 3.21Å; F433-Y462 HydrophobicContact CE1-CG 3.21Å; F433-Y462 HydrophobicContact CG-CD2 4.43Å; F433-Y462 HydrophobicContact CG-CE2 4.28Å; F433-Y462 AromaticContact CZ-CD2 3.98Å; F433-Y462 HydrophobicContact CZ-CD2 3.98Å; F433-Y462 AromaticContact CZ-CG 3.94Å; F433-Y462 HydrophobicContact CZ-CG 3.94Å; F433-L464 HydrophobicContact CZ-CD1 4.31Å
434	A	94.8	Very high	94.6	Very high	61 Å²	61	37.5 Å²	37.5	50%	0.504	21%	0.205	S	C	.	.	H	α-helix	trans	-59.4	-42.3	176.6	0	0	0	0	0	112.3	K430 C432 S438	K430-A434 VanDerWaalsContact O-CB 3.25Å; K430-A434 WeakPolarHBondContact O-CB 3.48Å; K430-A434 PolarHBondContact O-N 2.83Å; C432-A434 PolarHBondContact O-N 3.22Å; A434-S438 WeakPolarHBondContact O-CB 3.33Å; A434-S438 PolarHBondContact O-N 3.1Å
435	K	94.3	Very high	94.5	Very high	100 Å²	100	44 Å²	44	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-68.4	-41.1	176.2	-163.7	-178.5	-171.1	177.6	0	111.6	W402 K431 C432 F433 S438 R439	W402-K435 HydrophobicContact CE3-CD 3.91Å; W402-K435 HydrophobicContact CH2-CB 4.46Å; W402-K435 HydrophobicContact CH2-CD 3.99Å; W402-K435 HydrophobicContact CZ3-CB 3.69Å; W402-K435 HydrophobicContact CZ3-CD 3.19Å; W402-K435 HydrophobicContact CZ3-CG 4.04Å; K431-K435 PolarHBondContact O-N 2.77Å; C432-K435 PolarHBondContact O-N 3.11Å; F433-K435 VanDerWaalsContact C-N 3.33Å; F433-K435 PolarHBondContact O-N 2.64Å; K435-S438 PolarHBondContact O-N 3.07Å; K435-R439 WeakPolarHBondContact O-CG 3.46Å; K435-R439 PolarHBondContact O-N 3.06Å
436	A	94.7	Very high	94.5	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-44.9	179	0	0	0	0	0	111.3	P406 L409 C432 F433 R439 M440	P406-A436 HydrophobicContact CG-CB 4.06Å; L409-A436 HydrophobicContact CD1-CB 3.73Å; C432-A436 WeakPolarHBondContact O-CB 3.29Å; C432-A436 PolarHBondContact O-N 2.79Å; F433-A436 PolarHBondContact O-N 3.22Å; A436-R439 WeakPolarHBondContact O-CB 3.24Å; A436-R439 PolarHBondContact O-N 2.84Å; A436-M440 VanDerWaalsContact O-CG 3.28Å; A436-M440 WeakPolarHBondContact O-CG 3.28Å; A436-M440 PolarHBondContact O-N 3.47Å
437	I	94.8	Very high	94.4	Very high	21 Å²	21	53.6 Å²	53.6	11%	0.108	28%	0.276	C	S	.	.	H	α-helix	trans	-64.4	-41.8	174.4	-67.2	-67	0	0	0	111.9	L409 F433 R439 M440 G441 L464	L409-I437 HydrophobicContact CD1-CD1 3.69Å; L409-I437 HydrophobicContact CD1-CG1 4.2Å; L409-I437 HydrophobicContact CD2-CD1 3.93Å; L409-I437 HydrophobicContact CG-CD1 4.49Å; F433-I437 HydrophobicContact CD1-CG1 3.87Å; F433-I437 HydrophobicContact CE1-CD1 3.97Å; F433-I437 HydrophobicContact CE1-CG1 3.47Å; F433-I437 VanDerWaalsContact CE1-CG1 3.47Å; F433-I437 HydrophobicContact CE2-CD1 4.39Å; F433-I437 HydrophobicContact CE2-CG1 4.33Å; F433-I437 HydrophobicContact CG-CG1 4.45Å; F433-I437 HydrophobicContact CZ-CD1 3.77Å; F433-I437 HydrophobicContact CZ-CG1 3.74Å; F433-I437 WeakPolarHBondContact O-CG1 3.37Å; F433-I437 PolarHBondContact O-N 3.16Å; I437-R439 PolarHBondContact O-N 2.87Å; I437-M440 CarbonylContact O-C 3.48Å; I437-M440 PolarHBondContact O-N 2.88Å; I437-M440 VanDerWaalsContact O-N 3.08Å; I437-G441 PolarHBondContact O-N 3.46Å; I437-L464 HydrophobicContact CD1-CD1 3.42Å; I437-L464 VanDerWaalsContact CD1-CD1 3.42Å; I437-L464 HydrophobicContact CD1-CD2 3.8Å; I437-L464 HydrophobicContact CD1-CG 4.27Å
438	S	93.3	Very high	94.3	Very high	97 Å²	97	58.6 Å²	58.6	68%	0.678	30%	0.298	S	S	*	.	H	α-helix	trans	-60.9	-35.5	175.9	-175.3	0	0	0	0	112.3	A434 K435 M440	A434-S438 WeakPolarHBondContact O-CB 3.33Å; A434-S438 PolarHBondContact O-N 3.1Å; K435-S438 PolarHBondContact O-N 3.07Å; S438-M440 VanDerWaalsContact C-N 3.35Å
439	R	92.1	Very high	94.4	Very high	130 Å²	130	58.3 Å²	58.3	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-71.1	-30.5	174.7	-75.3	175.9	170.9	-170.8	-5.6	112.5	K435 A436 I437 E476	K435-R439 WeakPolarHBondContact O-CG 3.46Å; K435-R439 PolarHBondContact O-N 3.06Å; A436-R439 WeakPolarHBondContact O-CB 3.24Å; A436-R439 PolarHBondContact O-N 2.84Å; I437-R439 PolarHBondContact O-N 2.87Å; R439-E476 WeakPolarHBondContact O-CG 3.41Å
