A0A077Z635_TRITR Loading...

Cytosolic Fe S cluster assembly factor

Component of the cytosolic iron-sulfur (Fe/S) protein assembly machinery. Required for maturation of extramitochondrial Fe/S proteins.

AlphaFold DB , UniProt , Accession A0A077Z635, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 392 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.3	Very low	41.2	Very low	216 Å²	216	93.8 Å²	93.8	100%	1.064	51%	0.514	S	S	*	.				0	101.3	0	-66.6	-172.7	-158.3	0	0	107.3	A3	M1-A3 PolarHBondContact O-N 3.33Å
2	A	29.4	Very low	41.2	Very low	89 Å²	89	86.5 Å²	86.5	74%	0.736	47%	0.473	S	S	*	.			trans	-62.5	130.6	177.8	0	0	0	0	0	109.1	K4	A2-K4 PolarHBondContact O-N 3.25Å
3	A	33.3	Very low	41.2	Very low	56 Å²	56	88.2 Å²	88.2	46%	0.463	48%	0.481	S	S	.	.			trans	-63.2	78.9	177.2	0	0	0	0	0	110.3	M1 G5 I6	M1-A3 PolarHBondContact O-N 3.33Å; A3-G5 PolarHBondContact O-N 3.15Å; A3-I6 HydrophobicContact CB-CD1 3.93Å; A3-I6 HydrophobicContact CB-CG1 4.22Å
4	K	33.4	Very low	41.2	Very low	214 Å²	214	88.3 Å²	88.3	93%	0.93	48%	0.481	S	S	*	.			trans	-68.7	19.2	-177.7	-102.5	-172	176.6	-174.9	0	113.9	A2	A2-K4 PolarHBondContact O-N 3.25Å
5	G	43.9	Very low	40.9	Very low	36 Å²	36	96.2 Å²	96.2	37%	0.371	51%	0.51	S	S	.	.			trans	-171.7	62.6	-172.3	0	0	0	0	0	111.9	A3 R345	A3-G5 PolarHBondContact O-N 3.15Å; G5-R345 VanDerWaalsContact C-NH1 3.32Å; G5-R345 PolarHBondContact O-NH1 3.12Å; G5-R345 PolarHBondContact O-NH2 3.45Å
6	I	45.8	Very low	40.6	Very low	59 Å²	59	96.2 Å²	96.2	30%	0.303	51%	0.509	S	S	.	.			trans	-98.9	131.2	158.3	-66.8	172.5	0	0	0	104.8	A3 R8 R322 T325	A3-I6 HydrophobicContact CB-CD1 3.93Å; A3-I6 HydrophobicContact CB-CG1 4.22Å; I6-R8 PolarHBondContact O-N 2.93Å; I6-R322 HydrophobicContact CD1-CG 4.28Å; I6-T325 HydrophobicContact CG2-CG2 4.03Å
7	V	45.3	Very low	39.9	Very low	34 Å²	34	93 Å²	93	21%	0.206	50%	0.499	C	S	.	.			trans	-64.2	107.4	169.3	175.6	0	0	0	0	105.1	L338 K341	V7-L338 HydrophobicContact CG1-CD1 4.41Å; V7-K341 HydrophobicContact CG1-CB 4.41Å
8	R	48.7	Very low	39.6	Very low	153 Å²	153	95.1 Å²	95.1	58%	0.577	52%	0.518	S	S	*	.			trans	-87.7	130.2	176.2	-64.7	-173	-179.8	-167.7	-0.6	107.7	I6 T10 D11	I6-R8 PolarHBondContact O-N 2.93Å; R8-T10 WeakPolarHBondContact CB-OG1 3.46Å; R8-T10 PolarHBondContact O-N 3.33Å; R8-D11 WeakPolarHBondContact O-CB 3.37Å; R8-D11 PolarHBondContact O-N 3.03Å; R8-D11 VanDerWaalsContact O-N 3.07Å
9	L	47.5	Very low	39.3	Very low	3 Å²	3	94.4 Å²	94.4	2%	0.016	52%	0.521	C	S	.	.	G	3₁₀ helix	trans	-65.1	-18.6	179.2	-69.6	171.1	0	0	0	112.6	D11 L12 Q306 L311 E313 A327 L338	L9-D11 PolarHBondContact O-N 3.33Å; L9-L12 HydrophobicContact CB-CD1 4.33Å; L9-L12 HydrophobicContact CD2-CD1 3.82Å; L9-L12 WeakPolarHBondContact O-CD1 3.48Å; L9-L12 PolarHBondContact O-N 3.02Å; L9-Q306 HydrophobicContact CB-CB 4.36Å; L9-Q306 HydrophobicContact CB-CG 3.95Å; L9-Q306 HydrophobicContact CD1-CG 4.29Å; L9-L311 HydrophobicContact CB-CD2 3.92Å; L9-L311 HydrophobicContact CB-CG 4.21Å; L9-L311 HydrophobicContact CD1-CD1 3.47Å; L9-L311 VanDerWaalsContact CD1-CD1 3.47Å; L9-L311 HydrophobicContact CD1-CD2 4.21Å; L9-L311 HydrophobicContact CD1-CG 3.59Å; L9-L311 HydrophobicContact CD2-CD1 3.77Å; L9-L311 HydrophobicContact CD2-CD2 4.08Å; L9-L311 HydrophobicContact CD2-CG 4.22Å; L9-L311 HydrophobicContact CG-CD1 4.12Å; L9-L311 HydrophobicContact CG-CD2 4.26Å; L9-L311 HydrophobicContact CG-CG 4.19Å; L9-E313 HydrophobicContact CB-CG 4.39Å; L9-E313 WeakPolarHBondContact CB-OE1 3.39Å; L9-E313 HydrophobicContact CD1-CG 3.43Å; L9-E313 VanDerWaalsContact CD1-CG 3.43Å; L9-E313 WeakPolarHBondContact CD1-OE1 3.46Å; L9-E313 HydrophobicContact CG-CG 4.15Å; L9-E313 WeakPolarHBondContact CG-OE1 3.2Å; L9-E313 PolarHBondContact N-OE1 2.85Å; L9-A327 HydrophobicContact CD1-CB 3.58Å; L9-L338 HydrophobicContact CD2-CD1 3.64Å; L9-L338 HydrophobicContact CD2-CD2 4.45Å; L9-L338 HydrophobicContact CD2-CG 4.5Å
10	T	46.2	Very low	39.4	Very low	81 Å²	81	96.4 Å²	96.4	50%	0.497	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-57.1	-29.3	170.1	53.2	0	0	0	0	113.2	R8 L12	R8-T10 WeakPolarHBondContact CB-OG1 3.46Å; R8-T10 PolarHBondContact O-N 3.33Å; T10-L12 PolarHBondContact O-N 2.96Å
11	D	49.8	Very low	39.2	Very low	91 Å²	91	94.7 Å²	94.7	49%	0.487	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-73.9	-7.8	-175.6	-58.5	-19.4	0	0	0	111.9	R8 L9 D13 K341	R8-D11 WeakPolarHBondContact O-CB 3.37Å; R8-D11 PolarHBondContact O-N 3.03Å; R8-D11 VanDerWaalsContact O-N 3.07Å; L9-D11 PolarHBondContact O-N 3.33Å; D11-D13 PolarHBondContact O-N 3.44Å; D11-K341 PolarHBondContact O-NZ 2.83Å
12	L	40.7	Very low	39.8	Very low	6 Å²	6	87.6 Å²	87.6	3%	0.031	50%	0.496	C	S	.	.			trans	-64.9	120.8	176.4	-84.2	86.9	0	0	0	106.8	L9 T10 K307 N337 K341	L9-L12 HydrophobicContact CB-CD1 4.33Å; L9-L12 HydrophobicContact CD2-CD1 3.82Å; L9-L12 WeakPolarHBondContact O-CD1 3.48Å; L9-L12 PolarHBondContact O-N 3.02Å; T10-L12 PolarHBondContact O-N 2.96Å; L12-K307 HydrophobicContact CB-CD 4.13Å; L12-K307 WeakPolarHBondContact O-CE 3.05Å; L12-K307 PolarHBondContact O-NZ 3.48Å; L12-N337 HydrophobicContact CD2-CB 3.73Å; L12-K341 HydrophobicContact CD1-CD 3.78Å; L12-K341 HydrophobicContact CG-CD 3.84Å
13	D	40.8	Very low	40.5	Very low	108 Å²	108	89.8 Å²	89.8	58%	0.578	49%	0.494	S	S	*	.			trans	-112.9	112.8	168.5	-80.3	-35.8	0	0	0	107.6	D11	D11-D13 PolarHBondContact O-N 3.44Å
14	D	42	Very low	40.8	Very low	90 Å²	90	93.5 Å²	93.5	48%	0.481	50%	0.5	S	S	.	.			trans	-171.7	114.1	173.4	-98.9	-19.8	0	0	0	105.3	K307	D14-K307 VanDerWaalsContact N-NZ 3.19Å; D14-K307 PolarHBondContact O-NZ 3.25Å
15	F	37.1	Very low	41.4	Very low	207 Å²	207	87 Å²	87	91%	0.908	48%	0.479	S	S	*	.			trans	-66	134.8	-179.6	178.2	-96.6	0	0	0	111
16	I	36	Very low	41.4	Very low	96 Å²	96	90.1 Å²	90.1	49%	0.492	49%	0.487	S	S	.	.			trans	-98.5	112.7	-172.7	-57.5	171.6	0	0	0	109.7	K307	I16-K307 HydrophobicContact CD1-CB 4.47Å
17	A	28.2	Very low	41.4	Very low	42 Å²	42	91.1 Å²	91.1	35%	0.347	50%	0.504	S	S	.	.			trans	-82.8	144.1	164.1	0	0	0	0	0	110.4	S19 Q20	A17-S19 PolarHBondContact O-N 2.87Å; A17-Q20 WeakPolarHBondContact O-CB 3.41Å; A17-Q20 PolarHBondContact O-N 3.26Å
18	P	33.5	Very low	41.4	Very low	130 Å²	130	92.6 Å²	92.6	84%	0.844	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-62.1	-15.9	-173.6	-16.4	24.7	0	0	0	115.6	Q20	P18-Q20 PolarHBondContact O-N 3.44Å
19	S	34.6	Very low	41.2	Very low	82 Å²	82	89.5 Å²	89.5	57%	0.573	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-76.8	3.6	179.3	56.4	0	0	0	0	114.4	A17	A17-S19 PolarHBondContact O-N 2.87Å
20	Q	41.9	Very low	41.1	Very low	135 Å²	135	92.2 Å²	92.2	63%	0.631	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-111	24.2	-169.5	-61.5	-92.8	-47.7	0	0	113.4	A17 P18 C22	A17-Q20 WeakPolarHBondContact O-CB 3.41Å; A17-Q20 PolarHBondContact O-N 3.26Å; P18-Q20 PolarHBondContact O-N 3.44Å; Q20-C22 PolarHBondContact O-N 2.97Å
21	A	35.5	Very low	41.2	Very low	61 Å²	61	96.9 Å²	96.9	50%	0.504	56%	0.556	S	S	.	*			trans	-55.6	136.6	165.9	0	0	0	0	0	109	I23	A21-I23 CarbonylContact C-O 3.46Å; A21-I23 CarbonylContact O-C 2.96Å; A21-I23 VanDerWaalsContact O-C 3.25Å; A21-I23 PolarHBondContact O-N 3.34Å
22	C	42.9	Very low	41.2	Very low	66 Å²	66	94.7 Å²	94.7	45%	0.446	55%	0.55	S	S	.	.	S	Bend	trans	-63.6	-11.7	-179.4	-161.1	0	0	0	0	113	Q20 G331	Q20-C22 PolarHBondContact O-N 2.97Å; C22-G331 WeakPolarHBondContact SG-CA 2.98Å
23	I	43	Very low	41.7	Very low	136 Å²	136	99.8 Å²	99.8	70%	0.697	59%	0.593	S	S	*	*	S	Bend	trans	-88.5	109.8	161.3	-57.4	168.6	0	0	0	105.6	A21 P25	A21-I23 CarbonylContact C-O 3.46Å; A21-I23 CarbonylContact O-C 2.96Å; A21-I23 VanDerWaalsContact O-C 3.25Å; A21-I23 PolarHBondContact O-N 3.34Å; I23-P25 VanDerWaalsContact O-CD 3.28Å; I23-P25 WeakPolarHBondContact O-CD 3.29Å
24	K	40.9	Very low	42	Very low	133 Å²	133	103.8 Å²	103.8	58%	0.578	60%	0.6	S	S	*	*			trans	-49.9	117.9	168.5	-163.2	-178	-175.8	-176.3	0	106.5	I26 D67	K24-I26 PolarHBondContact O-N 3.42Å; K24-D67 IonicContact NZ-OD1 3.35Å; K24-D67 PolarHBondContact NZ-OD1 2.79Å
25	P	45	Very low	42.4	Very low	77 Å²	77	100.7 Å²	100.7	50%	0.5	59%	0.587	S	S	.	*			trans	-53	132.8	177.4	-22.4	30.8	0	0	0	107.8	I23 A27	I23-P25 VanDerWaalsContact O-CD 3.28Å; I23-P25 WeakPolarHBondContact O-CD 3.29Å; P25-A27 PolarHBondContact O-N 2.74Å
26	I	44.8	Very low	43.3	Very low	102 Å²	102	100.5 Å²	100.5	52%	0.523	58%	0.58	S	S	.	*			trans	-53.3	109.9	178.7	-67	169.9	0	0	0	107	K24 V28 V61 I63	K24-I26 PolarHBondContact O-N 3.42Å; I26-V28 VanDerWaalsContact C-N 3.27Å; I26-V28 HydrophobicContact CG2-CG2 4.08Å; I26-V28 PolarHBondContact O-N 2.9Å; I26-V61 HydrophobicContact CG2-CB 3.7Å; I26-V61 HydrophobicContact CG2-CG1 3.86Å; I26-V61 HydrophobicContact CG2-CG2 3.46Å; I26-V61 VanDerWaalsContact CG2-CG2 3.46Å; I26-I63 HydrophobicContact CG1-CD1 4.49Å
27	A	45.5	Very low	44.2	Very low	80 Å²	80	99.6 Å²	99.6	66%	0.661	58%	0.579	S	S	*	*			trans	-75.2	86.2	178.3	0	0	0	0	0	107.8	P25 A29	P25-A27 PolarHBondContact O-N 2.74Å; A27-A29 PolarHBondContact O-N 2.99Å
28	V	45.9	Very low	45.4	Very low	66 Å²	66	100.9 Å²	100.9	40%	0.4	58%	0.579	S	S	.	*			trans	-68.4	113.9	167.2	-173.9	0	0	0	0	106	I26 S30 L58	I26-V28 VanDerWaalsContact C-N 3.27Å; I26-V28 HydrophobicContact CG2-CG2 4.08Å; I26-V28 PolarHBondContact O-N 2.9Å; V28-S30 PolarHBondContact O-N 2.98Å; V28-L58 HydrophobicContact CG1-CD1 3.83Å; V28-L58 HydrophobicContact CG1-CD2 4.09Å
29	A	44.5	Very low	46.1	Very low	88 Å²	88	99.5 Å²	99.5	73%	0.727	57%	0.568	S	S	*	*			trans	-66.9	83	172.3	0	0	0	0	0	108.7	A27	A27-A29 PolarHBondContact O-N 2.99Å
30	S	43.5	Very low	47	Very low	60 Å²	60	100.5 Å²	100.5	42%	0.42	56%	0.56	S	S	.	*			trans	-87.4	110.5	169.2	179	0	0	0	0	107.7	V28 A32 E48	V28-S30 PolarHBondContact O-N 2.98Å; S30-A32 PolarHBondContact O-N 3.39Å; S30-A32 PolarHBondContact OG-N 3.01Å; S30-A32 PolarHBondContact OG-O 3.44Å; S30-E48 WeakPolarHBondContact CB-OE1 3.48Å; S30-E48 PolarHBondContact OG-OE1 3.18Å
31	E	49.9	Very low	47.2	Very low	179 Å²	179	104 Å²	104	84%	0.836	58%	0.577	S	S	*	*	S	Bend	trans	-73.8	-11.5	170.4	-77.2	176.9	152.5	0	0	111.7	K56	E31-K56 IonicContact OE2-NZ 3.84Å
32	A	48.4	Very low	47.9	Very low	44 Å²	44	105 Å²	105	36%	0.364	59%	0.594	S	S	.	*			trans	-119.4	105.8	-175.8	0	0	0	0	0	110.4	S30 R34 A35	S30-A32 PolarHBondContact O-N 3.39Å; S30-A32 PolarHBondContact OG-N 3.01Å; S30-A32 PolarHBondContact OG-O 3.44Å; A32-R34 PolarHBondContact O-N 3.31Å; A32-A35 HydrophobicContact CB-CB 4.17Å; A32-A35 PolarHBondContact O-N 2.79Å; A32-A35 VanDerWaalsContact O-N 3.14Å
33	A	51	Low	48.2	Very low	113 Å²	113	107 Å²	107	93%	0.934	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	6.2	178	0	0	0	0	0	115.7
34	R	48.6	Very low	48.6	Very low	192 Å²	192	107.7 Å²	107.7	73%	0.725	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.8	4.4	-177.1	-70.7	-170.8	175.4	177.5	-2.3	115.4	A32 E51	A32-R34 PolarHBondContact O-N 3.31Å; R34-E51 WeakPolarHBondContact CD-OE1 3.11Å; R34-E51 IonicContact NH1-OE1 3.71Å; R34-E51 PolarHBondContact NH1-OE1 3.42Å
35	A	50.8	Low	49	Very low	26 Å²	26	105.2 Å²	105.2	22%	0.215	60%	0.598	C	S	.	*	P	Polyproline II helix	trans	-75.8	148	178.2	0	0	0	0	0	111.8	A32 E48	A32-A35 HydrophobicContact CB-CB 4.17Å; A32-A35 PolarHBondContact O-N 2.79Å; A32-A35 VanDerWaalsContact O-N 3.14Å; A35-E48 HydrophobicContact CB-CG 3.27Å; A35-E48 WeakPolarHBondContact CB-OE1 3.33Å
36	R	54.3	Low	49.7	Very low	202 Å²	202	107.3 Å²	107.3	76%	0.762	60%	0.596	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.9	129.2	174.8	-70.6	-177.3	-179.8	-179	0.2	109.1	V49	R36-V49 PolarHBondContact N-O 3.31Å; R36-V49 VanDerWaalsContact N-O 3.16Å; R36-V49 PolarHBondContact O-N 3.23Å
37	V	54.8	Low	50.7	Low	78 Å²	78	104 Å²	104	47%	0.473	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.8	122.1	169.9	-177.6	0	0	0	0	107.7	Y46 E47 L58	V37-Y46 HydrophobicContact CG1-CD1 4.26Å; V37-E47 WeakPolarHBondContact CA-O 3.37Å; V37-L58 HydrophobicContact CG1-CD1 4.32Å; V37-L58 HydrophobicContact CG2-CD1 4.16Å
38	I	54.8	Low	51.6	Low	68 Å²	68	100.9 Å²	100.9	35%	0.349	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.9	131.9	173.8	-54.8	-174.9	0	0	0	107.9	Y40 E47 V49	I38-Y40 HydrophobicContact CG2-CE2 4.29Å; I38-E47 PolarHBondContact N-O 2.68Å; I38-E47 PolarHBondContact O-N 3.43Å; I38-V49 HydrophobicContact CD1-CB 4.11Å; I38-V49 HydrophobicContact CD1-CG2 3.51Å; I38-V49 HydrophobicContact CG1-CG2 3.96Å
39	T	47.3	Very low	52.7	Low	101 Å²	101	98.9 Å²	98.9	62%	0.62	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.1	172.9	46.4	0	0	0	0	109.6	Y46	T39-Y46 HydrophobicContact CG2-CD1 4.26Å; T39-Y46 HydrophobicContact CG2-CE1 4.26Å
40	Y	53.9	Low	53.9	Low	103 Å²	103	96.8 Å²	96.8	40%	0.404	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-98	128.6	167.4	-69.2	-83	0	0	0	108.5	I38 G42 E47 K55	I38-Y40 HydrophobicContact CG2-CE2 4.29Å; Y40-G42 PolarHBondContact O-N 2.91Å; Y40-E47 HydrophobicContact CE2-CG 4.33Å; Y40-E47 VanDerWaalsContact CE2-OE2 3.32Å; Y40-E47 WeakPolarHBondContact CE2-OE2 3.26Å; Y40-K55 PolarHBondContact OH-NZ 3.47Å
41	E	45.6	Very low	55.2	Low	208 Å²	208	100.7 Å²	100.7	97%	0.972	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	121.4	172	-76.6	-178.7	159	0	0	109.3
42	G	50	Low	56.2	Low	84 Å²	84	98.5 Å²	98.5	87%	0.866	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.5	-16.1	171.4	0	0	0	0	0	116.2	Y40	Y40-G42 PolarHBondContact O-N 2.91Å
43	D	49.6	Very low	57.1	Low	107 Å²	107	98.8 Å²	98.8	57%	0.572	53%	0.527	S	S	*	.			trans	-118.8	130.2	174.1	-84.6	-33.3	0	0	0	110	L45	D43-L45 HydrophobicContact CB-CB 4.13Å; D43-L45 HydrophobicContact CB-CD1 3.95Å; D43-L45 HydrophobicContact CB-CG 4.2Å; D43-L45 PolarHBondContact O-N 3.13Å
44	D	50.6	Low	58.1	Low	150 Å²	150	101 Å²	101	80%	0.802	51%	0.511	S	S	*	.			trans	-67	24.5	171.6	-74.2	-38.9	0	0	0	112.9
45	L	50.6	Low	59.1	Low	82 Å²	82	97.3 Å²	97.3	43%	0.429	50%	0.501	S	S	.	.			trans	-94.1	110.8	-179.6	-71.5	164.4	0	0	0	109.4	D43 T57	D43-L45 HydrophobicContact CB-CB 4.13Å; D43-L45 HydrophobicContact CB-CD1 3.95Å; D43-L45 HydrophobicContact CB-CG 4.2Å; D43-L45 PolarHBondContact O-N 3.13Å; L45-T57 HydrophobicContact CD2-CG2 3.6Å
46	Y	59.6	Low	60.1	Low	120 Å²	120	101.5 Å²	101.5	47%	0.471	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	117.7	170.3	-63.5	-94.7	0	0	0	108.1	V37 T39 L58	V37-Y46 HydrophobicContact CG1-CD1 4.26Å; T39-Y46 HydrophobicContact CG2-CD1 4.26Å; T39-Y46 HydrophobicContact CG2-CE1 4.26Å; Y46-L58 VanDerWaalsContact O-CB 3.29Å; Y46-L58 WeakPolarHBondContact O-CB 3.26Å; Y46-L58 PolarHBondContact O-N 3.45Å
47	E	66.2	Low	60.6	Low	32 Å²	32	95.5 Å²	95.5	15%	0.15	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.5	173.5	-65.6	-165	148.2	0	0	110.3	V37 I38 Y40 K55	V37-E47 WeakPolarHBondContact CA-O 3.37Å; I38-E47 PolarHBondContact N-O 2.68Å; I38-E47 PolarHBondContact O-N 3.43Å; Y40-E47 HydrophobicContact CE2-CG 4.33Å; Y40-E47 VanDerWaalsContact CE2-OE2 3.32Å; Y40-E47 WeakPolarHBondContact CE2-OE2 3.26Å; E47-K55 WeakPolarHBondContact OE2-CD 3.27Å; E47-K55 WeakPolarHBondContact OE2-CE 3.3Å; E47-K55 IonicContact OE2-NZ 2.76Å; E47-K55 PolarHBondContact OE2-NZ 3.13Å
48	E	64.5	Low	60.8	Low	15 Å²	15	92.9 Å²	92.9	7%	0.07	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.5	166.9	-173.8	175.4	-149.6	0	0	108	S30 A35 K56 L58	S30-E48 WeakPolarHBondContact CB-OE1 3.48Å; S30-E48 PolarHBondContact OG-OE1 3.18Å; A35-E48 HydrophobicContact CB-CG 3.27Å; A35-E48 WeakPolarHBondContact CB-OE1 3.33Å; E48-K56 PolarHBondContact N-O 3.49Å; E48-K56 PolarHBondContact O-N 2.76Å; E48-L58 HydrophobicContact CB-CD1 4.12Å; E48-L58 HydrophobicContact CB-CD2 3.93Å; E48-L58 HydrophobicContact CB-CG 3.95Å
49	V	68.1	Low	60.9	Low	24 Å²	24	98.5 Å²	98.5	15%	0.145	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.9	175.7	-173.1	0	0	0	0	109.1	R36 I38 R54 K55	R36-V49 PolarHBondContact N-O 3.31Å; R36-V49 VanDerWaalsContact N-O 3.16Å; R36-V49 PolarHBondContact O-N 3.23Å; I38-V49 HydrophobicContact CD1-CB 4.11Å; I38-V49 HydrophobicContact CD1-CG2 3.51Å; I38-V49 HydrophobicContact CG1-CG2 3.96Å; V49-R54 WeakPolarHBondContact CA-O 3.28Å; V49-K55 HydrophobicContact CG2-CG 4.08Å
50	D	70.4	Confident	61.2	Low	44 Å²	44	99.1 Å²	99.1	24%	0.235	51%	0.511	C	S	.	.			trans	-81	174.7	175.9	76.2	6.6	0	0	0	112.5	L52 G53 R54	D50-L52 PolarHBondContact O-N 2.87Å; D50-L52 VanDerWaalsContact O-N 3.08Å; D50-L52 WeakPolarHBondContact OD1-CA 3.45Å; D50-L52 WeakPolarHBondContact OD1-CB 3.49Å; D50-L52 PolarHBondContact OD1-N 3.26Å; D50-G53 PolarHBondContact O-N 2.83Å; D50-G53 PolarHBondContact OD1-N 2.97Å; D50-G53 VanDerWaalsContact OD1-N 3.16Å; D50-R54 PolarHBondContact N-O 3.05Å; D50-R54 VanDerWaalsContact N-O 3.07Å; D50-R54 WeakPolarHBondContact OD1-CB 3.21Å; D50-R54 PolarHBondContact OD1-N 2.86Å; D50-R54 IonicContact OD1-NE 2.98Å; D50-R54 IonicContact OD2-CZ 2.72Å; D50-R54 IonicContact OD2-NE 2.88Å; D50-R54 PolarHBondContact OD2-NE 2.84Å; D50-R54 IonicContact OD2-NH2 3.27Å; D50-R54 PolarHBondContact OD2-NH2 3.09Å
51	E	69.7	Low	61.1	Low	143 Å²	143	97.5 Å²	97.5	67%	0.668	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20	-179.8	-62.2	-174.6	173.6	0	0	113.5	R34	R34-E51 WeakPolarHBondContact CD-OE1 3.11Å; R34-E51 IonicContact NH1-OE1 3.71Å; R34-E51 PolarHBondContact NH1-OE1 3.42Å
52	L	72.2	Confident	61.2	Low	133 Å²	133	92.4 Å²	92.4	70%	0.696	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	3.2	179.3	-70.3	160.3	0	0	0	112.4	D50 R54	D50-L52 PolarHBondContact O-N 2.87Å; D50-L52 VanDerWaalsContact O-N 3.08Å; D50-L52 WeakPolarHBondContact OD1-CA 3.45Å; D50-L52 WeakPolarHBondContact OD1-CB 3.49Å; D50-L52 PolarHBondContact OD1-N 3.26Å; L52-R54 HydrophobicContact CB-CG 4.21Å; L52-R54 PolarHBondContact O-N 3.24Å
53	G	67.2	Low	61.3	Low	50 Å²	50	93.1 Å²	93.1	52%	0.515	48%	0.481	S	S	.	.			trans	74.6	11	-176.2	0	0	0	0	0	113.6	D50	D50-G53 PolarHBondContact O-N 2.83Å; D50-G53 PolarHBondContact OD1-N 2.97Å; D50-G53 VanDerWaalsContact OD1-N 3.16Å
54	R	71.9	Confident	61.5	Low	159 Å²	159	91 Å²	91	60%	0.6	47%	0.472	S	S	*	.			trans	-77	130.6	175.8	-58.3	177.8	-65.3	-172.3	3.3	108.5	V49 D50 L52	V49-R54 WeakPolarHBondContact CA-O 3.28Å; D50-R54 PolarHBondContact N-O 3.05Å; D50-R54 VanDerWaalsContact N-O 3.07Å; D50-R54 WeakPolarHBondContact OD1-CB 3.21Å; D50-R54 PolarHBondContact OD1-N 2.86Å; D50-R54 IonicContact OD1-NE 2.98Å; D50-R54 IonicContact OD2-CZ 2.72Å; D50-R54 IonicContact OD2-NE 2.88Å; D50-R54 PolarHBondContact OD2-NE 2.84Å; D50-R54 IonicContact OD2-NH2 3.27Å; D50-R54 PolarHBondContact OD2-NH2 3.09Å; L52-R54 HydrophobicContact CB-CG 4.21Å; L52-R54 PolarHBondContact O-N 3.24Å
55	K	68.7	Low	61.6	Low	115 Å²	115	87 Å²	87	50%	0.5	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.4	-177.6	-63.9	167.4	153.7	-125.7	0	109.8	Y40 E47 V49	Y40-K55 PolarHBondContact OH-NZ 3.47Å; E47-K55 WeakPolarHBondContact OE2-CD 3.27Å; E47-K55 WeakPolarHBondContact OE2-CE 3.3Å; E47-K55 IonicContact OE2-NZ 2.76Å; E47-K55 PolarHBondContact OE2-NZ 3.13Å; V49-K55 HydrophobicContact CG2-CG 4.08Å
56	K	71.2	Confident	61.7	Low	114 Å²	114	85.7 Å²	85.7	50%	0.496	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115.4	170.2	-174.1	-179	179.2	-174.2	0	107.9	E31 E48 L58	E31-K56 IonicContact OE2-NZ 3.84Å; E48-K56 PolarHBondContact N-O 3.49Å; E48-K56 PolarHBondContact O-N 2.76Å; K56-L58 PolarHBondContact O-N 2.99Å
57	T	66.5	Low	61.4	Low	76 Å²	76	82.6 Å²	82.6	47%	0.466	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	118.3	171.9	-46.5	0	0	0	0	108.6	L45	L45-T57 HydrophobicContact CD2-CG2 3.6Å
58	L	59.3	Low	60.8	Low	22 Å²	22	85.1 Å²	85.1	12%	0.115	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-72.6	134.4	173.3	-64.7	170.9	0	0	0	108.2	V28 V37 Y46 E48 K56	V28-L58 HydrophobicContact CG1-CD1 3.83Å; V28-L58 HydrophobicContact CG1-CD2 4.09Å; V37-L58 HydrophobicContact CG1-CD1 4.32Å; V37-L58 HydrophobicContact CG2-CD1 4.16Å; Y46-L58 VanDerWaalsContact O-CB 3.29Å; Y46-L58 WeakPolarHBondContact O-CB 3.26Å; Y46-L58 PolarHBondContact O-N 3.45Å; E48-L58 HydrophobicContact CB-CD1 4.12Å; E48-L58 HydrophobicContact CB-CD2 3.93Å; E48-L58 HydrophobicContact CB-CG 3.95Å; K56-L58 PolarHBondContact O-N 2.99Å
59	K	56.1	Low	60.1	Low	187 Å²	187	86.3 Å²	86.3	81%	0.813	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-66.4	140.2	172.4	-68.1	-175.3	179	-178.3	0	108.5	V61	K59-V61 PolarHBondContact O-N 3.24Å
60	P	53.2	Low	59.1	Low	114 Å²	114	87.2 Å²	87.2	74%	0.74	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-50	128.1	168.6	-23.3	31.6	0	0	0	109	S62	P60-S62 PolarHBondContact O-N 3.15Å
61	V	51.1	Low	58.1	Low	69 Å²	69	87.3 Å²	87.3	42%	0.418	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-70.8	118.5	178.9	179.1	0	0	0	0	108.2	I26 K59 I63	I26-V61 HydrophobicContact CG2-CB 3.7Å; I26-V61 HydrophobicContact CG2-CG1 3.86Å; I26-V61 HydrophobicContact CG2-CG2 3.46Å; I26-V61 VanDerWaalsContact CG2-CG2 3.46Å; K59-V61 PolarHBondContact O-N 3.24Å; V61-I63 PolarHBondContact O-N 3.34Å
62	S	48.9	Very low	57.3	Low	100 Å²	100	86.8 Å²	86.8	70%	0.699	49%	0.489	S	S	*	.			trans	-78.3	109	171.6	60.2	0	0	0	0	109	P60	P60-S62 PolarHBondContact O-N 3.15Å
63	I	51.5	Low	56.4	Low	99 Å²	99	81.6 Å²	81.6	51%	0.508	47%	0.467	S	S	.	.			trans	-84.8	121.2	167.9	-59	174.9	0	0	0	106.6	I26 V61 D67	I26-I63 HydrophobicContact CG1-CD1 4.49Å; V61-I63 PolarHBondContact O-N 3.34Å; I63-D67 HydrophobicContact CG2-CB 3.76Å
64	T	53.2	Low	55.9	Low	62 Å²	62	79.7 Å²	79.7	38%	0.38	45%	0.446	S	S	.	.			trans	-83.9	160.2	175.7	63.9	0	0	0	0	110.4	N66 D67 C68	T64-N66 PolarHBondContact O-N 2.88Å; T64-N66 PolarHBondContact OG1-N 2.68Å; T64-D67 PolarHBondContact N-OD2 3.45Å; T64-D67 WeakPolarHBondContact O-CA 3.27Å; T64-D67 WeakPolarHBondContact O-CB 3.08Å; T64-D67 PolarHBondContact O-N 2.83Å; T64-D67 PolarHBondContact OG1-N 2.79Å; T64-D67 VanDerWaalsContact OG1-N 3.12Å; T64-D67 PolarHBondContact OG1-OD2 2.96Å; T64-C68 PolarHBondContact O-N 3.28Å
65	L	53.2	Low	55.4	Low	68 Å²	68	73.4 Å²	73.4	36%	0.356	42%	0.424	S	S	.	.	H	α-helix	trans	-58	-32	169.5	-172.5	74.6	0	0	0	111.3	D67 C68 L69 I83	L65-D67 VanDerWaalsContact C-N 3.3Å; L65-D67 PolarHBondContact O-N 3.48Å; L65-C68 CarbonylContact O-C 3.57Å; L65-C68 PolarHBondContact O-N 3.02Å; L65-C68 VanDerWaalsContact O-N 3.14Å; L65-L69 HydrophobicContact CD1-CD1 3.77Å; L65-L69 HydrophobicContact CD1-CG 3.98Å; L65-L69 HydrophobicContact CD2-CD1 3.69Å; L65-L69 HydrophobicContact CG-CD1 3.55Å; L65-L69 HydrophobicContact CG-CG 3.94Å; L65-L69 WeakPolarHBondContact O-CB 3.4Å; L65-L69 PolarHBondContact O-N 3.19Å; L65-I83 HydrophobicContact CD2-CB 3.63Å; L65-I83 HydrophobicContact CD2-CD1 4.29Å; L65-I83 HydrophobicContact CD2-CG2 3.22Å
66	N	54	Low	55.1	Low	53 Å²	53	71 Å²	71	28%	0.283	42%	0.419	S	S	.	.	H	α-helix	trans	-61.4	-35.9	170.1	-73.9	-44.2	0	0	0	111.7	T64 C68 A70 A80	T64-N66 PolarHBondContact O-N 2.88Å; T64-N66 PolarHBondContact OG1-N 2.68Å; N66-C68 VanDerWaalsContact C-N 3.27Å; N66-C68 PolarHBondContact O-N 2.89Å; N66-A70 HydrophobicContact CB-CB 4.09Å; N66-A70 WeakPolarHBondContact O-CA 3.41Å; N66-A70 WeakPolarHBondContact O-CB 3.29Å; N66-A70 PolarHBondContact O-N 2.81Å; N66-A80 WeakPolarHBondContact OD1-CB 3.22Å
67	D	52.1	Low	54.9	Low	55 Å²	55	70.7 Å²	70.7	29%	0.294	43%	0.431	S	S	.	.	H	α-helix	trans	-66.2	-31.3	174.6	-64.3	-66	0	0	0	112.6	K24 I63 T64 L65	K24-D67 IonicContact NZ-OD1 3.35Å; K24-D67 PolarHBondContact NZ-OD1 2.79Å; I63-D67 HydrophobicContact CG2-CB 3.76Å; T64-D67 PolarHBondContact N-OD2 3.45Å; T64-D67 WeakPolarHBondContact O-CA 3.27Å; T64-D67 WeakPolarHBondContact O-CB 3.08Å; T64-D67 PolarHBondContact O-N 2.83Å; T64-D67 PolarHBondContact OG1-N 2.79Å; T64-D67 VanDerWaalsContact OG1-N 3.12Å; T64-D67 PolarHBondContact OG1-OD2 2.96Å; L65-D67 VanDerWaalsContact C-N 3.3Å; L65-D67 PolarHBondContact O-N 3.48Å
68	C	53.4	Low	54.8	Low	86 Å²	86	71.3 Å²	71.3	58%	0.581	44%	0.438	S	S	*	.	H	α-helix	trans	-83	-36.1	177.1	-68.7	0	0	0	0	114	T64 L65 N66	T64-C68 PolarHBondContact O-N 3.28Å; L65-C68 CarbonylContact O-C 3.57Å; L65-C68 PolarHBondContact O-N 3.02Å; L65-C68 VanDerWaalsContact O-N 3.14Å; N66-C68 VanDerWaalsContact C-N 3.27Å; N66-C68 PolarHBondContact O-N 2.89Å
69	L	51	Low	55.2	Low	39 Å²	39	72.5 Å²	72.5	20%	0.204	44%	0.444	C	S	.	.	H	α-helix	trans	-106.3	-21.7	-173.8	-64.1	-174.8	0	0	0	113.8	L65 C71 I75 I83	L65-L69 HydrophobicContact CD1-CD1 3.77Å; L65-L69 HydrophobicContact CD1-CG 3.98Å; L65-L69 HydrophobicContact CD2-CD1 3.69Å; L65-L69 HydrophobicContact CG-CD1 3.55Å; L65-L69 HydrophobicContact CG-CG 3.94Å; L65-L69 WeakPolarHBondContact O-CB 3.4Å; L65-L69 PolarHBondContact O-N 3.19Å; L69-C71 PolarHBondContact O-N 3.49Å; L69-I75 HydrophobicContact CB-CD1 3.51Å; L69-I75 HydrophobicContact CB-CG1 4.12Å; L69-I75 HydrophobicContact CD1-CD1 3.93Å; L69-I75 HydrophobicContact CG-CD1 4.39Å; L69-I83 HydrophobicContact CD1-CD1 3.71Å
70	A	45.8	Very low	55.8	Low	44 Å²	44	63.8 Å²	63.8	36%	0.364	41%	0.406	S	S	.	.			trans	-86.4	32.7	-177.5	0	0	0	0	0	113.3	N66 S72	N66-A70 HydrophobicContact CB-CB 4.09Å; N66-A70 WeakPolarHBondContact O-CA 3.41Å; N66-A70 WeakPolarHBondContact O-CB 3.29Å; N66-A70 PolarHBondContact O-N 2.81Å; A70-S72 VanDerWaalsContact C-N 3.3Å; A70-S72 PolarHBondContact O-N 3.28Å
71	C	50.8	Low	56.6	Low	46 Å²	46	61.9 Å²	61.9	31%	0.311	39%	0.392	S	S	.	.	S	Bend	trans	-56.7	109.3	145.7	-53.3	0	0	0	0	105.9	L69 G73 C74 F332	L69-C71 PolarHBondContact O-N 3.49Å; C71-G73 PolarHBondContact O-N 3.05Å; C71-C74 PolarHBondContact O-N 2.9Å; C71-F332 HydrophobicContact CB-CB 3.71Å; C71-F332 HydrophobicContact CB-CD1 3.44Å; C71-F332 VanDerWaalsContact CB-CD1 3.44Å; C71-F332 HydrophobicContact CB-CE1 4.34Å; C71-F332 HydrophobicContact CB-CG 3.92Å
72	S	50.9	Low	57.5	Low	132 Å²	132	63.5 Å²	63.5	92%	0.923	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	42.4	-152.7	-40.1	0	0	0	0	119.8	A70	A70-S72 VanDerWaalsContact C-N 3.3Å; A70-S72 PolarHBondContact O-N 3.28Å
73	G	54.4	Low	58.5	Low	24 Å²	24	61 Å²	61	25%	0.247	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-164.7	-11.6	-177	0	0	0	0	0	117	C71	C71-G73 PolarHBondContact O-N 3.05Å
74	C	57.1	Low	59.4	Low	10 Å²	10	61.4 Å²	61.4	7%	0.068	38%	0.376	C	S	.	.	S	Bend	trans	-73.6	-50.5	177.1	-72.9	0	0	0	0	112.2	C71 G190 C193 F332	C71-C74 PolarHBondContact O-N 2.9Å; C74-G190 PolarHBondContact SG-O 2.98Å; C74-G190 VanDerWaalsContact SG-O 3.4Å; C74-C193 WeakPolarHBondContact O-CB 3.34Å; C74-F332 WeakPolarHBondContact SG-CD2 3.18Å; C74-F332 WeakPolarHBondContact SG-CE2 3.44Å; C74-F332 WeakPolarHBondContact SG-CZ 3.49Å
75	I	60.2	Low	60.3	Low	27 Å²	27	64.5 Å²	64.5	14%	0.138	38%	0.384	C	S	.	.			trans	-125.6	141.3	-172.5	60.8	170.3	0	0	0	110.4	L69 E79 A80 I83	L69-I75 HydrophobicContact CB-CD1 3.51Å; L69-I75 HydrophobicContact CB-CG1 4.12Å; L69-I75 HydrophobicContact CD1-CD1 3.93Å; L69-I75 HydrophobicContact CG-CD1 4.39Å; I75-E79 WeakPolarHBondContact CA-OE2 3.37Å; I75-E79 HydrophobicContact CB-CB 4.06Å; I75-E79 HydrophobicContact CG2-CB 4.42Å; I75-A80 HydrophobicContact CD1-CB 3.9Å; I75-I83 HydrophobicContact CD1-CD1 4.32Å; I75-I83 HydrophobicContact CG2-CD1 4.17Å
76	T	63.4	Low	61.2	Low	65 Å²	65	68.6 Å²	68.6	40%	0.399	40%	0.402	S	S	.	.			trans	-79.3	160.3	169.1	56.4	0	0	0	0	109.6	S78 E79 A80	T76-S78 PolarHBondContact O-N 2.88Å; T76-S78 VanDerWaalsContact O-N 3.15Å; T76-E79 WeakPolarHBondContact CB-OE2 2.96Å; T76-E79 PolarHBondContact N-OE2 2.81Å; T76-E79 PolarHBondContact O-N 3.37Å; T76-E79 WeakPolarHBondContact OG1-CG 3.35Å; T76-E79 PolarHBondContact OG1-N 2.86Å; T76-E79 PolarHBondContact OG1-OE2 2.81Å; T76-A80 PolarHBondContact O-N 3.42Å
77	S	66.3	Low	62.2	Low	107 Å²	107	67.2 Å²	67.2	75%	0.748	40%	0.4	S	S	*	.	H	α-helix	trans	-53.6	-35.7	174.4	-52.2	0	0	0	0	112.1	V81	S77-V81 WeakPolarHBondContact O-CG2 3.17Å; S77-V81 PolarHBondContact O-N 3.24Å
78	S	65.2	Low	63.7	Low	88 Å²	88	69.1 Å²	69.1	62%	0.615	42%	0.415	S	S	*	.	H	α-helix	trans	-68.4	-39.8	175.3	-52.5	0	0	0	0	113	T76 V81 L82	T76-S78 PolarHBondContact O-N 2.88Å; T76-S78 VanDerWaalsContact O-N 3.15Å; S78-V81 PolarHBondContact O-N 2.7Å; S78-L82 WeakPolarHBondContact O-CG 3.26Å; S78-L82 PolarHBondContact O-N 2.89Å; S78-L82 VanDerWaalsContact O-N 3.1Å
