A0A3Q0KQ51_SCHMA Loading...

MUTSd domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ51, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 750 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.8	Very low	37.9	Very low	177 Å²	177	97.5 Å²	97.5	87%	0.872	48%	0.48	S	S	*	.				0	-57.7	0	-138	175.6	87.1	0	0	112.6	M3 N4 K5	M1-M3 PolarHBondContact O-N 3.22Å; M1-N4 PolarHBondContact O-N 3.21Å; M1-K5 PolarHBondContact O-N 3.25Å; M1-K5 VanDerWaalsContact O-N 3.08Å
2	I	31.2	Very low	38.2	Very low	133 Å²	133	96.2 Å²	96.2	68%	0.682	49%	0.486	S	S	*	.	H	α-helix	trans	-62.8	-40.3	176.8	-62.8	171.8	0	0	0	111.8	K5 L6	I2-K5 PolarHBondContact O-N 3.46Å; I2-L6 HydrophobicContact CG2-CD1 4.41Å; I2-L6 PolarHBondContact O-N 3.29Å; I2-L6 VanDerWaalsContact O-N 3.09Å
3	M	34.6	Very low	38.4	Very low	69 Å²	69	92.8 Å²	92.8	34%	0.34	47%	0.469	S	S	.	.	H	α-helix	trans	-70.6	-40.4	176.8	-109.5	-149.9	-84.1	0	0	114.1	M1 K5 L6 I7 L645 A648	M1-M3 PolarHBondContact O-N 3.22Å; M3-K5 VanDerWaalsContact C-N 3.26Å; M3-K5 PolarHBondContact O-N 3.33Å; M3-L6 WeakPolarHBondContact O-CB 3.41Å; M3-L6 PolarHBondContact O-N 3Å; M3-L6 VanDerWaalsContact O-N 3.1Å; M3-I7 WeakPolarHBondContact O-CG1 3.49Å; M3-I7 PolarHBondContact O-N 3.3Å; M3-L645 HydrophobicContact CE-CB 4.37Å; M3-L645 HydrophobicContact CE-CD2 3.18Å; M3-L645 HydrophobicContact CE-CG 3.45Å; M3-L645 VanDerWaalsContact CE-CG 3.45Å; M3-L645 HydrophobicContact SD-CD2 3.38Å; M3-L645 WeakPolarHBondContact SD-CD2 3.49Å; M3-L645 HydrophobicContact SD-CG 4.27Å; M3-A648 HydrophobicContact SD-CB 4.37Å
4	N	37.5	Very low	38.4	Very low	104 Å²	104	91.5 Å²	91.5	56%	0.556	47%	0.473	S	S	*	.	H	α-helix	trans	-60.4	-38.6	173	-68	15.7	0	0	0	111	M1 L6 I7 D8	M1-N4 PolarHBondContact O-N 3.21Å; N4-L6 PolarHBondContact O-N 3.04Å; N4-I7 PolarHBondContact O-N 2.9Å; N4-D8 WeakPolarHBondContact O-CB 3.46Å; N4-D8 VanDerWaalsContact O-CG 3.25Å; N4-D8 PolarHBondContact O-N 3.01Å
5	K	39.2	Very low	38.5	Very low	132 Å²	132	98.7 Å²	98.7	57%	0.574	49%	0.492	S	S	*	.	H	α-helix	trans	-61.5	-41.8	172.7	-77	-173.5	174.4	-171.4	0	112.5	M1 I2 M3 H9	M1-K5 PolarHBondContact O-N 3.25Å; M1-K5 VanDerWaalsContact O-N 3.08Å; I2-K5 PolarHBondContact O-N 3.46Å; M3-K5 VanDerWaalsContact C-N 3.26Å; M3-K5 PolarHBondContact O-N 3.33Å; K5-H9 WeakPolarHBondContact O-CB 3.37Å; K5-H9 PolarHBondContact O-CD2 2.73Å; K5-H9 VanDerWaalsContact O-CD2 3.23Å; K5-H9 PolarHBondContact O-N 2.79Å
6	L	38.5	Very low	38.7	Very low	72 Å²	72	96.8 Å²	96.8	38%	0.377	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-42.5	175.3	-83.5	157.3	0	0	0	111.9	I2 M3 N4 H9 M10	I2-L6 HydrophobicContact CG2-CD1 4.41Å; I2-L6 PolarHBondContact O-N 3.29Å; I2-L6 VanDerWaalsContact O-N 3.09Å; M3-L6 WeakPolarHBondContact O-CB 3.41Å; M3-L6 PolarHBondContact O-N 3Å; M3-L6 VanDerWaalsContact O-N 3.1Å; N4-L6 PolarHBondContact O-N 3.04Å; L6-H9 PolarHBondContact O-N 2.84Å; L6-M10 WeakPolarHBondContact O-CG 3.39Å; L6-M10 PolarHBondContact O-N 3.46Å; L6-M10 VanDerWaalsContact O-N 3.09Å
7	I	40.9	Very low	38.7	Very low	38 Å²	38	97.4 Å²	97.4	20%	0.195	49%	0.489	C	S	.	.	H	α-helix	trans	-67.1	-46.2	178.6	-68.7	166	0	0	0	111.3	M3 N4 H9 M10 F11 A648 F652	M3-I7 WeakPolarHBondContact O-CG1 3.49Å; M3-I7 PolarHBondContact O-N 3.3Å; N4-I7 PolarHBondContact O-N 2.9Å; I7-H9 VanDerWaalsContact C-N 3.32Å; I7-H9 PolarHBondContact O-N 3.41Å; I7-M10 PolarHBondContact O-N 3.44Å; I7-M10 VanDerWaalsContact O-N 3.16Å; I7-F11 HydrophobicContact CG2-CD2 3.97Å; I7-F11 HydrophobicContact CG2-CE2 4.06Å; I7-F11 WeakPolarHBondContact O-CD2 3.28Å; I7-F11 PolarHBondContact O-N 3.42Å; I7-A648 HydrophobicContact CD1-CB 4.32Å; I7-F652 HydrophobicContact CG2-CD2 3.96Å
8	D	43.1	Very low	38.8	Very low	102 Å²	102	100.8 Å²	100.8	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-61.4	-40.1	176.8	-73.3	-24.4	0	0	0	111.3	N4 M10 F11 C12	N4-D8 WeakPolarHBondContact O-CB 3.46Å; N4-D8 VanDerWaalsContact O-CG 3.25Å; N4-D8 PolarHBondContact O-N 3.01Å; D8-M10 PolarHBondContact O-N 3.02Å; D8-F11 PolarHBondContact O-N 3.14Å; D8-C12 PolarHBondContact O-N 3.02Å
9	H	43.8	Very low	38.6	Very low	109 Å²	109	101.6 Å²	101.6	51%	0.505	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-41.7	174.2	-95.5	-83.7	0	0	0	112.2	K5 L6 I7 F11 C12 I13	K5-H9 WeakPolarHBondContact O-CB 3.37Å; K5-H9 PolarHBondContact O-CD2 2.73Å; K5-H9 VanDerWaalsContact O-CD2 3.23Å; K5-H9 PolarHBondContact O-N 2.79Å; L6-H9 PolarHBondContact O-N 2.84Å; I7-H9 VanDerWaalsContact C-N 3.32Å; I7-H9 PolarHBondContact O-N 3.41Å; H9-F11 PolarHBondContact O-N 3.33Å; H9-C12 PolarHBondContact O-N 3.49Å; H9-I13 WeakPolarHBondContact O-CG1 3.5Å; H9-I13 PolarHBondContact O-N 3.12Å
10	M	38.1	Very low	38.5	Very low	69 Å²	69	105.5 Å²	105.5	34%	0.34	51%	0.511	S	S	.	.	H	α-helix	trans	-65.5	-36.5	176.8	-71	-178.6	75.9	0	0	112.6	L6 I7 D8 L619 F652	L6-M10 WeakPolarHBondContact O-CG 3.39Å; L6-M10 PolarHBondContact O-N 3.46Å; L6-M10 VanDerWaalsContact O-N 3.09Å; I7-M10 PolarHBondContact O-N 3.44Å; I7-M10 VanDerWaalsContact O-N 3.16Å; D8-M10 PolarHBondContact O-N 3.02Å; M10-L619 HydrophobicContact CE-CB 4.43Å; M10-F652 HydrophobicContact CB-CE2 4.02Å; M10-F652 HydrophobicContact CB-CZ 4.17Å; M10-F652 HydrophobicContact CE-CE1 4.02Å; M10-F652 HydrophobicContact CE-CE2 4.44Å; M10-F652 HydrophobicContact CE-CZ 3.61Å; M10-F652 HydrophobicContact SD-CE2 4.41Å; M10-F652 HydrophobicContact SD-CZ 4.12Å
11	F	40.6	Very low	38.6	Very low	68 Å²	68	105.4 Å²	105.4	30%	0.298	51%	0.513	S	S	.	.	H	α-helix	trans	-69.4	-40.1	175.4	-91.6	-76.8	0	0	0	113	I7 D8 H9 I13 S14 R15 F652 L655	I7-F11 HydrophobicContact CG2-CD2 3.97Å; I7-F11 HydrophobicContact CG2-CE2 4.06Å; I7-F11 WeakPolarHBondContact O-CD2 3.28Å; I7-F11 PolarHBondContact O-N 3.42Å; D8-F11 PolarHBondContact O-N 3.14Å; H9-F11 PolarHBondContact O-N 3.33Å; F11-I13 VanDerWaalsContact C-N 3.33Å; F11-I13 PolarHBondContact O-N 3.3Å; F11-S14 PolarHBondContact O-N 2.93Å; F11-R15 PolarHBondContact O-N 2.72Å; F11-F652 HydrophobicContact CD2-CD2 4.27Å; F11-F652 HydrophobicContact CD2-CE2 4.07Å; F11-F652 AromaticContact CE2-CD2 3.67Å; F11-F652 HydrophobicContact CE2-CD2 3.67Å; F11-F652 AromaticContact CE2-CE2 3.8Å; F11-F652 HydrophobicContact CE2-CE2 3.8Å; F11-F652 HydrophobicContact CZ-CD2 4.38Å; F11-F652 HydrophobicContact CZ-CE2 4.43Å; F11-L655 HydrophobicContact CZ-CB 3.81Å
12	C	41.7	Very low	39.2	Very low	81 Å²	81	105.3 Å²	105.3	55%	0.547	51%	0.507	S	S	.	.	H	α-helix	trans	-58.8	-42.3	177	-98.4	0	0	0	0	112.2	D8 H9 S14 R15 C16	D8-C12 PolarHBondContact O-N 3.02Å; H9-C12 PolarHBondContact O-N 3.49Å; C12-S14 PolarHBondContact O-N 2.92Å; C12-R15 PolarHBondContact O-N 2.91Å; C12-C16 WeakPolarHBondContact O-CB 3.21Å; C12-C16 PolarHBondContact O-N 3.5Å; C12-C16 PolarHBondContact O-SG 3.22Å; C12-C16 VanDerWaalsContact O-SG 3.34Å
13	I	40.2	Very low	39.4	Very low	52 Å²	52	105 Å²	105	27%	0.267	50%	0.503	S	S	.	.	H	α-helix	trans	-62.2	-42.9	-178.7	-65.9	165.9	0	0	0	111.5	H9 F11 R15 C16 K17 F138	H9-I13 WeakPolarHBondContact O-CG1 3.5Å; H9-I13 PolarHBondContact O-N 3.12Å; F11-I13 VanDerWaalsContact C-N 3.33Å; F11-I13 PolarHBondContact O-N 3.3Å; I13-R15 PolarHBondContact O-N 3.2Å; I13-C16 PolarHBondContact O-N 3.34Å; I13-K17 PolarHBondContact O-N 3.47Å; I13-K17 VanDerWaalsContact O-N 3.08Å; I13-F138 HydrophobicContact CD1-CB 4.41Å
14	S	38.8	Very low	39.5	Very low	75 Å²	75	104 Å²	104	52%	0.524	50%	0.501	S	S	.	.	H	α-helix	trans	-65	-38.3	179	127	0	0	0	0	112.7	F11 C12	F11-S14 PolarHBondContact O-N 2.93Å; C12-S14 PolarHBondContact O-N 2.92Å
15	R	39.8	Very low	39.6	Very low	199 Å²	199	109.6 Å²	109.6	75%	0.751	52%	0.515	S	S	*	.	H	α-helix	trans	-71.9	-44.3	176.2	-96.3	-175.5	172.2	173.8	-1.3	112.1	F11 C12 I13 K17 K18 Q19	F11-R15 PolarHBondContact O-N 2.72Å; C12-R15 PolarHBondContact O-N 2.91Å; I13-R15 PolarHBondContact O-N 3.2Å; R15-K17 PolarHBondContact O-N 2.81Å; R15-K18 PolarHBondContact O-N 3.04Å; R15-Q19 PolarHBondContact O-N 3.42Å
16	C	41.1	Very low	39.5	Very low	69 Å²	69	111.7 Å²	111.7	47%	0.466	53%	0.526	S	S	.	.	H	α-helix	trans	-57.4	-38.7	176.7	-74.4	0	0	0	0	111.3	C12 I13 K18 Q19 W20	C12-C16 WeakPolarHBondContact O-CB 3.21Å; C12-C16 PolarHBondContact O-N 3.5Å; C12-C16 PolarHBondContact O-SG 3.22Å; C12-C16 VanDerWaalsContact O-SG 3.34Å; I13-C16 PolarHBondContact O-N 3.34Å; C16-K18 PolarHBondContact O-N 3.36Å; C16-Q19 PolarHBondContact O-N 3.15Å; C16-W20 WeakPolarHBondContact O-CB 3.39Å; C16-W20 PolarHBondContact O-N 2.69Å
17	K	38.7	Very low	39	Very low	107 Å²	107	114.3 Å²	114.3	47%	0.465	54%	0.54	S	S	.	.	H	α-helix	trans	-55.6	-49.6	176.9	-168.8	174	-176.1	174.9	0	113.4	I13 R15 Q19 D21	I13-K17 PolarHBondContact O-N 3.47Å; I13-K17 VanDerWaalsContact O-N 3.08Å; R15-K17 PolarHBondContact O-N 2.81Å; K17-Q19 VanDerWaalsContact C-N 3.29Å; K17-Q19 PolarHBondContact O-N 2.87Å; K17-D21 WeakPolarHBondContact O-CB 3.49Å; K17-D21 PolarHBondContact O-N 3.23Å; K17-D21 VanDerWaalsContact O-N 3.11Å
18	K	40.7	Very low	38.5	Very low	158 Å²	158	120.6 Å²	120.6	69%	0.687	57%	0.566	S	S	*	*	H	α-helix	trans	-68.1	-27.9	179.6	-79.8	-171.9	177.7	-178.2	0	113.4	R15 C16	R15-K18 PolarHBondContact O-N 3.04Å; C16-K18 PolarHBondContact O-N 3.36Å
19	Q	35	Very low	37.8	Very low	117 Å²	117	121.4 Å²	121.4	55%	0.547	58%	0.577	S	S	.	*	H	α-helix	trans	-86	-38.6	-177.7	-139.2	166.6	-8.1	0	0	111.3	R15 C16 K17 K22 Q23	R15-Q19 PolarHBondContact O-N 3.42Å; C16-Q19 PolarHBondContact O-N 3.15Å; K17-Q19 VanDerWaalsContact C-N 3.29Å; K17-Q19 PolarHBondContact O-N 2.87Å; Q19-K22 PolarHBondContact O-N 3.34Å; Q19-Q23 WeakPolarHBondContact O-CB 3.45Å; Q19-Q23 WeakPolarHBondContact O-CG 3.2Å; Q19-Q23 PolarHBondContact O-N 3.11Å; Q19-Q23 VanDerWaalsContact O-N 3.11Å
20	W	36.2	Very low	36.9	Very low	179 Å²	179	124.3 Å²	124.3	68%	0.678	59%	0.593	S	S	*	*	H	α-helix	trans	-66.6	-47.9	176.8	-160.2	-58.3	0	0	0	111.4	C16 K22 Q23 T24	C16-W20 WeakPolarHBondContact O-CB 3.39Å; C16-W20 PolarHBondContact O-N 2.69Å; W20-K22 PolarHBondContact O-N 3.09Å; W20-K22 VanDerWaalsContact O-N 3.16Å; W20-Q23 PolarHBondContact O-N 2.79Å; W20-Q23 VanDerWaalsContact O-N 3.15Å; W20-T24 VanDerWaalsContact CD1-CG2 3.47Å; W20-T24 HydrophobicContact CG-CG2 4.32Å; W20-T24 PolarHBondContact O-N 3.42Å; W20-T24 VanDerWaalsContact O-N 3.13Å; W20-T24 PolarHBondContact O-OG1 3.28Å
21	D	40.8	Very low	36.5	Very low	103 Å²	103	125.6 Å²	125.6	55%	0.551	61%	0.608	S	S	*	*	H	α-helix	trans	-60.8	-27.6	178.1	-78.8	-19.2	0	0	0	113	K17	K17-D21 WeakPolarHBondContact O-CB 3.49Å; K17-D21 PolarHBondContact O-N 3.23Å; K17-D21 VanDerWaalsContact O-N 3.11Å
22	K	43	Very low	36.4	Very low	175 Å²	175	128.3 Å²	128.3	76%	0.761	64%	0.636	S	S	*	*	H	α-helix	trans	-83.1	-32.8	177.1	-83.5	-174.8	173.8	-174.9	0	113.5	Q19 W20	Q19-K22 PolarHBondContact O-N 3.34Å; W20-K22 PolarHBondContact O-N 3.09Å; W20-K22 VanDerWaalsContact O-N 3.16Å
23	Q	35.6	Very low	36.4	Very low	126 Å²	126	130 Å²	130	59%	0.589	65%	0.647	S	S	*	*	H	α-helix	trans	-93.4	-25.9	-171.4	-74.2	-174.1	-19.5	0	0	114.1	Q19 W20	Q19-Q23 WeakPolarHBondContact O-CB 3.45Å; Q19-Q23 WeakPolarHBondContact O-CG 3.2Å; Q19-Q23 PolarHBondContact O-N 3.11Å; Q19-Q23 VanDerWaalsContact O-N 3.11Å; W20-Q23 PolarHBondContact O-N 2.79Å; W20-Q23 VanDerWaalsContact O-N 3.15Å
24	T	37.3	Very low	36.7	Very low	49 Å²	49	131.6 Å²	131.6	30%	0.301	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-89.7	-10.4	-172.2	55.2	0	0	0	0	115.7	W20 H26 L27	W20-T24 VanDerWaalsContact CD1-CG2 3.47Å; W20-T24 HydrophobicContact CG-CG2 4.32Å; W20-T24 PolarHBondContact O-N 3.42Å; W20-T24 VanDerWaalsContact O-N 3.13Å; W20-T24 PolarHBondContact O-OG1 3.28Å; T24-H26 PolarHBondContact O-N 3.08Å; T24-H26 VanDerWaalsContact O-N 3.14Å; T24-L27 PolarHBondContact O-N 3.41Å
25	R	37.6	Very low	37.4	Very low	222 Å²	222	131 Å²	131	84%	0.838	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-63.4	-18.4	178.2	-80.2	-173.1	177.3	-174.7	-1.1	114.7
26	H	37.6	Very low	39	Very low	175 Å²	175	124.1 Å²	124.1	81%	0.81	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-106.2	-11.4	-176	-69.7	-67	0	0	0	115	T24	T24-H26 PolarHBondContact O-N 3.08Å; T24-H26 VanDerWaalsContact O-N 3.14Å
27	L	28.9	Very low	41.1	Very low	128 Å²	128	122.5 Å²	122.5	67%	0.67	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-7	-167.8	-80.9	161.5	0	0	0	115.4	T24	T24-L27 PolarHBondContact O-N 3.41Å
28	F	29.9	Very low	43.4	Very low	169 Å²	169	119.1 Å²	119.1	74%	0.741	60%	0.595	S	S	*	*			trans	-123.5	96.1	178.6	-66.8	-79.2	0	0	0	111	M30	F28-M30 PolarHBondContact O-N 3.27Å
29	P	27.6	Very low	45.7	Very low	119 Å²	119	111.9 Å²	111.9	77%	0.773	56%	0.564	S	S	*	*			trans	-67.9	127.7	169	20.9	-18.9	0	0	0	109.5	S31	P29-S31 PolarHBondContact O-N 3.18Å; P29-S31 VanDerWaalsContact O-N 3.12Å
30	M	26.3	Very low	48.3	Very low	171 Å²	171	106.3 Å²	106.3	84%	0.842	54%	0.538	S	S	*	.			trans	-63.1	105.9	-169.6	-66.6	-160.1	179.1	0	0	112.7	F28	F28-M30 PolarHBondContact O-N 3.27Å
31	S	28.1	Very low	50.8	Low	96 Å²	96	98.2 Å²	98.2	67%	0.671	51%	0.508	S	S	*	.			trans	-99.4	149.8	159.5	61.6	0	0	0	0	109.8	P29 C33	P29-S31 PolarHBondContact O-N 3.18Å; P29-S31 VanDerWaalsContact O-N 3.12Å; S31-C33 PolarHBondContact O-N 3.3Å
32	S	40.2	Very low	53.1	Low	124 Å²	124	93.6 Å²	93.6	87%	0.867	48%	0.484	S	S	*	.	S	Bend	trans	-70.7	21.6	-160.6	52.3	0	0	0	0	117.8
33	C	39.9	Very low	55.2	Low	117 Å²	117	86 Å²	86	79%	0.791	45%	0.452	S	S	*	.			trans	-122.6	71.6	179.3	-76.5	0	0	0	0	111.3	S31	S31-C33 PolarHBondContact O-N 3.3Å
34	E	46.7	Very low	57.4	Low	85 Å²	85	81.6 Å²	81.6	40%	0.397	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-90.7	120.2	177.4	-89.8	-159.9	158	0	0	111	Y56 R84	E34-Y56 WeakPolarHBondContact CA-OH 3.47Å; E34-Y56 WeakPolarHBondContact CB-OH 3.46Å; E34-Y56 WeakPolarHBondContact CG-OH 3.28Å; E34-R84 IonicContact OE2-CZ 3.69Å; E34-R84 IonicContact OE2-NH1 3.9Å; E34-R84 PolarHBondContact OE2-NH1 3.36Å; E34-R84 IonicContact OE2-NH2 3.08Å
35	P	54.7	Low	59.3	Low	62 Å²	62	86.3 Å²	86.3	40%	0.403	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-60	147.2	-176.5	14.9	-30.1	0	0	0	116.3	P55 Y56	P35-P55 HydrophobicContact CB-CG 3.88Å; P35-P55 HydrophobicContact CG-CG 4.41Å; P35-Y56 HydrophobicContact CB-CE2 4.31Å; P35-Y56 WeakPolarHBondContact CD-OH 3.24Å; P35-Y56 HydrophobicContact CG-CD1 4.14Å; P35-Y56 HydrophobicContact CG-CD2 4.14Å; P35-Y56 HydrophobicContact CG-CE1 3.62Å; P35-Y56 HydrophobicContact CG-CE2 3.61Å; P35-Y56 HydrophobicContact CG-CG 4.4Å; P35-Y56 VanDerWaalsContact N-OH 3.09Å; P35-Y56 VanDerWaalsContact O-CE2 3.24Å; P35-Y56 WeakPolarHBondContact O-CE2 3.37Å
36	Q	73.4	Confident	60.9	Low	55 Å²	55	82.7 Å²	82.7	26%	0.257	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-75.2	147.8	-176.8	-67.9	172.5	-34.4	0	0	113	Y38 P55 V86	Q36-Y38 WeakPolarHBondContact O-CD2 3.38Å; Q36-Y38 WeakPolarHBondContact O-CE2 3.47Å; Q36-P55 WeakPolarHBondContact O-CD 3.37Å; Q36-P55 VanDerWaalsContact O-CG 3.29Å; Q36-P55 WeakPolarHBondContact O-CG 3.39Å; Q36-V86 HydrophobicContact CB-CG2 3.82Å; Q36-V86 VanDerWaalsContact CD-CG2 3.43Å; Q36-V86 HydrophobicContact CG-CG2 4.11Å
37	L	84.1	Confident	62.9	Low	36 Å²	36	77.7 Å²	77.7	19%	0.188	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	138.7	169.5	-68.7	172.9	0	0	0	109.4	L52 N54 R84 L85 V86	L37-L52 HydrophobicContact CB-CD1 4.41Å; L37-N54 HydrophobicContact CD2-CB 3.71Å; L37-R84 PolarHBondContact N-O 2.84Å; L37-L85 HydrophobicContact CB-CD1 3.82Å; L37-V86 PolarHBondContact O-N 3.26Å
38	Y	86.6	Confident	65.6	Low	36 Å²	36	71.9 Å²	71.9	14%	0.141	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.6	179.9	-63.7	-88.3	0	0	0	111.1	Q36 L52 W53 V86 L170 L174	Q36-Y38 WeakPolarHBondContact O-CD2 3.38Å; Q36-Y38 WeakPolarHBondContact O-CE2 3.47Å; Y38-L52 CarbonylContact O-C 3.56Å; Y38-L52 WeakPolarHBondContact O-CA 3.24Å; Y38-W53 PolarHBondContact N-O 3.15Å; Y38-W53 PolarHBondContact O-N 3.49Å; Y38-V86 HydrophobicContact CD1-CB 3.94Å; Y38-V86 HydrophobicContact CD1-CG1 4.13Å; Y38-V86 HydrophobicContact CE1-CB 4.23Å; Y38-V86 HydrophobicContact CE1-CG1 4.32Å; Y38-V86 HydrophobicContact CE1-CG2 4.36Å; Y38-L170 HydrophobicContact CG-CD1 4.22Å; Y38-L174 HydrophobicContact CE2-CD2 4.36Å
39	L	89.1	Confident	68.3	Low	5 Å²	5	63.9 Å²	63.9	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.7	173	178.3	75	0	0	0	109.9	V41 L50 V51 L52 L79 L85 V86 I87 L88	L39-V41 HydrophobicContact CD2-CG2 3.96Å; L39-V41 HydrophobicContact CG-CG2 3.98Å; L39-L50 HydrophobicContact CD1-CB 4.34Å; L39-L50 HydrophobicContact CD1-CD2 4.4Å; L39-V51 CarbonylContact C-O 3.57Å; L39-V51 WeakPolarHBondContact CA-O 3.16Å; L39-L52 HydrophobicContact CB-CD1 4.13Å; L39-L52 HydrophobicContact CD1-CB 4.08Å; L39-L52 HydrophobicContact CD1-CD1 4.29Å; L39-L79 HydrophobicContact CD1-CD2 4.07Å; L39-L79 HydrophobicContact CD2-CD1 3.8Å; L39-L79 HydrophobicContact CD2-CD2 4.01Å; L39-L79 HydrophobicContact CD2-CG 4.33Å; L39-L85 HydrophobicContact CB-CD1 3.88Å; L39-L85 HydrophobicContact CB-CD2 4.31Å; L39-L85 HydrophobicContact CB-CG 4.29Å; L39-L85 HydrophobicContact CD2-CD2 4.17Å; L39-V86 PolarHBondContact N-O 2.87Å; L39-I87 HydrophobicContact CD2-CG1 4.35Å; L39-I87 CarbonylContact O-C 3.56Å; L39-I87 WeakPolarHBondContact O-CA 3.18Å; L39-L88 PolarHBondContact O-N 3.26Å
40	S	91.4	Very high	71.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.4	172.9	-171.9	0	0	0	0	111.7	L50 V51 Y122 A166	S40-L50 WeakPolarHBondContact O-CA 3.47Å; S40-V51 PolarHBondContact N-O 3.06Å; S40-V51 PolarHBondContact O-N 3.46Å; S40-Y122 PolarHBondContact OG-OH 3.1Å; S40-A166 WeakPolarHBondContact CB-O 3.23Å; S40-A166 VanDerWaalsContact OG-C 3.32Å; S40-A166 WeakPolarHBondContact OG-CA 3.3Å; S40-A166 PolarHBondContact OG-O 3.06Å
41	V	88.6	Confident	74.4	Confident	9 Å²	9	50.2 Å²	50.2	6%	0.055	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.8	-172	-174.4	0	0	0	0	110.5	L39 I43 I48 L50 I87 L88 I89 Y122	L39-V41 HydrophobicContact CD2-CG2 3.96Å; L39-V41 HydrophobicContact CG-CG2 3.98Å; V41-I43 HydrophobicContact CG1-CD1 4.3Å; V41-I43 HydrophobicContact CG1-CG1 4.15Å; V41-I48 HydrophobicContact CG1-CD1 4Å; V41-I48 HydrophobicContact CG1-CG1 4.25Å; V41-L50 HydrophobicContact CB-CD2 3.87Å; V41-L50 HydrophobicContact CG1-CD2 3.66Å; V41-L50 HydrophobicContact CG2-CD2 3.57Å; V41-I87 HydrophobicContact CG2-CG2 3.91Å; V41-L88 PolarHBondContact N-O 3.32Å; V41-I89 HydrophobicContact CB-CD1 4.43Å; V41-I89 HydrophobicContact CB-CG1 4.34Å; V41-I89 HydrophobicContact CG1-CD1 4.33Å; V41-Y122 VanDerWaalsContact O-CE1 3.27Å; V41-Y122 WeakPolarHBondContact O-CE1 3.46Å
42	C	88.8	Confident	77.3	Confident	7 Å²	7	46.7 Å²	46.7	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.2	172.7	-169.6	0	0	0	0	110.4	I48 G49 Y122 L162 R165 A166	C42-I48 WeakPolarHBondContact O-CA 3.47Å; C42-G49 PolarHBondContact N-O 3.31Å; C42-G49 PolarHBondContact O-N 2.88Å; C42-Y122 HydrophobicContact CB-CD1 3.77Å; C42-Y122 HydrophobicContact CB-CE1 3.97Å; C42-L162 HydrophobicContact CB-CB 4.32Å; C42-R165 HydrophobicContact CB-CB 4.31Å; C42-A166 HydrophobicContact CB-CB 4.14Å
43	I	85.5	Confident	79.7	Confident	16 Å²	16	41.2 Å²	41.2	8%	0.082	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.6	175.5	-60.2	171.7	0	0	0	109.7	V41 K47 I48 F68 S93 F96 I97	V41-I43 HydrophobicContact CG1-CD1 4.3Å; V41-I43 HydrophobicContact CG1-CG1 4.15Å; I43-K47 VanDerWaalsContact CA-O 3.28Å; I43-K47 WeakPolarHBondContact CA-O 3.47Å; I43-K47 WeakPolarHBondContact CG2-O 3.49Å; I43-I48 HydrophobicContact CD1-CD1 4.23Å; I43-I48 HydrophobicContact CG1-CB 4.19Å; I43-I48 HydrophobicContact CG1-CD1 4.14Å; I43-I48 HydrophobicContact CG1-CG1 3.94Å; I43-F68 HydrophobicContact CD1-CD2 4.19Å; I43-F68 HydrophobicContact CD1-CE2 4.02Å; I43-S93 PolarHBondContact N-OG 3.18Å; I43-S93 PolarHBondContact O-OG 2.89Å; I43-F96 HydrophobicContact CD1-CD1 4.35Å; I43-F96 HydrophobicContact CG2-CD1 3.6Å; I43-F96 HydrophobicContact CG2-CE1 3.73Å; I43-F96 HydrophobicContact CG2-CG 4.35Å; I43-I97 HydrophobicContact CD1-CD1 3.54Å; I43-I97 HydrophobicContact CD1-CG1 3.46Å; I43-I97 VanDerWaalsContact CD1-CG1 3.46Å
44	A	83.5	Confident	81.9	Confident	32 Å²	32	37.5 Å²	37.5	26%	0.264	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	143.7	169.8	0	0	0	0	0	110.6	E46 K47 L162	A44-E46 PolarHBondContact O-N 3.45Å; A44-K47 PolarHBondContact N-O 3.14Å; A44-K47 WeakPolarHBondContact O-CB 3.45Å; A44-K47 PolarHBondContact O-N 3.43Å; A44-L162 HydrophobicContact CB-CD2 3.83Å
45	Q	76.3	Confident	83.6	Confident	149 Å²	149	35 Å²	35	70%	0.696	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	49.7	177.5	-58.5	177.8	-14.5	0	0	112.9	K47	Q45-K47 PolarHBondContact O-N 3.23Å
46	E	71	Confident	84.8	Confident	146 Å²	146	37.3 Å²	37.3	68%	0.682	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	18.4	-178.8	-55.4	175.8	170.4	0	0	114.4	A44 P67 F68	A44-E46 PolarHBondContact O-N 3.45Å; E46-P67 CarbonylContact O-C 3.52Å; E46-P67 WeakPolarHBondContact O-CA 3.37Å; E46-F68 WeakPolarHBondContact O-CB 3.16Å; E46-F68 PolarHBondContact O-N 3.47Å
47	K	80.4	Confident	85.3	Confident	70 Å²	70	37.8 Å²	37.8	30%	0.304	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.1	175.9	-68.4	168.1	-176	159.4	0	110.5	I43 A44 Q45 S66 L162	I43-K47 VanDerWaalsContact CA-O 3.28Å; I43-K47 WeakPolarHBondContact CA-O 3.47Å; I43-K47 WeakPolarHBondContact CG2-O 3.49Å; A44-K47 PolarHBondContact N-O 3.14Å; A44-K47 WeakPolarHBondContact O-CB 3.45Å; A44-K47 PolarHBondContact O-N 3.43Å; Q45-K47 PolarHBondContact O-N 3.23Å; K47-S66 CarbonylContact C-O 3.49Å; K47-S66 WeakPolarHBondContact CA-O 3.5Å; K47-S66 WeakPolarHBondContact CB-O 3.49Å; K47-L162 HydrophobicContact CB-CD1 3.59Å; K47-L162 WeakPolarHBondContact O-CD1 3.4Å
48	I	84.3	Confident	85.4	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.9	178.2	-172.7	165.6	0	0	0	109.9	V41 C42 I43 L50 M63 D65 S66 F68 L75	V41-I48 HydrophobicContact CG1-CD1 4Å; V41-I48 HydrophobicContact CG1-CG1 4.25Å; C42-I48 WeakPolarHBondContact O-CA 3.47Å; I43-I48 HydrophobicContact CD1-CD1 4.23Å; I43-I48 HydrophobicContact CG1-CB 4.19Å; I43-I48 HydrophobicContact CG1-CD1 4.14Å; I43-I48 HydrophobicContact CG1-CG1 3.94Å; I48-L50 HydrophobicContact CD1-CD1 4.49Å; I48-L50 HydrophobicContact CD1-CD2 3.92Å; I48-L50 HydrophobicContact CD1-CG 4.27Å; I48-L50 HydrophobicContact CG1-CD2 3.96Å; I48-L50 HydrophobicContact CG1-CG 4.1Å; I48-M63 HydrophobicContact CG1-CE 4.47Å; I48-M63 HydrophobicContact CG2-CE 3.69Å; I48-D65 WeakPolarHBondContact O-CA 3.39Å; I48-S66 PolarHBondContact N-O 3.36Å; I48-S66 PolarHBondContact O-N 3.48Å; I48-F68 HydrophobicContact CB-CD2 4.14Å; I48-F68 HydrophobicContact CD1-CD2 3.94Å; I48-F68 HydrophobicContact CD1-CE2 4.14Å; I48-F68 HydrophobicContact CG2-CD2 4.31Å; I48-L75 HydrophobicContact CD1-CD1 4.26Å
49	G	87.9	Confident	85.5	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.3	166.3	0	0	0	0	0	109.3	C42	C42-G49 PolarHBondContact N-O 3.31Å; C42-G49 PolarHBondContact O-N 2.88Å
50	L	89.4	Confident	85.6	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.4	-176.8	-59.6	175.9	0	0	0	111	L39 S40 V41 I48 Y62 M63 W74 L75 L79	L39-L50 HydrophobicContact CD1-CB 4.34Å; L39-L50 HydrophobicContact CD1-CD2 4.4Å; S40-L50 WeakPolarHBondContact O-CA 3.47Å; V41-L50 HydrophobicContact CB-CD2 3.87Å; V41-L50 HydrophobicContact CG1-CD2 3.66Å; V41-L50 HydrophobicContact CG2-CD2 3.57Å; I48-L50 HydrophobicContact CD1-CD1 4.49Å; I48-L50 HydrophobicContact CD1-CD2 3.92Å; I48-L50 HydrophobicContact CD1-CG 4.27Å; I48-L50 HydrophobicContact CG1-CD2 3.96Å; I48-L50 HydrophobicContact CG1-CG 4.1Å; L50-Y62 CarbonylContact O-C 3.43Å; L50-Y62 VanDerWaalsContact O-CA 3.31Å; L50-Y62 WeakPolarHBondContact O-CA 3.29Å; L50-M63 HydrophobicContact CB-CB 3.9Å; L50-M63 HydrophobicContact CD1-CB 4.33Å; L50-M63 HydrophobicContact CD1-CE 3.47Å; L50-M63 VanDerWaalsContact CD1-CE 3.47Å; L50-M63 HydrophobicContact CD1-SD 4.12Å; L50-M63 HydrophobicContact CG-CB 4.37Å; L50-M63 HydrophobicContact CG-CE 3.77Å; L50-M63 PolarHBondContact N-O 2.76Å; L50-M63 PolarHBondContact O-N 3.45Å; L50-W74 HydrophobicContact CD1-CH2 4.12Å; L50-L75 HydrophobicContact CD1-CD1 4.39Å; L50-L79 HydrophobicContact CD1-CD1 4.43Å
51	V	91.8	Very high	85.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121	168.5	174.2	0	0	0	0	108.2	L39 S40 L60 Q61 V163 A166 L167 L170	L39-V51 CarbonylContact C-O 3.57Å; L39-V51 WeakPolarHBondContact CA-O 3.16Å; S40-V51 PolarHBondContact N-O 3.06Å; S40-V51 PolarHBondContact O-N 3.46Å; V51-L60 HydrophobicContact CG1-CD1 3.35Å; V51-L60 HydrophobicContact CG1-CD2 4.36Å; V51-L60 HydrophobicContact CG1-CG 3.93Å; V51-Q61 CarbonylContact C-O 3.59Å; V51-Q61 WeakPolarHBondContact CA-O 3.41Å; V51-V163 HydrophobicContact CG2-CG1 3.8Å; V51-V163 WeakPolarHBondContact CG2-O 3.28Å; V51-A166 HydrophobicContact CB-CB 4.22Å; V51-A166 HydrophobicContact CG2-CB 3.88Å; V51-L167 HydrophobicContact CG1-CD1 4.2Å; V51-L167 HydrophobicContact CG2-CB 4.19Å; V51-L170 HydrophobicContact CG1-CD2 4.04Å
52	L	89.6	Confident	85.7	Confident	22 Å²	22	41.4 Å²	41.4	12%	0.115	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.5	174.5	177.6	69.7	0	0	0	108.8	L37 Y38 L39 Q61 L85 L198	L37-L52 HydrophobicContact CB-CD1 4.41Å; Y38-L52 CarbonylContact O-C 3.56Å; Y38-L52 WeakPolarHBondContact O-CA 3.24Å; L39-L52 HydrophobicContact CB-CD1 4.13Å; L39-L52 HydrophobicContact CD1-CB 4.08Å; L39-L52 HydrophobicContact CD1-CD1 4.29Å; L52-Q61 HydrophobicContact CB-CB 4.18Å; L52-Q61 PolarHBondContact N-O 3.46Å; L52-Q61 PolarHBondContact O-N 2.92Å; L52-L85 HydrophobicContact CD1-CD1 3.97Å; L52-L198 HydrophobicContact CB-CD1 4.25Å; L52-L198 HydrophobicContact CD2-CD1 4.02Å
53	W	89.6	Confident	85.5	Confident	9 Å²	9	41.2 Å²	41.2	3%	0.034	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.5	178.7	174.5	-118	0	0	0	110.9	Y38 H58 I59 L60 L170 L190 D191 I192	Y38-W53 PolarHBondContact N-O 3.15Å; Y38-W53 PolarHBondContact O-N 3.49Å; W53-H58 HydrophobicContact CH2-CB 3.8Å; W53-H58 AromaticContact CH2-ND1 4Å; W53-H58 WeakPolarHBondContact CH2-O 3.4Å; W53-H58 HydrophobicContact CZ2-CB 4.36Å; W53-H58 AromaticContact CZ2-ND1 3.8Å; W53-H58 WeakPolarHBondContact CZ3-O 3.36Å; W53-I59 VanDerWaalsContact CZ3-C 3.47Å; W53-L60 HydrophobicContact CB-CD1 4.27Å; W53-L60 HydrophobicContact CD2-CD1 4.49Å; W53-L60 HydrophobicContact CE3-CB 4.02Å; W53-L60 HydrophobicContact CE3-CD1 3.72Å; W53-L60 HydrophobicContact CZ3-CB 4.1Å; W53-L60 HydrophobicContact CZ3-CD1 4.47Å; W53-L170 HydrophobicContact CB-CD1 3.99Å; W53-L170 HydrophobicContact CB-CD2 3.49Å; W53-L170 VanDerWaalsContact CB-CD2 3.49Å; W53-L170 HydrophobicContact CB-CG 4.38Å; W53-L170 HydrophobicContact CG-CD1 4.46Å; W53-L170 HydrophobicContact CG-CD2 4Å; W53-L190 HydrophobicContact CD2-CD1 3.72Å; W53-L190 VanDerWaalsContact CE2-CD1 3.47Å; W53-L190 HydrophobicContact CE3-CD1 4.07Å; W53-L190 HydrophobicContact CG-CD1 4.28Å; W53-L190 HydrophobicContact CH2-CD1 3.99Å; W53-L190 HydrophobicContact CZ2-CD1 3.65Å; W53-L190 HydrophobicContact CZ3-CD1 4.19Å; W53-D191 WeakPolarHBondContact CH2-O 3.26Å; W53-I192 HydrophobicContact CH2-CG1 4.33Å; W53-I192 HydrophobicContact CZ3-CG1 4.08Å
54	N	86.3	Confident	85.4	Confident	39 Å²	39	41.5 Å²	41.5	21%	0.209	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	108.6	172.7	-174.2	-16.5	0	0	0	110	L37 Y56 T57 H58 I59	L37-N54 HydrophobicContact CD2-CB 3.71Å; N54-Y56 PolarHBondContact O-N 2.81Å; N54-Y56 WeakPolarHBondContact OD1-CB 3.17Å; N54-Y56 WeakPolarHBondContact OD1-CD2 3.35Å; N54-Y56 PolarHBondContact OD1-N 3.21Å; N54-T57 WeakPolarHBondContact CB-OG1 3.44Å; N54-T57 PolarHBondContact ND2-OG1 3.22Å; N54-H58 WeakPolarHBondContact O-CA 3.36Å; N54-H58 PolarHBondContact O-N 3.06Å; N54-I59 PolarHBondContact N-O 3.24Å
55	P	82.5	Confident	85.5	Confident	31 Å²	31	40.7 Å²	40.7	20%	0.201	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.1	179.8	28.3	-35.2	0	0	0	113.9	P35 Q36 H58	P35-P55 HydrophobicContact CB-CG 3.88Å; P35-P55 HydrophobicContact CG-CG 4.41Å; Q36-P55 WeakPolarHBondContact O-CD 3.37Å; Q36-P55 VanDerWaalsContact O-CG 3.29Å; Q36-P55 WeakPolarHBondContact O-CG 3.39Å; P55-H58 PolarHBondContact O-NE2 3.47Å
56	Y	81.2	Confident	85.4	Confident	111 Å²	111	34.3 Å²	34.3	44%	0.435	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-50	176.7	-69.6	-83	0	0	0	113.2	E34 P35 N54 H58	E34-Y56 WeakPolarHBondContact CA-OH 3.47Å; E34-Y56 WeakPolarHBondContact CB-OH 3.46Å; E34-Y56 WeakPolarHBondContact CG-OH 3.28Å; P35-Y56 HydrophobicContact CB-CE2 4.31Å; P35-Y56 WeakPolarHBondContact CD-OH 3.24Å; P35-Y56 HydrophobicContact CG-CD1 4.14Å; P35-Y56 HydrophobicContact CG-CD2 4.14Å; P35-Y56 HydrophobicContact CG-CE1 3.62Å; P35-Y56 HydrophobicContact CG-CE2 3.61Å; P35-Y56 HydrophobicContact CG-CG 4.4Å; P35-Y56 VanDerWaalsContact N-OH 3.09Å; P35-Y56 VanDerWaalsContact O-CE2 3.24Å; P35-Y56 WeakPolarHBondContact O-CE2 3.37Å; N54-Y56 PolarHBondContact O-N 2.81Å; N54-Y56 WeakPolarHBondContact OD1-CB 3.17Å; N54-Y56 WeakPolarHBondContact OD1-CD2 3.35Å; N54-Y56 PolarHBondContact OD1-N 3.21Å; Y56-H58 VanDerWaalsContact C-N 3.29Å
57	T	83.5	Confident	85.4	Confident	66 Å²	66	31.9 Å²	31.9	41%	0.405	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-12.3	-175.5	62.3	0	0	0	0	111.2	N54 I59	N54-T57 WeakPolarHBondContact CB-OG1 3.44Å; N54-T57 PolarHBondContact ND2-OG1 3.22Å; T57-I59 WeakPolarHBondContact O-CG1 3.36Å; T57-I59 PolarHBondContact O-N 2.8Å; T57-I59 WeakPolarHBondContact OG1-CB 3.42Å; T57-I59 WeakPolarHBondContact OG1-CG1 3.44Å; T57-I59 PolarHBondContact OG1-N 3.48Å
58	H	86.7	Confident	84.7	Confident	67 Å²	67	30.6 Å²	30.6	31%	0.31	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	30.8	-171.5	-68.7	-90.4	0	0	0	112.9	W53 N54 P55 Y56 D191 V193	W53-H58 HydrophobicContact CH2-CB 3.8Å; W53-H58 AromaticContact CH2-ND1 4Å; W53-H58 WeakPolarHBondContact CH2-O 3.4Å; W53-H58 HydrophobicContact CZ2-CB 4.36Å; W53-H58 AromaticContact CZ2-ND1 3.8Å; W53-H58 WeakPolarHBondContact CZ3-O 3.36Å; N54-H58 WeakPolarHBondContact O-CA 3.36Å; N54-H58 PolarHBondContact O-N 3.06Å; P55-H58 PolarHBondContact O-NE2 3.47Å; Y56-H58 VanDerWaalsContact C-N 3.29Å; H58-D191 VanDerWaalsContact CB-O 3.28Å; H58-D191 WeakPolarHBondContact CB-O 3.47Å; H58-D191 PolarHBondContact ND1-O 3.31Å; H58-V193 HydrophobicContact CB-CB 3.96Å; H58-V193 HydrophobicContact CB-CG2 3.5Å; H58-V193 PolarHBondContact O-N 2.91Å
59	I	88	Confident	83.5	Confident	31 Å²	31	31.6 Å²	31.6	16%	0.159	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.1	-179	-60.6	173.7	0	0	0	108.3	W53 N54 T57 Q61 D194 Q196	W53-I59 VanDerWaalsContact CZ3-C 3.47Å; N54-I59 PolarHBondContact N-O 3.24Å; T57-I59 WeakPolarHBondContact O-CG1 3.36Å; T57-I59 PolarHBondContact O-N 2.8Å; T57-I59 WeakPolarHBondContact OG1-CB 3.42Å; T57-I59 WeakPolarHBondContact OG1-CG1 3.44Å; T57-I59 PolarHBondContact OG1-N 3.48Å; I59-Q61 HydrophobicContact CG2-CG 4.12Å; I59-D194 HydrophobicContact CG1-CB 4.34Å; I59-Q196 HydrophobicContact CG2-CB 4.44Å; I59-Q196 HydrophobicContact CG2-CG 4.19Å
60	L	91.5	Very high	81.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	114.4	172.5	-168.7	78	0	0	0	109	V51 W53 F156 L167 L170 I192 D194 V195 Q196	V51-L60 HydrophobicContact CG1-CD1 3.35Å; V51-L60 HydrophobicContact CG1-CD2 4.36Å; V51-L60 HydrophobicContact CG1-CG 3.93Å; W53-L60 HydrophobicContact CB-CD1 4.27Å; W53-L60 HydrophobicContact CD2-CD1 4.49Å; W53-L60 HydrophobicContact CE3-CB 4.02Å; W53-L60 HydrophobicContact CE3-CD1 3.72Å; W53-L60 HydrophobicContact CZ3-CB 4.1Å; W53-L60 HydrophobicContact CZ3-CD1 4.47Å; L60-F156 HydrophobicContact CD2-CE1 4.26Å; L60-F156 HydrophobicContact CD2-CZ 3.89Å; L60-L167 HydrophobicContact CD1-CD1 4.1Å; L60-L167 HydrophobicContact CD2-CD1 3.91Å; L60-L170 HydrophobicContact CD1-CD2 3.98Å; L60-I192 HydrophobicContact CB-CG2 4.08Å; L60-I192 HydrophobicContact CD2-CD1 4.13Å; L60-D194 PolarHBondContact N-O 3.4Å; L60-V195 HydrophobicContact CB-CG2 4.23Å; L60-V195 HydrophobicContact CD2-CG1 4.43Å; L60-V195 HydrophobicContact CD2-CG2 4.31Å; L60-V195 CarbonylContact O-C 3.54Å; L60-V195 VanDerWaalsContact O-CA 3.28Å; L60-V195 WeakPolarHBondContact O-CA 3.38Å; L60-Q196 PolarHBondContact O-N 3.35Å
61	Q	90.3	Very high	79.8	Confident	62 Å²	62	39.6 Å²	39.6	29%	0.29	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	143.3	172.2	-66.9	-176.8	-27.3	0	0	109.9	V51 L52 I59 Q196 L198	V51-Q61 CarbonylContact C-O 3.59Å; V51-Q61 WeakPolarHBondContact CA-O 3.41Å; L52-Q61 HydrophobicContact CB-CB 4.18Å; L52-Q61 PolarHBondContact N-O 3.46Å; L52-Q61 PolarHBondContact O-N 2.92Å; I59-Q61 HydrophobicContact CG2-CG 4.12Å; Q61-Q196 CarbonylContact C-O 3.48Å; Q61-Q196 VanDerWaalsContact CA-O 3.24Å; Q61-Q196 WeakPolarHBondContact CA-O 3.31Å; Q61-Q196 HydrophobicContact CG-CB 4.26Å; Q61-L198 HydrophobicContact CB-CB 4.34Å; Q61-L198 HydrophobicContact CB-CD1 4.12Å
62	Y	91	Very high	77.9	Confident	1 Å²	1	40.9 Å²	40.9	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	148.1	-180	71.7	-86	0	0	0	112.5	L50 P64 F156 P157 V163 V195 Q196 L197 L198	L50-Y62 CarbonylContact O-C 3.43Å; L50-Y62 VanDerWaalsContact O-CA 3.31Å; L50-Y62 WeakPolarHBondContact O-CA 3.29Å; Y62-P64 HydrophobicContact CD2-CG 4.19Å; Y62-P64 HydrophobicContact CE2-CG 3.85Å; Y62-F156 AromaticContact CD1-CD1 3.72Å; Y62-F156 HydrophobicContact CD1-CD1 3.72Å; Y62-F156 AromaticContact CD1-CE1 3.71Å; Y62-F156 HydrophobicContact CD1-CE1 3.71Å; Y62-F156 AromaticContact CD2-CD1 3.74Å; Y62-F156 HydrophobicContact CD2-CD1 3.74Å; Y62-F156 HydrophobicContact CD2-CE1 4.35Å; Y62-F156 AromaticContact CE1-CD1 3.99Å; Y62-F156 HydrophobicContact CE1-CD1 3.99Å; Y62-F156 HydrophobicContact CE1-CE1 4.31Å; Y62-F156 HydrophobicContact CE2-CD1 4Å; Y62-F156 AromaticContact CG-CD1 3.58Å; Y62-F156 HydrophobicContact CG-CD1 3.58Å; Y62-F156 AromaticContact CG-CE1 3.73Å; Y62-F156 HydrophobicContact CG-CE1 3.73Å; Y62-P157 VanDerWaalsContact CE2-CD 3.47Å; Y62-P157 HydrophobicContact CE2-CG 4.15Å; Y62-V163 HydrophobicContact CD2-CG1 4.22Å; Y62-V163 HydrophobicContact CD2-CG2 4.47Å; Y62-V163 HydrophobicContact CG-CG1 4.32Å; Y62-V195 HydrophobicContact CD1-CG1 3.71Å; Y62-V195 HydrophobicContact CE1-CG1 3.76Å; Y62-Q196 WeakPolarHBondContact CD1-O 3.37Å; Y62-Q196 WeakPolarHBondContact CE1-O 3.46Å; Y62-Q196 PolarHBondContact N-O 3.46Å; Y62-L197 HydrophobicContact CD2-CD1 4.38Å; Y62-L197 HydrophobicContact CE2-CD1 3.85Å; Y62-L198 WeakPolarHBondContact O-CB 3.42Å; Y62-L198 PolarHBondContact O-N 3.44Å
63	M	85.8	Confident	75.9	Confident	4 Å²	4	46 Å²	46	2%	0.02	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.2	169.1	-169.4	179.5	71.3	0	0	109.4	I48 L50 S66 W74 V163 L198	I48-M63 HydrophobicContact CG1-CE 4.47Å; I48-M63 HydrophobicContact CG2-CE 3.69Å; L50-M63 HydrophobicContact CB-CB 3.9Å; L50-M63 HydrophobicContact CD1-CB 4.33Å; L50-M63 HydrophobicContact CD1-CE 3.47Å; L50-M63 VanDerWaalsContact CD1-CE 3.47Å; L50-M63 HydrophobicContact CD1-SD 4.12Å; L50-M63 HydrophobicContact CG-CB 4.37Å; L50-M63 HydrophobicContact CG-CE 3.77Å; L50-M63 PolarHBondContact N-O 2.76Å; L50-M63 PolarHBondContact O-N 3.45Å; M63-S66 WeakPolarHBondContact CE-OG 3.43Å; M63-W74 HydrophobicContact CE-CZ2 4.35Å; M63-W74 HydrophobicContact SD-CH2 3.75Å; M63-W74 HydrophobicContact SD-CZ2 3.45Å; M63-W74 WeakPolarHBondContact SD-CZ2 3.42Å; M63-V163 WeakPolarHBondContact O-CG2 3.32Å; M63-L198 HydrophobicContact CB-CD2 4.46Å
64	P	83.7	Confident	74	Confident	21 Å²	21	47.1 Å²	47.1	14%	0.136	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	153.8	176.7	-28.6	36.4	0	0	0	113	Y62 S66 P157 L197 F205	Y62-P64 HydrophobicContact CD2-CG 4.19Å; Y62-P64 HydrophobicContact CE2-CG 3.85Å; P64-S66 PolarHBondContact O-N 3.27Å; P64-S66 PolarHBondContact O-OG 3.29Å; P64-P157 HydrophobicContact CB-CG 4.28Å; P64-P157 HydrophobicContact CG-CG 3.93Å; P64-L197 HydrophobicContact CG-CD1 3.56Å; P64-F205 HydrophobicContact CB-CE2 4.48Å; P64-F205 HydrophobicContact CG-CE2 3.76Å; P64-F205 HydrophobicContact CG-CZ 4.14Å
65	D	84.7	Confident	72.4	Confident	16 Å²	16	46.7 Å²	46.7	9%	0.086	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	104.2	175.8	-66	21.5	0	0	0	111	I48 S160 K161 L162 V163 K208	I48-D65 WeakPolarHBondContact O-CA 3.39Å; D65-S160 VanDerWaalsContact CG-CA 3.48Å; D65-S160 WeakPolarHBondContact OD1-CA 3.47Å; D65-K161 PolarHBondContact OD2-N 3.24Å; D65-L162 WeakPolarHBondContact OD1-CA 3.23Å; D65-L162 WeakPolarHBondContact OD1-CB 3.34Å; D65-L162 PolarHBondContact OD1-N 3.12Å; D65-L162 VanDerWaalsContact OD1-N 3.08Å; D65-L162 WeakPolarHBondContact OD2-CG 3.24Å; D65-L162 PolarHBondContact OD2-N 2.86Å; D65-V163 PolarHBondContact OD1-N 2.63Å; D65-K208 PolarHBondContact O-NZ 2.77Å
66	S	75.1	Confident	71	Confident	15 Å²	15	50.9 Å²	50.9	11%	0.105	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	154.5	-176.8	47.8	0	0	0	0	110.5	K47 I48 M63 P64	K47-S66 CarbonylContact C-O 3.49Å; K47-S66 WeakPolarHBondContact CA-O 3.5Å; K47-S66 WeakPolarHBondContact CB-O 3.49Å; I48-S66 PolarHBondContact N-O 3.36Å; I48-S66 PolarHBondContact O-N 3.48Å; M63-S66 WeakPolarHBondContact CE-OG 3.43Å; P64-S66 PolarHBondContact O-N 3.27Å; P64-S66 PolarHBondContact O-OG 3.29Å
67	P	70	Confident	69.4	Low	94 Å²	94	52 Å²	52	61%	0.61	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	138.8	173	25.2	-32.7	0	0	0	110.5	E46	E46-P67 CarbonylContact O-C 3.52Å; E46-P67 WeakPolarHBondContact O-CA 3.37Å
68	F	66	Low	67.7	Low	43 Å²	43	51.1 Å²	51.1	19%	0.189	26%	0.258	C	S	.	.			trans	-75.1	126.5	179.1	-178	-99.9	0	0	0	110.3	I43 E46 I48 L70 F96 I97 I100	I43-F68 HydrophobicContact CD1-CD2 4.19Å; I43-F68 HydrophobicContact CD1-CE2 4.02Å; E46-F68 WeakPolarHBondContact O-CB 3.16Å; E46-F68 PolarHBondContact O-N 3.47Å; I48-F68 HydrophobicContact CB-CD2 4.14Å; I48-F68 HydrophobicContact CD1-CD2 3.94Å; I48-F68 HydrophobicContact CD1-CE2 4.14Å; I48-F68 HydrophobicContact CG2-CD2 4.31Å; F68-L70 HydrophobicContact CE1-CG 4.17Å; F68-F96 AromaticContact CD1-CE1 3.71Å; F68-F96 HydrophobicContact CD1-CE1 3.71Å; F68-F96 HydrophobicContact CD1-CZ 4.4Å; F68-F96 HydrophobicContact CE1-CE1 4.03Å; F68-F96 HydrophobicContact CG-CE1 4.11Å; F68-I97 HydrophobicContact CE2-CG1 4.35Å; F68-I97 HydrophobicContact CZ-CG1 4.14Å; F68-I100 HydrophobicContact CD1-CD1 4.16Å; F68-I100 HydrophobicContact CE1-CD1 3.83Å
69	S	58.9	Low	66.1	Low	28 Å²	28	48.4 Å²	48.4	20%	0.196	25%	0.245	C	C	.	.			trans	-133.2	126	176	166.7	0	0	0	0	109.1	E71 D72	S69-E71 PolarHBondContact O-N 3.01Å; S69-E71 PolarHBondContact OG-N 3.48Å; S69-D72 WeakPolarHBondContact CB-OD1 3.14Å; S69-D72 WeakPolarHBondContact O-CB 3.47Å; S69-D72 PolarHBondContact O-N 2.86Å; S69-D72 PolarHBondContact OG-OD1 2.89Å
70	L	51.5	Low	64.4	Low	66 Å²	66	48.8 Å²	48.8	35%	0.346	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.1	176.7	-61.9	121.4	0	0	0	113.4	F68 D72 I100 V101	F68-L70 HydrophobicContact CE1-CG 4.17Å; L70-D72 PolarHBondContact O-N 3.3Å; L70-I100 HydrophobicContact CD1-CB 4.44Å; L70-I100 HydrophobicContact CD1-CG2 3.01Å; L70-I100 HydrophobicContact CD2-CB 4.15Å; L70-I100 HydrophobicContact CD2-CG2 3.39Å; L70-I100 HydrophobicContact CG-CG2 3.47Å; L70-I100 VanDerWaalsContact CG-CG2 3.47Å; L70-V101 HydrophobicContact CD2-CB 4.38Å; L70-V101 HydrophobicContact CD2-CG2 3.37Å
71	E	47	Very low	62.4	Low	105 Å²	105	52.6 Å²	52.6	49%	0.491	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	0.6	-177.5	-67.4	-175.5	165.9	0	0	112.4	S69 K73 K258	S69-E71 PolarHBondContact O-N 3.01Å; S69-E71 PolarHBondContact OG-N 3.48Å; E71-K73 PolarHBondContact O-N 2.95Å; E71-K258 IonicContact OE2-NZ 2.77Å; E71-K258 PolarHBondContact OE2-NZ 3.18Å
72	D	53.3	Low	61	Low	27 Å²	27	53.1 Å²	53.1	14%	0.144	28%	0.277	C	S	.	.			trans	-64.5	77.6	167.2	-81.5	27	0	0	0	108	S69 L70 W74 L75 K76 R200	S69-D72 WeakPolarHBondContact CB-OD1 3.14Å; S69-D72 WeakPolarHBondContact O-CB 3.47Å; S69-D72 PolarHBondContact O-N 2.86Å; S69-D72 PolarHBondContact OG-OD1 2.89Å; L70-D72 PolarHBondContact O-N 3.3Å; D72-W74 PolarHBondContact O-N 2.84Å; D72-W74 PolarHBondContact OD2-NE1 2.85Å; D72-L75 HydrophobicContact CB-CB 4.04Å; D72-L75 WeakPolarHBondContact O-CB 3.32Å; D72-L75 PolarHBondContact O-N 3.08Å; D72-K76 PolarHBondContact O-N 3.45Å; D72-R200 IonicContact OD2-NH1 3.69Å
73	K	47.8	Very low	59.3	Low	131 Å²	131	58.4 Å²	58.4	57%	0.57	31%	0.306	S	S	*	.	H	α-helix	trans	-49.6	-32.6	175.2	-74.7	177.9	-178	169.5	0	109.8	E71 K76 Q77 E348	E71-K73 PolarHBondContact O-N 2.95Å; K73-K76 CarbonylContact O-C 3.57Å; K73-K76 WeakPolarHBondContact O-CB 3.33Å; K73-K76 PolarHBondContact O-N 3.41Å; K73-Q77 VanDerWaalsContact O-CB 3.28Å; K73-Q77 WeakPolarHBondContact O-CB 3.47Å; K73-Q77 VanDerWaalsContact O-CG 3.29Å; K73-Q77 WeakPolarHBondContact O-CG 3.45Å; K73-Q77 PolarHBondContact O-N 3.34Å; K73-E348 IonicContact NZ-OE2 3.33Å
74	W	49.7	Very low	58.6	Low	32 Å²	32	64.5 Å²	64.5	12%	0.121	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-39.2	175.1	84.1	-91.2	0	0	0	112.8	L50 M63 D72 K76 Q77 S78 L79 L198 R200	L50-W74 HydrophobicContact CD1-CH2 4.12Å; M63-W74 HydrophobicContact CE-CZ2 4.35Å; M63-W74 HydrophobicContact SD-CH2 3.75Å; M63-W74 HydrophobicContact SD-CZ2 3.45Å; M63-W74 WeakPolarHBondContact SD-CZ2 3.42Å; D72-W74 PolarHBondContact O-N 2.84Å; D72-W74 PolarHBondContact OD2-NE1 2.85Å; W74-K76 PolarHBondContact O-N 3.3Å; W74-Q77 PolarHBondContact O-N 3.29Å; W74-S78 WeakPolarHBondContact O-CA 3.44Å; W74-S78 VanDerWaalsContact O-CB 3.23Å; W74-S78 WeakPolarHBondContact O-CB 3.34Å; W74-S78 PolarHBondContact O-N 3.17Å; W74-S78 PolarHBondContact O-OG 3.1Å; W74-L79 HydrophobicContact CH2-CD1 4.38Å; W74-L79 HydrophobicContact CZ3-CD1 4.13Å; W74-L79 HydrophobicContact CZ3-CG 4.27Å; W74-L198 HydrophobicContact CH2-CD2 3.57Å; W74-L198 HydrophobicContact CZ3-CD2 3.56Å; W74-R200 HydrophobicContact CD2-CG 4.2Å; W74-R200 HydrophobicContact CZ2-CG 3.91Å; W74-R200 VanDerWaalsContact NE1-CD 3.35Å
75	L	53	Low	58.4	Low	30 Å²	30	63.7 Å²	63.7	16%	0.157	32%	0.323	C	S	.	.	I	π-helix	trans	-63.5	-39.1	178.6	-145.1	147.8	0	0	0	108.3	I48 L50 D72 L79 F80	I48-L75 HydrophobicContact CD1-CD1 4.26Å; L50-L75 HydrophobicContact CD1-CD1 4.39Å; D72-L75 HydrophobicContact CB-CB 4.04Å; D72-L75 WeakPolarHBondContact O-CB 3.32Å; D72-L75 PolarHBondContact O-N 3.08Å; L75-L79 HydrophobicContact CD2-CD1 3.84Å; L75-L79 HydrophobicContact CG-CD1 3.77Å; L75-L79 WeakPolarHBondContact O-CB 3.25Å; L75-F80 HydrophobicContact CD2-CE2 4.18Å; L75-F80 WeakPolarHBondContact O-CD2 3.28Å; L75-F80 WeakPolarHBondContact O-CE2 3.49Å
76	K	52.9	Low	58.2	Low	119 Å²	119	63 Å²	63	52%	0.517	32%	0.319	S	S	.	.	I	π-helix	trans	-69.6	-39.9	172.2	-69	-170.9	-177.2	178.9	0	114.7	D72 K73 W74 F80	D72-K76 PolarHBondContact O-N 3.45Å; K73-K76 CarbonylContact O-C 3.57Å; K73-K76 WeakPolarHBondContact O-CB 3.33Å; K73-K76 PolarHBondContact O-N 3.41Å; W74-K76 PolarHBondContact O-N 3.3Å; K76-F80 VanDerWaalsContact CA-CD2 3.43Å; K76-F80 WeakPolarHBondContact O-CB 3.29Å; K76-F80 VanDerWaalsContact O-CD2 3.32Å; K76-F80 WeakPolarHBondContact O-CD2 3.44Å
77	Q	46.7	Very low	58.5	Low	134 Å²	134	62.8 Å²	62.8	63%	0.626	32%	0.317	S	S	*	.	I	π-helix	trans	-90.5	-43.3	-172.2	-74.3	175.4	-14.8	0	0	113.3	K73 W74 S81	K73-Q77 VanDerWaalsContact O-CB 3.28Å; K73-Q77 WeakPolarHBondContact O-CB 3.47Å; K73-Q77 VanDerWaalsContact O-CG 3.29Å; K73-Q77 WeakPolarHBondContact O-CG 3.45Å; K73-Q77 PolarHBondContact O-N 3.34Å; W74-Q77 PolarHBondContact O-N 3.29Å; Q77-S81 VanDerWaalsContact O-CB 3.24Å; Q77-S81 WeakPolarHBondContact O-CB 3.25Å; Q77-S81 PolarHBondContact O-OG 3.4Å
78	S	49	Very low	59.3	Low	48 Å²	48	58.3 Å²	58.3	34%	0.336	29%	0.288	S	S	.	.	I	π-helix	trans	-84.7	-32.3	-172.4	-51.6	0	0	0	0	113.5	W74	W74-S78 WeakPolarHBondContact O-CA 3.44Å; W74-S78 VanDerWaalsContact O-CB 3.23Å; W74-S78 WeakPolarHBondContact O-CB 3.34Å; W74-S78 PolarHBondContact O-N 3.17Å; W74-S78 PolarHBondContact O-OG 3.1Å
79	L	52.2	Low	60.2	Low	10 Å²	10	56.4 Å²	56.4	5%	0.052	28%	0.28	C	S	.	.	I	π-helix	trans	-87.6	-43	178.1	-63.4	167	0	0	0	111.2	L39 L50 W74 L75 S81 L85	L39-L79 HydrophobicContact CD1-CD2 4.07Å; L39-L79 HydrophobicContact CD2-CD1 3.8Å; L39-L79 HydrophobicContact CD2-CD2 4.01Å; L39-L79 HydrophobicContact CD2-CG 4.33Å; L50-L79 HydrophobicContact CD1-CD1 4.43Å; W74-L79 HydrophobicContact CH2-CD1 4.38Å; W74-L79 HydrophobicContact CZ3-CD1 4.13Å; W74-L79 HydrophobicContact CZ3-CG 4.27Å; L75-L79 HydrophobicContact CD2-CD1 3.84Å; L75-L79 HydrophobicContact CG-CD1 3.77Å; L75-L79 WeakPolarHBondContact O-CB 3.25Å; L79-S81 PolarHBondContact O-N 3Å; L79-L85 HydrophobicContact CB-CD2 4.1Å; L79-L85 VanDerWaalsContact O-CD2 3.24Å; L79-L85 WeakPolarHBondContact O-CD2 3.45Å
80	F	52.7	Low	61.6	Low	39 Å²	39	55.3 Å²	55.3	17%	0.171	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	4.1	-173.4	-51.4	-91	0	0	0	115.2	L75 K76 N82 I87 I108 S109 I112	L75-F80 HydrophobicContact CD2-CE2 4.18Å; L75-F80 WeakPolarHBondContact O-CD2 3.28Å; L75-F80 WeakPolarHBondContact O-CE2 3.49Å; K76-F80 VanDerWaalsContact CA-CD2 3.43Å; K76-F80 WeakPolarHBondContact O-CB 3.29Å; K76-F80 VanDerWaalsContact O-CD2 3.32Å; K76-F80 WeakPolarHBondContact O-CD2 3.44Å; F80-N82 VanDerWaalsContact C-N 3.27Å; F80-I87 HydrophobicContact CD1-CD1 4.23Å; F80-I87 HydrophobicContact CE1-CD1 3.67Å; F80-I87 HydrophobicContact CZ-CD1 4.46Å; F80-I108 HydrophobicContact CD1-CG2 3.79Å; F80-I108 HydrophobicContact CE1-CG1 4.33Å; F80-I108 HydrophobicContact CE1-CG2 4.09Å; F80-S109 PolarHBondContact O-OG 3.13Å; F80-I112 HydrophobicContact CB-CD1 3.69Å; F80-I112 HydrophobicContact CD1-CD1 3.58Å; F80-I112 HydrophobicContact CG-CD1 4.08Å
81	S	49.7	Very low	63.1	Low	79 Å²	79	57 Å²	57	55%	0.552	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.7	169.4	62.1	0	0	0	0	113.4	Q77 L79	Q77-S81 VanDerWaalsContact O-CB 3.24Å; Q77-S81 WeakPolarHBondContact O-CB 3.25Å; Q77-S81 PolarHBondContact O-OG 3.4Å; L79-S81 PolarHBondContact O-N 3Å
82	N	59.5	Low	64.8	Low	74 Å²	74	54.9 Å²	54.9	40%	0.396	27%	0.273	S	S	.	.			trans	-98.2	105.8	-178.2	-78.5	-32.2	0	0	0	110.6	F80 R84 L85	F80-N82 VanDerWaalsContact C-N 3.27Å; N82-R84 PolarHBondContact O-N 3.43Å; N82-L85 HydrophobicContact CB-CB 4.36Å; N82-L85 WeakPolarHBondContact O-CB 3.41Å; N82-L85 PolarHBondContact O-N 3.05Å; N82-L85 VanDerWaalsContact O-N 3.15Å
83	D	57	Low	66.3	Low	112 Å²	112	53.7 Å²	53.7	60%	0.599	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-5.1	177.7	-62.1	-22.2	0	0	0	114.2	G111	D83-G111 VanDerWaalsContact O-O 3.09Å
84	R	70.1	Confident	67.9	Low	132 Å²	132	49.4 Å²	49.4	50%	0.498	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	17.3	179.9	-60.5	-170.3	-174.3	156.8	1	114.3	E34 L37 N82	E34-R84 IonicContact OE2-CZ 3.69Å; E34-R84 IonicContact OE2-NH1 3.9Å; E34-R84 PolarHBondContact OE2-NH1 3.36Å; E34-R84 IonicContact OE2-NH2 3.08Å; L37-R84 PolarHBondContact N-O 2.84Å; N82-R84 PolarHBondContact O-N 3.43Å
85	L	78.8	Confident	69.2	Low	4 Å²	4	53.7 Å²	53.7	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	128.3	174.1	-171	68.8	0	0	0	110.4	L37 L39 L52 L79 N82 I87 I112 Q113	L37-L85 HydrophobicContact CB-CD1 3.82Å; L39-L85 HydrophobicContact CB-CD1 3.88Å; L39-L85 HydrophobicContact CB-CD2 4.31Å; L39-L85 HydrophobicContact CB-CG 4.29Å; L39-L85 HydrophobicContact CD2-CD2 4.17Å; L52-L85 HydrophobicContact CD1-CD1 3.97Å; L79-L85 HydrophobicContact CB-CD2 4.1Å; L79-L85 VanDerWaalsContact O-CD2 3.24Å; L79-L85 WeakPolarHBondContact O-CD2 3.45Å; N82-L85 HydrophobicContact CB-CB 4.36Å; N82-L85 WeakPolarHBondContact O-CB 3.41Å; N82-L85 PolarHBondContact O-N 3.05Å; N82-L85 VanDerWaalsContact O-N 3.15Å; L85-I87 HydrophobicContact CD2-CD1 4.25Å; L85-I87 HydrophobicContact CD2-CG1 3.9Å; L85-I87 HydrophobicContact CG-CG1 4.15Å; L85-I112 WeakPolarHBondContact O-CG2 3.29Å; L85-Q113 PolarHBondContact O-N 2.92Å
86	V	80.8	Confident	70.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	116.5	166.5	-179.6	0	0	0	0	108.4	Q36 L37 Y38 L39 L88 Q113 E115	Q36-V86 HydrophobicContact CB-CG2 3.82Å; Q36-V86 VanDerWaalsContact CD-CG2 3.43Å; Q36-V86 HydrophobicContact CG-CG2 4.11Å; L37-V86 PolarHBondContact O-N 3.26Å; Y38-V86 HydrophobicContact CD1-CB 3.94Å; Y38-V86 HydrophobicContact CD1-CG1 4.13Å; Y38-V86 HydrophobicContact CE1-CB 4.23Å; Y38-V86 HydrophobicContact CE1-CG1 4.32Å; Y38-V86 HydrophobicContact CE1-CG2 4.36Å; L39-V86 PolarHBondContact N-O 2.87Å; V86-L88 HydrophobicContact CG1-CD2 3.83Å; V86-Q113 CarbonylContact C-O 3.55Å; V86-Q113 VanDerWaalsContact CA-O 3.31Å; V86-Q113 WeakPolarHBondContact CA-O 3.32Å; V86-Q113 HydrophobicContact CG2-CB 4.28Å; V86-E115 HydrophobicContact CG1-CG 4.19Å
87	I	82.2	Confident	71	Confident	11 Å²	11	50.4 Å²	50.4	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.9	177.2	-57.3	178.7	0	0	0	108.8	L39 V41 F80 L85 I89 I112 Q113 T114 E115	L39-I87 HydrophobicContact CD2-CG1 4.35Å; L39-I87 CarbonylContact O-C 3.56Å; L39-I87 WeakPolarHBondContact O-CA 3.18Å; V41-I87 HydrophobicContact CG2-CG2 3.91Å; F80-I87 HydrophobicContact CD1-CD1 4.23Å; F80-I87 HydrophobicContact CE1-CD1 3.67Å; F80-I87 HydrophobicContact CZ-CD1 4.46Å; L85-I87 HydrophobicContact CD2-CD1 4.25Å; L85-I87 HydrophobicContact CD2-CG1 3.9Å; L85-I87 HydrophobicContact CG-CG1 4.15Å; I87-I89 HydrophobicContact CG2-CB 4.48Å; I87-I112 HydrophobicContact CD1-CG2 3.73Å; I87-I112 HydrophobicContact CG1-CG2 3.92Å; I87-Q113 PolarHBondContact N-O 2.96Å; I87-T114 HydrophobicContact CB-CG2 4.24Å; I87-T114 CarbonylContact O-C 3.5Å; I87-T114 WeakPolarHBondContact O-CA 3.26Å; I87-E115 PolarHBondContact O-N 2.86Å
88	L	85.9	Confident	72	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.1	171.7	-46.5	177.2	0	0	0	108.1	L39 V41 V86 E115 I117 Y122 L170 R173	L39-L88 PolarHBondContact O-N 3.26Å; V41-L88 PolarHBondContact N-O 3.32Å; V86-L88 HydrophobicContact CG1-CD2 3.83Å; L88-E115 HydrophobicContact CD2-CB 3.96Å; L88-I117 HydrophobicContact CB-CD1 3.72Å; L88-I117 HydrophobicContact CB-CG1 4.44Å; L88-I117 HydrophobicContact CD1-CD1 4Å; L88-I117 HydrophobicContact CD2-CD1 4.11Å; L88-I117 HydrophobicContact CG-CD1 4.15Å; L88-Y122 VanDerWaalsContact C-OH 3.26Å; L88-Y122 PolarHBondContact O-OH 2.58Å; L88-L170 HydrophobicContact CD1-CB 4.42Å; L88-L170 HydrophobicContact CD1-CD1 3.96Å; L88-R173 HydrophobicContact CD1-CB 3.71Å; L88-R173 HydrophobicContact CD1-CG 3.95Å; L88-R173 HydrophobicContact CD2-CB 4.28Å; L88-R173 HydrophobicContact CD2-CG 3.81Å
89	I	86	Confident	72.7	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.7	-177.7	-166.6	164.8	0	0	0	110.8	V41 I87 L94 I97 E115 I116 I117	V41-I89 HydrophobicContact CB-CD1 4.43Å; V41-I89 HydrophobicContact CB-CG1 4.34Å; V41-I89 HydrophobicContact CG1-CD1 4.33Å; I87-I89 HydrophobicContact CG2-CB 4.48Å; I89-L94 HydrophobicContact CD1-CB 4.2Å; I89-L94 HydrophobicContact CD1-CD1 4.37Å; I89-L94 HydrophobicContact CG1-CB 4.43Å; I89-L94 HydrophobicContact CG2-CB 4.21Å; I89-L94 HydrophobicContact CG2-CD1 4.31Å; I89-I97 HydrophobicContact CD1-CD1 3.5Å; I89-I97 VanDerWaalsContact CD1-CD1 3.5Å; I89-E115 PolarHBondContact N-O 2.81Å; I89-E115 VanDerWaalsContact N-O 3.11Å; I89-I116 WeakPolarHBondContact O-CA 3.49Å; I89-I117 PolarHBondContact O-N 3.45Å
90	T	87	Confident	73	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.031	27%	0.265	C	S	.	.			trans	-83.2	150.4	171.2	66	0	0	0	0	110.9	S93 L94 Y122	T90-S93 PolarHBondContact O-N 2.72Å; T90-S93 VanDerWaalsContact O-N 3.13Å; T90-S93 VanDerWaalsContact OG1-CB 3.3Å; T90-S93 WeakPolarHBondContact OG1-CB 3.35Å; T90-S93 PolarHBondContact OG1-N 2.91Å; T90-S93 PolarHBondContact OG1-OG 3.19Å; T90-L94 PolarHBondContact O-N 3.36Å; T90-Y122 HydrophobicContact CG2-CD1 3.86Å; T90-Y122 HydrophobicContact CG2-CD2 3.4Å; T90-Y122 HydrophobicContact CG2-CE1 4.17Å; T90-Y122 HydrophobicContact CG2-CE2 3.77Å; T90-Y122 HydrophobicContact CG2-CG 3.43Å; T90-Y122 VanDerWaalsContact CG2-CG 3.43Å
91	E	83.7	Confident	73.2	Confident	100 Å²	100	49.9 Å²	49.9	47%	0.467	27%	0.265	S	S	.	.	H	α-helix	trans	-54.7	-43.2	177.5	-166.5	-168.5	157.1	0	0	113.3	S93 L94 K95 I116	E91-S93 PolarHBondContact O-N 3.13Å; E91-L94 PolarHBondContact O-N 3.31Å; E91-K95 WeakPolarHBondContact O-CG 3.36Å; E91-K95 PolarHBondContact O-N 2.7Å; E91-K95 WeakPolarHBondContact OE1-CE 3.43Å; E91-K95 IonicContact OE1-NZ 3.23Å; E91-K95 PolarHBondContact OE1-NZ 3.48Å; E91-I116 HydrophobicContact CB-CG2 4Å
92	P	84	Confident	73.1	Confident	62 Å²	62	47.7 Å²	47.7	40%	0.403	26%	0.255	S	S	.	.	H	α-helix	trans	-66	-37.6	176.4	-21.1	34.3	0	0	0	113.3	L94 K95 F96	P92-L94 VanDerWaalsContact C-N 3.34Å; P92-K95 PolarHBondContact O-N 3.36Å; P92-F96 WeakPolarHBondContact O-CB 3.38Å; P92-F96 PolarHBondContact O-N 3.02Å
93	S	83.4	Confident	72.4	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.014	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-40.6	175.7	-65.7	0	0	0	0	110.8	I43 T90 E91 F96 I97	I43-S93 PolarHBondContact N-OG 3.18Å; I43-S93 PolarHBondContact O-OG 2.89Å; T90-S93 PolarHBondContact O-N 2.72Å; T90-S93 VanDerWaalsContact O-N 3.13Å; T90-S93 VanDerWaalsContact OG1-CB 3.3Å; T90-S93 WeakPolarHBondContact OG1-CB 3.35Å; T90-S93 PolarHBondContact OG1-N 2.91Å; T90-S93 PolarHBondContact OG1-OG 3.19Å; E91-S93 PolarHBondContact O-N 3.13Å; S93-F96 PolarHBondContact O-N 3.24Å; S93-I97 WeakPolarHBondContact O-CG1 3.44Å; S93-I97 PolarHBondContact O-N 3.43Å
94	L	80.9	Confident	71.7	Confident	40 Å²	40	50.5 Å²	50.5	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-44.5	176	-174	65.7	0	0	0	111.6	I89 T90 E91 P92 F96 I97 S98 F106 I116	I89-L94 HydrophobicContact CD1-CB 4.2Å; I89-L94 HydrophobicContact CD1-CD1 4.37Å; I89-L94 HydrophobicContact CG1-CB 4.43Å; I89-L94 HydrophobicContact CG2-CB 4.21Å; I89-L94 HydrophobicContact CG2-CD1 4.31Å; T90-L94 PolarHBondContact O-N 3.36Å; E91-L94 PolarHBondContact O-N 3.31Å; P92-L94 VanDerWaalsContact C-N 3.34Å; L94-F96 VanDerWaalsContact C-N 3.31Å; L94-F96 PolarHBondContact O-N 3.28Å; L94-I97 PolarHBondContact O-N 2.79Å; L94-S98 PolarHBondContact O-N 3.4Å; L94-S98 PolarHBondContact O-OG 3.17Å; L94-F106 HydrophobicContact CD1-CD1 4.14Å; L94-F106 HydrophobicContact CD1-CE1 3.67Å; L94-I116 HydrophobicContact CD2-CD1 4.01Å; L94-I116 HydrophobicContact CD2-CG1 4.33Å
95	K	77.8	Confident	70.5	Confident	122 Å²	122	51.5 Å²	51.5	53%	0.53	28%	0.282	S	S	.	.	H	α-helix	trans	-60.3	-38.5	174.1	-74.6	178.3	-176.7	169.3	0	112.6	E91 P92 S98 S99	E91-K95 WeakPolarHBondContact O-CG 3.36Å; E91-K95 PolarHBondContact O-N 2.7Å; E91-K95 WeakPolarHBondContact OE1-CE 3.43Å; E91-K95 IonicContact OE1-NZ 3.23Å; E91-K95 PolarHBondContact OE1-NZ 3.48Å; P92-K95 PolarHBondContact O-N 3.36Å; K95-S98 WeakPolarHBondContact CA-OG 3.39Å; K95-S98 PolarHBondContact O-OG 3.35Å; K95-S99 WeakPolarHBondContact O-CB 3.29Å; K95-S99 PolarHBondContact O-N 3.13Å; K95-S99 PolarHBondContact O-OG 2.75Å
96	F	73.8	Confident	68.7	Low	64 Å²	64	53.7 Å²	53.7	28%	0.281	29%	0.291	S	S	.	.	H	α-helix	trans	-67.4	-41.3	175.8	177.8	-96.1	0	0	0	111.9	I43 F68 P92 S93 L94 S99 I100	I43-F96 HydrophobicContact CD1-CD1 4.35Å; I43-F96 HydrophobicContact CG2-CD1 3.6Å; I43-F96 HydrophobicContact CG2-CE1 3.73Å; I43-F96 HydrophobicContact CG2-CG 4.35Å; F68-F96 AromaticContact CD1-CE1 3.71Å; F68-F96 HydrophobicContact CD1-CE1 3.71Å; F68-F96 HydrophobicContact CD1-CZ 4.4Å; F68-F96 HydrophobicContact CE1-CE1 4.03Å; F68-F96 HydrophobicContact CG-CE1 4.11Å; P92-F96 WeakPolarHBondContact O-CB 3.38Å; P92-F96 PolarHBondContact O-N 3.02Å; S93-F96 PolarHBondContact O-N 3.24Å; L94-F96 VanDerWaalsContact C-N 3.31Å; L94-F96 PolarHBondContact O-N 3.28Å; F96-S99 PolarHBondContact O-OG 3.41Å; F96-I100 HydrophobicContact CD1-CD1 3.74Å; F96-I100 HydrophobicContact CD2-CD1 4.1Å; F96-I100 HydrophobicContact CE1-CD1 3.33Å; F96-I100 HydrophobicContact CE2-CD1 3.71Å; F96-I100 HydrophobicContact CG-CD1 4.13Å; F96-I100 HydrophobicContact CZ-CD1 3.33Å; F96-I100 VanDerWaalsContact O-CD1 3.32Å; F96-I100 WeakPolarHBondContact O-CD1 3.38Å; F96-I100 WeakPolarHBondContact O-CG1 3.3Å; F96-I100 PolarHBondContact O-N 2.99Å
97	I	70.6	Confident	66.9	Low	16 Å²	16	61.5 Å²	61.5	8%	0.082	33%	0.327	C	S	.	.	H	α-helix	trans	-66.5	-43.1	175.9	-62.8	169.3	0	0	0	110.5	I43 F68 I89 S93 L94 I100 V101 F106	I43-I97 HydrophobicContact CD1-CD1 3.54Å; I43-I97 HydrophobicContact CD1-CG1 3.46Å; I43-I97 VanDerWaalsContact CD1-CG1 3.46Å; F68-I97 HydrophobicContact CE2-CG1 4.35Å; F68-I97 HydrophobicContact CZ-CG1 4.14Å; I89-I97 HydrophobicContact CD1-CD1 3.5Å; I89-I97 VanDerWaalsContact CD1-CD1 3.5Å; S93-I97 WeakPolarHBondContact O-CG1 3.44Å; S93-I97 PolarHBondContact O-N 3.43Å; L94-I97 PolarHBondContact O-N 2.79Å; I97-I100 PolarHBondContact O-N 3.48Å; I97-V101 HydrophobicContact CG2-CG2 3.88Å; I97-V101 WeakPolarHBondContact O-CB 3.18Å; I97-V101 WeakPolarHBondContact O-CG2 3.29Å; I97-V101 PolarHBondContact O-N 3.48Å; I97-F106 HydrophobicContact CB-CE2 4.45Å; I97-F106 HydrophobicContact CD1-CZ 4.4Å; I97-F106 HydrophobicContact CG2-CD2 3.61Å; I97-F106 HydrophobicContact CG2-CE2 3.25Å; I97-F106 HydrophobicContact CG2-CG 4.42Å; I97-F106 HydrophobicContact CG2-CZ 3.77Å
98	S	68.1	Low	65.3	Low	39 Å²	39	62.6 Å²	62.6	27%	0.273	33%	0.333	S	S	.	.	H	α-helix	trans	-67	-36.2	-178.7	66.6	0	0	0	0	113	L94 K95 I100 G102	L94-S98 PolarHBondContact O-N 3.4Å; L94-S98 PolarHBondContact O-OG 3.17Å; K95-S98 WeakPolarHBondContact CA-OG 3.39Å; K95-S98 PolarHBondContact O-OG 3.35Å; S98-I100 PolarHBondContact O-N 2.84Å; S98-G102 CarbonylContact O-C 3.44Å; S98-G102 PolarHBondContact O-N 2.89Å
99	S	63.2	Low	63.4	Low	91 Å²	91	65.1 Å²	65.1	64%	0.636	35%	0.351	S	S	*	.	H	α-helix	trans	-63.9	-27.2	175.5	68.1	0	0	0	0	112.9	K95 F96	K95-S99 WeakPolarHBondContact O-CB 3.29Å; K95-S99 PolarHBondContact O-N 3.13Å; K95-S99 PolarHBondContact O-OG 2.75Å; F96-S99 PolarHBondContact O-OG 3.41Å
100	I	57.8	Low	61.4	Low	64 Å²	64	70.9 Å²	70.9	33%	0.328	39%	0.391	S	S	.	.	H	α-helix	trans	-93.4	-37.8	-177.2	-60.9	173.6	0	0	0	111.8	F68 L70 F96 I97 S98	F68-I100 HydrophobicContact CD1-CD1 4.16Å; F68-I100 HydrophobicContact CE1-CD1 3.83Å; L70-I100 HydrophobicContact CD1-CB 4.44Å; L70-I100 HydrophobicContact CD1-CG2 3.01Å; L70-I100 HydrophobicContact CD2-CB 4.15Å; L70-I100 HydrophobicContact CD2-CG2 3.39Å; L70-I100 HydrophobicContact CG-CG2 3.47Å; L70-I100 VanDerWaalsContact CG-CG2 3.47Å; F96-I100 HydrophobicContact CD1-CD1 3.74Å; F96-I100 HydrophobicContact CD2-CD1 4.1Å; F96-I100 HydrophobicContact CE1-CD1 3.33Å; F96-I100 HydrophobicContact CE2-CD1 3.71Å; F96-I100 HydrophobicContact CG-CD1 4.13Å; F96-I100 HydrophobicContact CZ-CD1 3.33Å; F96-I100 VanDerWaalsContact O-CD1 3.32Å; F96-I100 WeakPolarHBondContact O-CD1 3.38Å; F96-I100 WeakPolarHBondContact O-CG1 3.3Å; F96-I100 PolarHBondContact O-N 2.99Å; I97-I100 PolarHBondContact O-N 3.48Å; S98-I100 PolarHBondContact O-N 2.84Å
101	V	56.6	Low	59.7	Low	26 Å²	26	72.8 Å²	72.8	16%	0.158	41%	0.412	C	S	.	.	H	α-helix	trans	-79.1	-21.9	-178.9	173.1	0	0	0	0	112.3	L70 I97 K105 F106	L70-V101 HydrophobicContact CD2-CB 4.38Å; L70-V101 HydrophobicContact CD2-CG2 3.37Å; I97-V101 HydrophobicContact CG2-CG2 3.88Å; I97-V101 WeakPolarHBondContact O-CB 3.18Å; I97-V101 WeakPolarHBondContact O-CG2 3.29Å; I97-V101 PolarHBondContact O-N 3.48Å; V101-K105 HydrophobicContact CG1-CB 3.42Å; V101-K105 VanDerWaalsContact CG1-CB 3.42Å; V101-F106 HydrophobicContact CB-CD2 4.47Å; V101-F106 HydrophobicContact CG1-CB 4.26Å; V101-F106 HydrophobicContact CG1-CD2 4.27Å; V101-F106 HydrophobicContact CG2-CD2 4.24Å
102	G	48.4	Very low	58.7	Low	34 Å²	34	69 Å²	69	35%	0.351	39%	0.394	S	S	.	.			trans	80.2	141.2	-164	0	0	0	0	0	110.3	S98 D104 K105	S98-G102 CarbonylContact O-C 3.44Å; S98-G102 PolarHBondContact O-N 2.89Å; G102-D104 PolarHBondContact O-N 2.7Å; G102-D104 VanDerWaalsContact O-N 3.1Å; G102-K105 PolarHBondContact O-N 3.34Å