440	M	93.6	Very high	94.5	Very high	15 Å²	15	58.2 Å²	58.2	7%	0.074	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	23.5	-176.4	-61.5	-67.6	111.2	0	0	113	L409 R410 A436 I437 S438 G442 L443 W444 E476	L409-M440 HydrophobicContact CB-CG 3.92Å; L409-M440 HydrophobicContact CD1-CG 4.22Å; R410-M440 HydrophobicContact CB-SD 4.11Å; A436-M440 VanDerWaalsContact O-CG 3.28Å; A436-M440 WeakPolarHBondContact O-CG 3.28Å; A436-M440 PolarHBondContact O-N 3.47Å; I437-M440 CarbonylContact O-C 3.48Å; I437-M440 PolarHBondContact O-N 2.88Å; I437-M440 VanDerWaalsContact O-N 3.08Å; S438-M440 VanDerWaalsContact C-N 3.35Å; M440-G442 VanDerWaalsContact C-N 3.27Å; M440-G442 PolarHBondContact O-N 2.97Å; M440-L443 PolarHBondContact O-N 3.4Å; M440-L443 HydrophobicContact SD-CD1 4.16Å; M440-W444 PolarHBondContact O-N 3.19Å; M440-E476 HydrophobicContact CE-CB 4.09Å; M440-E476 HydrophobicContact CE-CG 4.15Å
441	G	91.3	Very high	94.6	Very high	43 Å²	43	60.1 Å²	60.1	44%	0.443	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.2	-173	0	0	0	0	0	114.3	I437 L443	I437-G441 PolarHBondContact O-N 3.46Å; G441-L443 VanDerWaalsContact C-N 3.27Å; G441-L443 PolarHBondContact O-N 3.18Å
442	G	92.6	Very high	94.6	Very high	27 Å²	27	52 Å²	52	28%	0.278	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.1	173.1	0	0	0	0	0	113.6	M440 T467 A469 E476	M440-G442 VanDerWaalsContact C-N 3.27Å; M440-G442 PolarHBondContact O-N 2.97Å; G442-T467 WeakPolarHBondContact O-CB 3.43Å; G442-T467 WeakPolarHBondContact O-CG2 3.46Å; G442-T467 PolarHBondContact O-OG1 3.49Å; G442-A469 WeakPolarHBondContact O-CB 3.44Å; G442-E476 VanDerWaalsContact CA-OE1 3.3Å; G442-E476 WeakPolarHBondContact CA-OE1 3.44Å; G442-E476 PolarHBondContact N-OE1 3.03Å
443	L	95.6	Very high	94.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-34.8	-176.5	-65.1	172.9	0	0	0	113	A413 M440 G441 R466 T467 T474 E476	A413-L443 HydrophobicContact CB-CB 3.88Å; A413-L443 HydrophobicContact CB-CD1 3.88Å; A413-L443 HydrophobicContact CB-CD2 4.26Å; A413-L443 HydrophobicContact CB-CG 4.23Å; M440-L443 PolarHBondContact O-N 3.4Å; M440-L443 HydrophobicContact SD-CD1 4.16Å; G441-L443 VanDerWaalsContact C-N 3.27Å; G441-L443 PolarHBondContact O-N 3.18Å; L443-R466 WeakPolarHBondContact O-CD 3.36Å; L443-R466 PolarHBondContact O-NH1 2.82Å; L443-T467 WeakPolarHBondContact CA-OG1 3.4Å; L443-T467 PolarHBondContact O-N 3.39Å; L443-T467 PolarHBondContact O-OG1 3.47Å; L443-T474 HydrophobicContact CD2-CG2 3.77Å; L443-T474 HydrophobicContact CG-CG2 4.41Å; L443-E476 HydrophobicContact CD1-CB 4.44Å
444	W	97.1	Very high	94.2	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.1	-174.7	-66.7	108.5	0	0	0	112.4	L409 M412 A413 C416 A423 M440 L464 R466	L409-W444 PolarHBondContact O-NE1 3.09Å; M412-W444 HydrophobicContact CB-CZ2 3.91Å; A413-W444 HydrophobicContact CB-CZ2 4.04Å; C416-W444 HydrophobicContact CB-CH2 3.94Å; C416-W444 HydrophobicContact CB-CZ2 4.46Å; A423-W444 HydrophobicContact CB-CE3 4.44Å; A423-W444 HydrophobicContact CB-CH2 3.71Å; A423-W444 HydrophobicContact CB-CZ2 4.39Å; A423-W444 HydrophobicContact CB-CZ3 3.74Å; M440-W444 PolarHBondContact O-N 3.19Å; W444-L464 HydrophobicContact CB-CD1 4.44Å; W444-L464 HydrophobicContact CD2-CB 4.33Å; W444-L464 HydrophobicContact CD2-CD1 4.25Å; W444-L464 HydrophobicContact CE3-CB 3.68Å; W444-L464 HydrophobicContact CE3-CD1 4.36Å; W444-L464 HydrophobicContact CG-CD1 4.3Å; W444-L464 HydrophobicContact CZ3-CB 4.26Å; W444-R466 HydrophobicContact CE3-CB 4.27Å; W444-R466 HydrophobicContact CH2-CB 4.28Å; W444-R466 HydrophobicContact CZ3-CB 3.79Å
445	R	96.9	Very high	93.5	Very high	136 Å²	136	58.4 Å²	58.4	51%	0.513	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.9	166.4	-176.3	171.2	64.6	-139.6	6	109.9	L447 L464 K465	R445-L447 HydrophobicContact CG-CD2 4.47Å; R445-L447 PolarHBondContact O-N 2.92Å; R445-L464 CarbonylContact O-C 3.45Å; R445-L464 WeakPolarHBondContact O-CA 3.25Å; R445-K465 PolarHBondContact N-O 2.97Å; R445-K465 PolarHBondContact O-N 3.11Å
446	K	97.3	Very high	93.1	Very high	117 Å²	117	56.7 Å²	56.7	51%	0.509	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	122.1	171.1	-172.3	-176.7	69.8	172.4	0	109.7	Y462 L464	K446-Y462 HydrophobicContact CD-CD1 4.24Å; K446-L464 HydrophobicContact CB-CD2 3.92Å; K446-L464 HydrophobicContact CG-CD2 4.02Å