79	E	68.1	Low	65.1	Low	48 Å²	48	71.2 Å²	71.2	22%	0.224	42%	0.42	C	S	.	.	H	α-helix	trans	-69.4	-34.9	176.3	-74.1	157	160.8	0	0	112	I75 T76 V81 L82 I83 K197	I75-E79 WeakPolarHBondContact CA-OE2 3.37Å; I75-E79 HydrophobicContact CB-CB 4.06Å; I75-E79 HydrophobicContact CG2-CB 4.42Å; T76-E79 WeakPolarHBondContact CB-OE2 2.96Å; T76-E79 PolarHBondContact N-OE2 2.81Å; T76-E79 PolarHBondContact O-N 3.37Å; T76-E79 WeakPolarHBondContact OG1-CG 3.35Å; T76-E79 PolarHBondContact OG1-N 2.86Å; T76-E79 PolarHBondContact OG1-OE2 2.81Å; E79-V81 VanDerWaalsContact C-N 3.33Å; E79-V81 PolarHBondContact O-N 3.33Å; E79-L82 WeakPolarHBondContact O-CB 3.16Å; E79-L82 PolarHBondContact O-N 2.87Å; E79-L82 VanDerWaalsContact O-N 3.16Å; E79-I83 WeakPolarHBondContact O-CG1 3.45Å; E79-I83 PolarHBondContact O-N 2.97Å; E79-K197 WeakPolarHBondContact OE1-CE 3.18Å; E79-K197 IonicContact OE1-NZ 2.65Å; E79-K197 PolarHBondContact OE1-NZ 3.04Å; E79-K197 IonicContact OE2-NZ 2.64Å; E79-K197 PolarHBondContact OE2-NZ 2.92Å
80	A	68.3	Low	66.6	Low	3 Å²	3	74.3 Å²	74.3	3%	0.025	43%	0.434	C	S	.	.	H	α-helix	trans	-57.3	-47.9	172.1	0	0	0	0	0	111.3	N66 I75 T76 L82 I83 E84	N66-A80 WeakPolarHBondContact OD1-CB 3.22Å; I75-A80 HydrophobicContact CD1-CB 3.9Å; T76-A80 PolarHBondContact O-N 3.42Å; A80-L82 VanDerWaalsContact C-N 3.28Å; A80-L82 PolarHBondContact O-N 3.11Å; A80-I83 PolarHBondContact O-N 3.38Å; A80-I83 VanDerWaalsContact O-N 3.08Å; A80-E84 WeakPolarHBondContact O-CG 3.37Å; A80-E84 PolarHBondContact O-N 2.81Å
81	V	70.7	Confident	68.5	Low	74 Å²	74	75.6 Å²	75.6	45%	0.448	43%	0.434	S	S	.	.	H	α-helix	trans	-59.6	-38.8	175.5	173.3	0	0	0	0	111.6	S77 S78 E79 I83 E84 K85	S77-V81 WeakPolarHBondContact O-CG2 3.17Å; S77-V81 PolarHBondContact O-N 3.24Å; S78-V81 PolarHBondContact O-N 2.7Å; E79-V81 VanDerWaalsContact C-N 3.33Å; E79-V81 PolarHBondContact O-N 3.33Å; V81-I83 VanDerWaalsContact C-N 3.33Å; V81-I83 PolarHBondContact O-N 3.02Å; V81-E84 PolarHBondContact O-N 3.29Å; V81-K85 WeakPolarHBondContact O-CG 3.26Å; V81-K85 PolarHBondContact O-N 2.98Å; V81-K85 VanDerWaalsContact O-N 3.1Å
82	L	69.2	Low	70.2	Confident	104 Å²	104	76.5 Å²	76.5	55%	0.545	44%	0.436	S	S	.	.	H	α-helix	trans	-66.3	-33.8	176.2	-70.2	174	0	0	0	112.8	S78 E79 A80	S78-L82 WeakPolarHBondContact O-CG 3.26Å; S78-L82 PolarHBondContact O-N 2.89Å; S78-L82 VanDerWaalsContact O-N 3.1Å; E79-L82 WeakPolarHBondContact O-CB 3.16Å; E79-L82 PolarHBondContact O-N 2.87Å; E79-L82 VanDerWaalsContact O-N 3.16Å; A80-L82 VanDerWaalsContact C-N 3.28Å; A80-L82 PolarHBondContact O-N 3.11Å
83	I	68.9	Low	72	Confident	47 Å²	47	72.8 Å²	72.8	24%	0.241	41%	0.41	C	S	.	.	H	α-helix	trans	-77.3	-33.5	175.9	-54.2	161.3	0	0	0	110.8	L65 L69 I75 E79 A80 V81 K85 Q86	L65-I83 HydrophobicContact CD2-CB 3.63Å; L65-I83 HydrophobicContact CD2-CD1 4.29Å; L65-I83 HydrophobicContact CD2-CG2 3.22Å; L69-I83 HydrophobicContact CD1-CD1 3.71Å; I75-I83 HydrophobicContact CD1-CD1 4.32Å; I75-I83 HydrophobicContact CG2-CD1 4.17Å; E79-I83 WeakPolarHBondContact O-CG1 3.45Å; E79-I83 PolarHBondContact O-N 2.97Å; A80-I83 PolarHBondContact O-N 3.38Å; A80-I83 VanDerWaalsContact O-N 3.08Å; V81-I83 VanDerWaalsContact C-N 3.33Å; V81-I83 PolarHBondContact O-N 3.02Å; I83-K85 PolarHBondContact O-N 3.01Å; I83-Q86 WeakPolarHBondContact O-CA 3.48Å; I83-Q86 VanDerWaalsContact O-CB 3.3Å; I83-Q86 WeakPolarHBondContact O-CB 3.46Å; I83-Q86 PolarHBondContact O-N 3.46Å
84	E	70.2	Confident	73.5	Confident	107 Å²	107	75.7 Å²	75.7	50%	0.5	42%	0.416	S	S	.	.	H	α-helix	trans	-61.6	-31.9	172	-73.2	171.8	-176.5	0	0	112	A80 V81 Q86 G87	A80-E84 WeakPolarHBondContact O-CG 3.37Å; A80-E84 PolarHBondContact O-N 2.81Å; V81-E84 PolarHBondContact O-N 3.29Å; E84-Q86 PolarHBondContact O-N 3.29Å; E84-G87 PolarHBondContact O-N 3.47Å
85	K	72.7	Confident	74.9	Confident	128 Å²	128	75.2 Å²	75.2	56%	0.557	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-2.7	169.2	-70.6	-174.4	176	-165.3	0	114.4	V81 I83 G87 E90	V81-K85 WeakPolarHBondContact O-CG 3.26Å; V81-K85 PolarHBondContact O-N 2.98Å; V81-K85 VanDerWaalsContact O-N 3.1Å; I83-K85 PolarHBondContact O-N 3.01Å; K85-G87 VanDerWaalsContact C-N 3.3Å; K85-E90 WeakPolarHBondContact O-CB 3.48Å; K85-E90 VanDerWaalsContact O-CG 3.3Å; K85-E90 WeakPolarHBondContact O-CG 3.36Å
86	Q	73.3	Confident	76.1	Confident	154 Å²	154	80.1 Å²	80.1	72%	0.72	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	26	172.1	-57	178.8	10.6	0	0	111.5	I83 E84	I83-Q86 WeakPolarHBondContact O-CA 3.48Å; I83-Q86 VanDerWaalsContact O-CB 3.3Å; I83-Q86 WeakPolarHBondContact O-CB 3.46Å; I83-Q86 PolarHBondContact O-N 3.46Å; E84-Q86 PolarHBondContact O-N 3.29Å
87	G	74.9	Confident	77.3	Confident	24 Å²	24	81.8 Å²	81.8	25%	0.247	44%	0.438	C	S	.	.	S	Bend	trans	-81.8	171.5	179.8	0	0	0	0	0	114.5	E84 K85 D89 E90 L91	E84-G87 PolarHBondContact O-N 3.47Å; K85-G87 VanDerWaalsContact C-N 3.3Å; G87-D89 VanDerWaalsContact C-N 3.33Å; G87-D89 PolarHBondContact O-N 3.34Å; G87-E90 PolarHBondContact O-N 3.08Å; G87-L91 PolarHBondContact O-N 3Å
88	P	82.5	Confident	78	Confident	94 Å²	94	76.8 Å²	76.8	61%	0.61	40%	0.403	S	S	*	.	H	α-helix	trans	-62.8	-36.1	179.1	25.4	-33.7	0	0	0	113.1	L91 L92	P88-L91 PolarHBondContact O-N 2.89Å; P88-L92 VanDerWaalsContact O-CG 3.31Å; P88-L92 WeakPolarHBondContact O-CG 3.1Å; P88-L92 PolarHBondContact O-N 3.47Å
89	D	82.7	Confident	78.5	Confident	130 Å²	130	77.7 Å²	77.7	70%	0.695	40%	0.396	S	S	*	.	H	α-helix	trans	-67.5	-37.6	-179.1	-61	-35.6	0	0	0	112.3	G87 L92 S93	G87-D89 VanDerWaalsContact C-N 3.33Å; G87-D89 PolarHBondContact O-N 3.34Å; D89-L92 PolarHBondContact O-N 3.12Å; D89-S93 WeakPolarHBondContact O-CB 3.36Å; D89-S93 PolarHBondContact O-N 3.39Å; D89-S93 PolarHBondContact O-OG 2.8Å
90	E	83.9	Confident	79.1	Confident	105 Å²	105	82.6 Å²	82.6	49%	0.491	42%	0.421	S	S	.	.	H	α-helix	trans	-65.6	-43.3	173.7	-170.9	75.7	-176.4	0	0	110.4	K85 G87 L92 S93 F94	K85-E90 WeakPolarHBondContact O-CB 3.48Å; K85-E90 VanDerWaalsContact O-CG 3.3Å; K85-E90 WeakPolarHBondContact O-CG 3.36Å; G87-E90 PolarHBondContact O-N 3.08Å; E90-L92 PolarHBondContact O-N 2.92Å; E90-S93 WeakPolarHBondContact CA-OG 3.47Å; E90-S93 PolarHBondContact O-OG 3.49Å; E90-F94 WeakPolarHBondContact O-CB 3.4Å; E90-F94 PolarHBondContact O-N 3.14Å
91	L	84.6	Confident	79.6	Confident	71 Å²	71	87 Å²	87	37%	0.372	44%	0.441	S	S	.	.	H	α-helix	trans	-60.1	-47	177	176.6	64.4	0	0	0	111.4	G87 P88 F94 V95 I141	G87-L91 PolarHBondContact O-N 3Å; P88-L91 PolarHBondContact O-N 2.89Å; L91-F94 PolarHBondContact O-N 2.95Å; L91-V95 HydrophobicContact CD1-CG2 4.15Å; L91-V95 WeakPolarHBondContact O-CB 2.99Å; L91-V95 VanDerWaalsContact O-CG2 3.23Å; L91-V95 WeakPolarHBondContact O-CG2 3.38Å; L91-V95 PolarHBondContact O-N 3.01Å; L91-I141 HydrophobicContact CD2-CD1 4.39Å
92	L	86.6	Confident	79.5	Confident	64 Å²	64	84.8 Å²	84.8	34%	0.335	43%	0.433	S	S	.	.	H	α-helix	trans	-63.9	-50	-179.2	-71.3	171.9	0	0	0	111.4	P88 D89 E90 F94 V95 E96 I141	P88-L92 VanDerWaalsContact O-CG 3.31Å; P88-L92 WeakPolarHBondContact O-CG 3.1Å; P88-L92 PolarHBondContact O-N 3.47Å; D89-L92 PolarHBondContact O-N 3.12Å; E90-L92 PolarHBondContact O-N 2.92Å; L92-F94 VanDerWaalsContact C-N 3.31Å; L92-F94 PolarHBondContact O-N 3.28Å; L92-V95 PolarHBondContact O-N 3.29Å; L92-E96 WeakPolarHBondContact O-CG 3.37Å; L92-E96 PolarHBondContact O-N 3.04Å; L92-I141 HydrophobicContact CD2-CB 3.91Å; L92-I141 HydrophobicContact CD2-CD1 4.19Å; L92-I141 HydrophobicContact CD2-CG2 3.89Å
93	S	88	Confident	79.5	Confident	55 Å²	55	83.2 Å²	83.2	39%	0.385	43%	0.429	S	S	.	.	H	α-helix	trans	-61.8	-38.4	178.8	57.8	0	0	0	0	112.4	D89 E90 H97	D89-S93 WeakPolarHBondContact O-CB 3.36Å; D89-S93 PolarHBondContact O-N 3.39Å; D89-S93 PolarHBondContact O-OG 2.8Å; E90-S93 WeakPolarHBondContact CA-OG 3.47Å; E90-S93 PolarHBondContact O-OG 3.49Å; S93-H97 WeakPolarHBondContact O-CB 3.38Å; S93-H97 PolarHBondContact O-N 2.98Å
94	F	87.5	Confident	79.6	Confident	84 Å²	84	87.2 Å²	87.2	37%	0.368	44%	0.441	S	S	.	.	H	α-helix	trans	-66.4	-43.7	175.7	-177.9	-110.3	0	0	0	112.3	E90 L91 L92 H97 A98 W105 F107	E90-F94 WeakPolarHBondContact O-CB 3.4Å; E90-F94 PolarHBondContact O-N 3.14Å; L91-F94 PolarHBondContact O-N 2.95Å; L92-F94 VanDerWaalsContact C-N 3.31Å; L92-F94 PolarHBondContact O-N 3.28Å; F94-H97 PolarHBondContact O-N 2.89Å; F94-A98 WeakPolarHBondContact O-CB 3.28Å; F94-A98 PolarHBondContact O-N 3.37Å; F94-W105 HydrophobicContact CZ-CD2 4.41Å; F94-W105 HydrophobicContact CZ-CE3 4.13Å; F94-W105 HydrophobicContact CZ-CH2 4.15Å; F94-W105 HydrophobicContact CZ-CZ2 4.43Å; F94-W105 HydrophobicContact CZ-CZ3 4Å; F94-F107 AromaticContact CD1-CE1 3.61Å; F94-F107 HydrophobicContact CD1-CE1 3.61Å; F94-F107 HydrophobicContact CD1-CZ 4.09Å; F94-F107 AromaticContact CE1-CE1 3.51Å; F94-F107 HydrophobicContact CE1-CE1 3.51Å; F94-F107 AromaticContact CE1-CZ 3.88Å; F94-F107 HydrophobicContact CE1-CZ 3.88Å
95	V	85.6	Confident	79.9	Confident	1 Å²	1	86.6 Å²	86.6	1%	0.006	43%	0.434	C	S	.	.	H	α-helix	trans	-63.6	-43	176.5	171.7	0	0	0	0	111.2	L91 L92 K99 F107 I141	L91-V95 HydrophobicContact CD1-CG2 4.15Å; L91-V95 WeakPolarHBondContact O-CB 2.99Å; L91-V95 VanDerWaalsContact O-CG2 3.23Å; L91-V95 WeakPolarHBondContact O-CG2 3.38Å; L91-V95 PolarHBondContact O-N 3.01Å; L92-V95 PolarHBondContact O-N 3.29Å; V95-K99 HydrophobicContact CG1-CD 4.11Å; V95-K99 WeakPolarHBondContact O-CB 3.38Å; V95-K99 VanDerWaalsContact O-CG 3.26Å; V95-K99 WeakPolarHBondContact O-CG 3.32Å; V95-K99 PolarHBondContact O-N 2.85Å; V95-F107 HydrophobicContact CB-CE1 4.43Å; V95-F107 HydrophobicContact CB-CZ 4.4Å; V95-F107 HydrophobicContact CG2-CD1 3.74Å; V95-F107 HydrophobicContact CG2-CE1 3.58Å; V95-F107 HydrophobicContact CG2-CG 4.29Å; V95-F107 HydrophobicContact CG2-CZ 4.01Å; V95-I141 VanDerWaalsContact CG1-O 3.24Å; V95-I141 WeakPolarHBondContact CG1-O 3.28Å
96	E	86.7	Confident	80	Confident	129 Å²	129	83.3 Å²	83.3	60%	0.603	42%	0.423	S	S	*	.	H	α-helix	trans	-61.7	-46.2	176.3	-74.4	178.3	175.7	0	0	111.8	L92 K99 M100	L92-E96 WeakPolarHBondContact O-CG 3.37Å; L92-E96 PolarHBondContact O-N 3.04Å; E96-K99 PolarHBondContact O-N 2.67Å; E96-M100 PolarHBondContact O-N 2.7Å
97	H	86.9	Confident	80.4	Confident	101 Å²	101	77.1 Å²	77.1	47%	0.468	39%	0.393	S	S	.	.	H	α-helix	trans	-62.7	-48.3	177.8	-175.2	66.5	0	0	0	112.2	S93 F94 K99 M100 E101	S93-H97 WeakPolarHBondContact O-CB 3.38Å; S93-H97 PolarHBondContact O-N 2.98Å; F94-H97 PolarHBondContact O-N 2.89Å; H97-K99 VanDerWaalsContact C-N 3.29Å; H97-K99 PolarHBondContact O-N 3.38Å; H97-M100 WeakPolarHBondContact O-CB 3.43Å; H97-M100 PolarHBondContact O-N 3.39Å; H97-E101 IonicContact NE2-OE1 2.85Å; H97-E101 PolarHBondContact O-N 2.96Å
98	A	82.6	Confident	80.7	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.008	40%	0.395	C	S	.	.	H	α-helix	trans	-60.5	-36.5	179	0	0	0	0	0	113	F94 M100 E101 W105 F107	F94-A98 WeakPolarHBondContact O-CB 3.28Å; F94-A98 PolarHBondContact O-N 3.37Å; A98-M100 VanDerWaalsContact C-N 3.29Å; A98-M100 PolarHBondContact O-N 3.34Å; A98-E101 PolarHBondContact O-N 3.44Å; A98-W105 HydrophobicContact CB-CB 4.21Å; A98-W105 VanDerWaalsContact CB-CD1 3.41Å; A98-W105 HydrophobicContact CB-CD2 4.45Å; A98-W105 HydrophobicContact CB-CG 3.78Å; A98-F107 HydrophobicContact CB-CE2 3.7Å; A98-F107 HydrophobicContact CB-CZ 3.37Å
99	K	75.5	Confident	80.8	Confident	108 Å²	108	74.4 Å²	74.4	47%	0.47	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-33.5	174.6	-79	171.6	171.6	177.2	0	112.6	V95 E96 H97 E101 G102 I141 G142	V95-K99 HydrophobicContact CG1-CD 4.11Å; V95-K99 WeakPolarHBondContact O-CB 3.38Å; V95-K99 VanDerWaalsContact O-CG 3.26Å; V95-K99 WeakPolarHBondContact O-CG 3.32Å; V95-K99 PolarHBondContact O-N 2.85Å; E96-K99 PolarHBondContact O-N 2.67Å; H97-K99 VanDerWaalsContact C-N 3.29Å; H97-K99 PolarHBondContact O-N 3.38Å; K99-E101 VanDerWaalsContact C-N 3.33Å; K99-G102 PolarHBondContact O-N 3.08Å; K99-I141 PolarHBondContact NZ-O 2.84Å; K99-G142 VanDerWaalsContact CE-CA 3.45Å
100	M	80.5	Confident	81	Confident	151 Å²	151	70.2 Å²	70.2	74%	0.744	35%	0.351	S	S	*	.	H	α-helix	trans	-71.8	-27.2	176.3	-66.3	-172.4	-73.5	0	0	112.7	E96 H97 A98 G102	E96-M100 PolarHBondContact O-N 2.7Å; H97-M100 WeakPolarHBondContact O-CB 3.43Å; H97-M100 PolarHBondContact O-N 3.39Å; A98-M100 VanDerWaalsContact C-N 3.29Å; A98-M100 PolarHBondContact O-N 3.34Å; M100-G102 PolarHBondContact O-N 3Å
101	E	78.8	Confident	81.1	Confident	94 Å²	94	65.9 Å²	65.9	44%	0.439	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.7	174.6	-62	-164.7	146.8	0	0	113.4	H97 A98 K99 R104 W105	H97-E101 IonicContact NE2-OE1 2.85Å; H97-E101 PolarHBondContact O-N 2.96Å; A98-E101 PolarHBondContact O-N 3.44Å; K99-E101 VanDerWaalsContact C-N 3.33Å; E101-R104 IonicContact OE2-NH1 2.71Å; E101-R104 PolarHBondContact OE2-NH1 2.93Å; E101-W105 PolarHBondContact OE2-NE1 3.3Å
102	G	67.8	Low	81.2	Confident	29 Å²	29	64 Å²	64	30%	0.299	32%	0.324	S	S	.	.			trans	95.4	-168.2	-178.6	0	0	0	0	0	114	K99 M100 R104	K99-G102 PolarHBondContact O-N 3.08Å; M100-G102 PolarHBondContact O-N 3Å; G102-R104 PolarHBondContact O-N 3.42Å
103	P	69.6	Low	81	Confident	70 Å²	70	61.7 Å²	61.7	46%	0.455	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	51.4	-172.8	31.8	-36.3	0	0	0	113.5	E238 C242	P103-E238 CarbonylContact O-C 3.2Å; P103-C242 HydrophobicContact CB-CB 3.6Å; P103-C242 WeakPolarHBondContact CB-SG 3.29Å
104	R	71	Confident	80.9	Confident	131 Å²	131	62.3 Å²	62.3	49%	0.494	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-33.8	-179.7	179	179.6	179.6	-167.8	1.3	112.6	E101 G102	E101-R104 IonicContact OE2-NH1 2.71Å; E101-R104 PolarHBondContact OE2-NH1 2.93Å; G102-R104 PolarHBondContact O-N 3.42Å
105	W	75.9	Confident	80.9	Confident	94 Å²	94	60.9 Å²	60.9	36%	0.356	31%	0.311	S	S	.	.			trans	-104.9	135	-167.7	-60.7	95	0	0	0	110.6	F94 A98 E101 F107	F94-W105 HydrophobicContact CZ-CD2 4.41Å; F94-W105 HydrophobicContact CZ-CE3 4.13Å; F94-W105 HydrophobicContact CZ-CH2 4.15Å; F94-W105 HydrophobicContact CZ-CZ2 4.43Å; F94-W105 HydrophobicContact CZ-CZ3 4Å; A98-W105 HydrophobicContact CB-CB 4.21Å; A98-W105 VanDerWaalsContact CB-CD1 3.41Å; A98-W105 HydrophobicContact CB-CD2 4.45Å; A98-W105 HydrophobicContact CB-CG 3.78Å; E101-W105 PolarHBondContact OE2-NE1 3.3Å; W105-F107 HydrophobicContact CB-CD2 4.2Å; W105-F107 HydrophobicContact CB-CE2 3.54Å; W105-F107 HydrophobicContact CB-CZ 3.93Å; W105-F107 HydrophobicContact CG-CE2 4.42Å; W105-F107 HydrophobicContact CG-CZ 4.44Å
106	L	75	Confident	80.9	Confident	59 Å²	59	61 Å²	61	31%	0.309	31%	0.311	S	S	.	.			trans	-105.2	112.9	167	179.4	71.1	0	0	0	108.6	V108 D144 L145 L225	L106-V108 HydrophobicContact CD2-CG2 4.19Å; L106-V108 HydrophobicContact CG-CG2 4.07Å; L106-D144 HydrophobicContact CD1-CB 3.65Å; L106-L145 HydrophobicContact CD1-CD1 4.48Å; L106-L145 HydrophobicContact CD2-CD1 4.49Å; L106-L225 HydrophobicContact CD2-CD2 4.46Å
107	F	81.8	Confident	80.7	Confident	24 Å²	24	57.3 Å²	57.3	11%	0.105	30%	0.3	C	S	.	.			trans	-90.7	118.3	179.6	-72.4	-79.8	0	0	0	111	F94 V95 A98 W105 V143 D144 L145	F94-F107 AromaticContact CD1-CE1 3.61Å; F94-F107 HydrophobicContact CD1-CE1 3.61Å; F94-F107 HydrophobicContact CD1-CZ 4.09Å; F94-F107 AromaticContact CE1-CE1 3.51Å; F94-F107 HydrophobicContact CE1-CE1 3.51Å; F94-F107 AromaticContact CE1-CZ 3.88Å; F94-F107 HydrophobicContact CE1-CZ 3.88Å; V95-F107 HydrophobicContact CB-CE1 4.43Å; V95-F107 HydrophobicContact CB-CZ 4.4Å; V95-F107 HydrophobicContact CG2-CD1 3.74Å; V95-F107 HydrophobicContact CG2-CE1 3.58Å; V95-F107 HydrophobicContact CG2-CG 4.29Å; V95-F107 HydrophobicContact CG2-CZ 4.01Å; A98-F107 HydrophobicContact CB-CE2 3.7Å; A98-F107 HydrophobicContact CB-CZ 3.37Å; W105-F107 HydrophobicContact CB-CD2 4.2Å; W105-F107 HydrophobicContact CB-CE2 3.54Å; W105-F107 HydrophobicContact CB-CZ 3.93Å; W105-F107 HydrophobicContact CG-CE2 4.42Å; W105-F107 HydrophobicContact CG-CZ 4.44Å; F107-V143 HydrophobicContact CB-CB 4.42Å; F107-V143 HydrophobicContact CB-CG1 4.39Å; F107-V143 WeakPolarHBondContact O-CG1 3.33Å; F107-D144 PolarHBondContact N-OD2 2.93Å; F107-D144 WeakPolarHBondContact O-CA 3.43Å; F107-D144 WeakPolarHBondContact O-CB 3.37Å; F107-D144 PolarHBondContact O-N 2.9Å; F107-L145 PolarHBondContact O-N 3.32Å
108	V	80.8	Confident	80.6	Confident	46 Å²	46	56.3 Å²	56.3	28%	0.279	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.1	177.1	-172.4	0	0	0	0	109.5	L106 L145 L147 V221	L106-V108 HydrophobicContact CD2-CG2 4.19Å; L106-V108 HydrophobicContact CG-CG2 4.07Å; V108-L145 CarbonylContact C-O 3.59Å; V108-L145 WeakPolarHBondContact CA-O 3.38Å; V108-L145 HydrophobicContact CB-CB 4.49Å; V108-L145 HydrophobicContact CG1-CB 4.12Å; V108-L145 HydrophobicContact CG2-CB 4.16Å; V108-L145 HydrophobicContact CG2-CD1 4.26Å; V108-L147 HydrophobicContact CG1-CD1 3.5Å; V108-L147 HydrophobicContact CG1-CG 3.82Å; V108-V221 HydrophobicContact CB-CG1 4.31Å; V108-V221 HydrophobicContact CG1-CG1 4.47Å; V108-V221 HydrophobicContact CG1-CG2 3.95Å; V108-V221 HydrophobicContact CG2-CG1 3.86Å
109	A	85.7	Confident	80.7	Confident	15 Å²	15	59.1 Å²	59.1	12%	0.124	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.9	171.6	0	0	0	0	0	109.8	F138 V143 L145 V146 L147	A109-F138 HydrophobicContact CB-CD1 4.11Å; A109-F138 HydrophobicContact CB-CE1 4.29Å; A109-F138 HydrophobicContact CB-CG 4.28Å; A109-V143 HydrophobicContact CB-CG1 3.71Å; A109-V143 HydrophobicContact CB-CG2 4.34Å; A109-L145 PolarHBondContact N-O 2.83Å; A109-V146 CarbonylContact O-C 3.53Å; A109-V146 WeakPolarHBondContact O-CA 3.5Å; A109-L147 PolarHBondContact O-N 2.56Å
110	T	86.3	Confident	81.1	Confident	43 Å²	43	54.1 Å²	54.1	26%	0.264	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125	169.9	50.6	0	0	0	0	109.6	L147 Q214	T110-L147 CarbonylContact C-O 3.55Å; T110-L147 VanDerWaalsContact CA-O 3.27Å; T110-L147 WeakPolarHBondContact CA-O 3.34Å; T110-L147 HydrophobicContact CG2-CB 4.18Å; T110-Q214 PolarHBondContact OG1-OE1 3Å
111	V	86.1	Confident	81.4	Confident	14 Å²	14	52 Å²	52	9%	0.085	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134.1	-179.4	-170.1	0	0	0	0	109.8	K116 I134 F138 V146 L147 S149	V111-K116 HydrophobicContact CG1-CD 4.34Å; V111-K116 HydrophobicContact CG1-CG 3.62Å; V111-I134 HydrophobicContact CG1-CG2 4.1Å; V111-I134 HydrophobicContact CG2-CG2 3.91Å; V111-F138 HydrophobicContact CG2-CD2 4.19Å; V111-F138 HydrophobicContact CG2-CE2 3.81Å; V111-V146 HydrophobicContact CG2-CG1 3.68Å; V111-L147 PolarHBondContact N-O 2.85Å; V111-S149 PolarHBondContact O-N 3.27Å; V111-S149 PolarHBondContact O-OG 2.9Å
112	S	86.2	Confident	81.7	Confident	31 Å²	31	53.9 Å²	53.9	22%	0.217	30%	0.301	C	S	.	.			trans	-81.4	144.5	176.7	85.2	0	0	0	0	112.1	Q114 S115 K116 S149	S112-Q114 PolarHBondContact O-N 2.88Å; S112-Q114 PolarHBondContact OG-OE1 3.2Å; S112-S115 WeakPolarHBondContact O-CB 3.13Å; S112-S115 PolarHBondContact O-N 3.27Å; S112-S115 WeakPolarHBondContact OG-CB 3.47Å; S112-S115 PolarHBondContact OG-N 2.6Å; S112-S115 PolarHBondContact OG-OG 3.4Å; S112-K116 PolarHBondContact O-N 2.93Å; S112-S149 WeakPolarHBondContact CA-OG 3.22Å
113	P	83.5	Confident	82.5	Confident	15 Å²	15	59.6 Å²	59.6	10%	0.097	32%	0.315	C	S	.	.	H	α-helix	trans	-51.6	-34.3	170.2	-32	36.3	0	0	0	113.9	K116 S117 S149 T150	P113-K116 PolarHBondContact O-N 3.29Å; P113-S117 WeakPolarHBondContact O-CB 3.48Å; P113-S117 PolarHBondContact O-N 3.42Å; P113-S149 WeakPolarHBondContact CD-OG 3.44Å; P113-T150 WeakPolarHBondContact CG-OG1 3.14Å
114	Q	84.2	Confident	83.6	Confident	68 Å²	68	64.9 Å²	64.9	32%	0.318	33%	0.333	S	S	.	.	H	α-helix	trans	-69.5	-41.6	177.8	-58.6	90	-23.9	0	0	111.3	S112 K116 S117 S118 G277	S112-Q114 PolarHBondContact O-N 2.88Å; S112-Q114 PolarHBondContact OG-OE1 3.2Å; Q114-K116 VanDerWaalsContact C-N 3.35Å; Q114-S117 PolarHBondContact O-N 3.28Å; Q114-S118 VanDerWaalsContact O-CB 3.28Å; Q114-S118 WeakPolarHBondContact O-CB 3.24Å; Q114-S118 PolarHBondContact O-N 3.23Å; Q114-G277 WeakPolarHBondContact CG-O 3.34Å; Q114-G277 PolarHBondContact NE2-O 3.3Å
115	S	87.4	Confident	84.3	Confident	55 Å²	55	60.5 Å²	60.5	39%	0.385	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-44.9	174.4	-55	0	0	0	0	110.6	S112 S118 I119	S112-S115 WeakPolarHBondContact O-CB 3.13Å; S112-S115 PolarHBondContact O-N 3.27Å; S112-S115 WeakPolarHBondContact OG-CB 3.47Å; S112-S115 PolarHBondContact OG-N 2.6Å; S112-S115 PolarHBondContact OG-OG 3.4Å; S115-S118 PolarHBondContact O-N 3.1Å; S115-I119 WeakPolarHBondContact O-CB 3.47Å; S115-I119 VanDerWaalsContact O-CG1 3.3Å; S115-I119 WeakPolarHBondContact O-CG1 3.48Å; S115-I119 PolarHBondContact O-N 3.24Å
116	K	86.1	Confident	84.7	Confident	3 Å²	3	59.4 Å²	59.4	1%	0.013	33%	0.326	C	S	.	.	H	α-helix	trans	-58.9	-48.7	175.1	-64.1	-161.9	-73.1	-178.5	0	111.5	V111 S112 P113 Q114 S118 I119 A120 M127 E131 I134 D148 Q270	V111-K116 HydrophobicContact CG1-CD 4.34Å; V111-K116 HydrophobicContact CG1-CG 3.62Å; S112-K116 PolarHBondContact O-N 2.93Å; P113-K116 PolarHBondContact O-N 3.29Å; Q114-K116 VanDerWaalsContact C-N 3.35Å; K116-S118 PolarHBondContact O-N 2.93Å; K116-I119 PolarHBondContact O-N 3.26Å; K116-A120 VanDerWaalsContact O-CB 3.24Å; K116-A120 WeakPolarHBondContact O-CB 3.45Å; K116-A120 PolarHBondContact O-N 3Å; K116-M127 HydrophobicContact CB-CE 4.12Å; K116-E131 HydrophobicContact CD-CB 4.06Å; K116-E131 HydrophobicContact CD-CG 4.25Å; K116-E131 IonicContact NZ-OE1 3.55Å; K116-E131 PolarHBondContact NZ-OE1 3.15Å; K116-E131 IonicContact NZ-OE2 3.88Å; K116-E131 PolarHBondContact NZ-OE2 2.88Å; K116-I134 HydrophobicContact CB-CD1 4.26Å; K116-I134 HydrophobicContact CG-CD1 3.94Å; K116-D148 WeakPolarHBondContact CE-OD2 3.46Å; K116-D148 IonicContact NZ-OD2 3.21Å; K116-D148 PolarHBondContact NZ-OD2 2.88Å; K116-Q270 VanDerWaalsContact CE-CD 3.49Å; K116-Q270 VanDerWaalsContact NZ-CD 3.3Å
117	S	84	Confident	85	Confident	52 Å²	52	59.8 Å²	59.8	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-42	178.4	-173.7	0	0	0	0	112.5	P113 Q114 A120 T121	P113-S117 WeakPolarHBondContact O-CB 3.48Å; P113-S117 PolarHBondContact O-N 3.42Å; Q114-S117 PolarHBondContact O-N 3.28Å; S117-A120 PolarHBondContact O-N 3.25Å; S117-T121 WeakPolarHBondContact O-CB 3.27Å; S117-T121 PolarHBondContact O-N 3.18Å; S117-T121 PolarHBondContact O-OG1 3.07Å; S117-T121 VanDerWaalsContact O-OG1 3.07Å
118	S	84.3	Confident	84.9	Confident	79 Å²	79	62.3 Å²	62.3	55%	0.552	34%	0.342	S	S	*	.	H	α-helix	trans	-63.3	-45.2	179.3	-171.9	0	0	0	0	111.4	Q114 S115 K116 H122	Q114-S118 VanDerWaalsContact O-CB 3.28Å; Q114-S118 WeakPolarHBondContact O-CB 3.24Å; Q114-S118 PolarHBondContact O-N 3.23Å; S115-S118 PolarHBondContact O-N 3.1Å; K116-S118 PolarHBondContact O-N 2.93Å; S118-H122 WeakPolarHBondContact O-CB 3.46Å; S118-H122 PolarHBondContact O-N 2.97Å
119	I	83.7	Confident	84.9	Confident	60 Å²	60	67.3 Å²	67.3	31%	0.308	36%	0.356	S	S	.	.	H	α-helix	trans	-67.3	-42.4	177.6	-68.5	170.2	0	0	0	110.3	S115 K116 T121 H122 Y123 I134	S115-I119 WeakPolarHBondContact O-CB 3.47Å; S115-I119 VanDerWaalsContact O-CG1 3.3Å; S115-I119 WeakPolarHBondContact O-CG1 3.48Å; S115-I119 PolarHBondContact O-N 3.24Å; K116-I119 PolarHBondContact O-N 3.26Å; I119-T121 PolarHBondContact O-N 3.19Å; I119-H122 PolarHBondContact O-N 2.82Å; I119-Y123 HydrophobicContact CG2-CD2 3.75Å; I119-Y123 HydrophobicContact CG2-CE2 4.11Å; I119-Y123 WeakPolarHBondContact O-CD2 3.46Å; I119-Y123 PolarHBondContact O-N 2.8Å; I119-I134 HydrophobicContact CB-CD1 4.09Å; I119-I134 HydrophobicContact CD1-CD1 3.68Å; I119-I134 HydrophobicContact CD1-CG1 3.87Å; I119-I134 HydrophobicContact CG1-CD1 4.47Å; I119-I134 HydrophobicContact CG2-CD1 4.04Å; I119-I134 HydrophobicContact CG2-CG1 4.13Å
120	A	83.9	Confident	84.7	Confident	3 Å²	3	66.6 Å²	66.6	3%	0.025	35%	0.35	C	S	.	.	H	α-helix	trans	-58.1	-48.3	177	0	0	0	0	0	111.7	K116 S117 E124 L125 M127 A130	K116-A120 VanDerWaalsContact O-CB 3.24Å; K116-A120 WeakPolarHBondContact O-CB 3.45Å; K116-A120 PolarHBondContact O-N 3Å; S117-A120 PolarHBondContact O-N 3.25Å; A120-E124 CarbonylContact O-C 3.6Å; A120-E124 WeakPolarHBondContact O-CA 3.45Å; A120-E124 PolarHBondContact O-N 2.9Å; A120-L125 PolarHBondContact O-N 2.65Å; A120-M127 HydrophobicContact CB-SD 3.61Å; A120-A130 HydrophobicContact CB-CB 3.47Å; A120-A130 VanDerWaalsContact CB-CB 3.47Å
121	T	86.7	Confident	84.5	Confident	108 Å²	108	65.7 Å²	65.7	66%	0.663	34%	0.343	S	S	*	.	H	α-helix	trans	-65.1	-43.5	177.4	-59.3	0	0	0	0	111.9	S117 I119 Y123 E124	S117-T121 WeakPolarHBondContact O-CB 3.27Å; S117-T121 PolarHBondContact O-N 3.18Å; S117-T121 PolarHBondContact O-OG1 3.07Å; S117-T121 VanDerWaalsContact O-OG1 3.07Å; I119-T121 PolarHBondContact O-N 3.19Å; T121-Y123 PolarHBondContact O-N 3.03Å; T121-E124 PolarHBondContact O-N 2.86Å
122	H	85.1	Confident	84.2	Confident	133 Å²	133	70 Å²	70	62%	0.616	36%	0.358	S	S	*	.	H	α-helix	trans	-64.6	-38.8	-178.3	-179.3	66.1	0	0	0	113.2	S118 I119	S118-H122 WeakPolarHBondContact O-CB 3.46Å; S118-H122 PolarHBondContact O-N 2.97Å; I119-H122 PolarHBondContact O-N 2.82Å
123	Y	86.4	Confident	84	Confident	148 Å²	148	71 Å²	71	58%	0.58	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	10.7	179.1	-69.4	-71.3	0	0	0	113.7	I119 T121 L125	I119-Y123 HydrophobicContact CG2-CD2 3.75Å; I119-Y123 HydrophobicContact CG2-CE2 4.11Å; I119-Y123 WeakPolarHBondContact O-CD2 3.46Å; I119-Y123 PolarHBondContact O-N 2.8Å; T121-Y123 PolarHBondContact O-N 3.03Å; Y123-L125 WeakPolarHBondContact O-CG 3.49Å; Y123-L125 PolarHBondContact O-N 3.3Å; Y123-L125 VanDerWaalsContact O-N 3.17Å
124	E	91.4	Very high	84	Confident	182 Å²	182	70.9 Å²	70.9	85%	0.85	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	37.9	-178.2	-57.6	-178.7	178.6	0	0	113.4	A120 T121	A120-E124 CarbonylContact O-C 3.6Å; A120-E124 WeakPolarHBondContact O-CA 3.45Å; A120-E124 PolarHBondContact O-N 2.9Å; T121-E124 PolarHBondContact O-N 2.86Å
125	L	85.1	Confident	83.9	Confident	38 Å²	38	69 Å²	69	20%	0.199	35%	0.352	C	S	.	.			trans	-97.1	150.5	180	-56.5	178.4	0	0	0	110.7	A120 Y123 R129 A130	A120-L125 PolarHBondContact O-N 2.65Å; Y123-L125 WeakPolarHBondContact O-CG 3.49Å; Y123-L125 PolarHBondContact O-N 3.3Å; Y123-L125 VanDerWaalsContact O-N 3.17Å; L125-R129 HydrophobicContact CB-CB 4.37Å; L125-R129 HydrophobicContact CD2-CG 4.23Å; L125-A130 HydrophobicContact CB-CB 4.17Å; L125-A130 HydrophobicContact CD1-CB 4.41Å
126	S	85.6	Confident	83.5	Confident	72 Å²	72	71.2 Å²	71.2	50%	0.503	36%	0.356	S	S	.	.			trans	-62.2	151.9	161.6	66.9	0	0	0	0	110	D128 R129 A130	S126-D128 PolarHBondContact O-N 3.37Å; S126-R129 PolarHBondContact O-N 2.93Å; S126-R129 VanDerWaalsContact O-N 3.08Å; S126-R129 VanDerWaalsContact OG-CB 3.31Å; S126-R129 WeakPolarHBondContact OG-CB 3.33Å; S126-R129 PolarHBondContact OG-N 3.07Å; S126-A130 WeakPolarHBondContact O-CB 3.42Å; S126-A130 PolarHBondContact O-N 3.2Å
127	M	81.3	Confident	83.4	Confident	67 Å²	67	76.7 Å²	76.7	33%	0.33	38%	0.38	S	S	.	.	H	α-helix	trans	-56.8	-38.4	179.8	-66.2	-62.9	-59.9	0	0	112.8	K116 A120 A130 E131 Q270	K116-M127 HydrophobicContact CB-CE 4.12Å; A120-M127 HydrophobicContact CB-SD 3.61Å; M127-A130 PolarHBondContact O-N 3.5Å; M127-E131 WeakPolarHBondContact O-CB 3.35Å; M127-E131 PolarHBondContact O-N 3Å; M127-Q270 PolarHBondContact O-NE2 2.83Å
128	D	79.1	Confident	83.5	Confident	76 Å²	76	76.2 Å²	76.2	41%	0.406	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-49.8	174.6	175.8	80.8	0	0	0	111.4	S126 A130 E131 R132	S126-D128 PolarHBondContact O-N 3.37Å; D128-A130 PolarHBondContact O-N 3.39Å; D128-E131 PolarHBondContact O-N 3.33Å; D128-R132 WeakPolarHBondContact O-CG 3.34Å; D128-R132 PolarHBondContact O-N 2.75Å; D128-R132 IonicContact OD1-CZ 2.72Å; D128-R132 IonicContact OD1-NE 3.38Å; D128-R132 IonicContact OD1-NH1 3.78Å; D128-R132 IonicContact OD1-NH2 2.65Å; D128-R132 IonicContact OD2-CZ 3.13Å; D128-R132 IonicContact OD2-NE 3.96Å; D128-R132 IonicContact OD2-NH1 2.71Å; D128-R132 PolarHBondContact OD2-NH1 3.47Å; D128-R132 IonicContact OD2-NH2 3.62Å
129	R	80.2	Confident	83.4	Confident	151 Å²	151	74.8 Å²	74.8	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-65.3	-41.5	179.3	-173.4	170.1	-179.5	-168	2.5	111.7	L125 S126 E131 R132 C133	L125-R129 HydrophobicContact CB-CB 4.37Å; L125-R129 HydrophobicContact CD2-CG 4.23Å; S126-R129 PolarHBondContact O-N 2.93Å; S126-R129 VanDerWaalsContact O-N 3.08Å; S126-R129 VanDerWaalsContact OG-CB 3.31Å; S126-R129 WeakPolarHBondContact OG-CB 3.33Å; S126-R129 PolarHBondContact OG-N 3.07Å; R129-E131 VanDerWaalsContact C-N 3.35Å; R129-E131 PolarHBondContact O-N 3.06Å; R129-R132 PolarHBondContact O-N 2.92Å; R129-C133 WeakPolarHBondContact O-CB 3.49Å; R129-C133 PolarHBondContact O-N 2.91Å; R129-C133 PolarHBondContact O-SG 2.92Å