103	T	43.9	Very low	58.1	Low	109 Å²	109	70.7 Å²	70.7	67%	0.669	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-52.3	-35.4	-174.1	46.9	0	0	0	0	113.3
104	D	42.6	Very low	57.8	Low	135 Å²	135	73.6 Å²	73.6	72%	0.722	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-80.7	-21	-171.1	-61.3	-9.6	0	0	0	114	G102	G102-D104 PolarHBondContact O-N 2.7Å; G102-D104 VanDerWaalsContact O-N 3.1Å
105	K	44.6	Very low	57.8	Low	153 Å²	153	73.3 Å²	73.3	67%	0.665	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-97.5	-5.8	-174.3	-75.1	-178.5	-176	174.1	0	114.1	V101 G102	V101-K105 HydrophobicContact CG1-CB 3.42Å; V101-K105 VanDerWaalsContact CG1-CB 3.42Å; G102-K105 PolarHBondContact O-N 3.34Å
106	F	42.3	Very low	58.2	Low	50 Å²	50	71.8 Å²	71.8	22%	0.219	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-99.1	16.5	172.7	-145.5	-99.8	0	0	0	112.8	L94 I97 V101 I108	L94-F106 HydrophobicContact CD1-CD1 4.14Å; L94-F106 HydrophobicContact CD1-CE1 3.67Å; I97-F106 HydrophobicContact CB-CE2 4.45Å; I97-F106 HydrophobicContact CD1-CZ 4.4Å; I97-F106 HydrophobicContact CG2-CD2 3.61Å; I97-F106 HydrophobicContact CG2-CE2 3.25Å; I97-F106 HydrophobicContact CG2-CG 4.42Å; I97-F106 HydrophobicContact CG2-CZ 3.77Å; V101-F106 HydrophobicContact CB-CD2 4.47Å; V101-F106 HydrophobicContact CG1-CB 4.26Å; V101-F106 HydrophobicContact CG1-CD2 4.27Å; V101-F106 HydrophobicContact CG2-CD2 4.24Å; F106-I108 HydrophobicContact CD1-CD1 3.95Å; F106-I108 HydrophobicContact CD1-CG1 3.87Å; F106-I108 HydrophobicContact CE1-CD1 3.52Å; F106-I108 HydrophobicContact CE1-CG1 3.74Å; F106-I108 HydrophobicContact CG-CG1 4.45Å; F106-I108 HydrophobicContact CZ-CD1 4.2Å; F106-I108 HydrophobicContact CZ-CG1 4.17Å; F106-I108 PolarHBondContact O-N 3.04Å
107	H	42.8	Very low	58.8	Low	164 Å²	164	68.8 Å²	68.8	76%	0.759	40%	0.396	S	S	*	.			trans	-63.3	84.1	149.4	-78	-65.2	0	0	0	107.1	S109	H107-S109 PolarHBondContact O-N 2.9Å
108	I	47.5	Very low	59.6	Low	35 Å²	35	70.9 Å²	70.9	18%	0.179	41%	0.411	C	S	.	.			trans	-46.4	132.5	167.8	-61	159.2	0	0	0	106.3	F80 F106 S110 I112 T114	F80-I108 HydrophobicContact CD1-CG2 3.79Å; F80-I108 HydrophobicContact CE1-CG1 4.33Å; F80-I108 HydrophobicContact CE1-CG2 4.09Å; F106-I108 HydrophobicContact CD1-CD1 3.95Å; F106-I108 HydrophobicContact CD1-CG1 3.87Å; F106-I108 HydrophobicContact CE1-CD1 3.52Å; F106-I108 HydrophobicContact CE1-CG1 3.74Å; F106-I108 HydrophobicContact CG-CG1 4.45Å; F106-I108 HydrophobicContact CZ-CD1 4.2Å; F106-I108 HydrophobicContact CZ-CG1 4.17Å; F106-I108 PolarHBondContact O-N 3.04Å; I108-S110 PolarHBondContact O-N 3Å; I108-I112 HydrophobicContact CG2-CB 3.41Å; I108-I112 VanDerWaalsContact CG2-CB 3.41Å; I108-I112 HydrophobicContact CG2-CD1 3.54Å; I108-I112 HydrophobicContact CG2-CG1 3.94Å; I108-I112 HydrophobicContact CG2-CG2 3.69Å; I108-T114 HydrophobicContact CD1-CG2 3.14Å
109	S	45.9	Very low	60.5	Low	52 Å²	52	75.1 Å²	75.1	36%	0.364	43%	0.426	S	S	.	.			trans	-36.6	135.8	179.9	36.2	0	0	0	0	111.7	F80 H107 G111 I112	F80-S109 PolarHBondContact O-OG 3.13Å; H107-S109 PolarHBondContact O-N 2.9Å; S109-G111 PolarHBondContact O-N 3.44Å; S109-I112 PolarHBondContact O-N 3.18Å; S109-I112 WeakPolarHBondContact OG-CD1 3.35Å
110	S	44.2	Very low	61.6	Low	126 Å²	126	74.6 Å²	74.6	88%	0.881	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	94.7	179.3	51.5	0	0	0	0	110.7	I108	I108-S110 PolarHBondContact O-N 3Å
111	G	51.1	Low	63.1	Low	44 Å²	44	74.9 Å²	74.9	45%	0.454	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	154.1	-30.7	-178.3	0	0	0	0	0	115.2	D83 S109	D83-G111 VanDerWaalsContact O-O 3.09Å; S109-G111 PolarHBondContact O-N 3.44Å
112	I	62.9	Low	64.7	Low	20 Å²	20	74.1 Å²	74.1	10%	0.103	41%	0.414	C	S	.	.			trans	-86.7	129.2	-172.8	-60.9	173.3	0	0	0	111	F80 L85 I87 I108 S109	F80-I112 HydrophobicContact CB-CD1 3.69Å; F80-I112 HydrophobicContact CD1-CD1 3.58Å; F80-I112 HydrophobicContact CG-CD1 4.08Å; L85-I112 WeakPolarHBondContact O-CG2 3.29Å; I87-I112 HydrophobicContact CD1-CG2 3.73Å; I87-I112 HydrophobicContact CG1-CG2 3.92Å; I108-I112 HydrophobicContact CG2-CB 3.41Å; I108-I112 VanDerWaalsContact CG2-CB 3.41Å; I108-I112 HydrophobicContact CG2-CD1 3.54Å; I108-I112 HydrophobicContact CG2-CG1 3.94Å; I108-I112 HydrophobicContact CG2-CG2 3.69Å; S109-I112 PolarHBondContact O-N 3.18Å; S109-I112 WeakPolarHBondContact OG-CD1 3.35Å
113	Q	71.3	Confident	66.8	Low	99 Å²	99	74.2 Å²	74.2	46%	0.463	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124	178.5	-67.3	-179.8	-6.3	0	0	110.1	L85 V86 I87	L85-Q113 PolarHBondContact O-N 2.92Å; V86-Q113 CarbonylContact C-O 3.55Å; V86-Q113 VanDerWaalsContact CA-O 3.31Å; V86-Q113 WeakPolarHBondContact CA-O 3.32Å; V86-Q113 HydrophobicContact CG2-CB 4.28Å; I87-Q113 PolarHBondContact N-O 2.96Å
114	T	77	Confident	68.9	Low	62 Å²	62	71.6 Å²	71.6	38%	0.38	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.7	171	51.5	0	0	0	0	110.6	I87 I108	I87-T114 HydrophobicContact CB-CG2 4.24Å; I87-T114 CarbonylContact O-C 3.5Å; I87-T114 WeakPolarHBondContact O-CA 3.26Å; I108-T114 HydrophobicContact CD1-CG2 3.14Å
115	E	82.6	Confident	71.1	Confident	35 Å²	35	72 Å²	72	16%	0.164	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127	171.9	-67.5	-166.5	-145.7	0	0	110.7	V86 I87 L88 I89 R173 R176	V86-E115 HydrophobicContact CG1-CG 4.19Å; I87-E115 PolarHBondContact O-N 2.86Å; L88-E115 HydrophobicContact CD2-CB 3.96Å; I89-E115 PolarHBondContact N-O 2.81Å; I89-E115 VanDerWaalsContact N-O 3.11Å; E115-R173 IonicContact OE1-CZ 3.77Å; E115-R173 IonicContact OE1-NE 3.96Å; E115-R173 PolarHBondContact OE1-NE 3.27Å; E115-R173 IonicContact OE1-NH2 3.35Å; E115-R173 PolarHBondContact OE1-NH2 3.14Å; E115-R173 VanDerWaalsContact OE2-CD 3.25Å; E115-R173 WeakPolarHBondContact OE2-CD 3.31Å; E115-R173 IonicContact OE2-CZ 3.96Å; E115-R173 IonicContact OE2-NE 3.41Å; E115-R173 PolarHBondContact OE2-NE 2.87Å; E115-R173 IonicContact OE2-NH2 2.85Å; E115-R176 IonicContact OE2-CZ 3.42Å; E115-R176 IonicContact OE2-NH1 3.23Å; E115-R176 IonicContact OE2-NH2 3.46Å; E115-R176 PolarHBondContact OE2-NH2 3.46Å
116	I	85.1	Confident	73.2	Confident	89 Å²	89	66.6 Å²	66.6	46%	0.456	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.6	175.3	-58.5	176.4	0	0	0	108.7	I89 E91 L94	I89-I116 WeakPolarHBondContact O-CA 3.49Å; E91-I116 HydrophobicContact CB-CG2 4Å; L94-I116 HydrophobicContact CD2-CD1 4.01Å; L94-I116 HydrophobicContact CD2-CG1 4.33Å
117	I	86.8	Confident	75.5	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	35%	0.353	C	S	.	.			trans	-106.3	139.5	177.3	-62.9	-174.7	0	0	0	109.7	L88 I89 Q119 Y122 G169 Y172 R173	L88-I117 HydrophobicContact CB-CD1 3.72Å; L88-I117 HydrophobicContact CB-CG1 4.44Å; L88-I117 HydrophobicContact CD1-CD1 4Å; L88-I117 HydrophobicContact CD2-CD1 4.11Å; L88-I117 HydrophobicContact CG-CD1 4.15Å; I89-I117 PolarHBondContact O-N 3.45Å; I117-Q119 PolarHBondContact O-N 2.63Å; I117-Y122 HydrophobicContact CB-CD2 4.37Å; I117-Y122 HydrophobicContact CB-CE2 3.71Å; I117-Y122 HydrophobicContact CD1-CE2 4.18Å; I117-Y122 HydrophobicContact CG1-CE2 4.46Å; I117-Y122 HydrophobicContact CG2-CD2 3.96Å; I117-Y122 HydrophobicContact CG2-CE2 3.67Å; I117-G169 VanDerWaalsContact CD1-O 3.24Å; I117-G169 WeakPolarHBondContact CD1-O 3.45Å; I117-Y172 HydrophobicContact CD1-CD1 4.46Å; I117-Y172 HydrophobicContact CG2-CD1 3.64Å; I117-Y172 HydrophobicContact CG2-CE1 4.07Å; I117-R173 HydrophobicContact CD1-CB 3.93Å
118	P	86.8	Confident	77.8	Confident	61 Å²	61	57 Å²	57	40%	0.396	32%	0.32	S	S	.	.			trans	-58.4	137.2	176	-22	31.7	0	0	0	112.5	S120 Y121	P118-S120 PolarHBondContact O-N 2.9Å; P118-S120 VanDerWaalsContact O-N 3.16Å; P118-Y121 HydrophobicContact CB-CD2 3.78Å; P118-Y121 HydrophobicContact CB-CE2 4.02Å; P118-Y121 HydrophobicContact CG-CD2 3.98Å; P118-Y121 HydrophobicContact CG-CE2 4Å; P118-Y121 PolarHBondContact O-N 3.47Å; P118-Y121 VanDerWaalsContact O-N 3.12Å
119	Q	87.5	Confident	79.7	Confident	128 Å²	128	60 Å²	60	60%	0.598	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-61.2	-26.7	-175.4	-172.9	178.9	3.6	0	0	113.6	I117 Y121 Y122	I117-Q119 PolarHBondContact O-N 2.63Å; Q119-Y121 PolarHBondContact O-N 3.29Å; Q119-Y122 PolarHBondContact O-N 3.42Å
120	S	87.2	Confident	81.5	Confident	79 Å²	79	58.8 Å²	58.8	55%	0.552	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-56.6	-33	176.1	49.7	0	0	0	0	113	P118 S123	P118-S120 PolarHBondContact O-N 2.9Å; P118-S120 VanDerWaalsContact O-N 3.16Å; S120-S123 WeakPolarHBondContact O-CB 3.32Å; S120-S123 PolarHBondContact O-OG 3.33Å
121	Y	88.5	Confident	83.4	Confident	70 Å²	70	53 Å²	53	28%	0.275	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-84.7	-11.9	179.4	-59.5	-67.5	0	0	0	113.4	P118 Q119 S123 F126 S168 Y172	P118-Y121 HydrophobicContact CB-CD2 3.78Å; P118-Y121 HydrophobicContact CB-CE2 4.02Å; P118-Y121 HydrophobicContact CG-CD2 3.98Å; P118-Y121 HydrophobicContact CG-CE2 4Å; P118-Y121 PolarHBondContact O-N 3.47Å; P118-Y121 VanDerWaalsContact O-N 3.12Å; Q119-Y121 PolarHBondContact O-N 3.29Å; Y121-S123 PolarHBondContact O-N 3.08Å; Y121-S123 VanDerWaalsContact O-N 3.13Å; Y121-F126 HydrophobicContact CD1-CD1 4.18Å; Y121-F126 AromaticContact CD1-CD2 3.75Å; Y121-F126 HydrophobicContact CD1-CD2 3.75Å; Y121-F126 HydrophobicContact CD1-CE1 4.02Å; Y121-F126 AromaticContact CD1-CE2 3.55Å; Y121-F126 HydrophobicContact CD1-CE2 3.55Å; Y121-F126 HydrophobicContact CD1-CG 4.06Å; Y121-F126 AromaticContact CD1-CZ 3.7Å; Y121-F126 HydrophobicContact CD1-CZ 3.7Å; Y121-F126 HydrophobicContact CE1-CD2 4.18Å; Y121-F126 AromaticContact CE1-CE2 3.77Å; Y121-F126 HydrophobicContact CE1-CE2 3.77Å; Y121-F126 HydrophobicContact CE1-CZ 4.16Å; Y121-S168 CarbonylContact O-C 3.38Å; Y121-S168 VanDerWaalsContact O-CB 3.28Å; Y121-S168 WeakPolarHBondContact O-CB 3.33Å; Y121-S168 PolarHBondContact O-OG 2.86Å; Y121-Y172 AromaticContact CD1-CD2 3.42Å; Y121-Y172 HydrophobicContact CD1-CD2 3.42Å; Y121-Y172 VanDerWaalsContact CD1-CD2 3.42Å; Y121-Y172 AromaticContact CD1-CE2 3.83Å; Y121-Y172 HydrophobicContact CD1-CE2 3.83Å; Y121-Y172 AromaticContact CD1-CG 3.95Å; Y121-Y172 HydrophobicContact CD1-CG 3.95Å; Y121-Y172 HydrophobicContact CD2-CD1 4.01Å; Y121-Y172 AromaticContact CD2-CD2 3.82Å; Y121-Y172 HydrophobicContact CD2-CD2 3.82Å; Y121-Y172 AromaticContact CD2-CE1 3.86Å; Y121-Y172 HydrophobicContact CD2-CE1 3.86Å; Y121-Y172 AromaticContact CD2-CE2 3.69Å; Y121-Y172 HydrophobicContact CD2-CE2 3.69Å; Y121-Y172 AromaticContact CD2-CG 3.97Å; Y121-Y172 HydrophobicContact CD2-CG 3.97Å; Y121-Y172 AromaticContact CD2-CZ 3.7Å; Y121-Y172 AromaticContact CE1-CD2 3.6Å; Y121-Y172 HydrophobicContact CE1-CD2 3.6Å; Y121-Y172 AromaticContact CE1-CE2 3.57Å; Y121-Y172 HydrophobicContact CE1-CE2 3.57Å; Y121-Y172 AromaticContact CE2-CD2 3.99Å; Y121-Y172 HydrophobicContact CE2-CD2 3.99Å; Y121-Y172 HydrophobicContact CE2-CE1 4.11Å; Y121-Y172 AromaticContact CE2-CE2 3.42Å; Y121-Y172 HydrophobicContact CE2-CE2 3.42Å; Y121-Y172 VanDerWaalsContact CE2-CE2 3.42Å; Y121-Y172 AromaticContact CE2-CZ 3.48Å; Y121-Y172 VanDerWaalsContact CE2-CZ 3.48Å; Y121-Y172 HydrophobicContact CG-CD1 4.1Å; Y121-Y172 AromaticContact CG-CD2 3.54Å; Y121-Y172 HydrophobicContact CG-CD2 3.54Å; Y121-Y172 HydrophobicContact CG-CE1 4.39Å; Y121-Y172 AromaticContact CG-CE2 3.89Å; Y121-Y172 HydrophobicContact CG-CE2 3.89Å; Y121-Y172 AromaticContact CG-CG 3.65Å; Y121-Y172 HydrophobicContact CG-CG 3.65Å; Y121-Y172 AromaticContact CZ-CD2 3.87Å; Y121-Y172 AromaticContact CZ-CE2 3.34Å; Y121-Y172 AromaticContact CZ-CZ 3.89Å
122	Y	90.9	Very high	84.9	Confident	11 Å²	11	55.5 Å²	55.5	4%	0.043	29%	0.287	C	S	.	.	S	Bend	trans	-85.2	50.9	168.2	-85.7	-108.1	0	0	0	110.5	S40 V41 C42 L88 T90 I117 Q119 R165 S168 G169	S40-Y122 PolarHBondContact OG-OH 3.1Å; V41-Y122 VanDerWaalsContact O-CE1 3.27Å; V41-Y122 WeakPolarHBondContact O-CE1 3.46Å; C42-Y122 HydrophobicContact CB-CD1 3.77Å; C42-Y122 HydrophobicContact CB-CE1 3.97Å; L88-Y122 VanDerWaalsContact C-OH 3.26Å; L88-Y122 PolarHBondContact O-OH 2.58Å; T90-Y122 HydrophobicContact CG2-CD1 3.86Å; T90-Y122 HydrophobicContact CG2-CD2 3.4Å; T90-Y122 HydrophobicContact CG2-CE1 4.17Å; T90-Y122 HydrophobicContact CG2-CE2 3.77Å; T90-Y122 HydrophobicContact CG2-CG 3.43Å; T90-Y122 VanDerWaalsContact CG2-CG 3.43Å; I117-Y122 HydrophobicContact CB-CD2 4.37Å; I117-Y122 HydrophobicContact CB-CE2 3.71Å; I117-Y122 HydrophobicContact CD1-CE2 4.18Å; I117-Y122 HydrophobicContact CG1-CE2 4.46Å; I117-Y122 HydrophobicContact CG2-CD2 3.96Å; I117-Y122 HydrophobicContact CG2-CE2 3.67Å; Q119-Y122 PolarHBondContact O-N 3.42Å; Y122-R165 HydrophobicContact CD1-CB 4.45Å; Y122-R165 WeakPolarHBondContact CD1-O 3.41Å; Y122-R165 WeakPolarHBondContact O-CB 3.4Å; Y122-R165 WeakPolarHBondContact O-CD 3.24Å; Y122-R165 VanDerWaalsContact O-CG 3.24Å; Y122-R165 WeakPolarHBondContact O-CG 3.25Å; Y122-S168 WeakPolarHBondContact CA-OG 3.23Å; Y122-G169 VanDerWaalsContact CE2-CA 3.5Å
123	S	91.1	Very high	85.9	Confident	36 Å²	36	56.1 Å²	56.1	25%	0.252	29%	0.291	S	S	.	.	S	Bend	trans	-125.8	139.5	-178.6	68.9	0	0	0	0	111.7	S120 Y121 Q125 F126 L127 S168	S120-S123 WeakPolarHBondContact O-CB 3.32Å; S120-S123 PolarHBondContact O-OG 3.33Å; Y121-S123 PolarHBondContact O-N 3.08Å; Y121-S123 VanDerWaalsContact O-N 3.13Å; S123-Q125 PolarHBondContact O-N 2.79Å; S123-F126 PolarHBondContact O-N 2.65Å; S123-F126 WeakPolarHBondContact OG-CB 3.37Å; S123-F126 PolarHBondContact OG-N 3.34Å; S123-L127 PolarHBondContact O-N 3.41Å; S123-S168 PolarHBondContact N-OG 3.37Å; S123-S168 VanDerWaalsContact N-OG 3.14Å; S123-S168 WeakPolarHBondContact O-CB 3.22Å; S123-S168 PolarHBondContact O-OG 3.25Å
124	E	88.4	Confident	86.5	Confident	54 Å²	54	51.5 Å²	51.5	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-33.5	174.5	-174.3	-179	160.5	0	0	110.8	L127 M128 K153 L164	E124-L127 WeakPolarHBondContact O-CB 3.46Å; E124-L127 PolarHBondContact O-N 2.86Å; E124-M128 HydrophobicContact CG-CE 4.4Å; E124-M128 HydrophobicContact CG-CG 4.5Å; E124-M128 WeakPolarHBondContact O-CG 3.44Å; E124-M128 PolarHBondContact O-N 3.24Å; E124-M128 VanDerWaalsContact O-N 3.08Å; E124-K153 WeakPolarHBondContact OE1-CE 3.49Å; E124-K153 IonicContact OE1-NZ 2.76Å; E124-K153 PolarHBondContact OE1-NZ 2.86Å; E124-L164 HydrophobicContact CG-CD1 4.17Å
125	Q	89	Confident	86.9	Confident	142 Å²	142	50 Å²	50	66%	0.664	26%	0.262	S	S	*	.	H	α-helix	trans	-62.8	-48.7	177.6	-174.2	169.7	-3	0	0	111.7	S123 L127 M128 D129	S123-Q125 PolarHBondContact O-N 2.79Å; Q125-L127 VanDerWaalsContact C-N 3.31Å; Q125-L127 PolarHBondContact O-N 2.96Å; Q125-M128 PolarHBondContact O-N 3.38Å; Q125-D129 VanDerWaalsContact O-CG 3.31Å; Q125-D129 PolarHBondContact O-N 2.82Å
126	F	89.5	Confident	87.1	Confident	40 Å²	40	48.6 Å²	48.6	18%	0.175	26%	0.256	C	S	.	.	H	α-helix	trans	-57.9	-43.3	176.7	179.5	-100.5	0	0	0	112.1	Y121 S123 M128 D129 S130 Y172	Y121-F126 HydrophobicContact CD1-CD1 4.18Å; Y121-F126 AromaticContact CD1-CD2 3.75Å; Y121-F126 HydrophobicContact CD1-CD2 3.75Å; Y121-F126 HydrophobicContact CD1-CE1 4.02Å; Y121-F126 AromaticContact CD1-CE2 3.55Å; Y121-F126 HydrophobicContact CD1-CE2 3.55Å; Y121-F126 HydrophobicContact CD1-CG 4.06Å; Y121-F126 AromaticContact CD1-CZ 3.7Å; Y121-F126 HydrophobicContact CD1-CZ 3.7Å; Y121-F126 HydrophobicContact CE1-CD2 4.18Å; Y121-F126 AromaticContact CE1-CE2 3.77Å; Y121-F126 HydrophobicContact CE1-CE2 3.77Å; Y121-F126 HydrophobicContact CE1-CZ 4.16Å; S123-F126 PolarHBondContact O-N 2.65Å; S123-F126 WeakPolarHBondContact OG-CB 3.37Å; S123-F126 PolarHBondContact OG-N 3.34Å; F126-M128 VanDerWaalsContact C-N 3.29Å; F126-M128 PolarHBondContact O-N 3.42Å; F126-D129 PolarHBondContact O-N 2.93Å; F126-S130 WeakPolarHBondContact O-CB 3.19Å; F126-S130 PolarHBondContact O-N 3.03Å; F126-S130 PolarHBondContact O-OG 3Å; F126-Y172 HydrophobicContact CE1-CD2 4.47Å; F126-Y172 HydrophobicContact CZ-CD2 4.06Å
127	L	89.9	Confident	87.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.2	-43.7	174.7	-177.8	63.8	0	0	0	112.3	S123 E124 Q125 D129 H131 M134 I152 L164 L167 L171	S123-L127 PolarHBondContact O-N 3.41Å; E124-L127 WeakPolarHBondContact O-CB 3.46Å; E124-L127 PolarHBondContact O-N 2.86Å; Q125-L127 VanDerWaalsContact C-N 3.31Å; Q125-L127 PolarHBondContact O-N 2.96Å; L127-D129 VanDerWaalsContact C-N 3.33Å; L127-H131 PolarHBondContact O-N 3.37Å; L127-H131 VanDerWaalsContact O-N 3.13Å; L127-M134 HydrophobicContact CD1-CE 3.59Å; L127-M134 HydrophobicContact CD1-SD 4.09Å; L127-M134 HydrophobicContact CG-CE 4.31Å; L127-I152 HydrophobicContact CD2-CG2 4.35Å; L127-L164 HydrophobicContact CD2-CB 4.19Å; L127-L164 HydrophobicContact CD2-CD2 3.9Å; L127-L167 HydrophobicContact CD1-CB 4.5Å; L127-L167 HydrophobicContact CD1-CD2 3.99Å; L127-L167 HydrophobicContact CD1-CG 3.87Å; L127-L167 HydrophobicContact CD2-CB 4.42Å; L127-L167 HydrophobicContact CD2-CD2 3.97Å; L127-L167 HydrophobicContact CD2-CG 4.35Å; L127-L171 HydrophobicContact CD1-CD2 3.99Å
128	M	90.3	Very high	87.1	Confident	14 Å²	14	49.2 Å²	49.2	7%	0.069	26%	0.264	C	S	.	.	H	α-helix	trans	-71.6	-30.1	-178.7	-64.7	-63.1	133.8	0	0	111.9	E124 Q125 F126 H131 K149 I152 K153	E124-M128 HydrophobicContact CG-CE 4.4Å; E124-M128 HydrophobicContact CG-CG 4.5Å; E124-M128 WeakPolarHBondContact O-CG 3.44Å; E124-M128 PolarHBondContact O-N 3.24Å; E124-M128 VanDerWaalsContact O-N 3.08Å; Q125-M128 PolarHBondContact O-N 3.38Å; F126-M128 VanDerWaalsContact C-N 3.29Å; F126-M128 PolarHBondContact O-N 3.42Å; M128-H131 PolarHBondContact O-ND1 3.04Å; M128-K149 HydrophobicContact CB-CD 4.16Å; M128-K149 HydrophobicContact CB-CG 4.4Å; M128-K149 WeakPolarHBondContact O-CE 3.24Å; M128-K149 PolarHBondContact O-NZ 3.48Å; M128-K149 HydrophobicContact SD-CB 3.7Å; M128-K149 HydrophobicContact SD-CD 4.39Å; M128-K149 HydrophobicContact SD-CG 3.84Å; M128-I152 HydrophobicContact CE-CG2 4.39Å; M128-K153 HydrophobicContact CE-CD 4.29Å; M128-K153 HydrophobicContact CE-CG 3.71Å; M128-K153 VanDerWaalsContact SD-CE 3.54Å; M128-K153 HydrophobicContact SD-CG 4.4Å
129	D	87.2	Confident	87.2	Confident	97 Å²	97	46.8 Å²	46.8	52%	0.519	25%	0.247	S	C	.	.	H	α-helix	trans	-76.6	-37.9	177.1	-65.1	-20.8	0	0	0	110.9	Q125 F126 L127 H131	Q125-D129 VanDerWaalsContact O-CG 3.31Å; Q125-D129 PolarHBondContact O-N 2.82Å; F126-D129 PolarHBondContact O-N 2.93Å; L127-D129 VanDerWaalsContact C-N 3.33Å; D129-H131 PolarHBondContact O-N 3.45Å
130	S	85.6	Confident	87	Confident	26 Å²	26	42.6 Å²	42.6	18%	0.182	23%	0.231	C	C	.	.	S	Bend	trans	-90.1	11.6	178.7	-56.4	0	0	0	0	114.9	F126 Q132 V133	F126-S130 WeakPolarHBondContact O-CB 3.19Å; F126-S130 PolarHBondContact O-N 3.03Å; F126-S130 PolarHBondContact O-OG 3Å; S130-Q132 PolarHBondContact O-N 2.97Å; S130-V133 WeakPolarHBondContact O-CB 3.3Å; S130-V133 PolarHBondContact O-N 3.31Å; S130-V133 VanDerWaalsContact O-N 3.11Å
131	H	83.9	Confident	86.7	Confident	5 Å²	5	46.7 Å²	46.7	2%	0.023	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-60.8	-17.6	-173.9	76.8	-73.4	0	0	0	115.7	L127 M128 D129 V133 M134 D145 R148 I152	L127-H131 PolarHBondContact O-N 3.37Å; L127-H131 VanDerWaalsContact O-N 3.13Å; M128-H131 PolarHBondContact O-ND1 3.04Å; D129-H131 PolarHBondContact O-N 3.45Å; H131-V133 VanDerWaalsContact C-N 3.28Å; H131-M134 HydrophobicContact CB-CE 4.27Å; H131-M134 PolarHBondContact O-N 3.32Å; H131-D145 IonicContact NE2-OD1 2.65Å; H131-R148 PolarHBondContact O-NH2 3.3Å; H131-I152 HydrophobicContact CB-CD1 3.74Å
132	Q	81.9	Confident	86.4	Confident	97 Å²	97	49.5 Å²	49.5	45%	0.453	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-70.7	-26.7	178	-67.9	179.5	-14.3	0	0	112.3	S130 M134	S130-Q132 PolarHBondContact O-N 2.97Å; Q132-M134 PolarHBondContact O-N 3.49Å
133	V	82.8	Confident	86.1	Confident	33 Å²	33	51.7 Å²	51.7	20%	0.2	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-71.5	-16.9	179.9	179.8	0	0	0	0	112.6	S130 H131 L171 T175 I189 L190	S130-V133 WeakPolarHBondContact O-CB 3.3Å; S130-V133 PolarHBondContact O-N 3.31Å; S130-V133 VanDerWaalsContact O-N 3.11Å; H131-V133 VanDerWaalsContact C-N 3.28Å; V133-L171 HydrophobicContact CB-CD1 4.19Å; V133-L171 HydrophobicContact CG1-CD1 3.94Å; V133-T175 HydrophobicContact CG1-CG2 3.81Å; V133-T175 HydrophobicContact CG2-CG2 4.45Å; V133-I189 HydrophobicContact CG1-CB 3.51Å; V133-I189 HydrophobicContact CG1-CD1 3.74Å; V133-I189 HydrophobicContact CG1-CG1 3.74Å; V133-I189 PolarHBondContact O-N 3.35Å; V133-L190 PolarHBondContact O-N 2.92Å
134	M	84.6	Confident	85.9	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	119.6	177.9	-63	-171.8	-76.7	0	0	111.1	L127 H131 Q132 R148 I152 L167 L171 L190	L127-M134 HydrophobicContact CD1-CE 3.59Å; L127-M134 HydrophobicContact CD1-SD 4.09Å; L127-M134 HydrophobicContact CG-CE 4.31Å; H131-M134 HydrophobicContact CB-CE 4.27Å; H131-M134 PolarHBondContact O-N 3.32Å; Q132-M134 PolarHBondContact O-N 3.49Å; M134-R148 PolarHBondContact O-NH2 3.41Å; M134-I152 HydrophobicContact CE-CD1 3.48Å; M134-I152 VanDerWaalsContact CE-CD1 3.48Å; M134-I152 HydrophobicContact CE-CG1 4.13Å; M134-I152 HydrophobicContact CE-CG2 4.2Å; M134-L167 HydrophobicContact SD-CD2 4.34Å; M134-L171 HydrophobicContact CE-CD2 4.49Å; M134-L171 HydrophobicContact CG-CD1 3.78Å; M134-L171 HydrophobicContact CG-CD2 4.38Å; M134-L190 WeakPolarHBondContact CA-O 3.45Å; M134-L190 HydrophobicContact CG-CB 4.28Å; M134-L190 HydrophobicContact CG-CD2 3.99Å; M134-L190 HydrophobicContact CG-CG 4.43Å; M134-L190 HydrophobicContact SD-CD2 4.1Å
135	S	85.2	Confident	85.8	Confident	31 Å²	31	54.2 Å²	54.2	22%	0.217	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.9	161.9	-165.5	0	0	0	0	108.7	N188 L190 D191 I192	S135-N188 VanDerWaalsContact CB-CG 3.48Å; S135-N188 VanDerWaalsContact CB-ND2 3.32Å; S135-N188 WeakPolarHBondContact CB-ND2 3.31Å; S135-N188 PolarHBondContact OG-ND2 3.13Å; S135-L190 PolarHBondContact N-O 2.68Å; S135-D191 WeakPolarHBondContact CB-OD1 3.05Å; S135-D191 CarbonylContact O-C 3.59Å; S135-I192 PolarHBondContact O-N 3.37Å
136	I	88	Confident	85.7	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	112.9	172.5	-61.7	156.3	0	0	0	106	F138 M139 F151 I152 L155 I192	I136-F138 HydrophobicContact CG2-CD1 3.76Å; I136-F138 HydrophobicContact CG2-CD2 4.03Å; I136-F138 HydrophobicContact CG2-CE1 3.4Å; I136-F138 VanDerWaalsContact CG2-CE1 3.4Å; I136-F138 HydrophobicContact CG2-CE2 3.7Å; I136-F138 HydrophobicContact CG2-CG 4.05Å; I136-F138 HydrophobicContact CG2-CZ 3.37Å; I136-F138 PolarHBondContact O-N 2.83Å; I136-M139 HydrophobicContact CB-CB 3.87Å; I136-M139 HydrophobicContact CB-CE 4.27Å; I136-M139 HydrophobicContact CD1-CE 4.29Å; I136-M139 HydrophobicContact CD1-SD 4.32Å; I136-M139 HydrophobicContact CG2-CB 4.16Å; I136-M139 VanDerWaalsContact O-CB 3.3Å; I136-M139 WeakPolarHBondContact O-CB 3.37Å; I136-M139 PolarHBondContact O-N 2.63Å; I136-F151 HydrophobicContact CD1-CD1 4.27Å; I136-F151 HydrophobicContact CD1-CE1 4.26Å; I136-F151 HydrophobicContact CG2-CE1 3.96Å; I136-I152 HydrophobicContact CD1-CG1 3.89Å; I136-L155 HydrophobicContact CD1-CD1 3.89Å; I136-I192 WeakPolarHBondContact CA-O 3.19Å; I136-I192 HydrophobicContact CG1-CB 4.14Å; I136-I192 HydrophobicContact CG1-CD1 4.08Å
137	S	85.6	Confident	85.6	Confident	70 Å²	70	54.4 Å²	54.4	49%	0.49	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26	-167.9	-52.3	0	0	0	0	113.8	I192	S137-I192 PolarHBondContact N-O 3.32Å; S137-I192 PolarHBondContact OG-O 3.06Å
138	F	85.5	Confident	85.5	Confident	32 Å²	32	57 Å²	57	14%	0.14	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	6.9	179.9	58.2	-89.2	0	0	0	113.4	I13 I136 F151 L155 V193 V195	I13-F138 HydrophobicContact CD1-CB 4.41Å; I136-F138 HydrophobicContact CG2-CD1 3.76Å; I136-F138 HydrophobicContact CG2-CD2 4.03Å; I136-F138 HydrophobicContact CG2-CE1 3.4Å; I136-F138 VanDerWaalsContact CG2-CE1 3.4Å; I136-F138 HydrophobicContact CG2-CE2 3.7Å; I136-F138 HydrophobicContact CG2-CG 4.05Å; I136-F138 HydrophobicContact CG2-CZ 3.37Å; I136-F138 PolarHBondContact O-N 2.83Å; F138-F151 HydrophobicContact CD2-CE1 4.26Å; F138-F151 AromaticContact CD2-CZ 3.67Å; F138-F151 HydrophobicContact CD2-CZ 3.67Å; F138-F151 AromaticContact CE2-CE1 3.96Å; F138-F151 HydrophobicContact CE2-CE1 3.96Å; F138-F151 AromaticContact CE2-CZ 3.7Å; F138-F151 HydrophobicContact CE2-CZ 3.7Å; F138-L155 HydrophobicContact CE2-CD2 3.63Å; F138-L155 HydrophobicContact CZ-CD2 3.89Å; F138-V193 WeakPolarHBondContact CD1-O 3.23Å; F138-V193 WeakPolarHBondContact CE1-O 3.4Å; F138-V195 HydrophobicContact CZ-CG2 3.99Å
139	M	87.9	Confident	85.5	Confident	11 Å²	11	59.2 Å²	59.2	5%	0.054	33%	0.332	C	S	.	.	S	Bend	trans	-77.8	132.7	172.8	-177.5	167.5	52.2	0	0	110.2	I136 N141 L143 R148 F151	I136-M139 HydrophobicContact CB-CB 3.87Å; I136-M139 HydrophobicContact CB-CE 4.27Å; I136-M139 HydrophobicContact CD1-CE 4.29Å; I136-M139 HydrophobicContact CD1-SD 4.32Å; I136-M139 HydrophobicContact CG2-CB 4.16Å; I136-M139 VanDerWaalsContact O-CB 3.3Å; I136-M139 WeakPolarHBondContact O-CB 3.37Å; I136-M139 PolarHBondContact O-N 2.63Å; M139-N141 PolarHBondContact O-N 3.04Å; M139-L143 HydrophobicContact CG-CD1 3.86Å; M139-L143 HydrophobicContact SD-CD1 4.46Å; M139-R148 HydrophobicContact CE-CG 4.47Å; M139-R148 HydrophobicContact SD-CB 4.19Å; M139-R148 HydrophobicContact SD-CG 4.01Å; M139-F151 HydrophobicContact CB-CD1 3.93Å; M139-F151 HydrophobicContact CB-CE1 3.57Å; M139-F151 HydrophobicContact CB-CZ 3.95Å; M139-F151 HydrophobicContact CG-CD1 3.63Å; M139-F151 HydrophobicContact CG-CD2 4.43Å; M139-F151 HydrophobicContact CG-CE1 3.82Å; M139-F151 HydrophobicContact CG-CG 3.95Å; M139-F151 HydrophobicContact CG-CZ 4.29Å; M139-F151 HydrophobicContact SD-CB 4.31Å; M139-F151 HydrophobicContact SD-CD1 3.65Å; M139-F151 HydrophobicContact SD-CE1 4.27Å; M139-F151 HydrophobicContact SD-CG 4.15Å
140	P	84.4	Confident	85.5	Confident	39 Å²	39	56.3 Å²	56.3	25%	0.253	32%	0.318	S	S	.	.			trans	-63	127.4	177.6	-19.5	28.6	0	0	0	112.5	T142 L143	P140-T142 PolarHBondContact O-N 3.4Å; P140-T142 VanDerWaalsContact O-N 3.09Å; P140-L143 HydrophobicContact CB-CD1 4.31Å; P140-L143 HydrophobicContact CB-CG 4.11Å; P140-L143 HydrophobicContact CG-CD1 4.2Å; P140-L143 HydrophobicContact CG-CG 4.45Å; P140-L143 WeakPolarHBondContact O-CG 3.5Å; P140-L143 PolarHBondContact O-N 3.3Å
141	N	79.7	Confident	85.6	Confident	165 Å²	165	56.6 Å²	56.6	88%	0.882	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.6	179.8	-64	-9.5	0	0	0	114	M139 L143	M139-N141 PolarHBondContact O-N 3.04Å; N141-L143 VanDerWaalsContact C-N 3.31Å
142	T	82.2	Confident	85.9	Confident	130 Å²	130	56.4 Å²	56.4	80%	0.798	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	0.5	-178.2	57.2	0	0	0	0	113.6	P140	P140-T142 PolarHBondContact O-N 3.4Å; P140-T142 VanDerWaalsContact O-N 3.09Å
143	L	85.2	Confident	86.2	Confident	56 Å²	56	55.4 Å²	55.4	29%	0.293	31%	0.309	S	S	.	.			trans	-80.5	123.4	-177.9	-64.6	176.6	0	0	0	110.9	M139 P140 N141 R148 F151	M139-L143 HydrophobicContact CG-CD1 3.86Å; M139-L143 HydrophobicContact SD-CD1 4.46Å; P140-L143 HydrophobicContact CB-CD1 4.31Å; P140-L143 HydrophobicContact CB-CG 4.11Å; P140-L143 HydrophobicContact CG-CD1 4.2Å; P140-L143 HydrophobicContact CG-CG 4.45Å; P140-L143 WeakPolarHBondContact O-CG 3.5Å; P140-L143 PolarHBondContact O-N 3.3Å; N141-L143 VanDerWaalsContact C-N 3.31Å; L143-R148 HydrophobicContact CB-CG 3.94Å; L143-F151 HydrophobicContact CD1-CB 4.01Å; L143-F151 HydrophobicContact CD1-CD2 4.29Å; L143-F151 HydrophobicContact CD1-CG 4.29Å
144	G	87.1	Confident	86.4	Confident	51 Å²	51	54.7 Å²	54.7	53%	0.526	31%	0.305	S	S	.	.			trans	-69.4	175.7	163	0	0	0	0	0	112	F146 G147 R148	G144-F146 VanDerWaalsContact C-N 3.34Å; G144-F146 PolarHBondContact O-N 3.3Å; G144-G147 WeakPolarHBondContact O-CA 3.31Å; G144-G147 PolarHBondContact O-N 2.88Å; G144-R148 PolarHBondContact O-N 2.83Å
145	D	86.9	Confident	86.6	Confident	92 Å²	92	54.7 Å²	54.7	49%	0.492	31%	0.306	S	S	.	.	H	α-helix	trans	-51.5	-47	-172.7	-63.5	-17.6	0	0	0	113.7	H131 G147 R148 K149	H131-D145 IonicContact NE2-OD1 2.65Å; D145-G147 VanDerWaalsContact C-N 3.31Å; D145-G147 PolarHBondContact O-N 3.21Å; D145-R148 PolarHBondContact O-N 2.85Å; D145-K149 WeakPolarHBondContact O-CG 3.46Å; D145-K149 PolarHBondContact O-N 3.46Å
146	F	86.6	Confident	86.8	Confident	166 Å²	166	53.3 Å²	53.3	73%	0.728	30%	0.296	S	S	*	.	H	α-helix	trans	-61.2	-40.4	177.3	-179.5	-94	0	0	0	112.4	G144 T150	G144-F146 VanDerWaalsContact C-N 3.34Å; G144-F146 PolarHBondContact O-N 3.3Å; F146-T150 WeakPolarHBondContact O-CB 3.41Å; F146-T150 PolarHBondContact O-N 3.37Å; F146-T150 PolarHBondContact O-OG1 3.29Å
147	G	86.7	Confident	86.6	Confident	21 Å²	21	53.5 Å²	53.5	22%	0.216	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-43.7	177.2	0	0	0	0	0	111.8	G144 D145 T150 F151	G144-G147 WeakPolarHBondContact O-CA 3.31Å; G144-G147 PolarHBondContact O-N 2.88Å; D145-G147 VanDerWaalsContact C-N 3.31Å; D145-G147 PolarHBondContact O-N 3.21Å; G147-T150 PolarHBondContact O-N 3.22Å; G147-F151 WeakPolarHBondContact O-CB 3.48Å; G147-F151 PolarHBondContact O-N 3.37Å
148	R	89.3	Confident	86.1	Confident	54 Å²	54	50.9 Å²	50.9	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-48.1	175.7	-67.7	177.3	61.1	94	3	111.6	H131 M134 M139 L143 G144 D145 T150 F151 I152	H131-R148 PolarHBondContact O-NH2 3.3Å; M134-R148 PolarHBondContact O-NH2 3.41Å; M139-R148 HydrophobicContact CE-CG 4.47Å; M139-R148 HydrophobicContact SD-CB 4.19Å; M139-R148 HydrophobicContact SD-CG 4.01Å; L143-R148 HydrophobicContact CB-CG 3.94Å; G144-R148 PolarHBondContact O-N 2.83Å; D145-R148 PolarHBondContact O-N 2.85Å; R148-T150 VanDerWaalsContact C-N 3.32Å; R148-T150 PolarHBondContact O-N 3.04Å; R148-F151 WeakPolarHBondContact O-CB 3.23Å; R148-F151 PolarHBondContact O-N 3.21Å; R148-I152 WeakPolarHBondContact O-CD1 3.49Å; R148-I152 WeakPolarHBondContact O-CG1 3.42Å; R148-I152 PolarHBondContact O-N 3.13Å
149	K	89.5	Confident	85.6	Confident	60 Å²	60	53 Å²	53	26%	0.261	29%	0.292	S	S	.	.	H	α-helix	trans	-57	-45.5	176.2	-70.2	177.6	-170	-156.2	0	111.7	M128 D145 I152 K153	M128-K149 HydrophobicContact CB-CD 4.16Å; M128-K149 HydrophobicContact CB-CG 4.4Å; M128-K149 WeakPolarHBondContact O-CE 3.24Å; M128-K149 PolarHBondContact O-NZ 3.48Å; M128-K149 HydrophobicContact SD-CB 3.7Å; M128-K149 HydrophobicContact SD-CD 4.39Å; M128-K149 HydrophobicContact SD-CG 3.84Å; D145-K149 WeakPolarHBondContact O-CG 3.46Å; D145-K149 PolarHBondContact O-N 3.46Å; K149-I152 PolarHBondContact O-N 2.92Å; K149-K153 WeakPolarHBondContact O-CG 3.46Å; K149-K153 PolarHBondContact O-N 3.22Å
150	T	86	Confident	85.4	Confident	37 Å²	37	52.9 Å²	52.9	23%	0.227	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-41.9	177.3	-55.5	0	0	0	0	111.6	F146 G147 R148 K153 S154 M609	F146-T150 WeakPolarHBondContact O-CB 3.41Å; F146-T150 PolarHBondContact O-N 3.37Å; F146-T150 PolarHBondContact O-OG1 3.29Å; G147-T150 PolarHBondContact O-N 3.22Å; R148-T150 VanDerWaalsContact C-N 3.32Å; R148-T150 PolarHBondContact O-N 3.04Å; T150-K153 PolarHBondContact O-N 2.92Å; T150-S154 PolarHBondContact O-N 2.87Å; T150-M609 HydrophobicContact CG2-CE 4Å; T150-M609 HydrophobicContact CG2-SD 3.95Å
151	F	88.6	Confident	85.6	Confident	32 Å²	32	56.3 Å²	56.3	14%	0.14	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-48.6	177.4	-175.6	-90.9	0	0	0	111.6	I136 F138 M139 L143 G147 R148 K153 S154 L155	I136-F151 HydrophobicContact CD1-CD1 4.27Å; I136-F151 HydrophobicContact CD1-CE1 4.26Å; I136-F151 HydrophobicContact CG2-CE1 3.96Å; F138-F151 HydrophobicContact CD2-CE1 4.26Å; F138-F151 AromaticContact CD2-CZ 3.67Å; F138-F151 HydrophobicContact CD2-CZ 3.67Å; F138-F151 AromaticContact CE2-CE1 3.96Å; F138-F151 HydrophobicContact CE2-CE1 3.96Å; F138-F151 AromaticContact CE2-CZ 3.7Å; F138-F151 HydrophobicContact CE2-CZ 3.7Å; M139-F151 HydrophobicContact CB-CD1 3.93Å; M139-F151 HydrophobicContact CB-CE1 3.57Å; M139-F151 HydrophobicContact CB-CZ 3.95Å; M139-F151 HydrophobicContact CG-CD1 3.63Å; M139-F151 HydrophobicContact CG-CD2 4.43Å; M139-F151 HydrophobicContact CG-CE1 3.82Å; M139-F151 HydrophobicContact CG-CG 3.95Å; M139-F151 HydrophobicContact CG-CZ 4.29Å; M139-F151 HydrophobicContact SD-CB 4.31Å; M139-F151 HydrophobicContact SD-CD1 3.65Å; M139-F151 HydrophobicContact SD-CE1 4.27Å; M139-F151 HydrophobicContact SD-CG 4.15Å; L143-F151 HydrophobicContact CD1-CB 4.01Å; L143-F151 HydrophobicContact CD1-CD2 4.29Å; L143-F151 HydrophobicContact CD1-CG 4.29Å; G147-F151 WeakPolarHBondContact O-CB 3.48Å; G147-F151 PolarHBondContact O-N 3.37Å; R148-F151 WeakPolarHBondContact O-CB 3.23Å; R148-F151 PolarHBondContact O-N 3.21Å; F151-K153 VanDerWaalsContact C-N 3.33Å; F151-K153 PolarHBondContact O-N 2.83Å; F151-S154 WeakPolarHBondContact O-CA 3.38Å; F151-S154 WeakPolarHBondContact O-CB 3.3Å; F151-S154 PolarHBondContact O-N 2.66Å; F151-S154 PolarHBondContact O-OG 3.02Å; F151-L155 HydrophobicContact CD1-CD2 4.46Å; F151-L155 HydrophobicContact CE1-CD2 3.91Å; F151-L155 HydrophobicContact CE1-CG 4.48Å; F151-L155 HydrophobicContact CZ-CD2 4.31Å; F151-L155 PolarHBondContact O-N 3.28Å
152	I	90.2	Very high	86.2	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-57.2	-45.7	177.6	-68.5	156	0	0	0	111.1	L127 M128 H131 M134 I136 R148 K149 S154 L155	L127-I152 HydrophobicContact CD2-CG2 4.35Å; M128-I152 HydrophobicContact CE-CG2 4.39Å; H131-I152 HydrophobicContact CB-CD1 3.74Å; M134-I152 HydrophobicContact CE-CD1 3.48Å; M134-I152 VanDerWaalsContact CE-CD1 3.48Å; M134-I152 HydrophobicContact CE-CG1 4.13Å; M134-I152 HydrophobicContact CE-CG2 4.2Å; I136-I152 HydrophobicContact CD1-CG1 3.89Å; R148-I152 WeakPolarHBondContact O-CD1 3.49Å; R148-I152 WeakPolarHBondContact O-CG1 3.42Å; R148-I152 PolarHBondContact O-N 3.13Å; K149-I152 PolarHBondContact O-N 2.92Å; I152-S154 VanDerWaalsContact C-N 3.27Å; I152-S154 PolarHBondContact O-N 2.64Å; I152-L155 VanDerWaalsContact O-CB 3.3Å; I152-L155 WeakPolarHBondContact O-CB 3.39Å; I152-L155 WeakPolarHBondContact O-CG 3.38Å; I152-L155 PolarHBondContact O-N 3.19Å
153	K	88.3	Confident	86.6	Confident	76 Å²	76	42.7 Å²	42.7	33%	0.33	23%	0.226	S	C	.	.	H	α-helix	trans	-61.3	-37.8	176.1	-67.3	-173.6	-170.5	-159.6	0	112	E124 M128 K149 T150 F151 L155 F156 L164 Q613	E124-K153 WeakPolarHBondContact OE1-CE 3.49Å; E124-K153 IonicContact OE1-NZ 2.76Å; E124-K153 PolarHBondContact OE1-NZ 2.86Å; M128-K153 HydrophobicContact CE-CD 4.29Å; M128-K153 HydrophobicContact CE-CG 3.71Å; M128-K153 VanDerWaalsContact SD-CE 3.54Å; M128-K153 HydrophobicContact SD-CG 4.4Å; K149-K153 WeakPolarHBondContact O-CG 3.46Å; K149-K153 PolarHBondContact O-N 3.22Å; T150-K153 PolarHBondContact O-N 2.92Å; F151-K153 VanDerWaalsContact C-N 3.33Å; F151-K153 PolarHBondContact O-N 2.83Å; K153-L155 PolarHBondContact O-N 3.23Å; K153-F156 PolarHBondContact O-N 3.25Å; K153-L164 HydrophobicContact CG-CD1 4.42Å; K153-Q613 PolarHBondContact O-NE2 2.89Å
154	S	87	Confident	87	Confident	17 Å²	17	40.7 Å²	40.7	12%	0.119	22%	0.215	C	C	.	.	H	α-helix	trans	-68.3	-10.6	179.8	83.9	0	0	0	0	114.6	T150 F151 I152 F156 S616 R620	T150-S154 PolarHBondContact O-N 2.87Å; F151-S154 WeakPolarHBondContact O-CA 3.38Å; F151-S154 WeakPolarHBondContact O-CB 3.3Å; F151-S154 PolarHBondContact O-N 2.66Å; F151-S154 PolarHBondContact O-OG 3.02Å; I152-S154 VanDerWaalsContact C-N 3.27Å; I152-S154 PolarHBondContact O-N 2.64Å; S154-F156 VanDerWaalsContact C-N 3.25Å; S154-F156 PolarHBondContact O-N 3.06Å; S154-S616 PolarHBondContact O-OG 2.95Å; S154-R620 PolarHBondContact O-NH2 3.41Å
155	L	89.6	Confident	87.3	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-27.5	177	-62.7	173	0	0	0	112.3	I136 F138 F151 I152 K153 V195 R620	I136-L155 HydrophobicContact CD1-CD1 3.89Å; F138-L155 HydrophobicContact CE2-CD2 3.63Å; F138-L155 HydrophobicContact CZ-CD2 3.89Å; F151-L155 HydrophobicContact CD1-CD2 4.46Å; F151-L155 HydrophobicContact CE1-CD2 3.91Å; F151-L155 HydrophobicContact CE1-CG 4.48Å; F151-L155 HydrophobicContact CZ-CD2 4.31Å; F151-L155 PolarHBondContact O-N 3.28Å; I152-L155 VanDerWaalsContact O-CB 3.3Å; I152-L155 WeakPolarHBondContact O-CB 3.39Å; I152-L155 WeakPolarHBondContact O-CG 3.38Å; I152-L155 PolarHBondContact O-N 3.19Å; K153-L155 PolarHBondContact O-N 3.23Å; L155-V195 HydrophobicContact CB-CG1 4.44Å; L155-V195 HydrophobicContact CD1-CG2 4.2Å; L155-V195 HydrophobicContact CD2-CG2 4.43Å; L155-R620 VanDerWaalsContact C-NH2 3.26Å; L155-R620 PolarHBondContact O-NH2 3.33Å
156	F	89.7	Confident	87.6	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.009	18%	0.183	C	C	.	.	S	Bend	trans	-115.4	158.7	-172.7	-50.4	-73	0	0	0	111.3	L60 Y62 K153 S154 V163 L164 L167 V195 Q613 V617	L60-F156 HydrophobicContact CD2-CE1 4.26Å; L60-F156 HydrophobicContact CD2-CZ 3.89Å; Y62-F156 AromaticContact CD1-CD1 3.72Å; Y62-F156 HydrophobicContact CD1-CD1 3.72Å; Y62-F156 AromaticContact CD1-CE1 3.71Å; Y62-F156 HydrophobicContact CD1-CE1 3.71Å; Y62-F156 AromaticContact CD2-CD1 3.74Å; Y62-F156 HydrophobicContact CD2-CD1 3.74Å; Y62-F156 HydrophobicContact CD2-CE1 4.35Å; Y62-F156 AromaticContact CE1-CD1 3.99Å; Y62-F156 HydrophobicContact CE1-CD1 3.99Å; Y62-F156 HydrophobicContact CE1-CE1 4.31Å; Y62-F156 HydrophobicContact CE2-CD1 4Å; Y62-F156 AromaticContact CG-CD1 3.58Å; Y62-F156 HydrophobicContact CG-CD1 3.58Å; Y62-F156 AromaticContact CG-CE1 3.73Å; Y62-F156 HydrophobicContact CG-CE1 3.73Å; K153-F156 PolarHBondContact O-N 3.25Å; S154-F156 VanDerWaalsContact C-N 3.25Å; S154-F156 PolarHBondContact O-N 3.06Å; F156-V163 HydrophobicContact CD1-CG1 3.5Å; F156-V163 HydrophobicContact CE1-CG1 3.75Å; F156-V163 HydrophobicContact CG-CG1 3.92Å; F156-V163 HydrophobicContact CZ-CG1 4.37Å; F156-L164 HydrophobicContact CD2-CD2 3.64Å; F156-L164 HydrophobicContact CE2-CD2 3.94Å; F156-L167 HydrophobicContact CE2-CD2 3.88Å; F156-L167 HydrophobicContact CZ-CD2 3.89Å; F156-V195 HydrophobicContact CE1-CG1 3.99Å; F156-V195 HydrophobicContact CZ-CG1 4.48Å; F156-Q613 PolarHBondContact O-NE2 3.4Å; F156-V617 VanDerWaalsContact C-CG2 3.46Å
157	P	82.7	Confident	87.9	Confident	10 Å²	10	30.4 Å²	30.4	7%	0.065	15%	0.149	C	C	.	.			trans	-57.8	146.8	175.3	-19	28	0	0	0	111.3	Y62 P64 N159 S160 F205 V617	Y62-P157 VanDerWaalsContact CE2-CD 3.47Å; Y62-P157 HydrophobicContact CE2-CG 4.15Å; P64-P157 HydrophobicContact CB-CG 4.28Å; P64-P157 HydrophobicContact CG-CG 3.93Å; P157-N159 PolarHBondContact O-N 2.98Å; P157-S160 VanDerWaalsContact O-CB 3.3Å; P157-S160 WeakPolarHBondContact O-CB 3.43Å; P157-S160 PolarHBondContact O-N 3.48Å; P157-S160 PolarHBondContact O-OG 3.34Å; P157-F205 HydrophobicContact CG-CZ 4.4Å; P157-V617 HydrophobicContact CG-CG1 4.17Å
158	A	75.1	Confident	88.2	Confident	14 Å²	14	29.4 Å²	29.4	12%	0.116	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	143.9	173.9	0	0	0	0	0	110.4	S160	A158-S160 VanDerWaalsContact C-N 3.26Å; A158-S160 PolarHBondContact O-N 2.88Å
159	N	74.3	Confident	88.3	Confident	76 Å²	76	26.8 Å²	26.8	41%	0.406	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	12.6	-177.8	-61.5	-44.2	0	0	0	116.9	P157 K161 D603	P157-N159 PolarHBondContact O-N 2.98Å; N159-K161 VanDerWaalsContact C-N 3.26Å; N159-K161 PolarHBondContact O-N 3.48Å; N159-D603 PolarHBondContact OD1-OD1 3.39Å
160	S	85.4	Confident	88.3	Confident	9 Å²	9	24 Å²	24	6%	0.063	12%	0.117	C	C	.	.			trans	-82.9	65.4	172.9	-52.4	0	0	0	0	111.9	D65 P157 A158 L164	D65-S160 VanDerWaalsContact CG-CA 3.48Å; D65-S160 WeakPolarHBondContact OD1-CA 3.47Å; P157-S160 VanDerWaalsContact O-CB 3.3Å; P157-S160 WeakPolarHBondContact O-CB 3.43Å; P157-S160 PolarHBondContact O-N 3.48Å; P157-S160 PolarHBondContact O-OG 3.34Å; A158-S160 VanDerWaalsContact C-N 3.26Å; A158-S160 PolarHBondContact O-N 2.88Å; S160-L164 PolarHBondContact O-N 2.94Å
161	K	88.4	Confident	88.5	Confident	112 Å²	112	22.2 Å²	22.2	49%	0.487	11%	0.106	S	C	.	.	H	α-helix	trans	-70.6	-33.9	-176.5	-66.8	-177.4	-179.2	179.2	0	111.8	D65 N159 L164 R165	D65-K161 PolarHBondContact OD2-N 3.24Å; N159-K161 VanDerWaalsContact C-N 3.26Å; N159-K161 PolarHBondContact O-N 3.48Å; K161-L164 PolarHBondContact O-N 2.88Å; K161-R165 VanDerWaalsContact O-CG 3.29Å; K161-R165 WeakPolarHBondContact O-CG 3.33Å; K161-R165 PolarHBondContact O-N 3.34Å
162	L	90.8	Very high	88.5	Confident	9 Å²	9	22.6 Å²	22.6	5%	0.047	11%	0.107	C	C	.	.	H	α-helix	trans	-70.4	-35.8	179	-56.2	179.4	0	0	0	111.4	C42 A44 K47 D65 L164 R165 A166	C42-L162 HydrophobicContact CB-CB 4.32Å; A44-L162 HydrophobicContact CB-CD2 3.83Å; K47-L162 HydrophobicContact CB-CD1 3.59Å; K47-L162 WeakPolarHBondContact O-CD1 3.4Å; D65-L162 WeakPolarHBondContact OD1-CA 3.23Å; D65-L162 WeakPolarHBondContact OD1-CB 3.34Å; D65-L162 PolarHBondContact OD1-N 3.12Å; D65-L162 VanDerWaalsContact OD1-N 3.08Å; D65-L162 WeakPolarHBondContact OD2-CG 3.24Å; D65-L162 PolarHBondContact OD2-N 2.86Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-L164 PolarHBondContact O-N 2.92Å; L162-R165 PolarHBondContact O-N 3.45Å; L162-A166 WeakPolarHBondContact O-CB 3.45Å; L162-A166 PolarHBondContact O-N 3.29Å
163	V	91.9	Very high	88.2	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-45	171.1	177.2	0	0	0	0	111.5	V51 Y62 M63 D65 F156 R165 A166 L167	V51-V163 HydrophobicContact CG2-CG1 3.8Å; V51-V163 WeakPolarHBondContact CG2-O 3.28Å; Y62-V163 HydrophobicContact CD2-CG1 4.22Å; Y62-V163 HydrophobicContact CD2-CG2 4.47Å; Y62-V163 HydrophobicContact CG-CG1 4.32Å; M63-V163 WeakPolarHBondContact O-CG2 3.32Å; D65-V163 PolarHBondContact OD1-N 2.63Å; F156-V163 HydrophobicContact CD1-CG1 3.5Å; F156-V163 HydrophobicContact CE1-CG1 3.75Å; F156-V163 HydrophobicContact CG-CG1 3.92Å; F156-V163 HydrophobicContact CZ-CG1 4.37Å; V163-R165 VanDerWaalsContact C-N 3.32Å; V163-R165 PolarHBondContact O-N 3.43Å; V163-A166 PolarHBondContact O-N 3.41Å; V163-L167 WeakPolarHBondContact O-CB 3.33Å; V163-L167 PolarHBondContact O-N 3.15Å
164	L	92.7	Very high	88	Confident	13 Å²	13	21.3 Å²	21.3	7%	0.068	10%	0.102	C	C	.	.	H	α-helix	trans	-63.3	-38	176.9	-66.9	175	0	0	0	112.1	E124 L127 K153 F156 S160 K161 L162 L167 S168	E124-L164 HydrophobicContact CG-CD1 4.17Å; L127-L164 HydrophobicContact CD2-CB 4.19Å; L127-L164 HydrophobicContact CD2-CD2 3.9Å; K153-L164 HydrophobicContact CG-CD1 4.42Å; F156-L164 HydrophobicContact CD2-CD2 3.64Å; F156-L164 HydrophobicContact CE2-CD2 3.94Å; S160-L164 PolarHBondContact O-N 2.94Å; K161-L164 PolarHBondContact O-N 2.88Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-L164 PolarHBondContact O-N 2.92Å; L164-L167 PolarHBondContact O-N 3.11Å; L164-S168 WeakPolarHBondContact O-CB 3.48Å; L164-S168 PolarHBondContact O-N 3.18Å
165	R	93.6	Very high	87.7	Confident	91 Å²	91	21 Å²	21	34%	0.343	10%	0.099	S	C	.	.	H	α-helix	trans	-70.7	-34.5	174.8	-67.4	174.6	-176.5	-178.6	-4.3	112.9	C42 Y122 K161 L162 V163 S168 G169	C42-R165 HydrophobicContact CB-CB 4.31Å; Y122-R165 HydrophobicContact CD1-CB 4.45Å; Y122-R165 WeakPolarHBondContact CD1-O 3.41Å; Y122-R165 WeakPolarHBondContact O-CB 3.4Å; Y122-R165 WeakPolarHBondContact O-CD 3.24Å; Y122-R165 VanDerWaalsContact O-CG 3.24Å; Y122-R165 WeakPolarHBondContact O-CG 3.25Å; K161-R165 VanDerWaalsContact O-CG 3.29Å; K161-R165 WeakPolarHBondContact O-CG 3.33Å; K161-R165 PolarHBondContact O-N 3.34Å; L162-R165 PolarHBondContact O-N 3.45Å; V163-R165 VanDerWaalsContact C-N 3.32Å; V163-R165 PolarHBondContact O-N 3.43Å; R165-S168 WeakPolarHBondContact CA-OG 3.46Å; R165-S168 PolarHBondContact O-N 2.89Å; R165-S168 PolarHBondContact O-OG 2.85Å; R165-G169 PolarHBondContact O-N 3.13Å; R165-G169 VanDerWaalsContact O-N 3.08Å
166	A	92.3	Very high	87	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.1	-44.3	172.8	0	0	0	0	0	110.2	S40 C42 V51 L162 V163 S168 G169 L170	S40-A166 WeakPolarHBondContact CB-O 3.23Å; S40-A166 VanDerWaalsContact OG-C 3.32Å; S40-A166 WeakPolarHBondContact OG-CA 3.3Å; S40-A166 PolarHBondContact OG-O 3.06Å; C42-A166 HydrophobicContact CB-CB 4.14Å; V51-A166 HydrophobicContact CB-CB 4.22Å; V51-A166 HydrophobicContact CG2-CB 3.88Å; L162-A166 WeakPolarHBondContact O-CB 3.45Å; L162-A166 PolarHBondContact O-N 3.29Å; V163-A166 PolarHBondContact O-N 3.41Å; A166-S168 VanDerWaalsContact C-N 3.26Å; A166-S168 PolarHBondContact O-N 2.83Å; A166-G169 PolarHBondContact O-N 2.94Å; A166-L170 PolarHBondContact O-N 2.78Å
167	L	93.9	Very high	85.7	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-59.1	-39	174.1	-177.5	60.6	0	0	0	111.8	V51 L60 L127 M134 F156 V163 L164 L170 L171 L190	V51-L167 HydrophobicContact CG1-CD1 4.2Å; V51-L167 HydrophobicContact CG2-CB 4.19Å; L60-L167 HydrophobicContact CD1-CD1 4.1Å; L60-L167 HydrophobicContact CD2-CD1 3.91Å; L127-L167 HydrophobicContact CD1-CB 4.5Å; L127-L167 HydrophobicContact CD1-CD2 3.99Å; L127-L167 HydrophobicContact CD1-CG 3.87Å; L127-L167 HydrophobicContact CD2-CB 4.42Å; L127-L167 HydrophobicContact CD2-CD2 3.97Å; L127-L167 HydrophobicContact CD2-CG 4.35Å; M134-L167 HydrophobicContact SD-CD2 4.34Å; F156-L167 HydrophobicContact CE2-CD2 3.88Å; F156-L167 HydrophobicContact CZ-CD2 3.89Å; V163-L167 WeakPolarHBondContact O-CB 3.33Å; V163-L167 PolarHBondContact O-N 3.15Å; L164-L167 PolarHBondContact O-N 3.11Å; L167-L170 HydrophobicContact CD1-CD2 4.26Å; L167-L170 WeakPolarHBondContact O-CB 3.18Å; L167-L170 PolarHBondContact O-N 3.01Å; L167-L171 WeakPolarHBondContact O-CB 3.43Å; L167-L171 PolarHBondContact O-N 3.11Å; L167-L190 HydrophobicContact CD1-CD2 4.23Å
168	S	93.1	Very high	84.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.4	-40.7	177.4	80	0	0	0	0	112.3	Y121 Y122 S123 L164 R165 A166 L171 Y172	Y121-S168 CarbonylContact O-C 3.38Å; Y121-S168 VanDerWaalsContact O-CB 3.28Å; Y121-S168 WeakPolarHBondContact O-CB 3.33Å; Y121-S168 PolarHBondContact O-OG 2.86Å; Y122-S168 WeakPolarHBondContact CA-OG 3.23Å; S123-S168 PolarHBondContact N-OG 3.37Å; S123-S168 VanDerWaalsContact N-OG 3.14Å; S123-S168 WeakPolarHBondContact O-CB 3.22Å; S123-S168 PolarHBondContact O-OG 3.25Å; L164-S168 WeakPolarHBondContact O-CB 3.48Å; L164-S168 PolarHBondContact O-N 3.18Å; R165-S168 WeakPolarHBondContact CA-OG 3.46Å; R165-S168 PolarHBondContact O-N 2.89Å; R165-S168 PolarHBondContact O-OG 2.85Å; A166-S168 VanDerWaalsContact C-N 3.26Å; A166-S168 PolarHBondContact O-N 2.83Å; S168-L171 PolarHBondContact O-N 2.93Å; S168-Y172 PolarHBondContact O-N 3.35Å
169	G	90.6	Very high	83.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-41.4	172.6	0	0	0	0	0	113.1	I117 Y122 R165 A166 R173	I117-G169 VanDerWaalsContact CD1-O 3.24Å; I117-G169 WeakPolarHBondContact CD1-O 3.45Å; Y122-G169 VanDerWaalsContact CE2-CA 3.5Å; R165-G169 PolarHBondContact O-N 3.13Å; R165-G169 VanDerWaalsContact O-N 3.08Å; A166-G169 PolarHBondContact O-N 2.94Å; G169-R173 PolarHBondContact O-N 3.07Å; G169-R173 VanDerWaalsContact O-N 3.15Å
170	L	90.5	Very high	81.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-48.6	173.9	175.3	69.7	0	0	0	111.3	Y38 V51 W53 L60 L88 A166 L167 Y172 R173 L174	Y38-L170 HydrophobicContact CG-CD1 4.22Å; V51-L170 HydrophobicContact CG1-CD2 4.04Å; W53-L170 HydrophobicContact CB-CD1 3.99Å; W53-L170 HydrophobicContact CB-CD2 3.49Å; W53-L170 VanDerWaalsContact CB-CD2 3.49Å; W53-L170 HydrophobicContact CB-CG 4.38Å; W53-L170 HydrophobicContact CG-CD1 4.46Å; W53-L170 HydrophobicContact CG-CD2 4Å; L60-L170 HydrophobicContact CD1-CD2 3.98Å; L88-L170 HydrophobicContact CD1-CB 4.42Å; L88-L170 HydrophobicContact CD1-CD1 3.96Å; A166-L170 PolarHBondContact O-N 2.78Å; L167-L170 HydrophobicContact CD1-CD2 4.26Å; L167-L170 WeakPolarHBondContact O-CB 3.18Å; L167-L170 PolarHBondContact O-N 3.01Å; L170-Y172 VanDerWaalsContact C-N 3.31Å; L170-Y172 PolarHBondContact O-N 3.31Å; L170-R173 PolarHBondContact O-N 2.88Å; L170-R173 VanDerWaalsContact O-N 3.14Å; L170-L174 HydrophobicContact CD1-CD1 4.22Å; L170-L174 HydrophobicContact CD1-CG 4.34Å; L170-L174 HydrophobicContact CG-CD1 4.12Å; L170-L174 WeakPolarHBondContact O-CG 3.46Å; L170-L174 PolarHBondContact O-N 3.43Å
171	L	89.9	Confident	79.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-45.7	-179.4	-173.4	65.9	0	0	0	111	L127 V133 M134 L167 S168 R173 L174 T175 L190	L127-L171 HydrophobicContact CD1-CD2 3.99Å; V133-L171 HydrophobicContact CB-CD1 4.19Å; V133-L171 HydrophobicContact CG1-CD1 3.94Å; M134-L171 HydrophobicContact CE-CD2 4.49Å; M134-L171 HydrophobicContact CG-CD1 3.78Å; M134-L171 HydrophobicContact CG-CD2 4.38Å; L167-L171 WeakPolarHBondContact O-CB 3.43Å; L167-L171 PolarHBondContact O-N 3.11Å; S168-L171 PolarHBondContact O-N 2.93Å; L171-R173 VanDerWaalsContact C-N 3.35Å; L171-R173 PolarHBondContact O-N 2.93Å; L171-L174 PolarHBondContact O-N 3.24Å; L171-T175 WeakPolarHBondContact O-CG2 3.23Å; L171-T175 PolarHBondContact O-N 2.94Å; L171-T175 PolarHBondContact O-OG1 3.41Å; L171-T175 VanDerWaalsContact O-OG1 3.12Å; L171-L190 HydrophobicContact CD1-CB 4.14Å; L171-L190 HydrophobicContact CD1-CD2 4.15Å
172	Y	87.9	Confident	77.7	Confident	40 Å²	40	48 Å²	48	16%	0.157	24%	0.236	C	C	.	.	H	α-helix	trans	-56.1	-47.9	175.2	173.8	-103.9	0	0	0	112	I117 Y121 F126 S168 L170 L174 T175 R176	I117-Y172 HydrophobicContact CD1-CD1 4.46Å; I117-Y172 HydrophobicContact CG2-CD1 3.64Å; I117-Y172 HydrophobicContact CG2-CE1 4.07Å; Y121-Y172 AromaticContact CD1-CD2 3.42Å; Y121-Y172 HydrophobicContact CD1-CD2 3.42Å; Y121-Y172 VanDerWaalsContact CD1-CD2 3.42Å; Y121-Y172 AromaticContact CD1-CE2 3.83Å; Y121-Y172 HydrophobicContact CD1-CE2 3.83Å; Y121-Y172 AromaticContact CD1-CG 3.95Å; Y121-Y172 HydrophobicContact CD1-CG 3.95Å; Y121-Y172 HydrophobicContact CD2-CD1 4.01Å; Y121-Y172 AromaticContact CD2-CD2 3.82Å; Y121-Y172 HydrophobicContact CD2-CD2 3.82Å; Y121-Y172 AromaticContact CD2-CE1 3.86Å; Y121-Y172 HydrophobicContact CD2-CE1 3.86Å; Y121-Y172 AromaticContact CD2-CE2 3.69Å; Y121-Y172 HydrophobicContact CD2-CE2 3.69Å; Y121-Y172 AromaticContact CD2-CG 3.97Å; Y121-Y172 HydrophobicContact CD2-CG 3.97Å; Y121-Y172 AromaticContact CD2-CZ 3.7Å; Y121-Y172 AromaticContact CE1-CD2 3.6Å; Y121-Y172 HydrophobicContact CE1-CD2 3.6Å; Y121-Y172 AromaticContact CE1-CE2 3.57Å; Y121-Y172 HydrophobicContact CE1-CE2 3.57Å; Y121-Y172 AromaticContact CE2-CD2 3.99Å; Y121-Y172 HydrophobicContact CE2-CD2 3.99Å; Y121-Y172 HydrophobicContact CE2-CE1 4.11Å; Y121-Y172 AromaticContact CE2-CE2 3.42Å; Y121-Y172 HydrophobicContact CE2-CE2 3.42Å; Y121-Y172 VanDerWaalsContact CE2-CE2 3.42Å; Y121-Y172 AromaticContact CE2-CZ 3.48Å; Y121-Y172 VanDerWaalsContact CE2-CZ 3.48Å; Y121-Y172 HydrophobicContact CG-CD1 4.1Å; Y121-Y172 AromaticContact CG-CD2 3.54Å; Y121-Y172 HydrophobicContact CG-CD2 3.54Å; Y121-Y172 HydrophobicContact CG-CE1 4.39Å; Y121-Y172 AromaticContact CG-CE2 3.89Å; Y121-Y172 HydrophobicContact CG-CE2 3.89Å; Y121-Y172 AromaticContact CG-CG 3.65Å; Y121-Y172 HydrophobicContact CG-CG 3.65Å; Y121-Y172 AromaticContact CZ-CD2 3.87Å; Y121-Y172 AromaticContact CZ-CE2 3.34Å; Y121-Y172 AromaticContact CZ-CZ 3.89Å; F126-Y172 HydrophobicContact CE1-CD2 4.47Å; F126-Y172 HydrophobicContact CZ-CD2 4.06Å; S168-Y172 PolarHBondContact O-N 3.35Å; L170-Y172 VanDerWaalsContact C-N 3.31Å; L170-Y172 PolarHBondContact O-N 3.31Å; Y172-L174 VanDerWaalsContact C-N 3.29Å; Y172-L174 PolarHBondContact O-N 3.16Å; Y172-T175 VanDerWaalsContact CA-OG1 3.28Å; Y172-T175 WeakPolarHBondContact CA-OG1 3.49Å; Y172-T175 PolarHBondContact O-N 3.27Å; Y172-T175 VanDerWaalsContact O-N 3.16Å; Y172-T175 PolarHBondContact O-OG1 2.9Å; Y172-R176 WeakPolarHBondContact O-CB 3.43Å; Y172-R176 PolarHBondContact O-N 3.15Å
173	R	85.1	Confident	75.3	Confident	21 Å²	21	54.2 Å²	54.2	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-39	-179.7	175.6	57.5	-177.7	83.5	-0.1	112.8	L88 E115 I117 G169 L170 L171 N177	L88-R173 HydrophobicContact CD1-CB 3.71Å; L88-R173 HydrophobicContact CD1-CG 3.95Å; L88-R173 HydrophobicContact CD2-CB 4.28Å; L88-R173 HydrophobicContact CD2-CG 3.81Å; E115-R173 IonicContact OE1-CZ 3.77Å; E115-R173 IonicContact OE1-NE 3.96Å; E115-R173 PolarHBondContact OE1-NE 3.27Å; E115-R173 IonicContact OE1-NH2 3.35Å; E115-R173 PolarHBondContact OE1-NH2 3.14Å; E115-R173 VanDerWaalsContact OE2-CD 3.25Å; E115-R173 WeakPolarHBondContact OE2-CD 3.31Å; E115-R173 IonicContact OE2-CZ 3.96Å; E115-R173 IonicContact OE2-NE 3.41Å; E115-R173 PolarHBondContact OE2-NE 2.87Å; E115-R173 IonicContact OE2-NH2 2.85Å; I117-R173 HydrophobicContact CD1-CB 3.93Å; G169-R173 PolarHBondContact O-N 3.07Å; G169-R173 VanDerWaalsContact O-N 3.15Å; L170-R173 PolarHBondContact O-N 2.88Å; L170-R173 VanDerWaalsContact O-N 3.14Å; L171-R173 VanDerWaalsContact C-N 3.35Å; L171-R173 PolarHBondContact O-N 2.93Å; R173-N177 PolarHBondContact NH1-ND2 3.26Å
174	L	83.4	Confident	72.9	Confident	30 Å²	30	56.3 Å²	56.3	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-71.8	-34.8	178	-64.4	176.4	0	0	0	111.4	Y38 L170 L171 Y172 I189 L190	Y38-L174 HydrophobicContact CE2-CD2 4.36Å; L170-L174 HydrophobicContact CD1-CD1 4.22Å; L170-L174 HydrophobicContact CD1-CG 4.34Å; L170-L174 HydrophobicContact CG-CD1 4.12Å; L170-L174 WeakPolarHBondContact O-CG 3.46Å; L170-L174 PolarHBondContact O-N 3.43Å; L171-L174 PolarHBondContact O-N 3.24Å; Y172-L174 VanDerWaalsContact C-N 3.29Å; Y172-L174 PolarHBondContact O-N 3.16Å; L174-I189 HydrophobicContact CB-CG2 3.9Å; L174-I189 WeakPolarHBondContact O-CG2 3.42Å; L174-L190 HydrophobicContact CD1-CB 4.21Å; L174-L190 HydrophobicContact CD1-CD1 3.71Å; L174-L190 HydrophobicContact CD1-CG 4.36Å
175	T	80.5	Confident	70.7	Confident	10 Å²	10	61.9 Å²	61.9	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-75.2	-24.5	175.3	54.7	0	0	0	0	114.1	V133 L171 Y172 N177 A178 I189	V133-T175 HydrophobicContact CG1-CG2 3.81Å; V133-T175 HydrophobicContact CG2-CG2 4.45Å; L171-T175 WeakPolarHBondContact O-CG2 3.23Å; L171-T175 PolarHBondContact O-N 2.94Å; L171-T175 PolarHBondContact O-OG1 3.41Å; L171-T175 VanDerWaalsContact O-OG1 3.12Å; Y172-T175 VanDerWaalsContact CA-OG1 3.28Å; Y172-T175 WeakPolarHBondContact CA-OG1 3.49Å; Y172-T175 PolarHBondContact O-N 3.27Å; Y172-T175 VanDerWaalsContact O-N 3.16Å; Y172-T175 PolarHBondContact O-OG1 2.9Å; T175-N177 VanDerWaalsContact C-N 3.3Å; T175-N177 PolarHBondContact O-N 3.19Å; T175-A178 PolarHBondContact O-N 3.17Å; T175-A178 VanDerWaalsContact O-N 3.11Å; T175-I189 HydrophobicContact CG2-CD1 3.97Å
176	R	74.9	Confident	68.4	Low	100 Å²	100	65.2 Å²	65.2	38%	0.377	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-32	-172.4	-168.6	179.7	72.2	-171.2	-6.9	113.8	E115 Y172 A178	E115-R176 IonicContact OE2-CZ 3.42Å; E115-R176 IonicContact OE2-NH1 3.23Å; E115-R176 IonicContact OE2-NH2 3.46Å; E115-R176 PolarHBondContact OE2-NH2 3.46Å; Y172-R176 WeakPolarHBondContact O-CB 3.43Å; Y172-R176 PolarHBondContact O-N 3.15Å; R176-A178 VanDerWaalsContact C-N 3.35Å
177	N	61.8	Low	66.6	Low	107 Å²	107	72 Å²	72	57%	0.572	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.2	-179.9	-68.6	5.1	0	0	0	112.9	R173 T175 D179	R173-N177 PolarHBondContact NH1-ND2 3.26Å; T175-N177 VanDerWaalsContact C-N 3.3Å; T175-N177 PolarHBondContact O-N 3.19Å; N177-D179 PolarHBondContact O-N 3.07Å
178	A	56.6	Low	65	Low	31 Å²	31	75.8 Å²	75.8	26%	0.256	39%	0.387	S	S	.	.	S	Bend	trans	-87.4	83.6	170.8	0	0	0	0	0	107.3	T175 R176 D180 I189	T175-A178 PolarHBondContact O-N 3.17Å; T175-A178 VanDerWaalsContact O-N 3.11Å; R176-A178 VanDerWaalsContact C-N 3.35Å; A178-D180 PolarHBondContact O-N 2.84Å; A178-I189 HydrophobicContact CB-CD1 4.13Å
179	D	47.6	Very low	64	Low	153 Å²	153	78.4 Å²	78.4	82%	0.818	40%	0.4	S	S	*	.	S	Bend	trans	-60.1	10.6	-172.4	-83.5	-34.2	0	0	0	116.1	N177	N177-D179 PolarHBondContact O-N 3.07Å
180	D	44	Very low	63.6	Low	93 Å²	93	78.4 Å²	78.4	50%	0.497	40%	0.4	S	S	.	.			trans	-139.5	85.7	169.1	-81.4	-48.7	0	0	0	111.1	A178 H182 L183 T184	A178-D180 PolarHBondContact O-N 2.84Å; D180-H182 PolarHBondContact O-N 3.08Å; D180-L183 HydrophobicContact CB-CB 3.93Å; D180-L183 HydrophobicContact CB-CD1 4.28Å; D180-L183 PolarHBondContact O-N 2.87Å; D180-L183 VanDerWaalsContact O-N 3.1Å; D180-T184 PolarHBondContact O-N 2.83Å; D180-T184 PolarHBondContact O-OG1 3.12Å
181	L	45.5	Very low	63.2	Low	130 Å²	130	81.2 Å²	81.2	68%	0.681	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.3	171.5	-147.5	85.2	0	0	0	112.2
182	H	45.9	Very low	63.1	Low	178 Å²	178	81.2 Å²	81.2	82%	0.824	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-19.2	177.4	-77.9	-67.6	0	0	0	114.8	D180	D180-H182 PolarHBondContact O-N 3.08Å
183	L	40.5	Very low	63.1	Low	140 Å²	140	82 Å²	82	73%	0.733	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-2.9	-174.2	-75.8	157.3	0	0	0	114.9	D180	D180-L183 HydrophobicContact CB-CB 3.93Å; D180-L183 HydrophobicContact CB-CD1 4.28Å; D180-L183 PolarHBondContact O-N 2.87Å; D180-L183 VanDerWaalsContact O-N 3.1Å
184	T	40.9	Very low	63.2	Low	44 Å²	44	82.5 Å²	82.5	27%	0.27	43%	0.428	S	S	.	.			trans	-114.4	27.7	-176.4	49.8	0	0	0	0	115	D180 N186 Q187	D180-T184 PolarHBondContact O-N 2.83Å; D180-T184 PolarHBondContact O-OG1 3.12Å; T184-N186 PolarHBondContact O-N 3.19Å; T184-Q187 PolarHBondContact O-N 3.29Å
185	L	45.7	Very low	63.5	Low	129 Å²	129	81 Å²	81	68%	0.675	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-9	170.8	-79.2	163.1	0	0	0	114.4
186	N	46.3	Very low	63.8	Low	161 Å²	161	82.2 Å²	82.2	86%	0.861	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-3.1	-178.3	-75.3	-15.5	0	0	0	115.3	T184	T184-N186 PolarHBondContact O-N 3.19Å
187	Q	53.1	Low	64.3	Low	143 Å²	143	78.1 Å²	78.1	67%	0.668	41%	0.411	S	S	*	.	S	Bend	trans	-111.8	120	175.3	-72.7	-174.8	-7.5	0	0	109.8	T184 I189	T184-Q187 PolarHBondContact O-N 3.29Å; Q187-I189 PolarHBondContact O-N 3.29Å
188	N	61.5	Low	65.1	Low	82 Å²	82	74.1 Å²	74.1	44%	0.439	39%	0.39	S	S	.	.			trans	-68.1	118.1	174	-61.4	-36.4	0	0	0	108.8	S135 D191	S135-N188 VanDerWaalsContact CB-CG 3.48Å; S135-N188 VanDerWaalsContact CB-ND2 3.32Å; S135-N188 WeakPolarHBondContact CB-ND2 3.31Å; S135-N188 PolarHBondContact OG-ND2 3.13Å; N188-D191 WeakPolarHBondContact CB-OD1 3.31Å
189	I	72.6	Confident	65.7	Low	54 Å²	54	76.7 Å²	76.7	28%	0.277	40%	0.396	S	S	.	.	S	Bend	trans	-88.9	-30.6	-176.5	-54.8	175	0	0	0	110.3	V133 L174 T175 A178 Q187	V133-I189 HydrophobicContact CG1-CB 3.51Å; V133-I189 HydrophobicContact CG1-CD1 3.74Å; V133-I189 HydrophobicContact CG1-CG1 3.74Å; V133-I189 PolarHBondContact O-N 3.35Å; L174-I189 HydrophobicContact CB-CG2 3.9Å; L174-I189 WeakPolarHBondContact O-CG2 3.42Å; T175-I189 HydrophobicContact CG2-CD1 3.97Å; A178-I189 HydrophobicContact CB-CD1 4.13Å; Q187-I189 PolarHBondContact O-N 3.29Å
190	L	80.9	Confident	66.7	Low	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	95.9	175.1	-179.6	58.8	0	0	0	109.7	W53 V133 M134 S135 L167 L171 L174 I192	W53-L190 HydrophobicContact CD2-CD1 3.72Å; W53-L190 VanDerWaalsContact CE2-CD1 3.47Å; W53-L190 HydrophobicContact CE3-CD1 4.07Å; W53-L190 HydrophobicContact CG-CD1 4.28Å; W53-L190 HydrophobicContact CH2-CD1 3.99Å; W53-L190 HydrophobicContact CZ2-CD1 3.65Å; W53-L190 HydrophobicContact CZ3-CD1 4.19Å; V133-L190 PolarHBondContact O-N 2.92Å; M134-L190 WeakPolarHBondContact CA-O 3.45Å; M134-L190 HydrophobicContact CG-CB 4.28Å; M134-L190 HydrophobicContact CG-CD2 3.99Å; M134-L190 HydrophobicContact CG-CG 4.43Å; M134-L190 HydrophobicContact SD-CD2 4.1Å; S135-L190 PolarHBondContact N-O 2.68Å; L167-L190 HydrophobicContact CD1-CD2 4.23Å; L171-L190 HydrophobicContact CD1-CB 4.14Å; L171-L190 HydrophobicContact CD1-CD2 4.15Å; L174-L190 HydrophobicContact CD1-CB 4.21Å; L174-L190 HydrophobicContact CD1-CD1 3.71Å; L174-L190 HydrophobicContact CD1-CG 4.36Å; L190-I192 HydrophobicContact CD1-CG1 4.2Å; L190-I192 HydrophobicContact CD2-CD1 4.06Å; L190-I192 HydrophobicContact CD2-CG1 4.4Å; L190-I192 HydrophobicContact CG-CD1 4.1Å; L190-I192 HydrophobicContact CG-CG1 3.91Å