447	L	96.3	Very high	92.7	Very high	86 Å²	86	58.2 Å²	58.2	45%	0.45	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-51.9	177.3	-63.3	-172.5	0	0	0	111.7	R445 L463 K465	R445-L447 HydrophobicContact CG-CD2 4.47Å; R445-L447 PolarHBondContact O-N 2.92Å; L447-L463 HydrophobicContact CB-CD2 4.3Å; L447-L463 HydrophobicContact CB-CG 4.24Å; L447-L463 HydrophobicContact CD1-CD2 4.23Å; L447-L463 HydrophobicContact CD1-CG 4.32Å; L447-L463 PolarHBondContact N-O 3.35Å; L447-K465 HydrophobicContact CD1-CB 3.8Å; L447-K465 HydrophobicContact CD1-CD 4.4Å; L447-K465 HydrophobicContact CD2-CB 4.03Å; L447-K465 HydrophobicContact CG-CB 3.83Å
448	H	93	Very high	92.6	Very high	104 Å²	104	61.9 Å²	61.9	48%	0.481	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	159.3	-171.2	-173.2	63.3	0	0	0	110.8	V450 L463	H448-V450 WeakPolarHBondContact NE2-CG2 3.29Å; H448-L463 HydrophobicContact CB-CB 4.37Å; H448-L463 PolarHBondContact N-O 2.97Å; H448-L463 PolarHBondContact O-N 2.78Å
449	T	96.8	Very high	92.7	Very high	28 Å²	28	57.3 Å²	57.3	17%	0.172	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	123.1	174.9	-56.3	0	0	0	0	108.6	W451 V461 Y462	T449-W451 HydrophobicContact CG2-CD2 4.39Å; T449-W451 HydrophobicContact CG2-CH2 4.29Å; T449-W451 HydrophobicContact CG2-CZ2 4.08Å; T449-V461 WeakPolarHBondContact CA-O 3.22Å; T449-Y462 HydrophobicContact CG2-CD1 3.69Å; T449-Y462 HydrophobicContact CG2-CE1 3.61Å; T449-Y462 HydrophobicContact CG2-CG 4.37Å; T449-Y462 WeakPolarHBondContact OG1-CD1 3.49Å
450	V	95.5	Very high	92.9	Very high	10 Å²	10	51.1 Å²	51.1	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.7	173	-178	0	0	0	0	108.1	G46 F47 L298 H448 V452 V461	G46-V450 WeakPolarHBondContact O-CG1 3.34Å; F47-V450 HydrophobicContact CD2-CG1 4.49Å; F47-V450 HydrophobicContact CE2-CG1 4.32Å; F47-V450 HydrophobicContact CZ-CG1 4.42Å; L298-V450 HydrophobicContact CD1-CG2 3.89Å; L298-V450 HydrophobicContact CD2-CG2 4.15Å; H448-V450 WeakPolarHBondContact NE2-CG2 3.29Å; V450-V452 HydrophobicContact CG1-CG1 3.93Å; V450-V461 HydrophobicContact CB-CB 4.26Å; V450-V461 PolarHBondContact N-O 3.1Å; V450-V461 PolarHBondContact O-N 3.34Å
451	W	94.9	Very high	93.1	Very high	108 Å²	108	50.4 Å²	50.4	41%	0.409	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.8	175.9	-64.7	111.2	0	0	0	110.2	K430 T449 H458	K430-W451 HydrophobicContact CD-CH2 3.64Å; K430-W451 HydrophobicContact CD-CZ3 3.55Å; K430-W451 HydrophobicContact CG-CH2 4.19Å; K430-W451 HydrophobicContact CG-CZ3 4.02Å; K430-W451 VanDerWaalsContact NZ-CE3 3.28Å; T449-W451 HydrophobicContact CG2-CD2 4.39Å; T449-W451 HydrophobicContact CG2-CH2 4.29Å; T449-W451 HydrophobicContact CG2-CZ2 4.08Å; W451-H458 AromaticContact CE3-NE2 3.98Å
452	V	93.6	Very high	93.4	Very high	3 Å²	3	49 Å²	49	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.3	-171	-57.5	0	0	0	0	110.7	T45 F47 L291 L426 V450 V454 H458 A459 V461	T45-V452 WeakPolarHBondContact O-CA 3.43Å; T45-V452 WeakPolarHBondContact O-CG1 3.34Å; F47-V452 HydrophobicContact CD2-CG1 3.97Å; F47-V452 HydrophobicContact CE2-CG1 3.54Å; L291-V452 HydrophobicContact CD1-CG1 4.36Å; L426-V452 HydrophobicContact CD1-CG2 3.83Å; V450-V452 HydrophobicContact CG1-CG1 3.93Å; V452-V454 HydrophobicContact CG2-CG2 3.78Å; V452-H458 WeakPolarHBondContact O-CA 2.96Å; V452-A459 HydrophobicContact CG2-CB 4.14Å; V452-A459 WeakPolarHBondContact CG2-O 3.32Å; V452-A459 PolarHBondContact N-O 3.14Å; V452-A459 PolarHBondContact O-N 2.76Å; V452-V461 HydrophobicContact CG1-CG2 3.86Å; V452-V461 HydrophobicContact CG2-CG2 3.96Å
453	N	90.6	Very high	93.7	Very high	95 Å²	95	48.7 Å²	48.7	51%	0.508	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.3	170.5	-171.7	-16.6	0	0	0	109.9	G456 L457	N453-G456 WeakPolarHBondContact OD1-CA 3.08Å; N453-G456 PolarHBondContact OD1-N 2.62Å; N453-L457 PolarHBondContact OD1-N 3.1Å
454	V	88.3	Confident	93.8	Very high	28 Å²	28	48.7 Å²	48.7	17%	0.17	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	95.4	179.1	-172.8	0	0	0	0	108.8	L287 L291 L426 V452 G456 L457 A459	L287-V454 HydrophobicContact CD2-CG1 4.07Å; L291-V454 HydrophobicContact CD2-CG2 3.75Å; L426-V454 HydrophobicContact CD1-CG2 4.3Å; L426-V454 HydrophobicContact CD2-CG2 4.29Å; V452-V454 HydrophobicContact CG2-CG2 3.78Å; V454-G456 VanDerWaalsContact C-N 3.33Å; V454-G456 PolarHBondContact O-N 2.95Å; V454-L457 PolarHBondContact N-O 2.79Å; V454-L457 VanDerWaalsContact O-CB 3.24Å; V454-L457 WeakPolarHBondContact O-CB 3.44Å; V454-L457 PolarHBondContact O-N 3.14Å; V454-A459 HydrophobicContact CG2-CB 4.28Å