130	A	82.8	Confident	83.3	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-61.4	-43.1	176.6	0	0	0	0	0	111.7	A120 L125 S126 M127 D128 C133 I134	A120-A130 HydrophobicContact CB-CB 3.47Å; A120-A130 VanDerWaalsContact CB-CB 3.47Å; L125-A130 HydrophobicContact CB-CB 4.17Å; L125-A130 HydrophobicContact CD1-CB 4.41Å; S126-A130 WeakPolarHBondContact O-CB 3.42Å; S126-A130 PolarHBondContact O-N 3.2Å; M127-A130 PolarHBondContact O-N 3.5Å; D128-A130 PolarHBondContact O-N 3.39Å; A130-C133 PolarHBondContact O-N 3.48Å; A130-I134 WeakPolarHBondContact O-CB 3.4Å; A130-I134 WeakPolarHBondContact O-CD1 3.33Å; A130-I134 WeakPolarHBondContact O-CG1 3.36Å; A130-I134 PolarHBondContact O-N 3.21Å
131	E	80.8	Confident	83.3	Confident	25 Å²	25	82 Å²	82	12%	0.117	39%	0.386	C	S	.	.	H	α-helix	trans	-59.9	-49.8	175.1	171.1	153.8	-146.6	0	0	112.1	K116 M127 D128 R129 C133 I134 R135 Q270	K116-E131 HydrophobicContact CD-CB 4.06Å; K116-E131 HydrophobicContact CD-CG 4.25Å; K116-E131 IonicContact NZ-OE1 3.55Å; K116-E131 PolarHBondContact NZ-OE1 3.15Å; K116-E131 IonicContact NZ-OE2 3.88Å; K116-E131 PolarHBondContact NZ-OE2 2.88Å; M127-E131 WeakPolarHBondContact O-CB 3.35Å; M127-E131 PolarHBondContact O-N 3Å; D128-E131 PolarHBondContact O-N 3.33Å; R129-E131 VanDerWaalsContact C-N 3.35Å; R129-E131 PolarHBondContact O-N 3.06Å; E131-C133 VanDerWaalsContact C-N 3.33Å; E131-C133 PolarHBondContact O-N 2.92Å; E131-I134 PolarHBondContact O-N 3.11Å; E131-R135 HydrophobicContact CG-CG 4.44Å; E131-R135 WeakPolarHBondContact O-CG 3.4Å; E131-R135 PolarHBondContact O-N 3.46Å; E131-R135 IonicContact OE1-CZ 2.89Å; E131-R135 IonicContact OE1-NE 3.43Å; E131-R135 PolarHBondContact OE1-NE 3.42Å; E131-R135 IonicContact OE1-NH2 2.8Å; E131-R135 PolarHBondContact OE1-NH2 3.06Å; E131-Q270 PolarHBondContact OE2-NE2 2.69Å
132	R	79.7	Confident	83	Confident	105 Å²	105	77.3 Å²	77.3	40%	0.396	36%	0.359	S	S	.	.	H	α-helix	trans	-57.7	-45.8	176.8	-70.4	174	175.3	163.8	-10.4	111.7	D128 R129 I134 R135 Q136 D258	D128-R132 WeakPolarHBondContact O-CG 3.34Å; D128-R132 PolarHBondContact O-N 2.75Å; D128-R132 IonicContact OD1-CZ 2.72Å; D128-R132 IonicContact OD1-NE 3.38Å; D128-R132 IonicContact OD1-NH1 3.78Å; D128-R132 IonicContact OD1-NH2 2.65Å; D128-R132 IonicContact OD2-CZ 3.13Å; D128-R132 IonicContact OD2-NE 3.96Å; D128-R132 IonicContact OD2-NH1 2.71Å; D128-R132 PolarHBondContact OD2-NH1 3.47Å; D128-R132 IonicContact OD2-NH2 3.62Å; R129-R132 PolarHBondContact O-N 2.92Å; R132-I134 PolarHBondContact O-N 3.4Å; R132-R135 PolarHBondContact O-N 3.31Å; R132-Q136 WeakPolarHBondContact O-CB 3.5Å; R132-Q136 WeakPolarHBondContact O-CG 3.46Å; R132-Q136 PolarHBondContact O-N 3.48Å; R132-D258 IonicContact CZ-OD2 2.74Å; R132-D258 IonicContact NE-OD2 3.99Å; R132-D258 PolarHBondContact NE-OD2 3.19Å; R132-D258 IonicContact NH2-OD2 3.69Å; R132-D258 PolarHBondContact NH2-OD2 3.21Å
133	C	82.2	Confident	82.8	Confident	52 Å²	52	71.3 Å²	71.3	35%	0.351	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-41.9	176.6	-70.4	0	0	0	0	112.6	R129 A130 E131 Q136 F137	R129-C133 WeakPolarHBondContact O-CB 3.49Å; R129-C133 PolarHBondContact O-N 2.91Å; R129-C133 PolarHBondContact O-SG 2.92Å; A130-C133 PolarHBondContact O-N 3.48Å; E131-C133 VanDerWaalsContact C-N 3.33Å; E131-C133 PolarHBondContact O-N 2.92Å; C133-Q136 PolarHBondContact O-N 3.43Å; C133-F137 WeakPolarHBondContact O-CB 3.16Å; C133-F137 PolarHBondContact O-N 2.92Å
134	I	85.2	Confident	82.4	Confident	12 Å²	12	65.8 Å²	65.8	6%	0.062	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-44.1	178.1	-69.3	161.5	0	0	0	110.9	V111 K116 I119 A130 E131 R132 Q136 F137 F138	V111-I134 HydrophobicContact CG1-CG2 4.1Å; V111-I134 HydrophobicContact CG2-CG2 3.91Å; K116-I134 HydrophobicContact CB-CD1 4.26Å; K116-I134 HydrophobicContact CG-CD1 3.94Å; I119-I134 HydrophobicContact CB-CD1 4.09Å; I119-I134 HydrophobicContact CD1-CD1 3.68Å; I119-I134 HydrophobicContact CD1-CG1 3.87Å; I119-I134 HydrophobicContact CG1-CD1 4.47Å; I119-I134 HydrophobicContact CG2-CD1 4.04Å; I119-I134 HydrophobicContact CG2-CG1 4.13Å; A130-I134 WeakPolarHBondContact O-CB 3.4Å; A130-I134 WeakPolarHBondContact O-CD1 3.33Å; A130-I134 WeakPolarHBondContact O-CG1 3.36Å; A130-I134 PolarHBondContact O-N 3.21Å; E131-I134 PolarHBondContact O-N 3.11Å; R132-I134 PolarHBondContact O-N 3.4Å; I134-Q136 PolarHBondContact O-N 3.5Å; I134-F137 WeakPolarHBondContact O-CB 3.37Å; I134-F137 PolarHBondContact O-N 3.1Å; I134-F138 HydrophobicContact CG2-CD2 3.68Å; I134-F138 HydrophobicContact CG2-CE2 3.65Å; I134-F138 VanDerWaalsContact O-CD2 3.29Å; I134-F138 WeakPolarHBondContact O-CD2 3.43Å; I134-F138 PolarHBondContact O-N 3.38Å
135	R	80.1	Confident	81.7	Confident	28 Å²	28	58.1 Å²	58.1	11%	0.106	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-48.1	176	-69.4	-175	-176.3	-164	5.9	110.8	E131 R132 F137 F138 K139 V146 D260	E131-R135 HydrophobicContact CG-CG 4.44Å; E131-R135 WeakPolarHBondContact O-CG 3.4Å; E131-R135 PolarHBondContact O-N 3.46Å; E131-R135 IonicContact OE1-CZ 2.89Å; E131-R135 IonicContact OE1-NE 3.43Å; E131-R135 PolarHBondContact OE1-NE 3.42Å; E131-R135 IonicContact OE1-NH2 2.8Å; E131-R135 PolarHBondContact OE1-NH2 3.06Å; R132-R135 PolarHBondContact O-N 3.31Å; R135-F137 VanDerWaalsContact C-N 3.35Å; R135-F137 PolarHBondContact O-N 2.84Å; R135-F138 PolarHBondContact O-N 2.97Å; R135-K139 WeakPolarHBondContact O-CB 3.18Å; R135-K139 WeakPolarHBondContact O-CG 3.36Å; R135-K139 PolarHBondContact O-N 2.8Å; R135-V146 HydrophobicContact CB-CB 4.38Å; R135-V146 HydrophobicContact CB-CG1 4.45Å; R135-V146 HydrophobicContact CG-CB 4Å; R135-V146 HydrophobicContact CG-CG1 3.86Å; R135-D260 IonicContact CZ-OD2 2.71Å; R135-D260 IonicContact NE-OD2 3.88Å; R135-D260 IonicContact NH1-OD2 2.88Å; R135-D260 PolarHBondContact NH1-OD2 3.28Å
136	Q	79.4	Confident	81.4	Confident	101 Å²	101	56.8 Å²	56.8	47%	0.472	27%	0.27	S	S	.	.	H	α-helix	trans	-61.5	-40.5	176.5	-73.8	-179.4	-7.7	0	0	112.7	R132 C133 I134 K139 K140 Q256	R132-Q136 WeakPolarHBondContact O-CB 3.5Å; R132-Q136 WeakPolarHBondContact O-CG 3.46Å; R132-Q136 PolarHBondContact O-N 3.48Å; C133-Q136 PolarHBondContact O-N 3.43Å; I134-Q136 PolarHBondContact O-N 3.5Å; Q136-K139 PolarHBondContact O-N 3.39Å; Q136-K140 VanDerWaalsContact O-CB 3.31Å; Q136-K140 WeakPolarHBondContact O-CB 3.37Å; Q136-K140 PolarHBondContact O-N 3.35Å; Q136-Q256 PolarHBondContact NE2-O 3.26Å
137	F	85	Confident	81.1	Confident	118 Å²	118	53.7 Å²	53.7	52%	0.518	25%	0.248	S	C	.	.	H	α-helix	trans	-58.4	-50.4	175.6	168.2	-100	0	0	0	111.4	C133 I134 R135 K139 K140 I141	C133-F137 WeakPolarHBondContact O-CB 3.16Å; C133-F137 PolarHBondContact O-N 2.92Å; I134-F137 WeakPolarHBondContact O-CB 3.37Å; I134-F137 PolarHBondContact O-N 3.1Å; R135-F137 VanDerWaalsContact C-N 3.35Å; R135-F137 PolarHBondContact O-N 2.84Å; F137-K139 PolarHBondContact O-N 3.4Å; F137-K140 WeakPolarHBondContact O-CB 3.41Å; F137-K140 PolarHBondContact O-N 2.88Å; F137-I141 HydrophobicContact CE2-CG2 4.23Å; F137-I141 HydrophobicContact CZ-CG2 4.23Å; F137-I141 PolarHBondContact O-N 2.97Å; F137-I141 VanDerWaalsContact O-N 3.12Å
138	F	86	Confident	81	Confident	43 Å²	43	50.5 Å²	50.5	19%	0.189	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-40.7	178.8	-82.4	-63.4	0	0	0	112.2	A109 V111 I134 R135 K140 I141 G142 V143 V146	A109-F138 HydrophobicContact CB-CD1 4.11Å; A109-F138 HydrophobicContact CB-CE1 4.29Å; A109-F138 HydrophobicContact CB-CG 4.28Å; V111-F138 HydrophobicContact CG2-CD2 4.19Å; V111-F138 HydrophobicContact CG2-CE2 3.81Å; I134-F138 HydrophobicContact CG2-CD2 3.68Å; I134-F138 HydrophobicContact CG2-CE2 3.65Å; I134-F138 VanDerWaalsContact O-CD2 3.29Å; I134-F138 WeakPolarHBondContact O-CD2 3.43Å; I134-F138 PolarHBondContact O-N 3.38Å; R135-F138 PolarHBondContact O-N 2.97Å; F138-K140 VanDerWaalsContact C-N 3.33Å; F138-K140 PolarHBondContact O-N 3.29Å; F138-I141 HydrophobicContact CD1-CD1 3.78Å; F138-I141 HydrophobicContact CD1-CG1 4.44Å; F138-I141 HydrophobicContact CE1-CD1 4.28Å; F138-I141 WeakPolarHBondContact O-CG1 3.43Å; F138-I141 PolarHBondContact O-N 3.28Å; F138-G142 PolarHBondContact O-N 3.03Å; F138-G142 VanDerWaalsContact O-N 3.14Å; F138-V143 HydrophobicContact CB-CB 3.96Å; F138-V143 HydrophobicContact CB-CG1 4.42Å; F138-V143 HydrophobicContact CB-CG2 4.09Å; F138-V143 HydrophobicContact CD1-CG2 3.82Å; F138-V143 HydrophobicContact CG-CG2 4.39Å; F138-V143 VanDerWaalsContact O-CB 3.31Å; F138-V143 WeakPolarHBondContact O-CB 3.4Å; F138-V143 PolarHBondContact O-N 3.14Å; F138-V146 HydrophobicContact CB-CG2 3.48Å; F138-V146 VanDerWaalsContact CB-CG2 3.48Å; F138-V146 HydrophobicContact CD2-CG1 4.14Å; F138-V146 HydrophobicContact CG-CG2 4.33Å
139	K	81.4	Confident	81.3	Confident	48 Å²	48	47.4 Å²	47.4	21%	0.209	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-42.5	173.7	-69	-85.3	-175.5	164.9	0	111.9	R135 Q136 F137 I141 G142 V143 D144 F252	R135-K139 WeakPolarHBondContact O-CB 3.18Å; R135-K139 WeakPolarHBondContact O-CG 3.36Å; R135-K139 PolarHBondContact O-N 2.8Å; Q136-K139 PolarHBondContact O-N 3.39Å; F137-K139 PolarHBondContact O-N 3.4Å; K139-I141 PolarHBondContact O-N 2.62Å; K139-G142 PolarHBondContact O-N 3.33Å; K139-G142 VanDerWaalsContact O-N 3.07Å; K139-V143 WeakPolarHBondContact CA-O 3.45Å; K139-V143 WeakPolarHBondContact CD-O 3.27Å; K139-D144 WeakPolarHBondContact CE-O 3.22Å; K139-D144 PolarHBondContact NZ-O 2.88Å; K139-F252 PolarHBondContact NZ-O 3.26Å
140	K	81.8	Confident	81.4	Confident	182 Å²	182	40.3 Å²	40.3	79%	0.791	19%	0.19	S	C	*	.	H	α-helix	trans	-61.9	-39.6	178.3	-174.6	178.8	179.4	-178.3	0	112.5	Q136 F137 F138 G142	Q136-K140 VanDerWaalsContact O-CB 3.31Å; Q136-K140 WeakPolarHBondContact O-CB 3.37Å; Q136-K140 PolarHBondContact O-N 3.35Å; F137-K140 WeakPolarHBondContact O-CB 3.41Å; F137-K140 PolarHBondContact O-N 2.88Å; F138-K140 VanDerWaalsContact C-N 3.33Å; F138-K140 PolarHBondContact O-N 3.29Å; K140-G142 VanDerWaalsContact C-N 3.27Å; K140-G142 PolarHBondContact O-N 3.31Å
141	I	84.5	Confident	81.2	Confident	33 Å²	33	43.6 Å²	43.6	17%	0.169	20%	0.204	C	C	.	.	H	α-helix	trans	-73.7	-21.6	176.2	68.4	171.3	0	0	0	112.1	L91 L92 V95 K99 F137 F138 K139 V143	L91-I141 HydrophobicContact CD2-CD1 4.39Å; L92-I141 HydrophobicContact CD2-CB 3.91Å; L92-I141 HydrophobicContact CD2-CD1 4.19Å; L92-I141 HydrophobicContact CD2-CG2 3.89Å; V95-I141 VanDerWaalsContact CG1-O 3.24Å; V95-I141 WeakPolarHBondContact CG1-O 3.28Å; K99-I141 PolarHBondContact NZ-O 2.84Å; F137-I141 HydrophobicContact CE2-CG2 4.23Å; F137-I141 HydrophobicContact CZ-CG2 4.23Å; F137-I141 PolarHBondContact O-N 2.97Å; F137-I141 VanDerWaalsContact O-N 3.12Å; F138-I141 HydrophobicContact CD1-CD1 3.78Å; F138-I141 HydrophobicContact CD1-CG1 4.44Å; F138-I141 HydrophobicContact CE1-CD1 4.28Å; F138-I141 WeakPolarHBondContact O-CG1 3.43Å; F138-I141 PolarHBondContact O-N 3.28Å; K139-I141 PolarHBondContact O-N 2.62Å; I141-V143 HydrophobicContact CD1-CG2 4.2Å; I141-V143 HydrophobicContact CG1-CG2 4.15Å
142	G	79.9	Confident	81.5	Confident	10 Å²	10	42.4 Å²	42.4	10%	0.103	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	121.7	11.7	175.8	0	0	0	0	0	116.2	K99 F138 K139 K140	K99-G142 VanDerWaalsContact CE-CA 3.45Å; F138-G142 PolarHBondContact O-N 3.03Å; F138-G142 VanDerWaalsContact O-N 3.14Å; K139-G142 PolarHBondContact O-N 3.33Å; K139-G142 VanDerWaalsContact O-N 3.07Å; K140-G142 VanDerWaalsContact C-N 3.27Å; K140-G142 PolarHBondContact O-N 3.31Å
143	V	81.9	Confident	81.9	Confident	6 Å²	6	38.4 Å²	38.4	4%	0.036	18%	0.184	C	C	.	.			trans	-72.7	130	172.8	177	0	0	0	0	109.4	F107 A109 F138 K139 I141 L145 V146	F107-V143 HydrophobicContact CB-CB 4.42Å; F107-V143 HydrophobicContact CB-CG1 4.39Å; F107-V143 WeakPolarHBondContact O-CG1 3.33Å; A109-V143 HydrophobicContact CB-CG1 3.71Å; A109-V143 HydrophobicContact CB-CG2 4.34Å; F138-V143 HydrophobicContact CB-CB 3.96Å; F138-V143 HydrophobicContact CB-CG1 4.42Å; F138-V143 HydrophobicContact CB-CG2 4.09Å; F138-V143 HydrophobicContact CD1-CG2 3.82Å; F138-V143 HydrophobicContact CG-CG2 4.39Å; F138-V143 VanDerWaalsContact O-CB 3.31Å; F138-V143 WeakPolarHBondContact O-CB 3.4Å; F138-V143 PolarHBondContact O-N 3.14Å; K139-V143 WeakPolarHBondContact CA-O 3.45Å; K139-V143 WeakPolarHBondContact CD-O 3.27Å; I141-V143 HydrophobicContact CD1-CG2 4.2Å; I141-V143 HydrophobicContact CG1-CG2 4.15Å; V143-L145 VanDerWaalsContact CG1-O 3.24Å; V143-L145 WeakPolarHBondContact CG1-O 3.29Å; V143-V146 HydrophobicContact CG1-CG2 4.05Å
144	D	77.1	Confident	82.2	Confident	32 Å²	32	38 Å²	38	17%	0.171	18%	0.178	C	C	.	.	S	Bend	trans	-78.1	-41.9	-179.5	-58.9	-71.3	0	0	0	112.1	L106 F107 K139 F252	L106-D144 HydrophobicContact CD1-CB 3.65Å; F107-D144 PolarHBondContact N-OD2 2.93Å; F107-D144 WeakPolarHBondContact O-CA 3.43Å; F107-D144 WeakPolarHBondContact O-CB 3.37Å; F107-D144 PolarHBondContact O-N 2.9Å; K139-D144 WeakPolarHBondContact CE-O 3.22Å; K139-D144 PolarHBondContact NZ-O 2.88Å; D144-F252 HydrophobicContact CB-CE1 4.1Å; D144-F252 WeakPolarHBondContact O-CE1 3.29Å; D144-F252 WeakPolarHBondContact O-CZ 3.42Å
145	L	75.9	Confident	82.3	Confident	22 Å²	22	40.5 Å²	40.5	12%	0.115	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130	-177.8	-68.5	170.6	0	0	0	111.5	L106 F107 V108 A109 V143 L147 L225 F252	L106-L145 HydrophobicContact CD1-CD1 4.48Å; L106-L145 HydrophobicContact CD2-CD1 4.49Å; F107-L145 PolarHBondContact O-N 3.32Å; V108-L145 CarbonylContact C-O 3.59Å; V108-L145 WeakPolarHBondContact CA-O 3.38Å; V108-L145 HydrophobicContact CB-CB 4.49Å; V108-L145 HydrophobicContact CG1-CB 4.12Å; V108-L145 HydrophobicContact CG2-CB 4.16Å; V108-L145 HydrophobicContact CG2-CD1 4.26Å; A109-L145 PolarHBondContact N-O 2.83Å; V143-L145 VanDerWaalsContact CG1-O 3.24Å; V143-L145 WeakPolarHBondContact CG1-O 3.29Å; L145-L147 HydrophobicContact CB-CD2 4.24Å; L145-L225 HydrophobicContact CD1-CD2 3.57Å; L145-F252 HydrophobicContact CD2-CE2 3.81Å; L145-F252 HydrophobicContact CD2-CZ 3.49Å; L145-F252 VanDerWaalsContact CD2-CZ 3.49Å; L145-F252 HydrophobicContact CG-CZ 4.06Å
146	V	79.6	Confident	82.9	Confident	9 Å²	9	39.2 Å²	39.2	6%	0.055	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	108.6	177.7	-171.9	0	0	0	0	108.2	A109 V111 R135 F138 V143	A109-V146 CarbonylContact O-C 3.53Å; A109-V146 WeakPolarHBondContact O-CA 3.5Å; V111-V146 HydrophobicContact CG2-CG1 3.68Å; R135-V146 HydrophobicContact CB-CB 4.38Å; R135-V146 HydrophobicContact CB-CG1 4.45Å; R135-V146 HydrophobicContact CG-CB 4Å; R135-V146 HydrophobicContact CG-CG1 3.86Å; F138-V146 HydrophobicContact CB-CG2 3.48Å; F138-V146 VanDerWaalsContact CB-CG2 3.48Å; F138-V146 HydrophobicContact CD2-CG1 4.14Å; F138-V146 HydrophobicContact CG-CG2 4.33Å; V143-V146 HydrophobicContact CG1-CG2 4.05Å
147	L	78.3	Confident	83.5	Confident	7 Å²	7	34.5 Å²	34.5	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.2	-171.5	-50.2	-177.4	0	0	0	110.7	V108 A109 T110 V111 L145 V221 F266	V108-L147 HydrophobicContact CG1-CD1 3.5Å; V108-L147 HydrophobicContact CG1-CG 3.82Å; A109-L147 PolarHBondContact O-N 2.56Å; T110-L147 CarbonylContact C-O 3.55Å; T110-L147 VanDerWaalsContact CA-O 3.27Å; T110-L147 WeakPolarHBondContact CA-O 3.34Å; T110-L147 HydrophobicContact CG2-CB 4.18Å; V111-L147 PolarHBondContact N-O 2.85Å; L145-L147 HydrophobicContact CB-CD2 4.24Å; L147-V221 HydrophobicContact CD1-CG2 3.81Å; L147-F266 HydrophobicContact CB-CB 4.46Å; L147-F266 HydrophobicContact CB-CD1 4Å; L147-F266 HydrophobicContact CB-CD2 4.31Å; L147-F266 HydrophobicContact CB-CE1 4.27Å; L147-F266 HydrophobicContact CB-CG 3.99Å; L147-F266 HydrophobicContact CD1-CD2 4.34Å; L147-F266 HydrophobicContact CD1-CE1 4.28Å; L147-F266 HydrophobicContact CD1-CE2 3.86Å; L147-F266 HydrophobicContact CD1-CZ 3.82Å; L147-F266 HydrophobicContact CD2-CD2 3.63Å; L147-F266 HydrophobicContact CD2-CE2 3.9Å; L147-F266 HydrophobicContact CD2-CG 4.1Å; L147-F266 HydrophobicContact CG-CD2 4.3Å; L147-F266 HydrophobicContact CG-CE2 4.32Å; L147-F266 HydrophobicContact CG-CG 4.48Å
148	D	79.8	Confident	83.9	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.6	167.8	-167.8	-33.5	0	0	0	110.7	K116 T150 F266	K116-D148 WeakPolarHBondContact CE-OD2 3.46Å; K116-D148 IonicContact NZ-OD2 3.21Å; K116-D148 PolarHBondContact NZ-OD2 2.88Å; D148-T150 VanDerWaalsContact CG-OG1 3.31Å; D148-T150 PolarHBondContact O-N 3.05Å; D148-T150 WeakPolarHBondContact OD1-CA 3.4Å; D148-T150 WeakPolarHBondContact OD1-CB 2.71Å; D148-T150 PolarHBondContact OD1-N 3.36Å; D148-T150 PolarHBondContact OD1-OG1 2.47Å; D148-T150 PolarHBondContact OD2-OG1 3.15Å; D148-F266 HydrophobicContact CB-CB 4.36Å; D148-F266 VanDerWaalsContact CB-O 3.28Å; D148-F266 WeakPolarHBondContact CB-O 3.38Å; D148-F266 VanDerWaalsContact O-CD1 3.24Å; D148-F266 WeakPolarHBondContact O-CD1 3.39Å
149	S	84.7	Confident	84.4	Confident	11 Å²	11	32 Å²	32	8%	0.077	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.5	175.6	66.3	0	0	0	0	114.8	V111 S112 P113 F151 A152 R153	V111-S149 PolarHBondContact O-N 3.27Å; V111-S149 PolarHBondContact O-OG 2.9Å; S112-S149 WeakPolarHBondContact CA-OG 3.22Å; P113-S149 WeakPolarHBondContact CD-OG 3.44Å; S149-F151 VanDerWaalsContact C-N 3.29Å; S149-F151 PolarHBondContact O-N 2.89Å; S149-A152 PolarHBondContact O-N 3.5Å; S149-A152 VanDerWaalsContact O-N 3.15Å; S149-R153 VanDerWaalsContact O-CG 3.29Å; S149-R153 WeakPolarHBondContact O-CG 3.06Å; S149-R153 PolarHBondContact O-N 2.87Å
150	T	82.4	Confident	85.1	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-54.5	-42.3	-176.9	-61.1	0	0	0	0	112.4	P113 D148 A152 R153 N154 Y271	P113-T150 WeakPolarHBondContact CG-OG1 3.14Å; D148-T150 VanDerWaalsContact CG-OG1 3.31Å; D148-T150 PolarHBondContact O-N 3.05Å; D148-T150 WeakPolarHBondContact OD1-CA 3.4Å; D148-T150 WeakPolarHBondContact OD1-CB 2.71Å; D148-T150 PolarHBondContact OD1-N 3.36Å; D148-T150 PolarHBondContact OD1-OG1 2.47Å; D148-T150 PolarHBondContact OD2-OG1 3.15Å; T150-A152 PolarHBondContact O-N 3.45Å; T150-R153 WeakPolarHBondContact O-CB 3.34Å; T150-R153 PolarHBondContact O-N 3.35Å; T150-N154 PolarHBondContact O-N 3.03Å; T150-N154 PolarHBondContact O-ND2 2.86Å; T150-Y271 HydrophobicContact CG2-CE1 3.88Å
151	F	80.4	Confident	85.8	Confident	69 Å²	69	21.2 Å²	21.2	30%	0.303	12%	0.116	S	C	.	.	H	α-helix	trans	-59.3	-50.9	177.6	-178.4	-104.6	0	0	0	111.7	S149 R153 N154 L155 I220 P265 F266	S149-F151 VanDerWaalsContact C-N 3.29Å; S149-F151 PolarHBondContact O-N 2.89Å; F151-R153 VanDerWaalsContact C-N 3.27Å; F151-R153 PolarHBondContact O-N 3.34Å; F151-N154 PolarHBondContact O-N 3.13Å; F151-L155 HydrophobicContact CD1-CD1 4.1Å; F151-L155 HydrophobicContact CE1-CD1 3.54Å; F151-L155 HydrophobicContact CE1-CG 4.32Å; F151-L155 HydrophobicContact CZ-CD1 3.93Å; F151-L155 HydrophobicContact CZ-CG 4.39Å; F151-L155 PolarHBondContact O-N 3.26Å; F151-L155 VanDerWaalsContact O-N 3.13Å; F151-I220 HydrophobicContact CD1-CD1 3.83Å; F151-I220 HydrophobicContact CE1-CD1 3.71Å; F151-P265 HydrophobicContact CD1-CB 4.43Å; F151-P265 HydrophobicContact CD2-CB 4.03Å; F151-P265 HydrophobicContact CE1-CB 4.48Å; F151-P265 HydrophobicContact CE2-CB 4.1Å; F151-P265 HydrophobicContact CG-CB 4.2Å; F151-P265 HydrophobicContact CZ-CB 4.33Å; F151-F266 HydrophobicContact CB-CD1 4.11Å; F151-F266 HydrophobicContact CB-CE1 4.2Å; F151-F266 HydrophobicContact CD1-CE1 4.25Å
152	A	86.1	Confident	86.4	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66	-30.4	178	0	0	0	0	0	112.7	S149 T150 S156 P213 I216 S217	S149-A152 PolarHBondContact O-N 3.5Å; S149-A152 VanDerWaalsContact O-N 3.15Å; T150-A152 PolarHBondContact O-N 3.45Å; A152-S156 WeakPolarHBondContact O-CB 3.34Å; A152-S156 PolarHBondContact O-N 2.64Å; A152-P213 HydrophobicContact CB-CB 4.46Å; A152-P213 WeakPolarHBondContact CB-O 3.11Å; A152-I216 HydrophobicContact CB-CB 4.06Å; A152-I216 HydrophobicContact CB-CG2 3.78Å; A152-S217 WeakPolarHBondContact CB-OG 3.14Å
153	R	88.1	Confident	87.2	Confident	20 Å²	20	24.1 Å²	24.1	8%	0.075	13%	0.128	C	C	.	.	H	α-helix	trans	-64.1	-44.8	172.1	-69.7	168.7	62.9	148.6	-5.5	112	S149 T150 F151 L155 S156 L157 P213 H273	S149-R153 VanDerWaalsContact O-CG 3.29Å; S149-R153 WeakPolarHBondContact O-CG 3.06Å; S149-R153 PolarHBondContact O-N 2.87Å; T150-R153 WeakPolarHBondContact O-CB 3.34Å; T150-R153 PolarHBondContact O-N 3.35Å; F151-R153 VanDerWaalsContact C-N 3.27Å; F151-R153 PolarHBondContact O-N 3.34Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-L155 PolarHBondContact O-N 2.78Å; R153-S156 WeakPolarHBondContact O-CB 3.43Å; R153-S156 PolarHBondContact O-N 2.65Å; R153-L157 WeakPolarHBondContact O-CG 3.41Å; R153-L157 PolarHBondContact O-N 3.42Å; R153-P213 HydrophobicContact CB-CB 4.45Å; R153-P213 HydrophobicContact CB-CG 4.31Å; R153-P213 HydrophobicContact CG-CB 3.6Å; R153-P213 HydrophobicContact CG-CG 3.63Å; R153-H273 PolarHBondContact NH2-ND1 2.88Å; R153-H273 VanDerWaalsContact NH2-ND1 3.15Å
154	N	88	Confident	87.9	Confident	44 Å²	44	24.5 Å²	24.5	24%	0.235	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-43.7	177.5	-69.1	-20.8	0	0	0	111.5	T150 F151 S156 L157 I158 Y271 H273	T150-N154 PolarHBondContact O-N 3.03Å; T150-N154 PolarHBondContact O-ND2 2.86Å; F151-N154 PolarHBondContact O-N 3.13Å; N154-S156 VanDerWaalsContact C-N 3.33Å; N154-S156 PolarHBondContact O-N 3.48Å; N154-L157 PolarHBondContact O-N 2.97Å; N154-I158 VanDerWaalsContact O-CG1 3.3Å; N154-I158 WeakPolarHBondContact O-CG1 3.15Å; N154-I158 PolarHBondContact O-N 3.29Å; N154-Y271 PolarHBondContact ND2-OH 3.02Å; N154-Y271 PolarHBondContact OD1-OH 3.09Å; N154-H273 PolarHBondContact OD1-NE2 3.06Å
155	L	88.5	Confident	88.9	Confident	64 Å²	64	23.4 Å²	23.4	34%	0.335	12%	0.123	S	C	.	.	H	α-helix	trans	-61.7	-40.9	175.3	-66.8	179.9	0	0	0	112.2	F151 R153 I158 A159 I216 I220	F151-L155 HydrophobicContact CD1-CD1 4.1Å; F151-L155 HydrophobicContact CE1-CD1 3.54Å; F151-L155 HydrophobicContact CE1-CG 4.32Å; F151-L155 HydrophobicContact CZ-CD1 3.93Å; F151-L155 HydrophobicContact CZ-CG 4.39Å; F151-L155 PolarHBondContact O-N 3.26Å; F151-L155 VanDerWaalsContact O-N 3.13Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-L155 PolarHBondContact O-N 2.78Å; L155-I158 PolarHBondContact O-N 2.7Å; L155-A159 VanDerWaalsContact O-CB 3.27Å; L155-A159 WeakPolarHBondContact O-CB 3.17Å; L155-A159 PolarHBondContact O-N 2.92Å; L155-I216 HydrophobicContact CB-CD1 4.05Å; L155-I216 HydrophobicContact CB-CG2 4.17Å; L155-I216 HydrophobicContact CD1-CG2 3.87Å; L155-I220 HydrophobicContact CD1-CD1 4.01Å
156	S	92.4	Very high	89.7	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.014	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-43.1	176.1	-166.1	0	0	0	0	111.7	A152 R153 N154 A159 T160 R211 Y281	A152-S156 WeakPolarHBondContact O-CB 3.34Å; A152-S156 PolarHBondContact O-N 2.64Å; R153-S156 WeakPolarHBondContact O-CB 3.43Å; R153-S156 PolarHBondContact O-N 2.65Å; N154-S156 VanDerWaalsContact C-N 3.33Å; N154-S156 PolarHBondContact O-N 3.48Å; S156-A159 PolarHBondContact O-N 3.13Å; S156-T160 WeakPolarHBondContact O-CB 3.27Å; S156-T160 PolarHBondContact O-N 3.4Å; S156-T160 PolarHBondContact O-OG1 3.07Å; S156-R211 WeakPolarHBondContact CB-O 3.45Å; S156-R211 PolarHBondContact OG-O 3.48Å; S156-Y281 PolarHBondContact OG-OH 2.65Å; S156-Y281 VanDerWaalsContact OG-OH 3.07Å
157	L	92.5	Very high	90.4	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-47.4	176.1	-71.3	177.2	0	0	0	112.5	R153 N154 T160 G161 H273 Y281 F284	R153-L157 WeakPolarHBondContact O-CG 3.41Å; R153-L157 PolarHBondContact O-N 3.42Å; N154-L157 PolarHBondContact O-N 2.97Å; L157-T160 PolarHBondContact O-N 3.47Å; L157-G161 PolarHBondContact O-N 3.29Å; L157-H273 WeakPolarHBondContact CD1-CD2 3.43Å; L157-Y281 HydrophobicContact CD2-CD1 3.69Å; L157-Y281 HydrophobicContact CD2-CD2 3.81Å; L157-Y281 HydrophobicContact CD2-CE1 3.98Å; L157-Y281 HydrophobicContact CD2-CE2 4.06Å; L157-Y281 HydrophobicContact CD2-CG 3.61Å; L157-F284 VanDerWaalsContact C-CE1 3.47Å; L157-F284 HydrophobicContact CB-CD1 3.77Å; L157-F284 HydrophobicContact CB-CD2 4.31Å; L157-F284 HydrophobicContact CB-CE1 4.04Å; L157-F284 HydrophobicContact CB-CG 3.92Å; L157-F284 HydrophobicContact CB-CZ 4.42Å; L157-F284 HydrophobicContact CD1-CB 4.32Å; L157-F284 HydrophobicContact CD1-CD2 4.36Å; L157-F284 HydrophobicContact CD1-CG 4.28Å; L157-F284 HydrophobicContact CD2-CB 4.16Å; L157-F284 HydrophobicContact CD2-CG 4.46Å; L157-F284 HydrophobicContact CG-CG 4.47Å; L157-F284 WeakPolarHBondContact O-CD1 3.39Å; L157-F284 VanDerWaalsContact O-CE1 3.26Å; L157-F284 WeakPolarHBondContact O-CE1 3.4Å
158	I	93.2	Very high	91	Very high	72 Å²	72	29.3 Å²	29.3	37%	0.369	15%	0.148	S	C	.	.	H	α-helix	trans	-59.8	-49.4	177.1	-67.9	164	0	0	0	110.1	N154 L155 T160 G161 M162 F284	N154-I158 VanDerWaalsContact O-CG1 3.3Å; N154-I158 WeakPolarHBondContact O-CG1 3.15Å; N154-I158 PolarHBondContact O-N 3.29Å; L155-I158 PolarHBondContact O-N 2.7Å; I158-T160 VanDerWaalsContact C-N 3.29Å; I158-T160 PolarHBondContact O-N 3.28Å; I158-G161 PolarHBondContact O-N 2.98Å; I158-G161 VanDerWaalsContact O-N 3.15Å; I158-M162 HydrophobicContact CG2-CG 4.37Å; I158-M162 HydrophobicContact CG2-SD 3.85Å; I158-M162 WeakPolarHBondContact O-CG 3.38Å; I158-M162 PolarHBondContact O-N 3.24Å; I158-F284 HydrophobicContact CG1-CE1 4.39Å; I158-F284 HydrophobicContact CG1-CZ 3.8Å
159	A	95.7	Very high	91.6	Very high	37 Å²	37	34.5 Å²	34.5	31%	0.306	17%	0.17	S	C	.	.	H	α-helix	trans	-59.8	-40.1	178.2	0	0	0	0	0	112.2	L155 S156 E163 A210	L155-A159 VanDerWaalsContact O-CB 3.27Å; L155-A159 WeakPolarHBondContact O-CB 3.17Å; L155-A159 PolarHBondContact O-N 2.92Å; S156-A159 PolarHBondContact O-N 3.13Å; A159-E163 WeakPolarHBondContact O-CB 3.11Å; A159-E163 PolarHBondContact O-N 3.15Å; A159-A210 HydrophobicContact CB-CB 4.04Å
160	T	96	Very high	91.9	Very high	2 Å²	2	36 Å²	36	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-40.3	176.5	-52	0	0	0	0	111.5	S156 L157 I158 F164 M183 C185 A210 Y281 V285	S156-T160 WeakPolarHBondContact O-CB 3.27Å; S156-T160 PolarHBondContact O-N 3.4Å; S156-T160 PolarHBondContact O-OG1 3.07Å; L157-T160 PolarHBondContact O-N 3.47Å; I158-T160 VanDerWaalsContact C-N 3.29Å; I158-T160 PolarHBondContact O-N 3.28Å; T160-F164 WeakPolarHBondContact O-CB 3.28Å; T160-F164 PolarHBondContact O-N 3.03Å; T160-M183 HydrophobicContact CG2-CE 3.71Å; T160-C185 HydrophobicContact CG2-CB 4.45Å; T160-A210 WeakPolarHBondContact OG1-CB 3.34Å; T160-Y281 HydrophobicContact CG2-CD1 4.33Å; T160-V285 HydrophobicContact CG2-CG2 3.69Å
161	G	96.9	Very high	92.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-46.7	175.9	0	0	0	0	0	112.4	L157 I158 F164 V165 Y288	L157-G161 PolarHBondContact O-N 3.29Å; I158-G161 PolarHBondContact O-N 2.98Å; I158-G161 VanDerWaalsContact O-N 3.15Å; G161-F164 PolarHBondContact O-N 2.81Å; G161-V165 WeakPolarHBondContact O-CG2 3.37Å; G161-V165 PolarHBondContact O-N 3.38Å; G161-V165 VanDerWaalsContact O-N 3.07Å; G161-Y288 VanDerWaalsContact C-CE1 3.44Å
162	M	97.7	Very high	92.3	Very high	86 Å²	86	43.5 Å²	43.5	42%	0.424	21%	0.214	S	C	.	.	H	α-helix	trans	-59.2	-48.5	175.1	-69.4	173.4	67.2	0	0	111.1	I158 F164 V165 E166 Y288	I158-M162 HydrophobicContact CG2-CG 4.37Å; I158-M162 HydrophobicContact CG2-SD 3.85Å; I158-M162 WeakPolarHBondContact O-CG 3.38Å; I158-M162 PolarHBondContact O-N 3.24Å; M162-F164 VanDerWaalsContact C-N 3.32Å; M162-F164 PolarHBondContact O-N 3Å; M162-V165 PolarHBondContact O-N 3.07Å; M162-E166 WeakPolarHBondContact O-CG 3.38Å; M162-E166 PolarHBondContact O-N 2.66Å; M162-Y288 HydrophobicContact CG-CE1 4.43Å
163	E	96.5	Very high	92.3	Very high	19 Å²	19	47.8 Å²	47.8	9%	0.089	25%	0.25	C	C	.	.	H	α-helix	trans	-58.4	-43.7	177.4	-179.6	179.9	-168.5	0	0	111.8	A159 V165 E166 R167 M183 S208 K209 A210	A159-E163 WeakPolarHBondContact O-CB 3.11Å; A159-E163 PolarHBondContact O-N 3.15Å; E163-V165 PolarHBondContact O-N 2.79Å; E163-E166 PolarHBondContact O-N 2.85Å; E163-R167 HydrophobicContact CG-CG 4.34Å; E163-R167 WeakPolarHBondContact O-CB 3.34Å; E163-R167 VanDerWaalsContact O-CG 3.32Å; E163-R167 WeakPolarHBondContact O-CG 3.34Å; E163-R167 PolarHBondContact O-N 2.8Å; E163-R167 IonicContact OE1-CZ 3.24Å; E163-R167 VanDerWaalsContact OE1-CZ 3.24Å; E163-R167 IonicContact OE1-NE 3.03Å; E163-R167 PolarHBondContact OE1-NE 2.99Å; E163-R167 IonicContact OE1-NH2 2.65Å; E163-R167 PolarHBondContact OE1-NH2 3.45Å; E163-M183 HydrophobicContact CG-SD 4.01Å; E163-S208 WeakPolarHBondContact OE2-CA 3.46Å; E163-S208 WeakPolarHBondContact OE2-CB 3.03Å; E163-S208 PolarHBondContact OE2-OG 2.92Å; E163-K209 VanDerWaalsContact CD-N 3.26Å; E163-K209 PolarHBondContact OE1-N 3.26Å; E163-K209 PolarHBondContact OE2-N 3.18Å; E163-A210 PolarHBondContact OE2-N 3.2Å; E163-A210 VanDerWaalsContact OE2-N 3.14Å