191	D	83.5	Confident	67.8	Low	59 Å²	59	73.8 Å²	73.8	32%	0.316	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	103.2	176.6	-78.7	-30.3	0	0	0	110.9	W53 H58 S135 N188	W53-D191 WeakPolarHBondContact CH2-O 3.26Å; H58-D191 VanDerWaalsContact CB-O 3.28Å; H58-D191 WeakPolarHBondContact CB-O 3.47Å; H58-D191 PolarHBondContact ND1-O 3.31Å; S135-D191 WeakPolarHBondContact CB-OD1 3.05Å; S135-D191 CarbonylContact O-C 3.59Å; N188-D191 WeakPolarHBondContact CB-OD1 3.31Å
192	I	87	Confident	69.4	Low	1 Å²	1	72.5 Å²	72.5	1%	0.005	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.2	-179.1	-57.7	168.7	0	0	0	110.1	W53 L60 S135 I136 S137 L190 D194 V195	W53-I192 HydrophobicContact CH2-CG1 4.33Å; W53-I192 HydrophobicContact CZ3-CG1 4.08Å; L60-I192 HydrophobicContact CB-CG2 4.08Å; L60-I192 HydrophobicContact CD2-CD1 4.13Å; S135-I192 PolarHBondContact O-N 3.37Å; I136-I192 WeakPolarHBondContact CA-O 3.19Å; I136-I192 HydrophobicContact CG1-CB 4.14Å; I136-I192 HydrophobicContact CG1-CD1 4.08Å; S137-I192 PolarHBondContact N-O 3.32Å; S137-I192 PolarHBondContact OG-O 3.06Å; L190-I192 HydrophobicContact CD1-CG1 4.2Å; L190-I192 HydrophobicContact CD2-CD1 4.06Å; L190-I192 HydrophobicContact CD2-CG1 4.4Å; L190-I192 HydrophobicContact CG-CD1 4.1Å; L190-I192 HydrophobicContact CG-CG1 3.91Å; I192-D194 WeakPolarHBondContact CG2-O 3.39Å; I192-V195 HydrophobicContact CG2-CG2 3.62Å
193	V	87.8	Confident	71.2	Confident	56 Å²	56	65.5 Å²	65.5	34%	0.339	33%	0.331	S	S	.	.	S	Bend	trans	-81.7	-38	174.3	170.5	0	0	0	0	111.4	H58 F138	H58-V193 HydrophobicContact CB-CB 3.96Å; H58-V193 HydrophobicContact CB-CG2 3.5Å; H58-V193 PolarHBondContact O-N 2.91Å; F138-V193 WeakPolarHBondContact CD1-O 3.23Å; F138-V193 WeakPolarHBondContact CE1-O 3.4Å
194	D	86.8	Confident	73.5	Confident	31 Å²	31	59 Å²	59	17%	0.166	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	155.4	-178.4	-165.8	16.4	0	0	0	111.6	I59 L60 I192 Q196	I59-D194 HydrophobicContact CG1-CB 4.34Å; L60-D194 PolarHBondContact N-O 3.4Å; I192-D194 WeakPolarHBondContact CG2-O 3.39Å; D194-Q196 PolarHBondContact OD2-NE2 2.97Å
195	V	89.5	Confident	75.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.6	177.4	-177.8	0	0	0	0	109.7	L60 Y62 F138 L155 F156 I192	L60-V195 HydrophobicContact CB-CG2 4.23Å; L60-V195 HydrophobicContact CD2-CG1 4.43Å; L60-V195 HydrophobicContact CD2-CG2 4.31Å; L60-V195 CarbonylContact O-C 3.54Å; L60-V195 VanDerWaalsContact O-CA 3.28Å; L60-V195 WeakPolarHBondContact O-CA 3.38Å; Y62-V195 HydrophobicContact CD1-CG1 3.71Å; Y62-V195 HydrophobicContact CE1-CG1 3.76Å; F138-V195 HydrophobicContact CZ-CG2 3.99Å; L155-V195 HydrophobicContact CB-CG1 4.44Å; L155-V195 HydrophobicContact CD1-CG2 4.2Å; L155-V195 HydrophobicContact CD2-CG2 4.43Å; F156-V195 HydrophobicContact CE1-CG1 3.99Å; F156-V195 HydrophobicContact CZ-CG1 4.48Å; I192-V195 HydrophobicContact CG2-CG2 3.62Å
196	Q	86.4	Confident	77.8	Confident	34 Å²	34	53 Å²	53	16%	0.159	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.4	-173.3	-69.6	171.5	8.8	0	0	111.6	I59 L60 Q61 Y62 D194 L198	I59-Q196 HydrophobicContact CG2-CB 4.44Å; I59-Q196 HydrophobicContact CG2-CG 4.19Å; L60-Q196 PolarHBondContact O-N 3.35Å; Q61-Q196 CarbonylContact C-O 3.48Å; Q61-Q196 VanDerWaalsContact CA-O 3.24Å; Q61-Q196 WeakPolarHBondContact CA-O 3.31Å; Q61-Q196 HydrophobicContact CG-CB 4.26Å; Y62-Q196 WeakPolarHBondContact CD1-O 3.37Å; Y62-Q196 WeakPolarHBondContact CE1-O 3.46Å; Y62-Q196 PolarHBondContact N-O 3.46Å; D194-Q196 PolarHBondContact OD2-NE2 2.97Å; Q196-L198 PolarHBondContact O-N 3.37Å
197	L	85.4	Confident	79.5	Confident	14 Å²	14	46.1 Å²	46.1	7%	0.073	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	126.6	168.3	-179.1	68.5	0	0	0	109	Y62 P64 Q199 F205 N621	Y62-L197 HydrophobicContact CD2-CD1 4.38Å; Y62-L197 HydrophobicContact CE2-CD1 3.85Å; P64-L197 HydrophobicContact CG-CD1 3.56Å; L197-Q199 VanDerWaalsContact C-N 3.26Å; L197-Q199 HydrophobicContact CD2-CG 3.86Å; L197-Q199 HydrophobicContact CG-CG 4.2Å; L197-Q199 PolarHBondContact O-N 2.89Å; L197-F205 HydrophobicContact CD1-CD2 4.39Å; L197-F205 HydrophobicContact CD1-CE2 4.2Å; L197-F205 HydrophobicContact CD2-CB 3.95Å; L197-F205 HydrophobicContact CD2-CD1 3.83Å; L197-F205 HydrophobicContact CD2-CD2 3.64Å; L197-F205 HydrophobicContact CD2-CE1 4.25Å; L197-F205 HydrophobicContact CD2-CE2 4.11Å; L197-F205 HydrophobicContact CD2-CG 3.49Å; L197-F205 VanDerWaalsContact CD2-CG 3.49Å; L197-F205 HydrophobicContact CD2-CZ 4.37Å; L197-N621 HydrophobicContact CB-CB 4.33Å; L197-N621 WeakPolarHBondContact CB-OD1 3.43Å; L197-N621 PolarHBondContact N-OD1 3.02Å
198	L	80.4	Confident	80.7	Confident	24 Å²	24	42.6 Å²	42.6	13%	0.126	21%	0.209	C	C	.	.			trans	-73.1	85.7	166.3	-167.3	129.8	0	0	0	107.8	L52 Q61 Y62 M63 W74 Q196 R200	L52-L198 HydrophobicContact CB-CD1 4.25Å; L52-L198 HydrophobicContact CD2-CD1 4.02Å; Q61-L198 HydrophobicContact CB-CB 4.34Å; Q61-L198 HydrophobicContact CB-CD1 4.12Å; Y62-L198 WeakPolarHBondContact O-CB 3.42Å; Y62-L198 PolarHBondContact O-N 3.44Å; M63-L198 HydrophobicContact CB-CD2 4.46Å; W74-L198 HydrophobicContact CH2-CD2 3.57Å; W74-L198 HydrophobicContact CZ3-CD2 3.56Å; Q196-L198 PolarHBondContact O-N 3.37Å; L198-R200 PolarHBondContact O-N 2.84Å
199	Q	68.2	Low	81.6	Confident	84 Å²	84	39.4 Å²	39.4	39%	0.393	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-66.8	126.1	176.9	-84.7	177.1	-29.3	0	0	109.6	L197 Q201 D589	L197-Q199 VanDerWaalsContact C-N 3.26Å; L197-Q199 HydrophobicContact CD2-CG 3.86Å; L197-Q199 HydrophobicContact CG-CG 4.2Å; L197-Q199 PolarHBondContact O-N 2.89Å; Q199-Q201 PolarHBondContact O-N 3.23Å; Q199-D589 PolarHBondContact NE2-OD2 3.05Å
200	R	69.1	Low	82.3	Confident	51 Å²	51	36.9 Å²	36.9	19%	0.192	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-66	130.6	168.4	-68.4	-176	-81.3	171	1.2	108	D72 W74 L198 H202 M203	D72-R200 IonicContact OD2-NH1 3.69Å; W74-R200 HydrophobicContact CD2-CG 4.2Å; W74-R200 HydrophobicContact CZ2-CG 3.91Å; W74-R200 VanDerWaalsContact NE1-CD 3.35Å; L198-R200 PolarHBondContact O-N 2.84Å; R200-H202 PolarHBondContact O-N 3.43Å; R200-M203 HydrophobicContact CB-CB 4Å; R200-M203 HydrophobicContact CB-CG 3.86Å; R200-M203 HydrophobicContact CB-SD 3.52Å; R200-M203 VanDerWaalsContact CB-SD 3.52Å; R200-M203 VanDerWaalsContact CD-SD 3.51Å; R200-M203 HydrophobicContact CG-SD 4.1Å; R200-M203 PolarHBondContact NE-SD 2.96Å; R200-M203 VanDerWaalsContact NH2-CE 3.27Å; R200-M203 PolarHBondContact O-N 3.47Å
201	Q	67.5	Low	82.6	Confident	135 Å²	135	37.5 Å²	37.5	63%	0.631	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	139	176.6	-70.9	-176.4	-14.2	0	0	109.7	Q199 M203	Q199-Q201 PolarHBondContact O-N 3.23Å; Q201-M203 PolarHBondContact O-N 3Å
202	H	78.9	Confident	82.7	Confident	103 Å²	103	39.2 Å²	39.2	48%	0.477	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	23.7	177.9	-51.9	-63.5	0	0	0	115.4	R200 I264 S265	R200-H202 PolarHBondContact O-N 3.43Å; H202-I264 CarbonylContact O-C 3.33Å; H202-I264 VanDerWaalsContact O-CA 3.31Å; H202-I264 WeakPolarHBondContact O-CA 3.48Å; H202-I264 WeakPolarHBondContact O-CG2 3.36Å; H202-S265 WeakPolarHBondContact CA-OG 3.44Å; H202-S265 PolarHBondContact O-N 2.95Å; H202-S265 PolarHBondContact O-OG 3.07Å
203	M	82.6	Confident	82.7	Confident	31 Å²	31	40 Å²	40	15%	0.153	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-116.6	147.6	173.7	-64.8	-167.7	62.4	0	0	113.1	R200 Q201 S262 P263 S265	R200-M203 HydrophobicContact CB-CB 4Å; R200-M203 HydrophobicContact CB-CG 3.86Å; R200-M203 HydrophobicContact CB-SD 3.52Å; R200-M203 VanDerWaalsContact CB-SD 3.52Å; R200-M203 VanDerWaalsContact CD-SD 3.51Å; R200-M203 HydrophobicContact CG-SD 4.1Å; R200-M203 PolarHBondContact NE-SD 2.96Å; R200-M203 VanDerWaalsContact NH2-CE 3.27Å; R200-M203 PolarHBondContact O-N 3.47Å; Q201-M203 PolarHBondContact O-N 3Å; M203-S262 VanDerWaalsContact CE-CA 3.42Å; M203-P263 WeakPolarHBondContact CA-O 3.43Å; M203-S265 PolarHBondContact N-OG 3.08Å; M203-S265 PolarHBondContact O-OG 3.38Å
204	L	90.2	Very high	82.8	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.021	17%	0.174	C	C	.	.			trans	-89.2	123.5	168.9	175.3	77.4	0	0	0	108.9	V206 P263 H573 F588 I591	L204-V206 HydrophobicContact CD2-CG2 3.89Å; L204-V206 HydrophobicContact CG-CG2 4.03Å; L204-V206 PolarHBondContact O-N 3.44Å; L204-P263 HydrophobicContact CB-CB 4.02Å; L204-P263 HydrophobicContact CB-CG 3.91Å; L204-P263 HydrophobicContact CD2-CB 4.07Å; L204-P263 HydrophobicContact CD2-CG 4.05Å; L204-P263 HydrophobicContact CG-CG 4.28Å; L204-P263 PolarHBondContact N-O 3.35Å; L204-P263 WeakPolarHBondContact O-CG 3.31Å; L204-H573 HydrophobicContact CB-CB 4.4Å; L204-H573 HydrophobicContact CD2-CB 3.75Å; L204-F588 VanDerWaalsContact CD1-C 3.44Å; L204-F588 HydrophobicContact CD1-CB 3.56Å; L204-F588 VanDerWaalsContact CD1-O 3.28Å; L204-F588 WeakPolarHBondContact CD1-O 3.33Å; L204-I591 HydrophobicContact CD1-CG1 4.11Å; L204-I591 HydrophobicContact CD2-CD1 3.81Å; L204-I591 HydrophobicContact CD2-CG1 4.06Å; L204-I591 HydrophobicContact CG-CG1 4.41Å
205	F	88.4	Confident	83	Confident	31 Å²	31	38.2 Å²	38.2	14%	0.136	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	119.8	175	179.9	-107	0	0	0	111	P64 P157 L197 D207 D589 A590 I591 H592	P64-F205 HydrophobicContact CB-CE2 4.48Å; P64-F205 HydrophobicContact CG-CE2 3.76Å; P64-F205 HydrophobicContact CG-CZ 4.14Å; P157-F205 HydrophobicContact CG-CZ 4.4Å; L197-F205 HydrophobicContact CD1-CD2 4.39Å; L197-F205 HydrophobicContact CD1-CE2 4.2Å; L197-F205 HydrophobicContact CD2-CB 3.95Å; L197-F205 HydrophobicContact CD2-CD1 3.83Å; L197-F205 HydrophobicContact CD2-CD2 3.64Å; L197-F205 HydrophobicContact CD2-CE1 4.25Å; L197-F205 HydrophobicContact CD2-CE2 4.11Å; L197-F205 HydrophobicContact CD2-CG 3.49Å; L197-F205 VanDerWaalsContact CD2-CG 3.49Å; L197-F205 HydrophobicContact CD2-CZ 4.37Å; F205-D207 HydrophobicContact CE1-CB 4.1Å; F205-D207 HydrophobicContact CZ-CB 3.89Å; F205-D589 WeakPolarHBondContact CB-O 3.21Å; F205-D589 PolarHBondContact N-O 3.45Å; F205-A590 HydrophobicContact CB-CB 4.01Å; F205-A590 HydrophobicContact CD1-CB 4.29Å; F205-A590 CarbonylContact O-C 3.52Å; F205-A590 VanDerWaalsContact O-CA 3.28Å; F205-A590 WeakPolarHBondContact O-CA 3.49Å; F205-I591 PolarHBondContact O-N 2.85Å; F205-H592 AromaticContact CD1-CE1 3.66Å; F205-H592 AromaticContact CE1-CE1 3.6Å
206	V	88.3	Confident	83	Confident	14 Å²	14	38.2 Å²	38.2	9%	0.085	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.4	170.8	-171.8	0	0	0	0	107.4	L204 A210 M211 P263 Y570 I591	L204-V206 HydrophobicContact CD2-CG2 3.89Å; L204-V206 HydrophobicContact CG-CG2 4.03Å; L204-V206 PolarHBondContact O-N 3.44Å; V206-A210 HydrophobicContact CG1-CB 3.69Å; V206-M211 HydrophobicContact CB-CE 4.05Å; V206-M211 HydrophobicContact CB-CG 4.35Å; V206-M211 HydrophobicContact CG1-CE 4.42Å; V206-M211 HydrophobicContact CG1-CG 3.69Å; V206-P263 HydrophobicContact CG2-CG 4.04Å; V206-Y570 HydrophobicContact CG2-CD2 4.21Å; V206-I591 HydrophobicContact CG2-CB 4.31Å
207	D	81.2	Confident	82.8	Confident	18 Å²	18	37.3 Å²	37.3	10%	0.096	17%	0.173	C	C	.	.			trans	-79.5	166.8	-179.8	83.9	-37	0	0	0	111.8	F205 S209 A210 M211	F205-D207 HydrophobicContact CE1-CB 4.1Å; F205-D207 HydrophobicContact CZ-CB 3.89Å; D207-S209 VanDerWaalsContact C-N 3.25Å; D207-S209 PolarHBondContact O-N 2.8Å; D207-S209 VanDerWaalsContact OD2-CB 3.29Å; D207-S209 WeakPolarHBondContact OD2-CB 3.43Å; D207-S209 PolarHBondContact OD2-OG 3.28Å; D207-A210 PolarHBondContact O-N 2.95Å; D207-A210 WeakPolarHBondContact OD1-CB 3.3Å; D207-A210 PolarHBondContact OD1-N 3.21Å; D207-M211 WeakPolarHBondContact O-CG 3.28Å; D207-M211 PolarHBondContact O-N 3.03Å
208	K	79.4	Confident	82.1	Confident	69 Å²	69	39.2 Å²	39.2	30%	0.3	18%	0.184	S	C	.	.	H	α-helix	trans	-60.4	-36.3	-178.7	-71.3	175.8	-176.1	153.2	0	112.4	D65 M211 K212 F219	D65-K208 PolarHBondContact O-NZ 2.77Å; K208-M211 PolarHBondContact O-N 3.24Å; K208-K212 WeakPolarHBondContact O-CB 3.45Å; K208-K212 PolarHBondContact O-N 3.32Å; K208-F219 HydrophobicContact CG-CZ 4.5Å
209	S	80.5	Confident	81	Confident	15 Å²	15	42.3 Å²	42.3	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-47.9	177.4	-26.7	0	0	0	0	110.3	D207 M211 K212 Y213 M614	D207-S209 VanDerWaalsContact C-N 3.25Å; D207-S209 PolarHBondContact O-N 2.8Å; D207-S209 VanDerWaalsContact OD2-CB 3.29Å; D207-S209 WeakPolarHBondContact OD2-CB 3.43Å; D207-S209 PolarHBondContact OD2-OG 3.28Å; S209-M211 PolarHBondContact O-N 3.38Å; S209-K212 PolarHBondContact O-N 2.81Å; S209-Y213 WeakPolarHBondContact O-CB 3.48Å; S209-Y213 PolarHBondContact O-N 3.35Å; S209-M614 WeakPolarHBondContact OG-CE 3.36Å
210	A	86.7	Confident	80.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-42.8	175	0	0	0	0	0	112.4	V206 D207 K212 Y213 L214 I593	V206-A210 HydrophobicContact CG1-CB 3.69Å; D207-A210 PolarHBondContact O-N 2.95Å; D207-A210 WeakPolarHBondContact OD1-CB 3.3Å; D207-A210 PolarHBondContact OD1-N 3.21Å; A210-K212 VanDerWaalsContact C-N 3.3Å; A210-K212 PolarHBondContact O-N 3.22Å; A210-Y213 PolarHBondContact O-N 3.08Å; A210-L214 WeakPolarHBondContact O-CB 3.44Å; A210-L214 WeakPolarHBondContact O-CG 3.47Å; A210-L214 PolarHBondContact O-N 2.93Å; A210-I593 HydrophobicContact CB-CB 4.01Å; A210-I593 HydrophobicContact CB-CD1 3.7Å; A210-I593 HydrophobicContact CB-CG1 3.64Å
211	M	87.8	Confident	78.8	Confident	13 Å²	13	46.7 Å²	46.7	6%	0.064	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-39.2	176.6	-70.6	-171.2	179.1	0	0	112.4	V206 D207 K208 S209 Q215 I216 F219	V206-M211 HydrophobicContact CB-CE 4.05Å; V206-M211 HydrophobicContact CB-CG 4.35Å; V206-M211 HydrophobicContact CG1-CE 4.42Å; V206-M211 HydrophobicContact CG1-CG 3.69Å; D207-M211 WeakPolarHBondContact O-CG 3.28Å; D207-M211 PolarHBondContact O-N 3.03Å; K208-M211 PolarHBondContact O-N 3.24Å; S209-M211 PolarHBondContact O-N 3.38Å; M211-Q215 PolarHBondContact O-N 3.14Å; M211-Q215 VanDerWaalsContact O-N 3.14Å; M211-I216 HydrophobicContact CB-CB 4.42Å; M211-I216 HydrophobicContact CG-CD1 4.28Å; M211-I216 PolarHBondContact O-N 3.21Å; M211-F219 HydrophobicContact CB-CE2 3.75Å; M211-F219 HydrophobicContact CB-CZ 4.2Å; M211-F219 HydrophobicContact SD-CE2 4.12Å; M211-F219 HydrophobicContact SD-CZ 3.56Å; M211-F219 VanDerWaalsContact SD-CZ 3.56Å
212	K	85.2	Confident	77.2	Confident	96 Å²	96	45.9 Å²	45.9	42%	0.417	22%	0.223	S	C	.	.	H	α-helix	trans	-69.2	-47.7	175.4	-176.3	-174.8	172.8	-148.5	0	111.8	K208 S209 A210 L214 Q215 D598	K208-K212 WeakPolarHBondContact O-CB 3.45Å; K208-K212 PolarHBondContact O-N 3.32Å; S209-K212 PolarHBondContact O-N 2.81Å; A210-K212 VanDerWaalsContact C-N 3.3Å; A210-K212 PolarHBondContact O-N 3.22Å; K212-L214 VanDerWaalsContact C-N 3.31Å; K212-L214 PolarHBondContact O-N 3.27Å; K212-Q215 PolarHBondContact O-N 3.26Å; K212-D598 WeakPolarHBondContact CE-OD1 3.32Å; K212-D598 IonicContact NZ-OD1 3.43Å; K212-D598 PolarHBondContact NZ-OD1 2.82Å
213	Y	86.4	Confident	75.1	Confident	18 Å²	18	47.9 Å²	47.9	7%	0.071	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-43.8	178.2	175.7	-87.8	0	0	0	112	S209 A210 Q215 K563 I593 T595 D631	S209-Y213 WeakPolarHBondContact O-CB 3.48Å; S209-Y213 PolarHBondContact O-N 3.35Å; A210-Y213 PolarHBondContact O-N 3.08Å; Y213-Q215 PolarHBondContact O-N 3.48Å; Y213-K563 HydrophobicContact CD1-CG 4.03Å; Y213-K563 HydrophobicContact CE1-CD 4.25Å; Y213-K563 HydrophobicContact CE1-CG 3.38Å; Y213-K563 WeakPolarHBondContact O-CE 3.49Å; Y213-K563 PolarHBondContact O-NZ 3.46Å; Y213-I593 HydrophobicContact CD1-CD1 3.38Å; Y213-I593 HydrophobicContact CD1-CG1 4.43Å; Y213-I593 HydrophobicContact CD1-CG2 3.66Å; Y213-I593 HydrophobicContact CD2-CG2 3.95Å; Y213-I593 HydrophobicContact CE1-CD1 4.06Å; Y213-I593 HydrophobicContact CE1-CG2 3.97Å; Y213-I593 HydrophobicContact CE2-CG2 4.27Å; Y213-I593 HydrophobicContact CG-CD1 4.07Å; Y213-I593 HydrophobicContact CG-CG2 3.63Å; Y213-T595 HydrophobicContact CD2-CG2 4.03Å; Y213-D631 HydrophobicContact CE2-CB 4.2Å; Y213-D631 PolarHBondContact OH-OD2 3.47Å
214	L	90.3	Very high	72.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.8	177.7	-66.8	175.8	0	0	0	113.5	A210 K212 I216 Y523 K563 A566 L567 I593	A210-L214 WeakPolarHBondContact O-CB 3.44Å; A210-L214 WeakPolarHBondContact O-CG 3.47Å; A210-L214 PolarHBondContact O-N 2.93Å; K212-L214 VanDerWaalsContact C-N 3.31Å; K212-L214 PolarHBondContact O-N 3.27Å; L214-I216 VanDerWaalsContact C-N 3.34Å; L214-I216 HydrophobicContact CB-CD1 3.95Å; L214-I216 HydrophobicContact CB-CG1 3.73Å; L214-I216 HydrophobicContact CD1-CD1 3.88Å; L214-Y523 PolarHBondContact O-OH 3.33Å; L214-K563 HydrophobicContact CD2-CB 4.35Å; L214-K563 HydrophobicContact CD2-CG 4.26Å; L214-A566 HydrophobicContact CD1-CB 4.09Å; L214-A566 HydrophobicContact CD2-CB 3.69Å; L214-L567 HydrophobicContact CB-CD1 4.01Å; L214-I593 HydrophobicContact CD1-CD1 3.84Å; L214-I593 HydrophobicContact CD2-CD1 3.86Å; L214-I593 HydrophobicContact CG-CD1 3.52Å
215	Q	90.3	Very high	70.1	Confident	49 Å²	49	58 Å²	58	23%	0.229	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	42.2	-177.7	-59.3	165.2	-107.8	0	0	111.8	M211 K212 Y213 P238 T239 L240 Y523 I525	M211-Q215 PolarHBondContact O-N 3.14Å; M211-Q215 VanDerWaalsContact O-N 3.14Å; K212-Q215 PolarHBondContact O-N 3.26Å; Y213-Q215 PolarHBondContact O-N 3.48Å; Q215-P238 PolarHBondContact NE2-O 3.03Å; Q215-T239 CarbonylContact O-C 3.55Å; Q215-T239 VanDerWaalsContact O-CA 3.23Å; Q215-T239 WeakPolarHBondContact O-CA 3.3Å; Q215-T239 WeakPolarHBondContact O-CB 3.27Å; Q215-L240 PolarHBondContact O-N 3.47Å; Q215-Y523 PolarHBondContact OE1-OH 3.17Å; Q215-I525 HydrophobicContact CB-CD1 3.58Å
216	I	89.5	Confident	67.6	Low	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.313	C	S	.	.			trans	-70.4	-59.7	-175.8	-67.9	176.1	0	0	0	111	M211 L214 F241 M260 L567 Y570	M211-I216 HydrophobicContact CB-CB 4.42Å; M211-I216 HydrophobicContact CG-CD1 4.28Å; M211-I216 PolarHBondContact O-N 3.21Å; L214-I216 VanDerWaalsContact C-N 3.34Å; L214-I216 HydrophobicContact CB-CD1 3.95Å; L214-I216 HydrophobicContact CB-CG1 3.73Å; L214-I216 HydrophobicContact CD1-CD1 3.88Å; I216-F241 WeakPolarHBondContact O-CB 3.39Å; I216-F241 PolarHBondContact O-N 3.38Å; I216-M260 HydrophobicContact CG2-CE 3.69Å; I216-L567 HydrophobicContact CG1-CD1 4.16Å; I216-Y570 HydrophobicContact CD1-CD1 3.89Å; I216-Y570 HydrophobicContact CD1-CD2 3.79Å; I216-Y570 HydrophobicContact CD1-CE1 3.83Å; I216-Y570 HydrophobicContact CD1-CE2 3.71Å; I216-Y570 HydrophobicContact CD1-CG 3.87Å; I216-Y570 HydrophobicContact CG1-CD1 4.38Å; I216-Y570 HydrophobicContact CG1-CE1 4.15Å; I216-Y570 HydrophobicContact CG2-CE1 3.91Å; I216-Y570 HydrophobicContact CG2-CE2 4.45Å; I216-Y570 VanDerWaalsContact CG2-OH 3.24Å; I216-Y570 WeakPolarHBondContact CG2-OH 3.45Å
217	I	82.7	Confident	65	Low	14 Å²	14	69.6 Å²	69.6	7%	0.072	35%	0.346	C	S	.	.			trans	-134.5	141	178.4	-68.4	154.3	0	0	0	108	F219 F241 R257 M260	I217-F219 PolarHBondContact O-N 3.34Å; I217-F241 HydrophobicContact CG1-CB 4.03Å; I217-F241 HydrophobicContact CG1-CD2 4.43Å; I217-F241 HydrophobicContact CG1-CG 4.44Å; I217-R257 HydrophobicContact CD1-CG 4.18Å; I217-M260 HydrophobicContact CD1-CB 3.81Å; I217-M260 HydrophobicContact CG1-CB 4.5Å; I217-M260 HydrophobicContact CG1-CE 4.38Å
218	D	70.4	Confident	62.7	Low	54 Å²	54	72.9 Å²	72.9	29%	0.289	38%	0.384	S	S	.	.			trans	-80.5	110.8	169.8	-166.7	-7.1	0	0	0	109.7	H220 T239	D218-H220 PolarHBondContact O-N 2.93Å; D218-H220 WeakPolarHBondContact OD1-CB 3.32Å; D218-H220 IonicContact OD1-CD2 3.81Å; D218-H220 PolarHBondContact OD1-N 3.37Å; D218-T239 HydrophobicContact CB-CG2 4.03Å
219	F	56.8	Low	60.6	Low	90 Å²	90	75.7 Å²	75.7	40%	0.395	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-74.4	-9.8	177.1	-69.7	-77.1	0	0	0	113.1	K208 M211 I217 E221 T222	K208-F219 HydrophobicContact CG-CZ 4.5Å; M211-F219 HydrophobicContact CB-CE2 3.75Å; M211-F219 HydrophobicContact CB-CZ 4.2Å; M211-F219 HydrophobicContact SD-CE2 4.12Å; M211-F219 HydrophobicContact SD-CZ 3.56Å; M211-F219 VanDerWaalsContact SD-CZ 3.56Å; I217-F219 PolarHBondContact O-N 3.34Å; F219-E221 VanDerWaalsContact C-N 3.35Å; F219-T222 PolarHBondContact O-OG1 3.01Å
220	H	50.2	Low	58.3	Low	121 Å²	121	82.2 Å²	82.2	56%	0.56	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-79.1	-11.6	178.4	-82	-77.6	0	0	0	114.4	D218 T222 Y223	D218-H220 PolarHBondContact O-N 2.93Å; D218-H220 WeakPolarHBondContact OD1-CB 3.32Å; D218-H220 IonicContact OD1-CD2 3.81Å; D218-H220 PolarHBondContact OD1-N 3.37Å; H220-T222 PolarHBondContact O-N 2.99Å; H220-Y223 PolarHBondContact O-N 3Å
221	E	40.4	Very low	55.8	Low	105 Å²	105	84.6 Å²	84.6	49%	0.491	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-64.7	-20.2	178.8	-77.8	-172.2	164.1	0	0	113.9	F219 Y223 R257	F219-E221 VanDerWaalsContact C-N 3.35Å; E221-Y223 VanDerWaalsContact C-N 3.3Å; E221-Y223 PolarHBondContact O-N 2.65Å; E221-R257 IonicContact OE2-NH2 3.89Å; E221-R257 PolarHBondContact OE2-NH2 3.1Å
222	T	35.6	Very low	53.2	Low	119 Å²	119	87.4 Å²	87.4	73%	0.73	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-76	-12.6	178	52.8	0	0	0	0	114.2	F219 H220	F219-T222 PolarHBondContact O-OG1 3.01Å; H220-T222 PolarHBondContact O-N 2.99Å
223	Y	34.4	Very low	51.2	Low	145 Å²	145	91 Å²	91	57%	0.569	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-100.3	15.7	-173.6	-80.5	-75.8	0	0	0	115.9	H220 E221	H220-Y223 PolarHBondContact O-N 3Å; E221-Y223 VanDerWaalsContact C-N 3.3Å; E221-Y223 PolarHBondContact O-N 2.65Å
224	K	31.7	Very low	49.2	Very low	104 Å²	104	94.5 Å²	94.5	45%	0.452	52%	0.521	S	S	.	.			trans	-130.2	69.4	178.2	-73.9	-171.3	171.4	-164.6	0	114.4	I229 P231	K224-I229 WeakPolarHBondContact CD-O 3.49Å; K224-I229 WeakPolarHBondContact CE-O 3.3Å; K224-I229 PolarHBondContact NZ-O 2.8Å; K224-P231 HydrophobicContact CD-CG 4.29Å; K224-P231 VanDerWaalsContact NZ-CD 3.31Å
225	V	35.8	Very low	46.9	Very low	142 Å²	142	100.6 Å²	100.6	86%	0.861	55%	0.554	S	S	*	*	S	Bend	trans	-119	-10.9	144.7	-178.9	0	0	0	0	111.6	K227	V225-K227 PolarHBondContact O-N 2.84Å
226	S	36.7	Very low	45.2	Very low	114 Å²	114	101.1 Å²	101.1	80%	0.797	56%	0.558	S	S	*	*	S	Bend	trans	-82	-15.6	-173.3	-40	0	0	0	0	115.6
227	K	33.2	Very low	44	Very low	175 Å²	175	104.8 Å²	104.8	76%	0.761	58%	0.583	S	S	*	*	S	Bend	trans	-148.2	106.5	171.8	-68.7	-172.3	177.9	-178.2	0	107.6	V225 I229	V225-K227 PolarHBondContact O-N 2.84Å; K227-I229 PolarHBondContact O-N 2.89Å
228	G	33.6	Very low	43.8	Very low	87 Å²	87	106.1 Å²	106.1	90%	0.897	59%	0.593	S	S	*	*			trans	-60.4	48.7	-169.3	0	0	0	0	0	117.7
229	I	33.4	Very low	44.8	Very low	128 Å²	128	104.5 Å²	104.5	66%	0.656	59%	0.585	S	S	*	*			trans	-112.9	86.7	171.4	-54.2	173.3	0	0	0	106.7	K224 K227	K224-I229 WeakPolarHBondContact CD-O 3.49Å; K224-I229 WeakPolarHBondContact CE-O 3.3Å; K224-I229 PolarHBondContact NZ-O 2.8Å; K227-I229 PolarHBondContact O-N 2.89Å
230	L	34	Very low	46.5	Very low	152 Å²	152	100.2 Å²	100.2	80%	0.796	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-52.6	124.9	161.9	-76.2	154.1	0	0	0	107.1	S232	L230-S232 PolarHBondContact O-N 2.92Å
231	P	33.2	Very low	48.5	Very low	51 Å²	51	95.1 Å²	95.1	33%	0.331	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-59.9	130.8	165.4	21.9	-15.5	0	0	0	106.5	K224 E233	K224-P231 HydrophobicContact CD-CG 4.29Å; K224-P231 VanDerWaalsContact NZ-CD 3.31Å; P231-E233 PolarHBondContact O-N 3.31Å
232	S	33.1	Very low	50.9	Low	72 Å²	72	96.6 Å²	96.6	50%	0.503	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-48	140.6	174.8	48.1	0	0	0	0	109.9	L230 A234 N235	L230-S232 PolarHBondContact O-N 2.92Å; S232-A234 PolarHBondContact O-N 3.33Å; S232-N235 PolarHBondContact O-N 3.28Å
233	E	43.4	Very low	53.5	Low	170 Å²	170	91.6 Å²	91.6	79%	0.794	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-50.8	-25.2	-178.9	-70.5	-177.3	152.1	0	0	113	P231 N235 I236	P231-E233 PolarHBondContact O-N 3.31Å; E233-N235 VanDerWaalsContact C-N 3.29Å; E233-N235 PolarHBondContact O-N 3.47Å; E233-I236 PolarHBondContact O-N 3.25Å
234	A	44.3	Very low	56.4	Low	93 Å²	93	84.7 Å²	84.7	77%	0.769	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-64.1	-23.9	175.4	0	0	0	0	0	115	S232	S232-A234 PolarHBondContact O-N 3.33Å
235	N	43.2	Very low	59.3	Low	128 Å²	128	82 Å²	82	68%	0.684	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-99.2	-0.2	-177.4	-83.9	-15	0	0	0	113.9	S232 E233 S237	S232-N235 PolarHBondContact O-N 3.28Å; E233-N235 VanDerWaalsContact C-N 3.29Å; E233-N235 PolarHBondContact O-N 3.47Å; N235-S237 PolarHBondContact O-N 2.98Å
236	I	53.6	Low	62.1	Low	60 Å²	60	77.9 Å²	77.9	31%	0.308	45%	0.451	S	S	.	.	S	Bend	trans	-85.2	112.6	-179.7	-56.5	173.9	0	0	0	108.1	E233	E233-I236 PolarHBondContact O-N 3.25Å
237	S	64.3	Low	64.9	Low	76 Å²	76	73.3 Å²	73.3	53%	0.531	42%	0.418	S	S	.	.			trans	-58.5	129.7	174.7	-64.2	0	0	0	0	109.3	N235 T239	N235-S237 PolarHBondContact O-N 2.98Å; S237-T239 PolarHBondContact O-N 3.47Å
238	P	79	Confident	67.9	Low	43 Å²	43	68 Å²	68	28%	0.279	40%	0.398	S	S	.	.			trans	-60.9	130.9	178.3	24.4	-33	0	0	0	110	Q215 I525	Q215-P238 PolarHBondContact NE2-O 3.03Å; P238-I525 HydrophobicContact CB-CG2 3.94Å; P238-I525 HydrophobicContact CG-CG2 3.63Å
239	T	90	Very high	70.8	Confident	19 Å²	19	64 Å²	64	12%	0.117	36%	0.356	C	S	.	.			trans	-114.8	156.9	178.6	60.4	0	0	0	0	111	Q215 D218 S237 F241 K242 I243	Q215-T239 CarbonylContact O-C 3.55Å; Q215-T239 VanDerWaalsContact O-CA 3.23Å; Q215-T239 WeakPolarHBondContact O-CA 3.3Å; Q215-T239 WeakPolarHBondContact O-CB 3.27Å; D218-T239 HydrophobicContact CB-CG2 4.03Å; S237-T239 PolarHBondContact O-N 3.47Å; T239-F241 PolarHBondContact O-N 2.96Å; T239-K242 PolarHBondContact O-N 3.42Å; T239-K242 VanDerWaalsContact O-N 3.14Å; T239-K242 PolarHBondContact OG1-N 3.4Å; T239-I243 PolarHBondContact O-N 2.89Å
240	L	92.7	Very high	73.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-59.8	-36.4	173.3	-178.2	62.2	0	0	0	111.1	Q215 K242 I243 L244 M260 W505 P524 L567 Y570 L571	Q215-L240 PolarHBondContact O-N 3.47Å; L240-K242 VanDerWaalsContact C-N 3.29Å; L240-K242 PolarHBondContact O-N 3.41Å; L240-I243 WeakPolarHBondContact O-CB 3.43Å; L240-I243 PolarHBondContact O-N 2.97Å; L240-I243 VanDerWaalsContact O-N 3.08Å; L240-L244 HydrophobicContact CD1-CD1 4.23Å; L240-L244 HydrophobicContact CD1-CG 4.26Å; L240-L244 HydrophobicContact CD2-CD1 4.22Å; L240-L244 HydrophobicContact CG-CD1 3.86Å; L240-L244 HydrophobicContact CG-CG 4.31Å; L240-L244 PolarHBondContact O-N 3.2Å; L240-M260 HydrophobicContact CB-CE 4.2Å; L240-M260 HydrophobicContact CD2-CE 4.04Å; L240-M260 HydrophobicContact CG-CE 3.98Å; L240-W505 HydrophobicContact CD1-CH2 4.22Å; L240-P524 HydrophobicContact CD1-CG 4.21Å; L240-L567 HydrophobicContact CD1-CD2 4.32Å; L240-L567 HydrophobicContact CD2-CD1 3.8Å; L240-L567 HydrophobicContact CD2-CD2 4.46Å; L240-L567 HydrophobicContact CD2-CG 4.16Å; L240-Y570 HydrophobicContact CD2-CD1 3.99Å; L240-Y570 HydrophobicContact CD2-CE1 3.75Å; L240-L571 HydrophobicContact CD1-CD1 4.45Å; L240-L571 HydrophobicContact CD1-CD2 4.17Å; L240-L571 HydrophobicContact CD2-CD2 3.72Å; L240-L571 HydrophobicContact CD2-CG 4.08Å; L240-L571 HydrophobicContact CG-CD2 4.38Å
241	F	92.7	Very high	76.2	Confident	15 Å²	15	54.8 Å²	54.8	7%	0.066	31%	0.311	C	S	.	.	H	α-helix	trans	-56.6	-42.9	175.1	179.9	-99.7	0	0	0	111.8	I216 I217 T239 I243 L244 N245 T253 L256 R257 M260	I216-F241 WeakPolarHBondContact O-CB 3.39Å; I216-F241 PolarHBondContact O-N 3.38Å; I217-F241 HydrophobicContact CG1-CB 4.03Å; I217-F241 HydrophobicContact CG1-CD2 4.43Å; I217-F241 HydrophobicContact CG1-CG 4.44Å; T239-F241 PolarHBondContact O-N 2.96Å; F241-I243 VanDerWaalsContact C-N 3.27Å; F241-I243 PolarHBondContact O-N 2.87Å; F241-L244 PolarHBondContact O-N 3.39Å; F241-N245 HydrophobicContact CD1-CB 4.48Å; F241-N245 HydrophobicContact CE1-CB 4.21Å; F241-N245 HydrophobicContact CE2-CB 4.49Å; F241-N245 HydrophobicContact CZ-CB 4.23Å; F241-N245 WeakPolarHBondContact O-CB 3.34Å; F241-N245 PolarHBondContact O-N 3.12Å; F241-T253 HydrophobicContact CE1-CG2 4.47Å; F241-T253 HydrophobicContact CZ-CG2 3.8Å; F241-L256 HydrophobicContact CE2-CB 4.46Å; F241-L256 HydrophobicContact CE2-CD2 4.16Å; F241-L256 HydrophobicContact CE2-CG 4.17Å; F241-R257 HydrophobicContact CE2-CB 3.8Å; F241-R257 HydrophobicContact CE2-CG 4.37Å; F241-R257 HydrophobicContact CZ-CB 4.33Å; F241-M260 HydrophobicContact CB-CE 4.09Å; F241-M260 HydrophobicContact CB-SD 4.16Å; F241-M260 HydrophobicContact CD2-SD 3.68Å; F241-M260 HydrophobicContact CG-SD 4.41Å
242	K	90.4	Very high	79	Confident	135 Å²	135	52.3 Å²	52.3	59%	0.587	30%	0.296	S	S	*	.	H	α-helix	trans	-64.2	-31.6	177.3	-170.5	174.5	-178.3	176.5	0	112.8	T239 L240	T239-K242 PolarHBondContact O-N 3.42Å; T239-K242 VanDerWaalsContact O-N 3.14Å; T239-K242 PolarHBondContact OG1-N 3.4Å; L240-K242 VanDerWaalsContact C-N 3.29Å; L240-K242 PolarHBondContact O-N 3.41Å
243	I	91.3	Very high	81.8	Confident	15 Å²	15	50.4 Å²	50.4	8%	0.077	28%	0.281	C	S	.	.	H	α-helix	trans	-75	-40.5	177.3	-61.3	172.1	0	0	0	110.8	T239 L240 F241 H246 M503 W505 P524 I525 T528	T239-I243 PolarHBondContact O-N 2.89Å; L240-I243 WeakPolarHBondContact O-CB 3.43Å; L240-I243 PolarHBondContact O-N 2.97Å; L240-I243 VanDerWaalsContact O-N 3.08Å; F241-I243 VanDerWaalsContact C-N 3.27Å; F241-I243 PolarHBondContact O-N 2.87Å; I243-H246 PolarHBondContact O-NE2 2.9Å; I243-M503 HydrophobicContact CG2-CE 4.05Å; I243-M503 HydrophobicContact CG2-CG 4.38Å; I243-M503 HydrophobicContact CG2-SD 4.49Å; I243-W505 HydrophobicContact CG2-CH2 4.01Å; I243-W505 HydrophobicContact CG2-CZ2 3.98Å; I243-P524 HydrophobicContact CD1-CB 4.29Å; I243-I525 HydrophobicContact CD1-CB 4.4Å; I243-I525 HydrophobicContact CD1-CG1 3.67Å; I243-T528 HydrophobicContact CD1-CG2 3.9Å; I243-T528 HydrophobicContact CG1-CG2 4.04Å
244	L	94	Very high	84	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-80.9	-27.9	-177.6	-75.1	175.4	0	0	0	113.5	L240 F241 H246 L256 M260 F496 A499 W505 L571 I574	L240-L244 HydrophobicContact CD1-CD1 4.23Å; L240-L244 HydrophobicContact CD1-CG 4.26Å; L240-L244 HydrophobicContact CD2-CD1 4.22Å; L240-L244 HydrophobicContact CG-CD1 3.86Å; L240-L244 HydrophobicContact CG-CG 4.31Å; L240-L244 PolarHBondContact O-N 3.2Å; F241-L244 PolarHBondContact O-N 3.39Å; L244-H246 PolarHBondContact O-N 3.25Å; L244-L256 HydrophobicContact CB-CD2 4.48Å; L244-M260 HydrophobicContact CB-SD 4.44Å; L244-M260 HydrophobicContact CD1-CE 3.89Å; L244-M260 HydrophobicContact CD1-SD 3.77Å; L244-F496 HydrophobicContact CD1-CE1 4.29Å; L244-F496 HydrophobicContact CD2-CD1 4.13Å; L244-F496 HydrophobicContact CD2-CE1 4.3Å; L244-A499 HydrophobicContact CD2-CB 3.91Å; L244-W505 HydrophobicContact CD2-CH2 3.99Å; L244-W505 HydrophobicContact CD2-CZ3 3.59Å; L244-L571 HydrophobicContact CD1-CD2 3.93Å; L244-I574 HydrophobicContact CD1-CD1 3.78Å
245	N	94.1	Very high	86.1	Confident	48 Å²	48	41 Å²	41	26%	0.257	23%	0.229	S	C	.	.			trans	-76.5	85.2	-171.8	-173.5	22.8	0	0	0	112.4	F241 C247 T253 L256	F241-N245 HydrophobicContact CD1-CB 4.48Å; F241-N245 HydrophobicContact CE1-CB 4.21Å; F241-N245 HydrophobicContact CE2-CB 4.49Å; F241-N245 HydrophobicContact CZ-CB 4.23Å; F241-N245 WeakPolarHBondContact O-CB 3.34Å; F241-N245 PolarHBondContact O-N 3.12Å; N245-C247 VanDerWaalsContact OD1-CB 3.29Å; N245-C247 WeakPolarHBondContact OD1-CB 3.46Å; N245-C247 PolarHBondContact OD1-N 3.37Å; N245-T253 WeakPolarHBondContact ND2-CG2 3.47Å; N245-L256 HydrophobicContact CB-CD2 3.87Å
246	H	94.6	Very high	88.4	Confident	55 Å²	55	34.9 Å²	34.9	26%	0.255	20%	0.197	S	C	.	.			trans	-102.6	16.8	165.8	-66.4	-85.6	0	0	0	112.6	I243 L244 R293 A495 M498 H502	I243-H246 PolarHBondContact O-NE2 2.9Å; L244-H246 PolarHBondContact O-N 3.25Å; H246-R293 PolarHBondContact O-NH1 3.08Å; H246-A495 HydrophobicContact CB-CB 4.09Å; H246-M498 HydrophobicContact CB-CB 3.9Å; H246-H502 AromaticContact CE1-CD2 3.98Å
247	C	95.9	Very high	90.2	Very high	17 Å²	17	36.6 Å²	36.6	12%	0.115	20%	0.199	C	C	.	.			trans	-63.2	139.5	177.8	-63.1	0	0	0	0	110	N245 G252 D491	N245-C247 VanDerWaalsContact OD1-CB 3.29Å; N245-C247 WeakPolarHBondContact OD1-CB 3.46Å; N245-C247 PolarHBondContact OD1-N 3.37Å; C247-G252 PolarHBondContact SG-O 3.48Å; C247-D491 VanDerWaalsContact CA-OD1 3.31Å; C247-D491 WeakPolarHBondContact CA-OD1 3.01Å; C247-D491 WeakPolarHBondContact CB-OD2 3.05Å
248	L	95.4	Very high	91.1	Very high	63 Å²	63	36 Å²	36	33%	0.33	19%	0.187	S	C	.	.			trans	-95.2	-19.3	178.8	-67	173.3	0	0	0	112.4	R293 L296 K297 D491	L248-R293 HydrophobicContact CD1-CB 3.85Å; L248-R293 HydrophobicContact CD1-CG 4.06Å; L248-R293 VanDerWaalsContact CD1-O 3.23Å; L248-R293 WeakPolarHBondContact CD1-O 3.38Å; L248-L296 HydrophobicContact CB-CB 4.2Å; L248-L296 HydrophobicContact CD1-CB 4.1Å; L248-K297 HydrophobicContact CD1-CG 4.09Å; L248-D491 PolarHBondContact N-OD1 2.72Å; L248-D491 PolarHBondContact N-OD2 3.46Å
249	T	94.3	Very high	91.6	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.025	18%	0.176	C	C	.	.	S	Bend	trans	-107.3	151.9	-176	69.6	0	0	0	0	111.5	Q251 G252 T253 L296 V299 D491	T249-Q251 VanDerWaalsContact C-N 3.29Å; T249-Q251 PolarHBondContact O-N 2.87Å; T249-G252 PolarHBondContact O-N 2.87Å; T249-G252 WeakPolarHBondContact OG1-CA 3.46Å; T249-G252 PolarHBondContact OG1-N 3.41Å; T249-T253 PolarHBondContact O-N 3.48Å; T249-T253 PolarHBondContact O-OG1 2.95Å; T249-L296 HydrophobicContact CG2-CB 4.28Å; T249-L296 HydrophobicContact CG2-CD2 3.92Å; T249-L296 WeakPolarHBondContact CG2-O 3.49Å; T249-V299 HydrophobicContact CG2-CB 3.75Å; T249-V299 HydrophobicContact CG2-CG1 3.9Å; T249-D491 WeakPolarHBondContact CB-OD2 3.42Å; T249-D491 PolarHBondContact N-OD2 3.31Å; T249-D491 PolarHBondContact OG1-OD2 3.3Å
250	T	91.1	Very high	91.6	Very high	74 Å²	74	33.5 Å²	33.5	45%	0.454	17%	0.17	S	C	.	.	H	α-helix	trans	-64.7	-36.1	174.7	49.1	0	0	0	0	112.1	A254 N301	T250-A254 PolarHBondContact O-N 3.11Å; T250-A254 VanDerWaalsContact O-N 3.1Å; T250-N301 WeakPolarHBondContact OG1-CB 3.44Å; T250-N301 PolarHBondContact OG1-ND2 2.85Å
251	Q	89.1	Confident	91.3	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.056	18%	0.184	C	C	.	.	H	α-helix	trans	-71.7	-42.5	178.8	-55.9	92.3	-37.3	0	0	110.7	T249 T253 A254 E255 G300 T302 A488	T249-Q251 VanDerWaalsContact C-N 3.29Å; T249-Q251 PolarHBondContact O-N 2.87Å; Q251-T253 VanDerWaalsContact C-N 3.33Å; Q251-T253 PolarHBondContact O-N 3.4Å; Q251-A254 PolarHBondContact O-N 3.21Å; Q251-E255 WeakPolarHBondContact O-CB 3.46Å; Q251-E255 PolarHBondContact O-N 3.2Å; Q251-G300 PolarHBondContact NE2-O 3.21Å; Q251-T302 PolarHBondContact NE2-OG1 3.03Å; Q251-A488 HydrophobicContact CB-CB 3.89Å
252	G	92.8	Very high	90.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-38.7	173.9	0	0	0	0	0	112.6	C247 T249 A254 E255 L256 C492	C247-G252 PolarHBondContact SG-O 3.48Å; T249-G252 PolarHBondContact O-N 2.87Å; T249-G252 WeakPolarHBondContact OG1-CA 3.46Å; T249-G252 PolarHBondContact OG1-N 3.41Å; G252-A254 VanDerWaalsContact C-N 3.34Å; G252-A254 PolarHBondContact O-N 3.15Å; G252-E255 PolarHBondContact O-N 3.15Å; G252-L256 VanDerWaalsContact O-CB 3.3Å; G252-L256 WeakPolarHBondContact O-CB 3.39Å; G252-L256 PolarHBondContact O-N 2.94Å; G252-C492 PolarHBondContact O-SG 3.47Å
253	T	92.8	Very high	90.8	Very high	32 Å²	32	29.3 Å²	29.3	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-63	-41.4	173.5	-59.9	0	0	0	0	111.8	F241 N245 T249 Q251 R257	F241-T253 HydrophobicContact CE1-CG2 4.47Å; F241-T253 HydrophobicContact CZ-CG2 3.8Å; N245-T253 WeakPolarHBondContact ND2-CG2 3.47Å; T249-T253 PolarHBondContact O-N 3.48Å; T249-T253 PolarHBondContact O-OG1 2.95Å; Q251-T253 VanDerWaalsContact C-N 3.33Å; Q251-T253 PolarHBondContact O-N 3.4Å; T253-R257 PolarHBondContact O-N 3.35Å
254	A	88.2	Confident	90.7	Very high	50 Å²	50	29.3 Å²	29.3	41%	0.413	16%	0.164	S	C	.	.	H	α-helix	trans	-68	-42.1	176.8	0	0	0	0	0	112	T250 Q251 G252 R257 K258	T250-A254 PolarHBondContact O-N 3.11Å; T250-A254 VanDerWaalsContact O-N 3.1Å; Q251-A254 PolarHBondContact O-N 3.21Å; G252-A254 VanDerWaalsContact C-N 3.34Å; G252-A254 PolarHBondContact O-N 3.15Å; A254-R257 WeakPolarHBondContact O-CB 3.5Å; A254-R257 PolarHBondContact O-N 3.46Å; A254-K258 PolarHBondContact O-N 2.98Å
255	E	88.1	Confident	90.5	Very high	15 Å²	15	30.5 Å²	30.5	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-67.5	-39.8	178.6	-171	59.7	-150.5	0	0	111.6	Q251 G252 R257 K258 W259 Q485 A488 E489	Q251-E255 WeakPolarHBondContact O-CB 3.46Å; Q251-E255 PolarHBondContact O-N 3.2Å; G252-E255 PolarHBondContact O-N 3.15Å; E255-R257 VanDerWaalsContact C-N 3.28Å; E255-R257 PolarHBondContact O-N 3.36Å; E255-K258 CarbonylContact O-C 3.4Å; E255-K258 WeakPolarHBondContact O-CA 3.3Å; E255-K258 VanDerWaalsContact O-CB 3.32Å; E255-K258 WeakPolarHBondContact O-CB 3.42Å; E255-K258 PolarHBondContact O-N 3.12Å; E255-K258 IonicContact OE1-NZ 2.66Å; E255-K258 PolarHBondContact OE1-NZ 3.1Å; E255-K258 IonicContact OE2-NZ 2.68Å; E255-K258 PolarHBondContact OE2-NZ 3.21Å; E255-W259 PolarHBondContact O-N 3.17Å; E255-W259 VanDerWaalsContact OE1-CD1 3.31Å; E255-W259 PolarHBondContact OE1-NE1 3.3Å; E255-Q485 PolarHBondContact OE1-NE2 3.37Å; E255-Q485 PolarHBondContact OE2-NE2 3.24Å; E255-A488 HydrophobicContact CB-CB 3.95Å; E255-A488 HydrophobicContact CG-CB 4.36Å; E255-E489 HydrophobicContact CG-CG 4.34Å
256	L	92.6	Very high	90.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-41.9	173.8	178.8	62.9	0	0	0	111	F241 L244 N245 G252 K258 W259 M260 C492 F496	F241-L256 HydrophobicContact CE2-CB 4.46Å; F241-L256 HydrophobicContact CE2-CD2 4.16Å; F241-L256 HydrophobicContact CE2-CG 4.17Å; L244-L256 HydrophobicContact CB-CD2 4.48Å; N245-L256 HydrophobicContact CB-CD2 3.87Å; G252-L256 VanDerWaalsContact O-CB 3.3Å; G252-L256 WeakPolarHBondContact O-CB 3.39Å; G252-L256 PolarHBondContact O-N 2.94Å; L256-K258 VanDerWaalsContact C-N 3.27Å; L256-K258 PolarHBondContact O-N 3.19Å; L256-W259 PolarHBondContact O-N 3.47Å; L256-M260 HydrophobicContact CD1-CG 4.42Å; L256-M260 HydrophobicContact CD1-SD 4.49Å; L256-M260 HydrophobicContact CG-SD 4.37Å; L256-M260 WeakPolarHBondContact O-CB 3.28Å; L256-M260 WeakPolarHBondContact O-CG 3.37Å; L256-M260 PolarHBondContact O-N 2.95Å; L256-C492 PolarHBondContact N-SG 3.22Å; L256-F496 HydrophobicContact CD1-CD1 4.32Å; L256-F496 HydrophobicContact CD1-CE1 3.57Å; L256-F496 HydrophobicContact CD1-CZ 4.03Å
257	R	90.2	Very high	90.1	Very high	95 Å²	95	29 Å²	29	36%	0.358	17%	0.166	S	C	.	.	H	α-helix	trans	-62.5	-37.1	176	-169.2	179.2	-75	125.9	-11.6	111.2	I217 E221 F241 T253 A254 E255 G261	I217-R257 HydrophobicContact CD1-CG 4.18Å; E221-R257 IonicContact OE2-NH2 3.89Å; E221-R257 PolarHBondContact OE2-NH2 3.1Å; F241-R257 HydrophobicContact CE2-CB 3.8Å; F241-R257 HydrophobicContact CE2-CG 4.37Å; F241-R257 HydrophobicContact CZ-CB 4.33Å; T253-R257 PolarHBondContact O-N 3.35Å; A254-R257 WeakPolarHBondContact O-CB 3.5Å; A254-R257 PolarHBondContact O-N 3.46Å; E255-R257 VanDerWaalsContact C-N 3.28Å; E255-R257 PolarHBondContact O-N 3.36Å; R257-G261 PolarHBondContact O-N 3.26Å
258	K	84.4	Confident	89.9	Confident	63 Å²	63	34.2 Å²	34.2	27%	0.274	19%	0.188	S	C	.	.	H	α-helix	trans	-66.3	-44.9	174	179.9	-175.8	167.9	-156.8	0	111.7	E71 A254 E255 L256 M260 G261 S262	E71-K258 IonicContact OE2-NZ 2.77Å; E71-K258 PolarHBondContact OE2-NZ 3.18Å; A254-K258 PolarHBondContact O-N 2.98Å; E255-K258 CarbonylContact O-C 3.4Å; E255-K258 WeakPolarHBondContact O-CA 3.3Å; E255-K258 VanDerWaalsContact O-CB 3.32Å; E255-K258 WeakPolarHBondContact O-CB 3.42Å; E255-K258 PolarHBondContact O-N 3.12Å; E255-K258 IonicContact OE1-NZ 2.66Å; E255-K258 PolarHBondContact OE1-NZ 3.1Å; E255-K258 IonicContact OE2-NZ 2.68Å; E255-K258 PolarHBondContact OE2-NZ 3.21Å; L256-K258 VanDerWaalsContact C-N 3.27Å; L256-K258 PolarHBondContact O-N 3.19Å; K258-M260 VanDerWaalsContact C-N 3.33Å; K258-M260 PolarHBondContact O-N 3.34Å; K258-G261 PolarHBondContact O-N 2.88Å; K258-S262 WeakPolarHBondContact O-CB 3.18Å; K258-S262 PolarHBondContact O-N 3.34Å
259	W	89	Confident	89.6	Confident	11 Å²	11	32.9 Å²	32.9	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-42.3	175.9	-73.3	16.6	0	0	0	111.8	E255 L256 S262 P345 E489 C492 L493 F496	E255-W259 PolarHBondContact O-N 3.17Å; E255-W259 VanDerWaalsContact OE1-CD1 3.31Å; E255-W259 PolarHBondContact OE1-NE1 3.3Å; L256-W259 PolarHBondContact O-N 3.47Å; W259-S262 CarbonylContact O-C 3.6Å; W259-S262 VanDerWaalsContact O-C 3.31Å; W259-S262 PolarHBondContact O-N 3.43Å; W259-P345 HydrophobicContact CH2-CG 4.49Å; W259-P345 HydrophobicContact CZ2-CG 3.95Å; W259-E489 HydrophobicContact CZ2-CB 4.13Å; W259-E489 HydrophobicContact CZ2-CG 4.05Å; W259-C492 HydrophobicContact CD2-CB 4.26Å; W259-C492 HydrophobicContact CE3-CB 3.75Å; W259-C492 HydrophobicContact CH2-CB 3.63Å; W259-C492 HydrophobicContact CZ2-CB 4.14Å; W259-C492 HydrophobicContact CZ3-CB 3.41Å; W259-C492 VanDerWaalsContact CZ3-CB 3.41Å; W259-L493 HydrophobicContact CH2-CD2 4.09Å; W259-L493 HydrophobicContact CH2-CG 4.1Å; W259-L493 HydrophobicContact CZ3-CD2 4.12Å; W259-L493 HydrophobicContact CZ3-CG 4.43Å; W259-F496 AromaticContact CE3-CE2 3.82Å; W259-F496 HydrophobicContact CE3-CE2 3.82Å; W259-F496 HydrophobicContact CE3-CZ 4.09Å; W259-F496 HydrophobicContact CZ3-CD2 4.44Å; W259-F496 AromaticContact CZ3-CE2 3.99Å; W259-F496 HydrophobicContact CZ3-CE2 3.99Å
260	M	90.3	Very high	89.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.3	-34.2	176.1	-71.7	-174.5	67.8	0	0	112.8	I216 I217 L240 F241 L244 L256 K258 S262 Y570 I574	I216-M260 HydrophobicContact CG2-CE 3.69Å; I217-M260 HydrophobicContact CD1-CB 3.81Å; I217-M260 HydrophobicContact CG1-CB 4.5Å; I217-M260 HydrophobicContact CG1-CE 4.38Å; L240-M260 HydrophobicContact CB-CE 4.2Å; L240-M260 HydrophobicContact CD2-CE 4.04Å; L240-M260 HydrophobicContact CG-CE 3.98Å; F241-M260 HydrophobicContact CB-CE 4.09Å; F241-M260 HydrophobicContact CB-SD 4.16Å; F241-M260 HydrophobicContact CD2-SD 3.68Å; F241-M260 HydrophobicContact CG-SD 4.41Å; L244-M260 HydrophobicContact CB-SD 4.44Å; L244-M260 HydrophobicContact CD1-CE 3.89Å; L244-M260 HydrophobicContact CD1-SD 3.77Å; L256-M260 HydrophobicContact CD1-CG 4.42Å; L256-M260 HydrophobicContact CD1-SD 4.49Å; L256-M260 HydrophobicContact CG-SD 4.37Å; L256-M260 WeakPolarHBondContact O-CB 3.28Å; L256-M260 WeakPolarHBondContact O-CG 3.37Å; L256-M260 PolarHBondContact O-N 2.95Å; K258-M260 VanDerWaalsContact C-N 3.33Å; K258-M260 PolarHBondContact O-N 3.34Å; M260-S262 PolarHBondContact O-N 3.43Å; M260-Y570 WeakPolarHBondContact CA-OH 3.4Å; M260-Y570 VanDerWaalsContact CB-OH 3.32Å; M260-Y570 WeakPolarHBondContact CB-OH 3.41Å; M260-Y570 PolarHBondContact O-OH 3.32Å; M260-I574 HydrophobicContact CG-CD1 4.28Å
261	G	85.2	Confident	89.8	Confident	28 Å²	28	31 Å²	31	29%	0.289	17%	0.17	S	C	.	.	H	α-helix	trans	-71.6	-15	173.8	0	0	0	0	0	114.1	R257 K258	R257-G261 PolarHBondContact O-N 3.26Å; K258-G261 PolarHBondContact O-N 2.88Å
262	S	82.9	Confident	90.1	Very high	31 Å²	31	33.9 Å²	33.9	22%	0.217	18%	0.18	C	C	.	.	S	Bend	trans	-135	64.7	-172.5	-64.7	0	0	0	0	111.6	M203 K258 W259 M260	M203-S262 VanDerWaalsContact CE-CA 3.42Å; K258-S262 WeakPolarHBondContact O-CB 3.18Å; K258-S262 PolarHBondContact O-N 3.34Å; W259-S262 CarbonylContact O-C 3.6Å; W259-S262 VanDerWaalsContact O-C 3.31Å; W259-S262 PolarHBondContact O-N 3.43Å; M260-S262 PolarHBondContact O-N 3.43Å
263	P	89.9	Confident	90.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.013	18%	0.183	C	C	.	.			trans	-63.7	152.6	177.5	28.3	-34.2	0	0	0	111.4	M203 L204 V206 Y570 H573 I574	M203-P263 WeakPolarHBondContact CA-O 3.43Å; L204-P263 HydrophobicContact CB-CB 4.02Å; L204-P263 HydrophobicContact CB-CG 3.91Å; L204-P263 HydrophobicContact CD2-CB 4.07Å; L204-P263 HydrophobicContact CD2-CG 4.05Å; L204-P263 HydrophobicContact CG-CG 4.28Å; L204-P263 PolarHBondContact N-O 3.35Å; L204-P263 WeakPolarHBondContact O-CG 3.31Å; V206-P263 HydrophobicContact CG2-CG 4.04Å; P263-Y570 HydrophobicContact CB-CD2 4.25Å; P263-Y570 HydrophobicContact CB-CE2 3.98Å; P263-Y570 HydrophobicContact CG-CD2 4.23Å; P263-Y570 HydrophobicContact CG-CE2 3.86Å; P263-H573 HydrophobicContact CB-CB 4.1Å; P263-I574 HydrophobicContact CB-CG2 3.87Å
264	I	90.3	Very high	90.4	Very high	15 Å²	15	33.2 Å²	33.2	8%	0.077	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-109	140.5	-165.1	-56.7	176.5	0	0	0	109.2	H202 I269 I270 H573	H202-I264 CarbonylContact O-C 3.33Å; H202-I264 VanDerWaalsContact O-CA 3.31Å; H202-I264 WeakPolarHBondContact O-CA 3.48Å; H202-I264 WeakPolarHBondContact O-CG2 3.36Å; I264-I269 HydrophobicContact CD1-CG2 3.57Å; I264-I269 HydrophobicContact CG2-CB 3.86Å; I264-I269 HydrophobicContact CG2-CD1 4.3Å; I264-I269 HydrophobicContact CG2-CG2 3.81Å; I264-I270 HydrophobicContact CB-CG1 4.24Å; I264-I270 HydrophobicContact CG2-CG1 4.19Å; I264-I270 WeakPolarHBondContact O-CD1 3.29Å; I264-H573 WeakPolarHBondContact CA-O 3.49Å; I264-H573 WeakPolarHBondContact CB-O 3.18Å; I264-H573 PolarHBondContact N-O 2.87Å; I264-H573 VanDerWaalsContact O-CB 3.24Å; I264-H573 WeakPolarHBondContact O-CB 3.42Å; I264-H573 PolarHBondContact O-CD2 3.16Å
265	S	88.7	Confident	90.8	Very high	25 Å²	25	33.8 Å²	33.8	18%	0.175	17%	0.17	C	C	.	.			trans	-108.9	-5.3	176.7	61.1	0	0	0	0	114.1	H202 M203 E267 T587 F588	H202-S265 WeakPolarHBondContact CA-OG 3.44Å; H202-S265 PolarHBondContact O-N 2.95Å; H202-S265 PolarHBondContact O-OG 3.07Å; M203-S265 PolarHBondContact N-OG 3.08Å; M203-S265 PolarHBondContact O-OG 3.38Å; S265-E267 PolarHBondContact O-N 3.4Å; S265-T587 WeakPolarHBondContact O-CB 3.32Å; S265-T587 VanDerWaalsContact O-CG2 3.25Å; S265-T587 WeakPolarHBondContact O-CG2 3.45Å; S265-F588 WeakPolarHBondContact CB-O 3.41Å
266	S	88.7	Confident	91.2	Very high	18 Å²	18	33.1 Å²	33.1	13%	0.126	17%	0.167	C	C	.	.			trans	-75.5	119.2	172.3	-179.6	0	0	0	0	111.6	E268 I269 I270	S266-E268 VanDerWaalsContact C-N 3.3Å; S266-E268 PolarHBondContact O-N 3.46Å; S266-I269 PolarHBondContact O-N 3.42Å; S266-I270 WeakPolarHBondContact O-CD1 3.41Å; S266-I270 WeakPolarHBondContact O-CG1 3.26Å; S266-I270 PolarHBondContact O-N 2.84Å
267	E	91.8	Very high	91.3	Very high	55 Å²	55	33.1 Å²	33.1	26%	0.257	17%	0.167	S	C	.	.	H	α-helix	trans	-56.4	-42.6	174.7	172.6	166.1	173	0	0	112.4	S265 I269 I270 T271 I510 T587	S265-E267 PolarHBondContact O-N 3.4Å; E267-I269 PolarHBondContact O-N 3.27Å; E267-I270 PolarHBondContact O-N 3.39Å; E267-T271 VanDerWaalsContact O-CB 3.3Å; E267-T271 WeakPolarHBondContact O-CB 3.1Å; E267-T271 PolarHBondContact O-N 2.97Å; E267-T271 PolarHBondContact O-OG1 2.92Å; E267-I510 HydrophobicContact CB-CG2 4.09Å; E267-I510 HydrophobicContact CG-CB 4.24Å; E267-I510 HydrophobicContact CG-CG2 3.65Å; E267-T587 HydrophobicContact CB-CG2 3.87Å
268	E	91.3	Very high	91.7	Very high	125 Å²	125	32.9 Å²	32.9	58%	0.584	17%	0.17	S	C	*	.	H	α-helix	trans	-58.7	-50.6	179.7	-174.4	-170.9	162.4	0	0	110.5	S266 I270 T271 R272	S266-E268 VanDerWaalsContact C-N 3.3Å; S266-E268 PolarHBondContact O-N 3.46Å; E268-I270 PolarHBondContact O-N 3.44Å; E268-T271 PolarHBondContact O-N 2.93Å; E268-R272 VanDerWaalsContact O-CG 3.23Å; E268-R272 WeakPolarHBondContact O-CG 3.49Å; E268-R272 PolarHBondContact O-N 3.49Å; E268-R272 IonicContact OE1-NH1 2.75Å
269	I	91	Very high	92.2	Very high	35 Å²	35	31.1 Å²	31.1	18%	0.179	16%	0.163	C	C	.	.	H	α-helix	trans	-65.9	-41.6	-176.3	-62.4	176.7	0	0	0	111.2	I264 S266 E267 R273 Y344	I264-I269 HydrophobicContact CD1-CG2 3.57Å; I264-I269 HydrophobicContact CG2-CB 3.86Å; I264-I269 HydrophobicContact CG2-CD1 4.3Å; I264-I269 HydrophobicContact CG2-CG2 3.81Å; S266-I269 PolarHBondContact O-N 3.42Å; E267-I269 PolarHBondContact O-N 3.27Å; I269-R273 PolarHBondContact O-N 3.05Å; I269-R273 VanDerWaalsContact O-N 3.17Å; I269-Y344 HydrophobicContact CG2-CE1 3.52Å; I269-Y344 WeakPolarHBondContact CG2-OH 3.4Å
270	I	94.4	Very high	92.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-46.6	177.3	-59.7	162.2	0	0	0	109.8	I264 S266 E267 E268 R272 R273 L274 I510 T572	I264-I270 HydrophobicContact CB-CG1 4.24Å; I264-I270 HydrophobicContact CG2-CG1 4.19Å; I264-I270 WeakPolarHBondContact O-CD1 3.29Å; S266-I270 WeakPolarHBondContact O-CD1 3.41Å; S266-I270 WeakPolarHBondContact O-CG1 3.26Å; S266-I270 PolarHBondContact O-N 2.84Å; E267-I270 PolarHBondContact O-N 3.39Å; E268-I270 PolarHBondContact O-N 3.44Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 3.33Å; I270-R273 PolarHBondContact O-N 3.07Å; I270-L274 HydrophobicContact CG2-CD1 4.13Å; I270-L274 HydrophobicContact CG2-CG 4.4Å; I270-L274 WeakPolarHBondContact O-CG 3.27Å; I270-L274 PolarHBondContact O-N 3.33Å; I270-I510 HydrophobicContact CB-CD1 3.58Å; I270-I510 HydrophobicContact CG2-CD1 3.26Å; I270-I510 HydrophobicContact CG2-CG1 4.37Å; I270-T572 WeakPolarHBondContact CG2-O 3.24Å
271	T	95.2	Very high	92.8	Very high	38 Å²	38	33.2 Å²	33.2	23%	0.233	17%	0.174	C	C	.	.	H	α-helix	trans	-58	-46.5	179.7	-58.3	0	0	0	0	110.8	E267 E268 R273 L274 D275	E267-T271 VanDerWaalsContact O-CB 3.3Å; E267-T271 WeakPolarHBondContact O-CB 3.1Å; E267-T271 PolarHBondContact O-N 2.97Å; E267-T271 PolarHBondContact O-OG1 2.92Å; E268-T271 PolarHBondContact O-N 2.93Å; T271-R273 VanDerWaalsContact C-N 3.32Å; T271-R273 PolarHBondContact O-N 3.24Å; T271-L274 CarbonylContact O-C 3.49Å; T271-L274 WeakPolarHBondContact O-CA 3.3Å; T271-L274 WeakPolarHBondContact O-CB 3.38Å; T271-L274 PolarHBondContact O-N 3.36Å; T271-D275 PolarHBondContact O-N 3.13Å
272	R	94.6	Very high	93.2	Very high	73 Å²	73	33.6 Å²	33.6	28%	0.275	18%	0.178	S	C	.	.	H	α-helix	trans	-62.5	-35.6	178.5	-66.9	178	80.8	142.2	31.9	113.6	E268 I270 A276 Y344	E268-R272 VanDerWaalsContact O-CG 3.23Å; E268-R272 WeakPolarHBondContact O-CG 3.49Å; E268-R272 PolarHBondContact O-N 3.49Å; E268-R272 IonicContact OE1-NH1 2.75Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 3.33Å; R272-A276 PolarHBondContact O-N 2.91Å; R272-A276 VanDerWaalsContact O-N 3.09Å; R272-Y344 HydrophobicContact CB-CD1 4.01Å; R272-Y344 HydrophobicContact CB-CD2 4.32Å; R272-Y344 HydrophobicContact CB-CG 3.71Å
273	R	95.4	Very high	93.4	Very high	16 Å²	16	35.5 Å²	35.5	6%	0.06	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-43.2	172.2	-75.1	-175.6	174	-176.4	-1.6	111.4	I269 I270 T271 D275 A276 V277 Y344 I574	I269-R273 PolarHBondContact O-N 3.05Å; I269-R273 VanDerWaalsContact O-N 3.17Å; I270-R273 PolarHBondContact O-N 3.07Å; T271-R273 VanDerWaalsContact C-N 3.32Å; T271-R273 PolarHBondContact O-N 3.24Å; R273-D275 VanDerWaalsContact C-N 3.3Å; R273-D275 PolarHBondContact O-N 3.5Å; R273-A276 PolarHBondContact O-N 3Å; R273-V277 WeakPolarHBondContact O-CG2 3.29Å; R273-V277 PolarHBondContact O-N 3.45Å; R273-Y344 HydrophobicContact CG-CD1 3.89Å; R273-Y344 HydrophobicContact CG-CE1 4.29Å; R273-I574 WeakPolarHBondContact CD-O 3.49Å; R273-I574 PolarHBondContact NH1-O 3.44Å
274	L	96.6	Very high	93.4	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-38.3	176.1	-68.6	173.1	0	0	0	111.9	I270 T271 V277 E278 R507 P508 I510 Y577	I270-L274 HydrophobicContact CG2-CD1 4.13Å; I270-L274 HydrophobicContact CG2-CG 4.4Å; I270-L274 WeakPolarHBondContact O-CG 3.27Å; I270-L274 PolarHBondContact O-N 3.33Å; T271-L274 CarbonylContact O-C 3.49Å; T271-L274 WeakPolarHBondContact O-CA 3.3Å; T271-L274 WeakPolarHBondContact O-CB 3.38Å; T271-L274 PolarHBondContact O-N 3.36Å; L274-V277 PolarHBondContact O-N 2.85Å; L274-E278 WeakPolarHBondContact O-CB 3.34Å; L274-E278 PolarHBondContact O-N 3.4Å; L274-R507 HydrophobicContact CB-CG 4.46Å; L274-P508 HydrophobicContact CD1-CG 3.97Å; L274-P508 HydrophobicContact CD2-CG 4.16Å; L274-I510 HydrophobicContact CD1-CD1 3.86Å; L274-I510 HydrophobicContact CD1-CG1 4.33Å; L274-Y577 HydrophobicContact CD2-CD2 3.96Å; L274-Y577 HydrophobicContact CD2-CE2 4.22Å
275	D	96.2	Very high	93.5	Very high	63 Å²	63	41.9 Å²	41.9	34%	0.337	23%	0.23	S	C	.	.	H	α-helix	trans	-65	-40	176.4	-63.6	-17.7	0	0	0	111.5	T271 R273 E278 F279 R507	T271-D275 PolarHBondContact O-N 3.13Å; R273-D275 VanDerWaalsContact C-N 3.3Å; R273-D275 PolarHBondContact O-N 3.5Å; D275-E278 PolarHBondContact O-N 3.34Å; D275-F279 WeakPolarHBondContact O-CB 3.35Å; D275-F279 PolarHBondContact O-N 3.48Å; D275-R507 IonicContact OD1-CZ 2.72Å; D275-R507 IonicContact OD1-NH2 3.85Å; D275-R507 PolarHBondContact OD1-NH2 3.1Å
276	A	95.9	Very high	93.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-41.6	174.8	0	0	0	0	0	111.9	R272 R273 F279 F280 K342 L343 L493	R272-A276 PolarHBondContact O-N 2.91Å; R272-A276 VanDerWaalsContact O-N 3.09Å; R273-A276 PolarHBondContact O-N 3Å; A276-F279 PolarHBondContact O-N 2.86Å; A276-F280 VanDerWaalsContact O-CD2 3.27Å; A276-F280 WeakPolarHBondContact O-CD2 3.39Å; A276-F280 PolarHBondContact O-N 2.87Å; A276-K342 VanDerWaalsContact CA-O 3.3Å; A276-K342 WeakPolarHBondContact CA-O 3.32Å; A276-K342 VanDerWaalsContact CB-O 3.31Å; A276-K342 WeakPolarHBondContact CB-O 3.4Å; A276-L343 HydrophobicContact CB-CD2 4.4Å; A276-L493 HydrophobicContact CB-CD1 4.1Å; A276-L493 HydrophobicContact CB-CD2 3.97Å
277	V	96.5	Very high	94	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-44.5	175.2	176.9	0	0	0	0	110.9	R273 L274 F279 F280 L281 F496 A497 A500 Y577	R273-V277 WeakPolarHBondContact O-CG2 3.29Å; R273-V277 PolarHBondContact O-N 3.45Å; L274-V277 PolarHBondContact O-N 2.85Å; V277-F279 VanDerWaalsContact C-N 3.3Å; V277-F279 PolarHBondContact O-N 3.39Å; V277-F280 PolarHBondContact O-N 3.36Å; V277-L281 HydrophobicContact CG1-CD1 4.07Å; V277-L281 WeakPolarHBondContact O-CG 3.43Å; V277-L281 PolarHBondContact O-N 3.48Å; V277-L281 VanDerWaalsContact O-N 3.1Å; V277-F496 HydrophobicContact CG2-CB 3.67Å; V277-F496 HydrophobicContact CG2-CD2 4.25Å; V277-F496 HydrophobicContact CG2-CG 4.49Å; V277-A497 HydrophobicContact CG1-CB 4.28Å; V277-A500 HydrophobicContact CG1-CB 4.42Å; V277-Y577 HydrophobicContact CB-CD2 4.16Å; V277-Y577 HydrophobicContact CB-CE2 3.83Å; V277-Y577 HydrophobicContact CG1-CD2 3.55Å; V277-Y577 HydrophobicContact CG1-CE2 3.46Å; V277-Y577 VanDerWaalsContact CG1-CE2 3.46Å; V277-Y577 HydrophobicContact CG1-CG 4.35Å
278	E	96.8	Very high	94.2	Very high	91 Å²	91	45.5 Å²	45.5	43%	0.425	25%	0.245	S	C	.	.	H	α-helix	trans	-58.8	-42.1	175.8	-174.4	170.6	-174.1	0	0	111.9	L274 D275 F280 L281 G282 R507 Y577	L274-E278 WeakPolarHBondContact O-CB 3.34Å; L274-E278 PolarHBondContact O-N 3.4Å; D275-E278 PolarHBondContact O-N 3.34Å; E278-F280 PolarHBondContact O-N 2.88Å; E278-L281 PolarHBondContact O-N 2.98Å; E278-L281 VanDerWaalsContact O-N 3.17Å; E278-G282 PolarHBondContact O-N 3.17Å; E278-R507 WeakPolarHBondContact OE2-CD 3.45Å; E278-R507 IonicContact OE2-CZ 3.47Å; E278-R507 IonicContact OE2-NE 3.28Å; E278-R507 PolarHBondContact OE2-NE 3.48Å; E278-R507 VanDerWaalsContact OE2-NE 3.08Å; E278-R507 IonicContact OE2-NH1 3.8Å; E278-R507 IonicContact OE2-NH2 2.81Å; E278-Y577 WeakPolarHBondContact CA-OH 3.32Å; E278-Y577 VanDerWaalsContact CB-OH 3.29Å; E278-Y577 WeakPolarHBondContact CB-OH 3.43Å
279	F	96.5	Very high	94.4	Very high	26 Å²	26	40 Å²	40	11%	0.114	22%	0.22	C	C	.	.	H	α-helix	trans	-57.9	-48.5	174.9	171.3	-108.9	0	0	0	111.7	D275 A276 V277 L281 G282 G285 L288 Y339 K342 L343	D275-F279 WeakPolarHBondContact O-CB 3.35Å; D275-F279 PolarHBondContact O-N 3.48Å; A276-F279 PolarHBondContact O-N 2.86Å; V277-F279 VanDerWaalsContact C-N 3.3Å; V277-F279 PolarHBondContact O-N 3.39Å; F279-L281 PolarHBondContact O-N 2.82Å; F279-G282 PolarHBondContact O-N 3Å; F279-G282 VanDerWaalsContact O-N 3.15Å; F279-G285 WeakPolarHBondContact O-CA 3.31Å; F279-L288 HydrophobicContact CE1-CD2 3.77Å; F279-L288 HydrophobicContact CZ-CD2 4.12Å; F279-Y339 HydrophobicContact CE1-CD1 4.34Å; F279-Y339 HydrophobicContact CE1-CG 4.1Å; F279-Y339 AromaticContact CE2-CD1 3.85Å; F279-Y339 HydrophobicContact CE2-CD1 3.85Å; F279-Y339 HydrophobicContact CE2-CE1 4.2Å; F279-Y339 HydrophobicContact CE2-CG 4.42Å; F279-Y339 AromaticContact CZ-CD1 3.39Å; F279-Y339 HydrophobicContact CZ-CD1 3.39Å; F279-Y339 HydrophobicContact CZ-CD2 4.17Å; F279-Y339 AromaticContact CZ-CE1 3.86Å; F279-Y339 HydrophobicContact CZ-CE1 3.86Å; F279-Y339 AromaticContact CZ-CG 3.54Å; F279-Y339 HydrophobicContact CZ-CG 3.54Å; F279-K342 HydrophobicContact CD2-CD 3.64Å; F279-K342 HydrophobicContact CE2-CD 3.96Å; F279-K342 HydrophobicContact CG-CB 4.34Å; F279-K342 HydrophobicContact CG-CD 4.13Å; F279-L343 HydrophobicContact CD1-CD2 3.92Å; F279-L343 HydrophobicContact CE1-CD2 4.27Å
280	F	96.9	Very high	94.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-27.3	177.8	-76.5	-53.3	0	0	0	113.8	A276 V277 E278 G282 G285 T286 L288 L289 I292 L343 L493 A497	A276-F280 VanDerWaalsContact O-CD2 3.27Å; A276-F280 WeakPolarHBondContact O-CD2 3.39Å; A276-F280 PolarHBondContact O-N 2.87Å; V277-F280 PolarHBondContact O-N 3.36Å; E278-F280 PolarHBondContact O-N 2.88Å; F280-G282 VanDerWaalsContact C-N 3.35Å; F280-G285 CarbonylContact O-C 3.57Å; F280-T286 VanDerWaalsContact O-CA 3.24Å; F280-T286 WeakPolarHBondContact O-CA 3.3Å; F280-T286 PolarHBondContact O-N 2.65Å; F280-T286 PolarHBondContact O-OG1 3.16Å; F280-T286 VanDerWaalsContact O-OG1 3.08Å; F280-L288 HydrophobicContact CE1-CD2 4.12Å; F280-L288 HydrophobicContact CE1-CG 4.39Å; F280-L289 HydrophobicContact CB-CB 4.5Å; F280-L289 HydrophobicContact CB-CD2 4.44Å; F280-L289 HydrophobicContact CD1-CB 3.89Å; F280-L289 HydrophobicContact CD1-CD1 4.26Å; F280-L289 HydrophobicContact CG-CD1 4.37Å; F280-I292 HydrophobicContact CE1-CD1 3.88Å; F280-I292 HydrophobicContact CZ-CD1 4.12Å; F280-L343 HydrophobicContact CD2-CD2 4.45Å; F280-L343 HydrophobicContact CE1-CD2 4.34Å; F280-L343 HydrophobicContact CE2-CD2 3.61Å; F280-L343 HydrophobicContact CZ-CD2 3.55Å; F280-L493 HydrophobicContact CD2-CB 4.31Å; F280-L493 HydrophobicContact CE2-CB 3.79Å; F280-L493 HydrophobicContact CE2-CD1 4.46Å; F280-A497 HydrophobicContact CB-CB 3.65Å; F280-A497 HydrophobicContact CD2-CB 4.5Å; F280-A497 HydrophobicContact CG-CB 4.42Å
281	L	95.3	Very high	94.7	Very high	54 Å²	54	44.8 Å²	44.8	28%	0.283	25%	0.249	S	C	.	.	H	α-helix	trans	-79.2	-14.3	176.9	-67.7	173.4	0	0	0	113.7	V277 E278 F279 T286 A497 A500 K501 Y577	V277-L281 HydrophobicContact CG1-CD1 4.07Å; V277-L281 WeakPolarHBondContact O-CG 3.43Å; V277-L281 PolarHBondContact O-N 3.48Å; V277-L281 VanDerWaalsContact O-N 3.1Å; E278-L281 PolarHBondContact O-N 2.98Å; E278-L281 VanDerWaalsContact O-N 3.17Å; F279-L281 PolarHBondContact O-N 2.82Å; L281-T286 PolarHBondContact O-OG1 3.42Å; L281-A497 WeakPolarHBondContact CD2-O 3.3Å; L281-A500 HydrophobicContact CD1-CB 4.06Å; L281-K501 HydrophobicContact CD2-CB 3.84Å; L281-Y577 HydrophobicContact CD1-CD1 4.13Å; L281-Y577 HydrophobicContact CD1-CE1 3.53Å; L281-Y577 HydrophobicContact CD1-CE2 4.4Å
282	G	92	Very high	94.8	Very high	36 Å²	36	43 Å²	43	37%	0.371	24%	0.238	S	C	.	.	S	Bend	trans	-114.3	141	-174	0	0	0	0	0	115.2	E278 F279 F280 K284 G285 T286	E278-G282 PolarHBondContact O-N 3.17Å; F279-G282 PolarHBondContact O-N 3Å; F279-G282 VanDerWaalsContact O-N 3.15Å; F280-G282 VanDerWaalsContact C-N 3.35Å; G282-K284 PolarHBondContact O-N 2.91Å; G282-G285 WeakPolarHBondContact O-CA 3.34Å; G282-G285 PolarHBondContact O-N 3.15Å; G282-T286 PolarHBondContact O-N 3.14Å
283	G	88.1	Confident	94.9	Very high	71 Å²	71	41.8 Å²	41.8	73%	0.732	23%	0.233	S	C	*	.	H	α-helix	trans	41.8	-116.7	164.3	0	0	0	0	0	115	G285 T286	G283-G285 VanDerWaalsContact C-N 3.28Å; G283-G285 PolarHBondContact O-N 2.98Å; G283-T286 PolarHBondContact O-N 2.82Å
284	K	89.2	Confident	95	Very high	151 Å²	151	45.1 Å²	45.1	66%	0.657	26%	0.255	S	S	*	.	H	α-helix	trans	-61.7	-31.5	179.1	-66.6	-174.3	178	-176.5	0	113.5	G282 T286 Q287 L288	G282-K284 PolarHBondContact O-N 2.91Å; K284-T286 VanDerWaalsContact C-N 3.31Å; K284-T286 PolarHBondContact O-N 2.86Å; K284-Q287 PolarHBondContact O-N 2.89Å; K284-L288 PolarHBondContact O-N 2.94Å