455	G	81.8	Confident	93.9	Very high	72 Å²	72	51.8 Å²	51.8	74%	0.742	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	39.8	178.1	0	0	0	0	0	113.7	L457	G455-L457 VanDerWaalsContact C-N 3.29Å
456	G	84.8	Confident	93.9	Very high	64 Å²	64	45.3 Å²	45.3	66%	0.66	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-4.9	-175.7	0	0	0	0	0	114	N453 V454	N453-G456 WeakPolarHBondContact OD1-CA 3.08Å; N453-G456 PolarHBondContact OD1-N 2.62Å; V454-G456 VanDerWaalsContact C-N 3.33Å; V454-G456 PolarHBondContact O-N 2.95Å
457	L	87.4	Confident	93.9	Very high	35 Å²	35	41 Å²	41	18%	0.183	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118	177.2	-56.4	179.3	0	0	0	110.3	F391 K393 Q428 N453 V454 G455 A459	F391-L457 HydrophobicContact CD2-CD1 3.81Å; F391-L457 HydrophobicContact CE2-CD1 4.18Å; K393-L457 HydrophobicContact CD-CD1 4.35Å; K393-L457 HydrophobicContact CD-CD2 4.17Å; K393-L457 VanDerWaalsContact NZ-CD2 3.26Å; Q428-L457 HydrophobicContact CG-CB 4.24Å; N453-L457 PolarHBondContact OD1-N 3.1Å; V454-L457 PolarHBondContact N-O 2.79Å; V454-L457 VanDerWaalsContact O-CB 3.24Å; V454-L457 WeakPolarHBondContact O-CB 3.44Å; V454-L457 PolarHBondContact O-N 3.14Å; G455-L457 VanDerWaalsContact C-N 3.29Å; L457-A459 PolarHBondContact O-N 2.85Å; L457-A459 VanDerWaalsContact O-N 3.11Å
458	H	91.9	Very high	93.8	Very high	98 Å²	98	39.9 Å²	39.9	45%	0.454	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	99.9	172.1	-175.4	63.4	0	0	0	110.2	Q428 K430 W451 V452	Q428-H458 WeakPolarHBondContact CG-O 3.39Å; K430-H458 PolarHBondContact NZ-CD2 2.83Å; K430-H458 PolarHBondContact NZ-NE2 3.38Å; W451-H458 AromaticContact CE3-NE2 3.98Å; V452-H458 WeakPolarHBondContact O-CA 2.96Å
459	A	94.8	Very high	93.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	161.2	-173.9	0	0	0	0	0	111.4	F391 L426 Q428 V452 V454 L457	F391-A459 HydrophobicContact CE2-CB 4.47Å; F391-A459 HydrophobicContact CZ-CB 4.33Å; L426-A459 HydrophobicContact CD1-CB 3.77Å; Q428-A459 HydrophobicContact CB-CB 4.2Å; Q428-A459 HydrophobicContact CG-CB 4.36Å; V452-A459 HydrophobicContact CG2-CB 4.14Å; V452-A459 WeakPolarHBondContact CG2-O 3.32Å; V452-A459 PolarHBondContact N-O 3.14Å; V452-A459 PolarHBondContact O-N 2.76Å; V454-A459 HydrophobicContact CG2-CB 4.28Å; L457-A459 PolarHBondContact O-N 2.85Å; L457-A459 VanDerWaalsContact O-N 3.11Å
460	G	96.8	Very high	93.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.8	176.2	0	0	0	0	0	111.2	L426 T427 Y462	L426-G460 WeakPolarHBondContact CA-O 3.42Å; T427-G460 PolarHBondContact N-O 3.27Å; T427-G460 PolarHBondContact O-N 2.93Å; G460-Y462 WeakPolarHBondContact O-CD2 3.25Å; G460-Y462 VanDerWaalsContact O-CE2 3.31Å; G460-Y462 WeakPolarHBondContact O-CE2 3.48Å
461	V	97.9	Very high	92.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.4	165	179.1	0	0	0	0	107.3	F47 M295 L298 V424 L425 L426 T449 V450 V452	F47-V461 HydrophobicContact CE2-CG2 4.29Å; F47-V461 HydrophobicContact CZ-CG1 4.4Å; F47-V461 HydrophobicContact CZ-CG2 4.22Å; M295-V461 HydrophobicContact CG-CG1 4.02Å; M295-V461 HydrophobicContact CG-CG2 4.2Å; L298-V461 HydrophobicContact CD1-CG1 3.75Å; V424-V461 HydrophobicContact CG1-CG1 3.48Å; V424-V461 VanDerWaalsContact CG1-CG1 3.48Å; L425-V461 WeakPolarHBondContact O-CA 3.28Å; L426-V461 HydrophobicContact CB-CG2 4.39Å; L426-V461 HydrophobicContact CD1-CG2 3.75Å; T449-V461 WeakPolarHBondContact CA-O 3.22Å; V450-V461 HydrophobicContact CB-CB 4.26Å; V450-V461 PolarHBondContact N-O 3.1Å; V450-V461 PolarHBondContact O-N 3.34Å; V452-V461 HydrophobicContact CG1-CG2 3.86Å; V452-V461 HydrophobicContact CG2-CG2 3.96Å