164	F	96.5	Very high	91.6	Very high	14 Å²	14	48.7 Å²	48.7	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-48	177.3	-178.8	-88.2	0	0	0	111.5	T160 G161 M162 E166 R167 Y168 F181 M183 V285 A289 L293 L324 M326	T160-F164 WeakPolarHBondContact O-CB 3.28Å; T160-F164 PolarHBondContact O-N 3.03Å; G161-F164 PolarHBondContact O-N 2.81Å; M162-F164 VanDerWaalsContact C-N 3.32Å; M162-F164 PolarHBondContact O-N 3Å; F164-E166 PolarHBondContact O-N 2.9Å; F164-R167 PolarHBondContact O-N 2.91Å; F164-Y168 HydrophobicContact CE1-CD2 4.24Å; F164-Y168 HydrophobicContact CZ-CD2 4.28Å; F164-Y168 VanDerWaalsContact O-CB 3.29Å; F164-Y168 WeakPolarHBondContact O-CB 3.36Å; F164-Y168 PolarHBondContact O-N 3.23Å; F164-F181 HydrophobicContact CD2-CE1 4.08Å; F164-F181 AromaticContact CE2-CE1 3.55Å; F164-F181 HydrophobicContact CE2-CE1 3.55Å; F164-F181 HydrophobicContact CE2-CZ 4.25Å; F164-F181 HydrophobicContact CZ-CE1 4.02Å; F164-F181 HydrophobicContact CZ-CZ 4.42Å; F164-M183 HydrophobicContact CB-CE 3.8Å; F164-M183 HydrophobicContact CB-SD 4.11Å; F164-M183 HydrophobicContact CD2-CB 4.48Å; F164-M183 HydrophobicContact CD2-CE 3.98Å; F164-M183 HydrophobicContact CD2-SD 4.33Å; F164-M183 HydrophobicContact CG-CE 4.4Å; F164-V285 HydrophobicContact CB-CG1 3.71Å; F164-V285 HydrophobicContact CD1-CG1 4.36Å; F164-V285 HydrophobicContact CD2-CG1 4.13Å; F164-V285 HydrophobicContact CG-CG1 3.8Å; F164-A289 HydrophobicContact CD1-CB 3.6Å; F164-A289 HydrophobicContact CE1-CB 3.58Å; F164-L293 HydrophobicContact CE1-CD1 4.1Å; F164-L324 HydrophobicContact CE1-CD2 3.9Å; F164-L324 HydrophobicContact CZ-CD2 3.93Å; F164-M326 HydrophobicContact CD1-CE 3.99Å; F164-M326 HydrophobicContact CD2-CE 3.93Å; F164-M326 HydrophobicContact CE1-CE 3.58Å; F164-M326 HydrophobicContact CE2-CE 3.47Å; F164-M326 VanDerWaalsContact CE2-CE 3.47Å; F164-M326 HydrophobicContact CG-CE 4.17Å; F164-M326 HydrophobicContact CZ-CE 3.3Å
165	V	96.7	Very high	90.4	Very high	8 Å²	8	52.9 Å²	52.9	5%	0.048	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-42.8	-179.7	168.5	0	0	0	0	111	G161 M162 E163 Y168 K169 Y288 E292 L293	G161-V165 WeakPolarHBondContact O-CG2 3.37Å; G161-V165 PolarHBondContact O-N 3.38Å; G161-V165 VanDerWaalsContact O-N 3.07Å; M162-V165 PolarHBondContact O-N 3.07Å; E163-V165 PolarHBondContact O-N 2.79Å; V165-Y168 PolarHBondContact O-N 2.9Å; V165-K169 HydrophobicContact CG1-CD 4.04Å; V165-K169 WeakPolarHBondContact O-CB 3.35Å; V165-K169 WeakPolarHBondContact O-CG 3.39Å; V165-K169 PolarHBondContact O-N 3.46Å; V165-Y288 HydrophobicContact CG2-CD1 3.89Å; V165-Y288 HydrophobicContact CG2-CE1 3.8Å; V165-E292 HydrophobicContact CG1-CB 4.26Å; V165-E292 HydrophobicContact CG2-CB 3.86Å; V165-E292 HydrophobicContact CG2-CG 4.42Å; V165-L293 HydrophobicContact CB-CD2 4.5Å; V165-L293 HydrophobicContact CG1-CD2 3.87Å; V165-L293 HydrophobicContact CG1-CG 4.41Å; V165-L293 HydrophobicContact CG2-CD1 4.44Å; V165-L293 HydrophobicContact CG2-CG 4.22Å
166	E	94.6	Very high	89	Confident	125 Å²	125	54.3 Å²	54.3	58%	0.584	31%	0.307	S	S	*	.	H	α-helix	trans	-61.6	-49.6	175.6	-73.6	174.7	-173.5	0	0	111.7	M162 E163 F164 Y168 K169 A170	M162-E166 WeakPolarHBondContact O-CG 3.38Å; M162-E166 PolarHBondContact O-N 2.66Å; E163-E166 PolarHBondContact O-N 2.85Å; F164-E166 PolarHBondContact O-N 2.9Å; E166-Y168 VanDerWaalsContact C-N 3.28Å; E166-Y168 PolarHBondContact O-N 3.07Å; E166-K169 PolarHBondContact O-N 2.67Å; E166-A170 WeakPolarHBondContact O-CB 3.15Å; E166-A170 PolarHBondContact O-N 3.39Å
167	R	92.7	Very high	87.5	Confident	20 Å²	20	55 Å²	55	8%	0.075	31%	0.312	C	S	.	.	H	α-helix	trans	-58.6	-41.8	175.6	-72.4	-175.8	-174.8	-134.6	5.1	111	E163 F164 W171 L180 F181 P205 I207	E163-R167 HydrophobicContact CG-CG 4.34Å; E163-R167 WeakPolarHBondContact O-CB 3.34Å; E163-R167 VanDerWaalsContact O-CG 3.32Å; E163-R167 WeakPolarHBondContact O-CG 3.34Å; E163-R167 PolarHBondContact O-N 2.8Å; E163-R167 IonicContact OE1-CZ 3.24Å; E163-R167 VanDerWaalsContact OE1-CZ 3.24Å; E163-R167 IonicContact OE1-NE 3.03Å; E163-R167 PolarHBondContact OE1-NE 2.99Å; E163-R167 IonicContact OE1-NH2 2.65Å; E163-R167 PolarHBondContact OE1-NH2 3.45Å; F164-R167 PolarHBondContact O-N 2.91Å; R167-W171 VanDerWaalsContact O-CB 3.26Å; R167-W171 WeakPolarHBondContact O-CB 3.34Å; R167-W171 PolarHBondContact O-N 2.93Å; R167-L180 HydrophobicContact CG-CD2 4.45Å; R167-F181 HydrophobicContact CB-CE2 4.08Å; R167-F181 HydrophobicContact CB-CZ 3.94Å; R167-F181 WeakPolarHBondContact O-CE2 3.48Å; R167-P205 PolarHBondContact NH1-O 3.36Å; R167-I207 PolarHBondContact NH2-O 2.89Å
168	Y	92.4	Very high	86.1	Confident	18 Å²	18	58.4 Å²	58.4	7%	0.071	33%	0.327	C	S	.	.	H	α-helix	trans	-64.7	-47.9	-179.9	-167.8	-87.4	0	0	0	112.4	F164 V165 E166 W171 Q172 F181 L293 F294 V323 L324	F164-Y168 HydrophobicContact CE1-CD2 4.24Å; F164-Y168 HydrophobicContact CZ-CD2 4.28Å; F164-Y168 VanDerWaalsContact O-CB 3.29Å; F164-Y168 WeakPolarHBondContact O-CB 3.36Å; F164-Y168 PolarHBondContact O-N 3.23Å; V165-Y168 PolarHBondContact O-N 2.9Å; E166-Y168 VanDerWaalsContact C-N 3.28Å; E166-Y168 PolarHBondContact O-N 3.07Å; Y168-W171 HydrophobicContact CE2-CE3 4.35Å; Y168-W171 HydrophobicContact CE2-CZ3 4.25Å; Y168-W171 PolarHBondContact O-N 3.28Å; Y168-Q172 HydrophobicContact CD1-CG 4.2Å; Y168-Q172 VanDerWaalsContact CE1-CD 3.5Å; Y168-Q172 HydrophobicContact CE1-CG 3.89Å; Y168-Q172 PolarHBondContact O-N 2.95Å; Y168-Q172 PolarHBondContact OH-NE2 3.48Å; Y168-F181 HydrophobicContact CD2-CE2 4.42Å; Y168-F181 HydrophobicContact CD2-CZ 4.02Å; Y168-F181 HydrophobicContact CG-CZ 4.42Å; Y168-L293 HydrophobicContact CD1-CD1 3.48Å; Y168-L293 VanDerWaalsContact CD1-CD1 3.48Å; Y168-L293 HydrophobicContact CD1-CD2 3.72Å; Y168-L293 HydrophobicContact CD1-CG 4.15Å; Y168-L293 HydrophobicContact CD2-CD1 4.21Å; Y168-L293 HydrophobicContact CE1-CD1 3.98Å; Y168-L293 HydrophobicContact CE1-CD2 4.42Å; Y168-L293 HydrophobicContact CG-CD1 3.59Å; Y168-L293 HydrophobicContact CG-CD2 4.38Å; Y168-F294 HydrophobicContact CE1-CZ 4.02Å; Y168-F294 AromaticContact CZ-CZ 3.9Å; Y168-F294 WeakPolarHBondContact OH-CZ 3.19Å; Y168-V323 PolarHBondContact OH-O 3.07Å; Y168-V323 VanDerWaalsContact OH-O 3.06Å; Y168-L324 HydrophobicContact CD2-CD2 4.05Å; Y168-L324 HydrophobicContact CE2-CD2 3.66Å
169	K	92	Very high	85	Confident	109 Å²	109	58.6 Å²	58.6	47%	0.474	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-43.6	177.1	-73.1	174.7	178.7	173.4	0	111.4	V165 E166 Q172 A173 L293	V165-K169 HydrophobicContact CG1-CD 4.04Å; V165-K169 WeakPolarHBondContact O-CB 3.35Å; V165-K169 WeakPolarHBondContact O-CG 3.39Å; V165-K169 PolarHBondContact O-N 3.46Å; E166-K169 PolarHBondContact O-N 2.67Å; K169-Q172 PolarHBondContact O-N 2.9Å; K169-A173 WeakPolarHBondContact O-CB 3.45Å; K169-A173 PolarHBondContact O-N 3.46Å; K169-L293 HydrophobicContact CD-CD2 4.43Å; K169-L293 HydrophobicContact CG-CD2 3.89Å
170	A	90	Very high	83.9	Confident	43 Å²	43	58.5 Å²	58.5	36%	0.355	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-45.1	175.2	0	0	0	0	0	111.4	E166 Q172 A173 S174 L180	E166-A170 WeakPolarHBondContact O-CB 3.15Å; E166-A170 PolarHBondContact O-N 3.39Å; A170-Q172 VanDerWaalsContact C-N 3.32Å; A170-Q172 PolarHBondContact O-N 3.49Å; A170-A173 PolarHBondContact O-N 3.47Å; A170-A173 VanDerWaalsContact O-N 3.11Å; A170-S174 PolarHBondContact O-N 2.86Å; A170-S174 PolarHBondContact O-OG 3.38Å; A170-L180 HydrophobicContact CB-CD1 3.65Å
171	W	87.2	Confident	83.4	Confident	114 Å²	114	60.8 Å²	60.8	43%	0.432	33%	0.333	S	S	.	.	H	α-helix	trans	-60.8	-37.4	176.9	175	75.9	0	0	0	113.4	R167 Y168 S174 L180 F181	R167-W171 VanDerWaalsContact O-CB 3.26Å; R167-W171 WeakPolarHBondContact O-CB 3.34Å; R167-W171 PolarHBondContact O-N 2.93Å; Y168-W171 HydrophobicContact CE2-CE3 4.35Å; Y168-W171 HydrophobicContact CE2-CZ3 4.25Å; Y168-W171 PolarHBondContact O-N 3.28Å; W171-S174 CarbonylContact O-C 3.59Å; W171-L180 HydrophobicContact CB-CB 4.39Å; W171-L180 HydrophobicContact CB-CD1 4Å; W171-F181 HydrophobicContact CB-CD2 3.76Å; W171-F181 HydrophobicContact CB-CE2 3.65Å; W171-F181 HydrophobicContact CD2-CD2 4.22Å; W171-F181 HydrophobicContact CD2-CE2 4.5Å; W171-F181 AromaticContact CG-CD2 3.71Å; W171-F181 HydrophobicContact CG-CD2 3.71Å; W171-F181 HydrophobicContact CG-CE2 4.02Å
172	Q	84.7	Confident	83	Confident	114 Å²	114	63.4 Å²	63.4	53%	0.533	35%	0.35	S	S	.	.	H	α-helix	trans	-68.9	-38.3	173.6	-73.5	-162.6	-16.4	0	0	112.6	Y168 K169 A170	Y168-Q172 HydrophobicContact CD1-CG 4.2Å; Y168-Q172 VanDerWaalsContact CE1-CD 3.5Å; Y168-Q172 HydrophobicContact CE1-CG 3.89Å; Y168-Q172 PolarHBondContact O-N 2.95Å; Y168-Q172 PolarHBondContact OH-NE2 3.48Å; K169-Q172 PolarHBondContact O-N 2.9Å; A170-Q172 VanDerWaalsContact C-N 3.32Å; A170-Q172 PolarHBondContact O-N 3.49Å
173	A	85.4	Confident	82.8	Confident	90 Å²	90	60.9 Å²	60.9	74%	0.744	34%	0.337	S	S	*	.	H	α-helix	trans	-71.7	-38.8	-179.6	0	0	0	0	0	112.5	K169 A170	K169-A173 WeakPolarHBondContact O-CB 3.45Å; K169-A173 PolarHBondContact O-N 3.46Å; A170-A173 PolarHBondContact O-N 3.47Å; A170-A173 VanDerWaalsContact O-N 3.11Å
174	S	74.7	Confident	82.6	Confident	40 Å²	40	61.2 Å²	61.2	28%	0.28	34%	0.339	S	S	.	.			trans	-106.1	102.5	176	51.6	0	0	0	0	110.9	A170 W171 S176 S177	A170-S174 PolarHBondContact O-N 2.86Å; A170-S174 PolarHBondContact O-OG 3.38Å; W171-S174 CarbonylContact O-C 3.59Å; S174-S176 PolarHBondContact O-N 3.45Å; S174-S177 PolarHBondContact O-N 2.89Å; S174-S177 PolarHBondContact O-OG 3.1Å; S174-S177 WeakPolarHBondContact OG-CB 3.41Å; S174-S177 PolarHBondContact OG-OG 3.15Å
175	S	61.9	Low	82.2	Confident	131 Å²	131	63.1 Å²	63.1	92%	0.916	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-6.9	174.1	-49.4	0	0	0	0	114.3
176	S	58.9	Low	81.6	Confident	94 Å²	94	64.4 Å²	64.4	66%	0.657	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-12	-175	55.3	0	0	0	0	115.8	S174 K178	S174-S176 PolarHBondContact O-N 3.45Å; S176-K178 VanDerWaalsContact C-N 3.31Å; S176-K178 PolarHBondContact O-N 2.85Å
177	S	60.4	Low	80.7	Confident	17 Å²	17	61.5 Å²	61.5	12%	0.119	36%	0.362	C	S	.	.			trans	-79	78	-173.6	61.3	0	0	0	0	111.6	S174 D179 L180	S174-S177 PolarHBondContact O-N 2.89Å; S174-S177 PolarHBondContact O-OG 3.1Å; S174-S177 WeakPolarHBondContact OG-CB 3.41Å; S174-S177 PolarHBondContact OG-OG 3.15Å; S177-D179 PolarHBondContact O-N 3.35Å; S177-L180 VanDerWaalsContact OG-CD1 3.22Å; S177-L180 WeakPolarHBondContact OG-CD1 3.02Å
178	K	63.3	Low	80.1	Confident	74 Å²	74	63.7 Å²	63.7	32%	0.322	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-10.4	-177.2	-64	178.7	-175.2	171.7	0	113.6	S176 L349 Y350	S176-K178 VanDerWaalsContact C-N 3.31Å; S176-K178 PolarHBondContact O-N 2.85Å; K178-L349 HydrophobicContact CD-CB 4.06Å; K178-L349 HydrophobicContact CD-CD1 4.4Å; K178-L349 HydrophobicContact CD-CD2 4.34Å; K178-L349 PolarHBondContact NZ-O 2.71Å; K178-Y350 HydrophobicContact CB-CE2 4.45Å
179	D	69.9	Low	79.3	Confident	76 Å²	76	67 Å²	67	41%	0.406	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-0.9	179.8	60.3	-26.2	0	0	0	113.7	S177 L206	S177-D179 PolarHBondContact O-N 3.35Å; D179-L206 WeakPolarHBondContact O-CD2 3.44Å
180	L	74.5	Confident	78.5	Confident	34 Å²	34	61.9 Å²	61.9	18%	0.178	38%	0.382	C	S	.	.	S	Bend	trans	-85.9	-27.9	177.5	-63.4	-178.2	0	0	0	113.3	R167 A170 W171 S177	R167-L180 HydrophobicContact CG-CD2 4.45Å; A170-L180 HydrophobicContact CB-CD1 3.65Å; W171-L180 HydrophobicContact CB-CB 4.39Å; W171-L180 HydrophobicContact CB-CD1 4Å; S177-L180 VanDerWaalsContact OG-CD1 3.22Å; S177-L180 WeakPolarHBondContact OG-CD1 3.02Å
181	F	84.9	Confident	78.1	Confident	51 Å²	51	60.5 Å²	60.5	22%	0.224	37%	0.367	C	S	.	.			trans	-135.8	147.4	-175.6	-75.8	-78.5	0	0	0	113.9	F164 R167 Y168 W171 M183	F164-F181 HydrophobicContact CD2-CE1 4.08Å; F164-F181 AromaticContact CE2-CE1 3.55Å; F164-F181 HydrophobicContact CE2-CE1 3.55Å; F164-F181 HydrophobicContact CE2-CZ 4.25Å; F164-F181 HydrophobicContact CZ-CE1 4.02Å; F164-F181 HydrophobicContact CZ-CZ 4.42Å; R167-F181 HydrophobicContact CB-CE2 4.08Å; R167-F181 HydrophobicContact CB-CZ 3.94Å; R167-F181 WeakPolarHBondContact O-CE2 3.48Å; Y168-F181 HydrophobicContact CD2-CE2 4.42Å; Y168-F181 HydrophobicContact CD2-CZ 4.02Å; Y168-F181 HydrophobicContact CG-CZ 4.42Å; W171-F181 HydrophobicContact CB-CD2 3.76Å; W171-F181 HydrophobicContact CB-CE2 3.65Å; W171-F181 HydrophobicContact CD2-CD2 4.22Å; W171-F181 HydrophobicContact CD2-CE2 4.5Å; W171-F181 AromaticContact CG-CD2 3.71Å; W171-F181 HydrophobicContact CG-CD2 3.71Å; W171-F181 HydrophobicContact CG-CE2 4.02Å; F181-M183 HydrophobicContact CE1-CB 4.42Å
182	P	88.8	Confident	77.8	Confident	54 Å²	54	57.7 Å²	57.7	35%	0.351	36%	0.36	S	S	.	.	S	Bend	cis	-72.2	143.9	0.5	30	-35.4	0	0	0	112.8	L206 I342	P182-L206 HydrophobicContact CG-CD1 4.45Å; P182-L206 WeakPolarHBondContact O-CB 3.48Å; P182-I342 HydrophobicContact CG-CD1 3.7Å; P182-I342 HydrophobicContact CG-CG1 4.06Å; P182-I342 HydrophobicContact CG-CG2 4.23Å
183	M	92.4	Very high	77.4	Confident	33 Å²	33	53.5 Å²	53.5	16%	0.163	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-78.6	121.4	169.4	-171.9	-177.8	87.3	0	0	108.9	T160 E163 F164 F181 L206	T160-M183 HydrophobicContact CG2-CE 3.71Å; E163-M183 HydrophobicContact CG-SD 4.01Å; F164-M183 HydrophobicContact CB-CE 3.8Å; F164-M183 HydrophobicContact CB-SD 4.11Å; F164-M183 HydrophobicContact CD2-CB 4.48Å; F164-M183 HydrophobicContact CD2-CE 3.98Å; F164-M183 HydrophobicContact CD2-SD 4.33Å; F164-M183 HydrophobicContact CG-CE 4.4Å; F181-M183 HydrophobicContact CE1-CB 4.42Å; M183-L206 CarbonylContact C-O 3.58Å; M183-L206 WeakPolarHBondContact CA-O 3.26Å
184	I	91.9	Very high	77	Confident	26 Å²	26	49.8 Å²	49.8	13%	0.133	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-102.9	120.2	-177.9	-56.9	165.3	0	0	0	108.9	W191 V203 L206 I207 S208 I339 I342	I184-W191 HydrophobicContact CB-CZ2 4.46Å; I184-W191 HydrophobicContact CD1-CZ2 4.33Å; I184-W191 HydrophobicContact CG2-CH2 4.46Å; I184-W191 HydrophobicContact CG2-CZ2 3.56Å; I184-V203 HydrophobicContact CD1-CG1 3.81Å; I184-L206 HydrophobicContact CD1-CB 3.91Å; I184-L206 HydrophobicContact CD1-CD1 4.38Å; I184-L206 HydrophobicContact CG1-CB 4.31Å; I184-L206 PolarHBondContact N-O 2.84Å; I184-I207 CarbonylContact O-C 3.55Å; I184-I207 WeakPolarHBondContact O-CA 3.15Å; I184-S208 PolarHBondContact O-N 3.38Å; I184-I339 HydrophobicContact CD1-CD1 3.69Å; I184-I342 HydrophobicContact CD1-CD1 4.39Å
185	C	89.4	Confident	77.2	Confident	54 Å²	54	47.9 Å²	47.9	37%	0.365	30%	0.297	S	S	.	.			trans	-116.5	133.6	177	-176.9	0	0	0	0	110	T160 Y281	T160-C185 HydrophobicContact CG2-CB 4.45Å; C185-Y281 WeakPolarHBondContact SG-CD1 3.4Å
186	G	83.9	Confident	77.9	Confident	35 Å²	35	47.4 Å²	47.4	36%	0.361	28%	0.28	S	S	.	.			trans	-161.8	131.8	176.4	0	0	0	0	0	111.7
187	S	75.7	Confident	78.5	Confident	65 Å²	65	46.5 Å²	46.5	46%	0.455	27%	0.265	S	S	.	.			trans	-88.1	-10.2	178.8	-54.5	0	0	0	0	113.4
188	C	79.7	Confident	78.9	Confident	65 Å²	65	48.4 Å²	48.4	44%	0.439	28%	0.278	S	S	.	.			trans	-76.1	123.7	-177.1	179.5	0	0	0	0	110.5	G190 W191	C188-G190 PolarHBondContact O-N 3.1Å; C188-G190 PolarHBondContact SG-N 3.4Å; C188-W191 HydrophobicContact CB-CB 4.4Å; C188-W191 WeakPolarHBondContact O-CB 3.12Å; C188-W191 PolarHBondContact O-N 3.15Å; C188-W191 VanDerWaalsContact O-N 3.13Å
189	P	75	Confident	79.3	Confident	88 Å²	88	45.7 Å²	45.7	57%	0.571	27%	0.267	S	S	*	.	H	α-helix	trans	-62.1	-31.7	177.4	24.5	-33.2	0	0	0	112.4	W191 I192 C193	P189-W191 PolarHBondContact O-N 3.25Å; P189-I192 PolarHBondContact O-N 2.77Å; P189-C193 PolarHBondContact O-N 2.93Å; P189-C193 PolarHBondContact O-SG 3.35Å
190	G	75.2	Confident	79.4	Confident	2 Å²	2	42.9 Å²	42.9	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-32.6	176.3	0	0	0	0	0	113.5	C74 C188 Y194	C74-G190 PolarHBondContact SG-O 2.98Å; C74-G190 VanDerWaalsContact SG-O 3.4Å; C188-G190 PolarHBondContact O-N 3.1Å; C188-G190 PolarHBondContact SG-N 3.4Å; G190-Y194 WeakPolarHBondContact O-CB 3.31Å; G190-Y194 PolarHBondContact O-N 3.16Å
191	W	81.9	Confident	79.3	Confident	13 Å²	13	47 Å²	47	5%	0.049	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-46.1	172.5	161.5	-115.7	0	0	0	111.3	I184 C188 P189 Y194 A195 V203 I207 I335 I339	I184-W191 HydrophobicContact CB-CZ2 4.46Å; I184-W191 HydrophobicContact CD1-CZ2 4.33Å; I184-W191 HydrophobicContact CG2-CH2 4.46Å; I184-W191 HydrophobicContact CG2-CZ2 3.56Å; C188-W191 HydrophobicContact CB-CB 4.4Å; C188-W191 WeakPolarHBondContact O-CB 3.12Å; C188-W191 PolarHBondContact O-N 3.15Å; C188-W191 VanDerWaalsContact O-N 3.13Å; P189-W191 PolarHBondContact O-N 3.25Å; W191-Y194 AromaticContact CE3-CD1 3.88Å; W191-Y194 HydrophobicContact CE3-CD1 3.88Å; W191-Y194 AromaticContact CZ3-CD1 3.53Å; W191-Y194 HydrophobicContact CZ3-CD1 3.53Å; W191-Y194 AromaticContact CZ3-CE1 3.84Å; W191-Y194 HydrophobicContact CZ3-CE1 3.84Å; W191-Y194 PolarHBondContact O-N 2.98Å; W191-A195 HydrophobicContact CH2-CB 4.28Å; W191-A195 HydrophobicContact CZ2-CB 4.2Å; W191-A195 WeakPolarHBondContact O-CB 3.33Å; W191-A195 PolarHBondContact O-N 2.7Å; W191-V203 HydrophobicContact CH2-CG1 3.94Å; W191-V203 HydrophobicContact CZ2-CG1 4.12Å; W191-I207 HydrophobicContact CZ2-CD1 4.1Å; W191-I207 HydrophobicContact CZ2-CG1 4.19Å; W191-I335 HydrophobicContact CD2-CG2 4.46Å; W191-I335 HydrophobicContact CE3-CG2 3.44Å; W191-I335 VanDerWaalsContact CE3-CG2 3.44Å; W191-I335 HydrophobicContact CZ3-CG2 3.52Å; W191-I339 HydrophobicContact CH2-CD1 3.3Å; W191-I339 HydrophobicContact CH2-CG1 3.49Å; W191-I339 VanDerWaalsContact CH2-CG1 3.49Å; W191-I339 HydrophobicContact CZ2-CD1 4.13Å; W191-I339 HydrophobicContact CZ3-CD1 3.92Å; W191-I339 HydrophobicContact CZ3-CG1 3.57Å
192	I	81.9	Confident	78.8	Confident	55 Å²	55	46 Å²	46	28%	0.282	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-45.7	179.1	-59.3	-58.6	0	0	0	110.9	P189 Y194 A195 E196 I207	P189-I192 PolarHBondContact O-N 2.77Å; I192-Y194 VanDerWaalsContact C-N 3.35Å; I192-Y194 PolarHBondContact O-N 3.18Å; I192-A195 WeakPolarHBondContact O-CB 3.38Å; I192-A195 PolarHBondContact O-N 3.27Å; I192-A195 VanDerWaalsContact O-N 3.1Å; I192-E196 HydrophobicContact CG2-CG 4.41Å; I192-E196 WeakPolarHBondContact O-CG 3.34Å; I192-E196 PolarHBondContact O-N 3.02Å; I192-I207 HydrophobicContact CD1-CD1 4.24Å; I192-I207 HydrophobicContact CD1-CG2 4.09Å
193	C	77	Confident	78.3	Confident	27 Å²	27	43.4 Å²	43.4	18%	0.182	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-42.4	176.8	-64.3	0	0	0	0	112.3	C74 P189 A195 K197	C74-C193 WeakPolarHBondContact O-CB 3.34Å; P189-C193 PolarHBondContact O-N 2.93Å; P189-C193 PolarHBondContact O-SG 3.35Å; C193-A195 VanDerWaalsContact C-N 3.35Å; C193-K197 WeakPolarHBondContact O-CB 3.35Å; C193-K197 VanDerWaalsContact O-CG 3.27Å; C193-K197 WeakPolarHBondContact O-CG 3.42Å; C193-K197 PolarHBondContact O-N 3.13Å
194	Y	75.2	Confident	77.9	Confident	11 Å²	11	45.2 Å²	45.2	4%	0.043	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-43.8	173.3	168.9	-104.3	0	0	0	111.5	G190 W191 I192 E196 K197 S198 V199 F332 Q336 I339	G190-Y194 WeakPolarHBondContact O-CB 3.31Å; G190-Y194 PolarHBondContact O-N 3.16Å; W191-Y194 AromaticContact CE3-CD1 3.88Å; W191-Y194 HydrophobicContact CE3-CD1 3.88Å; W191-Y194 AromaticContact CZ3-CD1 3.53Å; W191-Y194 HydrophobicContact CZ3-CD1 3.53Å; W191-Y194 AromaticContact CZ3-CE1 3.84Å; W191-Y194 HydrophobicContact CZ3-CE1 3.84Å; W191-Y194 PolarHBondContact O-N 2.98Å; I192-Y194 VanDerWaalsContact C-N 3.35Å; I192-Y194 PolarHBondContact O-N 3.18Å; Y194-E196 PolarHBondContact O-N 3.42Å; Y194-K197 PolarHBondContact O-N 3.11Å; Y194-S198 VanDerWaalsContact CD2-OG 3.29Å; Y194-S198 WeakPolarHBondContact CD2-OG 3.39Å; Y194-S198 WeakPolarHBondContact O-CB 3.41Å; Y194-S198 PolarHBondContact O-N 3.47Å; Y194-S198 PolarHBondContact O-OG 2.9Å; Y194-V199 HydrophobicContact CE1-CG1 3.97Å; Y194-F332 HydrophobicContact CD1-CE2 4.01Å; Y194-F332 HydrophobicContact CD1-CZ 4.43Å; Y194-F332 AromaticContact CD2-CE2 3.85Å; Y194-F332 HydrophobicContact CD2-CE2 3.85Å; Y194-F332 AromaticContact CD2-CZ 3.43Å; Y194-F332 HydrophobicContact CD2-CZ 3.43Å; Y194-F332 VanDerWaalsContact CD2-CZ 3.43Å; Y194-F332 HydrophobicContact CE2-CZ 4.04Å; Y194-F332 AromaticContact CG-CE2 3.55Å; Y194-F332 HydrophobicContact CG-CE2 3.55Å; Y194-F332 AromaticContact CG-CZ 3.65Å; Y194-F332 HydrophobicContact CG-CZ 3.65Å; Y194-Q336 HydrophobicContact CE1-CG 4.37Å; Y194-Q336 HydrophobicContact CE2-CG 3.99Å; Y194-I339 HydrophobicContact CE1-CB 4.43Å; Y194-I339 HydrophobicContact CE1-CG2 4.35Å
195	A	80	Confident	77.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.281	C	S	.	.	I	π-helix	trans	-56.5	-53	179	0	0	0	0	0	111.1	W191 I192 C193 K197 V199 G200 I207	W191-A195 HydrophobicContact CH2-CB 4.28Å; W191-A195 HydrophobicContact CZ2-CB 4.2Å; W191-A195 WeakPolarHBondContact O-CB 3.33Å; W191-A195 PolarHBondContact O-N 2.7Å; I192-A195 WeakPolarHBondContact O-CB 3.38Å; I192-A195 PolarHBondContact O-N 3.27Å; I192-A195 VanDerWaalsContact O-N 3.1Å; C193-A195 VanDerWaalsContact C-N 3.35Å; A195-K197 PolarHBondContact O-N 3.18Å; A195-V199 VanDerWaalsContact CA-CG2 3.47Å; A195-V199 HydrophobicContact CB-CG2 4.25Å; A195-V199 WeakPolarHBondContact O-CG2 3.41Å; A195-V199 PolarHBondContact O-N 2.86Å; A195-G200 PolarHBondContact O-N 3.4Å; A195-I207 HydrophobicContact CB-CD1 3.66Å
196	E	76.7	Confident	77.6	Confident	121 Å²	121	44.5 Å²	44.5	57%	0.565	26%	0.264	S	S	*	.	I	π-helix	trans	-63.1	-42.2	-179.2	-69.5	174.6	170	0	0	112.7	I192 Y194	I192-E196 HydrophobicContact CG2-CG 4.41Å; I192-E196 WeakPolarHBondContact O-CG 3.34Å; I192-E196 PolarHBondContact O-N 3.02Å; Y194-E196 PolarHBondContact O-N 3.42Å
197	K	70.9	Confident	77.9	Confident	75 Å²	75	44 Å²	44	33%	0.326	25%	0.253	S	S	.	.	I	π-helix	trans	-86	-32.1	-172.3	-68.8	176.5	-177.3	180	0	115.2	E79 C193 Y194 A195 R371	E79-K197 WeakPolarHBondContact OE1-CE 3.18Å; E79-K197 IonicContact OE1-NZ 2.65Å; E79-K197 PolarHBondContact OE1-NZ 3.04Å; E79-K197 IonicContact OE2-NZ 2.64Å; E79-K197 PolarHBondContact OE2-NZ 2.92Å; C193-K197 WeakPolarHBondContact O-CB 3.35Å; C193-K197 VanDerWaalsContact O-CG 3.27Å; C193-K197 WeakPolarHBondContact O-CG 3.42Å; C193-K197 PolarHBondContact O-N 3.13Å; Y194-K197 PolarHBondContact O-N 3.11Å; A195-K197 PolarHBondContact O-N 3.18Å; K197-R371 PolarHBondContact O-NH1 3.16Å
198	S	69.7	Low	78.8	Confident	57 Å²	57	41.8 Å²	41.8	40%	0.399	24%	0.238	S	C	.	.	I	π-helix	trans	-111.8	-29.6	-164.3	-55.7	0	0	0	0	113.3	Y194	Y194-S198 VanDerWaalsContact CD2-OG 3.29Å; Y194-S198 WeakPolarHBondContact CD2-OG 3.39Å; Y194-S198 WeakPolarHBondContact O-CB 3.41Å; Y194-S198 PolarHBondContact O-N 3.47Å; Y194-S198 PolarHBondContact O-OG 2.9Å
199	V	71.8	Confident	79.4	Confident	17 Å²	17	47 Å²	47	10%	0.103	25%	0.253	C	S	.	.	I	π-helix	trans	-125.5	-23.6	-171.3	-58	0	0	0	0	113	Y194 A195 V203 I339 L343	Y194-V199 HydrophobicContact CE1-CG1 3.97Å; A195-V199 VanDerWaalsContact CA-CG2 3.47Å; A195-V199 HydrophobicContact CB-CG2 4.25Å; A195-V199 WeakPolarHBondContact O-CG2 3.41Å; A195-V199 PolarHBondContact O-N 2.86Å; V199-V203 HydrophobicContact CB-CB 4.25Å; V199-V203 HydrophobicContact CB-CG2 3.88Å; V199-V203 HydrophobicContact CG2-CB 3.7Å; V199-V203 HydrophobicContact CG2-CG1 4.07Å; V199-V203 HydrophobicContact CG2-CG2 3.83Å; V199-I339 HydrophobicContact CB-CG2 4.17Å; V199-I339 HydrophobicContact CG1-CG2 3.69Å; V199-I339 HydrophobicContact CG2-CG2 4.24Å; V199-L343 HydrophobicContact CB-CD1 3.87Å; V199-L343 HydrophobicContact CB-CD2 4.48Å; V199-L343 HydrophobicContact CG1-CD1 3.62Å
200	G	70.2	Confident	80.3	Confident	17 Å²	17	44 Å²	44	18%	0.175	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	60.9	-148.4	163.7	0	0	0	0	0	114.7	A195 L202 V203 I204	A195-G200 PolarHBondContact O-N 3.4Å; G200-L202 PolarHBondContact O-N 3.49Å; G200-V203 PolarHBondContact O-N 2.97Å; G200-I204 WeakPolarHBondContact O-CG1 3.47Å; G200-I204 PolarHBondContact O-N 3.44Å; G200-I204 VanDerWaalsContact O-N 3.14Å
201	D	73.4	Confident	81.1	Confident	122 Å²	122	51.2 Å²	51.2	65%	0.652	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-56	-17.3	-169.6	-55.2	-29.5	0	0	0	115.5	P205	D201-P205 WeakPolarHBondContact O-CD 3.4Å; D201-P205 VanDerWaalsContact O-CG 3.28Å; D201-P205 WeakPolarHBondContact O-CG 3.48Å
202	L	73.3	Confident	81.5	Confident	29 Å²	29	52.8 Å²	52.8	15%	0.152	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-78.2	-30.4	177.7	-72.1	-174	0	0	0	113.2	G200 L343 T346 V347 W360	G200-L202 PolarHBondContact O-N 3.49Å; L202-L343 HydrophobicContact CB-CD2 3.62Å; L202-L343 HydrophobicContact CD1-CD2 3.77Å; L202-L343 HydrophobicContact CG-CD2 4.36Å; L202-T346 HydrophobicContact CB-CG2 4.36Å; L202-T346 HydrophobicContact CD1-CG2 4.38Å; L202-T346 HydrophobicContact CD2-CG2 3.91Å; L202-T346 HydrophobicContact CG-CG2 4.45Å; L202-V347 HydrophobicContact CD1-CG2 3.85Å; L202-W360 HydrophobicContact CD1-CH2 4.12Å; L202-W360 HydrophobicContact CD1-CZ2 3.28Å; L202-W360 HydrophobicContact CD2-CZ2 4.48Å; L202-W360 HydrophobicContact CG-CZ2 3.77Å
203	V	79.6	Confident	81.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-30.8	-175.2	176.3	0	0	0	0	111.1	I184 W191 V199 G200 P205 L206 I207 I339 L343	I184-V203 HydrophobicContact CD1-CG1 3.81Å; W191-V203 HydrophobicContact CH2-CG1 3.94Å; W191-V203 HydrophobicContact CZ2-CG1 4.12Å; V199-V203 HydrophobicContact CB-CB 4.25Å; V199-V203 HydrophobicContact CB-CG2 3.88Å; V199-V203 HydrophobicContact CG2-CB 3.7Å; V199-V203 HydrophobicContact CG2-CG1 4.07Å; V199-V203 HydrophobicContact CG2-CG2 3.83Å; G200-V203 PolarHBondContact O-N 2.97Å; V203-P205 VanDerWaalsContact C-CD 3.47Å; V203-P205 VanDerWaalsContact C-N 3.33Å; V203-L206 WeakPolarHBondContact O-CA 3.41Å; V203-L206 VanDerWaalsContact O-CB 3.27Å; V203-L206 WeakPolarHBondContact O-CB 3.38Å; V203-L206 PolarHBondContact O-N 2.94Å; V203-I207 PolarHBondContact O-N 3.44Å; V203-I339 HydrophobicContact CG1-CD1 4.25Å; V203-I339 HydrophobicContact CG1-CG2 4.49Å; V203-I339 HydrophobicContact CG2-CG2 3.92Å; V203-L343 HydrophobicContact CG2-CD2 3.56Å; V203-L343 HydrophobicContact CG2-CG 3.92Å
204	I	84.6	Confident	82.3	Confident	71 Å²	71	56 Å²	56	36%	0.364	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-51.4	-44.4	178.9	-67.7	168.1	0	0	0	112.6	G200 L206 I207	G200-I204 WeakPolarHBondContact O-CG1 3.47Å; G200-I204 PolarHBondContact O-N 3.44Å; G200-I204 VanDerWaalsContact O-N 3.14Å; I204-L206 PolarHBondContact O-N 3.14Å; I204-I207 WeakPolarHBondContact O-CB 3.45Å; I204-I207 PolarHBondContact O-N 3.3Å; I204-I207 VanDerWaalsContact O-N 3.1Å
205	P	85.4	Confident	83	Confident	60 Å²	60	57.5 Å²	57.5	39%	0.39	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-63.8	-25.8	177.8	-23.8	35.4	0	0	0	114.3	R167 D201 V203 I207	R167-P205 PolarHBondContact NH1-O 3.36Å; D201-P205 WeakPolarHBondContact O-CD 3.4Å; D201-P205 VanDerWaalsContact O-CG 3.28Å; D201-P205 WeakPolarHBondContact O-CG 3.48Å; V203-P205 VanDerWaalsContact C-CD 3.47Å; V203-P205 VanDerWaalsContact C-N 3.33Å; P205-I207 VanDerWaalsContact C-N 3.3Å
206	L	88.3	Confident	83.4	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.021	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-76.8	-18.5	178.1	-61.3	179.9	0	0	0	112.3	D179 P182 M183 I184 V203 I204 I342	D179-L206 WeakPolarHBondContact O-CD2 3.44Å; P182-L206 HydrophobicContact CG-CD1 4.45Å; P182-L206 WeakPolarHBondContact O-CB 3.48Å; M183-L206 CarbonylContact C-O 3.58Å; M183-L206 WeakPolarHBondContact CA-O 3.26Å; I184-L206 HydrophobicContact CD1-CB 3.91Å; I184-L206 HydrophobicContact CD1-CD1 4.38Å; I184-L206 HydrophobicContact CG1-CB 4.31Å; I184-L206 PolarHBondContact N-O 2.84Å; V203-L206 WeakPolarHBondContact O-CA 3.41Å; V203-L206 VanDerWaalsContact O-CB 3.27Å; V203-L206 WeakPolarHBondContact O-CB 3.38Å; V203-L206 PolarHBondContact O-N 2.94Å; I204-L206 PolarHBondContact O-N 3.14Å; L206-I342 HydrophobicContact CD1-CG2 3.7Å
207	I	91.5	Very high	83.9	Confident	25 Å²	25	52.9 Å²	52.9	13%	0.128	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-71.4	137.4	179.8	-59.5	175.7	0	0	0	109.9	R167 I184 W191 I192 A195 V203 I204 P205	R167-I207 PolarHBondContact NH2-O 2.89Å; I184-I207 CarbonylContact O-C 3.55Å; I184-I207 WeakPolarHBondContact O-CA 3.15Å; W191-I207 HydrophobicContact CZ2-CD1 4.1Å; W191-I207 HydrophobicContact CZ2-CG1 4.19Å; I192-I207 HydrophobicContact CD1-CD1 4.24Å; I192-I207 HydrophobicContact CD1-CG2 4.09Å; A195-I207 HydrophobicContact CB-CD1 3.66Å; V203-I207 PolarHBondContact O-N 3.44Å; I204-I207 WeakPolarHBondContact O-CB 3.45Å; I204-I207 PolarHBondContact O-N 3.3Å; I204-I207 VanDerWaalsContact O-N 3.1Å; P205-I207 VanDerWaalsContact C-N 3.3Å