285	G	91.7	Very high	95	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-69.3	-28.6	-179.3	0	0	0	0	0	112.8	F279 F280 G282 G283 L288 L289	F279-G285 WeakPolarHBondContact O-CA 3.31Å; F280-G285 CarbonylContact O-C 3.57Å; G282-G285 WeakPolarHBondContact O-CA 3.34Å; G282-G285 PolarHBondContact O-N 3.15Å; G283-G285 VanDerWaalsContact C-N 3.28Å; G283-G285 PolarHBondContact O-N 2.98Å; G285-L288 PolarHBondContact O-N 3.3Å; G285-L289 WeakPolarHBondContact O-CB 3.44Å; G285-L289 PolarHBondContact O-N 3.45Å
286	T	94.6	Very high	95	Very high	45 Å²	45	42.8 Å²	42.8	28%	0.276	24%	0.243	S	C	.	.	H	α-helix	trans	-68.6	-38.2	174.2	-56.8	0	0	0	0	112.3	F280 L281 G282 G283 K284 S290	F280-T286 VanDerWaalsContact O-CA 3.24Å; F280-T286 WeakPolarHBondContact O-CA 3.3Å; F280-T286 PolarHBondContact O-N 2.65Å; F280-T286 PolarHBondContact O-OG1 3.16Å; F280-T286 VanDerWaalsContact O-OG1 3.08Å; L281-T286 PolarHBondContact O-OG1 3.42Å; G282-T286 PolarHBondContact O-N 3.14Å; G283-T286 PolarHBondContact O-N 2.82Å; K284-T286 VanDerWaalsContact C-N 3.31Å; K284-T286 PolarHBondContact O-N 2.86Å; T286-S290 PolarHBondContact O-N 3.17Å
287	Q	94.9	Very high	94.9	Very high	121 Å²	121	50.2 Å²	50.2	57%	0.565	28%	0.276	S	S	*	.	H	α-helix	trans	-64.3	-49.2	172.3	-178.2	-178.8	-10	0	0	110.2	K284 L289 S290 E291	K284-Q287 PolarHBondContact O-N 2.89Å; Q287-L289 VanDerWaalsContact C-N 3.29Å; Q287-L289 PolarHBondContact O-N 3.48Å; Q287-S290 WeakPolarHBondContact O-CB 3.42Å; Q287-S290 PolarHBondContact O-N 3.1Å; Q287-S290 PolarHBondContact O-OG 3.44Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.41Å; Q287-E291 PolarHBondContact NE2-OE1 2.85Å; Q287-E291 PolarHBondContact O-N 2.85Å
288	L	95.1	Very high	94.9	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-57	-41.7	177.1	-178.5	67.5	0	0	0	112.1	F279 F280 K284 G285 S290 E291 I292 M335 Y339	F279-L288 HydrophobicContact CE1-CD2 3.77Å; F279-L288 HydrophobicContact CZ-CD2 4.12Å; F280-L288 HydrophobicContact CE1-CD2 4.12Å; F280-L288 HydrophobicContact CE1-CG 4.39Å; K284-L288 PolarHBondContact O-N 2.94Å; G285-L288 PolarHBondContact O-N 3.3Å; L288-S290 VanDerWaalsContact C-N 3.29Å; L288-S290 PolarHBondContact O-N 3.22Å; L288-E291 PolarHBondContact O-N 3.4Å; L288-I292 HydrophobicContact CD1-CD1 3.98Å; L288-I292 HydrophobicContact CD1-CG1 4.08Å; L288-I292 HydrophobicContact CD2-CD1 4.12Å; L288-I292 HydrophobicContact CG-CD1 3.65Å; L288-I292 HydrophobicContact CG-CG1 4.15Å; L288-I292 WeakPolarHBondContact O-CB 3.39Å; L288-I292 VanDerWaalsContact O-CG1 3.3Å; L288-I292 WeakPolarHBondContact O-CG1 3.46Å; L288-I292 PolarHBondContact O-N 3.13Å; L288-M335 HydrophobicContact CD1-CB 3.99Å; L288-Y339 HydrophobicContact CD2-CD2 3.59Å; L288-Y339 HydrophobicContact CD2-CE2 3.98Å; L288-Y339 HydrophobicContact CD2-CG 4.29Å
289	L	95.7	Very high	94.7	Very high	8 Å²	8	53.7 Å²	53.7	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-56.9	-43.6	175.5	177.8	64.2	0	0	0	111.3	F280 G285 Q287 R293 C494 A497 M498	F280-L289 HydrophobicContact CB-CB 4.5Å; F280-L289 HydrophobicContact CB-CD2 4.44Å; F280-L289 HydrophobicContact CD1-CB 3.89Å; F280-L289 HydrophobicContact CD1-CD1 4.26Å; F280-L289 HydrophobicContact CG-CD1 4.37Å; G285-L289 WeakPolarHBondContact O-CB 3.44Å; G285-L289 PolarHBondContact O-N 3.45Å; Q287-L289 VanDerWaalsContact C-N 3.29Å; Q287-L289 PolarHBondContact O-N 3.48Å; L289-R293 HydrophobicContact CD1-CG 4.4Å; L289-R293 WeakPolarHBondContact O-CB 3.24Å; L289-R293 VanDerWaalsContact O-CG 3.23Å; L289-R293 WeakPolarHBondContact O-CG 3.26Å; L289-R293 PolarHBondContact O-N 3.19Å; L289-C494 HydrophobicContact CD1-CB 3.61Å; L289-C494 VanDerWaalsContact CD1-SG 3.51Å; L289-A497 HydrophobicContact CD2-CB 4.21Å; L289-M498 HydrophobicContact CD2-SD 4.06Å
290	S	95.2	Very high	94.5	Very high	65 Å²	65	53.2 Å²	53.2	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-65.7	-43.4	178.4	74.1	0	0	0	0	112	T286 Q287 L288 R293 T294	T286-S290 PolarHBondContact O-N 3.17Å; Q287-S290 WeakPolarHBondContact O-CB 3.42Å; Q287-S290 PolarHBondContact O-N 3.1Å; Q287-S290 PolarHBondContact O-OG 3.44Å; L288-S290 VanDerWaalsContact C-N 3.29Å; L288-S290 PolarHBondContact O-N 3.22Å; S290-R293 PolarHBondContact O-N 3.35Å; S290-T294 WeakPolarHBondContact O-CG2 3.41Å; S290-T294 PolarHBondContact O-N 3.39Å
291	E	96.6	Very high	94.2	Very high	73 Å²	73	55.8 Å²	55.8	34%	0.341	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-50.3	178.3	-68.6	172	-170.9	0	0	111.1	Q287 L288 R293 T294 V295 M335	Q287-E291 WeakPolarHBondContact CG-OE1 3.41Å; Q287-E291 PolarHBondContact NE2-OE1 2.85Å; Q287-E291 PolarHBondContact O-N 2.85Å; L288-E291 PolarHBondContact O-N 3.4Å; E291-R293 VanDerWaalsContact C-N 3.29Å; E291-R293 PolarHBondContact O-N 2.81Å; E291-T294 PolarHBondContact O-N 3.27Å; E291-T294 PolarHBondContact O-OG1 3.14Å; E291-V295 PolarHBondContact O-N 3.33Å; E291-M335 HydrophobicContact CB-SD 4.16Å
292	I	96.6	Very high	93.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-53.3	-46.6	175.4	-75.3	174.6	0	0	0	110.9	F280 L288 T294 V295 L296 L332 M335 C336 I490	F280-I292 HydrophobicContact CE1-CD1 3.88Å; F280-I292 HydrophobicContact CZ-CD1 4.12Å; L288-I292 HydrophobicContact CD1-CD1 3.98Å; L288-I292 HydrophobicContact CD1-CG1 4.08Å; L288-I292 HydrophobicContact CD2-CD1 4.12Å; L288-I292 HydrophobicContact CG-CD1 3.65Å; L288-I292 HydrophobicContact CG-CG1 4.15Å; L288-I292 WeakPolarHBondContact O-CB 3.39Å; L288-I292 VanDerWaalsContact O-CG1 3.3Å; L288-I292 WeakPolarHBondContact O-CG1 3.46Å; L288-I292 PolarHBondContact O-N 3.13Å; I292-T294 VanDerWaalsContact C-N 3.29Å; I292-T294 PolarHBondContact O-N 3.37Å; I292-V295 PolarHBondContact O-N 3.32Å; I292-V295 VanDerWaalsContact O-N 3.11Å; I292-L296 HydrophobicContact CG2-CD1 3.56Å; I292-L296 HydrophobicContact CG2-CG 3.99Å; I292-L296 WeakPolarHBondContact O-CB 3.49Å; I292-L296 WeakPolarHBondContact O-CG 3.49Å; I292-L296 PolarHBondContact O-N 2.64Å; I292-L332 HydrophobicContact CB-CD2 4.24Å; I292-L332 HydrophobicContact CG1-CD2 4.2Å; I292-L332 HydrophobicContact CG2-CD2 3.8Å; I292-M335 HydrophobicContact CG1-CE 4.13Å; I292-C336 VanDerWaalsContact CD1-SG 3.59Å; I292-I490 HydrophobicContact CD1-CG2 4.19Å; I292-I490 HydrophobicContact CG2-CG2 3.63Å
293	R	97	Very high	93.6	Very high	47 Å²	47	56.6 Å²	56.6	18%	0.177	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-32.5	179.5	-74.8	-179.2	68.9	74.7	-0.4	112.9	H246 L248 L289 S290 E291 V295	H246-R293 PolarHBondContact O-NH1 3.08Å; L248-R293 HydrophobicContact CD1-CB 3.85Å; L248-R293 HydrophobicContact CD1-CG 4.06Å; L248-R293 VanDerWaalsContact CD1-O 3.23Å; L248-R293 WeakPolarHBondContact CD1-O 3.38Å; L289-R293 HydrophobicContact CD1-CG 4.4Å; L289-R293 WeakPolarHBondContact O-CB 3.24Å; L289-R293 VanDerWaalsContact O-CG 3.23Å; L289-R293 WeakPolarHBondContact O-CG 3.26Å; L289-R293 PolarHBondContact O-N 3.19Å; S290-R293 PolarHBondContact O-N 3.35Å; E291-R293 VanDerWaalsContact C-N 3.29Å; E291-R293 PolarHBondContact O-N 2.81Å; R293-V295 VanDerWaalsContact C-N 3.33Å
294	T	96.8	Very high	93.6	Very high	86 Å²	86	58.4 Å²	58.4	53%	0.528	28%	0.283	S	S	.	.	H	α-helix	trans	-67.3	-36.5	174.1	65.4	0	0	0	0	112.1	S290 E291 I292	S290-T294 WeakPolarHBondContact O-CG2 3.41Å; S290-T294 PolarHBondContact O-N 3.39Å; E291-T294 PolarHBondContact O-N 3.27Å; E291-T294 PolarHBondContact O-OG1 3.14Å; I292-T294 VanDerWaalsContact C-N 3.29Å; I292-T294 PolarHBondContact O-N 3.37Å
295	V	96.8	Very high	93.6	Very high	15 Å²	15	51.5 Å²	51.5	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-76.7	-40.2	179.4	-179.7	0	0	0	0	111.6	E291 I292 R293 K297 R298 A328 A331 L332 M335	E291-V295 PolarHBondContact O-N 3.33Å; I292-V295 PolarHBondContact O-N 3.32Å; I292-V295 VanDerWaalsContact O-N 3.11Å; R293-V295 VanDerWaalsContact C-N 3.33Å; V295-K297 PolarHBondContact O-N 2.93Å; V295-K297 VanDerWaalsContact O-N 3.15Å; V295-R298 WeakPolarHBondContact O-CB 3.45Å; V295-R298 PolarHBondContact O-N 3.03Å; V295-A328 HydrophobicContact CG1-CB 3.77Å; V295-A328 VanDerWaalsContact CG1-O 3.3Å; V295-A328 WeakPolarHBondContact CG1-O 3.41Å; V295-A331 HydrophobicContact CG1-CB 4.06Å; V295-L332 HydrophobicContact CB-CD2 4.14Å; V295-L332 HydrophobicContact CB-CG 4.35Å; V295-L332 HydrophobicContact CG1-CD1 4.36Å; V295-L332 HydrophobicContact CG1-CD2 4.1Å; V295-L332 HydrophobicContact CG1-CG 3.75Å; V295-M335 HydrophobicContact CB-CE 3.91Å; V295-M335 HydrophobicContact CG1-CE 4.25Å; V295-M335 HydrophobicContact CG2-CE 3.58Å; V295-M335 HydrophobicContact CG2-SD 4.24Å
296	L	96.4	Very high	93.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.8	-30.9	177.7	-77.7	170.7	0	0	0	113	L248 T249 I292 R298 V299 L332 D491	L248-L296 HydrophobicContact CB-CB 4.2Å; L248-L296 HydrophobicContact CD1-CB 4.1Å; T249-L296 HydrophobicContact CG2-CB 4.28Å; T249-L296 HydrophobicContact CG2-CD2 3.92Å; T249-L296 WeakPolarHBondContact CG2-O 3.49Å; I292-L296 HydrophobicContact CG2-CD1 3.56Å; I292-L296 HydrophobicContact CG2-CG 3.99Å; I292-L296 WeakPolarHBondContact O-CB 3.49Å; I292-L296 WeakPolarHBondContact O-CG 3.49Å; I292-L296 PolarHBondContact O-N 2.64Å; L296-R298 PolarHBondContact O-N 3.4Å; L296-R298 VanDerWaalsContact O-N 3.13Å; L296-V299 WeakPolarHBondContact O-CB 3.32Å; L296-V299 PolarHBondContact O-N 3.35Å; L296-V299 VanDerWaalsContact O-N 3.07Å; L296-L332 HydrophobicContact CD2-CD1 3.72Å; L296-L332 HydrophobicContact CD2-CD2 4.33Å; L296-L332 HydrophobicContact CG-CD1 4.33Å; L296-L332 HydrophobicContact CG-CD2 4.17Å; L296-D491 HydrophobicContact CD1-CB 4.01Å; L296-D491 HydrophobicContact CD2-CB 4.14Å
297	K	95.2	Very high	93.1	Very high	156 Å²	156	54.6 Å²	54.6	68%	0.678	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.2	175	-70	-179.7	-178.6	-178.1	0	113.9	L248 V295	L248-K297 HydrophobicContact CD1-CG 4.09Å; V295-K297 PolarHBondContact O-N 2.93Å; V295-K297 VanDerWaalsContact O-N 3.15Å
298	R	94.6	Very high	92.8	Very high	151 Å²	151	52 Å²	52	57%	0.57	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.4	179.9	-57.4	179.4	-174.3	176.8	1.1	112.8	V295 L296 G300 A328	V295-R298 WeakPolarHBondContact O-CB 3.45Å; V295-R298 PolarHBondContact O-N 3.03Å; L296-R298 PolarHBondContact O-N 3.4Å; L296-R298 VanDerWaalsContact O-N 3.13Å; R298-G300 PolarHBondContact O-N 3.38Å; R298-A328 HydrophobicContact CB-CB 3.92Å
299	V	94.3	Very high	92.5	Very high	13 Å²	13	51.8 Å²	51.8	8%	0.079	25%	0.251	C	S	.	.			trans	-78.2	109.8	179.5	175.7	0	0	0	0	109.2	T249 L296 T325 A328 M329 L332	T249-V299 HydrophobicContact CG2-CB 3.75Å; T249-V299 HydrophobicContact CG2-CG1 3.9Å; L296-V299 WeakPolarHBondContact O-CB 3.32Å; L296-V299 PolarHBondContact O-N 3.35Å; L296-V299 VanDerWaalsContact O-N 3.07Å; V299-T325 HydrophobicContact CG1-CG2 4.02Å; V299-A328 HydrophobicContact CG2-CB 3.74Å; V299-M329 HydrophobicContact CG1-CE 4.11Å; V299-L332 HydrophobicContact CG2-CD1 4.09Å
300	G	91.2	Very high	92.1	Very high	17 Å²	17	56.8 Å²	56.8	18%	0.175	27%	0.274	C	S	.	.			trans	-82.1	174.6	173.7	0	0	0	0	0	113.1	Q251 R298 T302 T325	Q251-G300 PolarHBondContact NE2-O 3.21Å; R298-G300 PolarHBondContact O-N 3.38Å; G300-T302 PolarHBondContact O-N 3.11Å; G300-T325 WeakPolarHBondContact CA-OG1 3.23Å; G300-T325 PolarHBondContact N-OG1 3.24Å
301	N	91.4	Very high	91.8	Very high	53 Å²	53	58.1 Å²	58.1	28%	0.283	28%	0.28	S	S	.	.			trans	-76.2	89.6	178.7	-170.9	-30.4	0	0	0	111.6	T250 Q303 K304 I305	T250-N301 WeakPolarHBondContact OG1-CB 3.44Å; T250-N301 PolarHBondContact OG1-ND2 2.85Å; N301-Q303 PolarHBondContact OD1-N 3.45Å; N301-K304 HydrophobicContact CB-CB 4.13Å; N301-K304 PolarHBondContact O-N 2.97Å; N301-K304 WeakPolarHBondContact OD1-CB 3.23Å; N301-K304 PolarHBondContact OD1-N 3.38Å; N301-I305 WeakPolarHBondContact O-CG1 3.41Å; N301-I305 PolarHBondContact O-N 3.19Å
302	T	88.6	Confident	91.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59	-44.7	179.7	49.4	0	0	0	0	113.1	Q251 G300 K304 I305 I306 I322 T325 M329 I480 S484	Q251-T302 PolarHBondContact NE2-OG1 3.03Å; G300-T302 PolarHBondContact O-N 3.11Å; T302-K304 VanDerWaalsContact C-N 3.34Å; T302-K304 PolarHBondContact O-N 2.84Å; T302-I305 PolarHBondContact O-N 3.34Å; T302-I306 VanDerWaalsContact O-CG1 3.3Å; T302-I306 WeakPolarHBondContact O-CG1 3.26Å; T302-I306 PolarHBondContact O-N 3.18Å; T302-I322 HydrophobicContact CG2-CD1 4.39Å; T302-T325 HydrophobicContact CG2-CG2 3.48Å; T302-T325 VanDerWaalsContact CG2-CG2 3.48Å; T302-M329 HydrophobicContact CG2-CE 3.63Å; T302-I480 HydrophobicContact CG2-CG2 4.46Å; T302-S484 PolarHBondContact OG1-OG 3.41Å
303	Q	85.4	Confident	90.6	Very high	107 Å²	107	61.2 Å²	61.2	50%	0.5	31%	0.31	S	S	.	.	H	α-helix	trans	-60.9	-43.8	-178.9	-71.4	-179.8	-14.1	0	0	111.4	N301 I305 I306 L307 L481	N301-Q303 PolarHBondContact OD1-N 3.45Å; Q303-I305 VanDerWaalsContact C-N 3.33Å; Q303-I305 PolarHBondContact O-N 3.05Å; Q303-I306 PolarHBondContact O-N 3.14Å; Q303-L307 WeakPolarHBondContact O-CB 3.37Å; Q303-L307 VanDerWaalsContact O-CG 3.28Å; Q303-L307 WeakPolarHBondContact O-CG 3.42Å; Q303-L307 PolarHBondContact O-N 2.86Å; Q303-L481 HydrophobicContact CG-CD2 4.13Å
304	K	87.3	Confident	90	Very high	110 Å²	110	59.8 Å²	59.8	48%	0.478	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-40.1	176.9	-174.4	179.5	179.1	-178	0	112.1	N301 T302 R308	N301-K304 HydrophobicContact CB-CB 4.13Å; N301-K304 PolarHBondContact O-N 2.97Å; N301-K304 WeakPolarHBondContact OD1-CB 3.23Å; N301-K304 PolarHBondContact OD1-N 3.38Å; T302-K304 VanDerWaalsContact C-N 3.34Å; T302-K304 PolarHBondContact O-N 2.84Å; K304-R308 WeakPolarHBondContact O-CG 3.23Å; K304-R308 PolarHBondContact O-N 3.44Å; K304-R308 VanDerWaalsContact O-N 3.12Å
305	I	89.6	Confident	89.6	Confident	5 Å²	5	59 Å²	59	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-46.6	178.2	-66.8	166.6	0	0	0	110.6	N301 T302 Q303 L307 R308 M309 D318 I321 I322	N301-I305 WeakPolarHBondContact O-CG1 3.41Å; N301-I305 PolarHBondContact O-N 3.19Å; T302-I305 PolarHBondContact O-N 3.34Å; Q303-I305 VanDerWaalsContact C-N 3.33Å; Q303-I305 PolarHBondContact O-N 3.05Å; I305-L307 VanDerWaalsContact C-N 3.33Å; I305-L307 PolarHBondContact O-N 3.14Å; I305-R308 PolarHBondContact O-N 2.89Å; I305-R308 VanDerWaalsContact O-N 3.16Å; I305-M309 HydrophobicContact CG2-CE 3.6Å; I305-M309 HydrophobicContact CG2-CG 4.4Å; I305-M309 HydrophobicContact CG2-SD 3.93Å; I305-M309 WeakPolarHBondContact O-CG 3.16Å; I305-M309 PolarHBondContact O-N 3.5Å; I305-D318 HydrophobicContact CG1-CB 4.22Å; I305-D318 HydrophobicContact CG2-CB 4.15Å; I305-I321 HydrophobicContact CD1-CB 3.98Å; I305-I321 HydrophobicContact CD1-CG2 3.58Å; I305-I322 HydrophobicContact CD1-CD1 4.45Å; I305-I322 HydrophobicContact CG2-CB 4.43Å; I305-I322 HydrophobicContact CG2-CD1 4.26Å
306	I	90	Very high	89	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-59.3	-45	177.6	-68.6	162.7	0	0	0	110.5	T302 Q303 R308 M309 Q310 L474 T477 I480 L481	T302-I306 VanDerWaalsContact O-CG1 3.3Å; T302-I306 WeakPolarHBondContact O-CG1 3.26Å; T302-I306 PolarHBondContact O-N 3.18Å; Q303-I306 PolarHBondContact O-N 3.14Å; I306-R308 VanDerWaalsContact C-N 3.32Å; I306-R308 PolarHBondContact O-N 3.42Å; I306-M309 PolarHBondContact O-N 3.08Å; I306-Q310 HydrophobicContact CG2-CG 4.39Å; I306-Q310 WeakPolarHBondContact O-CG 3.38Å; I306-Q310 PolarHBondContact O-N 3.16Å; I306-L474 HydrophobicContact CG2-CD2 4.31Å; I306-T477 HydrophobicContact CD1-CG2 4.34Å; I306-T477 HydrophobicContact CG2-CG2 3.95Å; I306-I480 HydrophobicContact CD1-CG2 4.12Å; I306-L481 HydrophobicContact CD1-CD2 3.73Å; I306-L481 HydrophobicContact CD1-CG 4.09Å
307	L	86.5	Confident	88.6	Confident	105 Å²	105	61.7 Å²	61.7	55%	0.55	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-37.7	177.1	-74	168.8	0	0	0	112.8	Q303 I305 T311	Q303-L307 WeakPolarHBondContact O-CB 3.37Å; Q303-L307 VanDerWaalsContact O-CG 3.28Å; Q303-L307 WeakPolarHBondContact O-CG 3.42Å; Q303-L307 PolarHBondContact O-N 2.86Å; I305-L307 VanDerWaalsContact C-N 3.33Å; I305-L307 PolarHBondContact O-N 3.14Å; L307-T311 WeakPolarHBondContact O-CG2 3.44Å; L307-T311 PolarHBondContact O-N 3.37Å; L307-T311 PolarHBondContact O-OG1 3.27Å
308	R	87.8	Confident	88.4	Confident	66 Å²	66	54.6 Å²	54.6	25%	0.249	29%	0.288	C	S	.	.	H	α-helix	trans	-68.1	-40.9	174	-77.7	179.6	171.3	-180	-9.2	112.3	K304 I305 I306 T311 S312 S313 D318	K304-R308 WeakPolarHBondContact O-CG 3.23Å; K304-R308 PolarHBondContact O-N 3.44Å; K304-R308 VanDerWaalsContact O-N 3.12Å; I305-R308 PolarHBondContact O-N 2.89Å; I305-R308 VanDerWaalsContact O-N 3.16Å; I306-R308 VanDerWaalsContact C-N 3.32Å; I306-R308 PolarHBondContact O-N 3.42Å; R308-T311 WeakPolarHBondContact CA-OG1 3.41Å; R308-T311 CarbonylContact O-C 3.46Å; R308-T311 PolarHBondContact O-N 2.79Å; R308-T311 PolarHBondContact O-OG1 3.31Å; R308-T311 VanDerWaalsContact O-OG1 3.08Å; R308-S312 PolarHBondContact O-N 3.07Å; R308-S312 VanDerWaalsContact O-N 3.12Å; R308-S313 PolarHBondContact O-N 3.21Å; R308-S313 PolarHBondContact O-OG 3.28Å; R308-D318 WeakPolarHBondContact CD-OD2 3.37Å; R308-D318 IonicContact NH1-OD1 3.79Å; R308-D318 PolarHBondContact NH1-OD1 3.07Å; R308-D318 IonicContact NH1-OD2 2.87Å; R308-D318 PolarHBondContact NH1-OD2 3.36Å
309	M	89.4	Confident	88.2	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-40.5	175.9	-70.3	176.3	172.3	0	0	111.6	I305 I306 T311 S312 A314 W319 Q470 L473 L474	I305-M309 HydrophobicContact CG2-CE 3.6Å; I305-M309 HydrophobicContact CG2-CG 4.4Å; I305-M309 HydrophobicContact CG2-SD 3.93Å; I305-M309 WeakPolarHBondContact O-CG 3.16Å; I305-M309 PolarHBondContact O-N 3.5Å; I306-M309 PolarHBondContact O-N 3.08Å; M309-T311 PolarHBondContact O-N 2.96Å; M309-S312 PolarHBondContact O-N 2.85Å; M309-S312 VanDerWaalsContact O-N 3.17Å; M309-A314 HydrophobicContact CG-CB 3.95Å; M309-W319 HydrophobicContact CE-CD2 4.23Å; M309-W319 HydrophobicContact CE-CE3 3.81Å; M309-W319 HydrophobicContact CE-CH2 3.84Å; M309-W319 HydrophobicContact CE-CZ2 4.25Å; M309-W319 HydrophobicContact CE-CZ3 3.6Å; M309-Q470 HydrophobicContact CG-CG 4.32Å; M309-L473 HydrophobicContact CE-CD1 4.19Å; M309-L473 HydrophobicContact SD-CD1 4.13Å; M309-L473 HydrophobicContact SD-CD2 3.73Å; M309-L473 HydrophobicContact SD-CG 4.47Å; M309-L474 HydrophobicContact CB-CD2 4.26Å
310	Q	87.2	Confident	88	Confident	113 Å²	113	51 Å²	51	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-24	174.5	-73.5	176.5	-22	0	0	113.6	I306 L474	I306-Q310 HydrophobicContact CG2-CG 4.39Å; I306-Q310 WeakPolarHBondContact O-CG 3.38Å; I306-Q310 PolarHBondContact O-N 3.16Å; Q310-L474 HydrophobicContact CG-CD1 4.33Å; Q310-L474 HydrophobicContact CG-CD2 3.62Å
311	T	88.2	Confident	88.1	Confident	93 Å²	93	52.9 Å²	52.9	57%	0.571	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	12.6	179	53	0	0	0	0	112.6	L307 R308 M309 S313	L307-T311 WeakPolarHBondContact O-CG2 3.44Å; L307-T311 PolarHBondContact O-N 3.37Å; L307-T311 PolarHBondContact O-OG1 3.27Å; R308-T311 WeakPolarHBondContact CA-OG1 3.41Å; R308-T311 CarbonylContact O-C 3.46Å; R308-T311 PolarHBondContact O-N 2.79Å; R308-T311 PolarHBondContact O-OG1 3.31Å; R308-T311 VanDerWaalsContact O-OG1 3.08Å; M309-T311 PolarHBondContact O-N 2.96Å; T311-S313 PolarHBondContact O-N 3.42Å; T311-S313 PolarHBondContact OG1-OG 3.37Å
312	S	83.5	Confident	88.2	Confident	79 Å²	79	50.4 Å²	50.4	55%	0.552	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	29.3	-176.8	-55.2	0	0	0	0	114	R308 M309	R308-S312 PolarHBondContact O-N 3.07Å; R308-S312 VanDerWaalsContact O-N 3.12Å; M309-S312 PolarHBondContact O-N 2.85Å; M309-S312 VanDerWaalsContact O-N 3.17Å
313	S	85.4	Confident	88.4	Confident	60 Å²	60	50.9 Å²	50.9	42%	0.42	27%	0.268	S	S	.	.			trans	-113.4	22.3	-176.2	66.9	0	0	0	0	113.1	R308 T311	R308-S313 PolarHBondContact O-N 3.21Å; R308-S313 PolarHBondContact O-OG 3.28Å; T311-S313 PolarHBondContact O-N 3.42Å; T311-S313 PolarHBondContact OG1-OG 3.37Å
314	A	85.4	Confident	88.8	Confident	16 Å²	16	50.3 Å²	50.3	13%	0.132	27%	0.265	C	S	.	.			trans	-67.9	136.6	-180	0	0	0	0	0	111.6	M309	M309-A314 HydrophobicContact CG-CB 3.95Å
315	I	86.7	Confident	89.2	Confident	69 Å²	69	45 Å²	45	35%	0.354	24%	0.242	S	C	.	.			trans	-95.1	150.5	-179.3	-55.5	-179.5	0	0	0	108.8	S317 D318	I315-S317 PolarHBondContact O-N 3.26Å; I315-S317 VanDerWaalsContact O-N 3.08Å; I315-D318 PolarHBondContact N-OD2 3.29Å; I315-D318 VanDerWaalsContact O-CB 3.23Å; I315-D318 WeakPolarHBondContact O-CB 3.33Å; I315-D318 PolarHBondContact O-N 3.05Å
316	P	84.5	Confident	89.4	Confident	29 Å²	29	44.8 Å²	44.8	19%	0.188	24%	0.241	C	C	.	.	H	α-helix	trans	-49.2	-36.8	176.4	-33.9	40	0	0	0	114.7	D318 W319 T375 Q379	P316-D318 VanDerWaalsContact C-N 3.27Å; P316-D318 PolarHBondContact O-N 2.9Å; P316-W319 PolarHBondContact O-N 2.92Å; P316-T375 HydrophobicContact CB-CG2 3.94Å; P316-Q379 WeakPolarHBondContact CG-O 3.37Å
317	S	87.7	Confident	89.7	Confident	44 Å²	44	47.2 Å²	47.2	31%	0.308	25%	0.254	S	S	.	.	H	α-helix	trans	-62.9	-29.3	175.2	61	0	0	0	0	114.1	I315 W319 R320 I321	I315-S317 PolarHBondContact O-N 3.26Å; I315-S317 VanDerWaalsContact O-N 3.08Å; S317-W319 VanDerWaalsContact C-N 3.25Å; S317-W319 PolarHBondContact O-N 3.41Å; S317-R320 PolarHBondContact O-N 2.86Å; S317-I321 VanDerWaalsContact O-CG1 3.26Å; S317-I321 WeakPolarHBondContact O-CG1 3.43Å; S317-I321 PolarHBondContact O-N 3.09Å
318	D	90.7	Very high	90.1	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-32.9	-177.9	-65.6	-26.4	0	0	0	110.8	I305 R308 I315 P316 I321 I322	I305-D318 HydrophobicContact CG1-CB 4.22Å; I305-D318 HydrophobicContact CG2-CB 4.15Å; R308-D318 WeakPolarHBondContact CD-OD2 3.37Å; R308-D318 IonicContact NH1-OD1 3.79Å; R308-D318 PolarHBondContact NH1-OD1 3.07Å; R308-D318 IonicContact NH1-OD2 2.87Å; R308-D318 PolarHBondContact NH1-OD2 3.36Å; I315-D318 PolarHBondContact N-OD2 3.29Å; I315-D318 VanDerWaalsContact O-CB 3.23Å; I315-D318 WeakPolarHBondContact O-CB 3.33Å; I315-D318 PolarHBondContact O-N 3.05Å; P316-D318 VanDerWaalsContact C-N 3.27Å; P316-D318 PolarHBondContact O-N 2.9Å; D318-I321 PolarHBondContact O-N 3.19Å; D318-I322 WeakPolarHBondContact O-CB 3.42Å; D318-I322 PolarHBondContact O-N 3.3Å
319	W	90.9	Very high	90.4	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-66.8	-41.9	176.3	-65.1	110.9	0	0	0	113.2	M309 P316 S317 I322 I323 L366 I370 F381 M466 L469 Q470 L473	M309-W319 HydrophobicContact CE-CD2 4.23Å; M309-W319 HydrophobicContact CE-CE3 3.81Å; M309-W319 HydrophobicContact CE-CH2 3.84Å; M309-W319 HydrophobicContact CE-CZ2 4.25Å; M309-W319 HydrophobicContact CE-CZ3 3.6Å; P316-W319 PolarHBondContact O-N 2.92Å; S317-W319 VanDerWaalsContact C-N 3.25Å; S317-W319 PolarHBondContact O-N 3.41Å; W319-I322 HydrophobicContact CE3-CG2 4.35Å; W319-I322 VanDerWaalsContact O-CG2 3.29Å; W319-I322 WeakPolarHBondContact O-CG2 3.36Å; W319-I323 VanDerWaalsContact O-CG1 3.29Å; W319-I323 WeakPolarHBondContact O-CG1 3.07Å; W319-I323 PolarHBondContact O-N 3.43Å; W319-I323 VanDerWaalsContact O-N 3.13Å; W319-L366 HydrophobicContact CE3-CD2 4.32Å; W319-L366 HydrophobicContact CZ3-CD2 4.05Å; W319-I370 HydrophobicContact CB-CD1 3.83Å; W319-I370 HydrophobicContact CD2-CD1 3.85Å; W319-I370 HydrophobicContact CE3-CD1 3.65Å; W319-I370 HydrophobicContact CG-CD1 3.97Å; W319-I370 HydrophobicContact CZ3-CD1 4.46Å; W319-F381 AromaticContact CD1-CD2 3.56Å; W319-F381 HydrophobicContact CD2-CD2 4.31Å; W319-F381 HydrophobicContact CD2-CE2 4.08Å; W319-F381 AromaticContact CE2-CD2 3.94Å; W319-F381 AromaticContact CE2-CE2 3.86Å; W319-F381 HydrophobicContact CG-CD2 4.08Å; W319-F381 HydrophobicContact CG-CE2 4.21Å; W319-F381 HydrophobicContact CZ2-CE2 4.32Å; W319-F381 AromaticContact NE1-CD2 3.43Å; W319-F381 AromaticContact NE1-CE2 3.85Å; W319-M466 HydrophobicContact CZ2-CG 3.62Å; W319-L469 HydrophobicContact CD2-CD2 4.5Å; W319-L469 HydrophobicContact CE3-CD2 3.91Å; W319-L469 HydrophobicContact CH2-CB 4.1Å; W319-L469 HydrophobicContact CH2-CD2 3.62Å; W319-L469 HydrophobicContact CH2-CG 3.93Å; W319-L469 HydrophobicContact CZ2-CD2 4.24Å; W319-L469 HydrophobicContact CZ3-CD2 3.44Å; W319-L469 VanDerWaalsContact CZ3-CD2 3.44Å; W319-L469 HydrophobicContact CZ3-CG 3.93Å; W319-Q470 HydrophobicContact CH2-CB 4.43Å; W319-Q470 HydrophobicContact CH2-CG 3.52Å; W319-Q470 HydrophobicContact CZ2-CG 3.52Å; W319-L473 HydrophobicContact CZ3-CD1 4.13Å
320	R	90.5	Very high	90.6	Very high	86 Å²	86	42 Å²	42	33%	0.325	23%	0.229	S	C	.	.	H	α-helix	trans	-65.3	-44.5	173.9	-175.3	-178.5	66.8	160.9	-6.8	110.8	S317 I323 H324 E376	S317-R320 PolarHBondContact O-N 2.86Å; R320-I323 PolarHBondContact O-N 3.1Å; R320-H324 PolarHBondContact O-CD2 3.32Å; R320-H324 VanDerWaalsContact O-CD2 3.32Å; R320-H324 PolarHBondContact O-N 3.37Å; R320-E376 IonicContact CZ-OE1 2.77Å; R320-E376 VanDerWaalsContact CZ-OE1 3.23Å; R320-E376 IonicContact CZ-OE2 3.67Å; R320-E376 IonicContact NE-OE2 3.03Å; R320-E376 IonicContact NH1-OE1 3.9Å; R320-E376 PolarHBondContact NH1-OE1 3.46Å; R320-E376 IonicContact NH1-OE2 2.65Å; R320-E376 PolarHBondContact NH1-OE2 2.87Å; R320-E376 IonicContact NH2-OE1 3.74Å; R320-E376 PolarHBondContact NH2-OE1 3.31Å
321	I	92.6	Very high	91	Very high	57 Å²	57	38.2 Å²	38.2	29%	0.292	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-44.9	179.9	-64.1	164	0	0	0	110.3	I305 S317 D318 I323 H324 T325	I305-I321 HydrophobicContact CD1-CB 3.98Å; I305-I321 HydrophobicContact CD1-CG2 3.58Å; S317-I321 VanDerWaalsContact O-CG1 3.26Å; S317-I321 WeakPolarHBondContact O-CG1 3.43Å; S317-I321 PolarHBondContact O-N 3.09Å; D318-I321 PolarHBondContact O-N 3.19Å; I321-I323 PolarHBondContact O-N 3.36Å; I321-H324 PolarHBondContact O-N 3.38Å; I321-T325 WeakPolarHBondContact O-CB 3.15Å; I321-T325 PolarHBondContact O-N 3.37Å; I321-T325 PolarHBondContact O-OG1 3.35Å
322	I	93.9	Very high	91.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-40.8	-179.7	-160.2	68.6	0	0	0	111.3	T302 I305 D318 W319 T325 L326 L366 L473	T302-I322 HydrophobicContact CG2-CD1 4.39Å; I305-I322 HydrophobicContact CD1-CD1 4.45Å; I305-I322 HydrophobicContact CG2-CB 4.43Å; I305-I322 HydrophobicContact CG2-CD1 4.26Å; D318-I322 WeakPolarHBondContact O-CB 3.42Å; D318-I322 PolarHBondContact O-N 3.3Å; W319-I322 HydrophobicContact CE3-CG2 4.35Å; W319-I322 VanDerWaalsContact O-CG2 3.29Å; W319-I322 WeakPolarHBondContact O-CG2 3.36Å; I322-T325 PolarHBondContact O-N 2.93Å; I322-L326 HydrophobicContact CG1-CD1 4.32Å; I322-L326 HydrophobicContact CG1-CG 4.44Å; I322-L326 VanDerWaalsContact O-CG 3.24Å; I322-L326 WeakPolarHBondContact O-CG 3.42Å; I322-L326 PolarHBondContact O-N 3.44Å; I322-L366 HydrophobicContact CG2-CD1 4.24Å; I322-L473 HydrophobicContact CG1-CD1 4.41Å
323	I	93.3	Very high	91.7	Very high	10 Å²	10	30.4 Å²	30.4	5%	0.051	17%	0.166	C	C	.	.	H	α-helix	trans	-61.6	-50.9	176.8	-70.5	168.2	0	0	0	110.9	W319 R320 I321 T325 L326 D327 L366 I367 I370 T372	W319-I323 VanDerWaalsContact O-CG1 3.29Å; W319-I323 WeakPolarHBondContact O-CG1 3.07Å; W319-I323 PolarHBondContact O-N 3.43Å; W319-I323 VanDerWaalsContact O-N 3.13Å; R320-I323 PolarHBondContact O-N 3.1Å; I321-I323 PolarHBondContact O-N 3.36Å; I323-T325 PolarHBondContact O-N 2.93Å; I323-L326 PolarHBondContact O-N 2.81Å; I323-D327 WeakPolarHBondContact O-CB 3.5Å; I323-D327 PolarHBondContact O-N 2.94Å; I323-L366 HydrophobicContact CD1-CB 4.09Å; I323-L366 HydrophobicContact CG1-CB 3.88Å; I323-L366 HydrophobicContact CG1-CD1 4.18Å; I323-I367 HydrophobicContact CD1-CG1 4.41Å; I323-I367 HydrophobicContact CG2-CD1 4.03Å; I323-I367 HydrophobicContact CG2-CG1 3.77Å; I323-I370 HydrophobicContact CD1-CD1 4.23Å; I323-T372 HydrophobicContact CD1-CG2 3.64Å
324	H	93.5	Very high	92	Very high	95 Å²	95	32 Å²	32	44%	0.44	17%	0.173	S	C	.	.	H	α-helix	trans	-62.9	-33.9	177.1	-71.4	-42.1	0	0	0	112.6	R320 I321 A328	R320-H324 PolarHBondContact O-CD2 3.32Å; R320-H324 VanDerWaalsContact O-CD2 3.32Å; R320-H324 PolarHBondContact O-N 3.37Å; I321-H324 PolarHBondContact O-N 3.38Å; H324-A328 VanDerWaalsContact O-CB 3.31Å; H324-A328 WeakPolarHBondContact O-CB 3.16Å; H324-A328 PolarHBondContact O-N 3.08Å
325	T	95.3	Very high	92.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.4	-44.1	177.7	-60.1	0	0	0	0	111.3	V299 G300 T302 I321 I322 I323 D327 A328 M329	V299-T325 HydrophobicContact CG1-CG2 4.02Å; G300-T325 WeakPolarHBondContact CA-OG1 3.23Å; G300-T325 PolarHBondContact N-OG1 3.24Å; T302-T325 HydrophobicContact CG2-CG2 3.48Å; T302-T325 VanDerWaalsContact CG2-CG2 3.48Å; I321-T325 WeakPolarHBondContact O-CB 3.15Å; I321-T325 PolarHBondContact O-N 3.37Å; I321-T325 PolarHBondContact O-OG1 3.35Å; I322-T325 PolarHBondContact O-N 2.93Å; I323-T325 PolarHBondContact O-N 2.93Å; T325-D327 VanDerWaalsContact C-N 3.35Å; T325-A328 PolarHBondContact O-N 3.28Å; T325-M329 HydrophobicContact CG2-CE 3.55Å; T325-M329 HydrophobicContact CG2-SD 4.08Å; T325-M329 WeakPolarHBondContact O-CB 3.4Å; T325-M329 VanDerWaalsContact O-CG 3.23Å; T325-M329 WeakPolarHBondContact O-CG 3.36Å; T325-M329 PolarHBondContact O-N 2.68Å
326	L	95.1	Very high	92.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-40.4	175.8	-66.9	171.2	0	0	0	111.3	I322 I323 M329 E330 I359 V362 K363 L366 I480	I322-L326 HydrophobicContact CG1-CD1 4.32Å; I322-L326 HydrophobicContact CG1-CG 4.44Å; I322-L326 VanDerWaalsContact O-CG 3.24Å; I322-L326 WeakPolarHBondContact O-CG 3.42Å; I322-L326 PolarHBondContact O-N 3.44Å; I323-L326 PolarHBondContact O-N 2.81Å; L326-M329 PolarHBondContact O-N 3.43Å; L326-E330 WeakPolarHBondContact O-CB 3.35Å; L326-E330 PolarHBondContact O-N 3Å; L326-I359 HydrophobicContact CB-CG2 4.17Å; L326-I359 HydrophobicContact CD2-CD1 4.25Å; L326-I359 HydrophobicContact CD2-CG2 3.98Å; L326-V362 HydrophobicContact CD1-CG1 3.98Å; L326-K363 HydrophobicContact CB-CB 4.26Å; L326-K363 HydrophobicContact CB-CG 4.48Å; L326-L366 HydrophobicContact CD1-CD1 3.72Å; L326-I480 HydrophobicContact CD2-CG1 4.12Å; L326-I480 HydrophobicContact CD2-CG2 4.41Å
327	D	95.1	Very high	93	Very high	58 Å²	58	35.1 Å²	35.1	31%	0.31	18%	0.179	S	C	.	.	H	α-helix	trans	-60.8	-46.1	174.2	-169.3	60.2	0	0	0	112.1	I323 T325 M329 E330 A331 K363	I323-D327 WeakPolarHBondContact O-CB 3.5Å; I323-D327 PolarHBondContact O-N 2.94Å; T325-D327 VanDerWaalsContact C-N 3.35Å; D327-M329 PolarHBondContact O-N 3.26Å; D327-E330 PolarHBondContact O-N 3.12Å; D327-A331 WeakPolarHBondContact O-CB 3.18Å; D327-A331 PolarHBondContact O-N 2.82Å; D327-K363 HydrophobicContact CB-CD 3.82Å; D327-K363 IonicContact OD1-NZ 3.15Å; D327-K363 PolarHBondContact OD1-NZ 3.39Å
328	A	95.8	Very high	93.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-41.5	176.3	0	0	0	0	0	112	V295 R298 V299 H324 T325 A331 L332	V295-A328 HydrophobicContact CG1-CB 3.77Å; V295-A328 VanDerWaalsContact CG1-O 3.3Å; V295-A328 WeakPolarHBondContact CG1-O 3.41Å; R298-A328 HydrophobicContact CB-CB 3.92Å; V299-A328 HydrophobicContact CG2-CB 3.74Å; H324-A328 VanDerWaalsContact O-CB 3.31Å; H324-A328 WeakPolarHBondContact O-CB 3.16Å; H324-A328 PolarHBondContact O-N 3.08Å; T325-A328 PolarHBondContact O-N 3.28Å; A328-A331 PolarHBondContact O-N 3.45Å; A328-L332 WeakPolarHBondContact O-CB 3.27Å; A328-L332 WeakPolarHBondContact O-CG 3.39Å; A328-L332 PolarHBondContact O-N 3.09Å
329	M	94.5	Very high	93.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-45	176.6	-74.5	173.9	177.2	0	0	112.1	V299 T302 T325 L326 D327 A331 L332 I333 A483 A487	V299-M329 HydrophobicContact CG1-CE 4.11Å; T302-M329 HydrophobicContact CG2-CE 3.63Å; T325-M329 HydrophobicContact CG2-CE 3.55Å; T325-M329 HydrophobicContact CG2-SD 4.08Å; T325-M329 WeakPolarHBondContact O-CB 3.4Å; T325-M329 VanDerWaalsContact O-CG 3.23Å; T325-M329 WeakPolarHBondContact O-CG 3.36Å; T325-M329 PolarHBondContact O-N 2.68Å; L326-M329 PolarHBondContact O-N 3.43Å; D327-M329 PolarHBondContact O-N 3.26Å; M329-A331 VanDerWaalsContact C-N 3.34Å; M329-A331 PolarHBondContact O-N 2.84Å; M329-L332 PolarHBondContact O-N 2.9Å; M329-I333 WeakPolarHBondContact O-CD1 3.35Å; M329-I333 VanDerWaalsContact O-CG1 3.22Å; M329-I333 WeakPolarHBondContact O-CG1 3.48Å; M329-I333 PolarHBondContact O-N 2.96Å; M329-A483 HydrophobicContact CB-CB 4.32Å; M329-A483 HydrophobicContact CG-CB 4.39Å; M329-A483 HydrophobicContact SD-CB 3.73Å; M329-A487 HydrophobicContact CE-CB 4.47Å
330	E	93.7	Very high	93	Very high	62 Å²	62	42 Å²	42	29%	0.29	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-42.7	176.2	-173.5	180	175.2	0	0	111.8	L326 D327 I333 T334 I359 K363	L326-E330 WeakPolarHBondContact O-CB 3.35Å; L326-E330 PolarHBondContact O-N 3Å; D327-E330 PolarHBondContact O-N 3.12Å; E330-I333 PolarHBondContact O-N 3.17Å; E330-T334 WeakPolarHBondContact O-CB 3.33Å; E330-T334 PolarHBondContact O-N 3.03Å; E330-T334 PolarHBondContact O-OG1 3.49Å; E330-I359 HydrophobicContact CB-CG2 4.4Å; E330-K363 WeakPolarHBondContact OE2-CE 3.37Å; E330-K363 IonicContact OE2-NZ 2.85Å; E330-K363 PolarHBondContact OE2-NZ 3.28Å
331	A	94.8	Very high	92.9	Very high	34 Å²	34	45.9 Å²	45.9	28%	0.281	24%	0.239	S	C	.	.	H	α-helix	trans	-62.7	-44.9	174.4	0	0	0	0	0	111.9	V295 D327 A328 M329 I333 T334 M335	V295-A331 HydrophobicContact CG1-CB 4.06Å; D327-A331 WeakPolarHBondContact O-CB 3.18Å; D327-A331 PolarHBondContact O-N 2.82Å; A328-A331 PolarHBondContact O-N 3.45Å; M329-A331 VanDerWaalsContact C-N 3.34Å; M329-A331 PolarHBondContact O-N 2.84Å; A331-I333 PolarHBondContact O-N 3.17Å; A331-T334 PolarHBondContact O-N 3.13Å; A331-M335 WeakPolarHBondContact O-CB 3.41Å; A331-M335 VanDerWaalsContact O-CG 3.28Å; A331-M335 WeakPolarHBondContact O-CG 3.46Å; A331-M335 PolarHBondContact O-N 2.89Å
332	L	94.4	Very high	92.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-46.1	177	-73.2	166.8	0	0	0	111.9	I292 V295 L296 V299 A328 M329 T334 M335 C336 F486 A487	I292-L332 HydrophobicContact CB-CD2 4.24Å; I292-L332 HydrophobicContact CG1-CD2 4.2Å; I292-L332 HydrophobicContact CG2-CD2 3.8Å; V295-L332 HydrophobicContact CB-CD2 4.14Å; V295-L332 HydrophobicContact CB-CG 4.35Å; V295-L332 HydrophobicContact CG1-CD1 4.36Å; V295-L332 HydrophobicContact CG1-CD2 4.1Å; V295-L332 HydrophobicContact CG1-CG 3.75Å; L296-L332 HydrophobicContact CD2-CD1 3.72Å; L296-L332 HydrophobicContact CD2-CD2 4.33Å; L296-L332 HydrophobicContact CG-CD1 4.33Å; L296-L332 HydrophobicContact CG-CD2 4.17Å; V299-L332 HydrophobicContact CG2-CD1 4.09Å; A328-L332 WeakPolarHBondContact O-CB 3.27Å; A328-L332 WeakPolarHBondContact O-CG 3.39Å; A328-L332 PolarHBondContact O-N 3.09Å; M329-L332 PolarHBondContact O-N 2.9Å; L332-T334 VanDerWaalsContact C-N 3.31Å; L332-T334 PolarHBondContact O-N 3.5Å; L332-M335 HydrophobicContact CD2-CE 3.74Å; L332-M335 HydrophobicContact CG-CE 4.28Å; L332-M335 PolarHBondContact O-N 2.94Å; L332-C336 WeakPolarHBondContact O-CB 3.35Å; L332-C336 PolarHBondContact O-N 2.89Å; L332-C336 PolarHBondContact O-SG 2.69Å; L332-C336 VanDerWaalsContact O-SG 3.35Å; L332-F486 HydrophobicContact CB-CE1 4.09Å; L332-A487 HydrophobicContact CD1-CB 4.05Å
333	I	92.1	Very high	92.7	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-46	176.6	-69.7	164.2	0	0	0	110	M329 E330 A331 C336 K337 F350 F354 P356 F486	M329-I333 WeakPolarHBondContact O-CD1 3.35Å; M329-I333 VanDerWaalsContact O-CG1 3.22Å; M329-I333 WeakPolarHBondContact O-CG1 3.48Å; M329-I333 PolarHBondContact O-N 2.96Å; E330-I333 PolarHBondContact O-N 3.17Å; A331-I333 PolarHBondContact O-N 3.17Å; I333-C336 PolarHBondContact O-N 3.09Å; I333-K337 VanDerWaalsContact O-CB 3.3Å; I333-K337 WeakPolarHBondContact O-CB 3.39Å; I333-K337 PolarHBondContact O-N 3.03Å; I333-F350 HydrophobicContact CG2-CE1 3.77Å; I333-F350 HydrophobicContact CG2-CZ 4.31Å; I333-F354 HydrophobicContact CD1-CE1 3.75Å; I333-F354 HydrophobicContact CD1-CZ 3.82Å; I333-P356 HydrophobicContact CD1-CB 4.3Å; I333-P356 HydrophobicContact CG2-CB 3.91Å; I333-F486 HydrophobicContact CG1-CD1 4Å; I333-F486 HydrophobicContact CG1-CE1 3.87Å; I333-F486 HydrophobicContact CG1-CE2 4.38Å; I333-F486 HydrophobicContact CG1-CG 4.37Å; I333-F486 HydrophobicContact CG1-CZ 4.09Å
334	T	92.7	Very high	92.6	Very high	93 Å²	93	49.5 Å²	49.5	57%	0.571	25%	0.251	S	S	*	.	H	α-helix	trans	-64.1	-43.4	-179.8	-56.8	0	0	0	0	112.3	E330 A331 L332 P338	E330-T334 WeakPolarHBondContact O-CB 3.33Å; E330-T334 PolarHBondContact O-N 3.03Å; E330-T334 PolarHBondContact O-OG1 3.49Å; A331-T334 PolarHBondContact O-N 3.13Å; L332-T334 VanDerWaalsContact C-N 3.31Å; L332-T334 PolarHBondContact O-N 3.5Å; T334-P338 WeakPolarHBondContact O-CD 3.08Å
335	M	93.1	Very high	92.2	Very high	41 Å²	41	45.6 Å²	45.6	20%	0.202	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-37.5	178.6	-70.8	-175.5	-59.6	0	0	112.7	L288 E291 I292 V295 A331 L332 P338	L288-M335 HydrophobicContact CD1-CB 3.99Å; E291-M335 HydrophobicContact CB-SD 4.16Å; I292-M335 HydrophobicContact CG1-CE 4.13Å; V295-M335 HydrophobicContact CB-CE 3.91Å; V295-M335 HydrophobicContact CG1-CE 4.25Å; V295-M335 HydrophobicContact CG2-CE 3.58Å; V295-M335 HydrophobicContact CG2-SD 4.24Å; A331-M335 WeakPolarHBondContact O-CB 3.41Å; A331-M335 VanDerWaalsContact O-CG 3.28Å; A331-M335 WeakPolarHBondContact O-CG 3.46Å; A331-M335 PolarHBondContact O-N 2.89Å; L332-M335 HydrophobicContact CD2-CE 3.74Å; L332-M335 HydrophobicContact CG-CE 4.28Å; L332-M335 PolarHBondContact O-N 2.94Å; M335-P338 WeakPolarHBondContact O-CD 3.24Å
336	C	92.4	Very high	91.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-84.1	-24.3	-177.7	-69.8	0	0	0	0	113.6	I292 L332 I333 P338 Y339 C340 L343 F350 F486	I292-C336 VanDerWaalsContact CD1-SG 3.59Å; L332-C336 WeakPolarHBondContact O-CB 3.35Å; L332-C336 PolarHBondContact O-N 2.89Å; L332-C336 PolarHBondContact O-SG 2.69Å; L332-C336 VanDerWaalsContact O-SG 3.35Å; I333-C336 PolarHBondContact O-N 3.09Å; C336-P338 VanDerWaalsContact C-CD 3.47Å; C336-Y339 CarbonylContact O-C 3.4Å; C336-Y339 WeakPolarHBondContact O-CA 3.32Å; C336-Y339 PolarHBondContact O-N 2.98Å; C336-C340 PolarHBondContact O-N 3.5Å; C336-C340 VanDerWaalsContact O-N 3.11Å; C336-L343 HydrophobicContact CB-CD1 3.99Å; C336-F350 HydrophobicContact CB-CZ 4.4Å; C336-F486 HydrophobicContact CB-CZ 3.84Å
337	K	90.1	Very high	90.9	Very high	139 Å²	139	46.5 Å²	46.5	60%	0.604	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-52.4	-43.7	-176.4	-177.1	177.9	-176.5	178.8	0	114.2	I333 Y339 C340 F350	I333-K337 VanDerWaalsContact O-CB 3.3Å; I333-K337 WeakPolarHBondContact O-CB 3.39Å; I333-K337 PolarHBondContact O-N 3.03Å; K337-Y339 PolarHBondContact O-N 2.65Å; K337-Y339 VanDerWaalsContact O-N 3.15Å; K337-C340 PolarHBondContact O-N 3.32Å; K337-C340 PolarHBondContact O-SG 3.43Å; K337-C340 VanDerWaalsContact O-SG 3.4Å; K337-F350 HydrophobicContact CB-CE1 4.26Å; K337-F350 HydrophobicContact CB-CZ 4.28Å
338	P	91	Very high	90.1	Very high	98 Å²	98	47.3 Å²	47.3	64%	0.636	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-64.8	-16.5	177.6	-21.1	33.8	0	0	0	114.4	T334 M335 C336	T334-P338 WeakPolarHBondContact O-CD 3.08Å; M335-P338 WeakPolarHBondContact O-CD 3.24Å; C336-P338 VanDerWaalsContact C-CD 3.47Å
339	Y	91.7	Very high	89	Confident	62 Å²	62	48.7 Å²	48.7	24%	0.243	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-118.5	13.8	-175.5	-53.9	-72.4	0	0	0	112.3	F279 L288 C336 K337 E341 K342	F279-Y339 HydrophobicContact CE1-CD1 4.34Å; F279-Y339 HydrophobicContact CE1-CG 4.1Å; F279-Y339 AromaticContact CE2-CD1 3.85Å; F279-Y339 HydrophobicContact CE2-CD1 3.85Å; F279-Y339 HydrophobicContact CE2-CE1 4.2Å; F279-Y339 HydrophobicContact CE2-CG 4.42Å; F279-Y339 AromaticContact CZ-CD1 3.39Å; F279-Y339 HydrophobicContact CZ-CD1 3.39Å; F279-Y339 HydrophobicContact CZ-CD2 4.17Å; F279-Y339 AromaticContact CZ-CE1 3.86Å; F279-Y339 HydrophobicContact CZ-CE1 3.86Å; F279-Y339 AromaticContact CZ-CG 3.54Å; F279-Y339 HydrophobicContact CZ-CG 3.54Å; L288-Y339 HydrophobicContact CD2-CD2 3.59Å; L288-Y339 HydrophobicContact CD2-CE2 3.98Å; L288-Y339 HydrophobicContact CD2-CG 4.29Å; C336-Y339 CarbonylContact O-C 3.4Å; C336-Y339 WeakPolarHBondContact O-CA 3.32Å; C336-Y339 PolarHBondContact O-N 2.98Å; K337-Y339 PolarHBondContact O-N 2.65Å; K337-Y339 VanDerWaalsContact O-N 3.15Å; Y339-E341 VanDerWaalsContact C-N 3.27Å; Y339-E341 PolarHBondContact O-N 2.94Å; Y339-K342 PolarHBondContact O-N 2.87Å
340	C	88.2	Confident	88	Confident	37 Å²	37	51.1 Å²	51.1	25%	0.25	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-54.9	-41.1	-171.3	61.4	0	0	0	0	112.6	C336 K337 K342 L343 Q347 F350	C336-C340 PolarHBondContact O-N 3.5Å; C336-C340 VanDerWaalsContact O-N 3.11Å; K337-C340 PolarHBondContact O-N 3.32Å; K337-C340 PolarHBondContact O-SG 3.43Å; K337-C340 VanDerWaalsContact O-SG 3.4Å; C340-K342 PolarHBondContact O-N 3.44Å; C340-K342 VanDerWaalsContact O-N 3.11Å; C340-L343 PolarHBondContact O-N 3.24Å; C340-Q347 VanDerWaalsContact O-CB 3.27Å; C340-Q347 WeakPolarHBondContact O-CB 3.47Å; C340-F350 HydrophobicContact CB-CD2 3.73Å; C340-F350 HydrophobicContact CB-CE2 3.83Å; C340-F350 HydrophobicContact CB-CG 4.41Å
341	E	88.2	Confident	86.8	Confident	169 Å²	169	55.1 Å²	55.1	79%	0.79	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-60.2	-23.5	179.3	-62.8	-176.6	167.9	0	0	114	Y339	Y339-E341 VanDerWaalsContact C-N 3.27Å; Y339-E341 PolarHBondContact O-N 2.94Å
342	K	90.2	Very high	85.5	Confident	118 Å²	118	55.9 Å²	55.9	51%	0.513	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-92.6	-10.6	179.5	-61.5	-174.5	177.9	-174.6	0	113.1	A276 F279 Y339 C340	A276-K342 VanDerWaalsContact CA-O 3.3Å; A276-K342 WeakPolarHBondContact CA-O 3.32Å; A276-K342 VanDerWaalsContact CB-O 3.31Å; A276-K342 WeakPolarHBondContact CB-O 3.4Å; F279-K342 HydrophobicContact CD2-CD 3.64Å; F279-K342 HydrophobicContact CE2-CD 3.96Å; F279-K342 HydrophobicContact CG-CB 4.34Å; F279-K342 HydrophobicContact CG-CD 4.13Å; Y339-K342 PolarHBondContact O-N 2.87Å; C340-K342 PolarHBondContact O-N 3.44Å; C340-K342 VanDerWaalsContact O-N 3.11Å
343	L	91.4	Very high	84	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-112.4	81.3	-169.9	-62.5	177	0	0	0	110.5	A276 F279 F280 C336 C340 V346 Q347 I490	A276-L343 HydrophobicContact CB-CD2 4.4Å; F279-L343 HydrophobicContact CD1-CD2 3.92Å; F279-L343 HydrophobicContact CE1-CD2 4.27Å; F280-L343 HydrophobicContact CD2-CD2 4.45Å; F280-L343 HydrophobicContact CE1-CD2 4.34Å; F280-L343 HydrophobicContact CE2-CD2 3.61Å; F280-L343 HydrophobicContact CZ-CD2 3.55Å; C336-L343 HydrophobicContact CB-CD1 3.99Å; C340-L343 PolarHBondContact O-N 3.24Å; L343-V346 WeakPolarHBondContact O-CB 3.28Å; L343-V346 PolarHBondContact O-N 3.05Å; L343-V346 VanDerWaalsContact O-N 3.14Å; L343-Q347 PolarHBondContact O-N 3.3Å; L343-I490 HydrophobicContact CD1-CD1 4.03Å
344	Y	90.8	Very high	83.3	Confident	24 Å²	24	66.2 Å²	66.2	9%	0.094	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	140.2	172.6	178.1	-83.1	0	0	0	111.4	I269 R272 R273 Q347 E348 L493	I269-Y344 HydrophobicContact CG2-CE1 3.52Å; I269-Y344 WeakPolarHBondContact CG2-OH 3.4Å; R272-Y344 HydrophobicContact CB-CD1 4.01Å; R272-Y344 HydrophobicContact CB-CD2 4.32Å; R272-Y344 HydrophobicContact CB-CG 3.71Å; R273-Y344 HydrophobicContact CG-CD1 3.89Å; R273-Y344 HydrophobicContact CG-CE1 4.29Å; Y344-Q347 HydrophobicContact CD2-CG 4.33Å; Y344-E348 HydrophobicContact CE2-CG 4.49Å; Y344-E348 WeakPolarHBondContact CE2-OE1 3.35Å; Y344-L493 WeakPolarHBondContact O-CD1 3.31Å
345	P	86.3	Confident	82.8	Confident	13 Å²	13	65.7 Å²	65.7	8%	0.084	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	cis	-85.7	-2.9	4.7	32.4	-33.9	0	0	0	115	W259 Q347 E348 E489	W259-P345 HydrophobicContact CH2-CG 4.49Å; W259-P345 HydrophobicContact CZ2-CG 3.95Å; P345-Q347 PolarHBondContact O-N 3.46Å; P345-Q347 VanDerWaalsContact O-N 3.08Å; P345-E348 WeakPolarHBondContact O-CB 3.38Å; P345-E348 PolarHBondContact O-N 3.45Å; P345-E489 HydrophobicContact CG-CG 4.3Å
346	V	84.7	Confident	82.2	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-55.7	-33.4	-171.1	176.2	0	0	0	0	113.4	L343 E348 L349 F350 F486 E489 I490 L493	L343-V346 WeakPolarHBondContact O-CB 3.28Å; L343-V346 PolarHBondContact O-N 3.05Å; L343-V346 VanDerWaalsContact O-N 3.14Å; V346-E348 PolarHBondContact O-N 3.21Å; V346-E348 VanDerWaalsContact O-N 3.16Å; V346-L349 WeakPolarHBondContact O-CB 3.05Å; V346-L349 PolarHBondContact O-N 3.34Å; V346-L349 VanDerWaalsContact O-N 3.14Å; V346-F350 HydrophobicContact CG1-CD2 4.45Å; V346-F350 HydrophobicContact CG1-CE2 4.14Å; V346-F350 PolarHBondContact O-N 3.1Å; V346-F486 HydrophobicContact CB-CE2 4.47Å; V346-F486 HydrophobicContact CG1-CD2 3.31Å; V346-F486 HydrophobicContact CG1-CE1 4.44Å; V346-F486 HydrophobicContact CG1-CE2 2.98Å; V346-F486 HydrophobicContact CG1-CG 4.17Å; V346-F486 HydrophobicContact CG1-CZ 3.61Å; V346-E489 HydrophobicContact CG2-CB 3.6Å; V346-I490 HydrophobicContact CB-CD1 4.1Å; V346-I490 HydrophobicContact CB-CG1 4.37Å; V346-I490 HydrophobicContact CG1-CD1 3.92Å; V346-I490 HydrophobicContact CG1-CG1 3.95Å; V346-I490 HydrophobicContact CG2-CD1 3.65Å; V346-I490 HydrophobicContact CG2-CG1 3.66Å; V346-L493 HydrophobicContact CG2-CD1 4.37Å
347	Q	78.1	Confident	81.9	Confident	20 Å²	20	68.7 Å²	68.7	9%	0.093	35%	0.352	C	S	.	.	H	α-helix	trans	-50.3	-34.1	171	70.3	170.7	25.7	0	0	113.7	C340 L343 Y344 P345 L349 F350 L351	C340-Q347 VanDerWaalsContact O-CB 3.27Å; C340-Q347 WeakPolarHBondContact O-CB 3.47Å; L343-Q347 PolarHBondContact O-N 3.3Å; Y344-Q347 HydrophobicContact CD2-CG 4.33Å; P345-Q347 PolarHBondContact O-N 3.46Å; P345-Q347 VanDerWaalsContact O-N 3.08Å; Q347-L349 VanDerWaalsContact C-N 3.27Å; Q347-L349 PolarHBondContact O-N 3.07Å; Q347-F350 WeakPolarHBondContact O-CB 3.45Å; Q347-F350 PolarHBondContact O-N 3.38Å; Q347-L351 WeakPolarHBondContact O-CG 3.14Å; Q347-L351 PolarHBondContact O-N 3.36Å; Q347-L351 VanDerWaalsContact O-N 3.12Å
348	E	78.2	Confident	81.9	Confident	74 Å²	74	64.2 Å²	64.2	35%	0.346	33%	0.334	S	S	.	.	H	α-helix	trans	-71.4	-30.9	-174.6	-67.9	-167.6	178	0	0	110	K73 Y344 P345 V346 F350 L351 A352	K73-E348 IonicContact NZ-OE2 3.33Å; Y344-E348 HydrophobicContact CE2-CG 4.49Å; Y344-E348 WeakPolarHBondContact CE2-OE1 3.35Å; P345-E348 WeakPolarHBondContact O-CB 3.38Å; P345-E348 PolarHBondContact O-N 3.45Å; V346-E348 PolarHBondContact O-N 3.21Å; V346-E348 VanDerWaalsContact O-N 3.16Å; E348-F350 VanDerWaalsContact C-N 3.34Å; E348-L351 PolarHBondContact O-N 2.57Å; E348-A352 WeakPolarHBondContact O-CB 3.42Å; E348-A352 PolarHBondContact O-N 2.9Å
349	L	73.1	Confident	81.9	Confident	30 Å²	30	59.5 Å²	59.5	16%	0.157	30%	0.304	C	S	.	.	H	α-helix	trans	-68.2	-34.9	174	-63.6	173.5	0	0	0	111.4	V346 Q347 L351 A352 Q485 F486	V346-L349 WeakPolarHBondContact O-CB 3.05Å; V346-L349 PolarHBondContact O-N 3.34Å; V346-L349 VanDerWaalsContact O-N 3.14Å; Q347-L349 VanDerWaalsContact C-N 3.27Å; Q347-L349 PolarHBondContact O-N 3.07Å; L349-L351 VanDerWaalsContact C-N 3.32Å; L349-A352 PolarHBondContact O-N 2.91Å; L349-Q485 HydrophobicContact CD1-CG 4.39Å; L349-F486 HydrophobicContact CD1-CB 3.84Å; L349-F486 HydrophobicContact CD1-CD2 4.33Å
350	F	73.4	Confident	81.9	Confident	51 Å²	51	57 Å²	57	22%	0.224	30%	0.297	C	S	.	.	H	α-helix	trans	-68.5	-30.6	172.2	-74.3	-71.7	0	0	0	113	I333 C336 K337 C340 V346 Q347 E348 F486	I333-F350 HydrophobicContact CG2-CE1 3.77Å; I333-F350 HydrophobicContact CG2-CZ 4.31Å; C336-F350 HydrophobicContact CB-CZ 4.4Å; K337-F350 HydrophobicContact CB-CE1 4.26Å; K337-F350 HydrophobicContact CB-CZ 4.28Å; C340-F350 HydrophobicContact CB-CD2 3.73Å; C340-F350 HydrophobicContact CB-CE2 3.83Å; C340-F350 HydrophobicContact CB-CG 4.41Å; V346-F350 HydrophobicContact CG1-CD2 4.45Å; V346-F350 HydrophobicContact CG1-CE2 4.14Å; V346-F350 PolarHBondContact O-N 3.1Å; Q347-F350 WeakPolarHBondContact O-CB 3.45Å; Q347-F350 PolarHBondContact O-N 3.38Å; E348-F350 VanDerWaalsContact C-N 3.34Å; F350-F486 HydrophobicContact CD2-CE2 4.03Å; F350-F486 HydrophobicContact CE1-CE2 4.22Å; F350-F486 HydrophobicContact CE2-CD2 4.45Å; F350-F486 AromaticContact CE2-CE2 3.33Å; F350-F486 HydrophobicContact CE2-CE2 3.33Å; F350-F486 AromaticContact CE2-CZ 3.87Å; F350-F486 HydrophobicContact CE2-CZ 3.87Å; F350-F486 AromaticContact CZ-CE2 3.42Å; F350-F486 HydrophobicContact CZ-CE2 3.42Å; F350-F486 VanDerWaalsContact CZ-CE2 3.42Å; F350-F486 AromaticContact CZ-CZ 3.7Å; F350-F486 HydrophobicContact CZ-CZ 3.7Å
351	L	67	Low	82	Confident	147 Å²	147	59 Å²	59	77%	0.77	31%	0.311	S	S	*	.	H	α-helix	trans	-83.7	-19.4	177.4	-64.9	172.3	0	0	0	112.8	Q347 E348 L349	Q347-L351 WeakPolarHBondContact O-CG 3.14Å; Q347-L351 PolarHBondContact O-N 3.36Å; Q347-L351 VanDerWaalsContact O-N 3.12Å; E348-L351 PolarHBondContact O-N 2.57Å; L349-L351 VanDerWaalsContact C-N 3.32Å
352	A	67.5	Low	82.2	Confident	49 Å²	49	51.1 Å²	51.1	41%	0.405	28%	0.275	S	S	.	.	S	Bend	trans	-73.9	173.5	177.5	0	0	0	0	0	112.1	E348 L349 F354	E348-A352 WeakPolarHBondContact O-CB 3.42Å; E348-A352 PolarHBondContact O-N 2.9Å; L349-A352 PolarHBondContact O-N 2.91Å; A352-F354 PolarHBondContact O-N 2.78Å
353	K	64.7	Low	82.4	Confident	211 Å²	211	46.8 Å²	46.8	92%	0.917	26%	0.256	S	S	*	.	S	Bend	trans	-69.9	45.3	172.1	-62.4	-175.7	178.9	-176.9	0	112.7
354	F	77.5	Confident	82.5	Confident	15 Å²	15	50.3 Å²	50.3	7%	0.066	28%	0.28	C	S	.	.			trans	-103.4	112.7	173.7	172.2	-111.7	0	0	0	108.4	I333 A352 P356 I359 S479 Q482 A483	I333-F354 HydrophobicContact CD1-CE1 3.75Å; I333-F354 HydrophobicContact CD1-CZ 3.82Å; A352-F354 PolarHBondContact O-N 2.78Å; F354-P356 HydrophobicContact CE1-CB 4.05Å; F354-P356 HydrophobicContact CZ-CB 4.45Å; F354-P356 VanDerWaalsContact O-CD 3.3Å; F354-P356 WeakPolarHBondContact O-CD 3.33Å; F354-I359 HydrophobicContact CE2-CD1 4.5Å; F354-I359 HydrophobicContact CE2-CG1 4.23Å; F354-I359 HydrophobicContact CZ-CG1 4.04Å; F354-S479 WeakPolarHBondContact CE2-O 3.42Å; F354-Q482 HydrophobicContact CD2-CB 3.72Å; F354-Q482 HydrophobicContact CE2-CB 4.1Å; F354-Q482 HydrophobicContact CG-CB 4.38Å; F354-A483 HydrophobicContact CE2-CB 4.14Å; F354-A483 HydrophobicContact CZ-CB 3.87Å
355	D	80.9	Confident	82.5	Confident	82 Å²	82	51.9 Å²	51.9	44%	0.439	29%	0.286	S	S	.	.			trans	-94.1	107.8	173.6	-179.1	9.3	0	0	0	109.9	A357 I358	D355-A357 PolarHBondContact O-N 3.23Å; D355-A357 VanDerWaalsContact OD1-CB 3.25Å; D355-A357 WeakPolarHBondContact OD1-CB 3.38Å; D355-A357 PolarHBondContact OD1-N 3.46Å; D355-I358 HydrophobicContact CB-CD1 3.92Å; D355-I358 HydrophobicContact CB-CG1 4.05Å; D355-I358 WeakPolarHBondContact O-CB 3.35Å; D355-I358 PolarHBondContact O-N 2.97Å
356	P	80.9	Confident	82.8	Confident	50 Å²	50	51.3 Å²	51.3	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-20.1	178.5	27.1	-34.6	0	0	0	113.1	I333 F354 I358 I359	I333-P356 HydrophobicContact CD1-CB 4.3Å; I333-P356 HydrophobicContact CG2-CB 3.91Å; F354-P356 HydrophobicContact CE1-CB 4.05Å; F354-P356 HydrophobicContact CZ-CB 4.45Å; F354-P356 VanDerWaalsContact O-CD 3.3Å; F354-P356 WeakPolarHBondContact O-CD 3.33Å; P356-I358 PolarHBondContact O-N 3.3Å; P356-I359 PolarHBondContact O-N 3Å; P356-I359 VanDerWaalsContact O-N 3.14Å
357	A	86.6	Confident	83.1	Confident	54 Å²	54	54.2 Å²	54.2	45%	0.446	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-24.6	177.3	0	0	0	0	0	112.6	D355 I359 G360 S361	D355-A357 PolarHBondContact O-N 3.23Å; D355-A357 VanDerWaalsContact OD1-CB 3.25Å; D355-A357 WeakPolarHBondContact OD1-CB 3.38Å; D355-A357 PolarHBondContact OD1-N 3.46Å; A357-I359 VanDerWaalsContact C-N 3.31Å; A357-I359 PolarHBondContact O-N 3.29Å; A357-G360 PolarHBondContact O-N 2.97Å; A357-S361 WeakPolarHBondContact O-CB 3.16Å; A357-S361 PolarHBondContact O-N 2.91Å; A357-S361 PolarHBondContact O-OG 3.25Å
358	I	89.4	Confident	83.8	Confident	44 Å²	44	58.9 Å²	58.9	23%	0.226	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-41.1	174.8	-62.9	174.3	0	0	0	110.4	D355 P356 S361 V362 Y476	D355-I358 HydrophobicContact CB-CD1 3.92Å; D355-I358 HydrophobicContact CB-CG1 4.05Å; D355-I358 WeakPolarHBondContact O-CB 3.35Å; D355-I358 PolarHBondContact O-N 2.97Å; P356-I358 PolarHBondContact O-N 3.3Å; I358-S361 PolarHBondContact O-N 3.24Å; I358-V362 HydrophobicContact CG2-CG2 4.11Å; I358-V362 WeakPolarHBondContact O-CB 3.41Å; I358-V362 WeakPolarHBondContact O-CG2 3.45Å; I358-V362 PolarHBondContact O-N 3.03Å; I358-Y476 HydrophobicContact CG2-CD1 3.48Å; I358-Y476 VanDerWaalsContact CG2-CD1 3.48Å; I358-Y476 HydrophobicContact CG2-CE1 3.88Å; I358-Y476 HydrophobicContact CG2-CG 4.28Å
359	I	90.5	Very high	84.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-46.7	-179.5	-59.3	-57.8	0	0	0	110.6	L326 E330 F354 P356 A357 S361 V362 K363 I480 A483	L326-I359 HydrophobicContact CB-CG2 4.17Å; L326-I359 HydrophobicContact CD2-CD1 4.25Å; L326-I359 HydrophobicContact CD2-CG2 3.98Å; E330-I359 HydrophobicContact CB-CG2 4.4Å; F354-I359 HydrophobicContact CE2-CD1 4.5Å; F354-I359 HydrophobicContact CE2-CG1 4.23Å; F354-I359 HydrophobicContact CZ-CG1 4.04Å; P356-I359 PolarHBondContact O-N 3Å; P356-I359 VanDerWaalsContact O-N 3.14Å; A357-I359 VanDerWaalsContact C-N 3.31Å; A357-I359 PolarHBondContact O-N 3.29Å; I359-S361 VanDerWaalsContact C-N 3.33Å; I359-S361 PolarHBondContact O-N 2.9Å; I359-V362 PolarHBondContact O-N 2.88Å; I359-K363 VanDerWaalsContact O-CB 3.31Å; I359-K363 WeakPolarHBondContact O-CB 3.5Å; I359-K363 PolarHBondContact O-N 3.41Å; I359-I480 HydrophobicContact CD1-CG1 4.4Å; I359-A483 HydrophobicContact CD1-CB 3.9Å; I359-A483 HydrophobicContact CG1-CB 4.1Å
360	G	91.2	Very high	85.2	Confident	9 Å²	9	54.5 Å²	54.5	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-37.8	176	0	0	0	0	0	112.9	A357 S364	A357-G360 PolarHBondContact O-N 2.97Å; G360-S364 WeakPolarHBondContact O-CB 3.39Å; G360-S364 PolarHBondContact O-N 2.93Å; G360-S364 PolarHBondContact O-OG 3.02Å
361	S	91.7	Very high	86	Confident	78 Å²	78	53.5 Å²	53.5	55%	0.545	30%	0.296	S	S	.	.	H	α-helix	trans	-66.3	-46.9	177	-59.2	0	0	0	0	112.1	A357 I358 I359 S364 W365	A357-S361 WeakPolarHBondContact O-CB 3.16Å; A357-S361 PolarHBondContact O-N 2.91Å; A357-S361 PolarHBondContact O-OG 3.25Å; I358-S361 PolarHBondContact O-N 3.24Å; I359-S361 VanDerWaalsContact C-N 3.33Å; I359-S361 PolarHBondContact O-N 2.9Å; S361-S364 PolarHBondContact O-N 3.4Å; S361-W365 WeakPolarHBondContact O-CB 3.42Å; S361-W365 PolarHBondContact O-N 3.03Å
362	V	92.6	Very high	86.9	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-45	176.8	173.9	0	0	0	0	110.1	L326 I358 I359 W365 L366 Y476	L326-V362 HydrophobicContact CD1-CG1 3.98Å; I358-V362 HydrophobicContact CG2-CG2 4.11Å; I358-V362 WeakPolarHBondContact O-CB 3.41Å; I358-V362 WeakPolarHBondContact O-CG2 3.45Å; I358-V362 PolarHBondContact O-N 3.03Å; I359-V362 PolarHBondContact O-N 2.88Å; V362-W365 PolarHBondContact O-N 3.37Å; V362-L366 HydrophobicContact CG1-CD1 4.01Å; V362-L366 HydrophobicContact CG1-CG 4.39Å; V362-L366 VanDerWaalsContact O-CG 3.3Å; V362-L366 WeakPolarHBondContact O-CG 3.23Å; V362-L366 PolarHBondContact O-N 3.32Å; V362-Y476 HydrophobicContact CG2-CD1 4.18Å; V362-Y476 HydrophobicContact CG2-CD2 3.67Å; V362-Y476 HydrophobicContact CG2-CE2 4.08Å; V362-Y476 HydrophobicContact CG2-CG 3.71Å
363	K	93.4	Very high	87.8	Confident	27 Å²	27	52.9 Å²	52.9	12%	0.117	28%	0.283	C	S	.	.	H	α-helix	trans	-57.7	-51.1	175.9	-175.9	-172.5	76.2	-179.2	0	111.8	L326 D327 E330 I359 W365 L366 I367	L326-K363 HydrophobicContact CB-CB 4.26Å; L326-K363 HydrophobicContact CB-CG 4.48Å; D327-K363 HydrophobicContact CB-CD 3.82Å; D327-K363 IonicContact OD1-NZ 3.15Å; D327-K363 PolarHBondContact OD1-NZ 3.39Å; E330-K363 WeakPolarHBondContact OE2-CE 3.37Å; E330-K363 IonicContact OE2-NZ 2.85Å; E330-K363 PolarHBondContact OE2-NZ 3.28Å; I359-K363 VanDerWaalsContact O-CB 3.31Å; I359-K363 WeakPolarHBondContact O-CB 3.5Å; I359-K363 PolarHBondContact O-N 3.41Å; K363-W365 VanDerWaalsContact C-N 3.28Å; K363-W365 PolarHBondContact O-N 2.91Å; K363-L366 PolarHBondContact O-N 3.14Å; K363-I367 HydrophobicContact CD-CD1 4.44Å; K363-I367 HydrophobicContact CG-CD1 3.87Å; K363-I367 WeakPolarHBondContact O-CG1 3.5Å; K363-I367 PolarHBondContact O-N 3.01Å
364	S	93.1	Very high	88.8	Confident	74 Å²	74	46.7 Å²	46.7	52%	0.517	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-40	-178.5	-59.4	0	0	0	0	111.6	G360 S361 H368	G360-S364 WeakPolarHBondContact O-CB 3.39Å; G360-S364 PolarHBondContact O-N 2.93Å; G360-S364 PolarHBondContact O-OG 3.02Å; S361-S364 PolarHBondContact O-N 3.4Å; S364-H368 WeakPolarHBondContact O-CB 3.48Å; S364-H368 PolarHBondContact O-N 3.43Å
365	W	91.5	Very high	89.3	Confident	58 Å²	58	46.2 Å²	46.2	22%	0.22	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-45.6	175.4	172.8	64.6	0	0	0	112.5	S361 V362 K363 I367 H368 V369 L469 R472	S361-W365 WeakPolarHBondContact O-CB 3.42Å; S361-W365 PolarHBondContact O-N 3.03Å; V362-W365 PolarHBondContact O-N 3.37Å; K363-W365 VanDerWaalsContact C-N 3.28Å; K363-W365 PolarHBondContact O-N 2.91Å; W365-I367 VanDerWaalsContact C-N 3.33Å; W365-I367 PolarHBondContact O-N 2.93Å; W365-H368 WeakPolarHBondContact O-CB 2.97Å; W365-H368 PolarHBondContact O-N 2.91Å; W365-H368 VanDerWaalsContact O-N 3.13Å; W365-V369 WeakPolarHBondContact O-CG2 3.49Å; W365-V369 PolarHBondContact O-N 3.43Å; W365-L469 HydrophobicContact CD2-CD1 4.32Å; W365-L469 HydrophobicContact CE3-CD1 4.19Å; W365-L469 HydrophobicContact CH2-CB 4.42Å; W365-L469 HydrophobicContact CH2-CD1 3.06Å; W365-L469 HydrophobicContact CH2-CG 3.82Å; W365-L469 HydrophobicContact CZ2-CD1 3.18Å; W365-L469 HydrophobicContact CZ2-CG 4.34Å; W365-L469 HydrophobicContact CZ3-CD1 3.6Å; W365-L469 HydrophobicContact CZ3-CG 4.25Å; W365-R472 HydrophobicContact CH2-CB 3.69Å; W365-R472 HydrophobicContact CH2-CG 3.67Å; W365-R472 HydrophobicContact CZ2-CB 4.3Å; W365-R472 HydrophobicContact CZ2-CG 4.1Å; W365-R472 HydrophobicContact CZ3-CB 4.44Å; W365-R472 HydrophobicContact CZ3-CG 4.19Å
366	L	92.7	Very high	89.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-43.5	176	-71.4	171.7	0	0	0	112	W319 I322 I323 L326 V362 K363 H368 V369 I370 L469 L473	W319-L366 HydrophobicContact CE3-CD2 4.32Å; W319-L366 HydrophobicContact CZ3-CD2 4.05Å; I322-L366 HydrophobicContact CG2-CD1 4.24Å; I323-L366 HydrophobicContact CD1-CB 4.09Å; I323-L366 HydrophobicContact CG1-CB 3.88Å; I323-L366 HydrophobicContact CG1-CD1 4.18Å; L326-L366 HydrophobicContact CD1-CD1 3.72Å; V362-L366 HydrophobicContact CG1-CD1 4.01Å; V362-L366 HydrophobicContact CG1-CG 4.39Å; V362-L366 VanDerWaalsContact O-CG 3.3Å; V362-L366 WeakPolarHBondContact O-CG 3.23Å; V362-L366 PolarHBondContact O-N 3.32Å; K363-L366 PolarHBondContact O-N 3.14Å; L366-H368 VanDerWaalsContact C-N 3.29Å; L366-H368 PolarHBondContact O-N 3.19Å; L366-V369 PolarHBondContact O-N 2.67Å; L366-I370 HydrophobicContact CD2-CD1 4.37Å; L366-I370 WeakPolarHBondContact O-CB 3.49Å; L366-I370 WeakPolarHBondContact O-CG1 3.3Å; L366-I370 PolarHBondContact O-N 3.2Å; L366-L469 HydrophobicContact CD2-CD1 4.02Å; L366-L469 HydrophobicContact CD2-CD2 3.82Å; L366-L469 HydrophobicContact CD2-CG 3.95Å; L366-L473 HydrophobicContact CD1-CD1 4.07Å; L366-L473 HydrophobicContact CD2-CD1 4.2Å
367	I	91.8	Very high	89.5	Confident	62 Å²	62	52.1 Å²	52.1	32%	0.318	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-34.5	176.8	-67.3	169.5	0	0	0	111.2	I323 K363 W365 R384	I323-I367 HydrophobicContact CD1-CG1 4.41Å; I323-I367 HydrophobicContact CG2-CD1 4.03Å; I323-I367 HydrophobicContact CG2-CG1 3.77Å; K363-I367 HydrophobicContact CD-CD1 4.44Å; K363-I367 HydrophobicContact CG-CD1 3.87Å; K363-I367 WeakPolarHBondContact O-CG1 3.5Å; K363-I367 PolarHBondContact O-N 3.01Å; W365-I367 VanDerWaalsContact C-N 3.33Å; W365-I367 PolarHBondContact O-N 2.93Å; I367-R384 PolarHBondContact O-NE 2.86Å; I367-R384 PolarHBondContact O-NH1 3.41Å; I367-R384 PolarHBondContact O-NH2 3.07Å