462	Y	98.1	Very high	92.1	Very high	14 Å²	14	37.6 Å²	37.6	6%	0.055	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.9	-175.1	-58.9	-92.3	0	0	0	110.1	V424 L425 T427 F433 K446 T449 G460	V424-Y462 WeakPolarHBondContact CA-O 3.48Å; L425-Y462 PolarHBondContact N-O 3.49Å; L425-Y462 WeakPolarHBondContact O-CD2 3.46Å; L425-Y462 PolarHBondContact O-N 3.17Å; T427-Y462 HydrophobicContact CG2-CD2 4.16Å; T427-Y462 HydrophobicContact CG2-CE2 3.69Å; F433-Y462 AromaticContact CD1-CD1 3.89Å; F433-Y462 HydrophobicContact CD1-CD1 3.89Å; F433-Y462 AromaticContact CD1-CD2 3.67Å; F433-Y462 HydrophobicContact CD1-CD2 3.67Å; F433-Y462 AromaticContact CD1-CE1 3.88Å; F433-Y462 HydrophobicContact CD1-CE1 3.88Å; F433-Y462 AromaticContact CD1-CE2 3.68Å; F433-Y462 HydrophobicContact CD1-CE2 3.68Å; F433-Y462 AromaticContact CD1-CG 3.79Å; F433-Y462 HydrophobicContact CD1-CG 3.79Å; F433-Y462 AromaticContact CD1-CZ 3.77Å; F433-Y462 AromaticContact CE1-CD1 3.57Å; F433-Y462 HydrophobicContact CE1-CD1 3.57Å; F433-Y462 AromaticContact CE1-CD2 3.42Å; F433-Y462 HydrophobicContact CE1-CD2 3.42Å; F433-Y462 VanDerWaalsContact CE1-CD2 3.42Å; F433-Y462 HydrophobicContact CE1-CE1 4.06Å; F433-Y462 AromaticContact CE1-CE2 3.94Å; F433-Y462 HydrophobicContact CE1-CE2 3.94Å; F433-Y462 AromaticContact CE1-CG 3.21Å; F433-Y462 HydrophobicContact CE1-CG 3.21Å; F433-Y462 HydrophobicContact CG-CD2 4.43Å; F433-Y462 HydrophobicContact CG-CE2 4.28Å; F433-Y462 AromaticContact CZ-CD2 3.98Å; F433-Y462 HydrophobicContact CZ-CD2 3.98Å; F433-Y462 AromaticContact CZ-CG 3.94Å; F433-Y462 HydrophobicContact CZ-CG 3.94Å; K446-Y462 HydrophobicContact CD-CD1 4.24Å; T449-Y462 HydrophobicContact CG2-CD1 3.69Å; T449-Y462 HydrophobicContact CG2-CE1 3.61Å; T449-Y462 HydrophobicContact CG2-CG 4.37Å; T449-Y462 WeakPolarHBondContact OG1-CD1 3.49Å; G460-Y462 WeakPolarHBondContact O-CD2 3.25Å; G460-Y462 VanDerWaalsContact O-CE2 3.31Å; G460-Y462 WeakPolarHBondContact O-CE2 3.48Å
463	L	98.1	Very high	91.5	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.105	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.1	170.1	175.8	63	0	0	0	109.3	K422 V424 L447 H448	K422-L463 HydrophobicContact CB-CD1 4.44Å; V424-L463 HydrophobicContact CG2-CB 4.33Å; V424-L463 HydrophobicContact CG2-CD1 3.47Å; V424-L463 VanDerWaalsContact CG2-CD1 3.47Å; V424-L463 HydrophobicContact CG2-CG 4.48Å; L447-L463 HydrophobicContact CB-CD2 4.3Å; L447-L463 HydrophobicContact CB-CG 4.24Å; L447-L463 HydrophobicContact CD1-CD2 4.23Å; L447-L463 HydrophobicContact CD1-CG 4.32Å; L447-L463 PolarHBondContact N-O 3.35Å; H448-L463 HydrophobicContact CB-CB 4.37Å; H448-L463 PolarHBondContact N-O 2.97Å; H448-L463 PolarHBondContact O-N 2.78Å
464	L	98.3	Very high	90.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.7	177	-46	179.2	0	0	0	109.7	L409 K422 A423 L425 F433 I437 W444 R445 K446	L409-L464 HydrophobicContact CD2-CD1 3.97Å; K422-L464 WeakPolarHBondContact CA-O 3.39Å; A423-L464 HydrophobicContact CB-CB 4.24Å; A423-L464 HydrophobicContact CB-CD1 4.4Å; A423-L464 PolarHBondContact N-O 3.22Å; A423-L464 PolarHBondContact O-N 3.49Å; L425-L464 HydrophobicContact CD1-CD1 3.8Å; L425-L464 HydrophobicContact CG-CD1 4.49Å; F433-L464 HydrophobicContact CZ-CD1 4.31Å; I437-L464 HydrophobicContact CD1-CD1 3.42Å; I437-L464 VanDerWaalsContact CD1-CD1 3.42Å; I437-L464 HydrophobicContact CD1-CD2 3.8Å; I437-L464 HydrophobicContact CD1-CG 4.27Å; W444-L464 HydrophobicContact CB-CD1 4.44Å; W444-L464 HydrophobicContact CD2-CB 4.33Å; W444-L464 HydrophobicContact CD2-CD1 4.25Å; W444-L464 HydrophobicContact CE3-CB 3.68Å; W444-L464 HydrophobicContact CE3-CD1 4.36Å; W444-L464 HydrophobicContact CG-CD1 4.3Å; W444-L464 HydrophobicContact CZ3-CB 4.26Å; R445-L464 CarbonylContact O-C 3.45Å; R445-L464 WeakPolarHBondContact O-CA 3.25Å; K446-L464 HydrophobicContact CB-CD2 3.92Å; K446-L464 HydrophobicContact CG-CD2 4.02Å
465	K	98	Very high	90.1	Very high	69 Å²	69	43.7 Å²	43.7	30%	0.3	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.3	169.4	180	165.8	179.5	171.9	0	109.5	G419 R445 L447 T467	G419-K465 WeakPolarHBondContact O-CE 3.44Å; R445-K465 PolarHBondContact N-O 2.97Å; R445-K465 PolarHBondContact O-N 3.11Å; L447-K465 HydrophobicContact CD1-CB 3.8Å; L447-K465 HydrophobicContact CD1-CD 4.4Å; L447-K465 HydrophobicContact CD2-CB 4.03Å; L447-K465 HydrophobicContact CG-CB 3.83Å; K465-T467 PolarHBondContact O-N 3.23Å