208	S	93.3	Very high	84.6	Confident	18 Å²	18	50.6 Å²	50.6	13%	0.126	28%	0.28	C	S	.	.			trans	-58	136.1	173.4	172.1	0	0	0	0	111	E163 I184 A210	E163-S208 WeakPolarHBondContact OE2-CA 3.46Å; E163-S208 WeakPolarHBondContact OE2-CB 3.03Å; E163-S208 PolarHBondContact OE2-OG 2.92Å; I184-S208 PolarHBondContact O-N 3.38Å; S208-A210 WeakPolarHBondContact OG-CB 3.45Å; S208-A210 PolarHBondContact OG-N 3.19Å
209	K	92.6	Very high	85.4	Confident	175 Å²	175	49 Å²	49	76%	0.761	27%	0.27	S	S	*	.			trans	-87.3	-9.8	177.2	-62.2	177.4	-176.4	175.8	0	112.2	E163 R211	E163-K209 VanDerWaalsContact CD-N 3.26Å; E163-K209 PolarHBondContact OE1-N 3.26Å; E163-K209 PolarHBondContact OE2-N 3.18Å; K209-R211 PolarHBondContact O-N 3.02Å
210	A	93	Very high	85.9	Confident	24 Å²	24	49.3 Å²	49.3	20%	0.198	27%	0.271	C	S	.	.	S	Bend	trans	-56.8	128.8	175.2	0	0	0	0	0	110.4	A159 T160 E163 S208	A159-A210 HydrophobicContact CB-CB 4.04Å; T160-A210 WeakPolarHBondContact OG1-CB 3.34Å; E163-A210 PolarHBondContact OE2-N 3.2Å; E163-A210 VanDerWaalsContact OE2-N 3.14Å; S208-A210 WeakPolarHBondContact OG-CB 3.45Å; S208-A210 PolarHBondContact OG-N 3.19Å
211	R	92	Very high	86.3	Confident	154 Å²	154	49.6 Å²	49.6	58%	0.581	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-66.6	142.4	180	-72.1	-177.9	-178.8	179.5	1.6	110.3	S156 K209 A215 I216	S156-R211 WeakPolarHBondContact CB-O 3.45Å; S156-R211 PolarHBondContact OG-O 3.48Å; K209-R211 PolarHBondContact O-N 3.02Å; R211-A215 HydrophobicContact CB-CB 4.1Å; R211-I216 HydrophobicContact CB-CD1 4.15Å; R211-I216 HydrophobicContact CB-CG1 3.56Å; R211-I216 WeakPolarHBondContact O-CD1 3.43Å
212	S	90.9	Very high	86.5	Confident	47 Å²	47	51 Å²	51	33%	0.329	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-64.1	159.6	174.2	73.9	0	0	0	0	111	Q214 A215 I216	S212-Q214 PolarHBondContact O-N 2.97Å; S212-A215 PolarHBondContact O-N 3.13Å; S212-A215 PolarHBondContact OG-N 3.31Å; S212-I216 WeakPolarHBondContact O-CG1 3.32Å; S212-I216 PolarHBondContact O-N 3.19Å
213	P	88.1	Confident	86.6	Confident	21 Å²	21	54.8 Å²	54.8	14%	0.136	29%	0.29	C	S	.	.	H	α-helix	trans	-54	-39.8	176.6	-26.7	34.8	0	0	0	112.7	A152 R153 I216 S217 Y281	A152-P213 HydrophobicContact CB-CB 4.46Å; A152-P213 WeakPolarHBondContact CB-O 3.11Å; R153-P213 HydrophobicContact CB-CB 4.45Å; R153-P213 HydrophobicContact CB-CG 4.31Å; R153-P213 HydrophobicContact CG-CB 3.6Å; R153-P213 HydrophobicContact CG-CG 3.63Å; P213-I216 PolarHBondContact O-N 2.94Å; P213-S217 WeakPolarHBondContact O-CB 3.4Å; P213-S217 PolarHBondContact O-N 3.21Å; P213-S217 PolarHBondContact O-OG 2.87Å; P213-Y281 WeakPolarHBondContact CD-OH 2.78Å
214	Q	88.3	Confident	86.2	Confident	127 Å²	127	61.9 Å²	61.9	59%	0.593	32%	0.318	S	S	*	.	H	α-helix	trans	-64.3	-42.8	177	-174.6	61.9	17.7	0	0	112.4	T110 S212 S217 G218	T110-Q214 PolarHBondContact OG1-OE1 3Å; S212-Q214 PolarHBondContact O-N 2.97Å; Q214-S217 PolarHBondContact O-N 3.45Å; Q214-G218 PolarHBondContact O-N 2.85Å
215	A	89.8	Confident	85.5	Confident	44 Å²	44	59.5 Å²	59.5	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-67.9	-36.7	178.5	0	0	0	0	0	111.9	R211 S212 A219	R211-A215 HydrophobicContact CB-CB 4.1Å; S212-A215 PolarHBondContact O-N 3.13Å; S212-A215 PolarHBondContact OG-N 3.31Å; A215-A219 PolarHBondContact O-N 3.48Å; A215-A219 VanDerWaalsContact O-N 3.07Å
216	I	89.1	Confident	84.7	Confident	19 Å²	19	59.7 Å²	59.7	10%	0.097	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-48.2	174	-67.7	176.1	0	0	0	110.6	A152 L155 R211 S212 P213 G218 A219 I220	A152-I216 HydrophobicContact CB-CB 4.06Å; A152-I216 HydrophobicContact CB-CG2 3.78Å; L155-I216 HydrophobicContact CB-CD1 4.05Å; L155-I216 HydrophobicContact CB-CG2 4.17Å; L155-I216 HydrophobicContact CD1-CG2 3.87Å; R211-I216 HydrophobicContact CB-CD1 4.15Å; R211-I216 HydrophobicContact CB-CG1 3.56Å; R211-I216 WeakPolarHBondContact O-CD1 3.43Å; S212-I216 WeakPolarHBondContact O-CG1 3.32Å; S212-I216 PolarHBondContact O-N 3.19Å; P213-I216 PolarHBondContact O-N 2.94Å; I216-G218 VanDerWaalsContact C-N 3.29Å; I216-G218 PolarHBondContact O-N 3.5Å; I216-A219 PolarHBondContact O-N 3.15Å; I216-A219 VanDerWaalsContact O-N 3.14Å; I216-I220 HydrophobicContact CG2-CD1 3.67Å; I216-I220 HydrophobicContact CG2-CG1 4.33Å; I216-I220 WeakPolarHBondContact O-CG1 3.48Å; I216-I220 PolarHBondContact O-N 3.35Å
217	S	86	Confident	83.8	Confident	5 Å²	5	63.7 Å²	63.7	4%	0.035	32%	0.322	C	S	.	.	H	α-helix	trans	-55.1	-46	175.1	-74.8	0	0	0	0	111.5	A152 P213 Q214 A219 I220 V221	A152-S217 WeakPolarHBondContact CB-OG 3.14Å; P213-S217 WeakPolarHBondContact O-CB 3.4Å; P213-S217 PolarHBondContact O-N 3.21Å; P213-S217 PolarHBondContact O-OG 2.87Å; Q214-S217 PolarHBondContact O-N 3.45Å; S217-A219 PolarHBondContact O-N 3.2Å; S217-I220 PolarHBondContact O-N 2.91Å; S217-V221 VanDerWaalsContact O-CG2 3.29Å; S217-V221 WeakPolarHBondContact O-CG2 3.34Å; S217-V221 PolarHBondContact O-N 3.05Å
218	G	86.5	Confident	82.4	Confident	26 Å²	26	64.4 Å²	64.4	27%	0.268	33%	0.325	S	S	.	.	H	α-helix	trans	-60.5	-41.8	176.9	0	0	0	0	0	113.1	Q214 I216 V221 K222	Q214-G218 PolarHBondContact O-N 2.85Å; I216-G218 VanDerWaalsContact C-N 3.29Å; I216-G218 PolarHBondContact O-N 3.5Å; G218-V221 PolarHBondContact O-N 2.8Å; G218-K222 WeakPolarHBondContact O-CB 3.47Å; G218-K222 VanDerWaalsContact O-CG 3.29Å; G218-K222 WeakPolarHBondContact O-CG 3.48Å; G218-K222 PolarHBondContact O-N 3.44Å
219	A	86	Confident	80.8	Confident	23 Å²	23	65 Å²	65	19%	0.19	33%	0.326	C	S	.	.	H	α-helix	trans	-66.6	-42.7	176.2	0	0	0	0	0	112.1	A215 I216 S217 V221 K222 D223	A215-A219 PolarHBondContact O-N 3.48Å; A215-A219 VanDerWaalsContact O-N 3.07Å; I216-A219 PolarHBondContact O-N 3.15Å; I216-A219 VanDerWaalsContact O-N 3.14Å; S217-A219 PolarHBondContact O-N 3.2Å; A219-V221 VanDerWaalsContact C-N 3.33Å; A219-V221 PolarHBondContact O-N 2.81Å; A219-K222 PolarHBondContact O-N 2.82Å; A219-D223 VanDerWaalsContact O-CB 3.3Å; A219-D223 WeakPolarHBondContact O-CB 3.47Å; A219-D223 PolarHBondContact O-N 3.02Å
220	I	81.2	Confident	79.2	Confident	24 Å²	24	64.3 Å²	64.3	12%	0.123	32%	0.319	C	S	.	.	I	π-helix	trans	-60.9	-44.4	176.2	-68	164.6	0	0	0	110.7	F151 L155 I216 S217 Y224 L225 F266	F151-I220 HydrophobicContact CD1-CD1 3.83Å; F151-I220 HydrophobicContact CE1-CD1 3.71Å; L155-I220 HydrophobicContact CD1-CD1 4.01Å; I216-I220 HydrophobicContact CG2-CD1 3.67Å; I216-I220 HydrophobicContact CG2-CG1 4.33Å; I216-I220 WeakPolarHBondContact O-CG1 3.48Å; I216-I220 PolarHBondContact O-N 3.35Å; S217-I220 PolarHBondContact O-N 2.91Å; I220-Y224 HydrophobicContact CG2-CD1 4.36Å; I220-Y224 CarbonylContact O-C 3.54Å; I220-Y224 WeakPolarHBondContact O-CA 3.23Å; I220-Y224 WeakPolarHBondContact O-CB 3.41Å; I220-Y224 PolarHBondContact O-N 3.35Å; I220-L225 PolarHBondContact O-N 2.83Å; I220-F266 HydrophobicContact CG2-CZ 4.14Å
221	V	78.6	Confident	77.5	Confident	24 Å²	24	68.5 Å²	68.5	15%	0.145	34%	0.338	C	S	.	.	I	π-helix	trans	-66.4	-44.7	179.7	170.6	0	0	0	0	111.3	V108 L147 S217 G218 A219 L225	V108-V221 HydrophobicContact CB-CG1 4.31Å; V108-V221 HydrophobicContact CG1-CG1 4.47Å; V108-V221 HydrophobicContact CG1-CG2 3.95Å; V108-V221 HydrophobicContact CG2-CG1 3.86Å; L147-V221 HydrophobicContact CD1-CG2 3.81Å; S217-V221 VanDerWaalsContact O-CG2 3.29Å; S217-V221 WeakPolarHBondContact O-CG2 3.34Å; S217-V221 PolarHBondContact O-N 3.05Å; G218-V221 PolarHBondContact O-N 2.8Å; A219-V221 VanDerWaalsContact C-N 3.33Å; A219-V221 PolarHBondContact O-N 2.81Å; V221-L225 HydrophobicContact CG1-CD2 4.24Å; V221-L225 WeakPolarHBondContact O-CB 3.18Å
222	K	78.9	Confident	75.9	Confident	150 Å²	150	66.8 Å²	66.8	65%	0.652	34%	0.34	S	S	*	.	I	π-helix	trans	-75.3	-33.6	-176.5	-70.6	178.1	-178.2	-175.4	0	113.4	G218 A219 L226	G218-K222 WeakPolarHBondContact O-CB 3.47Å; G218-K222 VanDerWaalsContact O-CG 3.29Å; G218-K222 WeakPolarHBondContact O-CG 3.48Å; G218-K222 PolarHBondContact O-N 3.44Å; A219-K222 PolarHBondContact O-N 2.82Å; K222-L226 WeakPolarHBondContact O-CB 3.38Å; K222-L226 VanDerWaalsContact O-CD1 3.23Å; K222-L226 WeakPolarHBondContact O-CD1 3.37Å; K222-L226 WeakPolarHBondContact O-CG 3.46Å
223	D	75.4	Confident	74.1	Confident	110 Å²	110	73.3 Å²	73.3	59%	0.588	36%	0.362	S	S	*	.	I	π-helix	trans	-102.2	-66.4	-175	-58.4	-20.3	0	0	0	110.2	A219 Q227	A219-D223 VanDerWaalsContact O-CB 3.3Å; A219-D223 WeakPolarHBondContact O-CB 3.47Å; A219-D223 PolarHBondContact O-N 3.02Å; D223-Q227 WeakPolarHBondContact O-CB 3.29Å; D223-Q227 PolarHBondContact O-N 2.8Å
224	Y	71.2	Confident	72.1	Confident	149 Å²	149	73 Å²	73	58%	0.584	36%	0.36	S	S	*	.	I	π-helix	trans	-69	-47.8	-170.9	-180	-98.2	0	0	0	113.1	I220 Q227 M228	I220-Y224 HydrophobicContact CG2-CD1 4.36Å; I220-Y224 CarbonylContact O-C 3.54Å; I220-Y224 WeakPolarHBondContact O-CA 3.23Å; I220-Y224 WeakPolarHBondContact O-CB 3.41Å; I220-Y224 PolarHBondContact O-N 3.35Å; Y224-Q227 PolarHBondContact O-N 3.1Å; Y224-M228 HydrophobicContact CE1-SD 4.34Å; Y224-M228 VanDerWaalsContact O-CB 3.28Å; Y224-M228 WeakPolarHBondContact O-CB 3.29Å; Y224-M228 PolarHBondContact O-N 3.37Å
225	L	69.6	Low	70.2	Confident	20 Å²	20	72.4 Å²	72.4	11%	0.105	37%	0.371	C	S	.	.	I	π-helix	trans	-64.6	-44.9	-179.7	179.7	71.1	0	0	0	110.5	L106 L145 I220 V221 Q227 M228 L229	L106-L225 HydrophobicContact CD2-CD2 4.46Å; L145-L225 HydrophobicContact CD1-CD2 3.57Å; I220-L225 PolarHBondContact O-N 2.83Å; V221-L225 HydrophobicContact CG1-CD2 4.24Å; V221-L225 WeakPolarHBondContact O-CB 3.18Å; L225-Q227 VanDerWaalsContact C-N 3.34Å; L225-Q227 PolarHBondContact O-N 3.34Å; L225-M228 HydrophobicContact CD1-CE 3.75Å; L225-M228 PolarHBondContact O-N 2.89Å; L225-L229 HydrophobicContact CD1-CD1 4.5Å; L225-L229 HydrophobicContact CG-CD1 4.13Å; L225-L229 WeakPolarHBondContact O-CB 3.44Å; L225-L229 WeakPolarHBondContact O-CG 3.3Å; L225-L229 PolarHBondContact O-N 2.96Å
226	L	69.7	Low	68.2	Low	64 Å²	64	74.9 Å²	74.9	34%	0.335	37%	0.371	S	S	.	.	H	α-helix	trans	-64	-39.2	175.9	-66.3	-169.7	0	0	0	112.1	K222 L229 R230	K222-L226 WeakPolarHBondContact O-CB 3.38Å; K222-L226 VanDerWaalsContact O-CD1 3.23Å; K222-L226 WeakPolarHBondContact O-CD1 3.37Å; K222-L226 WeakPolarHBondContact O-CG 3.46Å; L226-L229 HydrophobicContact CD2-CD1 4.46Å; L226-L229 PolarHBondContact O-N 2.58Å; L226-R230 VanDerWaalsContact O-CG 3.29Å; L226-R230 WeakPolarHBondContact O-CG 3.37Å; L226-R230 PolarHBondContact O-N 3.48Å
227	Q	68.2	Low	66.3	Low	89 Å²	89	77.3 Å²	77.3	42%	0.416	39%	0.394	S	S	.	.	H	α-helix	trans	-65.8	-47.2	176.8	-175.8	58.8	41.1	0	0	111.7	D223 Y224 L225 L229 R230 D231	D223-Q227 WeakPolarHBondContact O-CB 3.29Å; D223-Q227 PolarHBondContact O-N 2.8Å; Y224-Q227 PolarHBondContact O-N 3.1Å; L225-Q227 VanDerWaalsContact C-N 3.34Å; L225-Q227 PolarHBondContact O-N 3.34Å; Q227-L229 VanDerWaalsContact C-N 3.27Å; Q227-L229 PolarHBondContact O-N 3.49Å; Q227-R230 CarbonylContact O-C 3.45Å; Q227-R230 WeakPolarHBondContact O-CA 3.29Å; Q227-R230 WeakPolarHBondContact O-CB 3.36Å; Q227-R230 PolarHBondContact O-N 3.08Å; Q227-D231 PolarHBondContact NE2-OD1 3.14Å; Q227-D231 PolarHBondContact NE2-OD2 3.45Å; Q227-D231 WeakPolarHBondContact O-CB 3.34Å; Q227-D231 PolarHBondContact O-N 3.23Å
228	M	62.6	Low	64.5	Low	40 Å²	40	83.1 Å²	83.1	20%	0.197	42%	0.42	C	S	.	.	H	α-helix	trans	-57.5	-42.4	175.8	-177.3	-170.3	77.4	0	0	111.1	Y224 L225 D231 L232 W263	Y224-M228 HydrophobicContact CE1-SD 4.34Å; Y224-M228 VanDerWaalsContact O-CB 3.28Å; Y224-M228 WeakPolarHBondContact O-CB 3.29Å; Y224-M228 PolarHBondContact O-N 3.37Å; L225-M228 HydrophobicContact CD1-CE 3.75Å; L225-M228 PolarHBondContact O-N 2.89Å; M228-D231 PolarHBondContact O-N 2.76Å; M228-L232 WeakPolarHBondContact O-CD1 3.29Å; M228-L232 WeakPolarHBondContact O-CG 3.42Å; M228-L232 PolarHBondContact O-N 3.35Å; M228-W263 HydrophobicContact CE-CH2 3.59Å; M228-W263 HydrophobicContact CE-CZ3 3.76Å; M228-W263 HydrophobicContact SD-CH2 4.03Å; M228-W263 HydrophobicContact SD-CZ3 3.71Å
229	L	59.6	Low	62.8	Low	29 Å²	29	83.4 Å²	83.4	15%	0.152	42%	0.424	C	S	.	.	H	α-helix	trans	-62.1	-42	174.3	-69.9	169.4	0	0	0	111.3	L225 L226 Q227 C234 L241	L225-L229 HydrophobicContact CD1-CD1 4.5Å; L225-L229 HydrophobicContact CG-CD1 4.13Å; L225-L229 WeakPolarHBondContact O-CB 3.44Å; L225-L229 WeakPolarHBondContact O-CG 3.3Å; L225-L229 PolarHBondContact O-N 2.96Å; L226-L229 HydrophobicContact CD2-CD1 4.46Å; L226-L229 PolarHBondContact O-N 2.58Å; Q227-L229 VanDerWaalsContact C-N 3.27Å; Q227-L229 PolarHBondContact O-N 3.49Å; L229-C234 WeakPolarHBondContact O-CB 3.13Å; L229-L241 HydrophobicContact CD1-CD1 4.23Å; L229-L241 HydrophobicContact CD1-CD2 4.41Å; L229-L241 HydrophobicContact CD2-CD1 4.34Å
230	R	58.1	Low	61.1	Low	161 Å²	161	86.1 Å²	86.1	61%	0.608	43%	0.433	S	S	*	.	H	α-helix	trans	-64.3	-46.9	174.8	-70.5	170.9	-168	-93.3	1.1	112.7	L226 Q227 L232 K233 C234	L226-R230 VanDerWaalsContact O-CG 3.29Å; L226-R230 WeakPolarHBondContact O-CG 3.37Å; L226-R230 PolarHBondContact O-N 3.48Å; Q227-R230 CarbonylContact O-C 3.45Å; Q227-R230 WeakPolarHBondContact O-CA 3.29Å; Q227-R230 WeakPolarHBondContact O-CB 3.36Å; Q227-R230 PolarHBondContact O-N 3.08Å; R230-L232 PolarHBondContact O-N 2.89Å; R230-K233 WeakPolarHBondContact O-CA 3.45Å; R230-K233 PolarHBondContact O-N 3.31Å; R230-C234 PolarHBondContact O-N 3Å
231	D	58.7	Low	59.8	Low	112 Å²	112	86.6 Å²	86.6	60%	0.599	44%	0.435	S	S	*	.	H	α-helix	trans	-65.9	-23.5	-175.7	-75.2	-23.2	0	0	0	113.4	Q227 M228 K233	Q227-D231 PolarHBondContact NE2-OD1 3.14Å; Q227-D231 PolarHBondContact NE2-OD2 3.45Å; Q227-D231 WeakPolarHBondContact O-CB 3.34Å; Q227-D231 PolarHBondContact O-N 3.23Å; M228-D231 PolarHBondContact O-N 2.76Å; D231-K233 PolarHBondContact O-N 2.86Å
232	L	56.7	Low	58.6	Low	119 Å²	119	86.9 Å²	86.9	62%	0.623	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	18.3	163.5	-73.5	161.6	0	0	0	113.3	M228 R230 C234	M228-L232 WeakPolarHBondContact O-CD1 3.29Å; M228-L232 WeakPolarHBondContact O-CG 3.42Å; M228-L232 PolarHBondContact O-N 3.35Å; R230-L232 PolarHBondContact O-N 2.89Å; L232-C234 VanDerWaalsContact C-N 3.3Å; L232-C234 PolarHBondContact O-N 3.24Å; L232-C234 PolarHBondContact O-SG 2.87Å; L232-C234 VanDerWaalsContact O-SG 3.38Å
233	K	53.1	Low	57.4	Low	184 Å²	184	86 Å²	86	80%	0.8	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	42.3	-175.4	-65	-176.2	177.3	178.8	0	112.6	R230 D231 S235	R230-K233 WeakPolarHBondContact O-CA 3.45Å; R230-K233 PolarHBondContact O-N 3.31Å; D231-K233 PolarHBondContact O-N 2.86Å; K233-S235 PolarHBondContact O-N 3.37Å
234	C	47.1	Very low	56.2	Low	13 Å²	13	81.5 Å²	81.5	9%	0.088	41%	0.412	C	S	.	.			trans	-101	74.7	178.3	-63.2	0	0	0	0	108.9	L229 R230 L232 Y236 L244	L229-C234 WeakPolarHBondContact O-CB 3.13Å; R230-C234 PolarHBondContact O-N 3Å; L232-C234 VanDerWaalsContact C-N 3.3Å; L232-C234 PolarHBondContact O-N 3.24Å; L232-C234 PolarHBondContact O-SG 2.87Å; L232-C234 VanDerWaalsContact O-SG 3.38Å; C234-Y236 VanDerWaalsContact CA-CD2 3.48Å; C234-Y236 HydrophobicContact CB-CD2 3.49Å; C234-Y236 VanDerWaalsContact CB-CD2 3.49Å; C234-Y236 HydrophobicContact CB-CE2 3.85Å; C234-Y236 HydrophobicContact CB-CG 4.5Å; C234-Y236 PolarHBondContact O-N 3.47Å; C234-L244 HydrophobicContact CB-CD2 4Å; C234-L244 WeakPolarHBondContact SG-CD2 3.48Å
235	S	48.7	Very low	55.2	Low	116 Å²	116	75.7 Å²	75.7	81%	0.811	39%	0.391	S	S	*	.			trans	-75.6	74.4	169.1	-62.8	0	0	0	0	108.7	K233	K233-S235 PolarHBondContact O-N 3.37Å
236	Y	47.1	Very low	54.5	Low	95 Å²	95	77.4 Å²	77.4	37%	0.373	40%	0.4	S	S	.	.			trans	-130.5	135.8	-167.6	-72.5	-40.3	0	0	0	111.7	C234 Q240 L244	C234-Y236 VanDerWaalsContact CA-CD2 3.48Å; C234-Y236 HydrophobicContact CB-CD2 3.49Å; C234-Y236 VanDerWaalsContact CB-CD2 3.49Å; C234-Y236 HydrophobicContact CB-CE2 3.85Å; C234-Y236 HydrophobicContact CB-CG 4.5Å; C234-Y236 PolarHBondContact O-N 3.47Å; Y236-Q240 VanDerWaalsContact CA-OE1 3.24Å; Y236-Q240 VanDerWaalsContact CB-CB 3.44Å; Y236-Q240 HydrophobicContact CD1-CB 3.7Å; Y236-Q240 VanDerWaalsContact CD1-CD 3.49Å; Y236-Q240 HydrophobicContact CD1-CG 4.07Å; Y236-Q240 HydrophobicContact CG-CB 3.62Å; Y236-Q240 HydrophobicContact CG-CG 4.47Å; Y236-L244 HydrophobicContact CD2-CB 4.49Å; Y236-L244 HydrophobicContact CE2-CD1 4.05Å
237	A	49.3	Very low	53.7	Low	70 Å²	70	81.8 Å²	81.8	58%	0.579	41%	0.412	S	S	*	.			trans	-64.6	156.9	165.3	0	0	0	0	0	109.6	G239 Q240 L241	A237-G239 PolarHBondContact O-N 3.02Å; A237-Q240 WeakPolarHBondContact O-CB 3.39Å; A237-Q240 PolarHBondContact O-N 2.83Å; A237-L241 PolarHBondContact O-N 3.15Å
238	E	49.3	Very low	52.7	Low	127 Å²	127	85.1 Å²	85.1	59%	0.593	43%	0.425	S	S	*	.	H	α-helix	trans	-42.7	-45.4	-174.6	-76.5	170.8	163.2	0	0	114	P103 Q240 L241	P103-E238 CarbonylContact O-C 3.2Å; E238-Q240 VanDerWaalsContact C-N 3.31Å; E238-Q240 PolarHBondContact O-N 3.15Å; E238-L241 WeakPolarHBondContact O-CB 3.29Å; E238-L241 PolarHBondContact O-N 2.75Å; E238-L241 VanDerWaalsContact O-N 3.14Å
239	G	50.4	Low	52	Low	33 Å²	33	85 Å²	85	34%	0.34	43%	0.427	S	S	.	.	H	α-helix	trans	-65.4	-27.4	179.6	0	0	0	0	0	115.4	A237 E243	A237-G239 PolarHBondContact O-N 3.02Å; G239-E243 PolarHBondContact O-N 2.98Å
240	Q	50.3	Low	51.5	Low	80 Å²	80	87 Å²	87	37%	0.374	44%	0.442	S	S	.	.	H	α-helix	trans	-79.6	-18.9	177.3	-75.5	169.5	-30.4	0	0	112.2	Y236 A237 E238 E243 L244	Y236-Q240 VanDerWaalsContact CA-OE1 3.24Å; Y236-Q240 VanDerWaalsContact CB-CB 3.44Å; Y236-Q240 HydrophobicContact CD1-CB 3.7Å; Y236-Q240 VanDerWaalsContact CD1-CD 3.49Å; Y236-Q240 HydrophobicContact CD1-CG 4.07Å; Y236-Q240 HydrophobicContact CG-CB 3.62Å; Y236-Q240 HydrophobicContact CG-CG 4.47Å; A237-Q240 WeakPolarHBondContact O-CB 3.39Å; A237-Q240 PolarHBondContact O-N 2.83Å; E238-Q240 VanDerWaalsContact C-N 3.31Å; E238-Q240 PolarHBondContact O-N 3.15Å; Q240-E243 PolarHBondContact O-N 3.45Å; Q240-L244 WeakPolarHBondContact O-CB 3.49Å; Q240-L244 PolarHBondContact O-N 3.31Å
241	L	53.1	Low	51	Low	34 Å²	34	82.6 Å²	82.6	18%	0.178	43%	0.431	C	S	.	.	H	α-helix	trans	-66.4	-43.9	172.7	-179.6	63.2	0	0	0	110.5	L229 A237 E238 L244 I245	L229-L241 HydrophobicContact CD1-CD1 4.23Å; L229-L241 HydrophobicContact CD1-CD2 4.41Å; L229-L241 HydrophobicContact CD2-CD1 4.34Å; A237-L241 PolarHBondContact O-N 3.15Å; E238-L241 WeakPolarHBondContact O-CB 3.29Å; E238-L241 PolarHBondContact O-N 2.75Å; E238-L241 VanDerWaalsContact O-N 3.14Å; L241-L244 HydrophobicContact CD1-CD2 4.47Å; L241-L244 PolarHBondContact O-N 3Å; L241-I245 HydrophobicContact CD1-CD1 4.48Å; L241-I245 HydrophobicContact CG-CD1 4.23Å; L241-I245 WeakPolarHBondContact O-CG1 3.39Å; L241-I245 PolarHBondContact O-N 2.96Å
242	C	53.5	Low	50.8	Low	30 Å²	30	78.3 Å²	78.3	20%	0.203	41%	0.407	C	S	.	.	H	α-helix	trans	-61.7	-44.8	173.3	-69.6	0	0	0	0	111.4	P103 L244 I245 D246	P103-C242 HydrophobicContact CB-CB 3.6Å; P103-C242 WeakPolarHBondContact CB-SG 3.29Å; C242-L244 VanDerWaalsContact C-N 3.28Å; C242-L244 PolarHBondContact O-N 3.2Å; C242-I245 PolarHBondContact O-N 3.28Å; C242-D246 VanDerWaalsContact O-CB 3.26Å; C242-D246 WeakPolarHBondContact O-CB 3.3Å; C242-D246 PolarHBondContact O-N 2.96Å
243	E	53.3	Low	50.4	Low	131 Å²	131	78 Å²	78	61%	0.612	40%	0.4	S	S	*	.	H	α-helix	trans	-59.8	-37.3	173.8	-80.2	-174.4	151.8	0	0	112.7	G239 Q240 D246 R247	G239-E243 PolarHBondContact O-N 2.98Å; Q240-E243 PolarHBondContact O-N 3.45Å; E243-D246 CarbonylContact O-C 3.47Å; E243-R247 WeakPolarHBondContact O-CB 3.4Å; E243-R247 PolarHBondContact O-N 3.02Å
244	L	49.9	Very low	50.2	Low	16 Å²	16	77 Å²	77	8%	0.084	39%	0.393	C	S	.	.	H	α-helix	trans	-70.6	-45.9	178.2	177.8	83	0	0	0	111.6	C234 Y236 Q240 L241 C242 D246 R247 K248	C234-L244 HydrophobicContact CB-CD2 4Å; C234-L244 WeakPolarHBondContact SG-CD2 3.48Å; Y236-L244 HydrophobicContact CD2-CB 4.49Å; Y236-L244 HydrophobicContact CE2-CD1 4.05Å; Q240-L244 WeakPolarHBondContact O-CB 3.49Å; Q240-L244 PolarHBondContact O-N 3.31Å; L241-L244 HydrophobicContact CD1-CD2 4.47Å; L241-L244 PolarHBondContact O-N 3Å; C242-L244 VanDerWaalsContact C-N 3.28Å; C242-L244 PolarHBondContact O-N 3.2Å; L244-D246 PolarHBondContact O-N 2.82Å; L244-R247 CarbonylContact O-C 2.98Å; L244-R247 WeakPolarHBondContact O-CA 3.5Å; L244-R247 PolarHBondContact O-N 3.46Å; L244-K248 HydrophobicContact CD1-CG 3.8Å; L244-K248 HydrophobicContact CG-CG 4.17Å; L244-K248 WeakPolarHBondContact O-CB 3.13Å; L244-K248 PolarHBondContact O-N 2.79Å
245	I	50.8	Low	50.3	Low	27 Å²	27	78.1 Å²	78.1	14%	0.138	40%	0.398	C	S	.	.	H	α-helix	trans	-54.4	-51.8	173.7	-71.8	172.1	0	0	0	107.3	L241 C242 R247 K248 C249 F252	L241-I245 HydrophobicContact CD1-CD1 4.48Å; L241-I245 HydrophobicContact CG-CD1 4.23Å; L241-I245 WeakPolarHBondContact O-CG1 3.39Å; L241-I245 PolarHBondContact O-N 2.96Å; C242-I245 PolarHBondContact O-N 3.28Å; I245-R247 PolarHBondContact O-N 2.99Å; I245-K248 PolarHBondContact O-N 3.5Å; I245-C249 CarbonylContact C-O 3.59Å; I245-C249 CarbonylContact O-C 3.59Å; I245-C249 VanDerWaalsContact O-CA 3.31Å; I245-C249 WeakPolarHBondContact O-CA 3.49Å; I245-C249 PolarHBondContact O-N 2.72Å; I245-F252 HydrophobicContact CG2-CB 3.47Å; I245-F252 VanDerWaalsContact CG2-CB 3.47Å; I245-F252 HydrophobicContact CG2-CD1 3.31Å; I245-F252 HydrophobicContact CG2-CD2 3.96Å; I245-F252 HydrophobicContact CG2-CE1 3.92Å; I245-F252 HydrophobicContact CG2-CE2 4.5Å; I245-F252 HydrophobicContact CG2-CG 3.3Å; I245-F252 HydrophobicContact CG2-CZ 4.45Å
246	D	55.9	Low	50.4	Low	55 Å²	55	80 Å²	80	29%	0.294	39%	0.394	S	S	.	.	H	α-helix	trans	-61.8	-13.5	175	-67.3	-19.1	0	0	0	114.1	C242 E243 L244 P250 K253	C242-D246 VanDerWaalsContact O-CB 3.26Å; C242-D246 WeakPolarHBondContact O-CB 3.3Å; C242-D246 PolarHBondContact O-N 2.96Å; E243-D246 CarbonylContact O-C 3.47Å; L244-D246 PolarHBondContact O-N 2.82Å; D246-P250 WeakPolarHBondContact O-CA 3.43Å; D246-P250 WeakPolarHBondContact O-CB 3.4Å; D246-P250 WeakPolarHBondContact O-CG 3.47Å; D246-K253 WeakPolarHBondContact OD1-CE 3.46Å; D246-K253 IonicContact OD1-NZ 2.61Å; D246-K253 PolarHBondContact OD1-NZ 2.91Å; D246-K253 IonicContact OD2-NZ 3.17Å; D246-K253 PolarHBondContact OD2-NZ 3.43Å
247	R	52.7	Low	50.4	Low	157 Å²	157	82.7 Å²	82.7	59%	0.592	41%	0.411	S	S	*	.	H	α-helix	trans	-101.5	-40.1	178.4	-168.1	-176.2	83.3	178.5	3.7	113.2	E243 L244 I245	E243-R247 WeakPolarHBondContact O-CB 3.4Å; E243-R247 PolarHBondContact O-N 3.02Å; L244-R247 CarbonylContact O-C 2.98Å; L244-R247 WeakPolarHBondContact O-CA 3.5Å; L244-R247 PolarHBondContact O-N 3.46Å; I245-R247 PolarHBondContact O-N 2.99Å
248	K	47.2	Very low	50.5	Low	159 Å²	159	83.2 Å²	83.2	69%	0.691	41%	0.405	S	S	*	.	H	α-helix	trans	-89.9	-30	-176.8	-75.4	-65.5	-169.8	178.6	0	112	L244 I245	L244-K248 HydrophobicContact CD1-CG 3.8Å; L244-K248 HydrophobicContact CG-CG 4.17Å; L244-K248 WeakPolarHBondContact O-CB 3.13Å; L244-K248 PolarHBondContact O-N 2.79Å; I245-K248 PolarHBondContact O-N 3.5Å
249	C	47.3	Very low	50.5	Low	36 Å²	36	82 Å²	82	24%	0.243	40%	0.402	C	S	.	.	S	Bend	trans	-135.9	70.5	170.2	-170.8	0	0	0	0	106.4	I245 D251 F252	I245-C249 CarbonylContact C-O 3.59Å; I245-C249 CarbonylContact O-C 3.59Å; I245-C249 VanDerWaalsContact O-CA 3.31Å; I245-C249 WeakPolarHBondContact O-CA 3.49Å; I245-C249 PolarHBondContact O-N 2.72Å; C249-D251 WeakPolarHBondContact CA-OD1 3.25Å; C249-D251 PolarHBondContact O-N 3.18Å; C249-D251 VanDerWaalsContact O-N 3.14Å; C249-D251 PolarHBondContact SG-OD1 3.12Å; C249-F252 HydrophobicContact CB-CB 3.96Å; C249-F252 HydrophobicContact CB-CD2 4.48Å; C249-F252 WeakPolarHBondContact O-CA 3.28Å; C249-F252 WeakPolarHBondContact O-CB 3.38Å; C249-F252 PolarHBondContact O-N 3.29Å; C249-F252 VanDerWaalsContact SG-CA 3.59Å
250	P	48.7	Very low	50.7	Low	72 Å²	72	81.7 Å²	81.7	47%	0.468	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.1	-177.9	-18.3	30	0	0	0	113.7	D246 F252	D246-P250 WeakPolarHBondContact O-CA 3.43Å; D246-P250 WeakPolarHBondContact O-CB 3.4Å; D246-P250 WeakPolarHBondContact O-CG 3.47Å; P250-F252 VanDerWaalsContact C-N 3.28Å
251	D	48.5	Very low	50.7	Low	69 Å²	69	80.1 Å²	80.1	37%	0.369	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	0.4	171.4	56.6	-19	0	0	0	113.4	C249 K253 Y254 L255	C249-D251 WeakPolarHBondContact CA-OD1 3.25Å; C249-D251 PolarHBondContact O-N 3.18Å; C249-D251 VanDerWaalsContact O-N 3.14Å; C249-D251 PolarHBondContact SG-OD1 3.12Å; D251-K253 PolarHBondContact O-N 2.69Å; D251-Y254 CarbonylContact O-C 3.59Å; D251-Y254 WeakPolarHBondContact O-CA 3.26Å; D251-Y254 PolarHBondContact O-N 2.79Å; D251-L255 HydrophobicContact CB-CD2 4.05Å; D251-L255 WeakPolarHBondContact O-CD2 3.34Å; D251-L255 VanDerWaalsContact O-CG 3.25Å; D251-L255 WeakPolarHBondContact O-CG 3.39Å; D251-L255 PolarHBondContact O-N 3.48Å; D251-L255 WeakPolarHBondContact OD2-CD2 3.47Å
252	F	52.8	Low	50.6	Low	22 Å²	22	87.7 Å²	87.7	10%	0.096	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-37.4	-177.3	-177.1	-99.9	0	0	0	113.7	K139 D144 L145 I245 C249 P250 L255	K139-F252 PolarHBondContact NZ-O 3.26Å; D144-F252 HydrophobicContact CB-CE1 4.1Å; D144-F252 WeakPolarHBondContact O-CE1 3.29Å; D144-F252 WeakPolarHBondContact O-CZ 3.42Å; L145-F252 HydrophobicContact CD2-CE2 3.81Å; L145-F252 HydrophobicContact CD2-CZ 3.49Å; L145-F252 VanDerWaalsContact CD2-CZ 3.49Å; L145-F252 HydrophobicContact CG-CZ 4.06Å; I245-F252 HydrophobicContact CG2-CB 3.47Å; I245-F252 VanDerWaalsContact CG2-CB 3.47Å; I245-F252 HydrophobicContact CG2-CD1 3.31Å; I245-F252 HydrophobicContact CG2-CD2 3.96Å; I245-F252 HydrophobicContact CG2-CE1 3.92Å; I245-F252 HydrophobicContact CG2-CE2 4.5Å; I245-F252 HydrophobicContact CG2-CG 3.3Å; I245-F252 HydrophobicContact CG2-CZ 4.45Å; C249-F252 HydrophobicContact CB-CB 3.96Å; C249-F252 HydrophobicContact CB-CD2 4.48Å; C249-F252 WeakPolarHBondContact O-CA 3.28Å; C249-F252 WeakPolarHBondContact O-CB 3.38Å; C249-F252 PolarHBondContact O-N 3.29Å; C249-F252 VanDerWaalsContact SG-CA 3.59Å; P250-F252 VanDerWaalsContact C-N 3.28Å; F252-L255 HydrophobicContact CD2-CD1 4.42Å
253	K	48.7	Very low	50.3	Low	111 Å²	111	93.6 Å²	93.6	48%	0.483	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-21.6	174.7	-61.5	172.3	177.7	161.3	0	112.7	D246 D251	D246-K253 WeakPolarHBondContact OD1-CE 3.46Å; D246-K253 IonicContact OD1-NZ 2.61Å; D246-K253 PolarHBondContact OD1-NZ 2.91Å; D246-K253 IonicContact OD2-NZ 3.17Å; D246-K253 PolarHBondContact OD2-NZ 3.43Å; D251-K253 PolarHBondContact O-N 2.69Å
254	Y	49.9	Very low	50.4	Low	165 Å²	165	88.4 Å²	88.4	65%	0.647	42%	0.418	S	S	*	.			trans	-114.2	18.8	-175.9	-51	-67.8	0	0	0	112.9	D251 Q256	D251-Y254 CarbonylContact O-C 3.59Å; D251-Y254 WeakPolarHBondContact O-CA 3.26Å; D251-Y254 PolarHBondContact O-N 2.79Å; Y254-Q256 WeakPolarHBondContact O-CG 3.44Å; Y254-Q256 PolarHBondContact O-N 2.91Å
255	L	49.5	Very low	50.4	Low	35 Å²	35	89.9 Å²	89.9	18%	0.183	43%	0.429	C	S	.	.			trans	-67.1	85.2	175.1	-67.4	-178.5	0	0	0	106.2	D251 F252 M257 D259	D251-L255 HydrophobicContact CB-CD2 4.05Å; D251-L255 WeakPolarHBondContact O-CD2 3.34Å; D251-L255 VanDerWaalsContact O-CG 3.25Å; D251-L255 WeakPolarHBondContact O-CG 3.39Å; D251-L255 PolarHBondContact O-N 3.48Å; D251-L255 WeakPolarHBondContact OD2-CD2 3.47Å; F252-L255 HydrophobicContact CD2-CD1 4.42Å; L255-M257 VanDerWaalsContact C-N 3.26Å; L255-D259 HydrophobicContact CD2-CB 4.09Å
256	Q	49.2	Very low	50.4	Low	157 Å²	157	89.1 Å²	89.1	73%	0.734	43%	0.425	S	S	*	.			trans	-80.1	-20.8	178.6	-72.8	-178.1	5.6	0	0	110.2	Q136 Y254	Q136-Q256 PolarHBondContact NE2-O 3.26Å; Y254-Q256 WeakPolarHBondContact O-CG 3.44Å; Y254-Q256 PolarHBondContact O-N 2.91Å
257	M	47.3	Very low	50.4	Low	150 Å²	150	89 Å²	89	74%	0.739	43%	0.431	S	S	*	.	S	Bend	trans	-121.8	158.5	176.1	-69	-171.2	59.4	0	0	110.4	L255 D259	L255-M257 VanDerWaalsContact C-N 3.26Å; M257-D259 PolarHBondContact O-N 3.43Å
258	D	51.3	Low	50.5	Low	81 Å²	81	83.1 Å²	83.1	43%	0.433	42%	0.416	S	S	.	.	S	Bend	trans	-66.6	62.4	-168.4	-160	14.3	0	0	0	113.3	R132	R132-D258 IonicContact CZ-OD2 2.74Å; R132-D258 IonicContact NE-OD2 3.99Å; R132-D258 PolarHBondContact NE-OD2 3.19Å; R132-D258 IonicContact NH2-OD2 3.69Å; R132-D258 PolarHBondContact NH2-OD2 3.21Å
259	D	49.7	Very low	51.1	Low	101 Å²	101	80.8 Å²	80.8	54%	0.54	42%	0.417	S	S	.	.			trans	-103.1	15.9	178.9	-56.7	-41.2	0	0	0	112.2	L255 M257 P261	L255-D259 HydrophobicContact CD2-CB 4.09Å; M257-D259 PolarHBondContact O-N 3.43Å; D259-P261 VanDerWaalsContact O-CD 3.23Å; D259-P261 WeakPolarHBondContact O-CD 3.28Å