368	H	91.4	Very high	89.4	Confident	118 Å²	118	54.3 Å²	54.3	55%	0.546	27%	0.274	S	S	.	.	H	α-helix	trans	-68.6	-35.8	176.5	-173	-60.8	0	0	0	112.1	S364 W365 L366	S364-H368 WeakPolarHBondContact O-CB 3.48Å; S364-H368 PolarHBondContact O-N 3.43Å; W365-H368 WeakPolarHBondContact O-CB 2.97Å; W365-H368 PolarHBondContact O-N 2.91Å; W365-H368 VanDerWaalsContact O-N 3.13Å; L366-H368 VanDerWaalsContact C-N 3.29Å; L366-H368 PolarHBondContact O-N 3.19Å
369	V	90.9	Very high	89	Confident	11 Å²	11	58.6 Å²	58.6	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-84.2	-40.6	-176.5	177.6	0	0	0	0	112.2	W365 L366 R384 V387 I465 L469	W365-V369 WeakPolarHBondContact O-CG2 3.49Å; W365-V369 PolarHBondContact O-N 3.43Å; L366-V369 PolarHBondContact O-N 2.67Å; V369-R384 PolarHBondContact O-N 2.84Å; V369-V387 HydrophobicContact CG1-CG1 4.38Å; V369-I465 HydrophobicContact CG1-CG2 4.12Å; V369-L469 HydrophobicContact CB-CD1 4.08Å; V369-L469 HydrophobicContact CG1-CD1 3.93Å; V369-L469 HydrophobicContact CG1-CD2 4.44Å; V369-L469 HydrophobicContact CG2-CD1 4.16Å
370	I	90.4	Very high	88.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-98.9	131.8	-170.3	-50	179	0	0	0	111.2	W319 I323 L366 T372 F381 L469	W319-I370 HydrophobicContact CB-CD1 3.83Å; W319-I370 HydrophobicContact CD2-CD1 3.85Å; W319-I370 HydrophobicContact CE3-CD1 3.65Å; W319-I370 HydrophobicContact CG-CD1 3.97Å; W319-I370 HydrophobicContact CZ3-CD1 4.46Å; I323-I370 HydrophobicContact CD1-CD1 4.23Å; L366-I370 HydrophobicContact CD2-CD1 4.37Å; L366-I370 WeakPolarHBondContact O-CB 3.49Å; L366-I370 WeakPolarHBondContact O-CG1 3.3Å; L366-I370 PolarHBondContact O-N 3.2Å; I370-T372 HydrophobicContact CG2-CG2 4.34Å; I370-T372 PolarHBondContact O-N 3.14Å; I370-F381 HydrophobicContact CD1-CE2 3.73Å; I370-F381 HydrophobicContact CD1-CZ 4.46Å; I370-F381 HydrophobicContact CG1-CE2 3.69Å; I370-F381 HydrophobicContact CG1-CZ 4.01Å; I370-F381 HydrophobicContact CG2-CE2 4.3Å; I370-L469 HydrophobicContact CD1-CD2 3.64Å; I370-L469 HydrophobicContact CG1-CD2 3.81Å
371	D	89.9	Confident	88.5	Confident	31 Å²	31	61.6 Å²	61.6	17%	0.166	30%	0.302	C	S	.	.			trans	-85.6	93.6	163.1	-171	-27.7	0	0	0	109.3	E373 K374 T375 V382	D371-E373 VanDerWaalsContact C-N 3.29Å; D371-E373 PolarHBondContact O-N 3.23Å; D371-E373 PolarHBondContact OD1-N 2.77Å; D371-K374 HydrophobicContact CB-CB 4.21Å; D371-K374 PolarHBondContact OD1-N 3.32Å; D371-K374 VanDerWaalsContact OD2-CD 3.23Å; D371-K374 WeakPolarHBondContact OD2-CD 3.48Å; D371-K374 WeakPolarHBondContact OD2-CE 3.11Å; D371-K374 WeakPolarHBondContact OD2-CG 3.44Å; D371-T375 WeakPolarHBondContact O-CB 3.47Å; D371-T375 PolarHBondContact O-N 2.86Å; D371-T375 PolarHBondContact O-OG1 2.83Å; D371-V382 HydrophobicContact CB-CG1 4.29Å; D371-V382 PolarHBondContact N-O 3.2Å
372	T	85.4	Confident	88.3	Confident	44 Å²	44	58.3 Å²	58.3	27%	0.27	28%	0.278	S	S	.	.	H	α-helix	trans	-64.7	-31.4	-175.3	50.6	0	0	0	0	113.2	I323 I370 E376	I323-T372 HydrophobicContact CD1-CG2 3.64Å; I370-T372 HydrophobicContact CG2-CG2 4.34Å; I370-T372 PolarHBondContact O-N 3.14Å; T372-E376 PolarHBondContact O-N 3.38Å
373	E	86.9	Confident	88.1	Confident	139 Å²	139	58.5 Å²	58.5	65%	0.65	28%	0.279	S	S	*	.	H	α-helix	trans	-74.3	-45	-178.7	-66	-174.8	-174.9	0	0	111.2	D371 K377	D371-E373 VanDerWaalsContact C-N 3.29Å; D371-E373 PolarHBondContact O-N 3.23Å; D371-E373 PolarHBondContact OD1-N 2.77Å; E373-K377 WeakPolarHBondContact O-CG 3.48Å; E373-K377 PolarHBondContact O-N 3Å
374	K	86.4	Confident	87.9	Confident	81 Å²	81	61.8 Å²	61.8	35%	0.352	29%	0.291	S	S	.	.	H	α-helix	trans	-68.3	-40.6	174.9	-71	-171.8	-172.5	179.4	0	112	D371 E376 K377 E378 V382	D371-K374 HydrophobicContact CB-CB 4.21Å; D371-K374 PolarHBondContact OD1-N 3.32Å; D371-K374 VanDerWaalsContact OD2-CD 3.23Å; D371-K374 WeakPolarHBondContact OD2-CD 3.48Å; D371-K374 WeakPolarHBondContact OD2-CE 3.11Å; D371-K374 WeakPolarHBondContact OD2-CG 3.44Å; K374-E376 PolarHBondContact O-N 3.48Å; K374-K377 PolarHBondContact O-N 3.34Å; K374-K377 VanDerWaalsContact O-N 3.13Å; K374-E378 WeakPolarHBondContact O-CB 3.28Å; K374-E378 PolarHBondContact O-N 2.98Å; K374-V382 HydrophobicContact CB-CB 3.98Å; K374-V382 HydrophobicContact CB-CG1 3.88Å; K374-V382 HydrophobicContact CB-CG2 4.11Å; K374-V382 HydrophobicContact CD-CG1 3.98Å
375	T	87.2	Confident	87.6	Confident	5 Å²	5	66.3 Å²	66.3	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-56	-37.4	179.3	-66.1	0	0	0	0	112	P316 D371 Q379 R380 V382	P316-T375 HydrophobicContact CB-CG2 3.94Å; D371-T375 WeakPolarHBondContact O-CB 3.47Å; D371-T375 PolarHBondContact O-N 2.86Å; D371-T375 PolarHBondContact O-OG1 2.83Å; T375-Q379 WeakPolarHBondContact O-CA 3.41Å; T375-Q379 PolarHBondContact O-N 3.07Å; T375-Q379 VanDerWaalsContact O-N 3.17Å; T375-R380 WeakPolarHBondContact CA-O 3.38Å; T375-R380 WeakPolarHBondContact CG2-O 3.31Å; T375-R380 PolarHBondContact O-N 3.4Å; T375-V382 PolarHBondContact OG1-N 3.4Å; T375-V382 PolarHBondContact OG1-O 3.29Å
376	E	82.6	Confident	87.3	Confident	85 Å²	85	66.4 Å²	66.4	40%	0.397	32%	0.315	S	S	.	.	H	α-helix	trans	-75.6	-44.5	176.5	-178.8	166.5	-161.6	0	0	113	R320 T372 K374 E378 Q379	R320-E376 IonicContact CZ-OE1 2.77Å; R320-E376 VanDerWaalsContact CZ-OE1 3.23Å; R320-E376 IonicContact CZ-OE2 3.67Å; R320-E376 IonicContact NE-OE2 3.03Å; R320-E376 IonicContact NH1-OE1 3.9Å; R320-E376 PolarHBondContact NH1-OE1 3.46Å; R320-E376 IonicContact NH1-OE2 2.65Å; R320-E376 PolarHBondContact NH1-OE2 2.87Å; R320-E376 IonicContact NH2-OE1 3.74Å; R320-E376 PolarHBondContact NH2-OE1 3.31Å; T372-E376 PolarHBondContact O-N 3.38Å; K374-E376 PolarHBondContact O-N 3.48Å; E376-E378 VanDerWaalsContact C-N 3.32Å; E376-E378 PolarHBondContact O-N 2.74Å; E376-Q379 PolarHBondContact O-N 3.25Å; E376-Q379 PolarHBondContact O-NE2 3.18Å
377	K	84.8	Confident	87	Confident	171 Å²	171	68.8 Å²	68.8	74%	0.743	33%	0.33	S	S	*	.	H	α-helix	trans	-62.5	-40.8	179.7	-74	176.6	-178	173.1	0	112.1	E373 K374	E373-K377 WeakPolarHBondContact O-CG 3.48Å; E373-K377 PolarHBondContact O-N 3Å; K374-K377 PolarHBondContact O-N 3.34Å; K374-K377 VanDerWaalsContact O-N 3.13Å
378	E	83.7	Confident	86.8	Confident	100 Å²	100	68.1 Å²	68.1	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-89.3	-8.8	-176.6	-64.1	-177.1	-157.7	0	0	113.1	K374 E376 R380 V382	K374-E378 WeakPolarHBondContact O-CB 3.28Å; K374-E378 PolarHBondContact O-N 2.98Å; E376-E378 VanDerWaalsContact C-N 3.32Å; E376-E378 PolarHBondContact O-N 2.74Å; E378-R380 HydrophobicContact CB-CB 4.32Å; E378-R380 PolarHBondContact O-N 3.33Å; E378-R380 VanDerWaalsContact O-N 3.13Å; E378-R380 IonicContact OE2-CZ 2.68Å; E378-R380 IonicContact OE2-NH2 3.58Å; E378-V382 HydrophobicContact CB-CG2 4.48Å
379	Q	81.5	Confident	86.7	Confident	134 Å²	134	67.4 Å²	67.4	63%	0.626	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	32.7	-172.1	-62.8	-68.9	-58	0	0	112.4	P316 T375 E376	P316-Q379 WeakPolarHBondContact CG-O 3.37Å; T375-Q379 WeakPolarHBondContact O-CA 3.41Å; T375-Q379 PolarHBondContact O-N 3.07Å; T375-Q379 VanDerWaalsContact O-N 3.17Å; E376-Q379 PolarHBondContact O-N 3.25Å; E376-Q379 PolarHBondContact O-NE2 3.18Å
380	R	84.1	Confident	86.5	Confident	63 Å²	63	70.1 Å²	70.1	24%	0.238	35%	0.347	C	S	.	.	S	Bend	trans	-138.6	148.5	-178.2	-168.5	178.7	86.2	-153.8	-0.4	108.6	T375 E378 V382 E462	T375-R380 WeakPolarHBondContact CA-O 3.38Å; T375-R380 WeakPolarHBondContact CG2-O 3.31Å; T375-R380 PolarHBondContact O-N 3.4Å; E378-R380 HydrophobicContact CB-CB 4.32Å; E378-R380 PolarHBondContact O-N 3.33Å; E378-R380 VanDerWaalsContact O-N 3.13Å; E378-R380 IonicContact OE2-CZ 2.68Å; E378-R380 IonicContact OE2-NH2 3.58Å; R380-V382 PolarHBondContact O-N 3.45Å; R380-E462 IonicContact CZ-OE2 3.08Å; R380-E462 IonicContact NE-OE2 3.66Å; R380-E462 PolarHBondContact NE-OE2 2.82Å; R380-E462 IonicContact NH2-OE1 2.67Å; R380-E462 PolarHBondContact NH2-OE1 3.08Å; R380-E462 IonicContact NH2-OE2 3.98Å; R380-E462 PolarHBondContact NH2-OE2 2.97Å
381	F	86.8	Confident	86.4	Confident	9 Å²	9	70.2 Å²	70.2	4%	0.039	35%	0.348	C	S	.	.			trans	-67	117.2	174.4	178.7	-94.2	0	0	0	110.1	W319 I370 V383 E462 I465 M466 L469	W319-F381 AromaticContact CD1-CD2 3.56Å; W319-F381 HydrophobicContact CD2-CD2 4.31Å; W319-F381 HydrophobicContact CD2-CE2 4.08Å; W319-F381 AromaticContact CE2-CD2 3.94Å; W319-F381 AromaticContact CE2-CE2 3.86Å; W319-F381 HydrophobicContact CG-CD2 4.08Å; W319-F381 HydrophobicContact CG-CE2 4.21Å; W319-F381 HydrophobicContact CZ2-CE2 4.32Å; W319-F381 AromaticContact NE1-CD2 3.43Å; W319-F381 AromaticContact NE1-CE2 3.85Å; I370-F381 HydrophobicContact CD1-CE2 3.73Å; I370-F381 HydrophobicContact CD1-CZ 4.46Å; I370-F381 HydrophobicContact CG1-CE2 3.69Å; I370-F381 HydrophobicContact CG1-CZ 4.01Å; I370-F381 HydrophobicContact CG2-CE2 4.3Å; F381-V383 HydrophobicContact CD1-CG2 4.19Å; F381-V383 HydrophobicContact CE1-CG2 3.57Å; F381-V383 HydrophobicContact CZ-CG2 4.43Å; F381-E462 HydrophobicContact CD1-CB 4.41Å; F381-E462 VanDerWaalsContact O-CD 3.29Å; F381-E462 VanDerWaalsContact O-OE2 3.12Å; F381-I465 HydrophobicContact CE1-CG2 4.36Å; F381-M466 HydrophobicContact CB-SD 4.18Å; F381-M466 HydrophobicContact CD1-CB 3.74Å; F381-M466 HydrophobicContact CD1-CG 4.25Å; F381-M466 HydrophobicContact CD2-CB 4.42Å; F381-M466 HydrophobicContact CD2-CG 4.08Å; F381-M466 HydrophobicContact CE1-CB 3.76Å; F381-M466 HydrophobicContact CE1-CG 4.42Å; F381-M466 HydrophobicContact CE2-CB 4.42Å; F381-M466 HydrophobicContact CE2-CG 4.24Å; F381-M466 HydrophobicContact CG-CB 4.07Å; F381-M466 HydrophobicContact CG-CG 4.06Å; F381-M466 HydrophobicContact CG-SD 4.29Å; F381-M466 HydrophobicContact CZ-CB 4.12Å; F381-M466 HydrophobicContact CZ-CG 4.42Å; F381-L469 HydrophobicContact CE2-CD2 3.88Å; F381-L469 HydrophobicContact CZ-CD2 3.83Å
382	V	86.6	Confident	86.3	Confident	8 Å²	8	70.1 Å²	70.1	5%	0.048	35%	0.347	C	S	.	.			trans	-115.5	127.7	-179.6	-178.4	0	0	0	0	110.2	D371 K374 T375 E378 R380	D371-V382 HydrophobicContact CB-CG1 4.29Å; D371-V382 PolarHBondContact N-O 3.2Å; K374-V382 HydrophobicContact CB-CB 3.98Å; K374-V382 HydrophobicContact CB-CG1 3.88Å; K374-V382 HydrophobicContact CB-CG2 4.11Å; K374-V382 HydrophobicContact CD-CG1 3.98Å; T375-V382 PolarHBondContact OG1-N 3.4Å; T375-V382 PolarHBondContact OG1-O 3.29Å; E378-V382 HydrophobicContact CB-CG2 4.48Å; R380-V382 PolarHBondContact O-N 3.45Å
383	V	89.5	Confident	86.5	Confident	8 Å²	8	74.2 Å²	74.2	5%	0.048	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-83.5	141.1	178.3	179.5	0	0	0	0	110	F381 V387 L391 E462 I465	F381-V383 HydrophobicContact CD1-CG2 4.19Å; F381-V383 HydrophobicContact CE1-CG2 3.57Å; F381-V383 HydrophobicContact CZ-CG2 4.43Å; V383-V387 HydrophobicContact CG1-CB 3.64Å; V383-V387 HydrophobicContact CG1-CG1 3.85Å; V383-V387 HydrophobicContact CG1-CG2 4.02Å; V383-L391 HydrophobicContact CB-CD2 3.7Å; V383-L391 HydrophobicContact CG1-CD2 4.1Å; V383-L391 HydrophobicContact CG2-CD2 4Å; V383-E462 HydrophobicContact CG2-CG 4.15Å; V383-I465 HydrophobicContact CG1-CD1 4.35Å; V383-I465 HydrophobicContact CG2-CB 4.18Å; V383-I465 HydrophobicContact CG2-CD1 3.99Å; V383-I465 HydrophobicContact CG2-CG2 3.83Å
384	R	89.6	Confident	86.5	Confident	97 Å²	97	72 Å²	72	37%	0.366	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-70.1	145.7	176.2	-173.1	176.5	-73.3	-172.3	-2.6	110.9	I367 V369 V387	I367-R384 PolarHBondContact O-NE 2.86Å; I367-R384 PolarHBondContact O-NH1 3.41Å; I367-R384 PolarHBondContact O-NH2 3.07Å; V369-R384 PolarHBondContact O-N 2.84Å; R384-V387 HydrophobicContact CB-CG2 4.29Å; R384-V387 WeakPolarHBondContact O-CB 3.13Å; R384-V387 VanDerWaalsContact O-CG2 3.24Å; R384-V387 WeakPolarHBondContact O-CG2 3.44Å; R384-V387 PolarHBondContact O-N 3.31Å
385	R	86.1	Confident	86.5	Confident	169 Å²	169	70 Å²	70	64%	0.638	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	141	175	-69.9	-171.8	172.6	-176	-2.7	111.9	D392	R385-D392 WeakPolarHBondContact CA-OD1 3.35Å
386	G	86	Confident	86.5	Confident	59 Å²	59	75.3 Å²	75.3	61%	0.608	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	-2.2	179.6	0	0	0	0	0	115	D392	G386-D392 WeakPolarHBondContact CA-OD2 3.25Å; G386-D392 PolarHBondContact N-OD2 3.46Å
387	V	85	Confident	86.7	Confident	51 Å²	51	73.6 Å²	73.6	31%	0.309	36%	0.36	S	S	.	.	S	Bend	trans	-79.6	-43.9	174.9	176.9	0	0	0	0	110.9	V369 V383 R384	V369-V387 HydrophobicContact CG1-CG1 4.38Å; V383-V387 HydrophobicContact CG1-CB 3.64Å; V383-V387 HydrophobicContact CG1-CG1 3.85Å; V383-V387 HydrophobicContact CG1-CG2 4.02Å; R384-V387 HydrophobicContact CB-CG2 4.29Å; R384-V387 WeakPolarHBondContact O-CB 3.13Å; R384-V387 VanDerWaalsContact O-CG2 3.24Å; R384-V387 WeakPolarHBondContact O-CG2 3.44Å; R384-V387 PolarHBondContact O-N 3.31Å
388	D	88.2	Confident	86.7	Confident	48 Å²	48	69.6 Å²	69.6	26%	0.257	34%	0.341	S	S	.	.			trans	-134.6	117	-179.4	-173.4	-67.3	0	0	0	110.7	T390 L391 D392 I465	D388-T390 VanDerWaalsContact C-N 3.3Å; D388-T390 PolarHBondContact O-N 2.81Å; D388-T390 WeakPolarHBondContact OD1-CA 3.35Å; D388-T390 WeakPolarHBondContact OD1-CB 3.42Å; D388-T390 PolarHBondContact OD1-N 2.97Å; D388-T390 PolarHBondContact OD1-OG1 3.3Å; D388-L391 HydrophobicContact CB-CB 3.89Å; D388-L391 PolarHBondContact O-N 3.42Å; D388-L391 PolarHBondContact OD1-N 2.84Å; D388-D392 VanDerWaalsContact O-CG 3.28Å; D388-D392 PolarHBondContact O-N 3.32Å; D388-I465 HydrophobicContact CB-CD1 3.95Å
389	T	88.4	Confident	86.9	Confident	103 Å²	103	67.7 Å²	67.7	63%	0.632	34%	0.343	S	S	*	.	H	α-helix	trans	-69.6	-25.1	-175	63.2	0	0	0	0	114	K393	T389-K393 WeakPolarHBondContact O-CG 3.49Å; T389-K393 PolarHBondContact O-N 3.35Å
390	T	88.5	Confident	87.2	Confident	67 Å²	67	65 Å²	65	41%	0.411	34%	0.338	S	S	.	.	H	α-helix	trans	-78.8	-42.8	177.9	50.4	0	0	0	0	111.2	D388 D392 K393 W394	D388-T390 VanDerWaalsContact C-N 3.3Å; D388-T390 PolarHBondContact O-N 2.81Å; D388-T390 WeakPolarHBondContact OD1-CA 3.35Å; D388-T390 WeakPolarHBondContact OD1-CB 3.42Å; D388-T390 PolarHBondContact OD1-N 2.97Å; D388-T390 PolarHBondContact OD1-OG1 3.3Å; T390-D392 VanDerWaalsContact C-N 3.33Å; T390-D392 PolarHBondContact O-N 3.15Å; T390-K393 PolarHBondContact O-N 3.01Å; T390-W394 PolarHBondContact O-N 2.78Å; T390-W394 VanDerWaalsContact O-N 3.08Å
391	L	86.5	Confident	87.2	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-61.8	-40.6	173	-176.9	60.6	0	0	0	111.8	V383 D388 K393 W394 N395 I458 A461 E462 I465	V383-L391 HydrophobicContact CB-CD2 3.7Å; V383-L391 HydrophobicContact CG1-CD2 4.1Å; V383-L391 HydrophobicContact CG2-CD2 4Å; D388-L391 HydrophobicContact CB-CB 3.89Å; D388-L391 PolarHBondContact O-N 3.42Å; D388-L391 PolarHBondContact OD1-N 2.84Å; L391-K393 PolarHBondContact O-N 2.8Å; L391-W394 PolarHBondContact O-N 3.07Å; L391-N395 WeakPolarHBondContact O-CB 3.28Å; L391-N395 PolarHBondContact O-N 3.46Å; L391-N395 PolarHBondContact O-ND2 3.39Å; L391-I458 HydrophobicContact CD1-CB 4.22Å; L391-I458 HydrophobicContact CD1-CG1 4.29Å; L391-I458 HydrophobicContact CD1-CG2 3.93Å; L391-A461 HydrophobicContact CD1-CB 4.14Å; L391-E462 HydrophobicContact CD1-CG 4.22Å; L391-E462 HydrophobicContact CD2-CG 4.03Å; L391-I465 HydrophobicContact CD2-CD1 3.98Å
392	D	88.7	Confident	87.2	Confident	29 Å²	29	65.4 Å²	65.4	16%	0.155	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-43.6	175.7	-75.1	-27.9	0	0	0	111.7	R385 G386 D388 T390 W394 N395 E396	R385-D392 WeakPolarHBondContact CA-OD1 3.35Å; G386-D392 WeakPolarHBondContact CA-OD2 3.25Å; G386-D392 PolarHBondContact N-OD2 3.46Å; D388-D392 VanDerWaalsContact O-CG 3.28Å; D388-D392 PolarHBondContact O-N 3.32Å; T390-D392 VanDerWaalsContact C-N 3.33Å; T390-D392 PolarHBondContact O-N 3.15Å; D392-W394 PolarHBondContact O-N 2.98Å; D392-N395 PolarHBondContact O-N 3.2Å; D392-E396 WeakPolarHBondContact O-CG 3.35Å; D392-E396 PolarHBondContact O-N 3.37Å
393	K	89	Confident	87.2	Confident	130 Å²	130	70.1 Å²	70.1	57%	0.565	37%	0.374	S	S	*	.	H	α-helix	trans	-62.5	-41.2	175.4	-73.5	173.3	-177.8	177.2	0	112.6	T389 T390 L391 E396 T397	T389-K393 WeakPolarHBondContact O-CG 3.49Å; T389-K393 PolarHBondContact O-N 3.35Å; T390-K393 PolarHBondContact O-N 3.01Å; L391-K393 PolarHBondContact O-N 2.8Å; K393-E396 PolarHBondContact O-N 3.49Å; K393-T397 WeakPolarHBondContact O-CB 3.38Å; K393-T397 PolarHBondContact O-N 2.97Å; K393-T397 PolarHBondContact O-OG1 2.66Å
394	W	86.8	Confident	87.1	Confident	93 Å²	93	72 Å²	72	35%	0.352	38%	0.384	S	S	.	.	H	α-helix	trans	-67.6	-40.7	176.1	-67.4	-33.9	0	0	0	111.7	T390 L391 D392 E396 T397 Y398 V454 A457 I458 A461	T390-W394 PolarHBondContact O-N 2.78Å; T390-W394 VanDerWaalsContact O-N 3.08Å; L391-W394 PolarHBondContact O-N 3.07Å; D392-W394 PolarHBondContact O-N 2.98Å; W394-E396 VanDerWaalsContact C-N 3.34Å; W394-E396 PolarHBondContact O-N 3.44Å; W394-T397 PolarHBondContact O-N 2.79Å; W394-Y398 WeakPolarHBondContact O-CB 3.13Å; W394-Y398 PolarHBondContact O-N 3.33Å; W394-V454 HydrophobicContact CB-CG1 4.21Å; W394-A457 HydrophobicContact CD2-CB 4.08Å; W394-A457 HydrophobicContact CE3-CB 4.03Å; W394-A457 HydrophobicContact CH2-CB 4.16Å; W394-A457 HydrophobicContact CZ2-CB 4.2Å; W394-A457 HydrophobicContact CZ3-CB 4.08Å; W394-I458 HydrophobicContact CB-CD1 4.16Å; W394-I458 HydrophobicContact CB-CG1 3.63Å; W394-A461 HydrophobicContact CE3-CB 4.43Å; W394-A461 HydrophobicContact CZ3-CB 3.82Å
395	N	86.8	Confident	87	Confident	39 Å²	39	68.4 Å²	68.4	21%	0.209	37%	0.372	C	S	.	.	H	α-helix	trans	-61.3	-40.2	173.9	-81	-41.5	0	0	0	112.3	L391 D392 A399	L391-N395 WeakPolarHBondContact O-CB 3.28Å; L391-N395 PolarHBondContact O-N 3.46Å; L391-N395 PolarHBondContact O-ND2 3.39Å; D392-N395 PolarHBondContact O-N 3.2Å; N395-A399 VanDerWaalsContact O-CB 3.26Å; N395-A399 WeakPolarHBondContact O-CB 3.4Å; N395-A399 PolarHBondContact O-N 3.42Å
396	E	88.2	Confident	87	Confident	116 Å²	116	63.7 Å²	63.7	54%	0.542	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-45	173.2	-75.3	175.3	-178	0	0	111.7	D392 K393 W394 Y398 A399 C400	D392-E396 WeakPolarHBondContact O-CG 3.35Å; D392-E396 PolarHBondContact O-N 3.37Å; K393-E396 PolarHBondContact O-N 3.49Å; W394-E396 VanDerWaalsContact C-N 3.34Å; W394-E396 PolarHBondContact O-N 3.44Å; E396-Y398 VanDerWaalsContact C-N 3.34Å; E396-Y398 PolarHBondContact O-N 3.08Å; E396-A399 PolarHBondContact O-N 2.86Å; E396-C400 PolarHBondContact O-N 2.74Å; E396-C400 VanDerWaalsContact O-N 3.1Å; E396-C400 PolarHBondContact O-SG 3.41Å
397	T	86.1	Confident	87.1	Confident	49 Å²	49	66.7 Å²	66.7	30%	0.301	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-46.7	177	-54.9	0	0	0	0	110.5	K393 W394 C400 L401 Y451 V454	K393-T397 WeakPolarHBondContact O-CB 3.38Å; K393-T397 PolarHBondContact O-N 2.97Å; K393-T397 PolarHBondContact O-OG1 2.66Å; W394-T397 PolarHBondContact O-N 2.79Å; T397-C400 PolarHBondContact O-N 2.87Å; T397-L401 WeakPolarHBondContact O-CG 3.42Å; T397-L401 PolarHBondContact O-N 3.49Å; T397-Y451 HydrophobicContact CG2-CD1 3.72Å; T397-Y451 HydrophobicContact CG2-CE1 3.7Å; T397-V454 HydrophobicContact CG2-CG2 4.43Å
398	Y	85.6	Confident	87.2	Confident	87 Å²	87	66 Å²	66	34%	0.341	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-41.1	178.1	-175.6	-104.4	0	0	0	112.3	W394 E396 C400 L401 Y427 M455 I458	W394-Y398 WeakPolarHBondContact O-CB 3.13Å; W394-Y398 PolarHBondContact O-N 3.33Å; E396-Y398 VanDerWaalsContact C-N 3.34Å; E396-Y398 PolarHBondContact O-N 3.08Å; Y398-C400 PolarHBondContact O-N 3.37Å; Y398-L401 HydrophobicContact CD2-CD1 3.64Å; Y398-L401 HydrophobicContact CE2-CD1 4.2Å; Y398-L401 HydrophobicContact CG-CD1 4.48Å; Y398-L401 WeakPolarHBondContact O-CB 3.37Å; Y398-L401 PolarHBondContact O-N 3.35Å; Y398-L401 VanDerWaalsContact O-N 3.15Å; Y398-Y427 HydrophobicContact CE2-CD1 4.18Å; Y398-Y427 AromaticContact CE2-CE1 3.97Å; Y398-Y427 HydrophobicContact CE2-CE1 3.97Å; Y398-M455 HydrophobicContact CD1-SD 3.8Å; Y398-M455 HydrophobicContact CD2-CG 3.4Å; Y398-M455 VanDerWaalsContact CD2-CG 3.4Å; Y398-M455 HydrophobicContact CD2-SD 3.35Å; Y398-M455 WeakPolarHBondContact CD2-SD 3.3Å; Y398-M455 HydrophobicContact CE1-CE 3.88Å; Y398-M455 HydrophobicContact CE1-SD 3.58Å; Y398-M455 VanDerWaalsContact CE1-SD 3.58Å; Y398-M455 HydrophobicContact CE2-CE 3.87Å; Y398-M455 HydrophobicContact CE2-CG 3.09Å; Y398-M455 HydrophobicContact CE2-SD 3.17Å; Y398-M455 WeakPolarHBondContact CE2-SD 3.47Å; Y398-M455 HydrophobicContact CG-CG 4.32Å; Y398-M455 HydrophobicContact CG-SD 3.69Å; Y398-M455 VanDerWaalsContact CZ-CE 3.44Å; Y398-M455 WeakPolarHBondContact OH-CE 3.33Å; Y398-I458 HydrophobicContact CG-CD1 4.17Å
399	A	86.4	Confident	87.1	Confident	61 Å²	61	64.2 Å²	64.2	50%	0.504	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-29	177	0	0	0	0	0	113.1	N395 E396 P402	N395-A399 VanDerWaalsContact O-CB 3.26Å; N395-A399 WeakPolarHBondContact O-CB 3.4Å; N395-A399 PolarHBondContact O-N 3.42Å; E396-A399 PolarHBondContact O-N 2.86Å; A399-P402 WeakPolarHBondContact O-CD 3.49Å
400	C	87.5	Confident	87	Confident	78 Å²	78	66.3 Å²	66.3	53%	0.527	35%	0.351	S	S	.	.	H	α-helix	trans	-85.2	-10	176.7	-60.3	0	0	0	0	113.8	E396 T397 Y398 D403 L404	E396-C400 PolarHBondContact O-N 2.74Å; E396-C400 VanDerWaalsContact O-N 3.1Å; E396-C400 PolarHBondContact O-SG 3.41Å; T397-C400 PolarHBondContact O-N 2.87Å; Y398-C400 PolarHBondContact O-N 3.37Å; C400-D403 PolarHBondContact O-N 2.81Å; C400-L404 PolarHBondContact O-N 2.83Å
401	L	85.8	Confident	86.8	Confident	5 Å²	5	67.8 Å²	67.8	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-62.1	-42.9	-177.3	-76.7	172.6	0	0	0	113.8	T397 Y398 D403 L404 L405 Y427 Y451	T397-L401 WeakPolarHBondContact O-CG 3.42Å; T397-L401 PolarHBondContact O-N 3.49Å; Y398-L401 HydrophobicContact CD2-CD1 3.64Å; Y398-L401 HydrophobicContact CE2-CD1 4.2Å; Y398-L401 HydrophobicContact CG-CD1 4.48Å; Y398-L401 WeakPolarHBondContact O-CB 3.37Å; Y398-L401 PolarHBondContact O-N 3.35Å; Y398-L401 VanDerWaalsContact O-N 3.15Å; L401-D403 VanDerWaalsContact C-N 3.31Å; L401-D403 PolarHBondContact O-N 2.87Å; L401-L404 HydrophobicContact CD2-CD2 4.33Å; L401-L404 PolarHBondContact O-N 2.78Å; L401-L405 WeakPolarHBondContact O-CB 3.4Å; L401-L405 WeakPolarHBondContact O-CG 3.25Å; L401-L405 PolarHBondContact O-N 2.92Å; L401-Y427 HydrophobicContact CD1-CD2 3.98Å; L401-Y427 HydrophobicContact CD1-CE2 3.63Å; L401-Y451 HydrophobicContact CD2-CD1 3.92Å; L401-Y451 HydrophobicContact CD2-CD2 4.31Å; L401-Y451 HydrophobicContact CD2-CG 3.76Å
402	P	86	Confident	86.7	Confident	75 Å²	75	68.4 Å²	68.4	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-57.9	-42	-179.6	-26.3	36	0	0	0	113.2	A399 L405 S406	A399-P402 WeakPolarHBondContact O-CD 3.49Å; P402-L405 PolarHBondContact O-N 2.74Å; P402-S406 WeakPolarHBondContact O-CB 3.18Å; P402-S406 PolarHBondContact O-N 3.23Å; P402-S406 PolarHBondContact O-OG 3.49Å
403	D	87.5	Confident	86.5	Confident	106 Å²	106	70 Å²	70	57%	0.567	37%	0.368	S	S	*	.	H	α-helix	trans	-67.3	-43.8	178.4	-63.4	-29.2	0	0	0	110.9	C400 L401 S406 Q407	C400-D403 PolarHBondContact O-N 2.81Å; L401-D403 VanDerWaalsContact C-N 3.31Å; L401-D403 PolarHBondContact O-N 2.87Å; D403-S406 PolarHBondContact O-N 3.21Å; D403-Q407 WeakPolarHBondContact O-CG 3.27Å; D403-Q407 PolarHBondContact O-N 3.4Å
404	L	86.5	Confident	86.1	Confident	49 Å²	49	67.3 Å²	67.3	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-44.6	176.1	-179.4	66.4	0	0	0	111.9	C400 L401 S406 Q407 L408 L447 Y451	C400-L404 PolarHBondContact O-N 2.83Å; L401-L404 HydrophobicContact CD2-CD2 4.33Å; L401-L404 PolarHBondContact O-N 2.78Å; L404-S406 VanDerWaalsContact C-N 3.32Å; L404-Q407 PolarHBondContact O-N 3.23Å; L404-L408 HydrophobicContact CD1-CD1 4.12Å; L404-L408 HydrophobicContact CD1-CG 4.48Å; L404-L408 HydrophobicContact CG-CD1 4.04Å; L404-L408 WeakPolarHBondContact O-CB 3.49Å; L404-L408 VanDerWaalsContact O-CG 3.28Å; L404-L408 WeakPolarHBondContact O-CG 3.37Å; L404-L408 PolarHBondContact O-N 3.48Å; L404-L447 HydrophobicContact CD2-CD2 4.42Å; L404-Y451 HydrophobicContact CD2-CD2 4.38Å; L404-Y451 HydrophobicContact CD2-CE2 3.79Å
405	L	86.8	Confident	85.9	Confident	21 Å²	21	69.6 Å²	69.6	11%	0.11	39%	0.389	C	S	.	.	H	α-helix	trans	-67.8	-33.7	178.4	-67.4	177.4	0	0	0	111.6	L401 P402 A409 L425 L447	L401-L405 WeakPolarHBondContact O-CB 3.4Å; L401-L405 WeakPolarHBondContact O-CG 3.25Å; L401-L405 PolarHBondContact O-N 2.92Å; P402-L405 PolarHBondContact O-N 2.74Å; L405-A409 WeakPolarHBondContact O-CB 3.42Å; L405-A409 PolarHBondContact O-N 3.02Å; L405-L425 HydrophobicContact CB-CB 4.07Å; L405-L425 HydrophobicContact CD2-CB 4.04Å; L405-L425 HydrophobicContact CD2-CD1 4.44Å; L405-L425 WeakPolarHBondContact O-CD1 3.28Å; L405-L447 HydrophobicContact CD2-CD1 3.91Å
406	S	87.2	Confident	85.5	Confident	69 Å²	69	70.1 Å²	70.1	48%	0.483	39%	0.392	S	S	.	.	H	α-helix	trans	-67.2	-46.7	176	-58.5	0	0	0	0	111.3	P402 D403 L404 L408 A409 E410	P402-S406 WeakPolarHBondContact O-CB 3.18Å; P402-S406 PolarHBondContact O-N 3.23Å; P402-S406 PolarHBondContact O-OG 3.49Å; D403-S406 PolarHBondContact O-N 3.21Å; L404-S406 VanDerWaalsContact C-N 3.32Å; S406-L408 PolarHBondContact O-N 3.24Å; S406-A409 PolarHBondContact O-N 3.44Å; S406-E410 PolarHBondContact O-N 2.73Å; S406-E410 VanDerWaalsContact O-N 3.12Å
407	Q	87	Confident	84.8	Confident	122 Å²	122	75 Å²	75	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-59.6	-45.9	175.7	-71.1	173.6	6.8	0	0	111.7	D403 L404 A409 E410 D411	D403-Q407 WeakPolarHBondContact O-CG 3.27Å; D403-Q407 PolarHBondContact O-N 3.4Å; L404-Q407 PolarHBondContact O-N 3.23Å; Q407-A409 VanDerWaalsContact C-N 3.31Å; Q407-A409 PolarHBondContact O-N 2.84Å; Q407-E410 PolarHBondContact O-N 3.08Å; Q407-D411 PolarHBondContact O-N 2.83Å; Q407-D411 VanDerWaalsContact O-N 3.14Å
408	L	87.1	Confident	84.2	Confident	38 Å²	38	81.9 Å²	81.9	20%	0.199	43%	0.434	C	S	.	.	H	α-helix	trans	-70.3	-26.8	179.2	-68.4	174	0	0	0	113.1	L404 S406 E412 L425 L447	L404-L408 HydrophobicContact CD1-CD1 4.12Å; L404-L408 HydrophobicContact CD1-CG 4.48Å; L404-L408 HydrophobicContact CG-CD1 4.04Å; L404-L408 WeakPolarHBondContact O-CB 3.49Å; L404-L408 VanDerWaalsContact O-CG 3.28Å; L404-L408 WeakPolarHBondContact O-CG 3.37Å; L404-L408 PolarHBondContact O-N 3.48Å; S406-L408 PolarHBondContact O-N 3.24Å; L408-E412 WeakPolarHBondContact O-CB 3.36Å; L408-E412 WeakPolarHBondContact O-CG 3.42Å; L408-E412 PolarHBondContact O-N 3.3Å; L408-L425 HydrophobicContact CB-CD1 3.47Å; L408-L425 VanDerWaalsContact CB-CD1 3.47Å; L408-L447 HydrophobicContact CD1-CD1 3.76Å; L408-L447 HydrophobicContact CD1-CD2 3.71Å; L408-L447 HydrophobicContact CD1-CG 4.18Å
409	A	86.8	Confident	83.9	Confident	9 Å²	9	85 Å²	85	7%	0.074	46%	0.456	C	S	.	.	H	α-helix	trans	-71	-37.1	174.9	0	0	0	0	0	111.5	L405 S406 Q407 E412 L413 L425	L405-A409 WeakPolarHBondContact O-CB 3.42Å; L405-A409 PolarHBondContact O-N 3.02Å; S406-A409 PolarHBondContact O-N 3.44Å; Q407-A409 VanDerWaalsContact C-N 3.31Å; Q407-A409 PolarHBondContact O-N 2.84Å; A409-E412 PolarHBondContact O-N 3.49Å; A409-L413 WeakPolarHBondContact O-CB 3.41Å; A409-L413 PolarHBondContact O-N 3.49Å; A409-L425 HydrophobicContact CB-CB 4.39Å; A409-L425 HydrophobicContact CB-CD1 4.22Å; A409-L425 HydrophobicContact CB-CG 4.14Å
410	E	85.7	Confident	83.4	Confident	147 Å²	147	86 Å²	86	69%	0.687	45%	0.452	S	S	*	.	H	α-helix	trans	-62.8	-45.3	171.5	-70.7	-179.6	179.6	0	0	111.2	S406 Q407 E412 L413 G414	S406-E410 PolarHBondContact O-N 2.73Å; S406-E410 VanDerWaalsContact O-N 3.12Å; Q407-E410 PolarHBondContact O-N 3.08Å; E410-E412 VanDerWaalsContact C-N 3.33Å; E410-E412 PolarHBondContact O-N 2.78Å; E410-L413 PolarHBondContact O-N 3.02Å; E410-G414 PolarHBondContact O-N 3.05Å
411	D	85.2	Confident	83	Confident	98 Å²	98	93 Å²	93	52%	0.524	47%	0.468	S	S	.	.	H	α-helix	trans	-61.3	-38.5	176.6	-75.5	-17.3	0	0	0	112.7	Q407	Q407-D411 PolarHBondContact O-N 2.83Å; Q407-D411 VanDerWaalsContact O-N 3.14Å
412	E	83.5	Confident	82.7	Confident	16 Å²	16	98.2 Å²	98.2	8%	0.075	50%	0.5	C	S	.	.	H	α-helix	trans	-75.4	-35.1	177.1	-74.7	-63.8	138.8	0	0	112.6	L408 A409 E410 G414 K415 L416 N441 T443	L408-E412 WeakPolarHBondContact O-CB 3.36Å; L408-E412 WeakPolarHBondContact O-CG 3.42Å; L408-E412 PolarHBondContact O-N 3.3Å; A409-E412 PolarHBondContact O-N 3.49Å; E410-E412 VanDerWaalsContact C-N 3.33Å; E410-E412 PolarHBondContact O-N 2.78Å; E412-G414 PolarHBondContact O-N 3.41Å; E412-K415 PolarHBondContact O-N 2.85Å; E412-K415 IonicContact OE1-NZ 2.79Å; E412-K415 PolarHBondContact OE1-NZ 3.43Å; E412-L416 WeakPolarHBondContact O-CG 3.48Å; E412-L416 PolarHBondContact O-N 2.93Å; E412-N441 VanDerWaalsContact CD-ND2 3.33Å; E412-N441 PolarHBondContact OE2-ND2 3.41Å; E412-T443 PolarHBondContact OE1-OG1 2.89Å
413	L	85.1	Confident	82.5	Confident	63 Å²	63	96.4 Å²	96.4	33%	0.33	49%	0.489	S	S	.	.	H	α-helix	trans	-57.3	-40.6	173.9	-176.6	63.3	0	0	0	111.1	A409 E410 K415 L416 I420 C423	A409-L413 WeakPolarHBondContact O-CB 3.41Å; A409-L413 PolarHBondContact O-N 3.49Å; E410-L413 PolarHBondContact O-N 3.02Å; L413-K415 PolarHBondContact O-N 3.49Å; L413-L416 PolarHBondContact O-N 3.28Å; L413-I420 HydrophobicContact CD1-CG2 4.49Å; L413-C423 HydrophobicContact CB-CB 3.92Å; L413-C423 HydrophobicContact CD1-CB 3.86Å; L413-C423 HydrophobicContact CG-CB 4.44Å
414	G	80.7	Confident	82.2	Confident	72 Å²	72	94 Å²	94	74%	0.742	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21	175.8	0	0	0	0	0	114.8	E410 E412	E410-G414 PolarHBondContact O-N 3.05Å; E412-G414 PolarHBondContact O-N 3.41Å
415	K	82	Confident	82	Confident	141 Å²	141	93.2 Å²	93.2	61%	0.613	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-15	178.1	-61.5	173.9	-162.8	165.9	0	113.2	E412 L413	E412-K415 PolarHBondContact O-N 2.85Å; E412-K415 IonicContact OE1-NZ 2.79Å; E412-K415 PolarHBondContact OE1-NZ 3.43Å; L413-K415 PolarHBondContact O-N 3.49Å
416	L	79.3	Confident	81.6	Confident	51 Å²	51	97 Å²	97	27%	0.267	50%	0.504	S	S	.	.	S	Bend	trans	-83.4	161	-177.6	-72.5	170.7	0	0	0	111.9	E412 L413 I420 C423	E412-L416 WeakPolarHBondContact O-CG 3.48Å; E412-L416 PolarHBondContact O-N 2.93Å; L413-L416 PolarHBondContact O-N 3.28Å; L416-I420 HydrophobicContact CB-CD1 4.22Å; L416-I420 HydrophobicContact CD1-CD1 4.28Å; L416-I420 HydrophobicContact CD1-CG2 4.37Å; L416-I420 HydrophobicContact CD2-CD1 4.18Å; L416-I420 HydrophobicContact CG-CD1 4.47Å; L416-C423 HydrophobicContact CD1-CB 4.17Å
417	R	72.7	Confident	81	Confident	219 Å²	219	96.3 Å²	96.3	83%	0.826	49%	0.491	S	S	*	.			trans	-66.1	148	179.8	-64.2	-177.8	-179.5	-177.7	0.1	111	N419 I420	R417-N419 PolarHBondContact O-N 3.49Å; R417-I420 PolarHBondContact O-N 3.39Å
418	E	74.3	Confident	80.3	Confident	193 Å²	193	95 Å²	95	90%	0.902	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-20.2	-176.5	-66.3	-178.7	169.1	0	0	115.8	I420	E418-I420 VanDerWaalsContact C-N 3.33Å; E418-I420 PolarHBondContact O-N 3.38Å
419	N	78.7	Confident	79.3	Confident	151 Å²	151	96 Å²	96	81%	0.807	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.4	-179.6	-62.9	-0.1	0	0	0	114.1	R417	R417-N419 PolarHBondContact O-N 3.49Å
420	I	76.7	Confident	78.1	Confident	82 Å²	82	101.9 Å²	101.9	42%	0.421	52%	0.522	S	S	.	.			trans	-94.7	113.7	-179	-58.4	177.6	0	0	0	108.9	L413 L416 R417 E418 T422	L413-I420 HydrophobicContact CD1-CG2 4.49Å; L416-I420 HydrophobicContact CB-CD1 4.22Å; L416-I420 HydrophobicContact CD1-CD1 4.28Å; L416-I420 HydrophobicContact CD1-CG2 4.37Å; L416-I420 HydrophobicContact CD2-CD1 4.18Å; L416-I420 HydrophobicContact CG-CD1 4.47Å; R417-I420 PolarHBondContact O-N 3.39Å; E418-I420 VanDerWaalsContact C-N 3.33Å; E418-I420 PolarHBondContact O-N 3.38Å; I420-T422 WeakPolarHBondContact CG2-O 3.36Å
421	R	78.3	Confident	77.1	Confident	227 Å²	227	103.7 Å²	103.7	86%	0.857	53%	0.528	S	S	*	.			trans	-87.6	-22.8	-175.9	-64.6	-176.5	-179.4	-178	-0	114.4
422	T	79.9	Confident	75.8	Confident	113 Å²	113	104.1 Å²	104.1	69%	0.693	53%	0.534	S	S	*	.			trans	-141.1	128.4	-172	49.5	0	0	0	0	109.3	I420	I420-T422 WeakPolarHBondContact CG2-O 3.36Å
423	C	81.5	Confident	74.7	Confident	38 Å²	38	108 Å²	108	26%	0.257	56%	0.556	S	S	.	*			trans	-125.3	139.6	170.7	-170.8	0	0	0	0	107.6	L413 L416	L413-C423 HydrophobicContact CB-CB 3.92Å; L413-C423 HydrophobicContact CD1-CB 3.86Å; L413-C423 HydrophobicContact CG-CB 4.44Å; L416-C423 HydrophobicContact CD1-CB 4.17Å
424	G	82.2	Confident	74.1	Confident	55 Å²	55	113.5 Å²	113.5	57%	0.567	59%	0.585	S	S	*	*			trans	-140.1	137.8	176.7	0	0	0	0	0	109.6
425	L	81.2	Confident	73.7	Confident	33 Å²	33	119 Å²	119	17%	0.173	59%	0.592	C	S	.	*			trans	-96.7	127.6	171.2	-74.9	167.4	0	0	0	109	L405 L408 A409 T444 L447	L405-L425 HydrophobicContact CB-CB 4.07Å; L405-L425 HydrophobicContact CD2-CB 4.04Å; L405-L425 HydrophobicContact CD2-CD1 4.44Å; L405-L425 WeakPolarHBondContact O-CD1 3.28Å; L408-L425 HydrophobicContact CB-CD1 3.47Å; L408-L425 VanDerWaalsContact CB-CD1 3.47Å; A409-L425 HydrophobicContact CB-CB 4.39Å; A409-L425 HydrophobicContact CB-CD1 4.22Å; A409-L425 HydrophobicContact CB-CG 4.14Å; L425-T444 HydrophobicContact CD2-CG2 3.66Å; L425-L447 HydrophobicContact CD1-CD1 4.42Å
426	I	78.6	Confident	73.3	Confident	100 Å²	100	118 Å²	118	51%	0.513	59%	0.59	S	S	.	*			trans	-120.4	128.3	-175.9	-61.5	165.7	0	0	0	108.4	F428 Y438	I426-F428 WeakPolarHBondContact CG2-O 3.48Å; I426-Y438 HydrophobicContact CD1-CD1 4.43Å; I426-Y438 HydrophobicContact CD1-CE1 3.7Å
427	Y	75.1	Confident	73.1	Confident	55 Å²	55	120.1 Å²	120.1	22%	0.216	62%	0.616	C	S	.	*	S	Bend	trans	-72.6	-40.5	-177.9	-171.9	-104.1	0	0	0	112.9	Y398 L401 Y451 G452 M455	Y398-Y427 HydrophobicContact CE2-CD1 4.18Å; Y398-Y427 AromaticContact CE2-CE1 3.97Å; Y398-Y427 HydrophobicContact CE2-CE1 3.97Å; L401-Y427 HydrophobicContact CD1-CD2 3.98Å; L401-Y427 HydrophobicContact CD1-CE2 3.63Å; Y427-Y451 VanDerWaalsContact CE2-O 3.28Å; Y427-Y451 WeakPolarHBondContact CE2-O 3.46Å; Y427-Y451 PolarHBondContact OH-O 2.92Å; Y427-G452 PolarHBondContact OH-O 3.34Å; Y427-G452 VanDerWaalsContact OH-O 3.12Å; Y427-M455 HydrophobicContact CD1-CG 4.39Å; Y427-M455 HydrophobicContact CE1-CB 3.97Å; Y427-M455 HydrophobicContact CE1-CG 3.48Å; Y427-M455 VanDerWaalsContact CE1-CG 3.48Å; Y427-M455 PolarHBondContact OH-N 3.16Å
428	F	71.8	Confident	73.4	Confident	94 Å²	94	114.5 Å²	114.5	41%	0.412	60%	0.595	S	S	.	*	S	Bend	trans	-128.5	118.1	170.1	-83.4	-70.4	0	0	0	110.4	I426 L430 M455 Y456	I426-F428 WeakPolarHBondContact CG2-O 3.48Å; F428-L430 PolarHBondContact O-N 3.3Å; F428-M455 HydrophobicContact CE2-CB 4.12Å; F428-M455 HydrophobicContact CE2-CG 4.37Å; F428-Y456 HydrophobicContact CE1-CE2 4.11Å; F428-Y456 AromaticContact CZ-CE2 3.77Å; F428-Y456 HydrophobicContact CZ-CE2 3.77Å; F428-Y456 AromaticContact CZ-CZ 3.94Å
429	P	66.3	Low	73.6	Confident	58 Å²	58	111.5 Å²	111.5	38%	0.377	58%	0.576	S	S	.	*			trans	-72	113.8	177.7	27.5	-31.5	0	0	0	110.6	F431 Y438	P429-F431 PolarHBondContact O-N 2.82Å; P429-Y438 HydrophobicContact CB-CD1 4.37Å
430	L	61.2	Low	73.8	Confident	134 Å²	134	113.4 Å²	113.4	70%	0.702	57%	0.572	S	S	*	*			trans	-86	103	167.6	-69.4	167.9	0	0	0	108.3	F428 T432	F428-L430 PolarHBondContact O-N 3.3Å; L430-T432 VanDerWaalsContact C-N 3.31Å; L430-T432 PolarHBondContact O-N 3.21Å; L430-T432 PolarHBondContact O-OG1 2.9Å
431	F	64.9	Low	74.1	Confident	184 Å²	184	110.9 Å²	110.9	81%	0.807	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	85.5	179	-60	-84	0	0	0	110.9	P429	P429-F431 PolarHBondContact O-N 2.82Å
432	T	58.3	Low	74.4	Confident	108 Å²	108	105.5 Å²	105.5	66%	0.663	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	-30.9	-178.7	43.9	0	0	0	0	113.6	L430	L430-T432 VanDerWaalsContact C-N 3.31Å; L430-T432 PolarHBondContact O-N 3.21Å; L430-T432 PolarHBondContact O-OG1 2.9Å
433	D	60.8	Low	74.6	Confident	98 Å²	98	101.7 Å²	101.7	52%	0.524	52%	0.521	S	S	.	.			trans	-108.5	119.6	-173.6	-64	-30.4	0	0	0	113.2	E435 M436	D433-E435 PolarHBondContact O-N 3.06Å; D433-M436 HydrophobicContact CB-CG 4.49Å
434	N	71.1	Confident	74.8	Confident	177 Å²	177	101.3 Å²	101.3	95%	0.947	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.6	175.4	-75.1	-16.7	0	0	0	113.7
435	E	72.8	Confident	75	Confident	189 Å²	189	105.6 Å²	105.6	88%	0.883	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-11.4	-178.4	-63.9	-168.4	163.9	0	0	113.6	D433	D433-E435 PolarHBondContact O-N 3.06Å
436	M	73	Confident	75.2	Confident	118 Å²	118	108.6 Å²	108.6	58%	0.581	53%	0.532	S	S	*	.			trans	-105.8	128.4	-176.5	-67.9	-66.4	-175.1	0	0	111.7	D433 Y438	D433-M436 HydrophobicContact CB-CG 4.49Å; M436-Y438 HydrophobicContact CB-CE2 3.74Å
437	A	74.9	Confident	75.6	Confident	97 Å²	97	105 Å²	105	80%	0.802	51%	0.514	S	S	*	.			trans	-95.6	117.9	172	0	0	0	0	0	110.3
438	Y	78.9	Confident	76.1	Confident	101 Å²	101	106.4 Å²	106.4	40%	0.396	53%	0.525	S	S	.	.			trans	-97.3	130.2	177.9	-58.2	-94.2	0	0	0	109.9	I426 P429 M436	I426-Y438 HydrophobicContact CD1-CD1 4.43Å; I426-Y438 HydrophobicContact CD1-CE1 3.7Å; P429-Y438 HydrophobicContact CB-CD1 4.37Å; M436-Y438 HydrophobicContact CB-CE2 3.74Å
439	Y	80.4	Confident	76.7	Confident	129 Å²	129	110 Å²	110	51%	0.506	54%	0.543	S	S	.	.			trans	-139.2	155	174.4	72.6	-81.8	0	0	0	110.9	N441	Y439-N441 HydrophobicContact CD2-CB 4.48Å; Y439-N441 HydrophobicContact CE2-CB 4.05Å
440	R	81.9	Confident	77.5	Confident	192 Å²	192	116 Å²	116	73%	0.725	56%	0.558	S	S	*	*			trans	-103.6	129.9	173.9	-66.2	-175.4	179.6	-162.2	-2.9	109.6	T444	R440-T444 WeakPolarHBondContact CA-OG1 3.28Å
441	N	83.5	Confident	78.6	Confident	29 Å²	29	112 Å²	112	16%	0.155	53%	0.534	C	S	.	.			trans	-112.9	-179.2	171.3	66.9	0.8	0	0	0	111.2	E412 Y439 T443 T444 R445	E412-N441 VanDerWaalsContact CD-ND2 3.33Å; E412-N441 PolarHBondContact OE2-ND2 3.41Å; Y439-N441 HydrophobicContact CD2-CB 4.48Å; Y439-N441 HydrophobicContact CE2-CB 4.05Å; N441-T443 VanDerWaalsContact C-N 3.31Å; N441-T443 PolarHBondContact O-N 2.92Å; N441-T443 PolarHBondContact OD1-N 3.01Å; N441-T444 PolarHBondContact N-OG1 3.35Å; N441-T444 PolarHBondContact O-N 3.49Å; N441-T444 PolarHBondContact O-OG1 3.29Å; N441-T444 WeakPolarHBondContact OD1-CB 3.41Å; N441-T444 VanDerWaalsContact OD1-CG2 3.23Å; N441-T444 WeakPolarHBondContact OD1-CG2 3.34Å; N441-T444 PolarHBondContact OD1-N 2.96Å; N441-T444 PolarHBondContact OD1-OG1 2.88Å; N441-R445 PolarHBondContact O-N 2.73Å; N441-R445 VanDerWaalsContact O-N 3.11Å
442	E	84.7	Confident	79.4	Confident	113 Å²	113	103.7 Å²	103.7	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-61.6	-39.3	178.9	-164.5	59.8	-160.3	0	0	112.4	T444 R445 I446	E442-T444 PolarHBondContact O-N 2.59Å; E442-R445 WeakPolarHBondContact O-CB 3.3Å; E442-R445 PolarHBondContact O-N 2.65Å; E442-R445 VanDerWaalsContact O-N 3.09Å; E442-R445 WeakPolarHBondContact OE2-CD 3.24Å; E442-R445 IonicContact OE2-NH1 3.92Å; E442-R445 PolarHBondContact OE2-NH1 2.91Å; E442-R445 VanDerWaalsContact OE2-NH1 3.08Å; E442-I446 HydrophobicContact CG-CD1 4.46Å; E442-I446 WeakPolarHBondContact O-CG1 3.43Å; E442-I446 PolarHBondContact O-N 3.5Å
443	T	84.3	Confident	80.7	Confident	33 Å²	33	104.1 Å²	104.1	20%	0.202	50%	0.499	C	S	.	.	H	α-helix	trans	-58.2	-46.1	175.9	-42.2	0	0	0	0	111.4	E412 N441 R445 I446 L447	E412-T443 PolarHBondContact OE1-OG1 2.89Å; N441-T443 VanDerWaalsContact C-N 3.31Å; N441-T443 PolarHBondContact O-N 2.92Å; N441-T443 PolarHBondContact OD1-N 3.01Å; T443-R445 VanDerWaalsContact C-N 3.33Å; T443-R445 PolarHBondContact O-N 3.32Å; T443-I446 PolarHBondContact O-N 2.94Å; T443-L447 WeakPolarHBondContact O-CG 3.48Å; T443-L447 PolarHBondContact O-N 2.84Å
444	T	86	Confident	81.9	Confident	31 Å²	31	100.1 Å²	100.1	19%	0.19	48%	0.478	C	S	.	.	H	α-helix	trans	-64.9	-32.9	175.7	59.3	0	0	0	0	112.7	L425 R440 N441 E442 L447 D448	L425-T444 HydrophobicContact CD2-CG2 3.66Å; R440-T444 WeakPolarHBondContact CA-OG1 3.28Å; N441-T444 PolarHBondContact N-OG1 3.35Å; N441-T444 PolarHBondContact O-N 3.49Å; N441-T444 PolarHBondContact O-OG1 3.29Å; N441-T444 WeakPolarHBondContact OD1-CB 3.41Å; N441-T444 VanDerWaalsContact OD1-CG2 3.23Å; N441-T444 WeakPolarHBondContact OD1-CG2 3.34Å; N441-T444 PolarHBondContact OD1-N 2.96Å; N441-T444 PolarHBondContact OD1-OG1 2.88Å; E442-T444 PolarHBondContact O-N 2.59Å; T444-L447 PolarHBondContact O-N 2.86Å; T444-D448 VanDerWaalsContact O-CB 3.24Å; T444-D448 WeakPolarHBondContact O-CB 3.38Å; T444-D448 PolarHBondContact O-N 2.93Å
445	R	85.5	Confident	82.5	Confident	144 Å²	144	93.2 Å²	93.2	54%	0.543	44%	0.44	S	S	.	.	H	α-helix	trans	-67.9	-40.8	176.3	-71	174.7	177.9	168.2	-4.3	112.3	N441 E442 T443 D448 Q449	N441-R445 PolarHBondContact O-N 2.73Å; N441-R445 VanDerWaalsContact O-N 3.11Å; E442-R445 WeakPolarHBondContact O-CB 3.3Å; E442-R445 PolarHBondContact O-N 2.65Å; E442-R445 VanDerWaalsContact O-N 3.09Å; E442-R445 WeakPolarHBondContact OE2-CD 3.24Å; E442-R445 IonicContact OE2-NH1 3.92Å; E442-R445 PolarHBondContact OE2-NH1 2.91Å; E442-R445 VanDerWaalsContact OE2-NH1 3.08Å; T443-R445 VanDerWaalsContact C-N 3.33Å; T443-R445 PolarHBondContact O-N 3.32Å; R445-D448 PolarHBondContact O-N 3.31Å; R445-Q449 WeakPolarHBondContact O-CG 3.28Å; R445-Q449 PolarHBondContact O-N 3.18Å
446	I	85.9	Confident	83.2	Confident	97 Å²	97	91 Å²	91	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-66.1	-42.7	176.6	-64.4	168.4	0	0	0	110.2	E442 T443 Q449 R450	E442-I446 HydrophobicContact CG-CD1 4.46Å; E442-I446 WeakPolarHBondContact O-CG1 3.43Å; E442-I446 PolarHBondContact O-N 3.5Å; T443-I446 PolarHBondContact O-N 2.94Å; I446-Q449 PolarHBondContact O-N 2.88Å; I446-R450 WeakPolarHBondContact O-CB 3.46Å; I446-R450 PolarHBondContact O-N 3.37Å; I446-R450 VanDerWaalsContact O-N 3.14Å
447	L	85.9	Confident	83.9	Confident	25 Å²	25	86.6 Å²	86.6	13%	0.131	41%	0.407	C	S	.	.	H	α-helix	trans	-64.4	-41.7	176	-71.8	173.1	0	0	0	112.2	L404 L405 L408 L425 T443 T444 R450 Y451 G452	L404-L447 HydrophobicContact CD2-CD2 4.42Å; L405-L447 HydrophobicContact CD2-CD1 3.91Å; L408-L447 HydrophobicContact CD1-CD1 3.76Å; L408-L447 HydrophobicContact CD1-CD2 3.71Å; L408-L447 HydrophobicContact CD1-CG 4.18Å; L425-L447 HydrophobicContact CD1-CD1 4.42Å; T443-L447 WeakPolarHBondContact O-CG 3.48Å; T443-L447 PolarHBondContact O-N 2.84Å; T444-L447 PolarHBondContact O-N 2.86Å; L447-R450 PolarHBondContact O-N 3.06Å; L447-Y451 HydrophobicContact CD2-CD2 3.8Å; L447-Y451 HydrophobicContact CD2-CE2 3.99Å; L447-Y451 WeakPolarHBondContact O-CA 3.45Å; L447-Y451 WeakPolarHBondContact O-CB 3.43Å; L447-Y451 PolarHBondContact O-N 3.49Å; L447-G452 PolarHBondContact O-N 2.92Å
448	D	85.7	Confident	84.5	Confident	84 Å²	84	82 Å²	82	45%	0.449	37%	0.369	S	S	.	.	H	α-helix	trans	-60	-46.3	176.5	-165.8	40.4	0	0	0	110.9	T444 R445 R450 G452	T444-D448 VanDerWaalsContact O-CB 3.24Å; T444-D448 WeakPolarHBondContact O-CB 3.38Å; T444-D448 PolarHBondContact O-N 2.93Å; R445-D448 PolarHBondContact O-N 3.31Å; D448-R450 VanDerWaalsContact C-N 3.3Å; D448-R450 PolarHBondContact O-N 3.13Å; D448-G452 VanDerWaalsContact O-CA 3.24Å; D448-G452 WeakPolarHBondContact O-CA 3.47Å; D448-G452 PolarHBondContact O-N 2.79Å
449	Q	84.2	Confident	84.9	Confident	170 Å²	170	79.8 Å²	79.8	79%	0.794	37%	0.365	S	S	*	.	H	α-helix	trans	-62.4	-33.3	176.3	-74.7	178.9	3.7	0	0	113.9	R445 I446	R445-Q449 WeakPolarHBondContact O-CG 3.28Å; R445-Q449 PolarHBondContact O-N 3.18Å; I446-Q449 PolarHBondContact O-N 2.88Å
450	R	83.2	Confident	85.3	Confident	184 Å²	184	78.9 Å²	78.9	69%	0.694	37%	0.369	S	S	*	.	H	α-helix	trans	-94.5	-31.9	-173.7	-167.3	170.9	-175.9	176.8	-0.3	113.7	I446 L447 D448	I446-R450 WeakPolarHBondContact O-CB 3.46Å; I446-R450 PolarHBondContact O-N 3.37Å; I446-R450 VanDerWaalsContact O-N 3.14Å; L447-R450 PolarHBondContact O-N 3.06Å; D448-R450 VanDerWaalsContact C-N 3.3Å; D448-R450 PolarHBondContact O-N 3.13Å
451	Y	84.4	Confident	85.7	Confident	49 Å²	49	70.5 Å²	70.5	19%	0.192	34%	0.341	C	S	.	.	H	α-helix	trans	-131.7	-11.9	-170.6	-58.2	-71.5	0	0	0	114.1	T397 L401 L404 Y427 L447 D453 V454	T397-Y451 HydrophobicContact CG2-CD1 3.72Å; T397-Y451 HydrophobicContact CG2-CE1 3.7Å; L401-Y451 HydrophobicContact CD2-CD1 3.92Å; L401-Y451 HydrophobicContact CD2-CD2 4.31Å; L401-Y451 HydrophobicContact CD2-CG 3.76Å; L404-Y451 HydrophobicContact CD2-CD2 4.38Å; L404-Y451 HydrophobicContact CD2-CE2 3.79Å; Y427-Y451 VanDerWaalsContact CE2-O 3.28Å; Y427-Y451 WeakPolarHBondContact CE2-O 3.46Å; Y427-Y451 PolarHBondContact OH-O 2.92Å; L447-Y451 HydrophobicContact CD2-CD2 3.8Å; L447-Y451 HydrophobicContact CD2-CE2 3.99Å; L447-Y451 WeakPolarHBondContact O-CA 3.45Å; L447-Y451 WeakPolarHBondContact O-CB 3.43Å; L447-Y451 PolarHBondContact O-N 3.49Å; Y451-D453 VanDerWaalsContact C-N 3.26Å; Y451-D453 PolarHBondContact O-N 2.96Å; Y451-V454 HydrophobicContact CD1-CG2 4.46Å; Y451-V454 WeakPolarHBondContact O-CB 3.11Å; Y451-V454 WeakPolarHBondContact O-CG2 3.49Å; Y451-V454 PolarHBondContact O-N 3.39Å; Y451-V454 VanDerWaalsContact O-N 3.17Å
452	G	81.8	Confident	86.1	Confident	10 Å²	10	69.2 Å²	69.2	10%	0.103	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-34.5	-173.5	0	0	0	0	0	113.8	Y427 L447 D448	Y427-G452 PolarHBondContact OH-O 3.34Å; Y427-G452 VanDerWaalsContact OH-O 3.12Å; L447-G452 PolarHBondContact O-N 2.92Å; D448-G452 VanDerWaalsContact O-CA 3.24Å; D448-G452 WeakPolarHBondContact O-CA 3.47Å; D448-G452 PolarHBondContact O-N 2.79Å
453	D	85.4	Confident	86.3	Confident	117 Å²	117	66.2 Å²	66.2	63%	0.626	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.9	-178.3	-66.5	-33.7	0	0	0	114.5	Y451 M455 Y456 A457	Y451-D453 VanDerWaalsContact C-N 3.26Å; Y451-D453 PolarHBondContact O-N 2.96Å; D453-M455 VanDerWaalsContact C-N 3.31Å; D453-M455 PolarHBondContact O-N 3.35Å; D453-Y456 PolarHBondContact O-N 3.32Å; D453-Y456 VanDerWaalsContact O-N 3.1Å; D453-A457 WeakPolarHBondContact O-CB 3.47Å; D453-A457 PolarHBondContact O-N 2.97Å
454	V	86.2	Confident	86.6	Confident	14 Å²	14	67.6 Å²	67.6	9%	0.085	33%	0.332	C	S	.	.	H	α-helix	trans	-59.1	-42.2	-174.6	175.1	0	0	0	0	111.5	W394 T397 Y451 A457 I458	W394-V454 HydrophobicContact CB-CG1 4.21Å; T397-V454 HydrophobicContact CG2-CG2 4.43Å; Y451-V454 HydrophobicContact CD1-CG2 4.46Å; Y451-V454 WeakPolarHBondContact O-CB 3.11Å; Y451-V454 WeakPolarHBondContact O-CG2 3.49Å; Y451-V454 PolarHBondContact O-N 3.39Å; Y451-V454 VanDerWaalsContact O-N 3.17Å; V454-A457 PolarHBondContact O-N 3.39Å; V454-I458 HydrophobicContact CG1-CD1 4.03Å; V454-I458 VanDerWaalsContact O-CG1 3.29Å; V454-I458 WeakPolarHBondContact O-CG1 3.49Å; V454-I458 PolarHBondContact O-N 2.86Å
455	M	84.5	Confident	86.8	Confident	32 Å²	32	67.5 Å²	67.5	16%	0.158	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-39.3	176.5	-81	-64	-92.7	0	0	113.4	Y398 Y427 F428 D453 A457 I458 V459	Y398-M455 HydrophobicContact CD1-SD 3.8Å; Y398-M455 HydrophobicContact CD2-CG 3.4Å; Y398-M455 VanDerWaalsContact CD2-CG 3.4Å; Y398-M455 HydrophobicContact CD2-SD 3.35Å; Y398-M455 WeakPolarHBondContact CD2-SD 3.3Å; Y398-M455 HydrophobicContact CE1-CE 3.88Å; Y398-M455 HydrophobicContact CE1-SD 3.58Å; Y398-M455 VanDerWaalsContact CE1-SD 3.58Å; Y398-M455 HydrophobicContact CE2-CE 3.87Å; Y398-M455 HydrophobicContact CE2-CG 3.09Å; Y398-M455 HydrophobicContact CE2-SD 3.17Å; Y398-M455 WeakPolarHBondContact CE2-SD 3.47Å; Y398-M455 HydrophobicContact CG-CG 4.32Å; Y398-M455 HydrophobicContact CG-SD 3.69Å; Y398-M455 VanDerWaalsContact CZ-CE 3.44Å; Y398-M455 WeakPolarHBondContact OH-CE 3.33Å; Y427-M455 HydrophobicContact CD1-CG 4.39Å; Y427-M455 HydrophobicContact CE1-CB 3.97Å; Y427-M455 HydrophobicContact CE1-CG 3.48Å; Y427-M455 VanDerWaalsContact CE1-CG 3.48Å; Y427-M455 PolarHBondContact OH-N 3.16Å; F428-M455 HydrophobicContact CE2-CB 4.12Å; F428-M455 HydrophobicContact CE2-CG 4.37Å; D453-M455 VanDerWaalsContact C-N 3.31Å; D453-M455 PolarHBondContact O-N 3.35Å; M455-A457 VanDerWaalsContact C-N 3.32Å; M455-I458 PolarHBondContact O-N 3.23Å; M455-I458 HydrophobicContact SD-CD1 4.14Å; M455-V459 WeakPolarHBondContact O-CG2 3.5Å; M455-V459 PolarHBondContact O-N 2.99Å
456	Y	86.3	Confident	87.1	Confident	143 Å²	143	61.8 Å²	61.8	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-64.7	-40.3	175.1	-68.7	-69.9	0	0	0	110.8	F428 D453 V459 D460	F428-Y456 HydrophobicContact CE1-CE2 4.11Å; F428-Y456 AromaticContact CZ-CE2 3.77Å; F428-Y456 HydrophobicContact CZ-CE2 3.77Å; F428-Y456 AromaticContact CZ-CZ 3.94Å; D453-Y456 PolarHBondContact O-N 3.32Å; D453-Y456 VanDerWaalsContact O-N 3.1Å; Y456-V459 PolarHBondContact O-N 2.89Å; Y456-D460 VanDerWaalsContact O-CB 3.25Å; Y456-D460 WeakPolarHBondContact O-CB 3.46Å; Y456-D460 PolarHBondContact O-N 3.23Å
457	A	88.1	Confident	87.3	Confident	25 Å²	25	60.4 Å²	60.4	21%	0.207	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-41.1	175.9	0	0	0	0	0	112.7	W394 D453 V454 M455 A461	W394-A457 HydrophobicContact CD2-CB 4.08Å; W394-A457 HydrophobicContact CE3-CB 4.03Å; W394-A457 HydrophobicContact CH2-CB 4.16Å; W394-A457 HydrophobicContact CZ2-CB 4.2Å; W394-A457 HydrophobicContact CZ3-CB 4.08Å; D453-A457 WeakPolarHBondContact O-CB 3.47Å; D453-A457 PolarHBondContact O-N 2.97Å; V454-A457 PolarHBondContact O-N 3.39Å; M455-A457 VanDerWaalsContact C-N 3.32Å; A457-A461 WeakPolarHBondContact O-CB 3.26Å; A457-A461 PolarHBondContact O-N 3.26Å
458	I	87.4	Confident	87.5	Confident	1 Å²	1	65 Å²	65	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-59.9	-51.3	173.6	-69.8	165.3	0	0	0	110.1	L391 W394 Y398 V454 M455 D460 A461 E462	L391-I458 HydrophobicContact CD1-CB 4.22Å; L391-I458 HydrophobicContact CD1-CG1 4.29Å; L391-I458 HydrophobicContact CD1-CG2 3.93Å; W394-I458 HydrophobicContact CB-CD1 4.16Å; W394-I458 HydrophobicContact CB-CG1 3.63Å; Y398-I458 HydrophobicContact CG-CD1 4.17Å; V454-I458 HydrophobicContact CG1-CD1 4.03Å; V454-I458 VanDerWaalsContact O-CG1 3.29Å; V454-I458 WeakPolarHBondContact O-CG1 3.49Å; V454-I458 PolarHBondContact O-N 2.86Å; M455-I458 PolarHBondContact O-N 3.23Å; M455-I458 HydrophobicContact SD-CD1 4.14Å; I458-D460 PolarHBondContact O-N 2.7Å; I458-A461 PolarHBondContact O-N 3.37Å; I458-E462 HydrophobicContact CG2-CG 4.46Å; I458-E462 WeakPolarHBondContact O-CB 3.35Å; I458-E462 WeakPolarHBondContact O-CG 3.38Å; I458-E462 PolarHBondContact O-N 3.37Å
459	V	87.2	Confident	87.7	Confident	53 Å²	53	61.1 Å²	61.1	32%	0.321	30%	0.301	S	S	.	.	H	α-helix	trans	-64.7	-40.5	-177.8	172.9	0	0	0	0	111.6	M455 Y456 E462 T463	M455-V459 WeakPolarHBondContact O-CG2 3.5Å; M455-V459 PolarHBondContact O-N 2.99Å; Y456-V459 PolarHBondContact O-N 2.89Å; V459-E462 PolarHBondContact O-N 3.45Å; V459-T463 VanDerWaalsContact O-CB 3.29Å; V459-T463 WeakPolarHBondContact O-CB 3.49Å; V459-T463 PolarHBondContact O-N 2.81Å; V459-T463 PolarHBondContact O-OG1 2.9Å
460	D	89.5	Confident	88.1	Confident	110 Å²	110	53.1 Å²	53.1	59%	0.588	26%	0.264	S	S	*	.	H	α-helix	trans	-66	-42.9	178.6	-171.2	54.4	0	0	0	111.8	Y456 I458 T463 T464	Y456-D460 VanDerWaalsContact O-CB 3.25Å; Y456-D460 WeakPolarHBondContact O-CB 3.46Å; Y456-D460 PolarHBondContact O-N 3.23Å; I458-D460 PolarHBondContact O-N 2.7Å; D460-T463 PolarHBondContact O-N 3.31Å; D460-T464 WeakPolarHBondContact O-CB 3.19Å; D460-T464 PolarHBondContact O-N 2.94Å; D460-T464 PolarHBondContact O-OG1 3.48Å
461	A	90.2	Very high	88.4	Confident	16 Å²	16	49.1 Å²	49.1	13%	0.132	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-42.6	174.7	0	0	0	0	0	112.7	L391 W394 A457 I458 T463 T464 I465	L391-A461 HydrophobicContact CD1-CB 4.14Å; W394-A461 HydrophobicContact CE3-CB 4.43Å; W394-A461 HydrophobicContact CZ3-CB 3.82Å; A457-A461 WeakPolarHBondContact O-CB 3.26Å; A457-A461 PolarHBondContact O-N 3.26Å; I458-A461 PolarHBondContact O-N 3.37Å; A461-T463 VanDerWaalsContact C-N 3.29Å; A461-T463 PolarHBondContact O-N 2.84Å; A461-T464 PolarHBondContact O-N 2.91Å; A461-I465 WeakPolarHBondContact O-CB 3.43Å; A461-I465 VanDerWaalsContact O-CG1 3.28Å; A461-I465 WeakPolarHBondContact O-CG1 3.4Å; A461-I465 PolarHBondContact O-N 2.79Å
462	E	91.1	Very high	88.7	Confident	3 Å²	3	52.7 Å²	52.7	1%	0.014	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-41.5	172.9	-76.2	178.7	162.8	0	0	111.5	R380 F381 V383 L391 I458 V459 I465 M466	R380-E462 IonicContact CZ-OE2 3.08Å; R380-E462 IonicContact NE-OE2 3.66Å; R380-E462 PolarHBondContact NE-OE2 2.82Å; R380-E462 IonicContact NH2-OE1 2.67Å; R380-E462 PolarHBondContact NH2-OE1 3.08Å; R380-E462 IonicContact NH2-OE2 3.98Å; R380-E462 PolarHBondContact NH2-OE2 2.97Å; F381-E462 HydrophobicContact CD1-CB 4.41Å; F381-E462 VanDerWaalsContact O-CD 3.29Å; F381-E462 VanDerWaalsContact O-OE2 3.12Å; V383-E462 HydrophobicContact CG2-CG 4.15Å; L391-E462 HydrophobicContact CD1-CG 4.22Å; L391-E462 HydrophobicContact CD2-CG 4.03Å; I458-E462 HydrophobicContact CG2-CG 4.46Å; I458-E462 WeakPolarHBondContact O-CB 3.35Å; I458-E462 WeakPolarHBondContact O-CG 3.38Å; I458-E462 PolarHBondContact O-N 3.37Å; V459-E462 PolarHBondContact O-N 3.45Å; E462-I465 PolarHBondContact O-N 2.82Å; E462-M466 VanDerWaalsContact O-CB 3.25Å; E462-M466 WeakPolarHBondContact O-CB 3.28Å; E462-M466 PolarHBondContact O-N 3Å
463	T	89.3	Confident	89.2	Confident	50 Å²	50	52.2 Å²	52.2	31%	0.307	26%	0.264	S	S	.	.	H	α-helix	trans	-66.4	-41.5	177.6	-58.9	0	0	0	0	111.5	V459 D460 A461 M466 H467	V459-T463 VanDerWaalsContact O-CB 3.29Å; V459-T463 WeakPolarHBondContact O-CB 3.49Å; V459-T463 PolarHBondContact O-N 2.81Å; V459-T463 PolarHBondContact O-OG1 2.9Å; D460-T463 PolarHBondContact O-N 3.31Å; A461-T463 VanDerWaalsContact C-N 3.29Å; A461-T463 PolarHBondContact O-N 2.84Å; T463-M466 HydrophobicContact CG2-CE 4.26Å; T463-M466 WeakPolarHBondContact O-CB 3.25Å; T463-M466 PolarHBondContact O-N 3.19Å; T463-H467 PolarHBondContact O-CD2 3.41Å; T463-H467 PolarHBondContact O-N 2.8Å
464	T	91	Very high	89.5	Confident	62 Å²	62	48.7 Å²	48.7	38%	0.38	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-46.7	176.1	-60.7	0	0	0	0	111.1	D460 A461 M466 H467 H468	D460-T464 WeakPolarHBondContact O-CB 3.19Å; D460-T464 PolarHBondContact O-N 2.94Å; D460-T464 PolarHBondContact O-OG1 3.48Å; A461-T464 PolarHBondContact O-N 2.91Å; T464-M466 VanDerWaalsContact C-N 3.32Å; T464-M466 PolarHBondContact O-N 3.01Å; T464-H467 PolarHBondContact O-N 3.38Å; T464-H468 PolarHBondContact O-CD2 3.29Å; T464-H468 VanDerWaalsContact O-CD2 3.22Å; T464-H468 PolarHBondContact O-N 3.05Å
465	I	90.7	Very high	89.7	Confident	28 Å²	28	54.2 Å²	54.2	14%	0.144	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-41.9	175.2	-67.7	165.8	0	0	0	110.5	V369 F381 V383 D388 L391 A461 E462 H467 H468 L469	V369-I465 HydrophobicContact CG1-CG2 4.12Å; F381-I465 HydrophobicContact CE1-CG2 4.36Å; V383-I465 HydrophobicContact CG1-CD1 4.35Å; V383-I465 HydrophobicContact CG2-CB 4.18Å; V383-I465 HydrophobicContact CG2-CD1 3.99Å; V383-I465 HydrophobicContact CG2-CG2 3.83Å; D388-I465 HydrophobicContact CB-CD1 3.95Å; L391-I465 HydrophobicContact CD2-CD1 3.98Å; A461-I465 WeakPolarHBondContact O-CB 3.43Å; A461-I465 VanDerWaalsContact O-CG1 3.28Å; A461-I465 WeakPolarHBondContact O-CG1 3.4Å; A461-I465 PolarHBondContact O-N 2.79Å; E462-I465 PolarHBondContact O-N 2.82Å; I465-H467 PolarHBondContact O-N 2.82Å; I465-H468 PolarHBondContact O-N 2.81Å; I465-L469 VanDerWaalsContact O-CB 3.29Å; I465-L469 WeakPolarHBondContact O-CB 3.24Å; I465-L469 PolarHBondContact O-N 2.77Å
466	M	90.6	Very high	90	Very high	25 Å²	25	56.3 Å²	56.3	12%	0.123	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-45.8	176.2	-176	-168.9	62.7	0	0	111.5	W319 F381 E462 T463 T464 L469 Q470	W319-M466 HydrophobicContact CZ2-CG 3.62Å; F381-M466 HydrophobicContact CB-SD 4.18Å; F381-M466 HydrophobicContact CD1-CB 3.74Å; F381-M466 HydrophobicContact CD1-CG 4.25Å; F381-M466 HydrophobicContact CD2-CB 4.42Å; F381-M466 HydrophobicContact CD2-CG 4.08Å; F381-M466 HydrophobicContact CE1-CB 3.76Å; F381-M466 HydrophobicContact CE1-CG 4.42Å; F381-M466 HydrophobicContact CE2-CB 4.42Å; F381-M466 HydrophobicContact CE2-CG 4.24Å; F381-M466 HydrophobicContact CG-CB 4.07Å; F381-M466 HydrophobicContact CG-CG 4.06Å; F381-M466 HydrophobicContact CG-SD 4.29Å; F381-M466 HydrophobicContact CZ-CB 4.12Å; F381-M466 HydrophobicContact CZ-CG 4.42Å; E462-M466 VanDerWaalsContact O-CB 3.25Å; E462-M466 WeakPolarHBondContact O-CB 3.28Å; E462-M466 PolarHBondContact O-N 3Å; T463-M466 HydrophobicContact CG2-CE 4.26Å; T463-M466 WeakPolarHBondContact O-CB 3.25Å; T463-M466 PolarHBondContact O-N 3.19Å; T464-M466 VanDerWaalsContact C-N 3.32Å; T464-M466 PolarHBondContact O-N 3.01Å; M466-L469 WeakPolarHBondContact O-CB 3.42Å; M466-L469 PolarHBondContact O-N 3.23Å; M466-Q470 WeakPolarHBondContact O-CG 3.04Å; M466-Q470 PolarHBondContact O-N 3.46Å
467	H	90.3	Very high	90.1	Very high	67 Å²	67	50.2 Å²	50.2	31%	0.31	26%	0.257	S	S	.	.	H	α-helix	trans	-64.1	-44.8	177.7	-75	-48.7	0	0	0	112.2	T463 T464 I465 L469 Q470 D471	T463-H467 PolarHBondContact O-CD2 3.41Å; T463-H467 PolarHBondContact O-N 2.8Å; T464-H467 PolarHBondContact O-N 3.38Å; I465-H467 PolarHBondContact O-N 2.82Å; H467-L469 PolarHBondContact O-N 3.34Å; H467-Q470 PolarHBondContact ND1-OE1 3.18Å; H467-Q470 VanDerWaalsContact ND1-OE1 3.13Å; H467-Q470 WeakPolarHBondContact O-CB 3.22Å; H467-Q470 PolarHBondContact O-N 2.87Å; H467-Q470 VanDerWaalsContact O-N 3.14Å; H467-D471 PolarHBondContact O-N 3.32Å
468	H	90.2	Very high	90	Very high	122 Å²	122	54.7 Å²	54.7	57%	0.565	27%	0.274	S	S	*	.	H	α-helix	trans	-59.7	-36.7	172.7	-72.3	-47.5	0	0	0	112.6	T464 I465 R472	T464-H468 PolarHBondContact O-CD2 3.29Å; T464-H468 VanDerWaalsContact O-CD2 3.22Å; T464-H468 PolarHBondContact O-N 3.05Å; I465-H468 PolarHBondContact O-N 2.81Å; H468-R472 WeakPolarHBondContact O-CB 3.13Å; H468-R472 PolarHBondContact O-N 3.23Å; H468-R472 VanDerWaalsContact O-N 3.15Å
469	L	90.5	Very high	90	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-42.9	175.8	-164.9	78.2	0	0	0	111.4	W319 W365 L366 V369 I370 F381 I465 M466 H467 L473	W319-L469 HydrophobicContact CD2-CD2 4.5Å; W319-L469 HydrophobicContact CE3-CD2 3.91Å; W319-L469 HydrophobicContact CH2-CB 4.1Å; W319-L469 HydrophobicContact CH2-CD2 3.62Å; W319-L469 HydrophobicContact CH2-CG 3.93Å; W319-L469 HydrophobicContact CZ2-CD2 4.24Å; W319-L469 HydrophobicContact CZ3-CD2 3.44Å; W319-L469 VanDerWaalsContact CZ3-CD2 3.44Å; W319-L469 HydrophobicContact CZ3-CG 3.93Å; W365-L469 HydrophobicContact CD2-CD1 4.32Å; W365-L469 HydrophobicContact CE3-CD1 4.19Å; W365-L469 HydrophobicContact CH2-CB 4.42Å; W365-L469 HydrophobicContact CH2-CD1 3.06Å; W365-L469 HydrophobicContact CH2-CG 3.82Å; W365-L469 HydrophobicContact CZ2-CD1 3.18Å; W365-L469 HydrophobicContact CZ2-CG 4.34Å; W365-L469 HydrophobicContact CZ3-CD1 3.6Å; W365-L469 HydrophobicContact CZ3-CG 4.25Å; L366-L469 HydrophobicContact CD2-CD1 4.02Å; L366-L469 HydrophobicContact CD2-CD2 3.82Å; L366-L469 HydrophobicContact CD2-CG 3.95Å; V369-L469 HydrophobicContact CB-CD1 4.08Å; V369-L469 HydrophobicContact CG1-CD1 3.93Å; V369-L469 HydrophobicContact CG1-CD2 4.44Å; V369-L469 HydrophobicContact CG2-CD1 4.16Å; I370-L469 HydrophobicContact CD1-CD2 3.64Å; I370-L469 HydrophobicContact CG1-CD2 3.81Å; F381-L469 HydrophobicContact CE2-CD2 3.88Å; F381-L469 HydrophobicContact CZ-CD2 3.83Å; I465-L469 VanDerWaalsContact O-CB 3.29Å; I465-L469 WeakPolarHBondContact O-CB 3.24Å; I465-L469 PolarHBondContact O-N 2.77Å; M466-L469 WeakPolarHBondContact O-CB 3.42Å; M466-L469 PolarHBondContact O-N 3.23Å; H467-L469 PolarHBondContact O-N 3.34Å; L469-L473 WeakPolarHBondContact O-CB 3.24Å; L469-L473 PolarHBondContact O-N 2.84Å