466	R	97.7	Very high	89.8	Confident	1 Å²	1	42 Å²	42	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	127.4	174.1	-172.1	66.9	-175.2	75.6	11.5	108.9	A413 R417 G419 G421 L443 W444 A469	A413-R466 PolarHBondContact O-NE 3.06Å; A413-R466 PolarHBondContact O-NH2 2.8Å; R417-R466 WeakPolarHBondContact O-CG 3.31Å; G419-R466 PolarHBondContact N-O 3.2Å; G421-R466 WeakPolarHBondContact O-CB 3.4Å; G421-R466 PolarHBondContact O-N 3.13Å; L443-R466 WeakPolarHBondContact O-CD 3.36Å; L443-R466 PolarHBondContact O-NH1 2.82Å; W444-R466 HydrophobicContact CE3-CB 4.27Å; W444-R466 HydrophobicContact CH2-CB 4.28Å; W444-R466 HydrophobicContact CZ3-CB 3.79Å; R466-A469 PolarHBondContact NH1-O 3.06Å; R466-A469 PolarHBondContact NH2-O 3.4Å
467	T	96.8	Very high	89	Confident	27 Å²	27	39.3 Å²	39.3	17%	0.166	23%	0.234	C	C	.	.			trans	-67.8	166.6	174.1	66.3	0	0	0	0	110.6	P418 G419 G442 L443 K465 A469	P418-T467 CarbonylContact C-O 3.53Å; P418-T467 WeakPolarHBondContact CA-O 3.22Å; G419-T467 PolarHBondContact N-O 3.33Å; G442-T467 WeakPolarHBondContact O-CB 3.43Å; G442-T467 WeakPolarHBondContact O-CG2 3.46Å; G442-T467 PolarHBondContact O-OG1 3.49Å; L443-T467 WeakPolarHBondContact CA-OG1 3.4Å; L443-T467 PolarHBondContact O-N 3.39Å; L443-T467 PolarHBondContact O-OG1 3.47Å; K465-T467 PolarHBondContact O-N 3.23Å; T467-A469 PolarHBondContact O-N 2.84Å; T467-A469 WeakPolarHBondContact OG1-CB 3.45Å; T467-A469 PolarHBondContact OG1-N 2.94Å
468	G	94.9	Very high	87.7	Confident	61 Å²	61	41.2 Å²	41.2	63%	0.629	25%	0.247	S	C	*	.	S	Bend	trans	-73.9	1	172.6	0	0	0	0	0	114.2	V470	G468-V470 PolarHBondContact O-N 3.01Å
469	A	90.6	Very high	85.8	Confident	31 Å²	31	43.8 Å²	43.8	26%	0.256	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-67.3	133.1	-176.5	0	0	0	0	0	111.4	G442 R466 T467 T474	G442-A469 WeakPolarHBondContact O-CB 3.44Å; R466-A469 PolarHBondContact NH1-O 3.06Å; R466-A469 PolarHBondContact NH2-O 3.4Å; T467-A469 PolarHBondContact O-N 2.84Å; T467-A469 WeakPolarHBondContact OG1-CB 3.45Å; T467-A469 PolarHBondContact OG1-N 2.94Å; A469-T474 HydrophobicContact CB-CG2 3.67Å
470	V	87.1	Confident	83.8	Confident	81 Å²	81	48.8 Å²	48.8	49%	0.491	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-70.2	129.6	175.1	-177.9	0	0	0	0	108.9	G468 Q473	G468-V470 PolarHBondContact O-N 3.01Å; V470-Q473 HydrophobicContact CB-CG 4.35Å; V470-Q473 HydrophobicContact CG1-CG 4.35Å; V470-Q473 PolarHBondContact O-N 2.97Å
471	F	85.5	Confident	81.3	Confident	47 Å²	47	52.7 Å²	52.7	21%	0.206	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	138.1	176.8	-174.7	-90.8	0	0	0	110.7	R410 R414	R410-F471 HydrophobicContact CG-CE2 4.02Å; R410-F471 HydrophobicContact CG-CZ 4.29Å; R410-F471 WeakPolarHBondContact O-CE2 3.39Å; R414-F471 VanDerWaalsContact CA-CD2 3.5Å; R414-F471 HydrophobicContact CB-CD1 4.06Å; R414-F471 HydrophobicContact CB-CD2 3.7Å; R414-F471 HydrophobicContact CB-CE1 3.91Å; R414-F471 HydrophobicContact CB-CE2 3.54Å; R414-F471 HydrophobicContact CB-CG 3.95Å; R414-F471 HydrophobicContact CB-CZ 3.64Å; R414-F471 HydrophobicContact CG-CD1 3.62Å; R414-F471 HydrophobicContact CG-CD2 4.2Å; R414-F471 HydrophobicContact CG-CE1 3.56Å; R414-F471 HydrophobicContact CG-CE2 4.16Å; R414-F471 HydrophobicContact CG-CG 3.94Å; R414-F471 HydrophobicContact CG-CZ 3.84Å
472	G	82.2	Confident	78.5	Confident	43 Å²	43	61.8 Å²	61.8	44%	0.443	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-7.1	-175.8	0	0	0	0	0	114.7	D477	G472-D477 VanDerWaalsContact C-OD2 3.32Å; G472-D477 VanDerWaalsContact CA-OD2 3.28Å; G472-D477 WeakPolarHBondContact CA-OD2 2.99Å; G472-D477 PolarHBondContact N-OD1 2.86Å; G472-D477 PolarHBondContact N-OD2 3.36Å
473	Q	80.2	Confident	75.6	Confident	150 Å²	150	63.8 Å²	63.8	70%	0.701	37%	0.369	S	S	*	.	S	Bend	trans	-115.1	-2	-176.6	-61.7	-175.8	-7.1	0	0	113.7	V470 D477	V470-Q473 HydrophobicContact CB-CG 4.35Å; V470-Q473 HydrophobicContact CG1-CG 4.35Å; V470-Q473 PolarHBondContact O-N 2.97Å; Q473-D477 PolarHBondContact N-OD2 3.12Å; Q473-D477 VanDerWaalsContact N-OD2 3.1Å