260	D	54.3	Low	51.8	Low	27 Å²	27	81.3 Å²	81.3	14%	0.144	42%	0.416	C	S	.	.	S	Bend	trans	-54.3	118	164.5	-89.4	-31.9	0	0	0	106.2	R135 E262 L264	R135-D260 IonicContact CZ-OD2 2.71Å; R135-D260 IonicContact NE-OD2 3.88Å; R135-D260 IonicContact NH1-OD2 2.88Å; R135-D260 PolarHBondContact NH1-OD2 3.28Å; D260-E262 PolarHBondContact O-N 2.99Å; D260-L264 HydrophobicContact CB-CD1 3.98Å
261	P	52	Low	52.7	Low	47 Å²	47	82.7 Å²	82.7	31%	0.305	41%	0.413	S	S	.	.			trans	-56.8	135.8	-165.3	-25.6	28.9	0	0	0	111.4	D259 W263 L264	D259-P261 VanDerWaalsContact O-CD 3.23Å; D259-P261 WeakPolarHBondContact O-CD 3.28Å; P261-W263 HydrophobicContact CB-CD2 3.95Å; P261-W263 VanDerWaalsContact CB-CE2 3.4Å; P261-W263 HydrophobicContact CB-CG 3.84Å; P261-W263 HydrophobicContact CB-CZ2 4.03Å; P261-W263 HydrophobicContact CG-CZ2 3.84Å; P261-W263 PolarHBondContact O-N 3.23Å; P261-L264 WeakPolarHBondContact O-CB 3.3Å; P261-L264 PolarHBondContact O-N 3.47Å
262	E	49.6	Very low	53.8	Low	193 Å²	193	88.2 Å²	88.2	90%	0.902	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-24.6	178.1	-71.4	-176.7	165.3	0	0	112.7	D260 L264	D260-E262 PolarHBondContact O-N 2.99Å; E262-L264 VanDerWaalsContact C-N 3.32Å; E262-L264 PolarHBondContact O-N 2.92Å
263	W	48.5	Very low	55	Low	155 Å²	155	87.9 Å²	87.9	59%	0.587	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-13.5	177.8	64.1	-105.3	0	0	0	114.9	M228 P261 P265	M228-W263 HydrophobicContact CE-CH2 3.59Å; M228-W263 HydrophobicContact CE-CZ3 3.76Å; M228-W263 HydrophobicContact SD-CH2 4.03Å; M228-W263 HydrophobicContact SD-CZ3 3.71Å; P261-W263 HydrophobicContact CB-CD2 3.95Å; P261-W263 VanDerWaalsContact CB-CE2 3.4Å; P261-W263 HydrophobicContact CB-CG 3.84Å; P261-W263 HydrophobicContact CB-CZ2 4.03Å; P261-W263 HydrophobicContact CG-CZ2 3.84Å; P261-W263 PolarHBondContact O-N 3.23Å; W263-P265 WeakPolarHBondContact O-CD 3.45Å; W263-P265 VanDerWaalsContact O-N 3.16Å
264	L	54.2	Low	56.4	Low	21 Å²	21	85.6 Å²	85.6	11%	0.11	43%	0.425	C	S	.	.	S	Bend	trans	-60	123.4	175.6	-82.7	164.4	0	0	0	107.5	D260 P261 E262 F266 A267	D260-L264 HydrophobicContact CB-CD1 3.98Å; P261-L264 WeakPolarHBondContact O-CB 3.3Å; P261-L264 PolarHBondContact O-N 3.47Å; E262-L264 VanDerWaalsContact C-N 3.32Å; E262-L264 PolarHBondContact O-N 2.92Å; L264-F266 HydrophobicContact CB-CD2 4.42Å; L264-F266 HydrophobicContact CD2-CD2 4.14Å; L264-F266 PolarHBondContact O-N 3.43Å; L264-A267 PolarHBondContact O-N 2.8Å
265	P	49.6	Very low	57.6	Low	47 Å²	47	79.9 Å²	79.9	31%	0.305	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-0.4	-179.5	24.1	-32.5	0	0	0	113.4	F151 W263	F151-P265 HydrophobicContact CD1-CB 4.43Å; F151-P265 HydrophobicContact CD2-CB 4.03Å; F151-P265 HydrophobicContact CE1-CB 4.48Å; F151-P265 HydrophobicContact CE2-CB 4.1Å; F151-P265 HydrophobicContact CG-CB 4.2Å; F151-P265 HydrophobicContact CZ-CB 4.33Å; W263-P265 WeakPolarHBondContact O-CD 3.45Å; W263-P265 VanDerWaalsContact O-N 3.16Å
266	F	52.4	Low	58.8	Low	12 Å²	12	79 Å²	79	5%	0.053	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-4.2	-177.4	-52	-67.7	0	0	0	113.6	L147 D148 F151 I220 L264 A268	L147-F266 HydrophobicContact CB-CB 4.46Å; L147-F266 HydrophobicContact CB-CD1 4Å; L147-F266 HydrophobicContact CB-CD2 4.31Å; L147-F266 HydrophobicContact CB-CE1 4.27Å; L147-F266 HydrophobicContact CB-CG 3.99Å; L147-F266 HydrophobicContact CD1-CD2 4.34Å; L147-F266 HydrophobicContact CD1-CE1 4.28Å; L147-F266 HydrophobicContact CD1-CE2 3.86Å; L147-F266 HydrophobicContact CD1-CZ 3.82Å; L147-F266 HydrophobicContact CD2-CD2 3.63Å; L147-F266 HydrophobicContact CD2-CE2 3.9Å; L147-F266 HydrophobicContact CD2-CG 4.1Å; L147-F266 HydrophobicContact CG-CD2 4.3Å; L147-F266 HydrophobicContact CG-CE2 4.32Å; L147-F266 HydrophobicContact CG-CG 4.48Å; D148-F266 HydrophobicContact CB-CB 4.36Å; D148-F266 VanDerWaalsContact CB-O 3.28Å; D148-F266 WeakPolarHBondContact CB-O 3.38Å; D148-F266 VanDerWaalsContact O-CD1 3.24Å; D148-F266 WeakPolarHBondContact O-CD1 3.39Å; F151-F266 HydrophobicContact CB-CD1 4.11Å; F151-F266 HydrophobicContact CB-CE1 4.2Å; F151-F266 HydrophobicContact CD1-CE1 4.25Å; I220-F266 HydrophobicContact CG2-CZ 4.14Å; L264-F266 HydrophobicContact CB-CD2 4.42Å; L264-F266 HydrophobicContact CD2-CD2 4.14Å; L264-F266 PolarHBondContact O-N 3.43Å; F266-A268 PolarHBondContact O-N 3.43Å
267	A	54.3	Low	59.8	Low	51 Å²	51	72.6 Å²	72.6	42%	0.421	39%	0.389	S	S	.	.			trans	-85.3	15	174.4	0	0	0	0	0	113.3	L264	L264-A267 PolarHBondContact O-N 2.8Å
268	A	55.3	Low	60.9	Low	35 Å²	35	69.3 Å²	69.3	29%	0.289	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-57.6	144.5	-179	0	0	0	0	0	111.2	F266 Q270	F266-A268 PolarHBondContact O-N 3.43Å; A268-Q270 PolarHBondContact O-N 2.78Å
269	P	59.1	Low	62.1	Low	109 Å²	109	65.6 Å²	65.6	71%	0.708	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-54	134.7	174.3	21.1	-30.9	0	0	0	109.3	Y271	P269-Y271 VanDerWaalsContact O-CD1 3.24Å; P269-Y271 WeakPolarHBondContact O-CD1 3.12Å; P269-Y271 PolarHBondContact O-N 2.81Å
270	Q	62.9	Low	63.8	Low	48 Å²	48	60.9 Å²	60.9	22%	0.224	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-68.4	121.9	179.7	-64.5	-170.7	48.4	0	0	109.8	K116 M127 E131 A268	K116-Q270 VanDerWaalsContact CE-CD 3.49Å; K116-Q270 VanDerWaalsContact NZ-CD 3.3Å; M127-Q270 PolarHBondContact O-NE2 2.83Å; E131-Q270 PolarHBondContact OE2-NE2 2.69Å; A268-Q270 PolarHBondContact O-N 2.78Å
271	Y	67	Low	65.6	Low	100 Å²	100	61.4 Å²	61.4	39%	0.392	34%	0.337	S	S	.	.			trans	-139.7	160.2	172.8	68.2	-88.2	0	0	0	111.1	T150 N154 P269 H273	T150-Y271 HydrophobicContact CG2-CE1 3.88Å; N154-Y271 PolarHBondContact ND2-OH 3.02Å; N154-Y271 PolarHBondContact OD1-OH 3.09Å; P269-Y271 VanDerWaalsContact O-CD1 3.24Å; P269-Y271 WeakPolarHBondContact O-CD1 3.12Å; P269-Y271 PolarHBondContact O-N 2.81Å; Y271-H273 AromaticContact CE2-NE2 3.97Å
272	R	72.9	Confident	67.6	Low	186 Å²	186	59.9 Å²	59.9	70%	0.702	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-96	130.7	171.6	177.7	176.3	170.3	150.8	-9.5	108.6
273	H	78	Confident	69.7	Low	15 Å²	15	51 Å²	51	7%	0.069	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-56.6	141.3	169	-64.5	93.5	0	0	0	110.5	R153 N154 L157 Y271	R153-H273 PolarHBondContact NH2-ND1 2.88Å; R153-H273 VanDerWaalsContact NH2-ND1 3.15Å; N154-H273 PolarHBondContact OD1-NE2 3.06Å; L157-H273 WeakPolarHBondContact CD1-CD2 3.43Å; Y271-H273 AromaticContact CE2-NE2 3.97Å
274	S	78.5	Confident	71.9	Confident	63 Å²	63	46.7 Å²	46.7	44%	0.441	27%	0.271	S	S	.	.	S	Bend	trans	-61.5	158.5	175.8	48.5	0	0	0	0	112	S276 G280 D283	S274-S276 VanDerWaalsContact C-N 3.27Å; S274-S276 PolarHBondContact O-N 3.3Å; S274-G280 WeakPolarHBondContact O-CA 3.42Å; S274-D283 VanDerWaalsContact CB-OD1 3.25Å; S274-D283 WeakPolarHBondContact CB-OD1 3.17Å; S274-D283 WeakPolarHBondContact O-CB 3.16Å; S274-D283 PolarHBondContact OG-OD1 3.47Å
275	G	73.9	Confident	73.9	Confident	45 Å²	45	46.1 Å²	46.1	46%	0.464	27%	0.268	S	S	.	.	S	Bend	trans	79.1	-43	176.3	0	0	0	0	0	115.9	D283	G275-D283 WeakPolarHBondContact CA-OD2 3.49Å
276	S	74.7	Confident	76.1	Confident	15 Å²	15	44 Å²	44	11%	0.105	25%	0.254	C	S	.	.			trans	-151.8	153.2	177.9	73.4	0	0	0	0	115.1	S274 S278 G280	S274-S276 VanDerWaalsContact C-N 3.27Å; S274-S276 PolarHBondContact O-N 3.3Å; S276-S278 PolarHBondContact O-N 3.14Å; S276-G280 PolarHBondContact OG-N 3.41Å
277	G	69.7	Low	78.2	Confident	23 Å²	23	45.8 Å²	45.8	24%	0.237	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18	172.2	0	0	0	0	0	112.9	Q114	Q114-G277 WeakPolarHBondContact CG-O 3.34Å; Q114-G277 PolarHBondContact NE2-O 3.3Å
278	S	70.3	Confident	80.3	Confident	82 Å²	82	46.3 Å²	46.3	57%	0.573	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	3.3	-175.6	-52.4	0	0	0	0	114.2	S276	S276-S278 PolarHBondContact O-N 3.14Å
279	G	76.8	Confident	82.3	Confident	3 Å²	3	44.6 Å²	44.6	3%	0.031	24%	0.239	C	C	.	.			trans	125.3	-0.8	173.8	0	0	0	0	0	116.2	Y281	G279-Y281 VanDerWaalsContact C-N 3.25Å; G279-Y281 PolarHBondContact O-N 2.9Å
280	G	86.9	Confident	84.2	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.01	21%	0.206	C	C	.	.			trans	65.3	21.2	169.5	0	0	0	0	0	115.8	S274 S276 L282 D283 F284	S274-G280 WeakPolarHBondContact O-CA 3.42Å; S276-G280 PolarHBondContact OG-N 3.41Å; G280-L282 PolarHBondContact O-N 2.79Å; G280-D283 WeakPolarHBondContact O-CB 3.29Å; G280-D283 PolarHBondContact O-N 3.18Å; G280-D283 VanDerWaalsContact O-N 3.15Å; G280-F284 WeakPolarHBondContact O-CB 3.17Å; G280-F284 PolarHBondContact O-N 2.87Å
281	Y	91.5	Very high	85.8	Confident	39 Å²	39	41.6 Å²	41.6	15%	0.153	21%	0.214	C	C	.	.	H	α-helix	trans	-53.6	-52.7	-175.6	-81.4	-102.3	0	0	0	113	S156 L157 T160 C185 P213 G279 D283 F284 V285	S156-Y281 PolarHBondContact OG-OH 2.65Å; S156-Y281 VanDerWaalsContact OG-OH 3.07Å; L157-Y281 HydrophobicContact CD2-CD1 3.69Å; L157-Y281 HydrophobicContact CD2-CD2 3.81Å; L157-Y281 HydrophobicContact CD2-CE1 3.98Å; L157-Y281 HydrophobicContact CD2-CE2 4.06Å; L157-Y281 HydrophobicContact CD2-CG 3.61Å; T160-Y281 HydrophobicContact CG2-CD1 4.33Å; C185-Y281 WeakPolarHBondContact SG-CD1 3.4Å; P213-Y281 WeakPolarHBondContact CD-OH 2.78Å; G279-Y281 VanDerWaalsContact C-N 3.25Å; G279-Y281 PolarHBondContact O-N 2.9Å; Y281-D283 VanDerWaalsContact C-N 3.35Å; Y281-D283 PolarHBondContact O-N 2.96Å; Y281-F284 PolarHBondContact O-N 2.8Å; Y281-V285 VanDerWaalsContact O-CB 3.28Å; Y281-V285 WeakPolarHBondContact O-CB 3.42Å; Y281-V285 WeakPolarHBondContact O-CG2 3.37Å; Y281-V285 PolarHBondContact O-N 3.43Å
282	L	93.4	Very high	87.3	Confident	14 Å²	14	41 Å²	41	7%	0.073	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-45.2	178.7	-179.2	154.4	0	0	0	111.1	G280 F284 V285 F286 Y303 V314 M326 L328	G280-L282 PolarHBondContact O-N 2.79Å; L282-F284 PolarHBondContact O-N 3.22Å; L282-V285 PolarHBondContact O-N 2.62Å; L282-F286 HydrophobicContact CD2-CB 4.4Å; L282-F286 WeakPolarHBondContact O-CB 3.4Å; L282-F286 PolarHBondContact O-N 2.84Å; L282-Y303 HydrophobicContact CD2-CE1 3.7Å; L282-V314 HydrophobicContact CD1-CG2 3.96Å; L282-V314 HydrophobicContact CD2-CB 4.26Å; L282-V314 HydrophobicContact CD2-CG1 3.8Å; L282-V314 HydrophobicContact CD2-CG2 3.48Å; L282-V314 VanDerWaalsContact CD2-CG2 3.48Å; L282-V314 HydrophobicContact CG-CG2 4.06Å; L282-M326 HydrophobicContact CD1-CB 3.83Å; L282-M326 HydrophobicContact CG-CB 4.11Å; L282-L328 HydrophobicContact CB-CD2 3.63Å; L282-L328 HydrophobicContact CB-CG 4.11Å; L282-L328 HydrophobicContact CD1-CD2 4.04Å; L282-L328 HydrophobicContact CD1-CG 3.74Å; L282-L328 HydrophobicContact CG-CD2 4.42Å; L282-L328 HydrophobicContact CG-CG 4.43Å
283	D	93.9	Very high	88.5	Confident	8 Å²	8	33.9 Å²	33.9	4%	0.043	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-50.2	-179	-163.2	-89.2	0	0	0	111.7	S274 G275 G280 Y281 K287 I301 Y303	S274-D283 VanDerWaalsContact CB-OD1 3.25Å; S274-D283 WeakPolarHBondContact CB-OD1 3.17Å; S274-D283 WeakPolarHBondContact O-CB 3.16Å; S274-D283 PolarHBondContact OG-OD1 3.47Å; G275-D283 WeakPolarHBondContact CA-OD2 3.49Å; G280-D283 WeakPolarHBondContact O-CB 3.29Å; G280-D283 PolarHBondContact O-N 3.18Å; G280-D283 VanDerWaalsContact O-N 3.15Å; Y281-D283 VanDerWaalsContact C-N 3.35Å; Y281-D283 PolarHBondContact O-N 2.96Å; D283-K287 WeakPolarHBondContact O-CB 3.41Å; D283-K287 WeakPolarHBondContact O-CG 3.24Å; D283-K287 PolarHBondContact O-N 2.87Å; D283-K287 VanDerWaalsContact O-N 3.1Å; D283-K287 WeakPolarHBondContact OD1-CE 3.3Å; D283-K287 IonicContact OD1-NZ 3.92Å; D283-K287 PolarHBondContact OD1-NZ 3.41Å; D283-K287 IonicContact OD2-NZ 3.97Å; D283-I301 HydrophobicContact CB-CD1 4.19Å; D283-I301 WeakPolarHBondContact OD2-CD1 3.34Å; D283-Y303 PolarHBondContact OD2-OH 2.99Å
284	F	94.3	Very high	89.4	Confident	64 Å²	64	35.5 Å²	35.5	28%	0.281	20%	0.198	S	C	.	.	H	α-helix	trans	-64.6	-53.1	179.8	-176.1	-85.4	0	0	0	111.5	L157 I158 G280 Y281 L282 F286 K287 Y288	L157-F284 VanDerWaalsContact C-CE1 3.47Å; L157-F284 HydrophobicContact CB-CD1 3.77Å; L157-F284 HydrophobicContact CB-CD2 4.31Å; L157-F284 HydrophobicContact CB-CE1 4.04Å; L157-F284 HydrophobicContact CB-CG 3.92Å; L157-F284 HydrophobicContact CB-CZ 4.42Å; L157-F284 HydrophobicContact CD1-CB 4.32Å; L157-F284 HydrophobicContact CD1-CD2 4.36Å; L157-F284 HydrophobicContact CD1-CG 4.28Å; L157-F284 HydrophobicContact CD2-CB 4.16Å; L157-F284 HydrophobicContact CD2-CG 4.46Å; L157-F284 HydrophobicContact CG-CG 4.47Å; L157-F284 WeakPolarHBondContact O-CD1 3.39Å; L157-F284 VanDerWaalsContact O-CE1 3.26Å; L157-F284 WeakPolarHBondContact O-CE1 3.4Å; I158-F284 HydrophobicContact CG1-CE1 4.39Å; I158-F284 HydrophobicContact CG1-CZ 3.8Å; G280-F284 WeakPolarHBondContact O-CB 3.17Å; G280-F284 PolarHBondContact O-N 2.87Å; Y281-F284 PolarHBondContact O-N 2.8Å; L282-F284 PolarHBondContact O-N 3.22Å; F284-F286 VanDerWaalsContact C-N 3.29Å; F284-F286 PolarHBondContact O-N 3.47Å; F284-K287 PolarHBondContact O-N 2.86Å; F284-Y288 HydrophobicContact CE1-CD2 4.34Å; F284-Y288 HydrophobicContact CE1-CG 4.36Å; F284-Y288 HydrophobicContact CZ-CD2 4.41Å; F284-Y288 WeakPolarHBondContact O-CB 3.46Å; F284-Y288 PolarHBondContact O-N 2.61Å
285	V	95.8	Very high	90.2	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-37.8	-175.9	176.2	0	0	0	0	110.6	T160 F164 Y281 L282 A289 M326	T160-V285 HydrophobicContact CG2-CG2 3.69Å; F164-V285 HydrophobicContact CB-CG1 3.71Å; F164-V285 HydrophobicContact CD1-CG1 4.36Å; F164-V285 HydrophobicContact CD2-CG1 4.13Å; F164-V285 HydrophobicContact CG-CG1 3.8Å; Y281-V285 VanDerWaalsContact O-CB 3.28Å; Y281-V285 WeakPolarHBondContact O-CB 3.42Å; Y281-V285 WeakPolarHBondContact O-CG2 3.37Å; Y281-V285 PolarHBondContact O-N 3.43Å; L282-V285 PolarHBondContact O-N 2.62Å; V285-A289 WeakPolarHBondContact O-CB 3.47Å; V285-A289 PolarHBondContact O-N 3.38Å; V285-M326 HydrophobicContact CG1-CE 3.79Å; V285-M326 HydrophobicContact CG1-SD 4.23Å
286	F	96.9	Very high	91.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-47.6	177.8	-172.5	-98.5	0	0	0	112.1	L282 F284 A289 A290 L298 I301 V314 Y315 L316 L324 M326	L282-F286 HydrophobicContact CD2-CB 4.4Å; L282-F286 WeakPolarHBondContact O-CB 3.4Å; L282-F286 PolarHBondContact O-N 2.84Å; F284-F286 VanDerWaalsContact C-N 3.29Å; F284-F286 PolarHBondContact O-N 3.47Å; F286-A289 PolarHBondContact O-N 2.79Å; F286-A290 WeakPolarHBondContact O-CB 3.47Å; F286-A290 PolarHBondContact O-N 3.04Å; F286-L298 HydrophobicContact CD1-CD1 3.81Å; F286-L298 HydrophobicContact CE1-CD1 3.42Å; F286-L298 VanDerWaalsContact CE1-CD1 3.42Å; F286-L298 HydrophobicContact CZ-CD1 4.42Å; F286-I301 HydrophobicContact CB-CD1 4.11Å; F286-I301 HydrophobicContact CD1-CD1 3.65Å; F286-I301 HydrophobicContact CD1-CG1 3.93Å; F286-I301 HydrophobicContact CD1-CG2 4.16Å; F286-I301 HydrophobicContact CE1-CG1 4.38Å; F286-I301 HydrophobicContact CE1-CG2 4.17Å; F286-I301 HydrophobicContact CG-CD1 4.27Å; F286-V314 HydrophobicContact CD1-CG2 4.49Å; F286-V314 HydrophobicContact CD2-CG2 3.57Å; F286-V314 HydrophobicContact CE2-CB 4.43Å; F286-V314 HydrophobicContact CE2-CG2 3.79Å; F286-V314 HydrophobicContact CG-CG2 3.96Å; F286-V314 HydrophobicContact CZ-CG2 4.33Å; F286-Y315 WeakPolarHBondContact CZ-O 3.19Å; F286-L316 HydrophobicContact CE2-CB 4.18Å; F286-L316 HydrophobicContact CZ-CB 3.74Å; F286-L324 HydrophobicContact CE2-CB 4Å; F286-L324 HydrophobicContact CE2-CD1 4.48Å; F286-M326 HydrophobicContact CB-CE 4.38Å; F286-M326 HydrophobicContact CB-SD 3.71Å; F286-M326 HydrophobicContact CD2-CB 4.41Å; F286-M326 HydrophobicContact CD2-CE 4.23Å; F286-M326 HydrophobicContact CD2-CG 4.06Å; F286-M326 HydrophobicContact CD2-SD 3.76Å; F286-M326 HydrophobicContact CG-SD 4.24Å
287	K	97	Very high	92.4	Very high	49 Å²	49	46 Å²	46	21%	0.213	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-45.7	175.4	-75	172	174	171	0	112.1	D283 F284 A289 A290 K291 L298 E299 I301	D283-K287 WeakPolarHBondContact O-CB 3.41Å; D283-K287 WeakPolarHBondContact O-CG 3.24Å; D283-K287 PolarHBondContact O-N 2.87Å; D283-K287 VanDerWaalsContact O-N 3.1Å; D283-K287 WeakPolarHBondContact OD1-CE 3.3Å; D283-K287 IonicContact OD1-NZ 3.92Å; D283-K287 PolarHBondContact OD1-NZ 3.41Å; D283-K287 IonicContact OD2-NZ 3.97Å; F284-K287 PolarHBondContact O-N 2.86Å; K287-A289 PolarHBondContact O-N 3.19Å; K287-A290 PolarHBondContact O-N 3.32Å; K287-K291 PolarHBondContact O-N 2.98Å; K287-L298 VanDerWaalsContact CE-O 3.26Å; K287-L298 WeakPolarHBondContact CE-O 3.37Å; K287-L298 HydrophobicContact CG-CB 4.12Å; K287-E299 WeakPolarHBondContact CE-O 3.47Å; K287-E299 PolarHBondContact NZ-O 2.73Å; K287-I301 HydrophobicContact CD-CD1 4.46Å; K287-I301 HydrophobicContact CG-CD1 4.09Å; K287-I301 HydrophobicContact CG-CG1 4.37Å
288	Y	97.3	Very high	93.6	Very high	61 Å²	61	47 Å²	47	24%	0.239	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-47	178	-174	-93.9	0	0	0	110.9	G161 M162 V165 F284 K291 E292	G161-Y288 VanDerWaalsContact C-CE1 3.44Å; M162-Y288 HydrophobicContact CG-CE1 4.43Å; V165-Y288 HydrophobicContact CG2-CD1 3.89Å; V165-Y288 HydrophobicContact CG2-CE1 3.8Å; F284-Y288 HydrophobicContact CE1-CD2 4.34Å; F284-Y288 HydrophobicContact CE1-CG 4.36Å; F284-Y288 HydrophobicContact CZ-CD2 4.41Å; F284-Y288 WeakPolarHBondContact O-CB 3.46Å; F284-Y288 PolarHBondContact O-N 2.61Å; Y288-K291 PolarHBondContact O-N 3.29Å; Y288-E292 HydrophobicContact CD1-CG 4.04Å; Y288-E292 HydrophobicContact CD2-CG 4.42Å; Y288-E292 HydrophobicContact CE1-CG 3.68Å; Y288-E292 HydrophobicContact CE2-CG 4.08Å; Y288-E292 HydrophobicContact CG-CG 4.4Å; Y288-E292 WeakPolarHBondContact O-CB 3.38Å; Y288-E292 WeakPolarHBondContact O-CG 3.44Å; Y288-E292 PolarHBondContact O-N 3.24Å
289	A	97.7	Very high	94.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-42.5	176.6	0	0	0	0	0	112.8	F164 V285 F286 K287 K291 E292 L293 L324 M326	F164-A289 HydrophobicContact CD1-CB 3.6Å; F164-A289 HydrophobicContact CE1-CB 3.58Å; V285-A289 WeakPolarHBondContact O-CB 3.47Å; V285-A289 PolarHBondContact O-N 3.38Å; F286-A289 PolarHBondContact O-N 2.79Å; K287-A289 PolarHBondContact O-N 3.19Å; A289-K291 VanDerWaalsContact C-N 3.29Å; A289-K291 PolarHBondContact O-N 3.21Å; A289-E292 PolarHBondContact O-N 2.9Å; A289-L293 HydrophobicContact CB-CD1 4.07Å; A289-L293 WeakPolarHBondContact O-CB 3.27Å; A289-L293 WeakPolarHBondContact O-CG 3.36Å; A289-L293 PolarHBondContact O-N 2.87Å; A289-L324 HydrophobicContact CB-CD1 3.94Å; A289-M326 HydrophobicContact CB-CE 4.14Å
290	A	98.1	Very high	95.2	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-43.5	176.2	0	0	0	0	0	111.5	F286 K287 F294 N295 I296 L298 L316	F286-A290 WeakPolarHBondContact O-CB 3.47Å; F286-A290 PolarHBondContact O-N 3.04Å; K287-A290 PolarHBondContact O-N 3.32Å; A290-F294 CarbonylContact O-C 3.25Å; A290-F294 WeakPolarHBondContact O-CA 3.33Å; A290-F294 WeakPolarHBondContact O-CB 3.35Å; A290-F294 PolarHBondContact O-N 3.33Å; A290-F294 VanDerWaalsContact O-N 3.11Å; A290-N295 PolarHBondContact O-N 3.41Å; A290-I296 CarbonylContact C-O 3.55Å; A290-I296 PolarHBondContact O-N 3.34Å; A290-I296 VanDerWaalsContact O-N 3.09Å; A290-L298 HydrophobicContact CB-CD1 3.67Å; A290-L298 HydrophobicContact CB-CG 4.12Å; A290-L316 HydrophobicContact CB-CD2 3.79Å
291	K	98.1	Very high	95.5	Very high	93 Å²	93	58.1 Å²	58.1	40%	0.404	28%	0.282	S	S	.	.	H	α-helix	trans	-68	-54.7	176.7	-174	169.2	-174.5	159.6	0	112	K287 Y288 A289 L293 N295 I296 E297	K287-K291 PolarHBondContact O-N 2.98Å; Y288-K291 PolarHBondContact O-N 3.29Å; A289-K291 VanDerWaalsContact C-N 3.29Å; A289-K291 PolarHBondContact O-N 3.21Å; K291-L293 PolarHBondContact O-N 3.04Å; K291-N295 WeakPolarHBondContact O-CA 3.34Å; K291-N295 PolarHBondContact O-N 2.95Å; K291-I296 WeakPolarHBondContact CA-O 3.38Å; K291-I296 PolarHBondContact N-O 3.42Å; K291-I296 VanDerWaalsContact N-O 3.13Å; K291-E297 IonicContact NZ-OE1 2.77Å; K291-E297 PolarHBondContact NZ-OE1 2.9Å
292	E	97.9	Very high	95.5	Very high	89 Å²	89	60.9 Å²	60.9	42%	0.416	30%	0.303	S	S	.	.	H	α-helix	trans	-72.3	-29.1	-172.3	-70.6	-61.2	133.5	0	0	114.4	V165 Y288 A289	V165-E292 HydrophobicContact CG1-CB 4.26Å; V165-E292 HydrophobicContact CG2-CB 3.86Å; V165-E292 HydrophobicContact CG2-CG 4.42Å; Y288-E292 HydrophobicContact CD1-CG 4.04Å; Y288-E292 HydrophobicContact CD2-CG 4.42Å; Y288-E292 HydrophobicContact CE1-CG 3.68Å; Y288-E292 HydrophobicContact CE2-CG 4.08Å; Y288-E292 HydrophobicContact CG-CG 4.4Å; Y288-E292 WeakPolarHBondContact O-CB 3.38Å; Y288-E292 WeakPolarHBondContact O-CG 3.44Å; Y288-E292 PolarHBondContact O-N 3.24Å; A289-E292 PolarHBondContact O-N 2.9Å
293	L	97.1	Very high	95.5	Very high	36 Å²	36	63 Å²	63	19%	0.188	31%	0.311	C	S	.	.	H	α-helix	trans	-100	-30.5	-176.6	-61.4	169.6	0	0	0	112.9	F164 V165 Y168 K169 A289 K291 L324	F164-L293 HydrophobicContact CE1-CD1 4.1Å; V165-L293 HydrophobicContact CB-CD2 4.5Å; V165-L293 HydrophobicContact CG1-CD2 3.87Å; V165-L293 HydrophobicContact CG1-CG 4.41Å; V165-L293 HydrophobicContact CG2-CD1 4.44Å; V165-L293 HydrophobicContact CG2-CG 4.22Å; Y168-L293 HydrophobicContact CD1-CD1 3.48Å; Y168-L293 VanDerWaalsContact CD1-CD1 3.48Å; Y168-L293 HydrophobicContact CD1-CD2 3.72Å; Y168-L293 HydrophobicContact CD1-CG 4.15Å; Y168-L293 HydrophobicContact CD2-CD1 4.21Å; Y168-L293 HydrophobicContact CE1-CD1 3.98Å; Y168-L293 HydrophobicContact CE1-CD2 4.42Å; Y168-L293 HydrophobicContact CG-CD1 3.59Å; Y168-L293 HydrophobicContact CG-CD2 4.38Å; K169-L293 HydrophobicContact CD-CD2 4.43Å; K169-L293 HydrophobicContact CG-CD2 3.89Å; A289-L293 HydrophobicContact CB-CD1 4.07Å; A289-L293 WeakPolarHBondContact O-CB 3.27Å; A289-L293 WeakPolarHBondContact O-CG 3.36Å; A289-L293 PolarHBondContact O-N 2.87Å; K291-L293 PolarHBondContact O-N 3.04Å; L293-L324 HydrophobicContact CD1-CD2 4.36Å
294	F	96.6	Very high	95.4	Very high	49 Å²	49	66.5 Å²	66.5	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-126.3	-1	-172.2	-54.4	-78.8	0	0	0	113.7	Y168 A290 I296 L316 V318 V323 L324	Y168-F294 HydrophobicContact CE1-CZ 4.02Å; Y168-F294 AromaticContact CZ-CZ 3.9Å; Y168-F294 WeakPolarHBondContact OH-CZ 3.19Å; A290-F294 CarbonylContact O-C 3.25Å; A290-F294 WeakPolarHBondContact O-CA 3.33Å; A290-F294 WeakPolarHBondContact O-CB 3.35Å; A290-F294 PolarHBondContact O-N 3.33Å; A290-F294 VanDerWaalsContact O-N 3.11Å; F294-I296 HydrophobicContact CB-CD1 4.01Å; F294-I296 HydrophobicContact CB-CG1 4.18Å; F294-I296 PolarHBondContact O-N 3.32Å; F294-L316 HydrophobicContact CB-CD2 4.42Å; F294-L316 HydrophobicContact CD2-CD2 3.68Å; F294-L316 HydrophobicContact CE2-CD2 4.29Å; F294-L316 HydrophobicContact CG-CD2 4.16Å; F294-V318 HydrophobicContact CB-CG2 4.49Å; F294-V318 HydrophobicContact CD1-CG2 4.26Å; F294-V318 HydrophobicContact CG-CG2 4.42Å; F294-V323 HydrophobicContact CD1-CB 4.39Å; F294-V323 HydrophobicContact CD1-CG2 4.06Å; F294-V323 HydrophobicContact CD2-CG2 4.25Å; F294-V323 HydrophobicContact CE1-CB 3.6Å; F294-V323 HydrophobicContact CE1-CG1 3.93Å; F294-V323 HydrophobicContact CE1-CG2 3.71Å; F294-V323 HydrophobicContact CE2-CB 4.28Å; F294-V323 HydrophobicContact CE2-CG2 3.94Å; F294-V323 HydrophobicContact CG-CG2 4.32Å; F294-V323 HydrophobicContact CZ-CB 3.55Å; F294-V323 HydrophobicContact CZ-CG1 4.36Å; F294-V323 HydrophobicContact CZ-CG2 3.65Å; F294-L324 HydrophobicContact CD2-CD1 4.12Å; F294-L324 HydrophobicContact CD2-CG 4.39Å; F294-L324 HydrophobicContact CE2-CD1 3.74Å; F294-L324 HydrophobicContact CE2-CD2 3.92Å; F294-L324 HydrophobicContact CE2-CG 3.59Å; F294-L324 HydrophobicContact CZ-CD2 4.46Å; F294-L324 HydrophobicContact CZ-CG 4.31Å
295	N	96.9	Very high	95.2	Very high	147 Å²	147	68 Å²	68	79%	0.786	34%	0.337	S	S	*	.			trans	55	36.6	-175.7	-163.6	48.8	0	0	0	112.8	A290 K291	A290-N295 PolarHBondContact O-N 3.41Å; K291-N295 WeakPolarHBondContact O-CA 3.34Å; K291-N295 PolarHBondContact O-N 2.95Å
296	I	97.6	Very high	94.7	Very high	51 Å²	51	69.6 Å²	69.6	26%	0.262	34%	0.344	S	S	.	.			trans	-111.3	119.1	177.9	-64.7	171.1	0	0	0	108.9	A290 K291 F294 L298 L316 V318	A290-I296 CarbonylContact C-O 3.55Å; A290-I296 PolarHBondContact O-N 3.34Å; A290-I296 VanDerWaalsContact O-N 3.09Å; K291-I296 WeakPolarHBondContact CA-O 3.38Å; K291-I296 PolarHBondContact N-O 3.42Å; K291-I296 VanDerWaalsContact N-O 3.13Å; F294-I296 HydrophobicContact CB-CD1 4.01Å; F294-I296 HydrophobicContact CB-CG1 4.18Å; F294-I296 PolarHBondContact O-N 3.32Å; I296-L298 HydrophobicContact CG2-CD2 3.78Å; I296-L298 HydrophobicContact CG2-CG 4.09Å; I296-L316 HydrophobicContact CD1-CD1 4.28Å; I296-L316 HydrophobicContact CD1-CD2 4.45Å; I296-L316 HydrophobicContact CG2-CD1 4.48Å; I296-V318 HydrophobicContact CD1-CG2 3.56Å
297	E	96.7	Very high	93.6	Very high	144 Å²	144	72.8 Å²	72.8	67%	0.673	36%	0.357	S	S	*	.			trans	-92.5	121.7	175.1	-165.1	146.9	-130.7	0	0	109.8	K291	K291-E297 IonicContact NZ-OE1 2.77Å; K291-E297 PolarHBondContact NZ-OE1 2.9Å
298	L	94.4	Very high	92.7	Very high	45 Å²	45	72.4 Å²	72.4	24%	0.236	36%	0.358	C	S	.	.			trans	-111.9	117.9	-176.8	-64	175.3	0	0	0	109.9	F286 K287 A290 I296 L316	F286-L298 HydrophobicContact CD1-CD1 3.81Å; F286-L298 HydrophobicContact CE1-CD1 3.42Å; F286-L298 VanDerWaalsContact CE1-CD1 3.42Å; F286-L298 HydrophobicContact CZ-CD1 4.42Å; K287-L298 VanDerWaalsContact CE-O 3.26Å; K287-L298 WeakPolarHBondContact CE-O 3.37Å; K287-L298 HydrophobicContact CG-CB 4.12Å; A290-L298 HydrophobicContact CB-CD1 3.67Å; A290-L298 HydrophobicContact CB-CG 4.12Å; I296-L298 HydrophobicContact CG2-CD2 3.78Å; I296-L298 HydrophobicContact CG2-CG 4.09Å; L298-L316 HydrophobicContact CD1-CD1 4.38Å
299	E	89.9	Confident	92.1	Very high	176 Å²	176	74.7 Å²	74.7	82%	0.822	37%	0.374	S	S	*	.	S	Bend	trans	-76	-46.1	173.5	-64.3	-177.6	175.1	0	0	111.1	K287	K287-E299 WeakPolarHBondContact CE-O 3.47Å; K287-E299 PolarHBondContact NZ-O 2.73Å
300	T	90.7	Very high	91.4	Very high	119 Å²	119	77.4 Å²	77.4	73%	0.73	39%	0.389	S	S	*	.			trans	-125.6	156.6	-178.4	60.8	0	0	0	0	111.4
301	I	92.8	Very high	90.8	Very high	24 Å²	24	77.5 Å²	77.5	12%	0.123	39%	0.389	C	S	.	.			trans	-123.7	133.5	177.8	-55.6	171.7	0	0	0	108.4	D283 F286 K287 Y303 V314	D283-I301 HydrophobicContact CB-CD1 4.19Å; D283-I301 WeakPolarHBondContact OD2-CD1 3.34Å; F286-I301 HydrophobicContact CB-CD1 4.11Å; F286-I301 HydrophobicContact CD1-CD1 3.65Å; F286-I301 HydrophobicContact CD1-CG1 3.93Å; F286-I301 HydrophobicContact CD1-CG2 4.16Å; F286-I301 HydrophobicContact CE1-CG1 4.38Å; F286-I301 HydrophobicContact CE1-CG2 4.17Å; F286-I301 HydrophobicContact CG-CD1 4.27Å; K287-I301 HydrophobicContact CD-CD1 4.46Å; K287-I301 HydrophobicContact CG-CD1 4.09Å; K287-I301 HydrophobicContact CG-CG1 4.37Å; I301-Y303 HydrophobicContact CB-CE2 3.98Å; I301-Y303 HydrophobicContact CG2-CD2 4.44Å; I301-Y303 HydrophobicContact CG2-CE2 4.16Å; I301-Y303 WeakPolarHBondContact O-CD2 3.28Å; I301-V314 HydrophobicContact CG2-CB 3.73Å; I301-V314 HydrophobicContact CG2-CG1 3.48Å; I301-V314 VanDerWaalsContact CG2-CG1 3.48Å; I301-V314 HydrophobicContact CG2-CG2 4.46Å
302	T	92.7	Very high	90.4	Very high	98 Å²	98	74.9 Å²	74.9	60%	0.601	38%	0.378	S	S	*	.			trans	-86.6	116.2	172.5	-55.3	0	0	0	0	109.6
303	Y	92	Very high	90.2	Very high	59 Å²	59	70.9 Å²	70.9	23%	0.231	36%	0.36	C	S	.	.			trans	-90.4	120.6	175.1	-68.6	-99.6	0	0	0	109.8	L282 D283 I301 Q312 V314 L328	L282-Y303 HydrophobicContact CD2-CE1 3.7Å; D283-Y303 PolarHBondContact OD2-OH 2.99Å; I301-Y303 HydrophobicContact CB-CE2 3.98Å; I301-Y303 HydrophobicContact CG2-CD2 4.44Å; I301-Y303 HydrophobicContact CG2-CE2 4.16Å; I301-Y303 WeakPolarHBondContact O-CD2 3.28Å; Y303-Q312 HydrophobicContact CD1-CB 4.36Å; Y303-V314 HydrophobicContact CD1-CG1 3.54Å; Y303-V314 HydrophobicContact CD2-CG1 4.48Å; Y303-V314 HydrophobicContact CE1-CG1 3.75Å; Y303-V314 HydrophobicContact CG-CG1 3.94Å; Y303-L328 HydrophobicContact CD1-CD1 4.14Å; Y303-L328 HydrophobicContact CE1-CD1 3.7Å; Y303-L328 HydrophobicContact CE1-CG 4.42Å
304	H	93.4	Very high	90.1	Very high	80 Å²	80	69.2 Å²	69.2	37%	0.37	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	100.9	177.3	-61.2	-83.6	0	0	0	109.2	Q306 Q312 E313 Y315	H304-Q306 PolarHBondContact O-N 2.92Å; H304-Q306 PolarHBondContact O-NE2 3.38Å; H304-Q312 WeakPolarHBondContact O-CA 3.43Å; H304-E313 WeakPolarHBondContact CB-O 3.2Å; H304-E313 PolarHBondContact N-O 3.02Å; H304-E313 PolarHBondContact O-N 3.43Å; H304-Y315 HydrophobicContact CB-CE2 4.09Å; H304-Y315 AromaticContact CD2-CD2 3.38Å; H304-Y315 WeakPolarHBondContact CD2-CD2 3.31Å; H304-Y315 AromaticContact CD2-CE2 3.43Å; H304-Y315 VanDerWaalsContact CD2-CE2 3.43Å; H304-Y315 WeakPolarHBondContact CD2-CE2 3.45Å; H304-Y315 AromaticContact CG-CE2 3.78Å; H304-Y315 AromaticContact NE2-CD2 3.73Å