470	Q	91.8	Very high	90.2	Very high	2 Å²	2	53 Å²	53	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-52.9	175.8	-72.7	171.5	-11.7	0	0	111	M309 W319 M466 H467 R472 L473 L474	M309-Q470 HydrophobicContact CG-CG 4.32Å; W319-Q470 HydrophobicContact CH2-CB 4.43Å; W319-Q470 HydrophobicContact CH2-CG 3.52Å; W319-Q470 HydrophobicContact CZ2-CG 3.52Å; M466-Q470 WeakPolarHBondContact O-CG 3.04Å; M466-Q470 PolarHBondContact O-N 3.46Å; H467-Q470 PolarHBondContact ND1-OE1 3.18Å; H467-Q470 VanDerWaalsContact ND1-OE1 3.13Å; H467-Q470 WeakPolarHBondContact O-CB 3.22Å; H467-Q470 PolarHBondContact O-N 2.87Å; H467-Q470 VanDerWaalsContact O-N 3.14Å; Q470-R472 VanDerWaalsContact C-N 3.26Å; Q470-R472 PolarHBondContact O-N 3.36Å; Q470-L473 PolarHBondContact O-N 3.45Å; Q470-L473 VanDerWaalsContact O-N 3.11Å; Q470-L474 VanDerWaalsContact O-CG 3.3Å; Q470-L474 WeakPolarHBondContact O-CG 3.36Å; Q470-L474 PolarHBondContact O-N 3.26Å
471	D	90.9	Very high	90.1	Very high	99 Å²	99	50.2 Å²	50.2	53%	0.529	25%	0.249	S	C	.	.	H	α-helix	trans	-56.3	-43.6	-178.8	-72	-22.2	0	0	0	111.4	H467 L474 I475	H467-D471 PolarHBondContact O-N 3.32Å; D471-L474 WeakPolarHBondContact O-CB 3.29Å; D471-L474 PolarHBondContact O-N 3.02Å; D471-I475 PolarHBondContact O-N 2.96Å
472	R	90.6	Very high	90	Very high	124 Å²	124	52.4 Å²	52.4	47%	0.468	26%	0.257	S	S	.	.	H	α-helix	trans	-71.9	-35.3	179	-177.1	167.7	179.3	-170.6	4.1	113	W365 H468 Q470 L474 I475 Y476	W365-R472 HydrophobicContact CH2-CB 3.69Å; W365-R472 HydrophobicContact CH2-CG 3.67Å; W365-R472 HydrophobicContact CZ2-CB 4.3Å; W365-R472 HydrophobicContact CZ2-CG 4.1Å; W365-R472 HydrophobicContact CZ3-CB 4.44Å; W365-R472 HydrophobicContact CZ3-CG 4.19Å; H468-R472 WeakPolarHBondContact O-CB 3.13Å; H468-R472 PolarHBondContact O-N 3.23Å; H468-R472 VanDerWaalsContact O-N 3.15Å; Q470-R472 VanDerWaalsContact C-N 3.26Å; Q470-R472 PolarHBondContact O-N 3.36Å; R472-L474 VanDerWaalsContact C-N 3.3Å; R472-I475 WeakPolarHBondContact O-CB 3.49Å; R472-I475 PolarHBondContact O-N 2.88Å; R472-Y476 HydrophobicContact CG-CE2 4.49Å; R472-Y476 VanDerWaalsContact O-CD2 3.31Å; R472-Y476 WeakPolarHBondContact O-CD2 3.39Å
473	L	91.3	Very high	90	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-39.1	171.7	-173.1	154.1	0	0	0	110.8	M309 W319 I322 L366 L469 Q470 I475 Y476 T477 I480	M309-L473 HydrophobicContact CE-CD1 4.19Å; M309-L473 HydrophobicContact SD-CD1 4.13Å; M309-L473 HydrophobicContact SD-CD2 3.73Å; M309-L473 HydrophobicContact SD-CG 4.47Å; W319-L473 HydrophobicContact CZ3-CD1 4.13Å; I322-L473 HydrophobicContact CG1-CD1 4.41Å; L366-L473 HydrophobicContact CD1-CD1 4.07Å; L366-L473 HydrophobicContact CD2-CD1 4.2Å; L469-L473 WeakPolarHBondContact O-CB 3.24Å; L469-L473 PolarHBondContact O-N 2.84Å; Q470-L473 PolarHBondContact O-N 3.45Å; Q470-L473 VanDerWaalsContact O-N 3.11Å; L473-I475 PolarHBondContact O-N 3.46Å; L473-Y476 WeakPolarHBondContact O-CA 3.32Å; L473-Y476 PolarHBondContact O-N 3.3Å; L473-T477 PolarHBondContact O-N 3.14Å; L473-I480 HydrophobicContact CD2-CD1 3.77Å; L473-I480 HydrophobicContact CG-CD1 4.08Å
474	L	90.9	Very high	90.1	Very high	43 Å²	43	50.1 Å²	50.1	23%	0.225	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-27.1	179	-71.7	174	0	0	0	112.9	I306 M309 Q310 Q470 D471 R472 Y476 T477	I306-L474 HydrophobicContact CG2-CD2 4.31Å; M309-L474 HydrophobicContact CB-CD2 4.26Å; Q310-L474 HydrophobicContact CG-CD1 4.33Å; Q310-L474 HydrophobicContact CG-CD2 3.62Å; Q470-L474 VanDerWaalsContact O-CG 3.3Å; Q470-L474 WeakPolarHBondContact O-CG 3.36Å; Q470-L474 PolarHBondContact O-N 3.26Å; D471-L474 WeakPolarHBondContact O-CB 3.29Å; D471-L474 PolarHBondContact O-N 3.02Å; R472-L474 VanDerWaalsContact C-N 3.3Å; L474-Y476 PolarHBondContact O-N 2.98Å; L474-T477 WeakPolarHBondContact CA-OG1 3.28Å; L474-T477 VanDerWaalsContact O-CB 3.24Å; L474-T477 WeakPolarHBondContact O-CB 3.33Å; L474-T477 PolarHBondContact O-N 3.11Å; L474-T477 VanDerWaalsContact O-N 3.16Å; L474-T477 PolarHBondContact O-OG1 2.81Å
475	I	91.8	Very high	90	Very high	130 Å²	130	48.6 Å²	48.6	67%	0.667	23%	0.232	S	C	*	.	H	α-helix	trans	-59.1	-36.9	170.9	-61	171.1	0	0	0	111.2	D471 R472 L473 T477	D471-I475 PolarHBondContact O-N 2.96Å; R472-I475 WeakPolarHBondContact O-CB 3.49Å; R472-I475 PolarHBondContact O-N 2.88Å; L473-I475 PolarHBondContact O-N 3.46Å; I475-T477 VanDerWaalsContact C-N 3.33Å; I475-T477 PolarHBondContact O-N 2.82Å
476	Y	90.7	Very high	90	Very high	77 Å²	77	47.3 Å²	47.3	30%	0.302	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	9.5	-179.7	-59.8	-73.2	0	0	0	114	I358 V362 R472 L473 L474 Q478 S479 I480	I358-Y476 HydrophobicContact CG2-CD1 3.48Å; I358-Y476 VanDerWaalsContact CG2-CD1 3.48Å; I358-Y476 HydrophobicContact CG2-CE1 3.88Å; I358-Y476 HydrophobicContact CG2-CG 4.28Å; V362-Y476 HydrophobicContact CG2-CD1 4.18Å; V362-Y476 HydrophobicContact CG2-CD2 3.67Å; V362-Y476 HydrophobicContact CG2-CE2 4.08Å; V362-Y476 HydrophobicContact CG2-CG 3.71Å; R472-Y476 HydrophobicContact CG-CE2 4.49Å; R472-Y476 VanDerWaalsContact O-CD2 3.31Å; R472-Y476 WeakPolarHBondContact O-CD2 3.39Å; L473-Y476 WeakPolarHBondContact O-CA 3.32Å; L473-Y476 PolarHBondContact O-N 3.3Å; L474-Y476 PolarHBondContact O-N 2.98Å; Y476-Q478 PolarHBondContact O-N 2.87Å; Y476-Q478 VanDerWaalsContact O-N 3.13Å; Y476-S479 PolarHBondContact O-N 2.75Å; Y476-S479 VanDerWaalsContact O-N 3.07Å; Y476-I480 WeakPolarHBondContact O-CG1 3.45Å; Y476-I480 PolarHBondContact O-N 2.9Å
477	T	88.5	Confident	90.2	Very high	14 Å²	14	46.2 Å²	46.2	9%	0.086	22%	0.22	C	C	.	.	H	α-helix	trans	-49.4	-43.7	-178.4	-65.6	0	0	0	0	112.2	I306 L473 L474 I475 I480 L481	I306-T477 HydrophobicContact CD1-CG2 4.34Å; I306-T477 HydrophobicContact CG2-CG2 3.95Å; L473-T477 PolarHBondContact O-N 3.14Å; L474-T477 WeakPolarHBondContact CA-OG1 3.28Å; L474-T477 VanDerWaalsContact O-CB 3.24Å; L474-T477 WeakPolarHBondContact O-CB 3.33Å; L474-T477 PolarHBondContact O-N 3.11Å; L474-T477 VanDerWaalsContact O-N 3.16Å; L474-T477 PolarHBondContact O-OG1 2.81Å; I475-T477 VanDerWaalsContact C-N 3.33Å; I475-T477 PolarHBondContact O-N 2.82Å; T477-I480 PolarHBondContact O-N 3.28Å; T477-L481 HydrophobicContact CG2-CD1 3.72Å; T477-L481 HydrophobicContact CG2-CG 4.12Å; T477-L481 WeakPolarHBondContact O-CB 3.23Å; T477-L481 VanDerWaalsContact O-CG 3.26Å; T477-L481 WeakPolarHBondContact O-CG 2.97Å; T477-L481 PolarHBondContact O-N 3.18Å
478	Q	85	Confident	90.3	Very high	119 Å²	119	43 Å²	43	56%	0.556	21%	0.205	S	C	*	.	H	α-helix	trans	-63.8	-44.4	-178.5	-65.6	-61.6	-51.9	0	0	112.5	Y476 I480 L481 Q482	Y476-Q478 PolarHBondContact O-N 2.87Å; Y476-Q478 VanDerWaalsContact O-N 3.13Å; Q478-I480 VanDerWaalsContact C-N 3.34Å; Q478-I480 PolarHBondContact O-N 3.5Å; Q478-L481 PolarHBondContact O-N 2.99Å; Q478-Q482 VanDerWaalsContact O-CG 3.3Å; Q478-Q482 WeakPolarHBondContact O-CG 3.28Å; Q478-Q482 PolarHBondContact O-N 3.37Å
479	S	88.9	Confident	90.5	Very high	18 Å²	18	38.1 Å²	38.1	13%	0.126	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-40.2	177	-51.6	0	0	0	0	111.5	F354 Y476 Q482 A483	F354-S479 WeakPolarHBondContact CE2-O 3.42Å; Y476-S479 PolarHBondContact O-N 2.75Å; Y476-S479 VanDerWaalsContact O-N 3.07Å; S479-Q482 PolarHBondContact O-N 3.06Å; S479-A483 PolarHBondContact O-N 2.78Å
480	I	90	Very high	90.7	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.3	-42.9	176.8	-62.3	170.9	0	0	0	110.7	T302 I306 L326 I359 L473 Y476 T477 Q478 Q482 A483 S484	T302-I480 HydrophobicContact CG2-CG2 4.46Å; I306-I480 HydrophobicContact CD1-CG2 4.12Å; L326-I480 HydrophobicContact CD2-CG1 4.12Å; L326-I480 HydrophobicContact CD2-CG2 4.41Å; I359-I480 HydrophobicContact CD1-CG1 4.4Å; L473-I480 HydrophobicContact CD2-CD1 3.77Å; L473-I480 HydrophobicContact CG-CD1 4.08Å; Y476-I480 WeakPolarHBondContact O-CG1 3.45Å; Y476-I480 PolarHBondContact O-N 2.9Å; T477-I480 PolarHBondContact O-N 3.28Å; Q478-I480 VanDerWaalsContact C-N 3.34Å; Q478-I480 PolarHBondContact O-N 3.5Å; I480-Q482 VanDerWaalsContact C-N 3.35Å; I480-A483 PolarHBondContact O-N 3.5Å; I480-S484 WeakPolarHBondContact O-CB 3.43Å; I480-S484 PolarHBondContact O-N 3.25Å
481	L	88.3	Confident	90.9	Very high	53 Å²	53	37.9 Å²	37.9	28%	0.277	18%	0.181	S	C	.	.	H	α-helix	trans	-65.5	-37.3	176.6	-71.1	176.7	0	0	0	111.8	Q303 I306 T477 Q478 S484 Q485	Q303-L481 HydrophobicContact CG-CD2 4.13Å; I306-L481 HydrophobicContact CD1-CD2 3.73Å; I306-L481 HydrophobicContact CD1-CG 4.09Å; T477-L481 HydrophobicContact CG2-CD1 3.72Å; T477-L481 HydrophobicContact CG2-CG 4.12Å; T477-L481 WeakPolarHBondContact O-CB 3.23Å; T477-L481 VanDerWaalsContact O-CG 3.26Å; T477-L481 WeakPolarHBondContact O-CG 2.97Å; T477-L481 PolarHBondContact O-N 3.18Å; Q478-L481 PolarHBondContact O-N 2.99Å; L481-S484 CarbonylContact O-C 3.53Å; L481-S484 WeakPolarHBondContact O-CB 3.45Å; L481-S484 PolarHBondContact O-N 2.98Å; L481-Q485 WeakPolarHBondContact O-CB 3.03Å; L481-Q485 PolarHBondContact O-N 3.32Å
482	Q	88	Confident	91.2	Very high	62 Å²	62	33.2 Å²	33.2	29%	0.29	16%	0.156	S	C	.	.	H	α-helix	trans	-64.4	-44.9	173.8	-74.9	173.9	-29.9	0	0	112.2	F354 Q478 S479 I480 S484 Q485 F486	F354-Q482 HydrophobicContact CD2-CB 3.72Å; F354-Q482 HydrophobicContact CE2-CB 4.1Å; F354-Q482 HydrophobicContact CG-CB 4.38Å; Q478-Q482 VanDerWaalsContact O-CG 3.3Å; Q478-Q482 WeakPolarHBondContact O-CG 3.28Å; Q478-Q482 PolarHBondContact O-N 3.37Å; S479-Q482 PolarHBondContact O-N 3.06Å; I480-Q482 VanDerWaalsContact C-N 3.35Å; Q482-S484 VanDerWaalsContact C-N 3.26Å; Q482-S484 PolarHBondContact O-N 3.47Å; Q482-Q485 PolarHBondContact O-N 3.08Å; Q482-F486 WeakPolarHBondContact O-CB 3.25Å; Q482-F486 PolarHBondContact O-N 3.47Å
483	A	90.8	Very high	91.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.2	-33.3	173.6	0	0	0	0	0	112.1	M329 F354 I359 S479 I480 F486 A487	M329-A483 HydrophobicContact CB-CB 4.32Å; M329-A483 HydrophobicContact CG-CB 4.39Å; M329-A483 HydrophobicContact SD-CB 3.73Å; F354-A483 HydrophobicContact CE2-CB 4.14Å; F354-A483 HydrophobicContact CZ-CB 3.87Å; I359-A483 HydrophobicContact CD1-CB 3.9Å; I359-A483 HydrophobicContact CG1-CB 4.1Å; S479-A483 PolarHBondContact O-N 2.78Å; I480-A483 PolarHBondContact O-N 3.5Å; A483-F486 WeakPolarHBondContact O-CB 3.36Å; A483-A487 PolarHBondContact O-N 3.34Å; A483-A487 VanDerWaalsContact O-N 3.08Å
484	S	90.7	Very high	91.8	Very high	5 Å²	5	27.3 Å²	27.3	4%	0.035	13%	0.134	C	C	.	.	H	α-helix	trans	-68.3	-39.7	173.2	-168.1	0	0	0	0	112.9	T302 I480 L481 Q482 A487 A488	T302-S484 PolarHBondContact OG1-OG 3.41Å; I480-S484 WeakPolarHBondContact O-CB 3.43Å; I480-S484 PolarHBondContact O-N 3.25Å; L481-S484 CarbonylContact O-C 3.53Å; L481-S484 WeakPolarHBondContact O-CB 3.45Å; L481-S484 PolarHBondContact O-N 2.98Å; Q482-S484 VanDerWaalsContact C-N 3.26Å; Q482-S484 PolarHBondContact O-N 3.47Å; S484-A487 PolarHBondContact O-N 3.05Å; S484-A488 WeakPolarHBondContact O-CB 3.28Å; S484-A488 PolarHBondContact O-N 3.13Å
485	Q	88.6	Confident	92.1	Very high	29 Å²	29	25.2 Å²	25.2	14%	0.136	12%	0.123	C	C	.	.	H	α-helix	trans	-65.2	-44	175.8	-175.3	60.4	21	0	0	110.3	E255 L349 L481 Q482 A487 A488 E489	E255-Q485 PolarHBondContact OE1-NE2 3.37Å; E255-Q485 PolarHBondContact OE2-NE2 3.24Å; L349-Q485 HydrophobicContact CD1-CG 4.39Å; L481-Q485 WeakPolarHBondContact O-CB 3.03Å; L481-Q485 PolarHBondContact O-N 3.32Å; Q482-Q485 PolarHBondContact O-N 3.08Å; Q485-A487 VanDerWaalsContact C-N 3.34Å; Q485-A487 PolarHBondContact O-N 3.14Å; Q485-A488 WeakPolarHBondContact O-CB 3.08Å; Q485-A488 PolarHBondContact O-N 3.04Å; Q485-A488 VanDerWaalsContact O-N 3.14Å; Q485-E489 HydrophobicContact CG-CG 4.45Å; Q485-E489 PolarHBondContact NE2-OE1 3.13Å; Q485-E489 WeakPolarHBondContact O-CG 3.36Å; Q485-E489 PolarHBondContact O-N 3.12Å
486	F	91.9	Very high	92.3	Very high	2 Å²	2	19 Å²	19	1%	0.009	9%	0.092	C	C	.	.	H	α-helix	trans	-51.8	-51.2	172.1	177.4	-81.5	0	0	0	112.2	L332 I333 C336 V346 L349 F350 Q482 A483 A488 E489 I490	L332-F486 HydrophobicContact CB-CE1 4.09Å; I333-F486 HydrophobicContact CG1-CD1 4Å; I333-F486 HydrophobicContact CG1-CE1 3.87Å; I333-F486 HydrophobicContact CG1-CE2 4.38Å; I333-F486 HydrophobicContact CG1-CG 4.37Å; I333-F486 HydrophobicContact CG1-CZ 4.09Å; C336-F486 HydrophobicContact CB-CZ 3.84Å; V346-F486 HydrophobicContact CB-CE2 4.47Å; V346-F486 HydrophobicContact CG1-CD2 3.31Å; V346-F486 HydrophobicContact CG1-CE1 4.44Å; V346-F486 HydrophobicContact CG1-CE2 2.98Å; V346-F486 HydrophobicContact CG1-CG 4.17Å; V346-F486 HydrophobicContact CG1-CZ 3.61Å; L349-F486 HydrophobicContact CD1-CB 3.84Å; L349-F486 HydrophobicContact CD1-CD2 4.33Å; F350-F486 HydrophobicContact CD2-CE2 4.03Å; F350-F486 HydrophobicContact CE1-CE2 4.22Å; F350-F486 HydrophobicContact CE2-CD2 4.45Å; F350-F486 AromaticContact CE2-CE2 3.33Å; F350-F486 HydrophobicContact CE2-CE2 3.33Å; F350-F486 AromaticContact CE2-CZ 3.87Å; F350-F486 HydrophobicContact CE2-CZ 3.87Å; F350-F486 AromaticContact CZ-CE2 3.42Å; F350-F486 HydrophobicContact CZ-CE2 3.42Å; F350-F486 VanDerWaalsContact CZ-CE2 3.42Å; F350-F486 AromaticContact CZ-CZ 3.7Å; F350-F486 HydrophobicContact CZ-CZ 3.7Å; Q482-F486 WeakPolarHBondContact O-CB 3.25Å; Q482-F486 PolarHBondContact O-N 3.47Å; A483-F486 WeakPolarHBondContact O-CB 3.36Å; F486-A488 VanDerWaalsContact C-N 3.33Å; F486-A488 PolarHBondContact O-N 2.79Å; F486-E489 PolarHBondContact O-N 3.37Å; F486-I490 HydrophobicContact CD1-CG1 4.4Å; F486-I490 HydrophobicContact CE1-CG1 4Å; F486-I490 HydrophobicContact CZ-CG1 4.23Å; F486-I490 WeakPolarHBondContact O-CG1 3.18Å; F486-I490 PolarHBondContact O-N 3.04Å
487	A	93.8	Very high	92.7	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-63.5	-40.2	179.3	0	0	0	0	0	111.7	M329 L332 A483 S484 Q485 D491	M329-A487 HydrophobicContact CE-CB 4.47Å; L332-A487 HydrophobicContact CD1-CB 4.05Å; A483-A487 PolarHBondContact O-N 3.34Å; A483-A487 VanDerWaalsContact O-N 3.08Å; S484-A487 PolarHBondContact O-N 3.05Å; Q485-A487 VanDerWaalsContact C-N 3.34Å; Q485-A487 PolarHBondContact O-N 3.14Å; A487-D491 VanDerWaalsContact O-CB 3.31Å; A487-D491 WeakPolarHBondContact O-CB 3.48Å; A487-D491 PolarHBondContact O-N 3.22Å
488	A	92.9	Very high	93	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-64.1	-43.4	178.6	0	0	0	0	0	112.6	Q251 E255 S484 Q485 F486 D491 C492	Q251-A488 HydrophobicContact CB-CB 3.89Å; E255-A488 HydrophobicContact CB-CB 3.95Å; E255-A488 HydrophobicContact CG-CB 4.36Å; S484-A488 WeakPolarHBondContact O-CB 3.28Å; S484-A488 PolarHBondContact O-N 3.13Å; Q485-A488 WeakPolarHBondContact O-CB 3.08Å; Q485-A488 PolarHBondContact O-N 3.04Å; Q485-A488 VanDerWaalsContact O-N 3.14Å; F486-A488 VanDerWaalsContact C-N 3.33Å; F486-A488 PolarHBondContact O-N 2.79Å; A488-D491 PolarHBondContact O-N 2.91Å; A488-C492 PolarHBondContact O-N 2.97Å; A488-C492 PolarHBondContact O-SG 3.24Å
489	E	93.9	Very high	93.5	Very high	19 Å²	19	10.4 Å²	10.4	9%	0.089	5%	0.053	C	C	.	.	H	α-helix	trans	-68.5	-41.2	179.1	-68.5	175.5	177.4	0	0	112.1	E255 W259 P345 V346 Q485 F486 D491 C492 L493	E255-E489 HydrophobicContact CG-CG 4.34Å; W259-E489 HydrophobicContact CZ2-CB 4.13Å; W259-E489 HydrophobicContact CZ2-CG 4.05Å; P345-E489 HydrophobicContact CG-CG 4.3Å; V346-E489 HydrophobicContact CG2-CB 3.6Å; Q485-E489 HydrophobicContact CG-CG 4.45Å; Q485-E489 PolarHBondContact NE2-OE1 3.13Å; Q485-E489 WeakPolarHBondContact O-CG 3.36Å; Q485-E489 PolarHBondContact O-N 3.12Å; F486-E489 PolarHBondContact O-N 3.37Å; E489-D491 VanDerWaalsContact C-N 3.33Å; E489-C492 WeakPolarHBondContact O-CB 3.43Å; E489-C492 PolarHBondContact O-N 3.16Å; E489-L493 WeakPolarHBondContact O-CG 3.27Å; E489-L493 PolarHBondContact O-N 2.94Å
490	I	95.5	Very high	93.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.4	-42.6	172.4	-73.5	-67.8	0	0	0	110.9	I292 L343 V346 F486 C492 L493 C494	I292-I490 HydrophobicContact CD1-CG2 4.19Å; I292-I490 HydrophobicContact CG2-CG2 3.63Å; L343-I490 HydrophobicContact CD1-CD1 4.03Å; V346-I490 HydrophobicContact CB-CD1 4.1Å; V346-I490 HydrophobicContact CB-CG1 4.37Å; V346-I490 HydrophobicContact CG1-CD1 3.92Å; V346-I490 HydrophobicContact CG1-CG1 3.95Å; V346-I490 HydrophobicContact CG2-CD1 3.65Å; V346-I490 HydrophobicContact CG2-CG1 3.66Å; F486-I490 HydrophobicContact CD1-CG1 4.4Å; F486-I490 HydrophobicContact CE1-CG1 4Å; F486-I490 HydrophobicContact CZ-CG1 4.23Å; F486-I490 WeakPolarHBondContact O-CG1 3.18Å; F486-I490 PolarHBondContact O-N 3.04Å; I490-C492 VanDerWaalsContact C-N 3.3Å; I490-C492 PolarHBondContact O-N 2.66Å; I490-L493 PolarHBondContact O-N 3.33Å; I490-C494 WeakPolarHBondContact O-CB 3.46Å; I490-C494 PolarHBondContact O-N 2.84Å; I490-C494 PolarHBondContact O-SG 2.68Å
491	D	96.9	Very high	94.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.7	-39.2	177.2	-163.3	17.1	0	0	0	111.3	C247 L248 T249 L296 A487 A488 E489 C494 A495	C247-D491 VanDerWaalsContact CA-OD1 3.31Å; C247-D491 WeakPolarHBondContact CA-OD1 3.01Å; C247-D491 WeakPolarHBondContact CB-OD2 3.05Å; L248-D491 PolarHBondContact N-OD1 2.72Å; L248-D491 PolarHBondContact N-OD2 3.46Å; T249-D491 WeakPolarHBondContact CB-OD2 3.42Å; T249-D491 PolarHBondContact N-OD2 3.31Å; T249-D491 PolarHBondContact OG1-OD2 3.3Å; L296-D491 HydrophobicContact CD1-CB 4.01Å; L296-D491 HydrophobicContact CD2-CB 4.14Å; A487-D491 VanDerWaalsContact O-CB 3.31Å; A487-D491 WeakPolarHBondContact O-CB 3.48Å; A487-D491 PolarHBondContact O-N 3.22Å; A488-D491 PolarHBondContact O-N 2.91Å; E489-D491 VanDerWaalsContact C-N 3.33Å; D491-C494 WeakPolarHBondContact O-CB 3.32Å; D491-C494 PolarHBondContact O-N 3.4Å; D491-A495 WeakPolarHBondContact O-CB 3.47Å; D491-A495 PolarHBondContact O-N 2.88Å
492	C	96.6	Very high	94.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-45.1	174	-65.4	0	0	0	0	112.7	G252 L256 W259 A488 E489 I490 C494 A495 F496	G252-C492 PolarHBondContact O-SG 3.47Å; L256-C492 PolarHBondContact N-SG 3.22Å; W259-C492 HydrophobicContact CD2-CB 4.26Å; W259-C492 HydrophobicContact CE3-CB 3.75Å; W259-C492 HydrophobicContact CH2-CB 3.63Å; W259-C492 HydrophobicContact CZ2-CB 4.14Å; W259-C492 HydrophobicContact CZ3-CB 3.41Å; W259-C492 VanDerWaalsContact CZ3-CB 3.41Å; A488-C492 PolarHBondContact O-N 2.97Å; A488-C492 PolarHBondContact O-SG 3.24Å; E489-C492 WeakPolarHBondContact O-CB 3.43Å; E489-C492 PolarHBondContact O-N 3.16Å; I490-C492 VanDerWaalsContact C-N 3.3Å; I490-C492 PolarHBondContact O-N 2.66Å; C492-C494 VanDerWaalsContact C-N 3.34Å; C492-A495 WeakPolarHBondContact O-CB 3.29Å; C492-A495 PolarHBondContact O-N 2.83Å; C492-A495 VanDerWaalsContact O-N 3.17Å; C492-F496 PolarHBondContact O-N 3.31Å
493	L	96.6	Very high	94.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.6	-41.5	175.9	-67.1	173	0	0	0	111.6	W259 A276 F280 Y344 V346 E489 I490 A495 F496 A497	W259-L493 HydrophobicContact CH2-CD2 4.09Å; W259-L493 HydrophobicContact CH2-CG 4.1Å; W259-L493 HydrophobicContact CZ3-CD2 4.12Å; W259-L493 HydrophobicContact CZ3-CG 4.43Å; A276-L493 HydrophobicContact CB-CD1 4.1Å; A276-L493 HydrophobicContact CB-CD2 3.97Å; F280-L493 HydrophobicContact CD2-CB 4.31Å; F280-L493 HydrophobicContact CE2-CB 3.79Å; F280-L493 HydrophobicContact CE2-CD1 4.46Å; Y344-L493 WeakPolarHBondContact O-CD1 3.31Å; V346-L493 HydrophobicContact CG2-CD1 4.37Å; E489-L493 WeakPolarHBondContact O-CG 3.27Å; E489-L493 PolarHBondContact O-N 2.94Å; I490-L493 PolarHBondContact O-N 3.33Å; L493-A495 VanDerWaalsContact C-N 3.27Å; L493-A495 PolarHBondContact O-N 2.91Å; L493-F496 PolarHBondContact O-N 3.42Å; L493-A497 PolarHBondContact O-N 3.34Å
494	C	97.1	Very high	94.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-40.5	173.2	-67.3	0	0	0	0	110.8	L289 I490 D491 C492 A497 M498	L289-C494 HydrophobicContact CD1-CB 3.61Å; L289-C494 VanDerWaalsContact CD1-SG 3.51Å; I490-C494 WeakPolarHBondContact O-CB 3.46Å; I490-C494 PolarHBondContact O-N 2.84Å; I490-C494 PolarHBondContact O-SG 2.68Å; D491-C494 WeakPolarHBondContact O-CB 3.32Å; D491-C494 PolarHBondContact O-N 3.4Å; C492-C494 VanDerWaalsContact C-N 3.34Å; C494-A497 PolarHBondContact O-N 2.98Å; C494-M498 WeakPolarHBondContact O-CB 3.34Å; C494-M498 WeakPolarHBondContact O-CG 3.32Å; C494-M498 PolarHBondContact O-N 3.28Å
495	A	97.1	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-42.5	178.7	0	0	0	0	0	112.2	H246 D491 C492 L493 M498 A499	H246-A495 HydrophobicContact CB-CB 4.09Å; D491-A495 WeakPolarHBondContact O-CB 3.47Å; D491-A495 PolarHBondContact O-N 2.88Å; C492-A495 WeakPolarHBondContact O-CB 3.29Å; C492-A495 PolarHBondContact O-N 2.83Å; C492-A495 VanDerWaalsContact O-N 3.17Å; L493-A495 VanDerWaalsContact C-N 3.27Å; L493-A495 PolarHBondContact O-N 2.91Å; A495-M498 PolarHBondContact O-N 2.74Å; A495-A499 WeakPolarHBondContact O-CB 3.48Å; A495-A499 PolarHBondContact O-N 3.48Å
496	F	97.6	Very high	95.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.8	-44.2	172.3	-73.9	-12.6	0	0	0	112.8	L244 L256 W259 V277 C492 L493 M498 A499 A500 I574	L244-F496 HydrophobicContact CD1-CE1 4.29Å; L244-F496 HydrophobicContact CD2-CD1 4.13Å; L244-F496 HydrophobicContact CD2-CE1 4.3Å; L256-F496 HydrophobicContact CD1-CD1 4.32Å; L256-F496 HydrophobicContact CD1-CE1 3.57Å; L256-F496 HydrophobicContact CD1-CZ 4.03Å; W259-F496 AromaticContact CE3-CE2 3.82Å; W259-F496 HydrophobicContact CE3-CE2 3.82Å; W259-F496 HydrophobicContact CE3-CZ 4.09Å; W259-F496 HydrophobicContact CZ3-CD2 4.44Å; W259-F496 AromaticContact CZ3-CE2 3.99Å; W259-F496 HydrophobicContact CZ3-CE2 3.99Å; V277-F496 HydrophobicContact CG2-CB 3.67Å; V277-F496 HydrophobicContact CG2-CD2 4.25Å; V277-F496 HydrophobicContact CG2-CG 4.49Å; C492-F496 PolarHBondContact O-N 3.31Å; L493-F496 PolarHBondContact O-N 3.42Å; F496-M498 VanDerWaalsContact C-N 3.34Å; F496-M498 PolarHBondContact O-N 3.22Å; F496-A499 PolarHBondContact O-N 3.49Å; F496-A500 VanDerWaalsContact O-CB 3.26Å; F496-A500 WeakPolarHBondContact O-CB 3.33Å; F496-A500 PolarHBondContact O-N 2.77Å; F496-I574 HydrophobicContact CE1-CD1 4.07Å; F496-I574 HydrophobicContact CZ-CB 4.44Å; F496-I574 HydrophobicContact CZ-CD1 3.88Å; F496-I574 HydrophobicContact CZ-CG1 4.16Å
497	A	97.1	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-40.6	176.6	0	0	0	0	0	112.2	V277 F280 L281 L289 L493 C494 A500 K501	V277-A497 HydrophobicContact CG1-CB 4.28Å; F280-A497 HydrophobicContact CB-CB 3.65Å; F280-A497 HydrophobicContact CD2-CB 4.5Å; F280-A497 HydrophobicContact CG-CB 4.42Å; L281-A497 WeakPolarHBondContact CD2-O 3.3Å; L289-A497 HydrophobicContact CD2-CB 4.21Å; L493-A497 PolarHBondContact O-N 3.34Å; C494-A497 PolarHBondContact O-N 2.98Å; A497-A500 PolarHBondContact O-N 3.09Å; A497-K501 WeakPolarHBondContact O-CB 3.26Å; A497-K501 PolarHBondContact O-N 2.89Å
498	M	96.7	Very high	95.6	Very high	29 Å²	29	30.1 Å²	30.1	14%	0.143	14%	0.139	C	C	.	.	H	α-helix	trans	-65	-46.6	175.7	-72.1	-62.2	-72.9	0	0	111.6	H246 L289 C494 A495 F496 A500 K501 H502	H246-M498 HydrophobicContact CB-CB 3.9Å; L289-M498 HydrophobicContact CD2-SD 4.06Å; C494-M498 WeakPolarHBondContact O-CB 3.34Å; C494-M498 WeakPolarHBondContact O-CG 3.32Å; C494-M498 PolarHBondContact O-N 3.28Å; A495-M498 PolarHBondContact O-N 2.74Å; F496-M498 VanDerWaalsContact C-N 3.34Å; F496-M498 PolarHBondContact O-N 3.22Å; M498-A500 VanDerWaalsContact C-N 3.34Å; M498-A500 PolarHBondContact O-N 3.41Å; M498-K501 PolarHBondContact O-N 3.44Å; M498-H502 WeakPolarHBondContact CE-NE2 3.47Å; M498-H502 VanDerWaalsContact O-CB 3.31Å; M498-H502 WeakPolarHBondContact O-CB 3.38Å; M498-H502 PolarHBondContact O-CD2 3.02Å; M498-H502 PolarHBondContact O-N 2.93Å
499	A	95.1	Very high	95.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-46.2	175.8	0	0	0	0	0	110.9	L244 A495 F496 K501 H502 M503	L244-A499 HydrophobicContact CD2-CB 3.91Å; A495-A499 WeakPolarHBondContact O-CB 3.48Å; A495-A499 PolarHBondContact O-N 3.48Å; F496-A499 PolarHBondContact O-N 3.49Å; A499-K501 VanDerWaalsContact C-N 3.34Å; A499-K501 PolarHBondContact O-N 3.11Å; A499-H502 PolarHBondContact O-N 2.67Å; A499-M503 WeakPolarHBondContact O-CB 3.37Å; A499-M503 VanDerWaalsContact O-CG 3.28Å; A499-M503 WeakPolarHBondContact O-CG 3.19Å; A499-M503 PolarHBondContact O-N 2.99Å
500	A	95.9	Very high	95.9	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-44	178.7	0	0	0	0	0	112.3	V277 L281 F496 A497 M498 E504 W505 Y577	V277-A500 HydrophobicContact CG1-CB 4.42Å; L281-A500 HydrophobicContact CD1-CB 4.06Å; F496-A500 VanDerWaalsContact O-CB 3.26Å; F496-A500 WeakPolarHBondContact O-CB 3.33Å; F496-A500 PolarHBondContact O-N 2.77Å; A497-A500 PolarHBondContact O-N 3.09Å; M498-A500 VanDerWaalsContact C-N 3.34Å; M498-A500 PolarHBondContact O-N 3.41Å; A500-E504 WeakPolarHBondContact O-CA 3.48Å; A500-E504 PolarHBondContact O-N 3.24Å; A500-E504 VanDerWaalsContact O-N 3.1Å; A500-W505 PolarHBondContact O-N 3.3Å; A500-Y577 HydrophobicContact CB-CD1 3.91Å; A500-Y577 HydrophobicContact CB-CG 3.84Å
501	K	94.9	Very high	95.7	Very high	122 Å²	122	37.3 Å²	37.3	53%	0.53	17%	0.172	S	C	.	.	H	α-helix	trans	-69.2	-48.4	178.4	-174	177	-178.9	176	0	112.6	L281 A497 M498 A499 M503	L281-K501 HydrophobicContact CD2-CB 3.84Å; A497-K501 WeakPolarHBondContact O-CB 3.26Å; A497-K501 PolarHBondContact O-N 2.89Å; M498-K501 PolarHBondContact O-N 3.44Å; A499-K501 VanDerWaalsContact C-N 3.34Å; A499-K501 PolarHBondContact O-N 3.11Å; K501-M503 VanDerWaalsContact C-N 3.34Å
502	H	92.7	Very high	95.3	Very high	113 Å²	113	43.3 Å²	43.3	52%	0.523	20%	0.204	S	C	.	.	H	α-helix	trans	-69.4	-33.5	-176.6	-77.6	-58.2	0	0	0	112.9	H246 M498 A499	H246-H502 AromaticContact CE1-CD2 3.98Å; M498-H502 WeakPolarHBondContact CE-NE2 3.47Å; M498-H502 VanDerWaalsContact O-CB 3.31Å; M498-H502 WeakPolarHBondContact O-CB 3.38Å; M498-H502 PolarHBondContact O-CD2 3.02Å; M498-H502 PolarHBondContact O-N 2.93Å; A499-H502 PolarHBondContact O-N 2.67Å
503	M	91	Very high	94.8	Very high	32 Å²	32	49.4 Å²	49.4	16%	0.158	23%	0.233	C	C	.	.	H	α-helix	trans	-98.6	0.2	-176.3	-56.7	-65.3	-72.9	0	0	113.3	I243 A499 K501 W505 Q527	I243-M503 HydrophobicContact CG2-CE 4.05Å; I243-M503 HydrophobicContact CG2-CG 4.38Å; I243-M503 HydrophobicContact CG2-SD 4.49Å; A499-M503 WeakPolarHBondContact O-CB 3.37Å; A499-M503 VanDerWaalsContact O-CG 3.28Å; A499-M503 WeakPolarHBondContact O-CG 3.19Å; A499-M503 PolarHBondContact O-N 2.99Å; K501-M503 VanDerWaalsContact C-N 3.34Å; M503-W505 VanDerWaalsContact C-N 3.29Å; M503-W505 VanDerWaalsContact CB-CD1 3.47Å; M503-W505 HydrophobicContact CB-CD2 4.07Å; M503-W505 HydrophobicContact CB-CG 4Å; M503-W505 HydrophobicContact CB-CZ2 4.23Å; M503-W505 HydrophobicContact CE-CZ2 4.48Å; M503-W505 HydrophobicContact CG-CZ2 4.28Å; M503-W505 PolarHBondContact O-N 2.99Å; M503-Q527 HydrophobicContact CE-CB 4.31Å; M503-Q527 HydrophobicContact CE-CG 3.96Å
504	E	91.8	Very high	94.3	Very high	162 Å²	162	51.9 Å²	51.9	76%	0.757	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	45.6	-177.3	-58.4	179	176.3	0	0	112.4	A500	A500-E504 WeakPolarHBondContact O-CA 3.48Å; A500-E504 PolarHBondContact O-N 3.24Å; A500-E504 VanDerWaalsContact O-N 3.1Å
505	W	95.9	Very high	94.1	Very high	13 Å²	13	52 Å²	52	5%	0.049	25%	0.247	C	C	.	.			trans	-81.9	157.9	178.1	-69.4	-1.1	0	0	0	111.4	L240 I243 L244 A500 M503 P524 L571 Y577 I578	L240-W505 HydrophobicContact CD1-CH2 4.22Å; I243-W505 HydrophobicContact CG2-CH2 4.01Å; I243-W505 HydrophobicContact CG2-CZ2 3.98Å; L244-W505 HydrophobicContact CD2-CH2 3.99Å; L244-W505 HydrophobicContact CD2-CZ3 3.59Å; A500-W505 PolarHBondContact O-N 3.3Å; M503-W505 VanDerWaalsContact C-N 3.29Å; M503-W505 VanDerWaalsContact CB-CD1 3.47Å; M503-W505 HydrophobicContact CB-CD2 4.07Å; M503-W505 HydrophobicContact CB-CG 4Å; M503-W505 HydrophobicContact CB-CZ2 4.23Å; M503-W505 HydrophobicContact CE-CZ2 4.48Å; M503-W505 HydrophobicContact CG-CZ2 4.28Å; M503-W505 PolarHBondContact O-N 2.99Å; W505-P524 HydrophobicContact CH2-CB 4.46Å; W505-P524 HydrophobicContact CZ2-CB 3.67Å; W505-P524 HydrophobicContact CZ2-CG 4.4Å; W505-L571 HydrophobicContact CH2-CD1 4.3Å; W505-L571 HydrophobicContact CZ3-CD1 4.21Å; W505-L571 HydrophobicContact CZ3-CD2 4.25Å; W505-Y577 WeakPolarHBondContact O-CD1 3.24Å; W505-I578 WeakPolarHBondContact CA-O 3.43Å; W505-I578 VanDerWaalsContact CB-O 3.24Å; W505-I578 WeakPolarHBondContact CB-O 3.29Å
506	T	97.5	Very high	94	Very high	48 Å²	48	52 Å²	52	29%	0.294	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-111.2	149.5	-175.3	-54.2	0	0	0	0	111.1	P508 Y577 I578 A580	T506-P508 WeakPolarHBondContact O-CD 3.34Å; T506-Y577 VanDerWaalsContact C-CD1 3.41Å; T506-Y577 WeakPolarHBondContact O-CA 3.49Å; T506-I578 PolarHBondContact N-O 3.44Å; T506-I578 VanDerWaalsContact O-CG1 3.23Å; T506-I578 WeakPolarHBondContact O-CG1 3.3Å; T506-I578 PolarHBondContact O-N 2.9Å; T506-A580 WeakPolarHBondContact CB-O 3.49Å; T506-A580 PolarHBondContact OG1-O 2.8Å
507	R	97.9	Very high	94	Very high	87 Å²	87	54.8 Å²	54.8	33%	0.328	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-67.5	120.7	172.5	-169.1	171.9	179.5	-102.9	1.9	109.9	L274 D275 E278 Y577	L274-R507 HydrophobicContact CB-CG 4.46Å; D275-R507 IonicContact OD1-CZ 2.72Å; D275-R507 IonicContact OD1-NH2 3.85Å; D275-R507 PolarHBondContact OD1-NH2 3.1Å; E278-R507 WeakPolarHBondContact OE2-CD 3.45Å; E278-R507 IonicContact OE2-CZ 3.47Å; E278-R507 IonicContact OE2-NE 3.28Å; E278-R507 PolarHBondContact OE2-NE 3.48Å; E278-R507 VanDerWaalsContact OE2-NE 3.08Å; E278-R507 IonicContact OE2-NH1 3.8Å; E278-R507 IonicContact OE2-NH2 2.81Å; R507-Y577 HydrophobicContact CB-CD1 4.26Å; R507-Y577 HydrophobicContact CB-CE1 3.74Å; R507-Y577 HydrophobicContact CB-CE2 4.01Å; R507-Y577 HydrophobicContact CG-CE2 4.04Å; R507-Y577 VanDerWaalsContact N-CD1 3.33Å
508	P	97.6	Very high	94	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.019	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-71	150.9	171.7	29.5	-32.4	0	0	0	110.8	L274 T506 T572 I578	L274-P508 HydrophobicContact CD1-CG 3.97Å; L274-P508 HydrophobicContact CD2-CG 4.16Å; T506-P508 WeakPolarHBondContact O-CD 3.34Å; P508-T572 HydrophobicContact CB-CG2 4.06Å; P508-T572 HydrophobicContact CG-CG2 3.9Å; P508-I578 HydrophobicContact CB-CD1 3.89Å; P508-I578 HydrophobicContact CB-CG1 4.13Å; P508-I578 HydrophobicContact CB-CG2 4.37Å; P508-I578 HydrophobicContact CG-CG1 4.42Å; P508-I578 HydrophobicContact CG-CG2 4.12Å
509	K	96.6	Very high	94.1	Very high	136 Å²	136	58.5 Å²	58.5	59%	0.591	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.6	169.6	-173.1	175.1	-178.8	173.2	0	109.7	V511 A583 K584 I585	K509-V511 HydrophobicContact CD-CG1 4.48Å; K509-V511 HydrophobicContact CG-CG1 4.2Å; K509-A583 WeakPolarHBondContact CB-O 3.46Å; K509-A583 PolarHBondContact N-O 3.2Å; K509-K584 CarbonylContact O-C 3.57Å; K509-K584 VanDerWaalsContact O-CA 3.28Å; K509-K584 WeakPolarHBondContact O-CA 3.49Å; K509-I585 PolarHBondContact O-N 3.4Å
510	I	95.4	Very high	94.2	Very high	18 Å²	18	62 Å²	62	9%	0.092	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	141.4	175.2	-48.6	165.7	0	0	0	108.4	E267 I270 L274 T572 I585 T587	E267-I510 HydrophobicContact CB-CG2 4.09Å; E267-I510 HydrophobicContact CG-CB 4.24Å; E267-I510 HydrophobicContact CG-CG2 3.65Å; I270-I510 HydrophobicContact CB-CD1 3.58Å; I270-I510 HydrophobicContact CG2-CD1 3.26Å; I270-I510 HydrophobicContact CG2-CG1 4.37Å; L274-I510 HydrophobicContact CD1-CD1 3.86Å; L274-I510 HydrophobicContact CD1-CG1 4.33Å; I510-T572 HydrophobicContact CG1-CG2 4.22Å; I510-I585 WeakPolarHBondContact CA-O 3.5Å; I510-T587 HydrophobicContact CG2-CG2 4.26Å
511	V	92.7	Very high	94.2	Very high	17 Å²	17	61.9 Å²	61.9	10%	0.103	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148.4	-178.2	-69.3	0	0	0	0	111.9	K509 E513 K584 I585 S586	K509-V511 HydrophobicContact CD-CG1 4.48Å; K509-V511 HydrophobicContact CG-CG1 4.2Å; V511-E513 VanDerWaalsContact C-N 3.31Å; V511-K584 HydrophobicContact CB-CG 4.28Å; V511-K584 HydrophobicContact CG1-CD 3.96Å; V511-K584 HydrophobicContact CG1-CG 3.72Å; V511-K584 HydrophobicContact CG2-CD 4.16Å; V511-K584 HydrophobicContact CG2-CG 3.55Å; V511-I585 PolarHBondContact N-O 3.35Å; V511-S586 VanDerWaalsContact O-CA 3.27Å; V511-S586 WeakPolarHBondContact O-CA 3.17Å
512	D	86.5	Confident	94.2	Very high	127 Å²	127	56.9 Å²	56.9	68%	0.679	27%	0.265	S	S	*	.	S	Bend	trans	-69.1	-30.6	172.7	-75.7	-48.3	0	0	0	113	N514	D512-N514 PolarHBondContact O-N 2.99Å
513	E	86.7	Confident	94.2	Very high	128 Å²	128	52 Å²	52	60%	0.598	24%	0.242	S	C	*	.	S	Bend	trans	-63.6	121.4	177.5	-68.9	172.3	-170.6	0	0	110.4	V511 C515 K584 S586	V511-E513 VanDerWaalsContact C-N 3.31Å; E513-C515 PolarHBondContact O-N 2.86Å; E513-K584 IonicContact OE2-NZ 3.21Å; E513-K584 PolarHBondContact OE2-NZ 2.81Å; E513-S586 WeakPolarHBondContact O-CB 3.18Å
514	N	87	Confident	94.3	Very high	51 Å²	51	50.5 Å²	50.5	27%	0.273	24%	0.235	S	C	.	.			trans	-54	104.2	172.7	-77.3	-21.1	0	0	0	110	D512 G542 Y661	D512-N514 PolarHBondContact O-N 2.99Å; N514-G542 WeakPolarHBondContact O-CA 3.29Å; N514-G542 PolarHBondContact O-N 3.49Å; N514-Y661 WeakPolarHBondContact CA-OH 3.36Å; N514-Y661 WeakPolarHBondContact CB-OH 3.44Å; N514-Y661 PolarHBondContact O-OH 2.78Å
515	C	92.4	Very high	94	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	156.6	172.4	68.9	0	0	0	0	113.1	E513 S540 K584 S586 Y661	E513-C515 PolarHBondContact O-N 2.86Å; C515-S540 CarbonylContact C-O 3.31Å; C515-S540 VanDerWaalsContact CA-O 3.27Å; C515-S540 WeakPolarHBondContact CA-O 3.46Å; C515-S540 WeakPolarHBondContact CB-O 3.26Å; C515-K584 VanDerWaalsContact SG-CE 3.58Å; C515-S586 PolarHBondContact N-OG 3.12Å; C515-S586 PolarHBondContact O-N 2.8Å; C515-S586 PolarHBondContact O-OG 2.86Å; C515-Y661 WeakPolarHBondContact CA-OH 3.41Å; C515-Y661 PolarHBondContact N-OH 2.77Å; C515-Y661 VanDerWaalsContact N-OH 3.09Å
516	I	95.6	Very high	93.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	100.6	166.7	-51.3	176	0	0	0	107.9	I518 F538 Y539 S540 I565 F588 L627 Y661	I516-I518 HydrophobicContact CG2-CD1 4.07Å; I516-I518 HydrophobicContact CG2-CG1 4.19Å; I516-F538 HydrophobicContact CB-CD1 4.24Å; I516-F538 HydrophobicContact CB-CE1 3.94Å; I516-F538 HydrophobicContact CD1-CE1 4.34Å; I516-F538 HydrophobicContact CG2-CD1 3.76Å; I516-F538 HydrophobicContact CG2-CE1 3.85Å; I516-Y539 WeakPolarHBondContact O-CA 3.36Å; I516-S540 PolarHBondContact N-O 2.83Å; I516-S540 PolarHBondContact O-N 3.06Å; I516-I565 HydrophobicContact CG2-CG2 4.3Å; I516-F588 HydrophobicContact CD1-CE1 3.93Å; I516-F588 HydrophobicContact CD1-CE2 4.18Å; I516-F588 HydrophobicContact CD1-CZ 3.42Å; I516-F588 VanDerWaalsContact CD1-CZ 3.42Å; I516-F588 HydrophobicContact CG1-CE1 4.35Å; I516-F588 HydrophobicContact CG1-CE2 3.84Å; I516-F588 HydrophobicContact CG1-CZ 3.36Å; I516-L627 HydrophobicContact CD1-CD1 4.04Å; I516-Y661 HydrophobicContact CD1-CD1 3.99Å; I516-Y661 HydrophobicContact CD1-CG 3.93Å; I516-Y661 HydrophobicContact CG1-CD1 4.23Å; I516-Y661 HydrophobicContact CG1-CE1 4.38Å; I516-Y661 HydrophobicContact CG1-CG 4.44Å
517	H	96.6	Very high	92.6	Very high	57 Å²	57	45.8 Å²	45.8	26%	0.264	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.5	173.3	-63	-175	0	0	0	108.7	F538 Y539 A583 K584	H517-F538 CarbonylContact C-O 3.54Å; H517-F538 WeakPolarHBondContact CA-O 3.42Å; H517-Y539 HydrophobicContact CB-CD1 4.04Å; H517-Y539 HydrophobicContact CB-CE1 4.42Å; H517-Y539 AromaticContact CG-CD1 3.98Å; H517-A583 CarbonylContact O-C 3.53Å; H517-A583 WeakPolarHBondContact O-CA 3.45Å; H517-A583 VanDerWaalsContact O-CB 3.28Å; H517-A583 WeakPolarHBondContact O-CB 3.48Å; H517-K584 HydrophobicContact CB-CB 4.14Å; H517-K584 PolarHBondContact N-O 2.92Å; H517-K584 PolarHBondContact O-N 3.15Å
518	I	97.7	Very high	91.6	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.3	176	-61.6	170.5	0	0	0	106.7	I516 S537 F538 I565 I568 A580 A583 I585	I516-I518 HydrophobicContact CG2-CD1 4.07Å; I516-I518 HydrophobicContact CG2-CG1 4.19Å; I518-S537 CarbonylContact O-C 3.57Å; I518-S537 WeakPolarHBondContact O-CA 3.47Å; I518-S537 WeakPolarHBondContact O-CB 3.24Å; I518-F538 HydrophobicContact CB-CB 4.38Å; I518-F538 PolarHBondContact N-O 2.84Å; I518-F538 PolarHBondContact O-N 3.47Å; I518-I565 HydrophobicContact CD1-CB 4.25Å; I518-I565 HydrophobicContact CD1-CG1 4.22Å; I518-I565 HydrophobicContact CD1-CG2 4.08Å; I518-I568 HydrophobicContact CD1-CB 4.03Å; I518-I568 HydrophobicContact CD1-CD1 4.18Å; I518-I568 HydrophobicContact CD1-CG2 3.89Å; I518-I568 HydrophobicContact CG1-CG2 4.07Å; I518-I568 HydrophobicContact CG2-CD1 3.68Å; I518-A580 HydrophobicContact CG2-CB 4.24Å; I518-A583 HydrophobicContact CG1-CB 4.45Å; I518-I585 HydrophobicContact CG1-CD1 4.45Å
519	Y	97.9	Very high	90.6	Very high	105 Å²	105	50.7 Å²	50.7	41%	0.412	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.1	176	-178.4	-114.6	0	0	0	109.6	G521 Y539 E581 G582	Y519-G521 VanDerWaalsContact C-N 3.34Å; Y519-G521 PolarHBondContact O-N 2.87Å; Y519-Y539 WeakPolarHBondContact CD2-OH 3.31Å; Y519-E581 HydrophobicContact CD1-CB 3.64Å; Y519-E581 HydrophobicContact CE1-CB 3.97Å; Y519-E581 WeakPolarHBondContact CE1-OE2 3.44Å; Y519-E581 PolarHBondContact O-N 3.22Å; Y519-E581 VanDerWaalsContact O-N 3.13Å; Y519-G582 WeakPolarHBondContact CB-O 3.12Å; Y519-G582 PolarHBondContact N-O 3.21Å; Y519-G582 PolarHBondContact O-N 2.62Å
520	K	97	Very high	89.7	Confident	74 Å²	74	46.4 Å²	46.4	32%	0.322	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	45.8	56	178.7	-70.9	174.2	175.7	177.2	0	112.5	W522 K535 N536 S537 E581	K520-W522 VanDerWaalsContact O-CE3 3.32Å; K520-K535 HydrophobicContact CB-CB 3.8Å; K520-K535 HydrophobicContact CB-CD 4.07Å; K520-K535 HydrophobicContact CG-CB 4.33Å; K520-N536 CarbonylContact C-O 3.58Å; K520-N536 WeakPolarHBondContact CA-O 3.44Å; K520-S537 PolarHBondContact N-OG 2.97Å; K520-E581 HydrophobicContact CB-CB 4.25Å; K520-E581 HydrophobicContact CB-CG 4.15Å; K520-E581 HydrophobicContact CD-CG 4.38Å; K520-E581 WeakPolarHBondContact CD-OE1 3.5Å; K520-E581 WeakPolarHBondContact CD-OE2 3.24Å; K520-E581 IonicContact NZ-OE1 3.65Å; K520-E581 IonicContact NZ-OE2 2.93Å; K520-E581 PolarHBondContact NZ-OE2 2.66Å; K520-E581 PolarHBondContact O-N 3.14Å
521	G	97.2	Very high	88.7	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	156.3	171.9	0	0	0	0	0	112.4	Y519 K535 N536 P579	Y519-G521 VanDerWaalsContact C-N 3.34Å; Y519-G521 PolarHBondContact O-N 2.87Å; G521-K535 WeakPolarHBondContact O-CA 3.3Å; G521-N536 PolarHBondContact N-O 3.04Å; G521-N536 PolarHBondContact O-N 2.94Å; G521-P579 CarbonylContact C-O 3.53Å; G521-P579 VanDerWaalsContact CA-O 3.27Å; G521-P579 WeakPolarHBondContact CA-O 3.34Å
522	W	95	Very high	88.2	Confident	18 Å²	18	57.5 Å²	57.5	7%	0.068	30%	0.301	C	S	.	.			trans	-141.3	162.4	175	62.9	95.4	0	0	0	112.6	K520 P524 I533 K535 P579 A580	K520-W522 VanDerWaalsContact O-CE3 3.32Å; W522-P524 WeakPolarHBondContact O-CD 3.48Å; W522-I533 HydrophobicContact CB-CG2 3.37Å; W522-I533 HydrophobicContact CG-CG2 3.78Å; W522-K535 HydrophobicContact CE3-CD 3.81Å; W522-K535 HydrophobicContact CE3-CG 3.9Å; W522-K535 HydrophobicContact CZ3-CD 3.99Å; W522-P579 HydrophobicContact CD2-CB 4Å; W522-P579 HydrophobicContact CG-CB 4.23Å; W522-P579 HydrophobicContact CZ2-CB 4Å; W522-P579 PolarHBondContact N-O 3.43Å; W522-P579 WeakPolarHBondContact O-CG 3.47Å; W522-A580 VanDerWaalsContact CZ3-CA 3.46Å
523	Y	93	Very high	88.1	Confident	11 Å²	11	53.4 Å²	53.4	4%	0.043	28%	0.278	C	S	.	.			trans	-81.6	113.9	177.2	-169.3	-127.8	0	0	0	110.2	L214 Q215 I525 Q526 I560 K563 T564 L567	L214-Y523 PolarHBondContact O-OH 3.33Å; Q215-Y523 PolarHBondContact OE1-OH 3.17Å; Y523-I525 VanDerWaalsContact C-N 3.3Å; Y523-I525 HydrophobicContact CD1-CB 4.1Å; Y523-I525 HydrophobicContact CE1-CB 3.6Å; Y523-I525 HydrophobicContact CE1-CD1 4.32Å; Y523-I525 HydrophobicContact CE1-CG1 4.49Å; Y523-I525 HydrophobicContact CE1-CG2 4.07Å; Y523-I525 HydrophobicContact CE2-CD1 4.39Å; Y523-I525 PolarHBondContact O-N 2.86Å; Y523-I525 VanDerWaalsContact OH-CD1 3.26Å; Y523-I525 WeakPolarHBondContact OH-CD1 3.27Å; Y523-Q526 HydrophobicContact CD1-CB 4.15Å; Y523-Q526 WeakPolarHBondContact O-CB 3.27Å; Y523-Q526 PolarHBondContact O-N 2.84Å; Y523-Q526 VanDerWaalsContact O-N 3.1Å; Y523-I560 HydrophobicContact CD1-CG2 4.33Å; Y523-I560 HydrophobicContact CG-CG2 4.22Å; Y523-K563 HydrophobicContact CD2-CB 4.01Å; Y523-K563 HydrophobicContact CE1-CD 4.41Å; Y523-K563 HydrophobicContact CE2-CB 3.82Å; Y523-K563 HydrophobicContact CE2-CD 4.26Å; Y523-T564 PolarHBondContact N-OG1 2.75Å; Y523-L567 HydrophobicContact CD2-CD2 4.09Å; Y523-L567 HydrophobicContact CE2-CD2 3.91Å
524	P	91.4	Very high	88.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.9	-27.7	-170.4	27	-34.3	0	0	0	112.8	L240 I243 W505 W522 Q526 Q527 L567 P579	L240-P524 HydrophobicContact CD1-CG 4.21Å; I243-P524 HydrophobicContact CD1-CB 4.29Å; W505-P524 HydrophobicContact CH2-CB 4.46Å; W505-P524 HydrophobicContact CZ2-CB 3.67Å; W505-P524 HydrophobicContact CZ2-CG 4.4Å; W522-P524 WeakPolarHBondContact O-CD 3.48Å; P524-Q526 VanDerWaalsContact C-N 3.28Å; P524-Q526 PolarHBondContact O-N 2.88Å; P524-Q527 VanDerWaalsContact O-CB 3.23Å; P524-Q527 WeakPolarHBondContact O-CB 3.4Å; P524-Q527 PolarHBondContact O-N 2.8Å; P524-L567 HydrophobicContact CG-CD2 3.27Å; P524-P579 HydrophobicContact CB-CB 4.25Å; P524-P579 HydrophobicContact CB-CG 4.19Å; P524-P579 HydrophobicContact CG-CG 4.01Å
525	I	87.3	Confident	88.6	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-67.4	-33	175.7	-71.2	161.9	0	0	0	111	Q215 P238 I243 Y523 Q527 T528	Q215-I525 HydrophobicContact CB-CD1 3.58Å; P238-I525 HydrophobicContact CB-CG2 3.94Å; P238-I525 HydrophobicContact CG-CG2 3.63Å; I243-I525 HydrophobicContact CD1-CB 4.4Å; I243-I525 HydrophobicContact CD1-CG1 3.67Å; Y523-I525 VanDerWaalsContact C-N 3.3Å; Y523-I525 HydrophobicContact CD1-CB 4.1Å; Y523-I525 HydrophobicContact CE1-CB 3.6Å; Y523-I525 HydrophobicContact CE1-CD1 4.32Å; Y523-I525 HydrophobicContact CE1-CG1 4.49Å; Y523-I525 HydrophobicContact CE1-CG2 4.07Å; Y523-I525 HydrophobicContact CE2-CD1 4.39Å; Y523-I525 PolarHBondContact O-N 2.86Å; Y523-I525 VanDerWaalsContact OH-CD1 3.26Å; Y523-I525 WeakPolarHBondContact OH-CD1 3.27Å; I525-Q527 PolarHBondContact O-N 2.79Å; I525-T528 PolarHBondContact O-N 2.84Å; I525-T528 VanDerWaalsContact O-N 3.13Å; I525-T528 PolarHBondContact O-OG1 2.86Å
526	Q	83.5	Confident	88.8	Confident	54 Å²	54	53.3 Å²	53.3	25%	0.252	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-31.6	174.9	-174.4	175.6	-7.1	0	0	112.1	Y523 P524 T528 V529 S530	Y523-Q526 HydrophobicContact CD1-CB 4.15Å; Y523-Q526 WeakPolarHBondContact O-CB 3.27Å; Y523-Q526 PolarHBondContact O-N 2.84Å; Y523-Q526 VanDerWaalsContact O-N 3.1Å; P524-Q526 VanDerWaalsContact C-N 3.28Å; P524-Q526 PolarHBondContact O-N 2.88Å; Q526-T528 PolarHBondContact O-N 2.76Å; Q526-V529 PolarHBondContact O-N 2.82Å; Q526-S530 PolarHBondContact O-N 2.88Å
527	Q	80.1	Confident	88.9	Confident	61 Å²	61	55 Å²	55	29%	0.285	29%	0.289	S	S	.	.	H	α-helix	trans	-60.4	-23.9	175.3	-172.7	170.5	-6	0	0	113	M503 P524 I525 V529 I533	M503-Q527 HydrophobicContact CE-CB 4.31Å; M503-Q527 HydrophobicContact CE-CG 3.96Å; P524-Q527 VanDerWaalsContact O-CB 3.23Å; P524-Q527 WeakPolarHBondContact O-CB 3.4Å; P524-Q527 PolarHBondContact O-N 2.8Å; I525-Q527 PolarHBondContact O-N 2.79Å; Q527-V529 VanDerWaalsContact C-N 3.32Å; Q527-I533 HydrophobicContact CB-CD1 3.47Å; Q527-I533 VanDerWaalsContact CB-CD1 3.47Å; Q527-I533 HydrophobicContact CG-CD1 3.59Å
528	T	76.4	Confident	88.9	Confident	75 Å²	75	52.6 Å²	52.6	46%	0.46	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.7	177.2	69.4	0	0	0	0	113.6	I243 I525 Q526	I243-T528 HydrophobicContact CD1-CG2 3.9Å; I243-T528 HydrophobicContact CG1-CG2 4.04Å; I525-T528 PolarHBondContact O-N 2.84Å; I525-T528 VanDerWaalsContact O-N 3.13Å; I525-T528 PolarHBondContact O-OG1 2.86Å; Q526-T528 PolarHBondContact O-N 2.76Å
529	V	77.3	Confident	88.7	Confident	119 Å²	119	57.3 Å²	57.3	72%	0.721	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-32	-173.1	-173.7	0	0	0	0	112.1	Q526 Q527	Q526-V529 PolarHBondContact O-N 2.82Å; Q527-V529 VanDerWaalsContact C-N 3.32Å
530	S	77	Confident	88.5	Confident	45 Å²	45	52.3 Å²	52.3	32%	0.315	28%	0.276	S	S	.	.			trans	-131.3	139	-176.1	179	0	0	0	0	111.2	Q526 N532	Q526-S530 PolarHBondContact O-N 2.88Å; S530-N532 PolarHBondContact OG-N 2.78Å; S530-N532 PolarHBondContact OG-O 2.76Å; S530-N532 VanDerWaalsContact OG-O 3.09Å
531	T	75.4	Confident	87.9	Confident	137 Å²	137	51.1 Å²	51.1	84%	0.84	27%	0.273	S	S	*	.	S	Bend	trans	-79.4	-30.5	171.9	53.5	0	0	0	0	112.3	I533	T531-I533 PolarHBondContact O-N 2.98Å
532	N	82	Confident	86.6	Confident	131 Å²	131	53 Å²	53	70%	0.701	29%	0.292	S	S	*	.			trans	-85.8	103.1	176.5	-76.8	-11.7	0	0	0	109.7	S530	S530-N532 PolarHBondContact OG-N 2.78Å; S530-N532 PolarHBondContact OG-O 2.76Å; S530-N532 VanDerWaalsContact OG-O 3.09Å
533	I	84	Confident	85.6	Confident	42 Å²	42	56 Å²	56	22%	0.215	32%	0.317	C	S	.	.			trans	-115.5	124.1	180	-56.3	170	0	0	0	108.8	W522 Q527 T531	W522-I533 HydrophobicContact CB-CG2 3.37Å; W522-I533 HydrophobicContact CG-CG2 3.78Å; Q527-I533 HydrophobicContact CB-CD1 3.47Å; Q527-I533 VanDerWaalsContact CB-CD1 3.47Å; Q527-I533 HydrophobicContact CG-CD1 3.59Å; T531-I533 PolarHBondContact O-N 2.98Å
534	I	89.6	Confident	85.1	Confident	72 Å²	72	60.5 Å²	60.5	37%	0.369	34%	0.336	S	S	.	.			trans	-92.8	111.4	178.5	-66.9	152.4	0	0	0	107.9	N536 L699 Y700	I534-N536 PolarHBondContact O-ND2 3.03Å; I534-L699 WeakPolarHBondContact CD1-O 3.39Å; I534-Y700 HydrophobicContact CD1-CD2 3.58Å; I534-Y700 HydrophobicContact CD1-CG 4.03Å; I534-Y700 WeakPolarHBondContact CG2-O 3.45Å
535	K	94.8	Very high	84.9	Confident	90 Å²	90	63.2 Å²	63.2	39%	0.391	35%	0.349	S	S	.	.			trans	-80.7	132.8	179.8	-56.1	-173.6	-173.2	-176.6	0	109.7	K520 G521 W522 E581	K520-K535 HydrophobicContact CB-CB 3.8Å; K520-K535 HydrophobicContact CB-CD 4.07Å; K520-K535 HydrophobicContact CG-CB 4.33Å; G521-K535 WeakPolarHBondContact O-CA 3.3Å; W522-K535 HydrophobicContact CE3-CD 3.81Å; W522-K535 HydrophobicContact CE3-CG 3.9Å; W522-K535 HydrophobicContact CZ3-CD 3.99Å; K535-E581 IonicContact NZ-OE1 3.86Å; K535-E581 PolarHBondContact NZ-OE1 2.86Å
536	N	96.4	Very high	85.1	Confident	18 Å²	18	63.3 Å²	63.3	10%	0.096	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.9	-178.7	-76.6	-76.3	0	0	0	111.3	K520 G521 I534 Y561 Y700 E701 A702	K520-N536 CarbonylContact C-O 3.58Å; K520-N536 WeakPolarHBondContact CA-O 3.44Å; G521-N536 PolarHBondContact N-O 3.04Å; G521-N536 PolarHBondContact O-N 2.94Å; I534-N536 PolarHBondContact O-ND2 3.03Å; N536-Y561 HydrophobicContact CB-CD2 3.7Å; N536-Y561 HydrophobicContact CB-CE2 3.68Å; N536-Y700 PolarHBondContact ND2-O 3.04Å; N536-E701 VanDerWaalsContact OD1-CA 3.28Å; N536-E701 WeakPolarHBondContact OD1-CA 3.19Å; N536-A702 PolarHBondContact OD1-N 3.39Å
537	S	97	Very high	85.5	Confident	37 Å²	37	60.7 Å²	60.7	26%	0.259	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	150.4	173.4	-59.8	0	0	0	0	111	I518 K520 Y561	I518-S537 CarbonylContact O-C 3.57Å; I518-S537 WeakPolarHBondContact O-CA 3.47Å; I518-S537 WeakPolarHBondContact O-CB 3.24Å; K520-S537 PolarHBondContact N-OG 2.97Å; S537-Y561 PolarHBondContact O-OH 2.8Å
538	F	96.7	Very high	86.2	Confident	6 Å²	6	57.9 Å²	57.9	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	136.5	175.4	176.6	-111.2	0	0	0	109.7	I516 H517 I518 T548 Y561 I565 I663 L685	I516-F538 HydrophobicContact CB-CD1 4.24Å; I516-F538 HydrophobicContact CB-CE1 3.94Å; I516-F538 HydrophobicContact CD1-CE1 4.34Å; I516-F538 HydrophobicContact CG2-CD1 3.76Å; I516-F538 HydrophobicContact CG2-CE1 3.85Å; H517-F538 CarbonylContact C-O 3.54Å; H517-F538 WeakPolarHBondContact CA-O 3.42Å; I518-F538 HydrophobicContact CB-CB 4.38Å; I518-F538 PolarHBondContact N-O 2.84Å; I518-F538 PolarHBondContact O-N 3.47Å; F538-T548 HydrophobicContact CE2-CG2 4.16Å; F538-Y561 WeakPolarHBondContact CD2-OH 3.34Å; F538-I565 HydrophobicContact CB-CD1 3.88Å; F538-I565 HydrophobicContact CB-CG1 3.94Å; F538-I565 HydrophobicContact CD1-CD1 3.84Å; F538-I565 HydrophobicContact CD1-CG1 3.97Å; F538-I565 HydrophobicContact CD1-CG2 3.74Å; F538-I565 HydrophobicContact CD2-CD1 3.62Å; F538-I565 HydrophobicContact CE1-CD1 4.26Å; F538-I565 HydrophobicContact CE1-CG2 3.85Å; F538-I565 HydrophobicContact CE2-CD1 4.06Å; F538-I565 HydrophobicContact CG-CD1 3.48Å; F538-I565 VanDerWaalsContact CG-CD1 3.48Å; F538-I565 HydrophobicContact CG-CG1 3.88Å; F538-I565 HydrophobicContact CG-CG2 4.48Å; F538-I565 HydrophobicContact CZ-CD1 4.36Å; F538-I663 HydrophobicContact CE1-CD1 4.33Å; F538-I663 HydrophobicContact CE2-CD1 4.36Å; F538-I663 HydrophobicContact CZ-CD1 3.94Å; F538-I663 HydrophobicContact CZ-CG1 4.16Å; F538-L685 HydrophobicContact CD2-CD1 4.41Å
539	Y	94.9	Very high	86.9	Confident	100 Å²	100	54.3 Å²	54.3	39%	0.392	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	116.8	-177.2	-57.6	-81.5	0	0	0	110.1	I516 H517 Y519 Q683	I516-Y539 WeakPolarHBondContact O-CA 3.36Å; H517-Y539 HydrophobicContact CB-CD1 4.04Å; H517-Y539 HydrophobicContact CB-CE1 4.42Å; H517-Y539 AromaticContact CG-CD1 3.98Å; Y519-Y539 WeakPolarHBondContact CD2-OH 3.31Å; Y539-Q683 PolarHBondContact O-OE1 3.44Å; Y539-Q683 VanDerWaalsContact O-OE1 3.11Å
540	S	92.7	Very high	87.6	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.007	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122.3	172.8	-177.7	0	0	0	0	109.3	C515 I516 H545 Y661	C515-S540 CarbonylContact C-O 3.31Å; C515-S540 VanDerWaalsContact CA-O 3.27Å; C515-S540 WeakPolarHBondContact CA-O 3.46Å; C515-S540 WeakPolarHBondContact CB-O 3.26Å; I516-S540 PolarHBondContact N-O 2.83Å; I516-S540 PolarHBondContact O-N 3.06Å; S540-H545 PolarHBondContact OG-O 2.98Å; S540-Y661 WeakPolarHBondContact OG-CD1 3.21Å; S540-Y661 VanDerWaalsContact OG-CE1 3.26Å; S540-Y661 WeakPolarHBondContact OG-CE1 2.95Å
541	D	84.1	Confident	88.2	Confident	48 Å²	48	46.5 Å²	46.5	26%	0.257	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	155.3	-173.5	55.5	-41	0	0	0	112	S543 K544 H545	D541-S543 PolarHBondContact O-N 3.45Å; D541-K544 CarbonylContact C-O 3.59Å; D541-K544 PolarHBondContact N-O 3.32Å; D541-K544 PolarHBondContact O-N 3.39Å; D541-K544 VanDerWaalsContact O-N 3.16Å; D541-K544 VanDerWaalsContact OD1-CB 3.31Å; D541-K544 WeakPolarHBondContact OD1-CB 3.41Å; D541-H545 IonicContact OD1-ND1 3.73Å
542	G	69.9	Low	88.7	Confident	39 Å²	39	40.6 Å²	40.6	40%	0.402	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-23	-166.9	0	0	0	0	0	116.6	N514 K546	N514-G542 WeakPolarHBondContact O-CA 3.29Å; N514-G542 PolarHBondContact O-N 3.49Å; G542-K546 WeakPolarHBondContact O-CE 3.16Å
543	S	74.4	Confident	88.6	Confident	83 Å²	83	34.8 Å²	34.8	58%	0.58	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-16.8	178.9	63.2	0	0	0	0	115	D541	D541-S543 PolarHBondContact O-N 3.45Å
544	K	82.2	Confident	88.3	Confident	104 Å²	104	37 Å²	37	45%	0.452	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-127.1	155.4	-177.5	-51.5	172.7	-179.6	172.6	0	109.9	D541 K546 P680	D541-K544 CarbonylContact C-O 3.59Å; D541-K544 PolarHBondContact N-O 3.32Å; D541-K544 PolarHBondContact O-N 3.39Å; D541-K544 VanDerWaalsContact O-N 3.16Å; D541-K544 VanDerWaalsContact OD1-CB 3.31Å; D541-K544 WeakPolarHBondContact OD1-CB 3.41Å; K544-K546 PolarHBondContact O-N 3.34Å; K544-K546 VanDerWaalsContact O-N 3.09Å; K544-P680 WeakPolarHBondContact CA-O 3.31Å; K544-P680 HydrophobicContact CG-CB 4.38Å
545	H	88.4	Confident	87.8	Confident	57 Å²	57	36.6 Å²	36.6	26%	0.264	21%	0.214	S	C	.	.			trans	57.1	30.1	174.7	-49.6	156.7	0	0	0	115.4	S540 D541 I547 P680 Q681 Q683	S540-H545 PolarHBondContact OG-O 2.98Å; D541-H545 IonicContact OD1-ND1 3.73Å; H545-I547 VanDerWaalsContact C-N 3.28Å; H545-I547 PolarHBondContact O-N 2.78Å; H545-P680 PolarHBondContact CD2-O 3.47Å; H545-P680 PolarHBondContact N-O 3.03Å; H545-Q681 CarbonylContact C-O 3.51Å; H545-Q681 WeakPolarHBondContact CA-O 3.43Å; H545-Q681 PolarHBondContact N-O 3.28Å; H545-Q683 HydrophobicContact CB-CB 3.74Å; H545-Q683 HydrophobicContact CB-CG 4.42Å
546	K	90.2	Very high	87.3	Confident	10 Å²	10	32.3 Å²	32.3	4%	0.043	20%	0.196	C	C	.	.	S	Bend	trans	-62.8	-36.4	175.9	-77.9	-68	-168.6	167.1	0	112.5	G542 K544 C659 Y661 T662 Q681	G542-K546 WeakPolarHBondContact O-CE 3.16Å; K544-K546 PolarHBondContact O-N 3.34Å; K544-K546 VanDerWaalsContact O-N 3.09Å; K546-C659 HydrophobicContact CB-CB 4.22Å; K546-C659 WeakPolarHBondContact CD-O 3.49Å; K546-C659 WeakPolarHBondContact CE-O 3.41Å; K546-C659 HydrophobicContact CG-CB 4.2Å; K546-C659 PolarHBondContact NZ-O 3.22Å; K546-Y661 HydrophobicContact CD-CD1 4.15Å; K546-Y661 HydrophobicContact CD-CE1 3.93Å; K546-Y661 VanDerWaalsContact NZ-CE2 3.32Å; K546-Y661 PolarHBondContact NZ-OH 2.94Å; K546-T662 PolarHBondContact O-N 3.48Å; K546-Q681 PolarHBondContact N-O 2.85Å
547	I	92.6	Very high	86.9	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.7	171.6	-57.9	-157.7	0	0	0	108.9	H545 A650 L653 L654 T662 I664 Q681 V682 Q683	H545-I547 VanDerWaalsContact C-N 3.28Å; H545-I547 PolarHBondContact O-N 2.78Å; I547-A650 HydrophobicContact CD1-CB 4.11Å; I547-A650 WeakPolarHBondContact CD1-O 3.07Å; I547-L653 HydrophobicContact CD1-CB 4.16Å; I547-L654 HydrophobicContact CD1-CD1 3.93Å; I547-L654 HydrophobicContact CD1-CD2 3.92Å; I547-L654 HydrophobicContact CD1-CG 3.51Å; I547-L654 HydrophobicContact CG1-CD2 3.91Å; I547-L654 HydrophobicContact CG1-CG 4.1Å; I547-T662 CarbonylContact C-O 3.58Å; I547-T662 WeakPolarHBondContact CA-O 3.24Å; I547-I664 HydrophobicContact CG2-CD1 4.04Å; I547-I664 HydrophobicContact CG2-CG1 4.48Å; I547-Q681 PolarHBondContact N-O 3.25Å; I547-Q681 VanDerWaalsContact N-O 3.12Å; I547-V682 HydrophobicContact CB-CG2 4.5Å; I547-V682 CarbonylContact O-C 3.54Å; I547-V682 VanDerWaalsContact O-CA 3.28Å; I547-V682 WeakPolarHBondContact O-CA 3.24Å; I547-Q683 PolarHBondContact O-N 3.2Å
548	T	93.6	Very high	86.6	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.8	173.8	-60.5	0	0	0	0	109.7	F538 T662 I663 I664 Q683 L685	F538-T548 HydrophobicContact CE2-CG2 4.16Å; T548-T662 PolarHBondContact N-O 3.18Å; T548-I663 HydrophobicContact CG2-CG2 4.46Å; T548-I663 CarbonylContact O-C 3.47Å; T548-I663 WeakPolarHBondContact O-CA 3.23Å; T548-I664 PolarHBondContact O-N 3.37Å; T548-Q683 CarbonylContact C-O 3.54Å; T548-Q683 WeakPolarHBondContact CA-O 3.41Å; T548-L685 HydrophobicContact CG2-CB 4.38Å; T548-L685 HydrophobicContact CG2-CD1 3.61Å; T548-L685 HydrophobicContact CG2-CG 3.88Å
549	L	92.3	Very high	86.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114	172.1	-70.6	159.7	0	0	0	109	I664 I671 L672 L675 V682 Q683 Y684 L685	L549-I664 HydrophobicContact CD2-CB 3.93Å; L549-I664 HydrophobicContact CD2-CD1 4.31Å; L549-I664 HydrophobicContact CD2-CG2 4.16Å; L549-I671 HydrophobicContact CD2-CG2 4.15Å; L549-L672 HydrophobicContact CB-CD2 3.82Å; L549-L672 HydrophobicContact CD1-CD2 4.01Å; L549-L672 HydrophobicContact CD2-CD2 4.36Å; L549-L672 HydrophobicContact CG-CD2 4.28Å; L549-L675 HydrophobicContact CD1-CB 3.95Å; L549-L675 HydrophobicContact CD1-CD1 3.71Å; L549-L675 HydrophobicContact CD1-CG 4.47Å; L549-L675 HydrophobicContact CD2-CD1 3.93Å; L549-L675 HydrophobicContact CG-CD1 4.31Å; L549-V682 HydrophobicContact CD1-CG1 3.54Å; L549-V682 HydrophobicContact CG-CG1 4.23Å; L549-Q683 PolarHBondContact N-O 3.11Å; L549-Y684 HydrophobicContact CB-CD1 4.05Å; L549-Y684 HydrophobicContact CB-CE1 4.39Å; L549-Y684 HydrophobicContact CD1-CD1 3.89Å; L549-Y684 HydrophobicContact CD1-CE1 3.36Å; L549-Y684 HydrophobicContact CG-CE1 4.49Å; L549-L685 PolarHBondContact O-N 3.11Å
550	L	92.3	Very high	86.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122	179.5	179.8	68.9	0	0	0	110.7	K558 Y561 M562 I664 A665 T666 L685 M687	L550-K558 HydrophobicContact CD2-CB 3.83Å; L550-K558 HydrophobicContact CD2-CG 4.13Å; L550-K558 HydrophobicContact CG-CB 4.46Å; L550-K558 HydrophobicContact CG-CD 4.43Å; L550-K558 HydrophobicContact CG-CG 4.25Å; L550-Y561 HydrophobicContact CD1-CD1 4.14Å; L550-Y561 HydrophobicContact CD1-CE1 4.27Å; L550-Y561 HydrophobicContact CD2-CD1 3.7Å; L550-Y561 HydrophobicContact CD2-CE1 4.41Å; L550-M562 HydrophobicContact CD2-CG 3.92Å; L550-M562 HydrophobicContact CD2-SD 4.33Å; L550-I664 PolarHBondContact N-O 3.26Å; L550-A665 HydrophobicContact CD2-CB 4.46Å; L550-A665 WeakPolarHBondContact O-CA 3.38Å; L550-T666 PolarHBondContact O-N 3.32Å; L550-L685 WeakPolarHBondContact CA-O 3.36Å; L550-L685 HydrophobicContact CD1-CB 3.87Å; L550-M687 HydrophobicContact CD1-CG 4.5Å; L550-M687 HydrophobicContact CD1-SD 3.98Å
551	T	89.3	Confident	86.2	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	161.1	-179.3	61.2	0	0	0	0	112	L672 L685 T686 M687 N707	T551-L672 HydrophobicContact CG2-CD1 3.65Å; T551-L672 HydrophobicContact CG2-CD2 3.73Å; T551-L672 HydrophobicContact CG2-CG 4.27Å; T551-L685 PolarHBondContact N-O 2.76Å; T551-L685 PolarHBondContact OG1-O 2.96Å; T551-T686 CarbonylContact O-C 3.59Å; T551-T686 WeakPolarHBondContact O-CA 3.37Å; T551-T686 PolarHBondContact O-OG1 2.89Å; T551-T686 WeakPolarHBondContact OG1-CB 3.02Å; T551-T686 PolarHBondContact OG1-OG1 2.94Å; T551-M687 PolarHBondContact O-N 3.38Å; T551-N707 PolarHBondContact OG1-N 2.9Å
552	G	85.3	Confident	86.8	Confident	12 Å²	12	28.8 Å²	28.8	12%	0.124	19%	0.185	C	C	.	.			trans	149.5	167.7	174.1	0	0	0	0	0	112.6	K558	G552-K558 PolarHBondContact O-NZ 3.43Å
553	P	80.8	Confident	87.9	Confident	9 Å²	9	28.6 Å²	28.6	6%	0.058	17%	0.173	C	C	.	.			trans	-58.6	161.2	-179.6	-23.1	33.6	0	0	0	113.3	S556 K558 T689 E711	P553-S556 VanDerWaalsContact O-CB 3.28Å; P553-S556 WeakPolarHBondContact O-CB 3.45Å; P553-S556 PolarHBondContact O-N 2.59Å; P553-S556 PolarHBondContact O-OG 3.34Å; P553-K558 PolarHBondContact O-NZ 3Å; P553-T689 HydrophobicContact CG-CG2 3.75Å; P553-E711 HydrophobicContact CB-CB 4.3Å; P553-E711 HydrophobicContact CG-CB 4.03Å; P553-E711 HydrophobicContact CG-CG 4.27Å
554	N	77.8	Confident	88.9	Confident	89 Å²	89	25.1 Å²	25.1	48%	0.476	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	143.7	171	-71.3	-3.6	0	0	0	109.7	S556	N554-S556 PolarHBondContact O-N 3.2Å
555	G	78.6	Confident	89.6	Confident	63 Å²	63	20.2 Å²	20.2	65%	0.649	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	-0.9	-174	0	0	0	0	0	115.3	G557 Y700	G555-G557 PolarHBondContact O-N 3.32Å; G555-Y700 WeakPolarHBondContact O-CE1 3.39Å
556	S	84.5	Confident	90	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.007	12%	0.115	C	C	.	.	S	Bend	trans	-73.8	-1.3	179.7	61.7	0	0	0	0	115.6	P553 N554 M687 C698 Y700	P553-S556 VanDerWaalsContact O-CB 3.28Å; P553-S556 WeakPolarHBondContact O-CB 3.45Å; P553-S556 PolarHBondContact O-N 2.59Å; P553-S556 PolarHBondContact O-OG 3.34Å; N554-S556 PolarHBondContact O-N 3.2Å; S556-M687 VanDerWaalsContact O-CE 3.25Å; S556-M687 WeakPolarHBondContact O-CE 3.46Å; S556-M687 WeakPolarHBondContact OG-CG 3.28Å; S556-C698 VanDerWaalsContact CB-SG 3.59Å; S556-Y700 WeakPolarHBondContact O-CD1 3.4Å
557	G	88	Confident	90.3	Very high	11 Å²	11	17 Å²	17	11%	0.113	11%	0.113	C	C	.	.	S	Bend	trans	97.4	6.6	-180	0	0	0	0	0	116	G555 S559 I560 Y561	G555-G557 PolarHBondContact O-N 3.32Å; G557-S559 PolarHBondContact O-N 2.99Å; G557-I560 PolarHBondContact O-N 3.15Å; G557-Y561 PolarHBondContact O-N 3.07Å
558	K	90.3	Very high	90.5	Very high	11 Å²	11	17 Å²	17	5%	0.048	11%	0.113	C	C	.	.	H	α-helix	trans	-48.6	-51.2	179.5	-63.7	-169.3	-58.9	-79.8	0	113.5	L550 G552 P553 I560 Y561 M562 M687	L550-K558 HydrophobicContact CD2-CB 3.83Å; L550-K558 HydrophobicContact CD2-CG 4.13Å; L550-K558 HydrophobicContact CG-CB 4.46Å; L550-K558 HydrophobicContact CG-CD 4.43Å; L550-K558 HydrophobicContact CG-CG 4.25Å; G552-K558 PolarHBondContact O-NZ 3.43Å; P553-K558 PolarHBondContact O-NZ 3Å; K558-I560 PolarHBondContact O-N 3.17Å; K558-Y561 WeakPolarHBondContact O-CB 3.44Å; K558-Y561 PolarHBondContact O-N 3.32Å; K558-M562 PolarHBondContact O-N 3.34Å; K558-M687 HydrophobicContact CG-CG 3.67Å