474	T	76.8	Confident	72.8	Confident	16 Å²	16	73.4 Å²	73.4	10%	0.098	40%	0.404	C	S	.	.	S	Bend	trans	-87.7	157	179.4	66.8	0	0	0	0	111.2	L443 A469 E476 D477 V478	L443-T474 HydrophobicContact CD2-CG2 3.77Å; L443-T474 HydrophobicContact CG-CG2 4.41Å; A469-T474 HydrophobicContact CB-CG2 3.67Å; T474-E476 WeakPolarHBondContact CB-OE2 3.27Å; T474-E476 PolarHBondContact O-N 2.96Å; T474-E476 VanDerWaalsContact O-N 3.13Å; T474-D477 WeakPolarHBondContact CB-OD2 3.21Å; T474-D477 PolarHBondContact N-OD2 3.11Å; T474-D477 WeakPolarHBondContact O-CA 3.43Å; T474-D477 VanDerWaalsContact O-CB 3.32Å; T474-D477 WeakPolarHBondContact O-CB 3.28Å; T474-D477 PolarHBondContact O-N 3.27Å; T474-D477 VanDerWaalsContact OG1-CG 3.25Å; T474-D477 PolarHBondContact OG1-N 2.92Å; T474-D477 PolarHBondContact OG1-OD2 3.17Å; T474-V478 PolarHBondContact O-N 3.27Å
475	S	71.8	Confident	69.7	Low	89 Å²	89	75.4 Å²	75.4	62%	0.622	43%	0.425	S	S	*	.	H	α-helix	trans	-55.7	-30.8	174.9	44	0	0	0	0	112.6	D477 V478 H479	S475-D477 VanDerWaalsContact C-N 3.27Å; S475-D477 PolarHBondContact O-N 3.23Å; S475-V478 PolarHBondContact O-N 3.28Å; S475-H479 WeakPolarHBondContact O-CB 3.47Å; S475-H479 PolarHBondContact O-N 3.12Å
476	E	75.4	Confident	66.8	Low	36 Å²	36	77.3 Å²	77.3	17%	0.168	44%	0.438	C	S	.	.	H	α-helix	trans	-67.5	-25.1	176.2	-62.1	86.5	151.3	0	0	112.5	R410 R439 M440 G442 L443 T474	R410-E476 PolarHBondContact NH1-O 3.48Å; R410-E476 VanDerWaalsContact NH1-O 3.1Å; R439-E476 WeakPolarHBondContact O-CG 3.41Å; M440-E476 HydrophobicContact CE-CB 4.09Å; M440-E476 HydrophobicContact CE-CG 4.15Å; G442-E476 VanDerWaalsContact CA-OE1 3.3Å; G442-E476 WeakPolarHBondContact CA-OE1 3.44Å; G442-E476 PolarHBondContact N-OE1 3.03Å; L443-E476 HydrophobicContact CD1-CB 4.44Å; T474-E476 WeakPolarHBondContact CB-OE2 3.27Å; T474-E476 PolarHBondContact O-N 2.96Å; T474-E476 VanDerWaalsContact O-N 3.13Å
477	D	68.8	Low	63.9	Low	7 Å²	7	80.4 Å²	80.4	4%	0.037	46%	0.463	C	S	.	.	H	α-helix	trans	-81.4	-38.3	172.2	-59.1	-64.7	0	0	0	113	R410 G472 Q473 T474 S475 S481	R410-D477 IonicContact CZ-OD1 3.79Å; R410-D477 IonicContact NH1-OD1 3.84Å; R410-D477 PolarHBondContact NH1-OD1 2.97Å; R410-D477 IonicContact NH2-OD1 2.79Å; R410-D477 PolarHBondContact NH2-OD1 3.15Å; G472-D477 VanDerWaalsContact C-OD2 3.32Å; G472-D477 VanDerWaalsContact CA-OD2 3.28Å; G472-D477 WeakPolarHBondContact CA-OD2 2.99Å; G472-D477 PolarHBondContact N-OD1 2.86Å; G472-D477 PolarHBondContact N-OD2 3.36Å; Q473-D477 PolarHBondContact N-OD2 3.12Å; Q473-D477 VanDerWaalsContact N-OD2 3.1Å; T474-D477 WeakPolarHBondContact CB-OD2 3.21Å; T474-D477 PolarHBondContact N-OD2 3.11Å; T474-D477 WeakPolarHBondContact O-CA 3.43Å; T474-D477 VanDerWaalsContact O-CB 3.32Å; T474-D477 WeakPolarHBondContact O-CB 3.28Å; T474-D477 PolarHBondContact O-N 3.27Å; T474-D477 VanDerWaalsContact OG1-CG 3.25Å; T474-D477 PolarHBondContact OG1-N 2.92Å; T474-D477 PolarHBondContact OG1-OD2 3.17Å; S475-D477 VanDerWaalsContact C-N 3.27Å; S475-D477 PolarHBondContact O-N 3.23Å; D477-S481 PolarHBondContact O-OG 3.34Å
478	V	59.5	Low	61	Low	75 Å²	75	85.1 Å²	85.1	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-79.5	-28.8	-173.7	-178.3	0	0	0	0	111.9	T474 S475 E480 S481	T474-V478 PolarHBondContact O-N 3.27Å; S475-V478 PolarHBondContact O-N 3.28Å; V478-E480 PolarHBondContact O-N 3.32Å; V478-S481 WeakPolarHBondContact CA-OG 3.38Å; V478-S481 PolarHBondContact O-N 3.3Å; V478-S481 PolarHBondContact O-OG 3.2Å; V478-S481 VanDerWaalsContact O-OG 3.1Å
479	H	53.7	Low	58.2	Low	153 Å²	153	89.2 Å²	89.2	71%	0.708	48%	0.484	S	S	*	.	H	α-helix	trans	-70.1	-31.4	-178.5	-141.8	61.1	0	0	0	113	S475	S475-H479 WeakPolarHBondContact O-CB 3.47Å; S475-H479 PolarHBondContact O-N 3.12Å
480	E	52.3	Low	55.7	Low	104 Å²	104	93.3 Å²	93.3	49%	0.486	50%	0.502	S	S	.	.	H	α-helix	trans	-76	-30.9	177.9	-121.5	-178	-169.8	0	0	112.9	R410 V478 R482 G483	R410-E480 VanDerWaalsContact CD-OE2 3.25Å; R410-E480 WeakPolarHBondContact CD-OE2 3.42Å; R410-E480 IonicContact CZ-OE2 2.69Å; R410-E480 IonicContact NE-OE2 2.77Å; R410-E480 PolarHBondContact NE-OE2 3.22Å; V478-E480 PolarHBondContact O-N 3.32Å; E480-R482 PolarHBondContact O-N 3.24Å; E480-G483 PolarHBondContact O-N 3.18Å
481	S	43.9	Very low	53.4	Low	82 Å²	82	96.4 Å²	96.4	57%	0.573	51%	0.511	S	S	*	.	H	α-helix	trans	-66.3	-25.7	177.8	10.6	0	0	0	0	112.2	D477 V478	D477-S481 PolarHBondContact O-OG 3.34Å; V478-S481 WeakPolarHBondContact CA-OG 3.38Å; V478-S481 PolarHBondContact O-N 3.3Å; V478-S481 PolarHBondContact O-OG 3.2Å; V478-S481 VanDerWaalsContact O-OG 3.1Å