305	I	89.6	Confident	90.1	Very high	97 Å²	97	69.5 Å²	69.5	50%	0.497	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	130.9	172.3	-62.5	162.8	0	0	0	108.5	N309 Q312	I305-N309 VanDerWaalsContact CD1-OD1 3.29Å; I305-N309 WeakPolarHBondContact CD1-OD1 3.1Å; I305-Q312 HydrophobicContact CG1-CG 4.3Å
306	Q	84.5	Confident	90.1	Very high	41 Å²	41	63.1 Å²	63.1	19%	0.192	32%	0.317	C	S	.	.			trans	-94.5	-113.8	177.1	-57.3	-62.6	-49.6	0	0	108.5	L9 H304 L311 E313	L9-Q306 HydrophobicContact CB-CB 4.36Å; L9-Q306 HydrophobicContact CB-CG 3.95Å; L9-Q306 HydrophobicContact CD1-CG 4.29Å; H304-Q306 PolarHBondContact O-N 2.92Å; H304-Q306 PolarHBondContact O-NE2 3.38Å; Q306-L311 HydrophobicContact CB-CB 4.42Å; Q306-L311 HydrophobicContact CB-CD2 4.19Å; Q306-L311 HydrophobicContact CB-CG 4.18Å; Q306-L311 WeakPolarHBondContact CB-O 3.46Å; Q306-L311 HydrophobicContact CG-CG 4.5Å; Q306-L311 PolarHBondContact N-O 3.35Å; Q306-E313 HydrophobicContact CG-CG 3.98Å
307	K	74.2	Confident	90	Very high	70 Å²	70	64.8 Å²	64.8	30%	0.304	33%	0.326	S	S	.	.	S	Bend	trans	-68.7	-37.7	178.4	-71.1	-169.9	162.8	-164.2	0	114.3	L12 D14 I16	L12-K307 HydrophobicContact CB-CD 4.13Å; L12-K307 WeakPolarHBondContact O-CE 3.05Å; L12-K307 PolarHBondContact O-NZ 3.48Å; D14-K307 VanDerWaalsContact N-NZ 3.19Å; D14-K307 PolarHBondContact O-NZ 3.25Å; I16-K307 HydrophobicContact CD1-CB 4.47Å
308	N	79.2	Confident	89.9	Confident	42 Å²	42	59.7 Å²	59.7	23%	0.225	31%	0.305	C	S	.	.	S	Bend	trans	-155.3	170	-174.5	58.8	41.8	0	0	0	109.6	D310 L311	N308-D310 PolarHBondContact O-N 3.48Å; N308-D310 VanDerWaalsContact O-N 3.13Å; N308-D310 WeakPolarHBondContact OD1-CA 3.42Å; N308-D310 WeakPolarHBondContact OD1-CB 3.24Å; N308-D310 PolarHBondContact OD1-N 2.93Å; N308-D310 VanDerWaalsContact OD1-N 3.11Å; N308-L311 CarbonylContact O-C 3.49Å; N308-L311 PolarHBondContact O-N 3.39Å; N308-L311 PolarHBondContact OD1-N 2.97Å
309	N	83.6	Confident	89.8	Confident	109 Å²	109	64.9 Å²	64.9	58%	0.583	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.6	-177.9	-72.7	-24.4	0	0	0	113.9	I305 L311 Q312	I305-N309 VanDerWaalsContact CD1-OD1 3.29Å; I305-N309 WeakPolarHBondContact CD1-OD1 3.1Å; N309-L311 VanDerWaalsContact C-N 3.26Å; N309-Q312 PolarHBondContact O-NE2 3.23Å
310	D	83.6	Confident	89.8	Confident	57 Å²	57	64.7 Å²	64.7	31%	0.305	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.1	176.4	-65.4	-37.8	0	0	0	112.6	N308 C329 Y330 N334	N308-D310 PolarHBondContact O-N 3.48Å; N308-D310 VanDerWaalsContact O-N 3.13Å; N308-D310 WeakPolarHBondContact OD1-CA 3.42Å; N308-D310 WeakPolarHBondContact OD1-CB 3.24Å; N308-D310 PolarHBondContact OD1-N 2.93Å; N308-D310 VanDerWaalsContact OD1-N 3.11Å; D310-C329 CarbonylContact O-C 3.53Å; D310-C329 WeakPolarHBondContact O-CA 3.38Å; D310-Y330 WeakPolarHBondContact CB-O 3.28Å; D310-Y330 PolarHBondContact O-N 3.35Å; D310-N334 WeakPolarHBondContact CB-ND2 3.49Å
311	L	84.5	Confident	89.9	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	103.8	-179.1	-164.2	65.8	0	0	0	110.6	L9 Q306 N308 N309 L328 C329	L9-L311 HydrophobicContact CB-CD2 3.92Å; L9-L311 HydrophobicContact CB-CG 4.21Å; L9-L311 HydrophobicContact CD1-CD1 3.47Å; L9-L311 VanDerWaalsContact CD1-CD1 3.47Å; L9-L311 HydrophobicContact CD1-CD2 4.21Å; L9-L311 HydrophobicContact CD1-CG 3.59Å; L9-L311 HydrophobicContact CD2-CD1 3.77Å; L9-L311 HydrophobicContact CD2-CD2 4.08Å; L9-L311 HydrophobicContact CD2-CG 4.22Å; L9-L311 HydrophobicContact CG-CD1 4.12Å; L9-L311 HydrophobicContact CG-CD2 4.26Å; L9-L311 HydrophobicContact CG-CG 4.19Å; Q306-L311 HydrophobicContact CB-CB 4.42Å; Q306-L311 HydrophobicContact CB-CD2 4.19Å; Q306-L311 HydrophobicContact CB-CG 4.18Å; Q306-L311 WeakPolarHBondContact CB-O 3.46Å; Q306-L311 HydrophobicContact CG-CG 4.5Å; Q306-L311 PolarHBondContact N-O 3.35Å; N308-L311 CarbonylContact O-C 3.49Å; N308-L311 PolarHBondContact O-N 3.39Å; N308-L311 PolarHBondContact OD1-N 2.97Å; N309-L311 VanDerWaalsContact C-N 3.26Å; L311-L328 WeakPolarHBondContact CA-O 3.47Å; L311-C329 HydrophobicContact CD1-CB 4Å
312	Q	91	Very high	89.9	Confident	38 Å²	38	66.4 Å²	66.4	18%	0.178	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.4	-174.7	-55.1	179.8	1.2	0	0	110.1	Y303 H304 I305 N309 A327 L328	Y303-Q312 HydrophobicContact CD1-CB 4.36Å; H304-Q312 WeakPolarHBondContact O-CA 3.43Å; I305-Q312 HydrophobicContact CG1-CG 4.3Å; N309-Q312 PolarHBondContact O-NE2 3.23Å; Q312-A327 CarbonylContact O-C 3.55Å; Q312-A327 WeakPolarHBondContact O-CA 3.33Å; Q312-L328 HydrophobicContact CB-CB 4.43Å; Q312-L328 PolarHBondContact N-O 3.35Å; Q312-L328 PolarHBondContact O-N 3.04Å
313	E	93.3	Very high	89.9	Confident	5 Å²	5	63 Å²	63	2%	0.023	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	148.3	174.2	-69.3	-173.2	169.8	0	0	110.8	L9 H304 Q306 Y315 M326 A327	L9-E313 HydrophobicContact CB-CG 4.39Å; L9-E313 WeakPolarHBondContact CB-OE1 3.39Å; L9-E313 HydrophobicContact CD1-CG 3.43Å; L9-E313 VanDerWaalsContact CD1-CG 3.43Å; L9-E313 WeakPolarHBondContact CD1-OE1 3.46Å; L9-E313 HydrophobicContact CG-CG 4.15Å; L9-E313 WeakPolarHBondContact CG-OE1 3.2Å; L9-E313 PolarHBondContact N-OE1 2.85Å; H304-E313 WeakPolarHBondContact CB-O 3.2Å; H304-E313 PolarHBondContact N-O 3.02Å; H304-E313 PolarHBondContact O-N 3.43Å; Q306-E313 HydrophobicContact CG-CG 3.98Å; E313-Y315 HydrophobicContact CB-CE1 3.76Å; E313-Y315 HydrophobicContact CB-CE2 4.33Å; E313-Y315 HydrophobicContact CG-CE1 4.47Å; E313-Y315 WeakPolarHBondContact OE2-CE1 3.26Å; E313-Y315 PolarHBondContact OE2-OH 2.97Å; E313-M326 WeakPolarHBondContact CA-O 3.3Å; E313-A327 HydrophobicContact CG-CB 4.19Å
314	V	95	Very high	89.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.9	169.2	-57.9	0	0	0	0	109	L282 F286 I301 Y303 T325 M326	L282-V314 HydrophobicContact CD1-CG2 3.96Å; L282-V314 HydrophobicContact CD2-CB 4.26Å; L282-V314 HydrophobicContact CD2-CG1 3.8Å; L282-V314 HydrophobicContact CD2-CG2 3.48Å; L282-V314 VanDerWaalsContact CD2-CG2 3.48Å; L282-V314 HydrophobicContact CG-CG2 4.06Å; F286-V314 HydrophobicContact CD1-CG2 4.49Å; F286-V314 HydrophobicContact CD2-CG2 3.57Å; F286-V314 HydrophobicContact CE2-CB 4.43Å; F286-V314 HydrophobicContact CE2-CG2 3.79Å; F286-V314 HydrophobicContact CG-CG2 3.96Å; F286-V314 HydrophobicContact CZ-CG2 4.33Å; I301-V314 HydrophobicContact CG2-CB 3.73Å; I301-V314 HydrophobicContact CG2-CG1 3.48Å; I301-V314 VanDerWaalsContact CG2-CG1 3.48Å; I301-V314 HydrophobicContact CG2-CG2 4.46Å; Y303-V314 HydrophobicContact CD1-CG1 3.54Å; Y303-V314 HydrophobicContact CD2-CG1 4.48Å; Y303-V314 HydrophobicContact CE1-CG1 3.75Å; Y303-V314 HydrophobicContact CG-CG1 3.94Å; V314-T325 WeakPolarHBondContact O-CA 3.31Å; V314-M326 HydrophobicContact CG2-CB 3.76Å; V314-M326 PolarHBondContact N-O 2.93Å; V314-M326 PolarHBondContact O-N 2.88Å
315	Y	96.5	Very high	90	Very high	56 Å²	56	58.6 Å²	58.6	22%	0.22	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	145.3	-171.6	-46.8	-68.2	0	0	0	113.3	F286 H304 E313 R322 L324 T325	F286-Y315 WeakPolarHBondContact CZ-O 3.19Å; H304-Y315 HydrophobicContact CB-CE2 4.09Å; H304-Y315 AromaticContact CD2-CD2 3.38Å; H304-Y315 WeakPolarHBondContact CD2-CD2 3.31Å; H304-Y315 AromaticContact CD2-CE2 3.43Å; H304-Y315 VanDerWaalsContact CD2-CE2 3.43Å; H304-Y315 WeakPolarHBondContact CD2-CE2 3.45Å; H304-Y315 AromaticContact CG-CE2 3.78Å; H304-Y315 AromaticContact NE2-CD2 3.73Å; E313-Y315 HydrophobicContact CB-CE1 3.76Å; E313-Y315 HydrophobicContact CB-CE2 4.33Å; E313-Y315 HydrophobicContact CG-CE1 4.47Å; E313-Y315 WeakPolarHBondContact OE2-CE1 3.26Å; E313-Y315 PolarHBondContact OE2-OH 2.97Å; Y315-R322 VanDerWaalsContact CD1-CZ 3.4Å; Y315-R322 VanDerWaalsContact CD1-NE 3.3Å; Y315-L324 WeakPolarHBondContact CA-O 3.24Å; Y315-T325 HydrophobicContact CD1-CG2 3.82Å; Y315-T325 HydrophobicContact CE1-CG2 3.82Å
316	L	97.1	Very high	90.3	Very high	12 Å²	12	55 Å²	55	6%	0.063	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.9	168.3	-172.6	62.5	0	0	0	108.7	F286 A290 F294 I296 L298 V318 V323 L324	F286-L316 HydrophobicContact CE2-CB 4.18Å; F286-L316 HydrophobicContact CZ-CB 3.74Å; A290-L316 HydrophobicContact CB-CD2 3.79Å; F294-L316 HydrophobicContact CB-CD2 4.42Å; F294-L316 HydrophobicContact CD2-CD2 3.68Å; F294-L316 HydrophobicContact CE2-CD2 4.29Å; F294-L316 HydrophobicContact CG-CD2 4.16Å; I296-L316 HydrophobicContact CD1-CD1 4.28Å; I296-L316 HydrophobicContact CD1-CD2 4.45Å; I296-L316 HydrophobicContact CG2-CD1 4.48Å; L298-L316 HydrophobicContact CD1-CD1 4.38Å; L316-V318 HydrophobicContact CG-CG2 4.29Å; L316-V323 HydrophobicContact CB-CG2 4.05Å; L316-V323 HydrophobicContact CD2-CG2 3.92Å; L316-V323 HydrophobicContact CG-CG2 3.85Å; L316-V323 WeakPolarHBondContact O-CG2 3.38Å; L316-V323 PolarHBondContact O-N 2.85Å; L316-L324 HydrophobicContact CB-CB 3.85Å; L316-L324 HydrophobicContact CB-CD1 4.28Å; L316-L324 HydrophobicContact CB-CG 4.3Å; L316-L324 HydrophobicContact CD2-CD1 3.79Å; L316-L324 HydrophobicContact CD2-CG 4.3Å; L316-L324 PolarHBondContact N-O 3.39Å; L316-L324 PolarHBondContact O-N 2.93Å
317	D	95.5	Very high	90.6	Very high	87 Å²	87	55.3 Å²	55.3	47%	0.465	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.2	171.7	-63.8	-33.1	0	0	0	109.3	Q321 R322	D317-Q321 WeakPolarHBondContact CA-O 3.23Å; D317-R322 WeakPolarHBondContact OD1-CA 3.24Å; D317-R322 WeakPolarHBondContact OD1-CD 3.49Å; D317-R322 IonicContact OD1-CZ 3.45Å; D317-R322 PolarHBondContact OD1-N 2.82Å; D317-R322 IonicContact OD1-NE 3.63Å; D317-R322 IonicContact OD1-NH1 2.69Å; D317-R322 PolarHBondContact OD1-NH1 3.46Å; D317-R322 IonicContact OD2-CZ 3.87Å; D317-R322 IonicContact OD2-NH1 2.75Å; D317-R322 PolarHBondContact OD2-NH1 2.65Å
318	V	93.5	Very high	91.4	Very high	37 Å²	37	53 Å²	53	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.7	174.3	177.9	0	0	0	0	107.1	F294 I296 L316 D320 Q321 V323	F294-V318 HydrophobicContact CB-CG2 4.49Å; F294-V318 HydrophobicContact CD1-CG2 4.26Å; F294-V318 HydrophobicContact CG-CG2 4.42Å; I296-V318 HydrophobicContact CD1-CG2 3.56Å; L316-V318 HydrophobicContact CG-CG2 4.29Å; V318-D320 VanDerWaalsContact C-N 3.33Å; V318-D320 PolarHBondContact O-N 2.87Å; V318-Q321 PolarHBondContact N-O 3.37Å; V318-Q321 PolarHBondContact O-N 3.01Å; V318-Q321 VanDerWaalsContact O-N 3.08Å; V318-V323 HydrophobicContact CB-CG1 4.05Å; V318-V323 HydrophobicContact CB-CG2 4.17Å; V318-V323 HydrophobicContact CG2-CG1 4.38Å; V318-V323 HydrophobicContact CG2-CG2 3.61Å
319	N	93	Very high	91.8	Very high	154 Å²	154	52.4 Å²	52.4	82%	0.824	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	49.7	-174.4	-54.9	-41	0	0	0	112.5	Q321	N319-Q321 PolarHBondContact O-N 3.36Å
320	D	91.1	Very high	91.9	Very high	172 Å²	172	51 Å²	51	92%	0.92	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	13.2	-177.7	-55.5	-51	0	0	0	115.3	V318	V318-D320 VanDerWaalsContact C-N 3.33Å; V318-D320 PolarHBondContact O-N 2.87Å
321	Q	92.6	Very high	91.6	Very high	100 Å²	100	49.1 Å²	49.1	47%	0.467	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.5	174.6	-173.7	180	-36.4	0	0	110.4	D317 V318 N319 V323	D317-Q321 WeakPolarHBondContact CA-O 3.23Å; V318-Q321 PolarHBondContact N-O 3.37Å; V318-Q321 PolarHBondContact O-N 3.01Å; V318-Q321 VanDerWaalsContact O-N 3.08Å; N319-Q321 PolarHBondContact O-N 3.36Å; Q321-V323 PolarHBondContact O-N 3.48Å; Q321-V323 VanDerWaalsContact O-N 3.15Å
322	R	91.3	Very high	91.1	Very high	79 Å²	79	49.9 Å²	49.9	30%	0.298	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	114	169.9	-174.3	79.9	78.2	-146.5	10.7	110.2	I6 Y315 D317 L324 T325	I6-R322 HydrophobicContact CD1-CG 4.28Å; Y315-R322 VanDerWaalsContact CD1-CZ 3.4Å; Y315-R322 VanDerWaalsContact CD1-NE 3.3Å; D317-R322 WeakPolarHBondContact OD1-CA 3.24Å; D317-R322 WeakPolarHBondContact OD1-CD 3.49Å; D317-R322 IonicContact OD1-CZ 3.45Å; D317-R322 PolarHBondContact OD1-N 2.82Å; D317-R322 IonicContact OD1-NE 3.63Å; D317-R322 IonicContact OD1-NH1 2.69Å; D317-R322 PolarHBondContact OD1-NH1 3.46Å; D317-R322 IonicContact OD2-CZ 3.87Å; D317-R322 IonicContact OD2-NH1 2.75Å; D317-R322 PolarHBondContact OD2-NH1 2.65Å; R322-L324 WeakPolarHBondContact CD-O 3.39Å; R322-T325 WeakPolarHBondContact CG-OG1 3.29Å
323	V	92.2	Very high	90.2	Very high	27 Å²	27	52.7 Å²	52.7	16%	0.164	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-27.4	179.9	-64.9	0	0	0	0	113.4	Y168 F294 L316 V318 Q321	Y168-V323 PolarHBondContact OH-O 3.07Å; Y168-V323 VanDerWaalsContact OH-O 3.06Å; F294-V323 HydrophobicContact CD1-CB 4.39Å; F294-V323 HydrophobicContact CD1-CG2 4.06Å; F294-V323 HydrophobicContact CD2-CG2 4.25Å; F294-V323 HydrophobicContact CE1-CB 3.6Å; F294-V323 HydrophobicContact CE1-CG1 3.93Å; F294-V323 HydrophobicContact CE1-CG2 3.71Å; F294-V323 HydrophobicContact CE2-CB 4.28Å; F294-V323 HydrophobicContact CE2-CG2 3.94Å; F294-V323 HydrophobicContact CG-CG2 4.32Å; F294-V323 HydrophobicContact CZ-CB 3.55Å; F294-V323 HydrophobicContact CZ-CG1 4.36Å; F294-V323 HydrophobicContact CZ-CG2 3.65Å; L316-V323 HydrophobicContact CB-CG2 4.05Å; L316-V323 HydrophobicContact CD2-CG2 3.92Å; L316-V323 HydrophobicContact CG-CG2 3.85Å; L316-V323 WeakPolarHBondContact O-CG2 3.38Å; L316-V323 PolarHBondContact O-N 2.85Å; V318-V323 HydrophobicContact CB-CG1 4.05Å; V318-V323 HydrophobicContact CB-CG2 4.17Å; V318-V323 HydrophobicContact CG2-CG1 4.38Å; V318-V323 HydrophobicContact CG2-CG2 3.61Å; Q321-V323 PolarHBondContact O-N 3.48Å; Q321-V323 VanDerWaalsContact O-N 3.15Å
324	L	94.1	Very high	89.6	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.7	172.4	-62.2	175.1	0	0	0	111	F164 Y168 F286 A289 L293 F294 Y315 L316 R322	F164-L324 HydrophobicContact CE1-CD2 3.9Å; F164-L324 HydrophobicContact CZ-CD2 3.93Å; Y168-L324 HydrophobicContact CD2-CD2 4.05Å; Y168-L324 HydrophobicContact CE2-CD2 3.66Å; F286-L324 HydrophobicContact CE2-CB 4Å; F286-L324 HydrophobicContact CE2-CD1 4.48Å; A289-L324 HydrophobicContact CB-CD1 3.94Å; L293-L324 HydrophobicContact CD1-CD2 4.36Å; F294-L324 HydrophobicContact CD2-CD1 4.12Å; F294-L324 HydrophobicContact CD2-CG 4.39Å; F294-L324 HydrophobicContact CE2-CD1 3.74Å; F294-L324 HydrophobicContact CE2-CD2 3.92Å; F294-L324 HydrophobicContact CE2-CG 3.59Å; F294-L324 HydrophobicContact CZ-CD2 4.46Å; F294-L324 HydrophobicContact CZ-CG 4.31Å; Y315-L324 WeakPolarHBondContact CA-O 3.24Å; L316-L324 HydrophobicContact CB-CB 3.85Å; L316-L324 HydrophobicContact CB-CD1 4.28Å; L316-L324 HydrophobicContact CB-CG 4.3Å; L316-L324 HydrophobicContact CD2-CD1 3.79Å; L316-L324 HydrophobicContact CD2-CG 4.3Å; L316-L324 PolarHBondContact N-O 3.39Å; L316-L324 PolarHBondContact O-N 2.93Å; R322-L324 WeakPolarHBondContact CD-O 3.39Å
325	T	94.6	Very high	89	Confident	41 Å²	41	55.4 Å²	55.4	25%	0.252	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	127.8	167.6	-60.8	0	0	0	0	107.8	I6 V314 Y315 R322	I6-T325 HydrophobicContact CG2-CG2 4.03Å; V314-T325 WeakPolarHBondContact O-CA 3.31Å; Y315-T325 HydrophobicContact CD1-CG2 3.82Å; Y315-T325 HydrophobicContact CE1-CG2 3.82Å; R322-T325 WeakPolarHBondContact CG-OG1 3.29Å
326	M	94.9	Very high	88	Confident	22 Å²	22	54.3 Å²	54.3	11%	0.108	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	158	171.9	-62.4	-178	-175	0	0	109.1	F164 L282 V285 F286 A289 E313 V314	F164-M326 HydrophobicContact CD1-CE 3.99Å; F164-M326 HydrophobicContact CD2-CE 3.93Å; F164-M326 HydrophobicContact CE1-CE 3.58Å; F164-M326 HydrophobicContact CE2-CE 3.47Å; F164-M326 VanDerWaalsContact CE2-CE 3.47Å; F164-M326 HydrophobicContact CG-CE 4.17Å; F164-M326 HydrophobicContact CZ-CE 3.3Å; L282-M326 HydrophobicContact CD1-CB 3.83Å; L282-M326 HydrophobicContact CG-CB 4.11Å; V285-M326 HydrophobicContact CG1-CE 3.79Å; V285-M326 HydrophobicContact CG1-SD 4.23Å; F286-M326 HydrophobicContact CB-CE 4.38Å; F286-M326 HydrophobicContact CB-SD 3.71Å; F286-M326 HydrophobicContact CD2-CB 4.41Å; F286-M326 HydrophobicContact CD2-CE 4.23Å; F286-M326 HydrophobicContact CD2-CG 4.06Å; F286-M326 HydrophobicContact CD2-SD 3.76Å; F286-M326 HydrophobicContact CG-SD 4.24Å; A289-M326 HydrophobicContact CB-CE 4.14Å; E313-M326 WeakPolarHBondContact CA-O 3.3Å; V314-M326 HydrophobicContact CG2-CB 3.76Å; V314-M326 PolarHBondContact N-O 2.93Å; V314-M326 PolarHBondContact O-N 2.88Å
327	A	92.2	Very high	87	Confident	47 Å²	47	54.6 Å²	54.6	39%	0.388	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.6	-178.8	0	0	0	0	0	112.2	L9 Q312 E313	L9-A327 HydrophobicContact CD1-CB 3.58Å; Q312-A327 CarbonylContact O-C 3.55Å; Q312-A327 WeakPolarHBondContact O-CA 3.33Å; E313-A327 HydrophobicContact CG-CB 4.19Å
328	L	90.9	Very high	86.4	Confident	22 Å²	22	51.9 Å²	51.9	12%	0.115	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.4	160.7	-71.3	177.3	0	0	0	108.3	L282 Y303 L311 Q312 Y330	L282-L328 HydrophobicContact CB-CD2 3.63Å; L282-L328 HydrophobicContact CB-CG 4.11Å; L282-L328 HydrophobicContact CD1-CD2 4.04Å; L282-L328 HydrophobicContact CD1-CG 3.74Å; L282-L328 HydrophobicContact CG-CD2 4.42Å; L282-L328 HydrophobicContact CG-CG 4.43Å; Y303-L328 HydrophobicContact CD1-CD1 4.14Å; Y303-L328 HydrophobicContact CE1-CD1 3.7Å; Y303-L328 HydrophobicContact CE1-CG 4.42Å; L311-L328 WeakPolarHBondContact CA-O 3.47Å; Q312-L328 HydrophobicContact CB-CB 4.43Å; Q312-L328 PolarHBondContact N-O 3.35Å; Q312-L328 PolarHBondContact O-N 3.04Å; L328-Y330 HydrophobicContact CB-CE2 4.09Å; L328-Y330 HydrophobicContact CD1-CE2 4.07Å; L328-Y330 HydrophobicContact CD2-CE2 4.42Å; L328-Y330 HydrophobicContact CG-CE2 4.41Å
329	C	88.3	Confident	85.9	Confident	28 Å²	28	50.3 Å²	50.3	19%	0.189	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	104	175.9	-172.4	0	0	0	0	108.4	D310 L311 N334 L338	D310-C329 CarbonylContact O-C 3.53Å; D310-C329 WeakPolarHBondContact O-CA 3.38Å; L311-C329 HydrophobicContact CD1-CB 4Å; C329-N334 VanDerWaalsContact SG-C 3.51Å; C329-L338 HydrophobicContact CB-CD2 3.89Å
330	Y	84.3	Confident	85	Confident	80 Å²	80	48.9 Å²	48.9	31%	0.314	25%	0.245	S	C	.	.			trans	-102.6	152.8	174.5	-62.1	-65	0	0	0	110.6	D310 L328 N334	D310-Y330 WeakPolarHBondContact CB-O 3.28Å; D310-Y330 PolarHBondContact O-N 3.35Å; L328-Y330 HydrophobicContact CB-CE2 4.09Å; L328-Y330 HydrophobicContact CD1-CE2 4.07Å; L328-Y330 HydrophobicContact CD2-CE2 4.42Å; L328-Y330 HydrophobicContact CG-CE2 4.41Å; Y330-N334 WeakPolarHBondContact O-CB 3.35Å; Y330-N334 PolarHBondContact O-ND2 2.81Å
331	G	78.1	Confident	84.3	Confident	17 Å²	17	43.2 Å²	43.2	18%	0.175	21%	0.212	C	C	.	.	S	Bend	trans	83.3	133.1	178.3	0	0	0	0	0	114.2	C22 K333 N334 I335	C22-G331 WeakPolarHBondContact SG-CA 2.98Å; G331-K333 VanDerWaalsContact C-N 3.29Å; G331-K333 PolarHBondContact O-N 3.46Å; G331-N334 PolarHBondContact O-N 2.86Å; G331-N334 VanDerWaalsContact O-N 3.15Å; G331-I335 WeakPolarHBondContact O-CG1 3.15Å; G331-I335 PolarHBondContact O-N 3.38Å
332	F	74.3	Confident	83.6	Confident	19 Å²	19	38.9 Å²	38.9	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-36.9	-168.5	-172.2	-121.1	0	0	0	113	C71 C74 Y194 I335 Q336	C71-F332 HydrophobicContact CB-CB 3.71Å; C71-F332 HydrophobicContact CB-CD1 3.44Å; C71-F332 VanDerWaalsContact CB-CD1 3.44Å; C71-F332 HydrophobicContact CB-CE1 4.34Å; C71-F332 HydrophobicContact CB-CG 3.92Å; C74-F332 WeakPolarHBondContact SG-CD2 3.18Å; C74-F332 WeakPolarHBondContact SG-CE2 3.44Å; C74-F332 WeakPolarHBondContact SG-CZ 3.49Å; Y194-F332 HydrophobicContact CD1-CE2 4.01Å; Y194-F332 HydrophobicContact CD1-CZ 4.43Å; Y194-F332 AromaticContact CD2-CE2 3.85Å; Y194-F332 HydrophobicContact CD2-CE2 3.85Å; Y194-F332 AromaticContact CD2-CZ 3.43Å; Y194-F332 HydrophobicContact CD2-CZ 3.43Å; Y194-F332 VanDerWaalsContact CD2-CZ 3.43Å; Y194-F332 HydrophobicContact CE2-CZ 4.04Å; Y194-F332 AromaticContact CG-CE2 3.55Å; Y194-F332 HydrophobicContact CG-CE2 3.55Å; Y194-F332 AromaticContact CG-CZ 3.65Å; Y194-F332 HydrophobicContact CG-CZ 3.65Å; F332-I335 PolarHBondContact O-N 3.44Å; F332-Q336 HydrophobicContact CD1-CG 4.07Å; F332-Q336 HydrophobicContact CD2-CG 4.36Å; F332-Q336 HydrophobicContact CE1-CG 3.85Å; F332-Q336 HydrophobicContact CE2-CG 4.08Å; F332-Q336 HydrophobicContact CG-CG 4.37Å; F332-Q336 HydrophobicContact CZ-CG 3.86Å; F332-Q336 WeakPolarHBondContact O-CB 3.26Å; F332-Q336 VanDerWaalsContact O-CG 3.29Å; F332-Q336 WeakPolarHBondContact O-CG 3.31Å; F332-Q336 PolarHBondContact O-N 3.27Å
333	K	72.3	Confident	82.5	Confident	97 Å²	97	36.4 Å²	36.4	42%	0.422	18%	0.184	S	C	.	.	H	α-helix	trans	-63.5	-44	177.2	-177	65	179.3	-177.7	0	112.2	G331 I335 Q336 N337	G331-K333 VanDerWaalsContact C-N 3.29Å; G331-K333 PolarHBondContact O-N 3.46Å; K333-I335 VanDerWaalsContact C-N 3.33Å; K333-Q336 PolarHBondContact O-N 2.88Å; K333-N337 WeakPolarHBondContact O-CB 3.44Å; K333-N337 PolarHBondContact O-N 2.63Å
334	N	79.7	Confident	81.4	Confident	23 Å²	23	37.2 Å²	37.2	12%	0.123	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-43	175.3	-65.7	-34.4	0	0	0	110.5	D310 C329 Y330 G331 N337 L338	D310-N334 WeakPolarHBondContact CB-ND2 3.49Å; C329-N334 VanDerWaalsContact SG-C 3.51Å; Y330-N334 WeakPolarHBondContact O-CB 3.35Å; Y330-N334 PolarHBondContact O-ND2 2.81Å; G331-N334 PolarHBondContact O-N 2.86Å; G331-N334 VanDerWaalsContact O-N 3.15Å; N334-N337 PolarHBondContact O-N 2.98Å; N334-L338 WeakPolarHBondContact O-CB 3.24Å; N334-L338 PolarHBondContact O-N 3.01Å
335	I	81.8	Confident	80.1	Confident	38 Å²	38	41.2 Å²	41.2	20%	0.195	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-50.5	176.1	-66.6	165.4	0	0	0	110.2	W191 G331 F332 K333 N337 L338 I339	W191-I335 HydrophobicContact CD2-CG2 4.46Å; W191-I335 HydrophobicContact CE3-CG2 3.44Å; W191-I335 VanDerWaalsContact CE3-CG2 3.44Å; W191-I335 HydrophobicContact CZ3-CG2 3.52Å; G331-I335 WeakPolarHBondContact O-CG1 3.15Å; G331-I335 PolarHBondContact O-N 3.38Å; F332-I335 PolarHBondContact O-N 3.44Å; K333-I335 VanDerWaalsContact C-N 3.33Å; I335-N337 VanDerWaalsContact C-N 3.32Å; I335-N337 PolarHBondContact O-N 2.65Å; I335-L338 PolarHBondContact O-N 2.72Å; I335-I339 HydrophobicContact CG2-CG1 4.25Å; I335-I339 WeakPolarHBondContact O-CB 3.45Å; I335-I339 WeakPolarHBondContact O-CG1 3.18Å; I335-I339 PolarHBondContact O-N 2.74Å
336	Q	75.7	Confident	78.6	Confident	34 Å²	34	40 Å²	40	16%	0.159	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-44.7	177.2	-74.3	-175.6	-40	0	0	112	Y194 F332 K333 I339 R340	Y194-Q336 HydrophobicContact CE1-CG 4.37Å; Y194-Q336 HydrophobicContact CE2-CG 3.99Å; F332-Q336 HydrophobicContact CD1-CG 4.07Å; F332-Q336 HydrophobicContact CD2-CG 4.36Å; F332-Q336 HydrophobicContact CE1-CG 3.85Å; F332-Q336 HydrophobicContact CE2-CG 4.08Å; F332-Q336 HydrophobicContact CG-CG 4.37Å; F332-Q336 HydrophobicContact CZ-CG 3.86Å; F332-Q336 WeakPolarHBondContact O-CB 3.26Å; F332-Q336 VanDerWaalsContact O-CG 3.29Å; F332-Q336 WeakPolarHBondContact O-CG 3.31Å; F332-Q336 PolarHBondContact O-N 3.27Å; K333-Q336 PolarHBondContact O-N 2.88Å; Q336-I339 PolarHBondContact O-N 2.89Å; Q336-R340 WeakPolarHBondContact O-CB 3.23Å; Q336-R340 VanDerWaalsContact O-CG 3.24Å; Q336-R340 WeakPolarHBondContact O-CG 3.49Å; Q336-R340 PolarHBondContact O-N 3.47Å
337	N	77.1	Confident	77.1	Confident	18 Å²	18	39.1 Å²	39.1	10%	0.096	19%	0.192	C	C	.	.	H	α-helix	trans	-65.3	-43.2	179.6	-76.3	0.4	0	0	0	111.8	L12 K333 N334 I335 K341	L12-N337 HydrophobicContact CD2-CB 3.73Å; K333-N337 WeakPolarHBondContact O-CB 3.44Å; K333-N337 PolarHBondContact O-N 2.63Å; N334-N337 PolarHBondContact O-N 2.98Å; I335-N337 VanDerWaalsContact C-N 3.32Å; I335-N337 PolarHBondContact O-N 2.65Å; N337-K341 WeakPolarHBondContact O-CG 3.1Å; N337-K341 PolarHBondContact O-N 3.35Å
338	L	83.3	Confident	75.6	Confident	30 Å²	30	40 Å²	40	16%	0.157	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-45.8	175.1	176.2	54.5	0	0	0	111.5	V7 L9 C329 N334 I335 K341 I342	V7-L338 HydrophobicContact CG1-CD1 4.41Å; L9-L338 HydrophobicContact CD2-CD1 3.64Å; L9-L338 HydrophobicContact CD2-CD2 4.45Å; L9-L338 HydrophobicContact CD2-CG 4.5Å; C329-L338 HydrophobicContact CB-CD2 3.89Å; N334-L338 WeakPolarHBondContact O-CB 3.24Å; N334-L338 PolarHBondContact O-N 3.01Å; I335-L338 PolarHBondContact O-N 2.72Å; L338-K341 WeakPolarHBondContact O-CB 3.45Å; L338-K341 PolarHBondContact O-N 2.8Å; L338-I342 HydrophobicContact CD1-CD1 4.01Å; L338-I342 HydrophobicContact CD1-CG1 4.36Å; L338-I342 HydrophobicContact CG-CD1 3.98Å; L338-I342 WeakPolarHBondContact O-CG1 3.08Å; L338-I342 PolarHBondContact O-N 2.9Å
339	I	81.6	Confident	74.2	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-39.5	-178.7	-64.3	-60.3	0	0	0	112.2	I184 W191 Y194 V199 V203 I335 Q336 K341 I342 L343	I184-I339 HydrophobicContact CD1-CD1 3.69Å; W191-I339 HydrophobicContact CH2-CD1 3.3Å; W191-I339 HydrophobicContact CH2-CG1 3.49Å; W191-I339 VanDerWaalsContact CH2-CG1 3.49Å; W191-I339 HydrophobicContact CZ2-CD1 4.13Å; W191-I339 HydrophobicContact CZ3-CD1 3.92Å; W191-I339 HydrophobicContact CZ3-CG1 3.57Å; Y194-I339 HydrophobicContact CE1-CB 4.43Å; Y194-I339 HydrophobicContact CE1-CG2 4.35Å; V199-I339 HydrophobicContact CB-CG2 4.17Å; V199-I339 HydrophobicContact CG1-CG2 3.69Å; V199-I339 HydrophobicContact CG2-CG2 4.24Å; V203-I339 HydrophobicContact CG1-CD1 4.25Å; V203-I339 HydrophobicContact CG1-CG2 4.49Å; V203-I339 HydrophobicContact CG2-CG2 3.92Å; I335-I339 HydrophobicContact CG2-CG1 4.25Å; I335-I339 WeakPolarHBondContact O-CB 3.45Å; I335-I339 WeakPolarHBondContact O-CG1 3.18Å; I335-I339 PolarHBondContact O-N 2.74Å; Q336-I339 PolarHBondContact O-N 2.89Å; I339-K341 PolarHBondContact O-N 3.28Å; I339-I342 HydrophobicContact CD1-CD1 4.12Å; I339-I342 PolarHBondContact O-N 3.45Å; I339-L343 HydrophobicContact CG2-CD1 4.17Å; I339-L343 HydrophobicContact CG2-CG 4.25Å; I339-L343 WeakPolarHBondContact O-CB 3.48Å; I339-L343 WeakPolarHBondContact O-CG 3.36Å; I339-L343 PolarHBondContact O-N 2.69Å
340	R	75.1	Confident	72.8	Confident	124 Å²	124	45.9 Å²	45.9	47%	0.468	21%	0.212	S	C	.	.	H	α-helix	trans	-55.9	-40.3	173.2	-75.5	171.6	-169.4	-179.8	-0	111.6	Q336 L343 V344	Q336-R340 WeakPolarHBondContact O-CB 3.23Å; Q336-R340 VanDerWaalsContact O-CG 3.24Å; Q336-R340 WeakPolarHBondContact O-CG 3.49Å; Q336-R340 PolarHBondContact O-N 3.47Å; R340-L343 WeakPolarHBondContact O-CB 3.48Å; R340-L343 PolarHBondContact O-N 3.21Å; R340-V344 VanDerWaalsContact O-CG2 3.28Å; R340-V344 WeakPolarHBondContact O-CG2 2.98Å; R340-V344 PolarHBondContact O-N 3.14Å
341	K	75.4	Confident	71.6	Confident	54 Å²	54	42.7 Å²	42.7	24%	0.235	20%	0.202	C	C	.	.	H	α-helix	trans	-69.3	-41.9	177	-72.7	171.6	159	-122.4	0	113.1	V7 D11 L12 N337 L338 I339 L343 V344 R345	V7-K341 HydrophobicContact CG1-CB 4.41Å; D11-K341 PolarHBondContact O-NZ 2.83Å; L12-K341 HydrophobicContact CD1-CD 3.78Å; L12-K341 HydrophobicContact CG-CD 3.84Å; N337-K341 WeakPolarHBondContact O-CG 3.1Å; N337-K341 PolarHBondContact O-N 3.35Å; L338-K341 WeakPolarHBondContact O-CB 3.45Å; L338-K341 PolarHBondContact O-N 2.8Å; I339-K341 PolarHBondContact O-N 3.28Å; K341-L343 VanDerWaalsContact C-N 3.3Å; K341-L343 PolarHBondContact O-N 2.82Å; K341-V344 PolarHBondContact O-N 3.43Å; K341-R345 WeakPolarHBondContact O-CB 3.42Å; K341-R345 PolarHBondContact O-N 3.33Å
342	I	77.6	Confident	70.8	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-45.8	173.1	-69.4	166.2	0	0	0	109.5	P182 I184 L206 L338 I339 R345 T346	P182-I342 HydrophobicContact CG-CD1 3.7Å; P182-I342 HydrophobicContact CG-CG1 4.06Å; P182-I342 HydrophobicContact CG-CG2 4.23Å; I184-I342 HydrophobicContact CD1-CD1 4.39Å; L206-I342 HydrophobicContact CD1-CG2 3.7Å; L338-I342 HydrophobicContact CD1-CD1 4.01Å; L338-I342 HydrophobicContact CD1-CG1 4.36Å; L338-I342 HydrophobicContact CG-CD1 3.98Å; L338-I342 WeakPolarHBondContact O-CG1 3.08Å; L338-I342 PolarHBondContact O-N 2.9Å; I339-I342 HydrophobicContact CD1-CD1 4.12Å; I339-I342 PolarHBondContact O-N 3.45Å; I342-R345 PolarHBondContact O-N 3.14Å; I342-T346 WeakPolarHBondContact O-CB 3.33Å; I342-T346 PolarHBondContact O-N 3.24Å; I342-T346 PolarHBondContact O-OG1 2.86Å