559	S	90.4	Very high	90.7	Very high	46 Å²	46	17 Å²	17	32%	0.322	11%	0.113	S	C	.	.	H	α-helix	trans	-65.2	-38.6	179.9	-51.6	0	0	0	0	112.1	G557 Y561 M562 K563 D631	G557-S559 PolarHBondContact O-N 2.99Å; S559-Y561 VanDerWaalsContact C-N 3.34Å; S559-Y561 PolarHBondContact O-N 3.42Å; S559-M562 PolarHBondContact O-N 3.36Å; S559-K563 VanDerWaalsContact O-CB 3.27Å; S559-K563 WeakPolarHBondContact O-CB 3.41Å; S559-K563 WeakPolarHBondContact O-CG 3.41Å; S559-K563 PolarHBondContact O-N 3.08Å; S559-D631 VanDerWaalsContact CB-OD2 3.24Å; S559-D631 WeakPolarHBondContact CB-OD2 3.44Å; S559-D631 PolarHBondContact OG-OD1 3Å; S559-D631 PolarHBondContact OG-OD2 2.86Å
560	I	91.6	Very high	90.9	Very high	61 Å²	61	17 Å²	17	31%	0.313	11%	0.113	S	C	.	.	H	α-helix	trans	-64.2	-41.7	176.4	-62.8	176.4	0	0	0	110.4	Y523 G557 K558 K563 T564	Y523-I560 HydrophobicContact CD1-CG2 4.33Å; Y523-I560 HydrophobicContact CG-CG2 4.22Å; G557-I560 PolarHBondContact O-N 3.15Å; K558-I560 PolarHBondContact O-N 3.17Å; I560-K563 PolarHBondContact O-N 2.91Å; I560-T564 WeakPolarHBondContact O-CB 3.34Å; I560-T564 PolarHBondContact O-N 3.16Å; I560-T564 PolarHBondContact O-OG1 2.98Å
561	Y	94.8	Very high	91.1	Very high	7 Å²	7	17 Å²	17	3%	0.027	11%	0.113	C	C	.	.	H	α-helix	trans	-61.9	-48.1	176.9	178.3	-104.4	0	0	0	111.8	N536 S537 F538 L550 G557 K558 S559 T564 I565 L685 A702	N536-Y561 HydrophobicContact CB-CD2 3.7Å; N536-Y561 HydrophobicContact CB-CE2 3.68Å; S537-Y561 PolarHBondContact O-OH 2.8Å; F538-Y561 WeakPolarHBondContact CD2-OH 3.34Å; L550-Y561 HydrophobicContact CD1-CD1 4.14Å; L550-Y561 HydrophobicContact CD1-CE1 4.27Å; L550-Y561 HydrophobicContact CD2-CD1 3.7Å; L550-Y561 HydrophobicContact CD2-CE1 4.41Å; G557-Y561 PolarHBondContact O-N 3.07Å; K558-Y561 WeakPolarHBondContact O-CB 3.44Å; K558-Y561 PolarHBondContact O-N 3.32Å; S559-Y561 VanDerWaalsContact C-N 3.34Å; S559-Y561 PolarHBondContact O-N 3.42Å; Y561-T564 WeakPolarHBondContact O-CB 3.4Å; Y561-T564 PolarHBondContact O-N 2.9Å; Y561-I565 HydrophobicContact CD1-CD1 4.09Å; Y561-I565 HydrophobicContact CE1-CD1 3.65Å; Y561-I565 HydrophobicContact CE2-CD1 4.37Å; Y561-I565 PolarHBondContact O-N 3.08Å; Y561-L685 HydrophobicContact CE1-CD1 3.98Å; Y561-L685 VanDerWaalsContact OH-CD1 3.25Å; Y561-L685 WeakPolarHBondContact OH-CD1 3.31Å; Y561-A702 HydrophobicContact CD1-CB 4.48Å; Y561-A702 HydrophobicContact CD2-CB 3.87Å; Y561-A702 HydrophobicContact CE1-CB 4.17Å; Y561-A702 HydrophobicContact CE2-CB 3.53Å; Y561-A702 HydrophobicContact CG-CB 4.32Å
562	M	95	Very high	91.5	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-43	175.6	-69.5	-175.1	-65.2	0	0	112.7	L550 K558 S559 T564 I565 A566 I629 D631 I663 A665	L550-M562 HydrophobicContact CD2-CG 3.92Å; L550-M562 HydrophobicContact CD2-SD 4.33Å; K558-M562 PolarHBondContact O-N 3.34Å; S559-M562 PolarHBondContact O-N 3.36Å; M562-T564 VanDerWaalsContact C-N 3.28Å; M562-T564 PolarHBondContact O-N 3.04Å; M562-I565 PolarHBondContact O-N 2.74Å; M562-A566 PolarHBondContact O-N 3.42Å; M562-A566 VanDerWaalsContact O-N 3.08Å; M562-I629 HydrophobicContact CB-CD1 4.32Å; M562-I629 HydrophobicContact CB-CG2 3.95Å; M562-I629 HydrophobicContact CG-CG2 4.34Å; M562-I629 WeakPolarHBondContact O-CD1 3.39Å; M562-I629 HydrophobicContact SD-CG2 3.79Å; M562-D631 HydrophobicContact CE-CB 3.51Å; M562-D631 VanDerWaalsContact CE-OD1 3.31Å; M562-D631 WeakPolarHBondContact CE-OD1 3.48Å; M562-D631 HydrophobicContact SD-CB 4.43Å; M562-I663 HydrophobicContact CG-CG2 3.8Å; M562-I663 HydrophobicContact SD-CG2 3.98Å; M562-A665 HydrophobicContact CE-CB 3.34Å; M562-A665 HydrophobicContact SD-CB 3.53Å; M562-A665 VanDerWaalsContact SD-CB 3.53Å
563	K	94.2	Very high	92	Very high	34 Å²	34	16.5 Å²	16.5	15%	0.148	11%	0.107	C	C	.	.	H	α-helix	trans	-57.7	-41.7	173.6	-77.3	179.5	178.1	-159.7	0	111.4	Y213 L214 Y523 S559 I560 I565 A566 L567	Y213-K563 HydrophobicContact CD1-CG 4.03Å; Y213-K563 HydrophobicContact CE1-CD 4.25Å; Y213-K563 HydrophobicContact CE1-CG 3.38Å; Y213-K563 WeakPolarHBondContact O-CE 3.49Å; Y213-K563 PolarHBondContact O-NZ 3.46Å; L214-K563 HydrophobicContact CD2-CB 4.35Å; L214-K563 HydrophobicContact CD2-CG 4.26Å; Y523-K563 HydrophobicContact CD2-CB 4.01Å; Y523-K563 HydrophobicContact CE1-CD 4.41Å; Y523-K563 HydrophobicContact CE2-CB 3.82Å; Y523-K563 HydrophobicContact CE2-CD 4.26Å; S559-K563 VanDerWaalsContact O-CB 3.27Å; S559-K563 WeakPolarHBondContact O-CB 3.41Å; S559-K563 WeakPolarHBondContact O-CG 3.41Å; S559-K563 PolarHBondContact O-N 3.08Å; I560-K563 PolarHBondContact O-N 2.91Å; K563-I565 VanDerWaalsContact C-N 3.33Å; K563-I565 PolarHBondContact O-N 2.57Å; K563-A566 PolarHBondContact O-N 2.98Å; K563-L567 WeakPolarHBondContact O-CB 3.31Å; K563-L567 PolarHBondContact O-N 3.43Å
564	T	95.9	Very high	92.6	Very high	10 Å²	10	16.1 Å²	16.1	6%	0.061	10%	0.104	C	C	.	.	H	α-helix	trans	-57.7	-47.6	177.6	-59.8	0	0	0	0	110.8	Y523 I560 Y561 M562 L567 I568	Y523-T564 PolarHBondContact N-OG1 2.75Å; I560-T564 WeakPolarHBondContact O-CB 3.34Å; I560-T564 PolarHBondContact O-N 3.16Å; I560-T564 PolarHBondContact O-OG1 2.98Å; Y561-T564 WeakPolarHBondContact O-CB 3.4Å; Y561-T564 PolarHBondContact O-N 2.9Å; M562-T564 VanDerWaalsContact C-N 3.28Å; M562-T564 PolarHBondContact O-N 3.04Å; T564-L567 PolarHBondContact O-N 3.18Å; T564-I568 HydrophobicContact CG2-CD1 3.63Å; T564-I568 HydrophobicContact CG2-CG1 4.46Å; T564-I568 WeakPolarHBondContact O-CB 3.33Å; T564-I568 VanDerWaalsContact O-CG1 3.25Å; T564-I568 WeakPolarHBondContact O-CG1 3.44Å; T564-I568 PolarHBondContact O-N 3.35Å
565	I	96.9	Very high	93.5	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-63.1	-53.4	-179.5	-61.8	162.6	0	0	0	111	I516 I518 F538 Y561 M562 K563 L567 I568 T569 I663	I516-I565 HydrophobicContact CG2-CG2 4.3Å; I518-I565 HydrophobicContact CD1-CB 4.25Å; I518-I565 HydrophobicContact CD1-CG1 4.22Å; I518-I565 HydrophobicContact CD1-CG2 4.08Å; F538-I565 HydrophobicContact CB-CD1 3.88Å; F538-I565 HydrophobicContact CB-CG1 3.94Å; F538-I565 HydrophobicContact CD1-CD1 3.84Å; F538-I565 HydrophobicContact CD1-CG1 3.97Å; F538-I565 HydrophobicContact CD1-CG2 3.74Å; F538-I565 HydrophobicContact CD2-CD1 3.62Å; F538-I565 HydrophobicContact CE1-CD1 4.26Å; F538-I565 HydrophobicContact CE1-CG2 3.85Å; F538-I565 HydrophobicContact CE2-CD1 4.06Å; F538-I565 HydrophobicContact CG-CD1 3.48Å; F538-I565 VanDerWaalsContact CG-CD1 3.48Å; F538-I565 HydrophobicContact CG-CG1 3.88Å; F538-I565 HydrophobicContact CG-CG2 4.48Å; F538-I565 HydrophobicContact CZ-CD1 4.36Å; Y561-I565 HydrophobicContact CD1-CD1 4.09Å; Y561-I565 HydrophobicContact CE1-CD1 3.65Å; Y561-I565 HydrophobicContact CE2-CD1 4.37Å; Y561-I565 PolarHBondContact O-N 3.08Å; M562-I565 PolarHBondContact O-N 2.74Å; K563-I565 VanDerWaalsContact C-N 3.33Å; K563-I565 PolarHBondContact O-N 2.57Å; I565-L567 VanDerWaalsContact C-N 3.34Å; I565-L567 PolarHBondContact O-N 3.3Å; I565-I568 PolarHBondContact O-N 3.05Å; I565-T569 PolarHBondContact O-N 3.35Å; I565-T569 VanDerWaalsContact O-N 3.07Å; I565-T569 PolarHBondContact O-OG1 3.33Å; I565-T569 VanDerWaalsContact O-OG1 3.08Å; I565-I663 HydrophobicContact CB-CD1 4.17Å; I565-I663 HydrophobicContact CD1-CD1 3.63Å; I565-I663 HydrophobicContact CG1-CD1 4.5Å; I565-I663 HydrophobicContact CG2-CD1 3.81Å
566	A	96.5	Very high	94.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.1	-38.1	179.9	0	0	0	0	0	113.1	L214 M562 K563 T569 Y570 I591 L627 I629	L214-A566 HydrophobicContact CD1-CB 4.09Å; L214-A566 HydrophobicContact CD2-CB 3.69Å; M562-A566 PolarHBondContact O-N 3.42Å; M562-A566 VanDerWaalsContact O-N 3.08Å; K563-A566 PolarHBondContact O-N 2.98Å; A566-T569 PolarHBondContact O-N 3.33Å; A566-Y570 VanDerWaalsContact O-CB 3.3Å; A566-Y570 WeakPolarHBondContact O-CB 3.41Å; A566-Y570 PolarHBondContact O-N 3.27Å; A566-I591 HydrophobicContact CB-CG2 4.3Å; A566-L627 HydrophobicContact CB-CD2 4.28Å; A566-I629 HydrophobicContact CB-CD1 3.25Å; A566-I629 HydrophobicContact CB-CG1 4.5Å
567	L	95.9	Very high	95	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-70.1	-38.8	-179	-162	84.8	0	0	0	111.8	L214 I216 L240 Y523 P524 K563 T564 I565 Y570 L571	L214-L567 HydrophobicContact CB-CD1 4.01Å; I216-L567 HydrophobicContact CG1-CD1 4.16Å; L240-L567 HydrophobicContact CD1-CD2 4.32Å; L240-L567 HydrophobicContact CD2-CD1 3.8Å; L240-L567 HydrophobicContact CD2-CD2 4.46Å; L240-L567 HydrophobicContact CD2-CG 4.16Å; Y523-L567 HydrophobicContact CD2-CD2 4.09Å; Y523-L567 HydrophobicContact CE2-CD2 3.91Å; P524-L567 HydrophobicContact CG-CD2 3.27Å; K563-L567 WeakPolarHBondContact O-CB 3.31Å; K563-L567 PolarHBondContact O-N 3.43Å; T564-L567 PolarHBondContact O-N 3.18Å; I565-L567 VanDerWaalsContact C-N 3.34Å; I565-L567 PolarHBondContact O-N 3.3Å; L567-Y570 PolarHBondContact O-N 3.13Å; L567-L571 HydrophobicContact CD2-CD1 4.48Å; L567-L571 HydrophobicContact CG-CD1 4.47Å; L567-L571 WeakPolarHBondContact O-CB 3.5Å; L567-L571 WeakPolarHBondContact O-CG 3.4Å; L567-L571 PolarHBondContact O-N 3.08Å
568	I	97.5	Very high	95.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-64.9	-43.2	174.7	-73.3	171	0	0	0	110.5	I518 T564 I565 Y570 L571 T572 I578 P579 A580 I585	I518-I568 HydrophobicContact CD1-CB 4.03Å; I518-I568 HydrophobicContact CD1-CD1 4.18Å; I518-I568 HydrophobicContact CD1-CG2 3.89Å; I518-I568 HydrophobicContact CG1-CG2 4.07Å; I518-I568 HydrophobicContact CG2-CD1 3.68Å; T564-I568 HydrophobicContact CG2-CD1 3.63Å; T564-I568 HydrophobicContact CG2-CG1 4.46Å; T564-I568 WeakPolarHBondContact O-CB 3.33Å; T564-I568 VanDerWaalsContact O-CG1 3.25Å; T564-I568 WeakPolarHBondContact O-CG1 3.44Å; T564-I568 PolarHBondContact O-N 3.35Å; I565-I568 PolarHBondContact O-N 3.05Å; I568-Y570 VanDerWaalsContact C-N 3.34Å; I568-Y570 PolarHBondContact O-N 3.41Å; I568-L571 PolarHBondContact O-N 3.27Å; I568-T572 PolarHBondContact O-N 3.08Å; I568-T572 PolarHBondContact O-OG1 3.35Å; I568-I578 HydrophobicContact CG2-CB 4.14Å; I568-I578 HydrophobicContact CG2-CD1 3.66Å; I568-I578 HydrophobicContact CG2-CG2 4.15Å; I568-P579 HydrophobicContact CD1-CG 4.43Å; I568-P579 HydrophobicContact CG1-CG 3.96Å; I568-A580 HydrophobicContact CD1-CB 4.31Å; I568-I585 HydrophobicContact CG2-CD1 3.66Å
569	T	96.5	Very high	95.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.2	-47.1	173.1	-58.2	0	0	0	0	110.6	I565 A566 T572 H573 I585 F588 I591 L627	I565-T569 PolarHBondContact O-N 3.35Å; I565-T569 VanDerWaalsContact O-N 3.07Å; I565-T569 PolarHBondContact O-OG1 3.33Å; I565-T569 VanDerWaalsContact O-OG1 3.08Å; A566-T569 PolarHBondContact O-N 3.33Å; T569-T572 WeakPolarHBondContact O-CB 3.31Å; T569-T572 PolarHBondContact O-N 3.45Å; T569-H573 PolarHBondContact O-N 3.27Å; T569-H573 PolarHBondContact O-ND1 2.91Å; T569-I585 HydrophobicContact CG2-CG2 4.32Å; T569-F588 HydrophobicContact CG2-CB 4.5Å; T569-F588 HydrophobicContact CG2-CD2 3.65Å; T569-F588 HydrophobicContact CG2-CE2 4.13Å; T569-F588 HydrophobicContact CG2-CG 4.02Å; T569-I591 HydrophobicContact CG2-CD1 4.24Å; T569-L627 HydrophobicContact CG2-CD2 4.41Å
570	Y	97	Very high	96.1	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61	-45.8	176.9	168.9	-92.8	0	0	0	113.1	V206 I216 L240 M260 P263 A566 L567 I568 T572 H573 I574	V206-Y570 HydrophobicContact CG2-CD2 4.21Å; I216-Y570 HydrophobicContact CD1-CD1 3.89Å; I216-Y570 HydrophobicContact CD1-CD2 3.79Å; I216-Y570 HydrophobicContact CD1-CE1 3.83Å; I216-Y570 HydrophobicContact CD1-CE2 3.71Å; I216-Y570 HydrophobicContact CD1-CG 3.87Å; I216-Y570 HydrophobicContact CG1-CD1 4.38Å; I216-Y570 HydrophobicContact CG1-CE1 4.15Å; I216-Y570 HydrophobicContact CG2-CE1 3.91Å; I216-Y570 HydrophobicContact CG2-CE2 4.45Å; I216-Y570 VanDerWaalsContact CG2-OH 3.24Å; I216-Y570 WeakPolarHBondContact CG2-OH 3.45Å; L240-Y570 HydrophobicContact CD2-CD1 3.99Å; L240-Y570 HydrophobicContact CD2-CE1 3.75Å; M260-Y570 WeakPolarHBondContact CA-OH 3.4Å; M260-Y570 VanDerWaalsContact CB-OH 3.32Å; M260-Y570 WeakPolarHBondContact CB-OH 3.41Å; M260-Y570 PolarHBondContact O-OH 3.32Å; P263-Y570 HydrophobicContact CB-CD2 4.25Å; P263-Y570 HydrophobicContact CB-CE2 3.98Å; P263-Y570 HydrophobicContact CG-CD2 4.23Å; P263-Y570 HydrophobicContact CG-CE2 3.86Å; A566-Y570 VanDerWaalsContact O-CB 3.3Å; A566-Y570 WeakPolarHBondContact O-CB 3.41Å; A566-Y570 PolarHBondContact O-N 3.27Å; L567-Y570 PolarHBondContact O-N 3.13Å; I568-Y570 VanDerWaalsContact C-N 3.34Å; I568-Y570 PolarHBondContact O-N 3.41Å; Y570-T572 VanDerWaalsContact C-N 3.27Å; Y570-T572 PolarHBondContact O-N 2.75Å; Y570-H573 WeakPolarHBondContact O-CA 3.41Å; Y570-H573 PolarHBondContact O-N 2.86Å; Y570-I574 HydrophobicContact CE1-CD1 4.32Å; Y570-I574 HydrophobicContact CE1-CG2 4.12Å; Y570-I574 HydrophobicContact CE2-CG2 4.14Å; Y570-I574 PolarHBondContact O-N 2.88Å; Y570-I574 VanDerWaalsContact O-N 3.15Å
571	L	97.1	Very high	96.4	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-60.6	-38.5	178.5	-82.4	172.2	0	0	0	112	L240 L244 W505 L567 I568 H573 I574 G575 S576 I578 P579	L240-L571 HydrophobicContact CD1-CD1 4.45Å; L240-L571 HydrophobicContact CD1-CD2 4.17Å; L240-L571 HydrophobicContact CD2-CD2 3.72Å; L240-L571 HydrophobicContact CD2-CG 4.08Å; L240-L571 HydrophobicContact CG-CD2 4.38Å; L244-L571 HydrophobicContact CD1-CD2 3.93Å; W505-L571 HydrophobicContact CH2-CD1 4.3Å; W505-L571 HydrophobicContact CZ3-CD1 4.21Å; W505-L571 HydrophobicContact CZ3-CD2 4.25Å; L567-L571 HydrophobicContact CD2-CD1 4.48Å; L567-L571 HydrophobicContact CG-CD1 4.47Å; L567-L571 WeakPolarHBondContact O-CB 3.5Å; L567-L571 WeakPolarHBondContact O-CG 3.4Å; L567-L571 PolarHBondContact O-N 3.08Å; I568-L571 PolarHBondContact O-N 3.27Å; L571-H573 VanDerWaalsContact C-N 3.29Å; L571-H573 PolarHBondContact O-N 3.14Å; L571-I574 HydrophobicContact CD2-CD1 3.81Å; L571-I574 HydrophobicContact CD2-CG1 4.43Å; L571-I574 WeakPolarHBondContact O-CG1 3.4Å; L571-I574 PolarHBondContact O-N 3.28Å; L571-G575 PolarHBondContact O-N 2.86Å; L571-S576 PolarHBondContact O-N 3.09Å; L571-S576 VanDerWaalsContact O-N 3.09Å; L571-I578 HydrophobicContact CB-CG2 3.82Å; L571-P579 VanDerWaalsContact CD1-CD 3.45Å; L571-P579 HydrophobicContact CD1-CG 4.16Å
572	T	96.8	Very high	96.5	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.012	4%	0.041	C	C	.	.	H	α-helix	trans	-58.1	-44.9	172	-54.9	0	0	0	0	110.1	I270 P508 I510 I568 T569 Y570 I574 G575	I270-T572 WeakPolarHBondContact CG2-O 3.24Å; P508-T572 HydrophobicContact CB-CG2 4.06Å; P508-T572 HydrophobicContact CG-CG2 3.9Å; I510-T572 HydrophobicContact CG1-CG2 4.22Å; I568-T572 PolarHBondContact O-N 3.08Å; I568-T572 PolarHBondContact O-OG1 3.35Å; T569-T572 WeakPolarHBondContact O-CB 3.31Å; T569-T572 PolarHBondContact O-N 3.45Å; Y570-T572 VanDerWaalsContact C-N 3.27Å; Y570-T572 PolarHBondContact O-N 2.75Å; T572-I574 VanDerWaalsContact C-N 3.31Å; T572-I574 PolarHBondContact O-N 3.23Å; T572-G575 PolarHBondContact O-N 3.42Å
573	H	95.9	Very high	96.6	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-73.9	-14	-176.8	-72.7	67.4	0	0	0	114.6	L204 P263 I264 T569 Y570 L571 F588	L204-H573 HydrophobicContact CB-CB 4.4Å; L204-H573 HydrophobicContact CD2-CB 3.75Å; P263-H573 HydrophobicContact CB-CB 4.1Å; I264-H573 WeakPolarHBondContact CA-O 3.49Å; I264-H573 WeakPolarHBondContact CB-O 3.18Å; I264-H573 PolarHBondContact N-O 2.87Å; I264-H573 VanDerWaalsContact O-CB 3.24Å; I264-H573 WeakPolarHBondContact O-CB 3.42Å; I264-H573 PolarHBondContact O-CD2 3.16Å; T569-H573 PolarHBondContact O-N 3.27Å; T569-H573 PolarHBondContact O-ND1 2.91Å; Y570-H573 WeakPolarHBondContact O-CA 3.41Å; Y570-H573 PolarHBondContact O-N 2.86Å; L571-H573 VanDerWaalsContact C-N 3.29Å; L571-H573 PolarHBondContact O-N 3.14Å; H573-F588 AromaticContact CE1-CD2 3.86Å; H573-F588 PolarHBondContact NE2-N 3.37Å
574	I	94.4	Very high	96.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-88.6	-6.1	168.9	65.4	171.9	0	0	0	112.6	L244 M260 P263 R273 F496 Y570 L571 T572	L244-I574 HydrophobicContact CD1-CD1 3.78Å; M260-I574 HydrophobicContact CG-CD1 4.28Å; P263-I574 HydrophobicContact CB-CG2 3.87Å; R273-I574 WeakPolarHBondContact CD-O 3.49Å; R273-I574 PolarHBondContact NH1-O 3.44Å; F496-I574 HydrophobicContact CE1-CD1 4.07Å; F496-I574 HydrophobicContact CZ-CB 4.44Å; F496-I574 HydrophobicContact CZ-CD1 3.88Å; F496-I574 HydrophobicContact CZ-CG1 4.16Å; Y570-I574 HydrophobicContact CE1-CD1 4.32Å; Y570-I574 HydrophobicContact CE1-CG2 4.12Å; Y570-I574 HydrophobicContact CE2-CG2 4.14Å; Y570-I574 PolarHBondContact O-N 2.88Å; Y570-I574 VanDerWaalsContact O-N 3.15Å; L571-I574 HydrophobicContact CD2-CD1 3.81Å; L571-I574 HydrophobicContact CD2-CG1 4.43Å; L571-I574 WeakPolarHBondContact O-CG1 3.4Å; L571-I574 PolarHBondContact O-N 3.28Å; T572-I574 VanDerWaalsContact C-N 3.31Å; T572-I574 PolarHBondContact O-N 3.23Å
575	G	95.3	Very high	96.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	23.9	-175.1	0	0	0	0	0	113.5	L571 T572	L571-G575 PolarHBondContact O-N 2.86Å; T572-G575 PolarHBondContact O-N 3.42Å
576	S	96.5	Very high	96.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.			trans	-93.2	155.6	176.2	177.7	0	0	0	0	110.7	L571	L571-S576 PolarHBondContact O-N 3.09Å; L571-S576 VanDerWaalsContact O-N 3.09Å
577	Y	97.8	Very high	96.4	Very high	17 Å²	17	9.4 Å²	9.4	7%	0.067	5%	0.051	C	C	.	.			trans	-65	162	161.7	-79.6	-138.7	0	0	0	109.5	L274 V277 E278 L281 A500 W505 T506 R507	L274-Y577 HydrophobicContact CD2-CD2 3.96Å; L274-Y577 HydrophobicContact CD2-CE2 4.22Å; V277-Y577 HydrophobicContact CB-CD2 4.16Å; V277-Y577 HydrophobicContact CB-CE2 3.83Å; V277-Y577 HydrophobicContact CG1-CD2 3.55Å; V277-Y577 HydrophobicContact CG1-CE2 3.46Å; V277-Y577 VanDerWaalsContact CG1-CE2 3.46Å; V277-Y577 HydrophobicContact CG1-CG 4.35Å; E278-Y577 WeakPolarHBondContact CA-OH 3.32Å; E278-Y577 VanDerWaalsContact CB-OH 3.29Å; E278-Y577 WeakPolarHBondContact CB-OH 3.43Å; L281-Y577 HydrophobicContact CD1-CD1 4.13Å; L281-Y577 HydrophobicContact CD1-CE1 3.53Å; L281-Y577 HydrophobicContact CD1-CE2 4.4Å; A500-Y577 HydrophobicContact CB-CD1 3.91Å; A500-Y577 HydrophobicContact CB-CG 3.84Å; W505-Y577 WeakPolarHBondContact O-CD1 3.24Å; T506-Y577 VanDerWaalsContact C-CD1 3.41Å; T506-Y577 WeakPolarHBondContact O-CA 3.49Å; R507-Y577 HydrophobicContact CB-CD1 4.26Å; R507-Y577 HydrophobicContact CB-CE1 3.74Å; R507-Y577 HydrophobicContact CB-CE2 4.01Å; R507-Y577 HydrophobicContact CG-CE2 4.04Å; R507-Y577 VanDerWaalsContact N-CD1 3.33Å
578	I	98	Very high	96.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	-124.4	150.1	-169.3	57.8	158.9	0	0	0	113.1	W505 T506 P508 I568 L571 A580 A583	W505-I578 WeakPolarHBondContact CA-O 3.43Å; W505-I578 VanDerWaalsContact CB-O 3.24Å; W505-I578 WeakPolarHBondContact CB-O 3.29Å; T506-I578 PolarHBondContact N-O 3.44Å; T506-I578 VanDerWaalsContact O-CG1 3.23Å; T506-I578 WeakPolarHBondContact O-CG1 3.3Å; T506-I578 PolarHBondContact O-N 2.9Å; P508-I578 HydrophobicContact CB-CD1 3.89Å; P508-I578 HydrophobicContact CB-CG1 4.13Å; P508-I578 HydrophobicContact CB-CG2 4.37Å; P508-I578 HydrophobicContact CG-CG1 4.42Å; P508-I578 HydrophobicContact CG-CG2 4.12Å; I568-I578 HydrophobicContact CG2-CB 4.14Å; I568-I578 HydrophobicContact CG2-CD1 3.66Å; I568-I578 HydrophobicContact CG2-CG2 4.15Å; L571-I578 HydrophobicContact CB-CG2 3.82Å; I578-A580 HydrophobicContact CD1-CB 3.9Å; I578-A580 HydrophobicContact CG1-CB 4.37Å; I578-A580 PolarHBondContact O-N 3.24Å; I578-A583 HydrophobicContact CD1-CB 3.25Å
579	P	96.8	Very high	96	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-76	70.6	174.8	31.9	-36.5	0	0	0	111.6	G521 W522 P524 I568 L571	G521-P579 CarbonylContact C-O 3.53Å; G521-P579 VanDerWaalsContact CA-O 3.27Å; G521-P579 WeakPolarHBondContact CA-O 3.34Å; W522-P579 HydrophobicContact CD2-CB 4Å; W522-P579 HydrophobicContact CG-CB 4.23Å; W522-P579 HydrophobicContact CZ2-CB 4Å; W522-P579 PolarHBondContact N-O 3.43Å; W522-P579 WeakPolarHBondContact O-CG 3.47Å; P524-P579 HydrophobicContact CB-CB 4.25Å; P524-P579 HydrophobicContact CB-CG 4.19Å; P524-P579 HydrophobicContact CG-CG 4.01Å; I568-P579 HydrophobicContact CD1-CG 4.43Å; I568-P579 HydrophobicContact CG1-CG 3.96Å; L571-P579 VanDerWaalsContact CD1-CD 3.45Å; L571-P579 HydrophobicContact CD1-CG 4.16Å
580	A	97.4	Very high	95.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	159.5	175.6	0	0	0	0	0	110.6	T506 I518 W522 I568 I578 G582	T506-A580 WeakPolarHBondContact CB-O 3.49Å; T506-A580 PolarHBondContact OG1-O 2.8Å; I518-A580 HydrophobicContact CG2-CB 4.24Å; W522-A580 VanDerWaalsContact CZ3-CA 3.46Å; I568-A580 HydrophobicContact CD1-CB 4.31Å; I578-A580 HydrophobicContact CD1-CB 3.9Å; I578-A580 HydrophobicContact CG1-CB 4.37Å; I578-A580 PolarHBondContact O-N 3.24Å; A580-G582 PolarHBondContact O-N 3.31Å
581	E	97.4	Very high	95.7	Very high	77 Å²	77	10.5 Å²	10.5	36%	0.36	6%	0.057	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-19.5	168.9	-72.1	179.8	-156.8	0	0	111.7	Y519 K520 K535	Y519-E581 HydrophobicContact CD1-CB 3.64Å; Y519-E581 HydrophobicContact CE1-CB 3.97Å; Y519-E581 WeakPolarHBondContact CE1-OE2 3.44Å; Y519-E581 PolarHBondContact O-N 3.22Å; Y519-E581 VanDerWaalsContact O-N 3.13Å; K520-E581 HydrophobicContact CB-CB 4.25Å; K520-E581 HydrophobicContact CB-CG 4.15Å; K520-E581 HydrophobicContact CD-CG 4.38Å; K520-E581 WeakPolarHBondContact CD-OE1 3.5Å; K520-E581 WeakPolarHBondContact CD-OE2 3.24Å; K520-E581 IonicContact NZ-OE1 3.65Å; K520-E581 IonicContact NZ-OE2 2.93Å; K520-E581 PolarHBondContact NZ-OE2 2.66Å; K520-E581 PolarHBondContact O-N 3.14Å; K535-E581 IonicContact NZ-OE1 3.86Å; K535-E581 PolarHBondContact NZ-OE1 2.86Å
582	G	97.2	Very high	95.5	Very high	19 Å²	19	10.8 Å²	10.8	20%	0.196	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	158.1	168.7	0	0	0	0	0	111.4	Y519 A580	Y519-G582 WeakPolarHBondContact CB-O 3.12Å; Y519-G582 PolarHBondContact N-O 3.21Å; Y519-G582 PolarHBondContact O-N 2.62Å; A580-G582 PolarHBondContact O-N 3.31Å
583	A	97.5	Very high	95.2	Very high	13 Å²	13	10.8 Å²	10.8	11%	0.107	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	150.8	171	0	0	0	0	0	112.2	K509 H517 I518 I578 I585	K509-A583 WeakPolarHBondContact CB-O 3.46Å; K509-A583 PolarHBondContact N-O 3.2Å; H517-A583 CarbonylContact O-C 3.53Å; H517-A583 WeakPolarHBondContact O-CA 3.45Å; H517-A583 VanDerWaalsContact O-CB 3.28Å; H517-A583 WeakPolarHBondContact O-CB 3.48Å; I518-A583 HydrophobicContact CG1-CB 4.45Å; I578-A583 HydrophobicContact CD1-CB 3.25Å; A583-I585 HydrophobicContact CB-CD1 3.87Å; A583-I585 HydrophobicContact CB-CG1 4.07Å
584	K	96.1	Very high	95	Very high	56 Å²	56	11 Å²	11	24%	0.243	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	112.6	167.1	174.5	-179.6	161.6	172.1	0	107.3	K509 V511 E513 C515 H517	K509-K584 CarbonylContact O-C 3.57Å; K509-K584 VanDerWaalsContact O-CA 3.28Å; K509-K584 WeakPolarHBondContact O-CA 3.49Å; V511-K584 HydrophobicContact CB-CG 4.28Å; V511-K584 HydrophobicContact CG1-CD 3.96Å; V511-K584 HydrophobicContact CG1-CG 3.72Å; V511-K584 HydrophobicContact CG2-CD 4.16Å; V511-K584 HydrophobicContact CG2-CG 3.55Å; E513-K584 IonicContact OE2-NZ 3.21Å; E513-K584 PolarHBondContact OE2-NZ 2.81Å; C515-K584 VanDerWaalsContact SG-CE 3.58Å; H517-K584 HydrophobicContact CB-CB 4.14Å; H517-K584 PolarHBondContact N-O 2.92Å; H517-K584 PolarHBondContact O-N 3.15Å
585	I	95.8	Very high	94.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.7	-170	-63.9	174.1	0	0	0	108.9	K509 I510 V511 I518 I568 T569 A583 F588	K509-I585 PolarHBondContact O-N 3.4Å; I510-I585 WeakPolarHBondContact CA-O 3.5Å; V511-I585 PolarHBondContact N-O 3.35Å; I518-I585 HydrophobicContact CG1-CD1 4.45Å; I568-I585 HydrophobicContact CG2-CD1 3.66Å; T569-I585 HydrophobicContact CG2-CG2 4.32Å; A583-I585 HydrophobicContact CB-CD1 3.87Å; A583-I585 HydrophobicContact CB-CG1 4.07Å; I585-F588 HydrophobicContact CG2-CD2 4.35Å; I585-F588 HydrophobicContact CG2-CE2 4.07Å
586	S	93.8	Very high	93.2	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.007	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	164.8	171.4	58.7	0	0	0	0	112.5	V511 E513 C515 F588	V511-S586 VanDerWaalsContact O-CA 3.27Å; V511-S586 WeakPolarHBondContact O-CA 3.17Å; E513-S586 WeakPolarHBondContact O-CB 3.18Å; C515-S586 PolarHBondContact N-OG 3.12Å; C515-S586 PolarHBondContact O-N 2.8Å; C515-S586 PolarHBondContact O-OG 2.86Å; S586-F588 WeakPolarHBondContact O-CD2 3.28Å; S586-F588 VanDerWaalsContact O-CE2 3.24Å; S586-F588 WeakPolarHBondContact O-CE2 3.33Å; S586-F588 WeakPolarHBondContact OG-CE2 3.05Å
587	T	93.9	Very high	91.6	Very high	11 Å²	11	15 Å²	15	7%	0.067	8%	0.084	C	C	.	.			trans	-65.8	137.5	169.2	60.7	0	0	0	0	111	S265 E267 I510 K625	S265-T587 WeakPolarHBondContact O-CB 3.32Å; S265-T587 VanDerWaalsContact O-CG2 3.25Å; S265-T587 WeakPolarHBondContact O-CG2 3.45Å; E267-T587 HydrophobicContact CB-CG2 3.87Å; I510-T587 HydrophobicContact CG2-CG2 4.26Å; T587-K625 VanDerWaalsContact O-CD 3.3Å; T587-K625 WeakPolarHBondContact O-CD 3.35Å; T587-K625 WeakPolarHBondContact O-CG 3.45Å; T587-K625 PolarHBondContact OG1-NZ 3.12Å
588	F	93.9	Very high	89.5	Confident	2 Å²	2	15.2 Å²	15.2	1%	0.009	9%	0.086	C	C	.	.			trans	-115.4	152.2	175.8	-75.4	-101.1	0	0	0	110.1	L204 S265 I516 T569 H573 I585 S586 K625 L627 Y661	L204-F588 VanDerWaalsContact CD1-C 3.44Å; L204-F588 HydrophobicContact CD1-CB 3.56Å; L204-F588 VanDerWaalsContact CD1-O 3.28Å; L204-F588 WeakPolarHBondContact CD1-O 3.33Å; S265-F588 WeakPolarHBondContact CB-O 3.41Å; I516-F588 HydrophobicContact CD1-CE1 3.93Å; I516-F588 HydrophobicContact CD1-CE2 4.18Å; I516-F588 HydrophobicContact CD1-CZ 3.42Å; I516-F588 VanDerWaalsContact CD1-CZ 3.42Å; I516-F588 HydrophobicContact CG1-CE1 4.35Å; I516-F588 HydrophobicContact CG1-CE2 3.84Å; I516-F588 HydrophobicContact CG1-CZ 3.36Å; T569-F588 HydrophobicContact CG2-CB 4.5Å; T569-F588 HydrophobicContact CG2-CD2 3.65Å; T569-F588 HydrophobicContact CG2-CE2 4.13Å; T569-F588 HydrophobicContact CG2-CG 4.02Å; H573-F588 AromaticContact CE1-CD2 3.86Å; H573-F588 PolarHBondContact NE2-N 3.37Å; I585-F588 HydrophobicContact CG2-CD2 4.35Å; I585-F588 HydrophobicContact CG2-CE2 4.07Å; S586-F588 WeakPolarHBondContact O-CD2 3.28Å; S586-F588 VanDerWaalsContact O-CE2 3.24Å; S586-F588 WeakPolarHBondContact O-CE2 3.33Å; S586-F588 WeakPolarHBondContact OG-CE2 3.05Å; F588-K625 CarbonylContact C-O 3.58Å; F588-K625 WeakPolarHBondContact CA-O 3.41Å; F588-K625 VanDerWaalsContact CB-O 3.29Å; F588-K625 WeakPolarHBondContact CB-O 3.38Å; F588-K625 WeakPolarHBondContact CD1-O 3.3Å; F588-K625 WeakPolarHBondContact CG-O 3.21Å; F588-L627 HydrophobicContact CD1-CB 3.76Å; F588-L627 HydrophobicContact CE1-CB 3.88Å; F588-Y661 AromaticContact CE1-CD2 3.4Å; F588-Y661 HydrophobicContact CE1-CD2 3.4Å; F588-Y661 AromaticContact CE1-CE2 3.99Å; F588-Y661 HydrophobicContact CE1-CE2 3.99Å; F588-Y661 HydrophobicContact CE1-CG 4.02Å; F588-Y661 AromaticContact CZ-CD2 3.63Å; F588-Y661 HydrophobicContact CZ-CD2 3.63Å; F588-Y661 AromaticContact CZ-CE2 3.82Å; F588-Y661 HydrophobicContact CZ-CE2 3.82Å; F588-Y661 HydrophobicContact CZ-CG 4.2Å
589	D	90.8	Very high	87.1	Confident	20 Å²	20	17.7 Å²	17.7	11%	0.107	10%	0.104	C	C	.	.	S	Bend	trans	-109.3	-21.2	179.1	70.7	-21.9	0	0	0	113.3	Q199 F205 T623 K625 T626	Q199-D589 PolarHBondContact NE2-OD2 3.05Å; F205-D589 WeakPolarHBondContact CB-O 3.21Å; F205-D589 PolarHBondContact N-O 3.45Å; D589-T623 PolarHBondContact OD1-OG1 3.44Å; D589-T623 WeakPolarHBondContact OD2-CB 3.24Å; D589-T623 WeakPolarHBondContact OD2-CG2 3.28Å; D589-T623 PolarHBondContact OD2-OG1 3.37Å; D589-K625 PolarHBondContact N-O 2.76Å; D589-T626 WeakPolarHBondContact OD1-CA 3.5Å; D589-T626 PolarHBondContact OD1-N 3.03Å; D589-T626 PolarHBondContact OD1-OG1 3.41Å
590	A	92.4	Very high	84.8	Confident	1 Å²	1	20 Å²	20	1%	0.008	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	144.3	174.5	0	0	0	0	0	112.9	F205 T626 L627	F205-A590 HydrophobicContact CB-CB 4.01Å; F205-A590 HydrophobicContact CD1-CB 4.29Å; F205-A590 CarbonylContact O-C 3.52Å; F205-A590 VanDerWaalsContact O-CA 3.28Å; F205-A590 WeakPolarHBondContact O-CA 3.49Å; A590-T626 HydrophobicContact CB-CG2 4.03Å; A590-L627 PolarHBondContact O-N 2.63Å
591	I	94.4	Very high	82.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.4	164.1	-56.9	-179.1	0	0	0	108	L204 F205 V206 A566 T569 I593 L627	L204-I591 HydrophobicContact CD1-CG1 4.11Å; L204-I591 HydrophobicContact CD2-CD1 3.81Å; L204-I591 HydrophobicContact CD2-CG1 4.06Å; L204-I591 HydrophobicContact CG-CG1 4.41Å; F205-I591 PolarHBondContact O-N 2.85Å; V206-I591 HydrophobicContact CG2-CB 4.31Å; A566-I591 HydrophobicContact CB-CG2 4.3Å; T569-I591 HydrophobicContact CG2-CD1 4.24Å; I591-I593 HydrophobicContact CG2-CG1 4.34Å; I591-L627 CarbonylContact C-O 3.6Å; I591-L627 WeakPolarHBondContact CA-O 3.33Å; I591-L627 HydrophobicContact CD1-CD2 4.48Å; I591-L627 HydrophobicContact CG1-CB 4.35Å; I591-L627 HydrophobicContact CG1-CD2 4.39Å; I591-L627 HydrophobicContact CG2-CD2 4.39Å
592	H	92.9	Very high	79.9	Confident	6 Å²	6	36.2 Å²	36.2	3%	0.028	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.7	175.2	-66.1	-70	0	0	0	110.8	F205 A618 L627 I628 I629	F205-H592 AromaticContact CD1-CE1 3.66Å; F205-H592 AromaticContact CE1-CE1 3.6Å; H592-A618 HydrophobicContact CB-CB 3.74Å; H592-A618 VanDerWaalsContact CG-CB 3.48Å; H592-L627 PolarHBondContact N-O 2.89Å; H592-I628 HydrophobicContact CB-CG1 4.35Å; H592-I628 CarbonylContact O-C 3.59Å; H592-I628 WeakPolarHBondContact O-CA 3.19Å; H592-I629 PolarHBondContact O-N 3.44Å
593	I	91.8	Very high	77.7	Confident	3 Å²	3	37 Å²	37	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.8	176.8	-55.6	-173.5	0	0	0	108.8	A210 Y213 L214 I591 I629	A210-I593 HydrophobicContact CB-CB 4.01Å; A210-I593 HydrophobicContact CB-CD1 3.7Å; A210-I593 HydrophobicContact CB-CG1 3.64Å; Y213-I593 HydrophobicContact CD1-CD1 3.38Å; Y213-I593 HydrophobicContact CD1-CG1 4.43Å; Y213-I593 HydrophobicContact CD1-CG2 3.66Å; Y213-I593 HydrophobicContact CD2-CG2 3.95Å; Y213-I593 HydrophobicContact CE1-CD1 4.06Å; Y213-I593 HydrophobicContact CE1-CG2 3.97Å; Y213-I593 HydrophobicContact CE2-CG2 4.27Å; Y213-I593 HydrophobicContact CG-CD1 4.07Å; Y213-I593 HydrophobicContact CG-CG2 3.63Å; L214-I593 HydrophobicContact CD1-CD1 3.84Å; L214-I593 HydrophobicContact CD2-CD1 3.86Å; L214-I593 HydrophobicContact CG-CD1 3.52Å; I591-I593 HydrophobicContact CG2-CG1 4.34Å; I593-I629 CarbonylContact C-O 3.59Å; I593-I629 WeakPolarHBondContact CA-O 3.43Å; I593-I629 HydrophobicContact CG1-CB 4.42Å
594	L	90.1	Very high	75.5	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	103.2	-177.2	-48.1	-176.9	0	0	0	107.9	M614 A615 A618 I628 I629 M630 D631 F633	L594-M614 VanDerWaalsContact CD2-C 3.42Å; L594-M614 HydrophobicContact CD2-CB 3.49Å; L594-M614 VanDerWaalsContact CD2-CB 3.49Å; L594-A615 HydrophobicContact CD1-CB 4.17Å; L594-A618 HydrophobicContact CD2-CB 4.36Å; L594-I628 HydrophobicContact CD1-CG2 3.91Å; L594-I628 HydrophobicContact CG-CG2 4.27Å; L594-I629 PolarHBondContact N-O 3.24Å; L594-M630 HydrophobicContact CB-CG 4.18Å; L594-M630 HydrophobicContact CD1-CG 3.87Å; L594-M630 HydrophobicContact CD1-SD 4.48Å; L594-M630 HydrophobicContact CG-CG 4.36Å; L594-M630 WeakPolarHBondContact O-CA 3.16Å; L594-D631 PolarHBondContact O-N 3.34Å; L594-F633 HydrophobicContact CB-CD2 3.6Å; L594-F633 HydrophobicContact CB-CE2 3.85Å; L594-F633 HydrophobicContact CD1-CD2 4.14Å; L594-F633 HydrophobicContact CD1-CE2 3.89Å; L594-F633 HydrophobicContact CG-CD2 4.48Å; L594-F633 HydrophobicContact CG-CE2 4.38Å
595	T	83.8	Confident	73.7	Confident	4 Å²	4	44.7 Å²	44.7	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	143.6	-178.8	-175.5	0	0	0	0	112.1	Y213 T597 D598 D631 F633	Y213-T595 HydrophobicContact CD2-CG2 4.03Å; T595-T597 VanDerWaalsContact C-N 3.27Å; T595-T597 PolarHBondContact O-N 3.23Å; T595-T597 PolarHBondContact OG1-OG1 3.41Å; T595-D598 HydrophobicContact CG2-CB 4.48Å; T595-D631 WeakPolarHBondContact CA-O 3.3Å; T595-D631 PolarHBondContact OG1-O 3.28Å; T595-F633 CarbonylContact C-O 3.58Å
596	G	70	Confident	72.6	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.021	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	15	176.1	0	0	0	0	0	115.3	T607 E632 F633	G596-T607 WeakPolarHBondContact O-CB 3.25Å; G596-E632 PolarHBondContact N-O 3.17Å; G596-F633 PolarHBondContact N-O 2.8Å
597	T	61.1	Low	71.7	Confident	79 Å²	79	49.6 Å²	49.6	49%	0.485	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-8.5	-171	55.6	0	0	0	0	115	T595 S599	T595-T597 VanDerWaalsContact C-N 3.27Å; T595-T597 PolarHBondContact O-N 3.23Å; T595-T597 PolarHBondContact OG1-OG1 3.41Å; T597-S599 PolarHBondContact O-N 3.21Å
598	D	54.3	Low	71	Confident	20 Å²	20	51.7 Å²	51.7	11%	0.107	27%	0.27	C	S	.	.			trans	-94.7	19.6	-161.8	-109.4	-18.9	0	0	0	116.8	K212 T595 T600 M610 M614	K212-D598 WeakPolarHBondContact CE-OD1 3.32Å; K212-D598 IonicContact NZ-OD1 3.43Å; K212-D598 PolarHBondContact NZ-OD1 2.82Å; T595-D598 HydrophobicContact CG2-CB 4.48Å; D598-T600 PolarHBondContact O-N 3.33Å; D598-T600 VanDerWaalsContact O-N 3.16Å; D598-M610 WeakPolarHBondContact O-CE 3.31Å; D598-M614 HydrophobicContact CB-CE 4.32Å
599	S	47.8	Very low	70.3	Confident	53 Å²	53	54.8 Å²	54.8	37%	0.371	29%	0.285	S	S	.	.			trans	-74	110.8	172.6	60.8	0	0	0	0	110.2	T597 T607	T597-S599 PolarHBondContact O-N 3.21Å; S599-T607 WeakPolarHBondContact OG-CG2 3.15Å
600	T	48.7	Very low	69.8	Low	49 Å²	49	54.4 Å²	54.4	30%	0.301	28%	0.283	S	S	.	.			trans	-72.7	144.9	153.7	66.7	0	0	0	0	107.8	D598 R602 D603	D598-T600 PolarHBondContact O-N 3.33Å; D598-T600 VanDerWaalsContact O-N 3.16Å; T600-R602 PolarHBondContact O-N 3.28Å; T600-D603 PolarHBondContact O-N 3.24Å; T600-D603 PolarHBondContact OG1-OD2 2.82Å
601	E	45.3	Very low	69.4	Low	201 Å²	201	54.4 Å²	54.4	94%	0.939	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-15.3	174.2	-67	176.9	165.2	0	0	113.2
602	R	46.8	Very low	69	Low	216 Å²	216	56.8 Å²	56.8	82%	0.815	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-18.7	178.4	-70.5	-177.1	176.9	-179.1	-0.8	114.3	T600 N604	T600-R602 PolarHBondContact O-N 3.28Å; R602-N604 PolarHBondContact O-N 2.97Å
603	D	50.9	Low	68.6	Low	36 Å²	36	57.6 Å²	57.6	19%	0.193	30%	0.299	C	S	.	.	S	Bend	trans	-87.9	104.8	175.5	-60.5	-43.6	0	0	0	106.7	N159 T600 C605 M610	N159-D603 PolarHBondContact OD1-OD1 3.39Å; T600-D603 PolarHBondContact O-N 3.24Å; T600-D603 PolarHBondContact OG1-OD2 2.82Å; D603-C605 PolarHBondContact O-N 2.94Å; D603-M610 HydrophobicContact CB-CE 4.35Å; D603-M610 HydrophobicContact CB-SD 4.09Å
604	N	50.7	Low	68.4	Low	168 Å²	168	58 Å²	58	90%	0.898	30%	0.301	S	S	*	.			trans	-63.4	26.7	179.4	-75.1	-15.4	0	0	0	114.1	R602	R602-N604 PolarHBondContact O-N 2.97Å
605	C	58.4	Low	68.4	Low	61 Å²	61	57.9 Å²	57.9	41%	0.412	30%	0.301	S	S	.	.	S	Bend	trans	-116.2	146.6	-178.3	-65.2	0	0	0	0	110.7	D603 M610	D603-C605 PolarHBondContact O-N 2.94Å; C605-M610 HydrophobicContact CB-CG 3.85Å; C605-M610 HydrophobicContact CB-SD 4.45Å
606	S	72.3	Confident	68.6	Low	66 Å²	66	59 Å²	59	46%	0.462	31%	0.309	S	S	.	.			trans	-65.5	146.7	170.6	64.5	0	0	0	0	110.4	Y608 M609 M610	S606-Y608 PolarHBondContact O-N 2.8Å; S606-Y608 VanDerWaalsContact O-N 3.13Å; S606-M609 PolarHBondContact O-N 2.97Å; S606-M609 WeakPolarHBondContact OG-CB 3.47Å; S606-M609 PolarHBondContact OG-N 2.76Å; S606-M609 VanDerWaalsContact OG-N 3.13Å; S606-M610 PolarHBondContact O-N 2.86Å
607	T	75.6	Confident	69.5	Low	38 Å²	38	59.2 Å²	59.2	23%	0.233	31%	0.31	C	S	.	.	H	α-helix	trans	-49.8	-37.2	171.6	47.7	0	0	0	0	112.1	G596 S599 A611	G596-T607 WeakPolarHBondContact O-CB 3.25Å; S599-T607 WeakPolarHBondContact OG-CG2 3.15Å; T607-A611 WeakPolarHBondContact O-CB 3.37Å; T607-A611 PolarHBondContact O-N 2.8Å; T607-A611 VanDerWaalsContact O-N 3.08Å
608	Y	80.2	Confident	70.8	Confident	56 Å²	56	55.5 Å²	55.5	22%	0.22	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-46.7	174.6	-176	-102	0	0	0	113	S606 A611 L612 A634 L642 L645	S606-Y608 PolarHBondContact O-N 2.8Å; S606-Y608 VanDerWaalsContact O-N 3.13Å; Y608-A611 PolarHBondContact O-N 2.79Å; Y608-L612 HydrophobicContact CD1-CD1 3.91Å; Y608-L612 HydrophobicContact CE1-CD1 3.33Å; Y608-L612 HydrophobicContact CE1-CG 4.18Å; Y608-L612 WeakPolarHBondContact O-CG 3.33Å; Y608-L612 PolarHBondContact O-N 2.93Å; Y608-A634 HydrophobicContact CD2-CB 3.65Å; Y608-A634 HydrophobicContact CE2-CB 4.13Å; Y608-L642 HydrophobicContact CE2-CD1 4.37Å; Y608-L645 WeakPolarHBondContact OH-CD1 3.28Å
609	M	78.9	Confident	72.6	Confident	67 Å²	67	55.8 Å²	55.8	33%	0.33	29%	0.288	S	S	.	.	H	α-helix	trans	-66	-40.9	179.5	-173.4	62.5	69.9	0	0	111.7	T150 S606 L612 Q613	T150-M609 HydrophobicContact CG2-CE 4Å; T150-M609 HydrophobicContact CG2-SD 3.95Å; S606-M609 PolarHBondContact O-N 2.97Å; S606-M609 WeakPolarHBondContact OG-CB 3.47Å; S606-M609 PolarHBondContact OG-N 2.76Å; S606-M609 VanDerWaalsContact OG-N 3.13Å; M609-L612 PolarHBondContact O-N 3.43Å; M609-Q613 WeakPolarHBondContact O-CB 3.42Å; M609-Q613 PolarHBondContact O-N 3.4Å
610	M	79.8	Confident	74.4	Confident	12 Å²	12	55.4 Å²	55.4	6%	0.059	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-45.7	176.6	-68.3	177.6	70.5	0	0	111.4	D598 D603 C605 S606 L612 Q613 M614	D598-M610 WeakPolarHBondContact O-CE 3.31Å; D603-M610 HydrophobicContact CB-CE 4.35Å; D603-M610 HydrophobicContact CB-SD 4.09Å; C605-M610 HydrophobicContact CB-CG 3.85Å; C605-M610 HydrophobicContact CB-SD 4.45Å; S606-M610 PolarHBondContact O-N 2.86Å; M610-L612 VanDerWaalsContact C-N 3.34Å; M610-L612 PolarHBondContact O-N 3.25Å; M610-Q613 WeakPolarHBondContact O-CB 3.43Å; M610-Q613 PolarHBondContact O-N 3.31Å; M610-Q613 VanDerWaalsContact O-N 3.16Å; M610-M614 WeakPolarHBondContact O-CG 2.98Å; M610-M614 PolarHBondContact O-N 2.88Å
611	A	84.2	Confident	76.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-43.5	176.1	0	0	0	0	0	112.4	T607 Y608 M614 A615 F633 A634	T607-A611 WeakPolarHBondContact O-CB 3.37Å; T607-A611 PolarHBondContact O-N 2.8Å; T607-A611 VanDerWaalsContact O-N 3.08Å; Y608-A611 PolarHBondContact O-N 2.79Å; A611-M614 PolarHBondContact O-N 2.81Å; A611-A615 PolarHBondContact O-N 3.05Å; A611-F633 WeakPolarHBondContact CB-O 3.48Å; A611-A634 HydrophobicContact CB-CB 3.76Å
612	L	86	Confident	78.2	Confident	51 Å²	51	45.3 Å²	45.3	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-64.6	-38.4	175.3	-72.6	-179.3	0	0	0	112.4	Y608 M609 M610 A615 S616 F633	Y608-L612 HydrophobicContact CD1-CD1 3.91Å; Y608-L612 HydrophobicContact CE1-CD1 3.33Å; Y608-L612 HydrophobicContact CE1-CG 4.18Å; Y608-L612 WeakPolarHBondContact O-CG 3.33Å; Y608-L612 PolarHBondContact O-N 2.93Å; M609-L612 PolarHBondContact O-N 3.43Å; M610-L612 VanDerWaalsContact C-N 3.34Å; M610-L612 PolarHBondContact O-N 3.25Å; L612-A615 WeakPolarHBondContact O-CB 3.33Å; L612-A615 PolarHBondContact O-N 3.35Å; L612-S616 WeakPolarHBondContact O-CB 3.49Å; L612-S616 PolarHBondContact O-N 3.39Å; L612-F633 HydrophobicContact CD2-CE1 4.06Å; L612-F633 HydrophobicContact CD2-CZ 4.07Å
613	Q	84.7	Confident	80.3	Confident	23 Å²	23	37.2 Å²	37.2	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-64.2	-43	175.1	174.9	169.8	7.8	0	0	111.8	K153 F156 M609 M610 A615 S616 V617	K153-Q613 PolarHBondContact O-NE2 2.89Å; F156-Q613 PolarHBondContact O-NE2 3.4Å; M609-Q613 WeakPolarHBondContact O-CB 3.42Å; M609-Q613 PolarHBondContact O-N 3.4Å; M610-Q613 WeakPolarHBondContact O-CB 3.43Å; M610-Q613 PolarHBondContact O-N 3.31Å; M610-Q613 VanDerWaalsContact O-N 3.16Å; Q613-A615 VanDerWaalsContact C-N 3.31Å; Q613-A615 PolarHBondContact O-N 3.25Å; Q613-S616 VanDerWaalsContact O-CB 3.3Å; Q613-S616 WeakPolarHBondContact O-CB 3.24Å; Q613-S616 PolarHBondContact O-N 3.31Å; Q613-V617 WeakPolarHBondContact O-CG2 3.28Å; Q613-V617 PolarHBondContact O-N 2.83Å
614	M	87.6	Confident	82	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-43.8	174	-64.8	171.7	-174.3	0	0	110.9	S209 L594 D598 M610 A611 S616 V617 A618	S209-M614 WeakPolarHBondContact OG-CE 3.36Å; L594-M614 VanDerWaalsContact CD2-C 3.42Å; L594-M614 HydrophobicContact CD2-CB 3.49Å; L594-M614 VanDerWaalsContact CD2-CB 3.49Å; D598-M614 HydrophobicContact CB-CE 4.32Å; M610-M614 WeakPolarHBondContact O-CG 2.98Å; M610-M614 PolarHBondContact O-N 2.88Å; A611-M614 PolarHBondContact O-N 2.81Å; M614-S616 PolarHBondContact O-N 3.19Å; M614-V617 PolarHBondContact O-N 2.7Å; M614-A618 WeakPolarHBondContact O-CB 3.4Å; M614-A618 PolarHBondContact O-N 3.48Å
615	A	89.8	Confident	83.9	Confident	4 Å²	4	31.5 Å²	31.5	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-44.9	176.7	0	0	0	0	0	111.6	L594 A611 L612 Q613 V617 A618 L619 F633 M649	L594-A615 HydrophobicContact CD1-CB 4.17Å; A611-A615 PolarHBondContact O-N 3.05Å; L612-A615 WeakPolarHBondContact O-CB 3.33Å; L612-A615 PolarHBondContact O-N 3.35Å; Q613-A615 VanDerWaalsContact C-N 3.31Å; Q613-A615 PolarHBondContact O-N 3.25Å; A615-V617 VanDerWaalsContact C-N 3.32Å; A615-V617 PolarHBondContact O-N 3.14Å; A615-A618 PolarHBondContact O-N 3.45Å; A615-L619 VanDerWaalsContact O-CB 3.3Å; A615-L619 WeakPolarHBondContact O-CB 3.45Å; A615-L619 WeakPolarHBondContact O-CG 3.38Å; A615-L619 PolarHBondContact O-N 2.84Å; A615-F633 HydrophobicContact CB-CE2 3.62Å; A615-F633 HydrophobicContact CB-CZ 3.57Å; A615-M649 HydrophobicContact CB-SD 4.21Å
616	S	88.3	Confident	85.6	Confident	28 Å²	28	28.6 Å²	28.6	20%	0.196	15%	0.152	C	C	.	.	H	α-helix	trans	-54.7	-48.2	178.3	-166	0	0	0	0	110.9	S154 L612 Q613 M614 R620	S154-S616 PolarHBondContact O-OG 2.95Å; L612-S616 WeakPolarHBondContact O-CB 3.49Å; L612-S616 PolarHBondContact O-N 3.39Å; Q613-S616 VanDerWaalsContact O-CB 3.3Å; Q613-S616 WeakPolarHBondContact O-CB 3.24Å; Q613-S616 PolarHBondContact O-N 3.31Å; M614-S616 PolarHBondContact O-N 3.19Å; S616-R620 VanDerWaalsContact C-CZ 3.5Å; S616-R620 PolarHBondContact O-N 2.78Å; S616-R620 PolarHBondContact O-NH1 2.77Å; S616-R620 PolarHBondContact O-NH2 2.76Å; S616-R620 PolarHBondContact OG-NH1 3.16Å; S616-R620 PolarHBondContact OG-NH2 3.32Å
617	V	87.7	Confident	86.6	Confident	6 Å²	6	25.5 Å²	25.5	4%	0.036	13%	0.13	C	C	.	.	H	α-helix	trans	-67.3	-44.1	177.9	171	0	0	0	0	112	F156 P157 Q613 M614 A615 N621	F156-V617 VanDerWaalsContact C-CG2 3.46Å; P157-V617 HydrophobicContact CG-CG1 4.17Å; Q613-V617 WeakPolarHBondContact O-CG2 3.28Å; Q613-V617 PolarHBondContact O-N 2.83Å; M614-V617 PolarHBondContact O-N 2.7Å; A615-V617 VanDerWaalsContact C-N 3.32Å; A615-V617 PolarHBondContact O-N 3.14Å; V617-N621 PolarHBondContact O-N 3.18Å; V617-N621 PolarHBondContact O-ND2 3.29Å
618	A	90	Very high	87.6	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.8	-49.4	179.5	0	0	0	0	0	111.4	H592 L594 M614 A615 R620 N621 L622	H592-A618 HydrophobicContact CB-CB 3.74Å; H592-A618 VanDerWaalsContact CG-CB 3.48Å; L594-A618 HydrophobicContact CD2-CB 4.36Å; M614-A618 WeakPolarHBondContact O-CB 3.4Å; M614-A618 PolarHBondContact O-N 3.48Å; A615-A618 PolarHBondContact O-N 3.45Å; A618-R620 VanDerWaalsContact C-N 3.3Å; A618-R620 PolarHBondContact O-N 2.9Å; A618-N621 PolarHBondContact O-N 2.66Å; A618-L622 WeakPolarHBondContact O-CD2 3.1Å; A618-L622 VanDerWaalsContact O-CG 3.29Å; A618-L622 WeakPolarHBondContact O-CG 3.39Å; A618-L622 PolarHBondContact O-N 3Å
619	L	90.6	Very high	88.3	Confident	26 Å²	26	21.1 Å²	21.1	14%	0.136	11%	0.109	C	C	.	.	H	α-helix	trans	-66.8	-27.9	-175.5	-67.5	177.3	0	0	0	113.5	M10 A615 L622 M649 F652 L653	M10-L619 HydrophobicContact CE-CB 4.43Å; A615-L619 VanDerWaalsContact O-CB 3.3Å; A615-L619 WeakPolarHBondContact O-CB 3.45Å; A615-L619 WeakPolarHBondContact O-CG 3.38Å; A615-L619 PolarHBondContact O-N 2.84Å; L619-L622 HydrophobicContact CB-CD1 4.43Å; L619-L622 HydrophobicContact CD2-CD1 3.89Å; L619-L622 VanDerWaalsContact O-CD1 3.31Å; L619-L622 WeakPolarHBondContact O-CD1 3.46Å; L619-L622 WeakPolarHBondContact O-CG 3.29Å; L619-M649 HydrophobicContact CD1-CG 4.08Å; L619-M649 HydrophobicContact CD1-SD 4.13Å; L619-F652 HydrophobicContact CD2-CD1 4.18Å; L619-F652 HydrophobicContact CD2-CE1 4.35Å; L619-L653 HydrophobicContact CD2-CD2 3.71Å; L619-L653 HydrophobicContact CD2-CG 4.34Å
620	R	86.1	Confident	88.9	Confident	45 Å²	45	18 Å²	18	17%	0.17	9%	0.094	C	C	.	.	H	α-helix	trans	-73.4	-35.1	174.2	-82.6	-169.5	-67.1	-77.3	-8.2	113.4	S154 L155 S616 A618	S154-R620 PolarHBondContact O-NH2 3.41Å; L155-R620 VanDerWaalsContact C-NH2 3.26Å; L155-R620 PolarHBondContact O-NH2 3.33Å; S616-R620 VanDerWaalsContact C-CZ 3.5Å; S616-R620 PolarHBondContact O-N 2.78Å; S616-R620 PolarHBondContact O-NH1 2.77Å; S616-R620 PolarHBondContact O-NH2 2.76Å; S616-R620 PolarHBondContact OG-NH1 3.16Å; S616-R620 PolarHBondContact OG-NH2 3.32Å; A618-R620 VanDerWaalsContact C-N 3.3Å; A618-R620 PolarHBondContact O-N 2.9Å
621	N	86	Confident	89.4	Confident	16 Å²	16	18 Å²	18	9%	0.086	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	24.4	-172.3	-61.3	-57.7	0	0	0	113.4	L197 V617 A618	L197-N621 HydrophobicContact CB-CB 4.33Å; L197-N621 WeakPolarHBondContact CB-OD1 3.43Å; L197-N621 PolarHBondContact N-OD1 3.02Å; V617-N621 PolarHBondContact O-N 3.18Å; V617-N621 PolarHBondContact O-ND2 3.29Å; A618-N621 PolarHBondContact O-N 2.66Å
622	L	88.8	Confident	89.2	Confident	23 Å²	23	21 Å²	21	12%	0.12	11%	0.108	C	C	.	.			trans	-68.6	135.4	-176	-69.7	173	0	0	0	113.3	A618 L619 T626 I628 F652 L653 K656 P660	A618-L622 WeakPolarHBondContact O-CD2 3.1Å; A618-L622 VanDerWaalsContact O-CG 3.29Å; A618-L622 WeakPolarHBondContact O-CG 3.39Å; A618-L622 PolarHBondContact O-N 3Å; L619-L622 HydrophobicContact CB-CD1 4.43Å; L619-L622 HydrophobicContact CD2-CD1 3.89Å; L619-L622 VanDerWaalsContact O-CD1 3.31Å; L619-L622 WeakPolarHBondContact O-CD1 3.46Å; L619-L622 WeakPolarHBondContact O-CG 3.29Å; L622-T626 HydrophobicContact CD2-CG2 4.3Å; L622-I628 HydrophobicContact CD2-CD1 3.48Å; L622-I628 VanDerWaalsContact CD2-CD1 3.48Å; L622-F652 HydrophobicContact CD1-CE1 4.09Å; L622-L653 HydrophobicContact CD1-CD2 3.33Å; L622-L653 HydrophobicContact CD2-CD2 4.12Å; L622-L653 HydrophobicContact CG-CD2 4.37Å; L622-K656 HydrophobicContact CD1-CD 4.25Å; L622-P660 HydrophobicContact CD2-CB 4.4Å; L622-P660 HydrophobicContact CD2-CG 4.02Å
623	T	89	Confident	88.8	Confident	46 Å²	46	19 Å²	19	28%	0.282	10%	0.097	S	C	.	.			trans	-130.3	174	162.7	76.4	0	0	0	0	110.9	D589 K625 T626 P660	D589-T623 PolarHBondContact OD1-OG1 3.44Å; D589-T623 WeakPolarHBondContact OD2-CB 3.24Å; D589-T623 WeakPolarHBondContact OD2-CG2 3.28Å; D589-T623 PolarHBondContact OD2-OG1 3.37Å; T623-K625 PolarHBondContact O-N 3.35Å; T623-K625 PolarHBondContact OG1-N 2.91Å; T623-K625 VanDerWaalsContact OG1-N 3.14Å; T623-T626 PolarHBondContact N-OG1 2.88Å; T623-T626 PolarHBondContact O-N 3.42Å; T623-T626 PolarHBondContact O-OG1 2.95Å; T623-T626 PolarHBondContact OG1-OG1 3.38Å; T623-P660 WeakPolarHBondContact O-CB 3.46Å
624	S	87.9	Confident	88.4	Confident	18 Å²	18	18.2 Å²	18.2	13%	0.126	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.8	171.7	38.8	0	0	0	0	113.9	E658	S624-E658 VanDerWaalsContact CB-OE2 3.24Å; S624-E658 WeakPolarHBondContact CB-OE2 3.4Å; S624-E658 PolarHBondContact OG-OE2 3.18Å
625	K	90.6	Very high	87.8	Confident	65 Å²	65	23.6 Å²	23.6	28%	0.283	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	15.5	-177.6	-71.6	-175.4	170.3	-169.3	0	112.6	T587 F588 D589 T623	T587-K625 VanDerWaalsContact O-CD 3.3Å; T587-K625 WeakPolarHBondContact O-CD 3.35Å; T587-K625 WeakPolarHBondContact O-CG 3.45Å; T587-K625 PolarHBondContact OG1-NZ 3.12Å; F588-K625 CarbonylContact C-O 3.58Å; F588-K625 WeakPolarHBondContact CA-O 3.41Å; F588-K625 VanDerWaalsContact CB-O 3.29Å; F588-K625 WeakPolarHBondContact CB-O 3.38Å; F588-K625 WeakPolarHBondContact CD1-O 3.3Å; F588-K625 WeakPolarHBondContact CG-O 3.21Å; D589-K625 PolarHBondContact N-O 2.76Å; T623-K625 PolarHBondContact O-N 3.35Å; T623-K625 PolarHBondContact OG1-N 2.91Å; T623-K625 VanDerWaalsContact OG1-N 3.14Å
626	T	92.8	Very high	86.8	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.1	174.4	-56.8	0	0	0	0	110.9	D589 A590 L622 T623 I628 P660 Y661	D589-T626 WeakPolarHBondContact OD1-CA 3.5Å; D589-T626 PolarHBondContact OD1-N 3.03Å; D589-T626 PolarHBondContact OD1-OG1 3.41Å; A590-T626 HydrophobicContact CB-CG2 4.03Å; L622-T626 HydrophobicContact CD2-CG2 4.3Å; T623-T626 PolarHBondContact N-OG1 2.88Å; T623-T626 PolarHBondContact O-N 3.42Å; T623-T626 PolarHBondContact O-OG1 2.95Å; T623-T626 PolarHBondContact OG1-OG1 3.38Å; T626-I628 HydrophobicContact CG2-CG1 4.13Å; T626-P660 WeakPolarHBondContact O-CB 3.46Å; T626-Y661 PolarHBondContact O-N 3.16Å
627	L	95	Very high	85.7	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.6	171	175.1	62.6	0	0	0	110.1	I516 A566 T569 F588 A590 I591 H592 Y661 I663	I516-L627 HydrophobicContact CD1-CD1 4.04Å; A566-L627 HydrophobicContact CB-CD2 4.28Å; T569-L627 HydrophobicContact CG2-CD2 4.41Å; F588-L627 HydrophobicContact CD1-CB 3.76Å; F588-L627 HydrophobicContact CE1-CB 3.88Å; A590-L627 PolarHBondContact O-N 2.63Å; I591-L627 CarbonylContact C-O 3.6Å; I591-L627 WeakPolarHBondContact CA-O 3.33Å; I591-L627 HydrophobicContact CD1-CD2 4.48Å; I591-L627 HydrophobicContact CG1-CB 4.35Å; I591-L627 HydrophobicContact CG1-CD2 4.39Å; I591-L627 HydrophobicContact CG2-CD2 4.39Å; H592-L627 PolarHBondContact N-O 2.89Å; L627-Y661 CarbonylContact C-O 3.45Å; L627-Y661 WeakPolarHBondContact CA-O 3.33Å; L627-I663 HydrophobicContact CD1-CD1 4.48Å
628	I	95	Very high	85.2	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.3	176.7	-61.6	172.8	0	0	0	109.4	H592 L594 L622 T626 M630 L653 P660 Y661 T662 I663	H592-I628 HydrophobicContact CB-CG1 4.35Å; H592-I628 CarbonylContact O-C 3.59Å; H592-I628 WeakPolarHBondContact O-CA 3.19Å; L594-I628 HydrophobicContact CD1-CG2 3.91Å; L594-I628 HydrophobicContact CG-CG2 4.27Å; L622-I628 HydrophobicContact CD2-CD1 3.48Å; L622-I628 VanDerWaalsContact CD2-CD1 3.48Å; T626-I628 HydrophobicContact CG2-CG1 4.13Å; I628-M630 HydrophobicContact CG2-CG 4Å; I628-L653 HydrophobicContact CD1-CD1 4.11Å; I628-L653 HydrophobicContact CD1-CD2 4.49Å; I628-P660 HydrophobicContact CD1-CG 4.37Å; I628-Y661 PolarHBondContact N-O 3.47Å; I628-T662 HydrophobicContact CB-CG2 4.07Å; I628-T662 HydrophobicContact CG2-CG2 4.1Å; I628-T662 CarbonylContact O-C 3.58Å; I628-T662 VanDerWaalsContact O-CA 3.31Å; I628-T662 WeakPolarHBondContact O-CA 3.29Å; I628-I663 PolarHBondContact O-N 2.98Å
629	I	94.9	Very high	84.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122	169.2	-64.9	-176.2	0	0	0	108.6	M562 A566 H592 I593 L594 I663	M562-I629 HydrophobicContact CB-CD1 4.32Å; M562-I629 HydrophobicContact CB-CG2 3.95Å; M562-I629 HydrophobicContact CG-CG2 4.34Å; M562-I629 WeakPolarHBondContact O-CD1 3.39Å; M562-I629 HydrophobicContact SD-CG2 3.79Å; A566-I629 HydrophobicContact CB-CD1 3.25Å; A566-I629 HydrophobicContact CB-CG1 4.5Å; H592-I629 PolarHBondContact O-N 3.44Å; I593-I629 CarbonylContact C-O 3.59Å; I593-I629 WeakPolarHBondContact CA-O 3.43Å; I593-I629 HydrophobicContact CG1-CB 4.42Å; L594-I629 PolarHBondContact N-O 3.24Å; I629-I663 WeakPolarHBondContact CA-O 3.39Å
630	M	92.5	Very high	84.2	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	99.1	172.8	-63.3	176.4	74.5	0	0	108.7	L594 I628 F633 T646 M649 T662 I663 I664 A665	L594-M630 HydrophobicContact CB-CG 4.18Å; L594-M630 HydrophobicContact CD1-CG 3.87Å; L594-M630 HydrophobicContact CD1-SD 4.48Å; L594-M630 HydrophobicContact CG-CG 4.36Å; L594-M630 WeakPolarHBondContact O-CA 3.16Å; I628-M630 HydrophobicContact CG2-CG 4Å; M630-F633 HydrophobicContact CE-CB 3.83Å; M630-F633 HydrophobicContact CE-CD1 4.25Å; M630-F633 HydrophobicContact CE-CD2 3.63Å; M630-F633 HydrophobicContact CE-CE2 4.31Å; M630-F633 HydrophobicContact CE-CG 3.61Å; M630-T646 HydrophobicContact CE-CG2 3.94Å; M630-M649 HydrophobicContact CE-CE 3.57Å; M630-T662 HydrophobicContact SD-CG2 4.4Å; M630-I663 PolarHBondContact N-O 3.33Å; M630-I664 HydrophobicContact CB-CB 4.39Å; M630-I664 HydrophobicContact CB-CG1 4.26Å; M630-I664 HydrophobicContact CB-CG2 4.23Å; M630-I664 HydrophobicContact CG-CG1 4.41Å; M630-I664 HydrophobicContact SD-CD1 3.96Å; M630-I664 HydrophobicContact SD-CG1 3.82Å; M630-A665 PolarHBondContact O-N 2.9Å
631	D	89.5	Confident	84	Confident	10 Å²	10	47 Å²	47	5%	0.053	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	99.4	177.6	-170.3	8.4	0	0	0	109.7	Y213 S559 M562 L594 T595 F633	Y213-D631 HydrophobicContact CE2-CB 4.2Å; Y213-D631 PolarHBondContact OH-OD2 3.47Å; S559-D631 VanDerWaalsContact CB-OD2 3.24Å; S559-D631 WeakPolarHBondContact CB-OD2 3.44Å; S559-D631 PolarHBondContact OG-OD1 3Å; S559-D631 PolarHBondContact OG-OD2 2.86Å; M562-D631 HydrophobicContact CE-CB 3.51Å; M562-D631 VanDerWaalsContact CE-OD1 3.31Å; M562-D631 WeakPolarHBondContact CE-OD1 3.48Å; M562-D631 HydrophobicContact SD-CB 4.43Å; L594-D631 PolarHBondContact O-N 3.34Å; T595-D631 WeakPolarHBondContact CA-O 3.3Å; T595-D631 PolarHBondContact OG1-O 3.28Å; D631-F633 VanDerWaalsContact C-N 3.29Å; D631-F633 PolarHBondContact O-N 3.36Å
632	E	81.2	Confident	83.9	Confident	63 Å²	63	47.3 Å²	47.3	29%	0.294	24%	0.243	S	C	.	.	S	Bend	trans	48.6	55.6	-173.7	-60.3	-170.1	165.7	0	0	110.9	G596 A634	G596-E632 PolarHBondContact N-O 3.17Å; E632-A634 WeakPolarHBondContact O-CA 3.25Å; E632-A634 PolarHBondContact O-N 3.35Å
633	F	76.6	Confident	83.6	Confident	9 Å²	9	47 Å²	47	4%	0.039	24%	0.241	C	C	.	.			trans	-23.8	-51.4	-168	175.4	-117.4	0	0	0	115.8	L594 T595 G596 A611 L612 A615 M630 D631 L642 M649	L594-F633 HydrophobicContact CB-CD2 3.6Å; L594-F633 HydrophobicContact CB-CE2 3.85Å; L594-F633 HydrophobicContact CD1-CD2 4.14Å; L594-F633 HydrophobicContact CD1-CE2 3.89Å; L594-F633 HydrophobicContact CG-CD2 4.48Å; L594-F633 HydrophobicContact CG-CE2 4.38Å; T595-F633 CarbonylContact C-O 3.58Å; G596-F633 PolarHBondContact N-O 2.8Å; A611-F633 WeakPolarHBondContact CB-O 3.48Å; L612-F633 HydrophobicContact CD2-CE1 4.06Å; L612-F633 HydrophobicContact CD2-CZ 4.07Å; A615-F633 HydrophobicContact CB-CE2 3.62Å; A615-F633 HydrophobicContact CB-CZ 3.57Å; M630-F633 HydrophobicContact CE-CB 3.83Å; M630-F633 HydrophobicContact CE-CD1 4.25Å; M630-F633 HydrophobicContact CE-CD2 3.63Å; M630-F633 HydrophobicContact CE-CE2 4.31Å; M630-F633 HydrophobicContact CE-CG 3.61Å; D631-F633 VanDerWaalsContact C-N 3.29Å; D631-F633 PolarHBondContact O-N 3.36Å; F633-L642 HydrophobicContact CD1-CD1 3.73Å; F633-L642 HydrophobicContact CE1-CD1 4.32Å; F633-M649 HydrophobicContact CD1-CE 3.64Å; F633-M649 HydrophobicContact CD2-CE 4.41Å; F633-M649 HydrophobicContact CE1-CE 3.32Å; F633-M649 HydrophobicContact CE1-SD 4.23Å; F633-M649 HydrophobicContact CE2-CE 4.14Å; F633-M649 HydrophobicContact CE2-SD 4.46Å; F633-M649 HydrophobicContact CG-CE 4.2Å; F633-M649 HydrophobicContact CZ-CE 3.6Å; F633-M649 HydrophobicContact CZ-SD 3.95Å
634	A	76.7	Confident	83.5	Confident	7 Å²	7	47.2 Å²	47.2	6%	0.058	25%	0.248	C	C	.	.			trans	-146.5	166.9	170.2	0	0	0	0	0	112.1	Y608 A611 E632 L642	Y608-A634 HydrophobicContact CD2-CB 3.65Å; Y608-A634 HydrophobicContact CE2-CB 4.13Å; A611-A634 HydrophobicContact CB-CB 3.76Å; E632-A634 WeakPolarHBondContact O-CA 3.25Å; E632-A634 PolarHBondContact O-N 3.35Å; A634-L642 HydrophobicContact CB-CD1 3.75Å; A634-L642 WeakPolarHBondContact O-CD2 3.45Å
635	K	74.3	Confident	83.5	Confident	124 Å²	124	47.6 Å²	47.6	54%	0.539	25%	0.248	S	C	.	.			trans	-103.5	110.9	166.1	-68.5	-179.3	-178.9	175.6	0	108.6
636	S	69	Low	83.5	Confident	34 Å²	34	45 Å²	45	24%	0.238	24%	0.238	C	C	.	.			trans	-118.1	150.3	177	178.5	0	0	0	0	110.8	N638	S636-N638 VanDerWaalsContact C-N 3.29Å; S636-N638 PolarHBondContact OG-N 3Å; S636-N638 VanDerWaalsContact OG-N 3.1Å; S636-N638 PolarHBondContact OG-O 3.4Å
637	V	66.3	Low	83.3	Confident	157 Å²	157	46.1 Å²	46.1	95%	0.952	24%	0.244	S	C	*	.	S	Bend	trans	-64.9	-37.8	169	-176.2	0	0	0	0	110.2
638	N	76.5	Confident	83.1	Confident	62 Å²	62	47 Å²	47	33%	0.332	25%	0.251	S	S	.	.			trans	-99	95.2	177.1	-167.2	-8.1	0	0	0	110.9	S636 L640 E641 L642	S636-N638 VanDerWaalsContact C-N 3.29Å; S636-N638 PolarHBondContact OG-N 3Å; S636-N638 VanDerWaalsContact OG-N 3.1Å; S636-N638 PolarHBondContact OG-O 3.4Å; N638-L640 VanDerWaalsContact C-N 3.29Å; N638-L640 PolarHBondContact O-N 2.97Å; N638-L640 PolarHBondContact OD1-N 3.13Å; N638-E641 HydrophobicContact CB-CB 4.34Å; N638-E641 HydrophobicContact CB-CG 4.45Å; N638-E641 WeakPolarHBondContact ND2-CG 3.35Å; N638-E641 PolarHBondContact ND2-OE1 3.47Å; N638-E641 PolarHBondContact O-N 3.46Å; N638-L642 PolarHBondContact O-N 3.36Å
639	K	77.4	Confident	82.9	Confident	134 Å²	134	47.8 Å²	47.8	58%	0.583	26%	0.255	S	S	*	.	H	α-helix	trans	-60.3	-36.9	179.5	-65.9	-175.6	179.6	-175.2	0	112.7	E641 L642 D643	K639-E641 PolarHBondContact O-N 2.95Å; K639-L642 WeakPolarHBondContact O-CB 3.44Å; K639-L642 PolarHBondContact O-N 2.91Å; K639-D643 PolarHBondContact O-N 2.69Å
640	L	81.2	Confident	82.7	Confident	102 Å²	102	47.8 Å²	47.8	53%	0.534	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-40.7	-177.1	-66.6	174.3	0	0	0	112.5	N638 L642 D643 A644 K670	N638-L640 VanDerWaalsContact C-N 3.29Å; N638-L640 PolarHBondContact O-N 2.97Å; N638-L640 PolarHBondContact OD1-N 3.13Å; L640-L642 VanDerWaalsContact C-N 3.34Å; L640-D643 PolarHBondContact O-N 3.31Å; L640-A644 WeakPolarHBondContact O-CB 3.41Å; L640-A644 PolarHBondContact O-N 2.83Å; L640-K670 HydrophobicContact CD2-CD 4.47Å
641	E	82.6	Confident	82.7	Confident	112 Å²	112	49.8 Å²	49.8	52%	0.523	26%	0.264	S	S	.	.	H	α-helix	trans	-66.1	-39.4	175.8	-78.7	171.7	-166.4	0	0	111.6	N638 K639 A644 L645	N638-E641 HydrophobicContact CB-CB 4.34Å; N638-E641 HydrophobicContact CB-CG 4.45Å; N638-E641 WeakPolarHBondContact ND2-CG 3.35Å; N638-E641 PolarHBondContact ND2-OE1 3.47Å; N638-E641 PolarHBondContact O-N 3.46Å; K639-E641 PolarHBondContact O-N 2.95Å; E641-A644 PolarHBondContact O-N 3.2Å; E641-L645 WeakPolarHBondContact O-CB 3.39Å; E641-L645 WeakPolarHBondContact O-CG 3.47Å; E641-L645 PolarHBondContact O-N 3.29Å
642	L	83.5	Confident	82.7	Confident	22 Å²	22	49.9 Å²	49.9	12%	0.115	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-42	175.8	178.8	65.6	0	0	0	112	Y608 F633 A634 N638 K639 L640 L645 T646	Y608-L642 HydrophobicContact CE2-CD1 4.37Å; F633-L642 HydrophobicContact CD1-CD1 3.73Å; F633-L642 HydrophobicContact CE1-CD1 4.32Å; A634-L642 HydrophobicContact CB-CD1 3.75Å; A634-L642 WeakPolarHBondContact O-CD2 3.45Å; N638-L642 PolarHBondContact O-N 3.36Å; K639-L642 WeakPolarHBondContact O-CB 3.44Å; K639-L642 PolarHBondContact O-N 2.91Å; L640-L642 VanDerWaalsContact C-N 3.34Å; L642-L645 WeakPolarHBondContact O-CB 3.48Å; L642-L645 PolarHBondContact O-N 3.21Å; L642-T646 WeakPolarHBondContact O-CB 3.36Å; L642-T646 PolarHBondContact O-N 3.29Å; L642-T646 PolarHBondContact O-OG1 3.02Å
643	D	84.2	Confident	83.2	Confident	15 Å²	15	47 Å²	47	8%	0.08	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-45.7	175	-58.6	-45.4	0	0	0	110.6	K639 L640 L645 T646 I647 N668 I671	K639-D643 PolarHBondContact O-N 2.69Å; L640-D643 PolarHBondContact O-N 3.31Å; D643-L645 VanDerWaalsContact C-N 3.34Å; D643-L645 PolarHBondContact O-N 3.39Å; D643-T646 PolarHBondContact O-N 2.85Å; D643-T646 VanDerWaalsContact O-N 3.16Å; D643-I647 VanDerWaalsContact O-CG1 3.28Å; D643-I647 WeakPolarHBondContact O-CG1 3.36Å; D643-I647 PolarHBondContact O-N 3.25Å; D643-N668 PolarHBondContact OD1-ND2 3.1Å; D643-N668 PolarHBondContact OD2-ND2 3.39Å; D643-I671 HydrophobicContact CB-CD1 4.25Å; D643-I671 HydrophobicContact CB-CG1 4.1Å
644	A	86.6	Confident	83.8	Confident	51 Å²	51	47 Å²	47	42%	0.421	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-41.2	178	0	0	0	0	0	111.8	L640 E641 A648	L640-A644 WeakPolarHBondContact O-CB 3.41Å; L640-A644 PolarHBondContact O-N 2.83Å; E641-A644 PolarHBondContact O-N 3.2Å; A644-A648 VanDerWaalsContact O-CB 3.24Å; A644-A648 WeakPolarHBondContact O-CB 3.47Å; A644-A648 PolarHBondContact O-N 3.45Å