482	R	39.3	Very low	51.1	Low	192 Å²	192	102.9 Å²	102.9	73%	0.725	53%	0.534	S	S	*	.	H	α-helix	trans	-77.4	-31	173.6	-71.6	-174.3	175.2	-173.5	-1.6	113.4	E480 R484 G485	E480-R482 PolarHBondContact O-N 3.24Å; R482-R484 VanDerWaalsContact C-N 3.28Å; R482-R484 PolarHBondContact O-N 2.92Å; R482-G485 PolarHBondContact O-N 3.34Å
483	G	36.1	Very low	49.1	Very low	55 Å²	55	106.7 Å²	106.7	57%	0.567	54%	0.544	S	S	*	.	H	α-helix	trans	-69.7	-19.3	179.3	0	0	0	0	0	114.8	E480	E480-G483 PolarHBondContact O-N 3.18Å
484	R	39.9	Very low	47.2	Very low	222 Å²	222	106.4 Å²	106.4	84%	0.838	55%	0.548	S	S	*	.	H	α-helix	trans	-81.1	-16.1	173.3	-111.5	-178.8	-179.7	-149.2	0.6	113.8	R482	R482-R484 VanDerWaalsContact C-N 3.28Å; R482-R484 PolarHBondContact O-N 2.92Å
485	G	32.5	Very low	45.5	Very low	43 Å²	43	114.5 Å²	114.5	44%	0.443	58%	0.582	S	S	.	*	H	α-helix	trans	-82.9	-29.7	-177.8	0	0	0	0	0	114.3	R482	R482-G485 PolarHBondContact O-N 3.34Å
486	D	36.8	Very low	43.9	Very low	109 Å²	109	118.8 Å²	118.8	58%	0.583	59%	0.592	S	S	*	*	H	α-helix	trans	-82.6	-27.9	-177.4	-75.3	-28	0	0	0	113	Q488 K489 D490	D486-Q488 PolarHBondContact O-N 3.16Å; D486-Q488 VanDerWaalsContact O-N 3.16Å; D486-K489 PolarHBondContact O-N 3.48Å; D486-K489 VanDerWaalsContact O-N 3.11Å; D486-D490 PolarHBondContact O-N 3.11Å
487	A	38.6	Very low	42.3	Very low	65 Å²	65	124.6 Å²	124.6	54%	0.537	62%	0.623	S	S	.	*	H	α-helix	trans	-64.1	-20.5	174.5	0	0	0	0	0	113.6
488	Q	35.9	Very low	40.8	Very low	127 Å²	127	134 Å²	134	59%	0.593	69%	0.687	S	S	*	*	H	α-helix	trans	-90.8	-5.7	178.5	-124.8	178.1	9.5	0	0	113.7	D486	D486-Q488 PolarHBondContact O-N 3.16Å; D486-Q488 VanDerWaalsContact O-N 3.16Å
489	K	36.3	Very low	39.8	Very low	146 Å²	146	137 Å²	137	64%	0.635	70%	0.699	S	S	*	*	H	α-helix	trans	-90.5	-37.7	171.3	-95.9	-178.4	171.5	-178.2	0	111.6	D486 E491 R492	D486-K489 PolarHBondContact O-N 3.48Å; D486-K489 VanDerWaalsContact O-N 3.11Å; K489-E491 VanDerWaalsContact C-N 3.3Å; K489-E491 PolarHBondContact O-N 3.34Å; K489-R492 PolarHBondContact O-N 3.14Å; K489-R492 VanDerWaalsContact O-N 3.14Å
490	D	38	Very low	39.1	Very low	117 Å²	117	136.2 Å²	136.2	63%	0.626	70%	0.699	S	S	*	*	H	α-helix	trans	-66.8	-28.3	178.6	-72.7	-17.2	0	0	0	113.1	D486 R492	D486-D490 PolarHBondContact O-N 3.11Å; D490-R492 VanDerWaalsContact C-N 3.27Å; D490-R492 PolarHBondContact O-N 3.37Å
491	E	38.2	Very low	38.4	Very low	147 Å²	147	137.9 Å²	137.9	69%	0.687	71%	0.71	S	S	*	*	H	α-helix	trans	-72.7	-13.6	174.5	-81.3	-170.3	162.2	0	0	114.5	K489	K489-E491 VanDerWaalsContact C-N 3.3Å; K489-E491 PolarHBondContact O-N 3.34Å
492	R	37.8	Very low	38	Very low	182 Å²	182	141.2 Å²	141.2	69%	0.687	72%	0.718	S	S	*	*	H	α-helix	trans	-88.4	-27.5	179.1	-92.4	-175.7	-106.8	-154.9	-5.6	113.3	K489 D490	K489-R492 PolarHBondContact O-N 3.14Å; K489-R492 VanDerWaalsContact O-N 3.14Å; D490-R492 VanDerWaalsContact C-N 3.27Å; D490-R492 PolarHBondContact O-N 3.37Å
493	D	38.6	Very low	37.9	Very low	123 Å²	123	138.1 Å²	138.1	66%	0.658	72%	0.718	S	S	*	*	H	α-helix	trans	-81.8	-19.3	-178.8	-73	-11.9	0	0	0	112.6	K495	D493-K495 VanDerWaalsContact C-N 3.33Å; D493-K495 PolarHBondContact O-N 3.45Å
494	D	41.1	Very low	38.1	Very low	145 Å²	145	143.6 Å²	143.6	78%	0.775	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-2.2	177.1	-84.9	-14.4	0	0	0	114.6
495	K	41.1	Very low	37.9	Very low	186 Å²	186	138 Å²	138	81%	0.809	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-0.3	178.2	-78.4	-169.2	179.2	180	0	115.3	D493	D493-K495 VanDerWaalsContact C-N 3.33Å; D493-K495 PolarHBondContact O-N 3.45Å
496	E	38	Very low	38.4	Very low	179 Å²	179	145.3 Å²	145.3	84%	0.836	74%	0.742	S	S	*	*	S	Bend	trans	-102.6	10.7	177.3	-78.8	-166.1	159.7	0	0	114.8
497	L	42.3	Very low	38.5	Very low	157 Å²	157	148.3 Å²	148.3	82%	0.822	76%	0.755	S	S	*	*			trans	-128.4	73.7	173.6	-79.2	156.3	0	0	0	111.1
498	C	36.1	Very low	38.5	Very low	206 Å²	206	155.9 Å²	155.9	100%	1.392	78%	0.775	S	S	*	*			trans	-145.6	0	156.7	-91.9	0	0	0	0	110.1

Retrieved 498 of 498 residues in 612.9 ms (Link to these results)

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