343	L	70	Confident	70.1	Confident	28 Å²	28	52.4 Å²	52.4	15%	0.147	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-51	177.2	-78.5	175	0	0	0	112.9	V199 L202 V203 I339 R340 K341 R345 T346 V347	V199-L343 HydrophobicContact CB-CD1 3.87Å; V199-L343 HydrophobicContact CB-CD2 4.48Å; V199-L343 HydrophobicContact CG1-CD1 3.62Å; L202-L343 HydrophobicContact CB-CD2 3.62Å; L202-L343 HydrophobicContact CD1-CD2 3.77Å; L202-L343 HydrophobicContact CG-CD2 4.36Å; V203-L343 HydrophobicContact CG2-CD2 3.56Å; V203-L343 HydrophobicContact CG2-CG 3.92Å; I339-L343 HydrophobicContact CG2-CD1 4.17Å; I339-L343 HydrophobicContact CG2-CG 4.25Å; I339-L343 WeakPolarHBondContact O-CB 3.48Å; I339-L343 WeakPolarHBondContact O-CG 3.36Å; I339-L343 PolarHBondContact O-N 2.69Å; R340-L343 WeakPolarHBondContact O-CB 3.48Å; R340-L343 PolarHBondContact O-N 3.21Å; K341-L343 VanDerWaalsContact C-N 3.3Å; K341-L343 PolarHBondContact O-N 2.82Å; L343-R345 PolarHBondContact O-N 3.49Å; L343-T346 PolarHBondContact O-N 3.07Å; L343-T346 VanDerWaalsContact O-N 3.12Å; L343-V347 WeakPolarHBondContact O-CG2 3.02Å; L343-V347 PolarHBondContact O-N 3.49Å
344	V	68.3	Low	69.5	Low	44 Å²	44	52 Å²	52	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-53.2	-45.6	176.4	163.2	0	0	0	0	110.1	R340 K341 V347 N348 V390	R340-V344 VanDerWaalsContact O-CG2 3.28Å; R340-V344 WeakPolarHBondContact O-CG2 2.98Å; R340-V344 PolarHBondContact O-N 3.14Å; K341-V344 PolarHBondContact O-N 3.43Å; V344-V347 PolarHBondContact O-N 3.31Å; V344-N348 WeakPolarHBondContact O-CB 3.21Å; V344-N348 VanDerWaalsContact O-CG 3.22Å; V344-N348 PolarHBondContact O-N 3.47Å; V344-N348 PolarHBondContact O-ND2 2.99Å; V344-V390 HydrophobicContact CB-CG2 4.44Å; V344-V390 HydrophobicContact CG1-CB 4.32Å; V344-V390 HydrophobicContact CG1-CG2 3.5Å; V344-V390 HydrophobicContact CG2-CG1 4.46Å; V344-V390 HydrophobicContact CG2-CG2 4.01Å
345	R	65.8	Low	68.7	Low	89 Å²	89	53.6 Å²	53.6	34%	0.336	26%	0.257	S	S	.	.	H	α-helix	trans	-65.8	-45.3	178	-178.7	-178.3	167.5	172.8	-2.1	112.3	G5 K341 I342 L343 V347 N348 L349	G5-R345 VanDerWaalsContact C-NH1 3.32Å; G5-R345 PolarHBondContact O-NH1 3.12Å; G5-R345 PolarHBondContact O-NH2 3.45Å; K341-R345 WeakPolarHBondContact O-CB 3.42Å; K341-R345 PolarHBondContact O-N 3.33Å; I342-R345 PolarHBondContact O-N 3.14Å; L343-R345 PolarHBondContact O-N 3.49Å; R345-V347 VanDerWaalsContact C-N 3.33Å; R345-N348 PolarHBondContact O-N 3.32Å; R345-L349 HydrophobicContact CG-CD1 3.96Å; R345-L349 HydrophobicContact CG-CG 4.38Å; R345-L349 WeakPolarHBondContact O-CB 3.49Å; R345-L349 VanDerWaalsContact O-CG 3.26Å; R345-L349 WeakPolarHBondContact O-CG 3.46Å; R345-L349 PolarHBondContact O-N 3.47Å
346	T	64.3	Low	67.8	Low	16 Å²	16	54.7 Å²	54.7	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-49	177.4	-65.7	0	0	0	0	109.7	L202 I342 L343 N348 L349 Y350	L202-T346 HydrophobicContact CB-CG2 4.36Å; L202-T346 HydrophobicContact CD1-CG2 4.38Å; L202-T346 HydrophobicContact CD2-CG2 3.91Å; L202-T346 HydrophobicContact CG-CG2 4.45Å; I342-T346 WeakPolarHBondContact O-CB 3.33Å; I342-T346 PolarHBondContact O-N 3.24Å; I342-T346 PolarHBondContact O-OG1 2.86Å; L343-T346 PolarHBondContact O-N 3.07Å; L343-T346 VanDerWaalsContact O-N 3.12Å; T346-N348 PolarHBondContact O-N 3.41Å; T346-L349 WeakPolarHBondContact O-CB 3.34Å; T346-L349 PolarHBondContact O-N 3.33Å; T346-Y350 HydrophobicContact CG2-CD2 3.58Å; T346-Y350 HydrophobicContact CG2-CE2 3.68Å; T346-Y350 WeakPolarHBondContact O-CD2 3.16Å; T346-Y350 PolarHBondContact O-N 2.85Å
347	V	62.9	Low	66.9	Low	3 Å²	3	53.7 Å²	53.7	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-46.6	176.1	175.9	0	0	0	0	111	L202 L343 V344 R345 L349 Y350 C351 F372 F388	L202-V347 HydrophobicContact CD1-CG2 3.85Å; L343-V347 WeakPolarHBondContact O-CG2 3.02Å; L343-V347 PolarHBondContact O-N 3.49Å; V344-V347 PolarHBondContact O-N 3.31Å; R345-V347 VanDerWaalsContact C-N 3.33Å; V347-L349 PolarHBondContact O-N 3.03Å; V347-Y350 PolarHBondContact O-N 2.99Å; V347-C351 HydrophobicContact CG1-CB 4.19Å; V347-C351 WeakPolarHBondContact O-CA 3.43Å; V347-C351 VanDerWaalsContact O-CB 3.3Å; V347-C351 WeakPolarHBondContact O-CB 3.37Å; V347-C351 PolarHBondContact O-N 3.39Å; V347-F372 HydrophobicContact CG1-CZ 4.13Å; V347-F372 HydrophobicContact CG2-CE2 4.22Å; V347-F372 HydrophobicContact CG2-CZ 3.97Å; V347-F388 HydrophobicContact CG1-CD2 4.42Å; V347-F388 HydrophobicContact CG1-CE1 4.29Å; V347-F388 HydrophobicContact CG1-CE2 3.57Å; V347-F388 HydrophobicContact CG1-CZ 3.49Å; V347-F388 VanDerWaalsContact CG1-CZ 3.49Å
348	N	61	Low	66.2	Low	66 Å²	66	56.9 Å²	56.9	35%	0.353	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-28.7	174.8	-77.2	-25.6	0	0	0	113.7	V344 R345 T346 F388	V344-N348 WeakPolarHBondContact O-CB 3.21Å; V344-N348 VanDerWaalsContact O-CG 3.22Å; V344-N348 PolarHBondContact O-N 3.47Å; V344-N348 PolarHBondContact O-ND2 2.99Å; R345-N348 PolarHBondContact O-N 3.32Å; T346-N348 PolarHBondContact O-N 3.41Å; N348-F388 VanDerWaalsContact OD1-CB 3.29Å; N348-F388 WeakPolarHBondContact OD1-CB 3.41Å; N348-F388 WeakPolarHBondContact OD1-CD2 3.46Å; N348-F388 WeakPolarHBondContact OD1-CG 3.32Å
349	L	60.6	Low	65.3	Low	61 Å²	61	65.7 Å²	65.7	32%	0.319	30%	0.304	S	S	.	.	H	α-helix	trans	-83.5	-30.9	-179.9	-78.6	172.4	0	0	0	113.5	K178 R345 T346 V347	K178-L349 HydrophobicContact CD-CB 4.06Å; K178-L349 HydrophobicContact CD-CD1 4.4Å; K178-L349 HydrophobicContact CD-CD2 4.34Å; K178-L349 PolarHBondContact NZ-O 2.71Å; R345-L349 HydrophobicContact CG-CD1 3.96Å; R345-L349 HydrophobicContact CG-CG 4.38Å; R345-L349 WeakPolarHBondContact O-CB 3.49Å; R345-L349 VanDerWaalsContact O-CG 3.26Å; R345-L349 WeakPolarHBondContact O-CG 3.46Å; R345-L349 PolarHBondContact O-N 3.47Å; T346-L349 WeakPolarHBondContact O-CB 3.34Å; T346-L349 PolarHBondContact O-N 3.33Å; V347-L349 PolarHBondContact O-N 3.03Å
350	Y	59.6	Low	64.3	Low	111 Å²	111	68.4 Å²	68.4	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-98.1	-36.6	-176.8	-77	-75.1	0	0	0	113	K178 T346 V347	K178-Y350 HydrophobicContact CB-CE2 4.45Å; T346-Y350 HydrophobicContact CG2-CD2 3.58Å; T346-Y350 HydrophobicContact CG2-CE2 3.68Å; T346-Y350 WeakPolarHBondContact O-CD2 3.16Å; T346-Y350 PolarHBondContact O-N 2.85Å; V347-Y350 PolarHBondContact O-N 2.99Å
351	C	59.6	Low	63.6	Low	14 Å²	14	62.7 Å²	62.7	10%	0.095	29%	0.293	C	S	.	.			trans	-98.7	104.4	-178.8	-61.1	0	0	0	0	109.9	V347 D356 I357	V347-C351 HydrophobicContact CG1-CB 4.19Å; V347-C351 WeakPolarHBondContact O-CA 3.43Å; V347-C351 VanDerWaalsContact O-CB 3.3Å; V347-C351 WeakPolarHBondContact O-CB 3.37Å; V347-C351 PolarHBondContact O-N 3.39Å; C351-D356 HydrophobicContact CB-CB 4.09Å; C351-I357 HydrophobicContact CB-CD1 4.44Å; C351-I357 HydrophobicContact CB-CG1 3.58Å
352	R	61.9	Low	62.9	Low	198 Å²	198	63.4 Å²	63.4	75%	0.747	32%	0.316	S	S	*	.	S	Bend	trans	-101.5	-8.3	175.4	-66	-176.7	175.9	-177	-3.4	112.4	D356	R352-D356 PolarHBondContact N-OD2 2.89Å
353	S	59.3	Low	62.2	Low	41 Å²	41	67 Å²	67	29%	0.287	34%	0.335	S	S	.	.	S	Bend	trans	-144.9	161.7	-178.9	67.3	0	0	0	0	111.4	A355 D356 I357	S353-A355 PolarHBondContact O-N 2.88Å; S353-D356 PolarHBondContact N-OD2 3.47Å; S353-D356 WeakPolarHBondContact O-CB 3.48Å; S353-D356 PolarHBondContact O-N 3.46Å; S353-D356 VanDerWaalsContact O-N 3.15Å; S353-D356 PolarHBondContact OG-N 2.96Å; S353-D356 PolarHBondContact OG-OD2 3.18Å; S353-I357 PolarHBondContact O-N 2.93Å
354	I	58.1	Low	61.7	Low	88 Å²	88	69.2 Å²	69.2	45%	0.451	35%	0.347	S	S	.	.	H	α-helix	trans	-57.8	-38	173.2	-83.2	157.6	0	0	0	110.2	D356 I357 E358 F386	I354-D356 VanDerWaalsContact C-N 3.29Å; I354-D356 PolarHBondContact O-N 3.38Å; I354-I357 CarbonylContact O-C 3.6Å; I354-I357 WeakPolarHBondContact O-CA 3.47Å; I354-I357 WeakPolarHBondContact O-CB 3.35Å; I354-I357 PolarHBondContact O-N 3.44Å; I354-E358 HydrophobicContact CG2-CG 4.04Å; I354-E358 WeakPolarHBondContact O-CG 3.01Å; I354-E358 PolarHBondContact O-N 3.28Å; I354-F386 HydrophobicContact CB-CE1 4.32Å; I354-F386 HydrophobicContact CB-CZ 4.08Å; I354-F386 HydrophobicContact CD1-CE1 4.3Å; I354-F386 HydrophobicContact CD1-CE2 4.3Å; I354-F386 HydrophobicContact CD1-CZ 3.55Å; I354-F386 HydrophobicContact CG1-CE1 3.7Å; I354-F386 HydrophobicContact CG1-CZ 3.42Å; I354-F386 VanDerWaalsContact CG1-CZ 3.42Å; I354-F386 VanDerWaalsContact N-CE1 3.28Å
355	A	63.5	Low	61.4	Low	58 Å²	58	73 Å²	73	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-35.9	178.7	0	0	0	0	0	112.6	S353 I357 R359	S353-A355 PolarHBondContact O-N 2.88Å; A355-I357 VanDerWaalsContact C-N 3.33Å; A355-R359 WeakPolarHBondContact O-CB 3Å; A355-R359 PolarHBondContact O-N 3.5Å
356	D	63.3	Low	61.2	Low	61 Å²	61	70.1 Å²	70.1	33%	0.326	36%	0.359	S	S	.	.	H	α-helix	trans	-66.5	-38.5	174.3	-60.1	-43.1	0	0	0	111.2	C351 R352 S353 I354 W360	C351-D356 HydrophobicContact CB-CB 4.09Å; R352-D356 PolarHBondContact N-OD2 2.89Å; S353-D356 PolarHBondContact N-OD2 3.47Å; S353-D356 WeakPolarHBondContact O-CB 3.48Å; S353-D356 PolarHBondContact O-N 3.46Å; S353-D356 VanDerWaalsContact O-N 3.15Å; S353-D356 PolarHBondContact OG-N 2.96Å; S353-D356 PolarHBondContact OG-OD2 3.18Å; I354-D356 VanDerWaalsContact C-N 3.29Å; I354-D356 PolarHBondContact O-N 3.38Å; D356-W360 VanDerWaalsContact O-CB 3.27Å; D356-W360 WeakPolarHBondContact O-CB 3.44Å; D356-W360 PolarHBondContact O-N 3.41Å
357	I	56.5	Low	61	Low	12 Å²	12	75.3 Å²	75.3	6%	0.062	38%	0.382	C	S	.	.	H	α-helix	trans	-65.9	-49.3	177	-59	173.4	0	0	0	109.8	C351 S353 I354 A355 R359 W360 L361 L380 F388	C351-I357 HydrophobicContact CB-CD1 4.44Å; C351-I357 HydrophobicContact CB-CG1 3.58Å; S353-I357 PolarHBondContact O-N 2.93Å; I354-I357 CarbonylContact O-C 3.6Å; I354-I357 WeakPolarHBondContact O-CA 3.47Å; I354-I357 WeakPolarHBondContact O-CB 3.35Å; I354-I357 PolarHBondContact O-N 3.44Å; A355-I357 VanDerWaalsContact C-N 3.33Å; I357-R359 VanDerWaalsContact C-N 3.32Å; I357-R359 PolarHBondContact O-N 2.88Å; I357-W360 PolarHBondContact O-N 3.37Å; I357-W360 VanDerWaalsContact O-N 3.13Å; I357-L361 HydrophobicContact CG2-CD1 3.86Å; I357-L361 HydrophobicContact CG2-CG 4.2Å; I357-L361 WeakPolarHBondContact O-CB 3.25Å; I357-L361 VanDerWaalsContact O-CG 3.26Å; I357-L361 WeakPolarHBondContact O-CG 3.08Å; I357-L361 PolarHBondContact O-N 2.84Å; I357-L380 HydrophobicContact CD1-CD1 4.4Å; I357-F388 HydrophobicContact CD1-CE2 4.06Å; I357-F388 HydrophobicContact CD1-CZ 3.93Å
358	E	61.8	Low	60.8	Low	86 Å²	86	79 Å²	79	40%	0.402	40%	0.398	S	S	.	.	H	α-helix	trans	-59.6	-44.1	178.1	-71.6	177.3	160.4	0	0	111.2	I354 W360 L361 G362 L364	I354-E358 HydrophobicContact CG2-CG 4.04Å; I354-E358 WeakPolarHBondContact O-CG 3.01Å; I354-E358 PolarHBondContact O-N 3.28Å; E358-W360 VanDerWaalsContact C-N 3.31Å; E358-W360 PolarHBondContact O-N 2.94Å; E358-L361 PolarHBondContact O-N 3.05Å; E358-G362 PolarHBondContact O-N 3.14Å; E358-L364 HydrophobicContact CG-CD1 4.46Å; E358-L364 HydrophobicContact CG-CD2 4.31Å; E358-L364 HydrophobicContact CG-CG 4.4Å
359	R	65.9	Low	60.7	Low	215 Å²	215	75.9 Å²	75.9	81%	0.811	38%	0.381	S	S	*	.	H	α-helix	trans	-62.2	-38.6	175.2	-168.9	176.3	-167.6	155.2	4.6	112.1	A355 I357 G362	A355-R359 WeakPolarHBondContact O-CB 3Å; A355-R359 PolarHBondContact O-N 3.5Å; I357-R359 VanDerWaalsContact C-N 3.32Å; I357-R359 PolarHBondContact O-N 2.88Å; R359-G362 PolarHBondContact O-N 2.74Å
360	W	60	Low	60.4	Low	59 Å²	59	78 Å²	78	22%	0.223	39%	0.388	C	S	.	.	H	α-helix	trans	-72.8	-35.4	177.5	175.5	76.6	0	0	0	113.2	L202 D356 I357 E358 G362 K368 F372	L202-W360 HydrophobicContact CD1-CH2 4.12Å; L202-W360 HydrophobicContact CD1-CZ2 3.28Å; L202-W360 HydrophobicContact CD2-CZ2 4.48Å; L202-W360 HydrophobicContact CG-CZ2 3.77Å; D356-W360 VanDerWaalsContact O-CB 3.27Å; D356-W360 WeakPolarHBondContact O-CB 3.44Å; D356-W360 PolarHBondContact O-N 3.41Å; I357-W360 PolarHBondContact O-N 3.37Å; I357-W360 VanDerWaalsContact O-N 3.13Å; E358-W360 VanDerWaalsContact C-N 3.31Å; E358-W360 PolarHBondContact O-N 2.94Å; W360-G362 PolarHBondContact O-N 3.05Å; W360-K368 PolarHBondContact O-NZ 3.08Å; W360-F372 AromaticContact CH2-CD2 3.75Å; W360-F372 HydrophobicContact CH2-CD2 3.75Å; W360-F372 AromaticContact CH2-CE2 3.97Å; W360-F372 HydrophobicContact CH2-CE2 3.97Å; W360-F372 HydrophobicContact CH2-CG 4.15Å; W360-F372 HydrophobicContact CZ3-CB 4.4Å; W360-F372 AromaticContact CZ3-CD1 3.94Å; W360-F372 HydrophobicContact CZ3-CD1 3.94Å; W360-F372 AromaticContact CZ3-CD2 3.81Å; W360-F372 HydrophobicContact CZ3-CD2 3.81Å; W360-F372 HydrophobicContact CZ3-CE1 4.14Å; W360-F372 HydrophobicContact CZ3-CE2 4.02Å; W360-F372 AromaticContact CZ3-CG 3.78Å; W360-F372 HydrophobicContact CZ3-CG 3.78Å; W360-F372 HydrophobicContact CZ3-CZ 4.19Å
361	L	60.6	Low	60.2	Low	5 Å²	5	81 Å²	81	3%	0.026	40%	0.399	C	S	.	.	H	α-helix	trans	-68.1	-24	173.8	-74.2	179.3	0	0	0	111.6	I357 E358 D363 L364 S366 A369 F372 L373	I357-L361 HydrophobicContact CG2-CD1 3.86Å; I357-L361 HydrophobicContact CG2-CG 4.2Å; I357-L361 WeakPolarHBondContact O-CB 3.25Å; I357-L361 VanDerWaalsContact O-CG 3.26Å; I357-L361 WeakPolarHBondContact O-CG 3.08Å; I357-L361 PolarHBondContact O-N 2.84Å; E358-L361 PolarHBondContact O-N 3.05Å; L361-D363 PolarHBondContact O-N 2.67Å; L361-L364 HydrophobicContact CD1-CD2 4.27Å; L361-S366 PolarHBondContact O-OG 3.5Å; L361-A369 HydrophobicContact CB-CB 4.17Å; L361-A369 HydrophobicContact CD1-CB 3.97Å; L361-A369 HydrophobicContact CD2-CB 3.87Å; L361-A369 HydrophobicContact CG-CB 4.22Å; L361-F372 HydrophobicContact CD2-CB 4.16Å; L361-F372 HydrophobicContact CD2-CD1 4.46Å; L361-L373 HydrophobicContact CD1-CD1 3.98Å; L361-L373 HydrophobicContact CD1-CD2 3.71Å; L361-L373 HydrophobicContact CD1-CG 3.77Å
362	G	60.2	Low	59.8	Low	69 Å²	69	82.7 Å²	82.7	71%	0.711	40%	0.404	S	S	*	.	S	Bend	trans	74.5	-34.4	-179	0	0	0	0	0	112.8	E358 R359 W360	E358-G362 PolarHBondContact O-N 3.14Å; R359-G362 PolarHBondContact O-N 2.74Å; W360-G362 PolarHBondContact O-N 3.05Å
363	D	63.8	Low	59.2	Low	84 Å²	84	74.5 Å²	74.5	45%	0.449	38%	0.375	S	S	.	.			trans	-163.4	135	171.3	178.2	-1.2	0	0	0	108.8	L361 N365 S366 A369	L361-D363 PolarHBondContact O-N 2.67Å; D363-N365 PolarHBondContact O-N 3.37Å; D363-N365 PolarHBondContact OD1-N 3.05Å; D363-S366 VanDerWaalsContact O-CB 3.29Å; D363-S366 WeakPolarHBondContact O-CB 3.18Å; D363-S366 PolarHBondContact O-N 3.49Å; D363-S366 VanDerWaalsContact O-N 3.09Å; D363-S366 PolarHBondContact O-OG 2.67Å; D363-A369 WeakPolarHBondContact O-CB 3.48Å
364	L	59.3	Low	58.5	Low	74 Å²	74	82.7 Å²	82.7	39%	0.387	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.3	174.6	-74.1	163.2	0	0	0	112.9	E358 L361 A369 L373	E358-L364 HydrophobicContact CG-CD1 4.46Å; E358-L364 HydrophobicContact CG-CD2 4.31Å; E358-L364 HydrophobicContact CG-CG 4.4Å; L361-L364 HydrophobicContact CD1-CD2 4.27Å; L364-A369 WeakPolarHBondContact O-CB 3.47Å; L364-L373 HydrophobicContact CB-CD1 4.47Å; L364-L373 HydrophobicContact CD2-CD1 3.64Å; L364-L373 HydrophobicContact CD2-CD2 4.31Å
365	N	62	Low	57.9	Low	122 Å²	122	83.1 Å²	83.1	65%	0.652	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.1	177	-67.2	-49.8	0	0	0	113.9	D363 K370	D363-N365 PolarHBondContact O-N 3.37Å; D363-N365 PolarHBondContact OD1-N 3.05Å; N365-K370 WeakPolarHBondContact O-CE 3.31Å
366	S	60.7	Low	57.1	Low	30 Å²	30	82 Å²	82	21%	0.21	39%	0.392	C	S	.	.	S	Bend	trans	-62.8	153.8	178.6	68.6	0	0	0	0	111.6	L361 D363 K368 A369 K370	L361-S366 PolarHBondContact O-OG 3.5Å; D363-S366 VanDerWaalsContact O-CB 3.29Å; D363-S366 WeakPolarHBondContact O-CB 3.18Å; D363-S366 PolarHBondContact O-N 3.49Å; D363-S366 VanDerWaalsContact O-N 3.09Å; D363-S366 PolarHBondContact O-OG 2.67Å; S366-K368 PolarHBondContact O-N 3.31Å; S366-A369 CarbonylContact O-C 3.51Å; S366-A369 WeakPolarHBondContact O-CA 3.39Å; S366-A369 WeakPolarHBondContact O-CB 3.47Å; S366-A369 PolarHBondContact O-N 2.97Å; S366-A369 VanDerWaalsContact OG-CB 3.26Å; S366-A369 WeakPolarHBondContact OG-CB 3.29Å; S366-A369 PolarHBondContact OG-N 3.31Å; S366-K370 PolarHBondContact O-N 3.47Å
367	E	60.7	Low	56.2	Low	125 Å²	125	85 Å²	85	58%	0.584	40%	0.399	S	S	*	.	H	α-helix	trans	-59.4	-31.4	172.7	-77.1	-57.6	131.3	0	0	112.3	K370 R371	E367-K370 PolarHBondContact O-N 2.71Å; E367-K370 WeakPolarHBondContact OE1-CD 3.41Å; E367-K370 IonicContact OE1-NZ 2.81Å; E367-K370 PolarHBondContact OE1-NZ 2.74Å; E367-R371 WeakPolarHBondContact O-CB 3.47Å; E367-R371 PolarHBondContact O-N 2.85Å
368	K	58.1	Low	55.6	Low	80 Å²	80	91.2 Å²	91.2	35%	0.348	43%	0.428	S	S	.	.	H	α-helix	trans	-61.3	-47.7	172.4	-173.2	-177.1	179.6	-171.7	0	110.8	W360 S366 R371 F372	W360-K368 PolarHBondContact O-NZ 3.08Å; S366-K368 PolarHBondContact O-N 3.31Å; K368-R371 PolarHBondContact O-N 2.85Å; K368-F372 WeakPolarHBondContact O-CB 3.4Å; K368-F372 PolarHBondContact O-N 3.19Å
369	A	58.5	Low	54.7	Low	0 Å²	0	89.4 Å²	89.4	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-65.4	-44.8	175.8	0	0	0	0	0	112.4	L361 D363 L364 S366 R371 F372 L373	L361-A369 HydrophobicContact CB-CB 4.17Å; L361-A369 HydrophobicContact CD1-CB 3.97Å; L361-A369 HydrophobicContact CD2-CB 3.87Å; L361-A369 HydrophobicContact CG-CB 4.22Å; D363-A369 WeakPolarHBondContact O-CB 3.48Å; L364-A369 WeakPolarHBondContact O-CB 3.47Å; S366-A369 CarbonylContact O-C 3.51Å; S366-A369 WeakPolarHBondContact O-CA 3.39Å; S366-A369 WeakPolarHBondContact O-CB 3.47Å; S366-A369 PolarHBondContact O-N 2.97Å; S366-A369 VanDerWaalsContact OG-CB 3.26Å; S366-A369 WeakPolarHBondContact OG-CB 3.29Å; S366-A369 PolarHBondContact OG-N 3.31Å; A369-R371 VanDerWaalsContact C-N 3.32Å; A369-R371 PolarHBondContact O-N 3.25Å; A369-F372 PolarHBondContact O-N 3.17Å; A369-F372 VanDerWaalsContact O-N 3.15Å; A369-L373 HydrophobicContact CB-CD1 3.71Å; A369-L373 HydrophobicContact CB-CG 4.26Å; A369-L373 WeakPolarHBondContact O-CA 3.31Å; A369-L373 WeakPolarHBondContact O-CB 3.44Å; A369-L373 VanDerWaalsContact O-CG 3.27Å; A369-L373 WeakPolarHBondContact O-CG 3.37Å; A369-L373 PolarHBondContact O-N 2.78Å
370	K	55.9	Low	53.6	Low	107 Å²	107	81.3 Å²	81.3	47%	0.465	40%	0.401	S	S	.	.	H	α-helix	trans	-58.9	-41.9	175.5	-67.9	179.1	-164.2	163	0	112.5	N365 S366 E367 R374	N365-K370 WeakPolarHBondContact O-CE 3.31Å; S366-K370 PolarHBondContact O-N 3.47Å; E367-K370 PolarHBondContact O-N 2.71Å; E367-K370 WeakPolarHBondContact OE1-CD 3.41Å; E367-K370 IonicContact OE1-NZ 2.81Å; E367-K370 PolarHBondContact OE1-NZ 2.74Å; K370-R374 WeakPolarHBondContact O-CB 3.41Å; K370-R374 PolarHBondContact O-N 2.88Å
371	R	53.7	Low	52.7	Low	173 Å²	173	86.3 Å²	86.3	65%	0.653	42%	0.424	S	S	*	.	H	α-helix	trans	-64.2	-41.6	175	-86.9	-177	171.4	-174.3	-1.5	112.5	K197 E367 K368 A369	K197-R371 PolarHBondContact O-NH1 3.16Å; E367-R371 WeakPolarHBondContact O-CB 3.47Å; E367-R371 PolarHBondContact O-N 2.85Å; K368-R371 PolarHBondContact O-N 2.85Å; A369-R371 VanDerWaalsContact C-N 3.32Å; A369-R371 PolarHBondContact O-N 3.25Å
372	F	51.5	Low	52.1	Low	49 Å²	49	94.2 Å²	94.2	22%	0.215	46%	0.461	C	S	.	.	H	α-helix	trans	-82.6	-53.6	-175.4	-165.2	-92.3	0	0	0	112.7	V347 W360 L361 K368 A369 R374 T375 Q376 F388	V347-F372 HydrophobicContact CG1-CZ 4.13Å; V347-F372 HydrophobicContact CG2-CE2 4.22Å; V347-F372 HydrophobicContact CG2-CZ 3.97Å; W360-F372 AromaticContact CH2-CD2 3.75Å; W360-F372 HydrophobicContact CH2-CD2 3.75Å; W360-F372 AromaticContact CH2-CE2 3.97Å; W360-F372 HydrophobicContact CH2-CE2 3.97Å; W360-F372 HydrophobicContact CH2-CG 4.15Å; W360-F372 HydrophobicContact CZ3-CB 4.4Å; W360-F372 AromaticContact CZ3-CD1 3.94Å; W360-F372 HydrophobicContact CZ3-CD1 3.94Å; W360-F372 AromaticContact CZ3-CD2 3.81Å; W360-F372 HydrophobicContact CZ3-CD2 3.81Å; W360-F372 HydrophobicContact CZ3-CE1 4.14Å; W360-F372 HydrophobicContact CZ3-CE2 4.02Å; W360-F372 AromaticContact CZ3-CG 3.78Å; W360-F372 HydrophobicContact CZ3-CG 3.78Å; W360-F372 HydrophobicContact CZ3-CZ 4.19Å; L361-F372 HydrophobicContact CD2-CB 4.16Å; L361-F372 HydrophobicContact CD2-CD1 4.46Å; K368-F372 WeakPolarHBondContact O-CB 3.4Å; K368-F372 PolarHBondContact O-N 3.19Å; A369-F372 PolarHBondContact O-N 3.17Å; A369-F372 VanDerWaalsContact O-N 3.15Å; F372-R374 PolarHBondContact O-N 2.86Å; F372-T375 PolarHBondContact O-N 2.87Å; F372-Q376 HydrophobicContact CE1-CG 4.44Å; F372-Q376 PolarHBondContact O-N 2.94Å; F372-F388 HydrophobicContact CE1-CE1 4.13Å; F372-F388 HydrophobicContact CE1-CZ 4.28Å; F372-F388 HydrophobicContact CZ-CE1 4.25Å; F372-F388 HydrophobicContact CZ-CZ 4.48Å
373	L	49.5	Very low	51.2	Low	27 Å²	27	94.7 Å²	94.7	14%	0.141	45%	0.447	C	S	.	.	H	α-helix	trans	-62.6	-38.4	-178.2	-67.2	171.1	0	0	0	112.9	L361 L364 A369 T375 Q376 Y377	L361-L373 HydrophobicContact CD1-CD1 3.98Å; L361-L373 HydrophobicContact CD1-CD2 3.71Å; L361-L373 HydrophobicContact CD1-CG 3.77Å; L364-L373 HydrophobicContact CB-CD1 4.47Å; L364-L373 HydrophobicContact CD2-CD1 3.64Å; L364-L373 HydrophobicContact CD2-CD2 4.31Å; A369-L373 HydrophobicContact CB-CD1 3.71Å; A369-L373 HydrophobicContact CB-CG 4.26Å; A369-L373 WeakPolarHBondContact O-CA 3.31Å; A369-L373 WeakPolarHBondContact O-CB 3.44Å; A369-L373 VanDerWaalsContact O-CG 3.27Å; A369-L373 WeakPolarHBondContact O-CG 3.37Å; A369-L373 PolarHBondContact O-N 2.78Å; L373-T375 PolarHBondContact O-N 2.75Å; L373-Q376 PolarHBondContact O-N 2.78Å; L373-Y377 HydrophobicContact CD2-CD2 4.02Å; L373-Y377 HydrophobicContact CD2-CG 4.33Å; L373-Y377 VanDerWaalsContact O-CB 3.28Å; L373-Y377 WeakPolarHBondContact O-CB 3.47Å; L373-Y377 PolarHBondContact O-N 3.25Å
374	R	44.4	Very low	50.3	Low	213 Å²	213	99 Å²	99	80%	0.804	47%	0.47	S	S	*	.	H	α-helix	trans	-58.7	-25	-178	-167.2	175.3	-171.2	-171.4	2.5	112.6	K370 F372	K370-R374 WeakPolarHBondContact O-CB 3.41Å; K370-R374 PolarHBondContact O-N 2.88Å; F372-R374 PolarHBondContact O-N 2.86Å
375	T	45.9	Very low	49.4	Very low	96 Å²	96	97.8 Å²	97.8	59%	0.589	47%	0.468	S	S	*	.	H	α-helix	trans	-96.8	-14.8	177.6	-20.6	0	0	0	0	113.4	F372 L373	F372-T375 PolarHBondContact O-N 2.87Å; L373-T375 PolarHBondContact O-N 2.75Å
376	Q	48	Very low	48.4	Very low	36 Å²	36	97 Å²	97	17%	0.168	46%	0.459	C	S	.	.	H	α-helix	trans	-131.6	-30.5	-165	-62.8	-65	-73.6	0	0	114.8	F372 L373 E378 A379 L380 F388	F372-Q376 HydrophobicContact CE1-CG 4.44Å; F372-Q376 PolarHBondContact O-N 2.94Å; L373-Q376 PolarHBondContact O-N 2.78Å; Q376-E378 VanDerWaalsContact C-N 3.32Å; Q376-E378 PolarHBondContact O-N 3.26Å; Q376-A379 PolarHBondContact O-N 2.72Å; Q376-L380 PolarHBondContact O-N 3.08Å; Q376-F388 HydrophobicContact CB-CE1 4.4Å; Q376-F388 HydrophobicContact CG-CE1 4.46Å
377	Y	42.8	Very low	47.4	Very low	123 Å²	123	99.1 Å²	99.1	48%	0.482	47%	0.473	S	S	.	.	H	α-helix	trans	-63.7	-39.2	179.7	-176.4	-100.1	0	0	0	111.7	L373 A379 L380 K381	L373-Y377 HydrophobicContact CD2-CD2 4.02Å; L373-Y377 HydrophobicContact CD2-CG 4.33Å; L373-Y377 VanDerWaalsContact O-CB 3.28Å; L373-Y377 WeakPolarHBondContact O-CB 3.47Å; L373-Y377 PolarHBondContact O-N 3.25Å; Y377-A379 VanDerWaalsContact C-N 3.3Å; Y377-A379 PolarHBondContact O-N 3.25Å; Y377-L380 PolarHBondContact O-N 3.17Å; Y377-K381 HydrophobicContact CE1-CD 4.31Å; Y377-K381 WeakPolarHBondContact O-CB 3.4Å; Y377-K381 PolarHBondContact O-N 2.7Å
378	E	44.2	Very low	46.3	Very low	142 Å²	142	94.2 Å²	94.2	66%	0.664	45%	0.45	S	S	*	.	H	α-helix	trans	-62.1	-39.3	175.5	-66.3	-176.8	171	0	0	111.2	Q376 K381	Q376-E378 VanDerWaalsContact C-N 3.32Å; Q376-E378 PolarHBondContact O-N 3.26Å; E378-K381 PolarHBondContact O-N 2.71Å
379	A	43.8	Very low	45.1	Very low	49 Å²	49	94.9 Å²	94.9	41%	0.405	46%	0.457	S	S	.	.	H	α-helix	trans	-70.8	-35.5	177.2	0	0	0	0	0	113.6	Q376 Y377	Q376-A379 PolarHBondContact O-N 2.72Å; Y377-A379 VanDerWaalsContact C-N 3.3Å; Y377-A379 PolarHBondContact O-N 3.25Å
380	L	42.3	Very low	43.9	Very low	45 Å²	45	97.4 Å²	97.4	24%	0.236	47%	0.473	C	S	.	.	H	α-helix	trans	-72.1	-33.2	176.3	-83.3	160.1	0	0	0	112.5	I357 Q376 Y377 E382 F388	I357-L380 HydrophobicContact CD1-CD1 4.4Å; Q376-L380 PolarHBondContact O-N 3.08Å; Y377-L380 PolarHBondContact O-N 3.17Å; L380-E382 VanDerWaalsContact C-N 3.27Å; L380-E382 PolarHBondContact O-N 2.94Å; L380-F388 HydrophobicContact CD1-CE1 4.3Å; L380-F388 HydrophobicContact CD1-CZ 4.34Å
381	K	42.1	Very low	42.4	Very low	164 Å²	164	99.9 Å²	99.9	71%	0.713	49%	0.486	S	S	*	.	H	α-helix	trans	-69.5	-25.9	-179.4	-163.4	-177.7	178.4	-169.7	0	112.6	Y377 E378	Y377-K381 HydrophobicContact CE1-CD 4.31Å; Y377-K381 WeakPolarHBondContact O-CB 3.4Å; Y377-K381 PolarHBondContact O-N 2.7Å; E378-K381 PolarHBondContact O-N 2.71Å
382	E	47.8	Very low	41.2	Very low	171 Å²	171	102.7 Å²	102.7	80%	0.799	50%	0.497	S	S	*	.	H	α-helix	trans	-91.8	-18.2	-179.2	-69.8	-173	167.1	0	0	114	L380	L380-E382 VanDerWaalsContact C-N 3.27Å; L380-E382 PolarHBondContact O-N 2.94Å
383	N	41.4	Very low	40.6	Very low	79 Å²	79	105.4 Å²	105.4	42%	0.422	51%	0.511	S	S	.	.			trans	-121.1	114.8	-178.8	-83.6	-51	0	0	0	111.5	S385	N383-S385 PolarHBondContact O-N 3.07Å
384	D	43.7	Very low	40.2	Very low	175 Å²	175	109.5 Å²	109.5	94%	0.936	53%	0.53	S	S	*	.	S	Bend	trans	-61.1	-5.9	170.2	-86.8	-21.9	0	0	0	113.4	F386	D384-F386 PolarHBondContact O-N 3.42Å
385	S	40.2	Very low	39.9	Very low	48 Å²	48	103.7 Å²	103.7	34%	0.336	52%	0.515	S	S	.	.			trans	-82.5	110.5	173.4	71.5	0	0	0	0	110.9	N383 S387	N383-S385 PolarHBondContact O-N 3.07Å; S385-S387 PolarHBondContact O-N 2.83Å; S385-S387 VanDerWaalsContact O-N 3.13Å; S385-S387 VanDerWaalsContact O-O 3.1Å
386	F	42.2	Very low	39.6	Very low	106 Å²	106	104.2 Å²	104.2	47%	0.465	51%	0.511	S	S	.	.			trans	-67.6	-3.2	175.8	-105.6	-86.4	0	0	0	115.7	I354 D384 F388	I354-F386 HydrophobicContact CB-CE1 4.32Å; I354-F386 HydrophobicContact CB-CZ 4.08Å; I354-F386 HydrophobicContact CD1-CE1 4.3Å; I354-F386 HydrophobicContact CD1-CE2 4.3Å; I354-F386 HydrophobicContact CD1-CZ 3.55Å; I354-F386 HydrophobicContact CG1-CE1 3.7Å; I354-F386 HydrophobicContact CG1-CZ 3.42Å; I354-F386 VanDerWaalsContact CG1-CZ 3.42Å; I354-F386 VanDerWaalsContact N-CE1 3.28Å; D384-F386 PolarHBondContact O-N 3.42Å; F386-F388 PolarHBondContact O-N 2.99Å
387	S	39.3	Very low	39.1	Very low	73 Å²	73	108.4 Å²	108.4	51%	0.51	53%	0.532	S	S	.	.	S	Bend	trans	-67.3	121.3	163.1	52.2	0	0	0	0	106.7	S385 N389	S385-S387 PolarHBondContact O-N 2.83Å; S385-S387 VanDerWaalsContact O-N 3.13Å; S385-S387 VanDerWaalsContact O-O 3.1Å; S387-N389 PolarHBondContact O-N 3.16Å
388	F	37.7	Very low	38.8	Very low	22 Å²	22	107.5 Å²	107.5	10%	0.096	54%	0.535	C	S	.	.			trans	-52.4	100.4	164.1	-79.3	-104.4	0	0	0	106.6	V347 N348 I357 F372 Q376 L380 F386 V390	V347-F388 HydrophobicContact CG1-CD2 4.42Å; V347-F388 HydrophobicContact CG1-CE1 4.29Å; V347-F388 HydrophobicContact CG1-CE2 3.57Å; V347-F388 HydrophobicContact CG1-CZ 3.49Å; V347-F388 VanDerWaalsContact CG1-CZ 3.49Å; N348-F388 VanDerWaalsContact OD1-CB 3.29Å; N348-F388 WeakPolarHBondContact OD1-CB 3.41Å; N348-F388 WeakPolarHBondContact OD1-CD2 3.46Å; N348-F388 WeakPolarHBondContact OD1-CG 3.32Å; I357-F388 HydrophobicContact CD1-CE2 4.06Å; I357-F388 HydrophobicContact CD1-CZ 3.93Å; F372-F388 HydrophobicContact CE1-CE1 4.13Å; F372-F388 HydrophobicContact CE1-CZ 4.28Å; F372-F388 HydrophobicContact CZ-CE1 4.25Å; F372-F388 HydrophobicContact CZ-CZ 4.48Å; Q376-F388 HydrophobicContact CB-CE1 4.4Å; Q376-F388 HydrophobicContact CG-CE1 4.46Å; L380-F388 HydrophobicContact CD1-CE1 4.3Å; L380-F388 HydrophobicContact CD1-CZ 4.34Å; F386-F388 PolarHBondContact O-N 2.99Å; F388-V390 HydrophobicContact CB-CG2 3.9Å; F388-V390 PolarHBondContact O-N 3.22Å
389	N	32.5	Very low	38.4	Very low	94 Å²	94	105 Å²	105	50%	0.503	53%	0.526	S	S	.	.			trans	-81	73.6	179.4	-145.1	-4.5	0	0	0	103.8	S387 Q391	S387-N389 PolarHBondContact O-N 3.16Å; N389-Q391 PolarHBondContact O-N 2.76Å
390	V	32.8	Very low	38	Very low	53 Å²	53	109.3 Å²	109.3	32%	0.321	54%	0.535	S	S	.	.			trans	-70	80.1	172.8	-178.3	0	0	0	0	104.8	V344 F388 W392	V344-V390 HydrophobicContact CB-CG2 4.44Å; V344-V390 HydrophobicContact CG1-CB 4.32Å; V344-V390 HydrophobicContact CG1-CG2 3.5Å; V344-V390 HydrophobicContact CG2-CG1 4.46Å; V344-V390 HydrophobicContact CG2-CG2 4.01Å; F388-V390 HydrophobicContact CB-CG2 3.9Å; F388-V390 PolarHBondContact O-N 3.22Å; V390-W392 VanDerWaalsContact C-N 3.27Å; V390-W392 HydrophobicContact CG1-CG 4.49Å; V390-W392 PolarHBondContact O-N 2.79Å; V390-W392 VanDerWaalsContact O-N 3.08Å
391	Q	23.8	Very low	37.7	Very low	160 Å²	160	114.7 Å²	114.7	75%	0.748	56%	0.56	S	S	*	*			trans	-66.8	95.8	158.2	-77.3	-168.3	-18.8	0	0	106	N389	N389-Q391 PolarHBondContact O-N 2.76Å
392	W	28.5	Very low	37.3	Very low	231 Å²	231	110.2 Å²	110.2	88%	0.875	55%	0.546	S	S	*	.			trans	-144	0	154.6	-64.4	102.1	0	0	0	108	V390	V390-W392 VanDerWaalsContact C-N 3.27Å; V390-W392 HydrophobicContact CG1-CG 4.49Å; V390-W392 PolarHBondContact O-N 2.79Å; V390-W392 VanDerWaalsContact O-N 3.08Å

Retrieved 392 of 392 residues in 162.3 ms (Link to these results)

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