645	L	87.7	Confident	84.4	Confident	27 Å²	27	51.2 Å²	51.2	14%	0.141	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-46.4	171.5	-84.6	161.7	0	0	0	111.4	M3 Y608 E641 L642 D643 A648 M649	M3-L645 HydrophobicContact CE-CB 4.37Å; M3-L645 HydrophobicContact CE-CD2 3.18Å; M3-L645 HydrophobicContact CE-CG 3.45Å; M3-L645 VanDerWaalsContact CE-CG 3.45Å; M3-L645 HydrophobicContact SD-CD2 3.38Å; M3-L645 WeakPolarHBondContact SD-CD2 3.49Å; M3-L645 HydrophobicContact SD-CG 4.27Å; Y608-L645 WeakPolarHBondContact OH-CD1 3.28Å; E641-L645 WeakPolarHBondContact O-CB 3.39Å; E641-L645 WeakPolarHBondContact O-CG 3.47Å; E641-L645 PolarHBondContact O-N 3.29Å; L642-L645 WeakPolarHBondContact O-CB 3.48Å; L642-L645 PolarHBondContact O-N 3.21Å; D643-L645 VanDerWaalsContact C-N 3.34Å; D643-L645 PolarHBondContact O-N 3.39Å; L645-A648 PolarHBondContact O-N 3.49Å; L645-M649 HydrophobicContact CB-CE 4.45Å; L645-M649 WeakPolarHBondContact O-CB 3.46Å; L645-M649 WeakPolarHBondContact O-CE 3.43Å; L645-M649 VanDerWaalsContact O-CG 3.28Å; L645-M649 WeakPolarHBondContact O-CG 3.48Å; L645-M649 PolarHBondContact O-N 3.44Å
646	T	89.2	Confident	84.9	Confident	9 Å²	9	48.1 Å²	48.1	6%	0.055	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-44.8	-179.3	-55.7	0	0	0	0	111.6	M630 L642 D643 A650 I664 I671	M630-T646 HydrophobicContact CE-CG2 3.94Å; L642-T646 WeakPolarHBondContact O-CB 3.36Å; L642-T646 PolarHBondContact O-N 3.29Å; L642-T646 PolarHBondContact O-OG1 3.02Å; D643-T646 PolarHBondContact O-N 2.85Å; D643-T646 VanDerWaalsContact O-N 3.16Å; T646-A650 WeakPolarHBondContact O-CB 3.47Å; T646-A650 PolarHBondContact O-N 2.71Å; T646-I664 HydrophobicContact CG2-CG2 3.99Å; T646-I671 HydrophobicContact CG2-CD1 3.93Å
647	I	89.4	Confident	85.4	Confident	25 Å²	25	54.3 Å²	54.3	13%	0.128	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-52.8	174	-67.4	164.2	0	0	0	109.9	D643 M649 A650 E651 I671 Q674	D643-I647 VanDerWaalsContact O-CG1 3.28Å; D643-I647 WeakPolarHBondContact O-CG1 3.36Å; D643-I647 PolarHBondContact O-N 3.25Å; I647-M649 VanDerWaalsContact C-N 3.27Å; I647-M649 PolarHBondContact O-N 3.28Å; I647-A650 WeakPolarHBondContact O-CB 3.32Å; I647-A650 PolarHBondContact O-N 3.34Å; I647-E651 HydrophobicContact CG2-CG 4.09Å; I647-E651 WeakPolarHBondContact O-CG 3.46Å; I647-E651 PolarHBondContact O-N 3.19Å; I647-I671 HydrophobicContact CD1-CB 4.41Å; I647-I671 HydrophobicContact CD1-CG1 4.13Å; I647-I671 HydrophobicContact CG1-CB 4.04Å; I647-I671 HydrophobicContact CG1-CG1 3.92Å; I647-I671 HydrophobicContact CG1-CG2 3.83Å; I647-Q674 HydrophobicContact CD1-CB 4.22Å; I647-Q674 HydrophobicContact CG2-CB 4.22Å; I647-Q674 HydrophobicContact CG2-CG 3.78Å
648	A	90.6	Very high	86.1	Confident	19 Å²	19	52.7 Å²	52.7	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-37.3	-177.3	0	0	0	0	0	112.4	M3 I7 A644 L645 F652	M3-A648 HydrophobicContact SD-CB 4.37Å; I7-A648 HydrophobicContact CD1-CB 4.32Å; A644-A648 VanDerWaalsContact O-CB 3.24Å; A644-A648 WeakPolarHBondContact O-CB 3.47Å; A644-A648 PolarHBondContact O-N 3.45Å; L645-A648 PolarHBondContact O-N 3.49Å; A648-F652 VanDerWaalsContact O-CB 3.22Å; A648-F652 WeakPolarHBondContact O-CB 3.49Å; A648-F652 PolarHBondContact O-N 2.77Å
649	M	91.5	Very high	86.7	Confident	18 Å²	18	50.2 Å²	50.2	9%	0.089	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-46.6	172.6	-71.5	-176.7	-68.1	0	0	111.3	A615 L619 M630 F633 L645 I647 E651 F652 L653	A615-M649 HydrophobicContact CB-SD 4.21Å; L619-M649 HydrophobicContact CD1-CG 4.08Å; L619-M649 HydrophobicContact CD1-SD 4.13Å; M630-M649 HydrophobicContact CE-CE 3.57Å; F633-M649 HydrophobicContact CD1-CE 3.64Å; F633-M649 HydrophobicContact CD2-CE 4.41Å; F633-M649 HydrophobicContact CE1-CE 3.32Å; F633-M649 HydrophobicContact CE1-SD 4.23Å; F633-M649 HydrophobicContact CE2-CE 4.14Å; F633-M649 HydrophobicContact CE2-SD 4.46Å; F633-M649 HydrophobicContact CG-CE 4.2Å; F633-M649 HydrophobicContact CZ-CE 3.6Å; F633-M649 HydrophobicContact CZ-SD 3.95Å; L645-M649 HydrophobicContact CB-CE 4.45Å; L645-M649 WeakPolarHBondContact O-CB 3.46Å; L645-M649 WeakPolarHBondContact O-CE 3.43Å; L645-M649 VanDerWaalsContact O-CG 3.28Å; L645-M649 WeakPolarHBondContact O-CG 3.48Å; L645-M649 PolarHBondContact O-N 3.44Å; I647-M649 VanDerWaalsContact C-N 3.27Å; I647-M649 PolarHBondContact O-N 3.28Å; M649-E651 PolarHBondContact O-N 3.4Å; M649-F652 WeakPolarHBondContact O-CB 2.97Å; M649-F652 PolarHBondContact O-N 3.09Å; M649-L653 VanDerWaalsContact O-CG 3.27Å; M649-L653 WeakPolarHBondContact O-CG 3.42Å; M649-L653 PolarHBondContact O-N 3.36Å
650	A	91.1	Very high	87.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-43.3	177.3	0	0	0	0	0	112.3	I547 T646 I647 L653 L654 I664 L675	I547-A650 HydrophobicContact CD1-CB 4.11Å; I547-A650 WeakPolarHBondContact CD1-O 3.07Å; T646-A650 WeakPolarHBondContact O-CB 3.47Å; T646-A650 PolarHBondContact O-N 2.71Å; I647-A650 WeakPolarHBondContact O-CB 3.32Å; I647-A650 PolarHBondContact O-N 3.34Å; A650-L653 PolarHBondContact O-N 3.38Å; A650-L654 WeakPolarHBondContact O-CG 3.48Å; A650-L654 PolarHBondContact O-N 3.11Å; A650-I664 HydrophobicContact CB-CD1 3.84Å; A650-L675 HydrophobicContact CB-CD1 3.79Å; A650-L675 HydrophobicContact CB-CD2 3.99Å
651	E	90.8	Very high	88	Confident	45 Å²	45	39 Å²	39	21%	0.21	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-43.7	174.6	-67.2	-176.9	166.8	0	0	111.3	I647 M649 L653 L654 L655 L675 Y678	I647-E651 HydrophobicContact CG2-CG 4.09Å; I647-E651 WeakPolarHBondContact O-CG 3.46Å; I647-E651 PolarHBondContact O-N 3.19Å; M649-E651 PolarHBondContact O-N 3.4Å; E651-L653 VanDerWaalsContact C-N 3.26Å; E651-L653 PolarHBondContact O-N 2.91Å; E651-L654 PolarHBondContact O-N 3.21Å; E651-L655 WeakPolarHBondContact O-CB 3.46Å; E651-L655 VanDerWaalsContact O-CG 3.26Å; E651-L655 WeakPolarHBondContact O-CG 3.4Å; E651-L655 PolarHBondContact O-N 3.23Å; E651-L675 HydrophobicContact CG-CD2 3.9Å; E651-Y678 HydrophobicContact CG-CE2 3.82Å; E651-Y678 VanDerWaalsContact CG-OH 3.25Å; E651-Y678 WeakPolarHBondContact CG-OH 3.22Å
652	F	91	Very high	88.6	Confident	12 Å²	12	33.8 Å²	33.8	5%	0.053	18%	0.181	C	C	.	.	H	α-helix	trans	-57.2	-40.5	174.5	174.9	-101.2	0	0	0	112.1	I7 M10 F11 L619 L622 A648 M649	I7-F652 HydrophobicContact CG2-CD2 3.96Å; M10-F652 HydrophobicContact CB-CE2 4.02Å; M10-F652 HydrophobicContact CB-CZ 4.17Å; M10-F652 HydrophobicContact CE-CE1 4.02Å; M10-F652 HydrophobicContact CE-CE2 4.44Å; M10-F652 HydrophobicContact CE-CZ 3.61Å; M10-F652 HydrophobicContact SD-CE2 4.41Å; M10-F652 HydrophobicContact SD-CZ 4.12Å; F11-F652 HydrophobicContact CD2-CD2 4.27Å; F11-F652 HydrophobicContact CD2-CE2 4.07Å; F11-F652 AromaticContact CE2-CD2 3.67Å; F11-F652 HydrophobicContact CE2-CD2 3.67Å; F11-F652 AromaticContact CE2-CE2 3.8Å; F11-F652 HydrophobicContact CE2-CE2 3.8Å; F11-F652 HydrophobicContact CZ-CD2 4.38Å; F11-F652 HydrophobicContact CZ-CE2 4.43Å; L619-F652 HydrophobicContact CD2-CD1 4.18Å; L619-F652 HydrophobicContact CD2-CE1 4.35Å; L622-F652 HydrophobicContact CD1-CE1 4.09Å; A648-F652 VanDerWaalsContact O-CB 3.22Å; A648-F652 WeakPolarHBondContact O-CB 3.49Å; A648-F652 PolarHBondContact O-N 2.77Å; M649-F652 WeakPolarHBondContact O-CB 2.97Å; M649-F652 PolarHBondContact O-N 3.09Å
653	L	91.8	Very high	89.2	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-69.3	-41	176.2	-64.3	179.4	0	0	0	112.3	I547 L619 L622 I628 M649 A650 E651 K656 C659 P660 T662	I547-L653 HydrophobicContact CD1-CB 4.16Å; L619-L653 HydrophobicContact CD2-CD2 3.71Å; L619-L653 HydrophobicContact CD2-CG 4.34Å; L622-L653 HydrophobicContact CD1-CD2 3.33Å; L622-L653 HydrophobicContact CD2-CD2 4.12Å; L622-L653 HydrophobicContact CG-CD2 4.37Å; I628-L653 HydrophobicContact CD1-CD1 4.11Å; I628-L653 HydrophobicContact CD1-CD2 4.49Å; M649-L653 VanDerWaalsContact O-CG 3.27Å; M649-L653 WeakPolarHBondContact O-CG 3.42Å; M649-L653 PolarHBondContact O-N 3.36Å; A650-L653 PolarHBondContact O-N 3.38Å; E651-L653 VanDerWaalsContact C-N 3.26Å; E651-L653 PolarHBondContact O-N 2.91Å; L653-K656 PolarHBondContact O-N 3.08Å; L653-C659 PolarHBondContact O-SG 2.82Å; L653-P660 HydrophobicContact CB-CG 4.42Å; L653-P660 HydrophobicContact CD1-CG 4.39Å; L653-P660 HydrophobicContact CD2-CG 3.74Å; L653-P660 HydrophobicContact CG-CG 4.39Å; L653-T662 HydrophobicContact CD1-CG2 3.97Å; L653-T662 WeakPolarHBondContact CD1-OG1 3.11Å
654	L	89.5	Confident	89.6	Confident	8 Å²	8	32.2 Å²	32.2	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-66	-36.5	178.7	-75.1	160.8	0	0	0	112.8	I547 A650 E651 K656 L675 Y678 Q681 V682	I547-L654 HydrophobicContact CD1-CD1 3.93Å; I547-L654 HydrophobicContact CD1-CD2 3.92Å; I547-L654 HydrophobicContact CD1-CG 3.51Å; I547-L654 HydrophobicContact CG1-CD2 3.91Å; I547-L654 HydrophobicContact CG1-CG 4.1Å; A650-L654 WeakPolarHBondContact O-CG 3.48Å; A650-L654 PolarHBondContact O-N 3.11Å; E651-L654 PolarHBondContact O-N 3.21Å; L654-K656 PolarHBondContact O-N 3.35Å; L654-L675 HydrophobicContact CD1-CD2 4.12Å; L654-Y678 HydrophobicContact CB-CD1 4.07Å; L654-Y678 HydrophobicContact CB-CE1 4.24Å; L654-Y678 HydrophobicContact CD1-CD1 3.92Å; L654-Y678 HydrophobicContact CD1-CD2 3.86Å; L654-Y678 HydrophobicContact CD1-CE1 4.35Å; L654-Y678 HydrophobicContact CD1-CE2 4.31Å; L654-Y678 HydrophobicContact CD1-CG 3.65Å; L654-Y678 HydrophobicContact CG-CD1 4.47Å; L654-Q681 HydrophobicContact CD2-CB 3.8Å; L654-V682 HydrophobicContact CD1-CG2 3.96Å; L654-V682 HydrophobicContact CD2-CG2 4.06Å
655	L	88.2	Confident	89.8	Confident	97 Å²	97	30 Å²	30	51%	0.508	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.5	-179	-69	173	0	0	0	113.5	F11 E651 Y678	F11-L655 HydrophobicContact CZ-CB 3.81Å; E651-L655 WeakPolarHBondContact O-CB 3.46Å; E651-L655 VanDerWaalsContact O-CG 3.26Å; E651-L655 WeakPolarHBondContact O-CG 3.4Å; E651-L655 PolarHBondContact O-N 3.23Å; L655-Y678 HydrophobicContact CD2-CE1 4.42Å
656	K	84.5	Confident	89.6	Confident	59 Å²	59	29.2 Å²	29.2	26%	0.257	15%	0.151	S	C	.	.	S	Bend	trans	-73	137.2	170.9	-76.9	-167.5	169.3	-171.7	0	110.1	L622 L653 L654 E658	L622-K656 HydrophobicContact CD1-CD 4.25Å; L653-K656 PolarHBondContact O-N 3.08Å; L654-K656 PolarHBondContact O-N 3.35Å; K656-E658 PolarHBondContact O-N 3.23Å
657	N	79.5	Confident	89	Confident	164 Å²	164	33.4 Å²	33.4	88%	0.877	17%	0.169	S	C	*	.	S	Bend	trans	-51.6	-31.8	173.1	-65.7	-12.7	0	0	0	112.5
658	E	82.5	Confident	88.2	Confident	122 Å²	122	33.6 Å²	33.6	57%	0.57	17%	0.171	S	C	*	.	S	Bend	trans	-121.9	89.3	176.9	-84.6	-176.6	-141.4	0	0	109.2	S624 K656	S624-E658 VanDerWaalsContact CB-OE2 3.24Å; S624-E658 WeakPolarHBondContact CB-OE2 3.4Å; S624-E658 PolarHBondContact OG-OE2 3.18Å; K656-E658 PolarHBondContact O-N 3.23Å
659	C	88.1	Confident	87.3	Confident	10 Å²	10	34.7 Å²	34.7	7%	0.068	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-73.1	126.2	179.8	-170.5	0	0	0	0	110.6	K546 L653	K546-C659 HydrophobicContact CB-CB 4.22Å; K546-C659 WeakPolarHBondContact CD-O 3.49Å; K546-C659 WeakPolarHBondContact CE-O 3.41Å; K546-C659 HydrophobicContact CG-CB 4.2Å; K546-C659 PolarHBondContact NZ-O 3.22Å; L653-C659 PolarHBondContact O-SG 2.82Å
660	P	92.6	Very high	86.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-70.3	164.3	173.6	30.7	-36.1	0	0	0	111.5	L622 T623 T626 I628 L653 T662	L622-P660 HydrophobicContact CD2-CB 4.4Å; L622-P660 HydrophobicContact CD2-CG 4.02Å; T623-P660 WeakPolarHBondContact O-CB 3.46Å; T626-P660 WeakPolarHBondContact O-CB 3.46Å; I628-P660 HydrophobicContact CD1-CG 4.37Å; L653-P660 HydrophobicContact CB-CG 4.42Å; L653-P660 HydrophobicContact CD1-CG 4.39Å; L653-P660 HydrophobicContact CD2-CG 3.74Å; L653-P660 HydrophobicContact CG-CG 4.39Å; P660-T662 PolarHBondContact O-N 3.23Å
661	Y	94.1	Very high	85.7	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	122.8	173.1	-67.4	-85	0	0	0	109.8	N514 C515 I516 S540 K546 F588 T626 L627 I628	N514-Y661 WeakPolarHBondContact CA-OH 3.36Å; N514-Y661 WeakPolarHBondContact CB-OH 3.44Å; N514-Y661 PolarHBondContact O-OH 2.78Å; C515-Y661 WeakPolarHBondContact CA-OH 3.41Å; C515-Y661 PolarHBondContact N-OH 2.77Å; C515-Y661 VanDerWaalsContact N-OH 3.09Å; I516-Y661 HydrophobicContact CD1-CD1 3.99Å; I516-Y661 HydrophobicContact CD1-CG 3.93Å; I516-Y661 HydrophobicContact CG1-CD1 4.23Å; I516-Y661 HydrophobicContact CG1-CE1 4.38Å; I516-Y661 HydrophobicContact CG1-CG 4.44Å; S540-Y661 WeakPolarHBondContact OG-CD1 3.21Å; S540-Y661 VanDerWaalsContact OG-CE1 3.26Å; S540-Y661 WeakPolarHBondContact OG-CE1 2.95Å; K546-Y661 HydrophobicContact CD-CD1 4.15Å; K546-Y661 HydrophobicContact CD-CE1 3.93Å; K546-Y661 VanDerWaalsContact NZ-CE2 3.32Å; K546-Y661 PolarHBondContact NZ-OH 2.94Å; F588-Y661 AromaticContact CE1-CD2 3.4Å; F588-Y661 HydrophobicContact CE1-CD2 3.4Å; F588-Y661 AromaticContact CE1-CE2 3.99Å; F588-Y661 HydrophobicContact CE1-CE2 3.99Å; F588-Y661 HydrophobicContact CE1-CG 4.02Å; F588-Y661 AromaticContact CZ-CD2 3.63Å; F588-Y661 HydrophobicContact CZ-CD2 3.63Å; F588-Y661 AromaticContact CZ-CE2 3.82Å; F588-Y661 HydrophobicContact CZ-CE2 3.82Å; F588-Y661 HydrophobicContact CZ-CG 4.2Å; T626-Y661 PolarHBondContact O-N 3.16Å; L627-Y661 CarbonylContact C-O 3.45Å; L627-Y661 WeakPolarHBondContact CA-O 3.33Å; I628-Y661 PolarHBondContact N-O 3.47Å
662	T	94.7	Very high	84.9	Confident	1 Å²	1	38 Å²	38	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.8	-175.7	-51.1	0	0	0	0	110.5	K546 I547 T548 I628 M630 L653 P660 I664	K546-T662 PolarHBondContact O-N 3.48Å; I547-T662 CarbonylContact C-O 3.58Å; I547-T662 WeakPolarHBondContact CA-O 3.24Å; T548-T662 PolarHBondContact N-O 3.18Å; I628-T662 HydrophobicContact CB-CG2 4.07Å; I628-T662 HydrophobicContact CG2-CG2 4.1Å; I628-T662 CarbonylContact O-C 3.58Å; I628-T662 VanDerWaalsContact O-CA 3.31Å; I628-T662 WeakPolarHBondContact O-CA 3.29Å; M630-T662 HydrophobicContact SD-CG2 4.4Å; L653-T662 HydrophobicContact CD1-CG2 3.97Å; L653-T662 WeakPolarHBondContact CD1-OG1 3.11Å; P660-T662 PolarHBondContact O-N 3.23Å; T662-I664 HydrophobicContact CG2-CD1 4.12Å; T662-I664 HydrophobicContact CG2-CG1 3.76Å
663	I	95.1	Very high	84.2	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.8	173.6	-53.6	167.3	0	0	0	107.9	F538 T548 M562 I565 L627 I628 I629 M630	F538-I663 HydrophobicContact CE1-CD1 4.33Å; F538-I663 HydrophobicContact CE2-CD1 4.36Å; F538-I663 HydrophobicContact CZ-CD1 3.94Å; F538-I663 HydrophobicContact CZ-CG1 4.16Å; T548-I663 HydrophobicContact CG2-CG2 4.46Å; T548-I663 CarbonylContact O-C 3.47Å; T548-I663 WeakPolarHBondContact O-CA 3.23Å; M562-I663 HydrophobicContact CG-CG2 3.8Å; M562-I663 HydrophobicContact SD-CG2 3.98Å; I565-I663 HydrophobicContact CB-CD1 4.17Å; I565-I663 HydrophobicContact CD1-CD1 3.63Å; I565-I663 HydrophobicContact CG1-CD1 4.5Å; I565-I663 HydrophobicContact CG2-CD1 3.81Å; L627-I663 HydrophobicContact CD1-CD1 4.48Å; I628-I663 PolarHBondContact O-N 2.98Å; I629-I663 WeakPolarHBondContact CA-O 3.39Å; M630-I663 PolarHBondContact N-O 3.33Å
664	I	93.2	Very high	83.6	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	108.2	-175.8	-52.2	179.9	0	0	0	108.6	I547 T548 L549 L550 M630 T646 A650 T662	I547-I664 HydrophobicContact CG2-CD1 4.04Å; I547-I664 HydrophobicContact CG2-CG1 4.48Å; T548-I664 PolarHBondContact O-N 3.37Å; L549-I664 HydrophobicContact CD2-CB 3.93Å; L549-I664 HydrophobicContact CD2-CD1 4.31Å; L549-I664 HydrophobicContact CD2-CG2 4.16Å; L550-I664 PolarHBondContact N-O 3.26Å; M630-I664 HydrophobicContact CB-CB 4.39Å; M630-I664 HydrophobicContact CB-CG1 4.26Å; M630-I664 HydrophobicContact CB-CG2 4.23Å; M630-I664 HydrophobicContact CG-CG1 4.41Å; M630-I664 HydrophobicContact SD-CD1 3.96Å; M630-I664 HydrophobicContact SD-CG1 3.82Å; T646-I664 HydrophobicContact CG2-CG2 3.99Å; A650-I664 HydrophobicContact CB-CD1 3.84Å; T662-I664 HydrophobicContact CG2-CD1 4.12Å; T662-I664 HydrophobicContact CG2-CG1 3.76Å
665	A	90.6	Very high	83.4	Confident	4 Å²	4	50 Å²	50	3%	0.033	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	123.5	167.5	0	0	0	0	0	110.6	L550 M562 M630	L550-A665 HydrophobicContact CD2-CB 4.46Å; L550-A665 WeakPolarHBondContact O-CA 3.38Å; M562-A665 HydrophobicContact CE-CB 3.34Å; M562-A665 HydrophobicContact SD-CB 3.53Å; M562-A665 VanDerWaalsContact SD-CB 3.53Å; M630-A665 PolarHBondContact O-N 2.9Å
666	T	84.6	Confident	83	Confident	11 Å²	11	51.4 Å²	51.4	7%	0.067	24%	0.238	C	C	.	.			trans	-142	148.4	176.1	-176.8	0	0	0	0	111.6	L550 N668 I671	L550-T666 PolarHBondContact O-N 3.32Å; T666-N668 PolarHBondContact OG1-N 3.22Å; T666-I671 HydrophobicContact CG2-CD1 4.34Å
667	H	75	Confident	82.9	Confident	97 Å²	97	54.6 Å²	54.6	45%	0.449	26%	0.255	S	S	.	.	S	Bend	trans	-93.8	1.3	169.1	59.7	-89.9	0	0	0	112.2
668	N	72.9	Confident	83	Confident	29 Å²	29	49.3 Å²	49.3	16%	0.155	22%	0.223	C	C	.	.			trans	-107.4	114.7	-172	-164.2	-24.3	0	0	0	113.4	D643 T666 K670 I671	D643-N668 PolarHBondContact OD1-ND2 3.1Å; D643-N668 PolarHBondContact OD2-ND2 3.39Å; T666-N668 PolarHBondContact OG1-N 3.22Å; N668-K670 VanDerWaalsContact C-N 3.25Å; N668-K670 PolarHBondContact O-N 3.35Å; N668-K670 WeakPolarHBondContact OD1-CB 3.41Å; N668-K670 WeakPolarHBondContact OD1-CG 3.49Å; N668-K670 PolarHBondContact OD1-N 3.47Å; N668-I671 HydrophobicContact CB-CD1 4.43Å; N668-I671 HydrophobicContact CB-CG1 4.48Å; N668-I671 PolarHBondContact O-N 2.96Å
669	H	71.5	Confident	83.1	Confident	42 Å²	42	45.1 Å²	45.1	19%	0.194	21%	0.213	C	C	.	.	H	α-helix	trans	-70.8	-15.9	-179.1	-46.2	-53	0	0	0	114.4	I671 L672 R673 N707 L708	H669-I671 VanDerWaalsContact C-N 3.31Å; H669-I671 PolarHBondContact O-N 3.41Å; H669-L672 HydrophobicContact CB-CD1 4.08Å; H669-L672 WeakPolarHBondContact O-CB 3.5Å; H669-L672 PolarHBondContact O-N 3.49Å; H669-R673 PolarHBondContact O-N 2.88Å; H669-N707 PolarHBondContact CE1-O 2.82Å; H669-N707 PolarHBondContact ND1-O 2.88Å; H669-L708 HydrophobicContact CB-CD2 3.9Å; H669-L708 PolarHBondContact CD2-O 3.43Å; H669-L708 VanDerWaalsContact CE1-CA 3.49Å; H669-L708 WeakPolarHBondContact CE1-CA 3.48Å; H669-L708 PolarHBondContact NE2-O 3.16Å; H669-L708 VanDerWaalsContact NE2-O 3.17Å
670	K	73	Confident	83	Confident	126 Å²	126	48.8 Å²	48.8	55%	0.548	24%	0.237	S	C	.	.	H	α-helix	trans	-64.1	-37.8	177	-67.7	-175.9	179.2	-177.9	0	112	L640 N668 L672 R673	L640-K670 HydrophobicContact CD2-CD 4.47Å; N668-K670 VanDerWaalsContact C-N 3.25Å; N668-K670 PolarHBondContact O-N 3.35Å; N668-K670 WeakPolarHBondContact OD1-CB 3.41Å; N668-K670 WeakPolarHBondContact OD1-CG 3.49Å; N668-K670 PolarHBondContact OD1-N 3.47Å; K670-L672 VanDerWaalsContact C-N 3.27Å; K670-L672 PolarHBondContact O-N 3.42Å; K670-R673 PolarHBondContact O-N 3.35Å
671	I	76	Confident	82.8	Confident	2 Å²	2	52 Å²	52	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-40.7	176.2	-58.2	-178.3	0	0	0	110.4	L549 D643 T646 I647 T666 N668 H669 R673 Q674 L675	L549-I671 HydrophobicContact CD2-CG2 4.15Å; D643-I671 HydrophobicContact CB-CD1 4.25Å; D643-I671 HydrophobicContact CB-CG1 4.1Å; T646-I671 HydrophobicContact CG2-CD1 3.93Å; I647-I671 HydrophobicContact CD1-CB 4.41Å; I647-I671 HydrophobicContact CD1-CG1 4.13Å; I647-I671 HydrophobicContact CG1-CB 4.04Å; I647-I671 HydrophobicContact CG1-CG1 3.92Å; I647-I671 HydrophobicContact CG1-CG2 3.83Å; T666-I671 HydrophobicContact CG2-CD1 4.34Å; N668-I671 HydrophobicContact CB-CD1 4.43Å; N668-I671 HydrophobicContact CB-CG1 4.48Å; N668-I671 PolarHBondContact O-N 2.96Å; H669-I671 VanDerWaalsContact C-N 3.31Å; H669-I671 PolarHBondContact O-N 3.41Å; I671-R673 PolarHBondContact O-N 3.03Å; I671-Q674 PolarHBondContact O-N 3.27Å; I671-L675 HydrophobicContact CG2-CD1 3.91Å; I671-L675 PolarHBondContact O-N 3.02Å
672	L	74.8	Confident	82.6	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-45.2	-177.1	-52	169.7	0	0	0	111.9	L549 T551 H669 K670 Q674 L675 Q676 Y684 L706	L549-L672 HydrophobicContact CB-CD2 3.82Å; L549-L672 HydrophobicContact CD1-CD2 4.01Å; L549-L672 HydrophobicContact CD2-CD2 4.36Å; L549-L672 HydrophobicContact CG-CD2 4.28Å; T551-L672 HydrophobicContact CG2-CD1 3.65Å; T551-L672 HydrophobicContact CG2-CD2 3.73Å; T551-L672 HydrophobicContact CG2-CG 4.27Å; H669-L672 HydrophobicContact CB-CD1 4.08Å; H669-L672 WeakPolarHBondContact O-CB 3.5Å; H669-L672 PolarHBondContact O-N 3.49Å; K670-L672 VanDerWaalsContact C-N 3.27Å; K670-L672 PolarHBondContact O-N 3.42Å; L672-Q674 VanDerWaalsContact C-N 3.31Å; L672-Q674 PolarHBondContact O-N 2.87Å; L672-L675 PolarHBondContact O-N 3.25Å; L672-Q676 PolarHBondContact O-N 3.47Å; L672-Y684 HydrophobicContact CB-CE1 4.47Å; L672-Y684 HydrophobicContact CD2-CD1 4.23Å; L672-Y684 HydrophobicContact CD2-CE1 4.36Å; L672-L706 HydrophobicContact CB-CD2 4.1Å; L672-L706 HydrophobicContact CD1-CD2 3.67Å; L672-L706 HydrophobicContact CD2-CD2 4.05Å; L672-L706 HydrophobicContact CG-CD2 4.13Å
673	R	75.8	Confident	82.5	Confident	190 Å²	190	52.9 Å²	52.9	72%	0.717	26%	0.256	S	S	*	.	H	α-helix	trans	-62.4	-38.7	-178.4	-71.2	-174.1	-179.6	177.8	-0.4	112.4	H669 K670 I671	H669-R673 PolarHBondContact O-N 2.88Å; K670-R673 PolarHBondContact O-N 3.35Å; I671-R673 PolarHBondContact O-N 3.03Å
674	Q	79.9	Confident	82.3	Confident	86 Å²	86	54.8 Å²	54.8	40%	0.402	26%	0.264	S	S	.	.	H	α-helix	trans	-72.4	-40.1	-177.6	-166.6	67.4	4.5	0	0	111.5	I647 I671 L672 Q676 M677	I647-Q674 HydrophobicContact CD1-CB 4.22Å; I647-Q674 HydrophobicContact CG2-CB 4.22Å; I647-Q674 HydrophobicContact CG2-CG 3.78Å; I671-Q674 PolarHBondContact O-N 3.27Å; L672-Q674 VanDerWaalsContact C-N 3.31Å; L672-Q674 PolarHBondContact O-N 2.87Å; Q674-Q676 VanDerWaalsContact C-N 3.26Å; Q674-Q676 PolarHBondContact O-N 2.85Å; Q674-M677 WeakPolarHBondContact O-CE 3.42Å; Q674-M677 WeakPolarHBondContact O-CG 3.27Å
675	L	84.1	Confident	82.3	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-77.6	-10.2	-178.4	-64.3	176	0	0	0	113.6	L549 A650 E651 L654 I671 L672 M677 Y678 V682 Y684	L549-L675 HydrophobicContact CD1-CB 3.95Å; L549-L675 HydrophobicContact CD1-CD1 3.71Å; L549-L675 HydrophobicContact CD1-CG 4.47Å; L549-L675 HydrophobicContact CD2-CD1 3.93Å; L549-L675 HydrophobicContact CG-CD1 4.31Å; A650-L675 HydrophobicContact CB-CD1 3.79Å; A650-L675 HydrophobicContact CB-CD2 3.99Å; E651-L675 HydrophobicContact CG-CD2 3.9Å; L654-L675 HydrophobicContact CD1-CD2 4.12Å; I671-L675 HydrophobicContact CG2-CD1 3.91Å; I671-L675 PolarHBondContact O-N 3.02Å; L672-L675 PolarHBondContact O-N 3.25Å; L675-M677 PolarHBondContact O-N 2.89Å; L675-Y678 HydrophobicContact CD2-CD2 4.2Å; L675-Y678 HydrophobicContact CD2-CE2 4.14Å; L675-Y678 PolarHBondContact O-N 3.27Å; L675-V682 HydrophobicContact CB-CG1 4.48Å; L675-Y684 PolarHBondContact O-OH 3.2Å
676	Q	80.6	Confident	82.4	Confident	126 Å²	126	55.5 Å²	55.5	59%	0.589	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-60.6	-28.4	178.2	-164.9	174.2	-0.7	0	0	113.5	L672 Q674 Y678 G679 Y684	L672-Q676 PolarHBondContact O-N 3.47Å; Q674-Q676 VanDerWaalsContact C-N 3.26Å; Q674-Q676 PolarHBondContact O-N 2.85Å; Q676-Y678 PolarHBondContact O-N 3.36Å; Q676-G679 PolarHBondContact O-N 2.97Å; Q676-Y684 WeakPolarHBondContact CA-OH 3.39Å; Q676-Y684 PolarHBondContact N-OH 3.02Å; Q676-Y684 VanDerWaalsContact N-OH 3.08Å
677	M	82	Confident	82.7	Confident	126 Å²	126	55 Å²	55	62%	0.621	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-67.9	-18.1	-179.8	67.9	-174.4	56.8	0	0	114.5	Q674 L675 G679	Q674-M677 WeakPolarHBondContact O-CE 3.42Å; Q674-M677 WeakPolarHBondContact O-CG 3.27Å; L675-M677 PolarHBondContact O-N 2.89Å; M677-G679 VanDerWaalsContact C-N 3.26Å; M677-G679 PolarHBondContact O-N 2.93Å
678	Y	82.8	Confident	83.4	Confident	53 Å²	53	56.1 Å²	56.1	21%	0.208	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-83.3	0.7	-178.9	-66	-89	0	0	0	113.7	E651 L654 L655 L675 Q676	E651-Y678 HydrophobicContact CG-CE2 3.82Å; E651-Y678 VanDerWaalsContact CG-OH 3.25Å; E651-Y678 WeakPolarHBondContact CG-OH 3.22Å; L654-Y678 HydrophobicContact CB-CD1 4.07Å; L654-Y678 HydrophobicContact CB-CE1 4.24Å; L654-Y678 HydrophobicContact CD1-CD1 3.92Å; L654-Y678 HydrophobicContact CD1-CD2 3.86Å; L654-Y678 HydrophobicContact CD1-CE1 4.35Å; L654-Y678 HydrophobicContact CD1-CE2 4.31Å; L654-Y678 HydrophobicContact CD1-CG 3.65Å; L654-Y678 HydrophobicContact CG-CD1 4.47Å; L655-Y678 HydrophobicContact CD2-CE1 4.42Å; L675-Y678 HydrophobicContact CD2-CD2 4.2Å; L675-Y678 HydrophobicContact CD2-CE2 4.14Å; L675-Y678 PolarHBondContact O-N 3.27Å; Q676-Y678 PolarHBondContact O-N 3.36Å
679	G	83.8	Confident	84.1	Confident	34 Å²	34	56.6 Å²	56.6	35%	0.351	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	63.5	-138.8	169.7	0	0	0	0	0	113.9	Q676 M677 Q681 V682	Q676-G679 PolarHBondContact O-N 2.97Å; M677-G679 VanDerWaalsContact C-N 3.26Å; M677-G679 PolarHBondContact O-N 2.93Å; G679-Q681 PolarHBondContact O-N 3.49Å; G679-Q681 VanDerWaalsContact O-N 3.09Å; G679-V682 PolarHBondContact O-N 3.32Å; G679-V682 VanDerWaalsContact O-N 3.11Å
680	P	86	Confident	84.8	Confident	87 Å²	87	57.5 Å²	57.5	57%	0.565	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-69.2	-10.6	-166.8	29.9	-36.6	0	0	0	114.4	K544 H545 V682	K544-P680 WeakPolarHBondContact CA-O 3.31Å; K544-P680 HydrophobicContact CG-CB 4.38Å; H545-P680 PolarHBondContact CD2-O 3.47Å; H545-P680 PolarHBondContact N-O 3.03Å; P680-V682 PolarHBondContact O-N 3.3Å
681	Q	87.9	Confident	85.2	Confident	66 Å²	66	56.9 Å²	56.9	31%	0.308	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-67.9	-21.4	173	-68.6	-173.4	-41.7	0	0	112.4	H545 K546 I547 L654 G679	H545-Q681 CarbonylContact C-O 3.51Å; H545-Q681 WeakPolarHBondContact CA-O 3.43Å; H545-Q681 PolarHBondContact N-O 3.28Å; K546-Q681 PolarHBondContact N-O 2.85Å; I547-Q681 PolarHBondContact N-O 3.25Å; I547-Q681 VanDerWaalsContact N-O 3.12Å; L654-Q681 HydrophobicContact CD2-CB 3.8Å; G679-Q681 PolarHBondContact O-N 3.49Å; G679-Q681 VanDerWaalsContact O-N 3.09Å
682	V	90.9	Very high	85.3	Confident	7 Å²	7	61.8 Å²	61.8	4%	0.042	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.6	-178.4	-172.6	0	0	0	0	110.2	I547 L549 L654 L675 G679 P680 Y684	I547-V682 HydrophobicContact CB-CG2 4.5Å; I547-V682 CarbonylContact O-C 3.54Å; I547-V682 VanDerWaalsContact O-CA 3.28Å; I547-V682 WeakPolarHBondContact O-CA 3.24Å; L549-V682 HydrophobicContact CD1-CG1 3.54Å; L549-V682 HydrophobicContact CG-CG1 4.23Å; L654-V682 HydrophobicContact CD1-CG2 3.96Å; L654-V682 HydrophobicContact CD2-CG2 4.06Å; L675-V682 HydrophobicContact CB-CG1 4.48Å; G679-V682 PolarHBondContact O-N 3.32Å; G679-V682 VanDerWaalsContact O-N 3.11Å; P680-V682 PolarHBondContact O-N 3.3Å; V682-Y684 HydrophobicContact CB-CE2 4.25Å; V682-Y684 HydrophobicContact CG1-CE1 4.04Å; V682-Y684 HydrophobicContact CG1-CE2 3.92Å; V682-Y684 WeakPolarHBondContact CG1-OH 3.35Å
683	Q	91.6	Very high	85.2	Confident	16 Å²	16	69.1 Å²	69.1	8%	0.075	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.1	173	-170.4	179.3	6.8	0	0	110.6	Y539 H545 I547 T548 L549 L685 N704	Y539-Q683 PolarHBondContact O-OE1 3.44Å; Y539-Q683 VanDerWaalsContact O-OE1 3.11Å; H545-Q683 HydrophobicContact CB-CB 3.74Å; H545-Q683 HydrophobicContact CB-CG 4.42Å; I547-Q683 PolarHBondContact O-N 3.2Å; T548-Q683 CarbonylContact C-O 3.54Å; T548-Q683 WeakPolarHBondContact CA-O 3.41Å; L549-Q683 PolarHBondContact N-O 3.11Å; Q683-L685 HydrophobicContact CG-CD2 4.36Å; Q683-L685 HydrophobicContact CG-CG 4.32Å; Q683-N704 PolarHBondContact NE2-OD1 3.28Å
684	Y	91.7	Very high	84.9	Confident	42 Å²	42	63.5 Å²	63.5	17%	0.165	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.3	177.9	-59.3	-84	0	0	0	110.2	L549 L672 L675 Q676 V682 G705 L706	L549-Y684 HydrophobicContact CB-CD1 4.05Å; L549-Y684 HydrophobicContact CB-CE1 4.39Å; L549-Y684 HydrophobicContact CD1-CD1 3.89Å; L549-Y684 HydrophobicContact CD1-CE1 3.36Å; L549-Y684 HydrophobicContact CG-CE1 4.49Å; L672-Y684 HydrophobicContact CB-CE1 4.47Å; L672-Y684 HydrophobicContact CD2-CD1 4.23Å; L672-Y684 HydrophobicContact CD2-CE1 4.36Å; L675-Y684 PolarHBondContact O-OH 3.2Å; Q676-Y684 WeakPolarHBondContact CA-OH 3.39Å; Q676-Y684 PolarHBondContact N-OH 3.02Å; Q676-Y684 VanDerWaalsContact N-OH 3.08Å; V682-Y684 HydrophobicContact CB-CE2 4.25Å; V682-Y684 HydrophobicContact CG1-CE1 4.04Å; V682-Y684 HydrophobicContact CG1-CE2 3.92Å; V682-Y684 WeakPolarHBondContact CG1-OH 3.35Å; Y684-G705 CarbonylContact C-O 3.53Å; Y684-G705 PolarHBondContact O-N 3.27Å; Y684-L706 HydrophobicContact CD1-CD2 3.43Å; Y684-L706 VanDerWaalsContact CD1-CD2 3.43Å; Y684-L706 HydrophobicContact CD1-CG 4.32Å; Y684-L706 HydrophobicContact CE1-CD2 4.21Å; Y684-L706 HydrophobicContact CG-CD2 3.89Å; Y684-L706 HydrophobicContact CG-CG 4.33Å
685	L	93.2	Very high	84.4	Confident	7 Å²	7	66.2 Å²	66.2	4%	0.037	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	148.7	176.3	-64.8	-176.4	0	0	0	110.5	F538 T548 L549 L550 T551 Y561 Q683 V703 N704 G705	F538-L685 HydrophobicContact CD2-CD1 4.41Å; T548-L685 HydrophobicContact CG2-CB 4.38Å; T548-L685 HydrophobicContact CG2-CD1 3.61Å; T548-L685 HydrophobicContact CG2-CG 3.88Å; L549-L685 PolarHBondContact O-N 3.11Å; L550-L685 WeakPolarHBondContact CA-O 3.36Å; L550-L685 HydrophobicContact CD1-CB 3.87Å; T551-L685 PolarHBondContact N-O 2.76Å; T551-L685 PolarHBondContact OG1-O 2.96Å; Y561-L685 HydrophobicContact CE1-CD1 3.98Å; Y561-L685 VanDerWaalsContact OH-CD1 3.25Å; Y561-L685 WeakPolarHBondContact OH-CD1 3.31Å; Q683-L685 HydrophobicContact CG-CD2 4.36Å; Q683-L685 HydrophobicContact CG-CG 4.32Å; L685-V703 WeakPolarHBondContact CA-O 2.83Å; L685-N704 VanDerWaalsContact CD2-OD1 3.23Å; L685-N704 WeakPolarHBondContact CD2-OD1 3.06Å; L685-G705 CarbonylContact C-O 3.6Å
686	T	91.8	Very high	84	Confident	14 Å²	14	67.6 Å²	67.6	9%	0.086	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147.6	169.9	-163.7	0	0	0	0	112.4	T551 R688 V703 N707	T551-T686 CarbonylContact O-C 3.59Å; T551-T686 WeakPolarHBondContact O-CA 3.37Å; T551-T686 PolarHBondContact O-OG1 2.89Å; T551-T686 WeakPolarHBondContact OG1-CB 3.02Å; T551-T686 PolarHBondContact OG1-OG1 2.94Å; T686-R688 PolarHBondContact O-N 3.22Å; T686-V703 HydrophobicContact CG2-CG2 3.95Å; T686-V703 PolarHBondContact N-O 3.43Å; T686-V703 WeakPolarHBondContact O-CG2 2.94Å; T686-V703 PolarHBondContact O-N 3.42Å; T686-N707 HydrophobicContact CG2-CB 4.4Å; T686-N707 WeakPolarHBondContact OG1-CB 3.37Å
687	M	91.6	Very high	84.1	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.4	171.5	-57.4	-53	-63.5	0	0	109.3	L550 T551 S556 K558 T689 Y700 E701 A702	L550-M687 HydrophobicContact CD1-CG 4.5Å; L550-M687 HydrophobicContact CD1-SD 3.98Å; T551-M687 PolarHBondContact O-N 3.38Å; S556-M687 VanDerWaalsContact O-CE 3.25Å; S556-M687 WeakPolarHBondContact O-CE 3.46Å; S556-M687 WeakPolarHBondContact OG-CG 3.28Å; K558-M687 HydrophobicContact CG-CG 3.67Å; M687-T689 PolarHBondContact O-N 3.39Å; M687-Y700 VanDerWaalsContact CE-C 3.42Å; M687-Y700 WeakPolarHBondContact CE-O 3.36Å; M687-E701 CarbonylContact C-O 3.59Å; M687-E701 WeakPolarHBondContact CA-O 3Å; M687-A702 HydrophobicContact SD-CB 4.11Å
688	R	90.5	Very high	84.2	Confident	119 Å²	119	59.7 Å²	59.7	45%	0.449	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	131.9	-178.1	-169.4	179.5	-178.6	171.6	2.3	110.9	T686 L699 E701 V703	T686-R688 PolarHBondContact O-N 3.22Å; R688-L699 HydrophobicContact CB-CB 4.43Å; R688-L699 HydrophobicContact CG-CD1 4.07Å; R688-L699 PolarHBondContact O-N 3.39Å; R688-E701 HydrophobicContact CB-CB 4.22Å; R688-E701 WeakPolarHBondContact CB-O 3.47Å; R688-E701 WeakPolarHBondContact CD-OE2 3.28Å; R688-E701 IonicContact CZ-OE2 2.63Å; R688-E701 PolarHBondContact N-O 2.93Å; R688-E701 IonicContact NE-OE2 2.65Å; R688-E701 IonicContact NH1-OE2 2.82Å; R688-E701 PolarHBondContact NH1-OE2 2.94Å; R688-V703 HydrophobicContact CB-CG1 4.22Å; R688-V703 HydrophobicContact CB-CG2 4.11Å
689	T	86.5	Confident	84.4	Confident	40 Å²	40	60.2 Å²	60.2	25%	0.245	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.8	-179.7	54.8	0	0	0	0	110.2	P553 M687 V696 V697	P553-T689 HydrophobicContact CG-CG2 3.75Å; M687-T689 PolarHBondContact O-N 3.39Å; T689-V696 HydrophobicContact CG2-CG1 3.81Å; T689-V697 WeakPolarHBondContact CA-O 3.47Å
690	V	85.6	Confident	84.7	Confident	60 Å²	60	63.6 Å²	63.6	36%	0.364	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.5	175	178.9	0	0	0	0	109.2	H692 V697 L699	V690-H692 PolarHBondContact O-N 3.14Å; V690-V697 PolarHBondContact N-O 3.32Å; V690-V697 PolarHBondContact O-N 3.41Å; V690-L699 HydrophobicContact CG2-CD1 3.61Å; V690-L699 HydrophobicContact CG2-CG 4.14Å
691	P	81.4	Confident	85	Confident	113 Å²	113	62.9 Å²	62.9	73%	0.734	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	125.7	168.4	29.4	-31.9	0	0	0	109.6	R695	P691-R695 CarbonylContact C-O 3.53Å; P691-R695 WeakPolarHBondContact CA-O 3.24Å
692	H	78.6	Confident	85.3	Confident	106 Å²	106	60.6 Å²	60.6	49%	0.491	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	120.3	176.7	-175.9	71.5	0	0	0	109.2	V690 G694 R695 V697	V690-H692 PolarHBondContact O-N 3.14Å; H692-G694 VanDerWaalsContact C-N 3.29Å; H692-G694 PolarHBondContact O-N 2.65Å; H692-R695 PolarHBondContact N-O 3.25Å; H692-R695 WeakPolarHBondContact O-CA 3.38Å; H692-R695 WeakPolarHBondContact O-CB 3.39Å; H692-R695 PolarHBondContact O-N 3.37Å; H692-V697 HydrophobicContact CB-CG2 3.89Å
693	E	73.7	Confident	85.4	Confident	159 Å²	159	62.3 Å²	62.3	74%	0.743	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	43.2	177.1	-59.5	-176.4	165.6	0	0	114.2	R695	E693-R695 PolarHBondContact O-N 3.04Å
694	G	67.9	Low	85.4	Confident	71 Å²	71	67.7 Å²	67.7	73%	0.732	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	0.8	-177.4	0	0	0	0	0	115	H692	H692-G694 VanDerWaalsContact C-N 3.29Å; H692-G694 PolarHBondContact O-N 2.65Å
695	R	69.9	Low	85.2	Confident	143 Å²	143	67 Å²	67	54%	0.54	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	157	175.6	-56.8	177.1	-178.7	175.5	0.8	110.9	P691 H692 E693	P691-R695 CarbonylContact C-O 3.53Å; P691-R695 WeakPolarHBondContact CA-O 3.24Å; H692-R695 PolarHBondContact N-O 3.25Å; H692-R695 WeakPolarHBondContact O-CA 3.38Å; H692-R695 WeakPolarHBondContact O-CB 3.39Å; H692-R695 PolarHBondContact O-N 3.37Å; E693-R695 PolarHBondContact O-N 3.04Å
696	V	75.9	Confident	84.5	Confident	29 Å²	29	70.1 Å²	70.1	18%	0.176	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.6	171.8	175.8	0	0	0	0	109	T689 E711 S714	T689-V696 HydrophobicContact CG2-CG1 3.81Å; V696-E711 HydrophobicContact CG2-CG 4.32Å; V696-E711 WeakPolarHBondContact CG2-OE2 3.38Å; V696-S714 VanDerWaalsContact CG2-OG 3.28Å; V696-S714 WeakPolarHBondContact CG2-OG 3.42Å
697	V	82.2	Confident	83.7	Confident	62 Å²	62	70.4 Å²	70.4	38%	0.376	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.4	175.5	-178.6	0	0	0	0	108.7	T689 V690 H692 L699	T689-V697 WeakPolarHBondContact CA-O 3.47Å; V690-V697 PolarHBondContact N-O 3.32Å; V690-V697 PolarHBondContact O-N 3.41Å; H692-V697 HydrophobicContact CB-CG2 3.89Å; V697-L699 HydrophobicContact CG1-CD2 4.35Å
698	C	84.4	Confident	82.5	Confident	25 Å²	25	75.2 Å²	75.2	17%	0.169	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.1	175	-65.7	0	0	0	0	109.5	S556 Y700	S556-C698 VanDerWaalsContact CB-SG 3.59Å; C698-Y700 VanDerWaalsContact C-N 3.35Å; C698-Y700 WeakPolarHBondContact O-CD2 3.41Å; C698-Y700 VanDerWaalsContact O-CE2 3.28Å; C698-Y700 WeakPolarHBondContact O-CE2 3.38Å
699	L	88.5	Confident	81.5	Confident	63 Å²	63	78.5 Å²	78.5	33%	0.33	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	2.1	178.5	-61.5	-174.3	0	0	0	113.1	I534 R688 V690 V697 E701	I534-L699 WeakPolarHBondContact CD1-O 3.39Å; R688-L699 HydrophobicContact CB-CB 4.43Å; R688-L699 HydrophobicContact CG-CD1 4.07Å; R688-L699 PolarHBondContact O-N 3.39Å; V690-L699 HydrophobicContact CG2-CD1 3.61Å; V690-L699 HydrophobicContact CG2-CG 4.14Å; V697-L699 HydrophobicContact CG1-CD2 4.35Å; L699-E701 PolarHBondContact O-N 3.38Å
700	Y	89.8	Confident	80.5	Confident	106 Å²	106	80.1 Å²	80.1	42%	0.416	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.5	17.9	-179.3	-47	-87.4	0	0	0	115.4	I534 N536 G555 S556 M687 C698	I534-Y700 HydrophobicContact CD1-CD2 3.58Å; I534-Y700 HydrophobicContact CD1-CG 4.03Å; I534-Y700 WeakPolarHBondContact CG2-O 3.45Å; N536-Y700 PolarHBondContact ND2-O 3.04Å; G555-Y700 WeakPolarHBondContact O-CE1 3.39Å; S556-Y700 WeakPolarHBondContact O-CD1 3.4Å; M687-Y700 VanDerWaalsContact CE-C 3.42Å; M687-Y700 WeakPolarHBondContact CE-O 3.36Å; C698-Y700 VanDerWaalsContact C-N 3.35Å; C698-Y700 WeakPolarHBondContact O-CD2 3.41Å; C698-Y700 VanDerWaalsContact O-CE2 3.28Å; C698-Y700 WeakPolarHBondContact O-CE2 3.38Å
701	E	92.3	Very high	79.8	Confident	72 Å²	72	79 Å²	79	34%	0.336	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.7	177.4	-174.5	-174.4	-164.4	0	0	109.2	N536 M687 R688 L699 V703	N536-E701 VanDerWaalsContact OD1-CA 3.28Å; N536-E701 WeakPolarHBondContact OD1-CA 3.19Å; M687-E701 CarbonylContact C-O 3.59Å; M687-E701 WeakPolarHBondContact CA-O 3Å; R688-E701 HydrophobicContact CB-CB 4.22Å; R688-E701 WeakPolarHBondContact CB-O 3.47Å; R688-E701 WeakPolarHBondContact CD-OE2 3.28Å; R688-E701 IonicContact CZ-OE2 2.63Å; R688-E701 PolarHBondContact N-O 2.93Å; R688-E701 IonicContact NE-OE2 2.65Å; R688-E701 IonicContact NH1-OE2 2.82Å; R688-E701 PolarHBondContact NH1-OE2 2.94Å; L699-E701 PolarHBondContact O-N 3.38Å; E701-V703 HydrophobicContact CG-CG1 4.1Å
702	A	93.6	Very high	79.4	Confident	18 Å²	18	76.4 Å²	76.4	15%	0.149	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.7	173.4	0	0	0	0	0	109.8	N536 Y561 M687	N536-A702 PolarHBondContact OD1-N 3.39Å; Y561-A702 HydrophobicContact CD1-CB 4.48Å; Y561-A702 HydrophobicContact CD2-CB 3.87Å; Y561-A702 HydrophobicContact CE1-CB 4.17Å; Y561-A702 HydrophobicContact CE2-CB 3.53Å; Y561-A702 HydrophobicContact CG-CB 4.32Å; M687-A702 HydrophobicContact SD-CB 4.11Å
703	V	93.1	Very high	79.4	Confident	43 Å²	43	72.9 Å²	72.9	26%	0.261	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	153	179.9	-63.7	0	0	0	0	110.8	L685 T686 R688 E701 G705	L685-V703 WeakPolarHBondContact CA-O 2.83Å; T686-V703 HydrophobicContact CG2-CG2 3.95Å; T686-V703 PolarHBondContact N-O 3.43Å; T686-V703 WeakPolarHBondContact O-CG2 2.94Å; T686-V703 PolarHBondContact O-N 3.42Å; R688-V703 HydrophobicContact CB-CG1 4.22Å; R688-V703 HydrophobicContact CB-CG2 4.11Å; E701-V703 HydrophobicContact CG-CG1 4.1Å; V703-G705 PolarHBondContact O-N 3.27Å
704	N	91	Very high	79.5	Confident	128 Å²	128	66.5 Å²	66.5	68%	0.684	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	129.3	172.1	-74.2	-30.4	0	0	0	109.8	Q683 L685	Q683-N704 PolarHBondContact NE2-OD1 3.28Å; L685-N704 VanDerWaalsContact CD2-OD1 3.23Å; L685-N704 WeakPolarHBondContact CD2-OD1 3.06Å
705	G	87	Confident	79.8	Confident	29 Å²	29	64.8 Å²	64.8	30%	0.299	34%	0.342	S	S	.	.	S	Bend	trans	147.4	179.9	177.1	0	0	0	0	0	114	Y684 L685 V703	Y684-G705 CarbonylContact C-O 3.53Å; Y684-G705 PolarHBondContact O-N 3.27Å; L685-G705 CarbonylContact C-O 3.6Å; V703-G705 PolarHBondContact O-N 3.27Å
706	L	80.4	Confident	80.3	Confident	71 Å²	71	59.1 Å²	59.1	37%	0.372	33%	0.326	S	S	.	.			trans	-121.5	118.8	179.8	-69.2	164.5	0	0	0	107.8	L672 Y684	L672-L706 HydrophobicContact CB-CD2 4.1Å; L672-L706 HydrophobicContact CD1-CD2 3.67Å; L672-L706 HydrophobicContact CD2-CD2 4.05Å; L672-L706 HydrophobicContact CG-CD2 4.13Å; Y684-L706 HydrophobicContact CD1-CD2 3.43Å; Y684-L706 VanDerWaalsContact CD1-CD2 3.43Å; Y684-L706 HydrophobicContact CD1-CG 4.32Å; Y684-L706 HydrophobicContact CE1-CD2 4.21Å; Y684-L706 HydrophobicContact CG-CD2 3.89Å; Y684-L706 HydrophobicContact CG-CG 4.33Å
707	N	73.2	Confident	80.4	Confident	21 Å²	21	60.5 Å²	60.5	11%	0.112	33%	0.332	C	S	.	.			trans	-87.7	115.3	163.8	-170	-15	0	0	0	108	T551 H669 T686 R709	T551-N707 PolarHBondContact OG1-N 2.9Å; H669-N707 PolarHBondContact CE1-O 2.82Å; H669-N707 PolarHBondContact ND1-O 2.88Å; T686-N707 HydrophobicContact CG2-CB 4.4Å; T686-N707 WeakPolarHBondContact OG1-CB 3.37Å; N707-R709 PolarHBondContact OD1-N 3.38Å
708	L	68.1	Low	79.9	Confident	101 Å²	101	59.5 Å²	59.5	53%	0.529	33%	0.33	S	S	.	.			trans	-98.2	2.3	-179.3	-64.8	174.5	0	0	0	113.1	H669	H669-L708 HydrophobicContact CB-CD2 3.9Å; H669-L708 PolarHBondContact CD2-O 3.43Å; H669-L708 VanDerWaalsContact CE1-CA 3.49Å; H669-L708 WeakPolarHBondContact CE1-CA 3.48Å; H669-L708 PolarHBondContact NE2-O 3.16Å; H669-L708 VanDerWaalsContact NE2-O 3.17Å
709	R	67.4	Low	79.7	Confident	189 Å²	189	65.2 Å²	65.2	71%	0.713	36%	0.357	S	S	*	.			trans	-99.3	128.5	-177.3	-62.8	-175.1	-179.7	-175.7	0.6	110.6	N707 E711	N707-R709 PolarHBondContact OD1-N 3.38Å; R709-E711 HydrophobicContact CB-CG 4.24Å; R709-E711 WeakPolarHBondContact CB-OE1 3.32Å; R709-E711 PolarHBondContact O-N 3.29Å
710	S	67.1	Low	79.3	Confident	73 Å²	73	65 Å²	65	51%	0.51	37%	0.371	S	S	.	.			trans	-83.6	99.7	169.3	-179.6	0	0	0	0	109.4
711	E	70.4	Confident	79.2	Confident	38 Å²	38	63.9 Å²	63.9	18%	0.178	37%	0.372	C	S	.	.			trans	-93.9	16.7	-175.6	-62.5	-68.1	165.5	0	0	113.2	P553 V696 R709 I713 S714 T715	P553-E711 HydrophobicContact CB-CB 4.3Å; P553-E711 HydrophobicContact CG-CB 4.03Å; P553-E711 HydrophobicContact CG-CG 4.27Å; V696-E711 HydrophobicContact CG2-CG 4.32Å; V696-E711 WeakPolarHBondContact CG2-OE2 3.38Å; R709-E711 HydrophobicContact CB-CG 4.24Å; R709-E711 WeakPolarHBondContact CB-OE1 3.32Å; R709-E711 PolarHBondContact O-N 3.29Å; E711-I713 VanDerWaalsContact C-N 3.33Å; E711-I713 PolarHBondContact O-N 2.91Å; E711-S714 WeakPolarHBondContact O-CB 3.39Å; E711-S714 PolarHBondContact O-N 3.09Å; E711-S714 VanDerWaalsContact OE2-CB 3.26Å; E711-S714 WeakPolarHBondContact OE2-CB 3.25Å; E711-T715 PolarHBondContact O-N 3.5Å; E711-T715 PolarHBondContact O-OG1 3.41Å
712	A	73	Confident	79	Confident	57 Å²	57	64.1 Å²	64.1	47%	0.471	38%	0.379	S	S	.	.	H	α-helix	trans	-61	-40.9	-176.2	0	0	0	0	0	112.5	T715 A716	A712-T715 PolarHBondContact O-N 3.48Å; A712-A716 WeakPolarHBondContact O-CB 3.26Å; A712-A716 PolarHBondContact O-N 2.96Å
713	I	78.8	Confident	78.7	Confident	32 Å²	32	69.1 Å²	69.1	16%	0.164	40%	0.4	C	S	.	.	H	α-helix	trans	-71.9	-35.9	178.5	-59	165.6	0	0	0	111	E711 T715 A716 N717 T726 A729 L730 K733	E711-I713 VanDerWaalsContact C-N 3.33Å; E711-I713 PolarHBondContact O-N 2.91Å; I713-T715 VanDerWaalsContact C-N 3.34Å; I713-A716 WeakPolarHBondContact O-CB 3.43Å; I713-A716 PolarHBondContact O-N 2.75Å; I713-N717 PolarHBondContact O-N 3.1Å; I713-T726 HydrophobicContact CG2-CG2 4.37Å; I713-T726 WeakPolarHBondContact CG2-O 3.46Å; I713-A729 HydrophobicContact CD1-CB 4.11Å; I713-A729 HydrophobicContact CG1-CB 4.28Å; I713-A729 HydrophobicContact CG2-CB 4.37Å; I713-L730 HydrophobicContact CB-CD2 4.34Å; I713-L730 HydrophobicContact CB-CG 4.5Å; I713-L730 HydrophobicContact CD1-CD2 3.72Å; I713-L730 HydrophobicContact CD1-CG 4.01Å; I713-L730 HydrophobicContact CG2-CD1 4.45Å; I713-L730 HydrophobicContact CG2-CD2 4.29Å; I713-L730 HydrophobicContact CG2-CG 3.93Å; I713-K733 HydrophobicContact CD1-CB 4.28Å; I713-K733 HydrophobicContact CD1-CD 3.91Å
714	S	76.3	Confident	78.7	Confident	25 Å²	25	75.4 Å²	75.4	18%	0.175	42%	0.423	C	S	.	.	H	α-helix	trans	-62.5	-41.9	172.6	-178.3	0	0	0	0	111.5	V696 E711 N717 A718	V696-S714 VanDerWaalsContact CG2-OG 3.28Å; V696-S714 WeakPolarHBondContact CG2-OG 3.42Å; E711-S714 WeakPolarHBondContact O-CB 3.39Å; E711-S714 PolarHBondContact O-N 3.09Å; E711-S714 VanDerWaalsContact OE2-CB 3.26Å; E711-S714 WeakPolarHBondContact OE2-CB 3.25Å; S714-N717 PolarHBondContact O-N 3.09Å; S714-A718 PolarHBondContact O-N 3.37Å
715	T	74.1	Confident	78.6	Confident	35 Å²	35	73.9 Å²	73.9	22%	0.215	41%	0.414	C	S	.	.	H	α-helix	trans	-65	-40.8	175.4	-47.9	0	0	0	0	111.7	E711 A712 I713 A718 I719	E711-T715 PolarHBondContact O-N 3.5Å; E711-T715 PolarHBondContact O-OG1 3.41Å; A712-T715 PolarHBondContact O-N 3.48Å; I713-T715 VanDerWaalsContact C-N 3.34Å; T715-A718 WeakPolarHBondContact O-CB 3.28Å; T715-A718 PolarHBondContact O-N 3.41Å; T715-I719 HydrophobicContact CG2-CD1 4.4Å; T715-I719 PolarHBondContact O-N 2.92Å; T715-I719 VanDerWaalsContact O-N 3.14Å
716	A	79.3	Confident	78.7	Confident	25 Å²	25	72.9 Å²	72.9	21%	0.207	40%	0.402	C	S	.	.	H	α-helix	trans	-60.1	-45	174.7	0	0	0	0	0	112	A712 I713 A718 I719 L721	A712-A716 WeakPolarHBondContact O-CB 3.26Å; A712-A716 PolarHBondContact O-N 2.96Å; I713-A716 WeakPolarHBondContact O-CB 3.43Å; I713-A716 PolarHBondContact O-N 2.75Å; A716-A718 VanDerWaalsContact C-N 3.32Å; A716-A718 PolarHBondContact O-N 3.31Å; A716-I719 PolarHBondContact O-N 3.05Å; A716-L721 HydrophobicContact CB-CD1 3.59Å; A716-L721 WeakPolarHBondContact O-CB 3.45Å; A716-L721 PolarHBondContact O-N 3.26Å
717	N	78.9	Confident	79	Confident	57 Å²	57	74.7 Å²	74.7	31%	0.305	41%	0.409	S	S	.	.	H	α-helix	trans	-60.5	-42.8	174.1	-166.8	19.3	0	0	0	111.1	I713 S714 I719 G720 T726	I713-N717 PolarHBondContact O-N 3.1Å; S714-N717 PolarHBondContact O-N 3.09Å; N717-I719 VanDerWaalsContact C-N 3.32Å; N717-I719 PolarHBondContact O-N 3.48Å; N717-G720 PolarHBondContact O-N 2.89Å; N717-T726 HydrophobicContact CB-CG2 3.88Å
718	A	72.2	Confident	79.9	Confident	41 Å²	41	80.9 Å²	80.9	34%	0.339	43%	0.431	S	S	.	.	H	α-helix	trans	-63.7	-30.6	-179.7	0	0	0	0	0	114.5	S714 T715 A716 G720	S714-A718 PolarHBondContact O-N 3.37Å; T715-A718 WeakPolarHBondContact O-CB 3.28Å; T715-A718 PolarHBondContact O-N 3.41Å; A716-A718 VanDerWaalsContact C-N 3.32Å; A716-A718 PolarHBondContact O-N 3.31Å; A718-G720 PolarHBondContact O-N 3.31Å
719	I	79.7	Confident	80.8	Confident	145 Å²	145	77.8 Å²	77.8	74%	0.744	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.8	175.8	-67.8	169.9	0	0	0	111.7	T715 A716 N717	T715-I719 HydrophobicContact CG2-CD1 4.4Å; T715-I719 PolarHBondContact O-N 2.92Å; T715-I719 VanDerWaalsContact O-N 3.14Å; A716-I719 PolarHBondContact O-N 3.05Å; N717-I719 VanDerWaalsContact C-N 3.32Å; N717-I719 PolarHBondContact O-N 3.48Å
720	G	80.7	Confident	81.6	Confident	60 Å²	60	73 Å²	73	62%	0.619	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	99	20.9	176	0	0	0	0	0	114.5	N717 A718	N717-G720 PolarHBondContact O-N 2.89Å; A718-G720 PolarHBondContact O-N 3.31Å
721	L	86.3	Confident	82.5	Confident	82 Å²	82	72 Å²	72	43%	0.429	40%	0.401	S	S	.	.			trans	-65.4	136.4	168.4	-79.7	165.8	0	0	0	110	A716 E723 T726	A716-L721 HydrophobicContact CB-CD1 3.59Å; A716-L721 WeakPolarHBondContact O-CB 3.45Å; A716-L721 PolarHBondContact O-N 3.26Å; L721-E723 PolarHBondContact O-N 3.27Å; L721-T726 HydrophobicContact CB-CG2 4.23Å
722	P	89	Confident	83.3	Confident	76 Å²	76	73.1 Å²	73.1	49%	0.494	41%	0.408	S	S	.	.			trans	-52.4	134.6	-178.8	-27.9	32.4	0	0	0	113.1	K724 I725 T726	P722-K724 VanDerWaalsContact C-N 3.26Å; P722-K724 PolarHBondContact O-N 3.09Å; P722-I725 HydrophobicContact CB-CD1 4.32Å; P722-I725 HydrophobicContact CB-CG1 4.31Å; P722-I725 HydrophobicContact CG-CD1 4.13Å; P722-I725 WeakPolarHBondContact O-CB 3.37Å; P722-I725 PolarHBondContact O-N 3.48Å; P722-T726 PolarHBondContact O-N 3.29Å
723	E	87.8	Confident	83.6	Confident	124 Å²	124	74.6 Å²	74.6	58%	0.579	40%	0.404	S	S	*	.	H	α-helix	trans	-52.6	-44	-176.3	-172.8	168.5	-154.6	0	0	112	L721 I725 T726 E727	L721-E723 PolarHBondContact O-N 3.27Å; E723-I725 PolarHBondContact O-N 2.99Å; E723-I725 VanDerWaalsContact O-N 3.08Å; E723-T726 WeakPolarHBondContact CA-OG1 3.09Å; E723-T726 WeakPolarHBondContact O-CA 3.39Å; E723-T726 PolarHBondContact O-N 2.96Å; E723-T726 PolarHBondContact O-OG1 3.06Å; E723-E727 HydrophobicContact CG-CG 4.1Å; E723-E727 WeakPolarHBondContact O-CG 3.32Å; E723-E727 PolarHBondContact O-N 3.37Å
724	K	91.2	Very high	83.5	Confident	174 Å²	174	78.2 Å²	78.2	76%	0.757	42%	0.423	S	S	*	.	H	α-helix	trans	-51.9	-34	175.1	-171.5	175.5	-176.8	177.3	0	113.9	P722 R728	P722-K724 VanDerWaalsContact C-N 3.26Å; P722-K724 PolarHBondContact O-N 3.09Å; K724-R728 VanDerWaalsContact O-CB 3.26Å; K724-R728 WeakPolarHBondContact O-CB 3.38Å; K724-R728 PolarHBondContact O-N 3.3Å
725	I	90.6	Very high	83.6	Confident	96 Å²	96	82.7 Å²	82.7	49%	0.492	44%	0.44	S	S	.	.	H	α-helix	trans	-76.3	-43.2	176.4	-61.3	179.5	0	0	0	110	P722 E723 R728 A729	P722-I725 HydrophobicContact CB-CD1 4.32Å; P722-I725 HydrophobicContact CB-CG1 4.31Å; P722-I725 HydrophobicContact CG-CD1 4.13Å; P722-I725 WeakPolarHBondContact O-CB 3.37Å; P722-I725 PolarHBondContact O-N 3.48Å; E723-I725 PolarHBondContact O-N 2.99Å; E723-I725 VanDerWaalsContact O-N 3.08Å; I725-R728 PolarHBondContact O-N 3.43Å; I725-A729 WeakPolarHBondContact O-CB 3.33Å; I725-A729 PolarHBondContact O-N 3.29Å
726	T	87.6	Confident	83.6	Confident	8 Å²	8	86.5 Å²	86.5	5%	0.049	46%	0.458	C	S	.	.	H	α-helix	trans	-68.8	-40.4	-178.8	65.1	0	0	0	0	112.7	I713 N717 L721 P722 E723 A729 L730	I713-T726 HydrophobicContact CG2-CG2 4.37Å; I713-T726 WeakPolarHBondContact CG2-O 3.46Å; N717-T726 HydrophobicContact CB-CG2 3.88Å; L721-T726 HydrophobicContact CB-CG2 4.23Å; P722-T726 PolarHBondContact O-N 3.29Å; E723-T726 WeakPolarHBondContact CA-OG1 3.09Å; E723-T726 WeakPolarHBondContact O-CA 3.39Å; E723-T726 PolarHBondContact O-N 2.96Å; E723-T726 PolarHBondContact O-OG1 3.06Å; T726-A729 WeakPolarHBondContact O-CB 3.3Å; T726-A729 PolarHBondContact O-N 3.43Å; T726-L730 WeakPolarHBondContact O-CG 2.97Å; T726-L730 PolarHBondContact O-N 3.1Å
727	E	88.3	Confident	83	Confident	110 Å²	110	89.9 Å²	89.9	51%	0.514	48%	0.481	S	S	.	.	H	α-helix	trans	-61.3	-45.4	171.5	-70	-177.9	151.6	0	0	111.1	E723 A729 L730 S731	E723-E727 HydrophobicContact CG-CG 4.1Å; E723-E727 WeakPolarHBondContact O-CG 3.32Å; E723-E727 PolarHBondContact O-N 3.37Å; E727-A729 VanDerWaalsContact C-N 3.31Å; E727-A729 PolarHBondContact O-N 3.19Å; E727-L730 PolarHBondContact O-N 3.42Å; E727-S731 PolarHBondContact O-N 3.12Å
728	R	90.9	Very high	82.5	Confident	151 Å²	151	92 Å²	92	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-61.2	-42.7	175.4	-176.9	56.3	176.6	162.7	-5.4	110.9	K724 I725 L730 S731 L732	K724-R728 VanDerWaalsContact O-CB 3.26Å; K724-R728 WeakPolarHBondContact O-CB 3.38Å; K724-R728 PolarHBondContact O-N 3.3Å; I725-R728 PolarHBondContact O-N 3.43Å; R728-L730 VanDerWaalsContact C-N 3.34Å; R728-L730 PolarHBondContact O-N 3.15Å; R728-S731 PolarHBondContact NH1-OG 3.31Å; R728-S731 PolarHBondContact O-N 3.3Å; R728-S731 PolarHBondContact O-OG 3.46Å; R728-L732 HydrophobicContact CG-CD1 4.02Å; R728-L732 HydrophobicContact CG-CG 4.41Å; R728-L732 WeakPolarHBondContact O-CB 3.47Å; R728-L732 VanDerWaalsContact O-CG 3.31Å; R728-L732 WeakPolarHBondContact O-CG 3.16Å; R728-L732 PolarHBondContact O-N 3.28Å
729	A	86.7	Confident	82.1	Confident	36 Å²	36	93.2 Å²	93.2	30%	0.298	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-38.3	176.8	0	0	0	0	0	112.3	I713 I725 T726 E727 L732 K733	I713-A729 HydrophobicContact CD1-CB 4.11Å; I713-A729 HydrophobicContact CG1-CB 4.28Å; I713-A729 HydrophobicContact CG2-CB 4.37Å; I725-A729 WeakPolarHBondContact O-CB 3.33Å; I725-A729 PolarHBondContact O-N 3.29Å; T726-A729 WeakPolarHBondContact O-CB 3.3Å; T726-A729 PolarHBondContact O-N 3.43Å; E727-A729 VanDerWaalsContact C-N 3.31Å; E727-A729 PolarHBondContact O-N 3.19Å; A729-L732 PolarHBondContact O-N 3.11Å; A729-K733 WeakPolarHBondContact O-CB 3.35Å; A729-K733 PolarHBondContact O-N 3.16Å
730	L	85.9	Confident	81	Confident	88 Å²	88	89.7 Å²	89.7	46%	0.461	48%	0.482	S	S	.	.	H	α-helix	trans	-62.5	-49.8	173.1	-75.5	166	0	0	0	110.9	I713 T726 E727 R728 L732 K733 D734	I713-L730 HydrophobicContact CB-CD2 4.34Å; I713-L730 HydrophobicContact CB-CG 4.5Å; I713-L730 HydrophobicContact CD1-CD2 3.72Å; I713-L730 HydrophobicContact CD1-CG 4.01Å; I713-L730 HydrophobicContact CG2-CD1 4.45Å; I713-L730 HydrophobicContact CG2-CD2 4.29Å; I713-L730 HydrophobicContact CG2-CG 3.93Å; T726-L730 WeakPolarHBondContact O-CG 2.97Å; T726-L730 PolarHBondContact O-N 3.1Å; E727-L730 PolarHBondContact O-N 3.42Å; R728-L730 VanDerWaalsContact C-N 3.34Å; R728-L730 PolarHBondContact O-N 3.15Å; L730-L732 VanDerWaalsContact C-N 3.26Å; L730-L732 PolarHBondContact O-N 3.13Å; L730-K733 WeakPolarHBondContact O-CB 3.36Å; L730-K733 PolarHBondContact O-N 3Å; L730-K733 VanDerWaalsContact O-N 3.14Å; L730-D734 PolarHBondContact O-N 2.89Å
731	S	84.7	Confident	79.9	Confident	53 Å²	53	92.7 Å²	92.7	37%	0.371	49%	0.489	S	S	.	.	H	α-helix	trans	-59.3	-37.7	177.3	75.7	0	0	0	0	112.6	E727 R728 F735	E727-S731 PolarHBondContact O-N 3.12Å; R728-S731 PolarHBondContact NH1-OG 3.31Å; R728-S731 PolarHBondContact O-N 3.3Å; R728-S731 PolarHBondContact O-OG 3.46Å; S731-F735 PolarHBondContact O-N 3.29Å
732	L	86.6	Confident	78.5	Confident	61 Å²	61	92.4 Å²	92.4	32%	0.319	49%	0.494	S	S	.	.	H	α-helix	trans	-75	-32.3	178.3	-73.7	174.9	0	0	0	112.4	R728 A729 L730 D734 F735 L736	R728-L732 HydrophobicContact CG-CD1 4.02Å; R728-L732 HydrophobicContact CG-CG 4.41Å; R728-L732 WeakPolarHBondContact O-CB 3.47Å; R728-L732 VanDerWaalsContact O-CG 3.31Å; R728-L732 WeakPolarHBondContact O-CG 3.16Å; R728-L732 PolarHBondContact O-N 3.28Å; A729-L732 PolarHBondContact O-N 3.11Å; L730-L732 VanDerWaalsContact C-N 3.26Å; L730-L732 PolarHBondContact O-N 3.13Å; L732-D734 VanDerWaalsContact C-N 3.35Å; L732-F735 PolarHBondContact O-N 3.08Å; L732-L736 VanDerWaalsContact O-CB 3.25Å; L732-L736 WeakPolarHBondContact O-CB 3.41Å; L732-L736 WeakPolarHBondContact O-CG 3.47Å; L732-L736 PolarHBondContact O-N 3.45Å
733	K	80.2	Confident	76.7	Confident	87 Å²	87	98.2 Å²	98.2	38%	0.378	51%	0.506	S	S	.	.	H	α-helix	trans	-60.3	-47	177.4	176.3	-174.8	170.6	-171.3	0	110.6	I713 A729 L730 L736 S737	I713-K733 HydrophobicContact CD1-CB 4.28Å; I713-K733 HydrophobicContact CD1-CD 3.91Å; A729-K733 WeakPolarHBondContact O-CB 3.35Å; A729-K733 PolarHBondContact O-N 3.16Å; L730-K733 WeakPolarHBondContact O-CB 3.36Å; L730-K733 PolarHBondContact O-N 3Å; L730-K733 VanDerWaalsContact O-N 3.14Å; K733-L736 PolarHBondContact O-N 2.89Å; K733-S737 PolarHBondContact O-N 3.43Å; K733-S737 VanDerWaalsContact O-N 3.08Å
734	D	76.5	Confident	75.2	Confident	108 Å²	108	99.6 Å²	99.6	58%	0.578	51%	0.514	S	S	*	.	H	α-helix	trans	-64.9	-44.9	177.7	-64.9	-23.2	0	0	0	110.3	L730 L732 S737	L730-D734 PolarHBondContact O-N 2.89Å; L732-D734 VanDerWaalsContact C-N 3.35Å; D734-S737 PolarHBondContact O-N 2.99Å; D734-S737 PolarHBondContact O-OG 3.32Å
735	F	77.8	Confident	73.5	Confident	120 Å²	120	99.8 Å²	99.8	53%	0.526	52%	0.515	S	S	.	.	H	α-helix	trans	-57.6	-51.8	174.4	-177.1	-109.6	0	0	0	112.5	S731 L732 S737 T738 I739	S731-F735 PolarHBondContact O-N 3.29Å; L732-F735 PolarHBondContact O-N 3.08Å; F735-S737 VanDerWaalsContact C-N 3.27Å; F735-S737 PolarHBondContact O-N 3.5Å; F735-T738 PolarHBondContact O-N 3.05Å; F735-T738 PolarHBondContact O-OG1 2.82Å; F735-I739 HydrophobicContact CD1-CD1 3.58Å; F735-I739 HydrophobicContact CD1-CG1 4.19Å; F735-I739 HydrophobicContact CE1-CD1 3.23Å; F735-I739 HydrophobicContact CE1-CG1 3.91Å; F735-I739 HydrophobicContact CG-CD1 4.48Å; F735-I739 HydrophobicContact CZ-CD1 3.89Å; F735-I739 HydrophobicContact CZ-CG1 4.12Å; F735-I739 WeakPolarHBondContact O-CG1 3.44Å; F735-I739 PolarHBondContact O-N 3.31Å
736	L	73.9	Confident	71.6	Confident	114 Å²	114	101 Å²	101	60%	0.597	52%	0.523	S	S	*	.	H	α-helix	trans	-62.2	-30.9	-178.5	-74.3	169.5	0	0	0	113	L732 K733 T738 I739	L732-L736 VanDerWaalsContact O-CB 3.25Å; L732-L736 WeakPolarHBondContact O-CB 3.41Å; L732-L736 WeakPolarHBondContact O-CG 3.47Å; L732-L736 PolarHBondContact O-N 3.45Å; K733-L736 PolarHBondContact O-N 2.89Å; L736-T738 PolarHBondContact O-N 3.34Å; L736-I739 HydrophobicContact CD2-CD1 3.94Å; L736-I739 PolarHBondContact O-N 3.42Å
737	S	68.3	Low	69.8	Low	97 Å²	97	110.5 Å²	110.5	68%	0.678	56%	0.558	S	S	*	*	H	α-helix	trans	-64.3	-20.8	175.7	77.8	0	0	0	0	113.3	K733 D734 F735	K733-S737 PolarHBondContact O-N 3.43Å; K733-S737 VanDerWaalsContact O-N 3.08Å; D734-S737 PolarHBondContact O-N 2.99Å; D734-S737 PolarHBondContact O-OG 3.32Å; F735-S737 VanDerWaalsContact C-N 3.27Å; F735-S737 PolarHBondContact O-N 3.5Å
738	T	67.9	Low	68	Low	100 Å²	100	112.9 Å²	112.9	61%	0.613	57%	0.574	S	S	*	*	H	α-helix	trans	-102.8	-12.9	-176.9	64.7	0	0	0	0	114.5	F735 L736 P740	F735-T738 PolarHBondContact O-N 3.05Å; F735-T738 PolarHBondContact O-OG1 2.82Å; L736-T738 PolarHBondContact O-N 3.34Å; T738-P740 WeakPolarHBondContact O-CD 3.47Å
739	I	62.9	Low	65.9	Low	67 Å²	67	114.5 Å²	114.5	34%	0.344	59%	0.585	S	S	.	*			trans	-76.1	118.3	-176.2	-58.3	172.5	0	0	0	110.5	F735 L736 T741	F735-I739 HydrophobicContact CD1-CD1 3.58Å; F735-I739 HydrophobicContact CD1-CG1 4.19Å; F735-I739 HydrophobicContact CE1-CD1 3.23Å; F735-I739 HydrophobicContact CE1-CG1 3.91Å; F735-I739 HydrophobicContact CG-CD1 4.48Å; F735-I739 HydrophobicContact CZ-CD1 3.89Å; F735-I739 HydrophobicContact CZ-CG1 4.12Å; F735-I739 WeakPolarHBondContact O-CG1 3.44Å; F735-I739 PolarHBondContact O-N 3.31Å; L736-I739 HydrophobicContact CD2-CD1 3.94Å; L736-I739 PolarHBondContact O-N 3.42Å; I739-T741 PolarHBondContact O-N 3Å
740	P	57.7	Low	63.6	Low	71 Å²	71	126.6 Å²	126.6	46%	0.461	62%	0.623	S	S	.	*			trans	-71.4	124.1	164.7	-10.3	28.6	0	0	0	108.5	T738 S742 R743	T738-P740 WeakPolarHBondContact O-CD 3.47Å; P740-S742 PolarHBondContact O-N 3.08Å; P740-R743 PolarHBondContact O-N 3.47Å
741	T	57.9	Low	62.5	Low	123 Å²	123	128.6 Å²	128.6	76%	0.755	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-59	-9.1	175.5	38	0	0	0	0	113.6	I739 R743 M744	I739-T741 PolarHBondContact O-N 3Å; T741-R743 VanDerWaalsContact C-N 3.25Å; T741-R743 PolarHBondContact O-N 3.23Å; T741-M744 PolarHBondContact O-N 3.14Å
742	S	56.9	Low	61.4	Low	77 Å²	77	132.5 Å²	132.5	54%	0.538	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-60.4	-29.2	173	61	0	0	0	0	113.6	P740 M744	P740-S742 PolarHBondContact O-N 3.08Å; S742-M744 VanDerWaalsContact C-N 3.32Å; S742-M744 PolarHBondContact O-N 3.45Å
743	R	51.3	Low	60	Low	197 Å²	197	136.5 Å²	136.5	74%	0.743	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-69.5	-23.6	-179.1	-79.6	-174.7	172.6	162.5	-1.1	114.3	P740 T741	P740-R743 PolarHBondContact O-N 3.47Å; T741-R743 VanDerWaalsContact C-N 3.25Å; T741-R743 PolarHBondContact O-N 3.23Å
744	M	55.7	Low	58.8	Low	154 Å²	154	139.4 Å²	139.4	76%	0.759	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-28.4	-180	-81	-175.1	152.6	0	0	113.5	T741 S742 N746 R747	T741-M744 PolarHBondContact O-N 3.14Å; S742-M744 VanDerWaalsContact C-N 3.32Å; S742-M744 PolarHBondContact O-N 3.45Å; M744-N746 PolarHBondContact O-N 2.79Å; M744-N746 VanDerWaalsContact O-N 3.14Å; M744-R747 PolarHBondContact O-N 3.11Å
745	K	54.5	Low	57.7	Low	177 Å²	177	141.4 Å²	141.4	77%	0.77	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-21.5	179.1	-77.6	-172.8	175.3	-177.8	0	113.5
746	N	51	Low	56.3	Low	122 Å²	122	142.8 Å²	142.8	65%	0.652	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-6	-178	-74.8	-8.7	0	0	0	114.6	M744	M744-N746 PolarHBondContact O-N 2.79Å; M744-N746 VanDerWaalsContact O-N 3.14Å
747	R	50.2	Low	55.1	Low	208 Å²	208	144.9 Å²	144.9	79%	0.785	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-85.1	-20.3	-178.7	-92.1	-171.7	175	-176.5	-2.1	115	M744 K749	M744-R747 PolarHBondContact O-N 3.11Å; R747-K749 VanDerWaalsContact C-N 3.25Å; R747-K749 PolarHBondContact O-N 3.48Å
748	N	49.9	Very low	54.1	Low	159 Å²	159	148.5 Å²	148.5	85%	0.85	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-88.4	12.3	173.4	-70.9	2.4	0	0	0	113.2
749	K	47.9	Very low	52.9	Low	186 Å²	186	152.6 Å²	152.6	81%	0.809	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-111.5	7.9	173.7	-84	-169.2	173.8	-173.5	0	113.3	R747	R747-K749 VanDerWaalsContact C-N 3.25Å; R747-K749 PolarHBondContact O-N 3.48Å
750	R	39	Very low	52	Low	290 Å²	290	160.4 Å²	160.4	100%	1.094	75%	0.747	S	S	*	*			trans	-111.4	0	162.2	-74.9	-173.5	177.2	-173	-2	107.3

Retrieved 750 of 750 residues in 810 ms (Link to these results)

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