A0A5K4F6H5_SCHMA Loading...

tRNA (guanine(26)-N(2))-dimethyltransferase

AlphaFold DB , UniProt , Accession A0A5K4F6H5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 594 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	37.2	Very low	31.5	Very low	243 Å²	243	168.5 Å²	168.5	100%	1.197	84%	0.842	S	S	*	*				0	110.8	0	-141.7	176.8	-160.1	0	0	107	M3	M1-M3 PolarHBondContact O-N 3.21Å
2	L	28.1	Very low	31.6	Very low	177 Å²	177	166.3 Å²	166.3	93%	0.927	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-62.9	116.9	176.7	-78.7	149.3	0	0	0	109.2
3	M	31	Very low	31.7	Very low	193 Å²	193	167.2 Å²	167.2	95%	0.951	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-91.6	121.1	165.8	-96.3	-169.1	-179.7	0	0	109.1	M1	M1-M3 PolarHBondContact O-N 3.21Å
4	R	29.8	Very low	32.1	Very low	220 Å²	220	167.1 Å²	167.1	83%	0.83	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-65	136.6	-179.4	-69.8	175.4	174.2	171.9	-3.4	111
5	Y	25.9	Very low	32.5	Very low	218 Å²	218	162.5 Å²	162.5	86%	0.855	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-76.5	125	170.1	-141.1	-99.2	0	0	0	108.3
6	Y	31.6	Very low	33.1	Very low	185 Å²	185	158.2 Å²	158.2	73%	0.725	82%	0.821	S	S	*	*			trans	-100.4	113.3	163.4	-82.6	-88.8	0	0	0	107.1	D8	Y6-D8 PolarHBondContact O-N 3.16Å
7	P	33.2	Very low	34.4	Very low	104 Å²	104	155 Å²	155	68%	0.675	82%	0.816	S	S	*	*			trans	-86	92.6	170.5	32.3	-24.6	0	0	0	107.8	D9	P7-D9 PolarHBondContact O-N 2.86Å
8	D	36.7	Very low	36.5	Very low	145 Å²	145	154.3 Å²	154.3	78%	0.775	81%	0.805	S	S	*	*			trans	-81.7	101.6	163.1	-74.8	-20	0	0	0	108.3	Y6	Y6-D8 PolarHBondContact O-N 3.16Å
9	D	33.7	Very low	38.7	Very low	134 Å²	134	148.8 Å²	148.8	72%	0.717	78%	0.781	S	S	*	*			trans	38.5	113.5	139.4	-78.1	-31.6	0	0	0	120.6	P7	P7-D9 PolarHBondContact O-N 2.86Å
10	L	30.3	Very low	41.2	Very low	160 Å²	160	145.6 Å²	145.6	84%	0.838	77%	0.768	S	S	*	*	S	Bend		38.9	108.3	119.4	-67.8	164.3	0	0	0	117.6
11	G	28.7	Very low	43.6	Very low	75 Å²	75	143.9 Å²	143.9	77%	0.773	75%	0.752	S	S	*	*			trans	75.4	60.4	134.9	0	0	0	0	0	116.3	Q13	G11-Q13 PolarHBondContact O-N 2.81Å
12	T	33.5	Very low	46.1	Very low	141 Å²	141	134 Å²	134	87%	0.865	70%	0.703	S	S	*	*			trans	-79.4	101.6	150.9	46.4	0	0	0	0	108	N14	T12-N14 PolarHBondContact O-N 2.88Å
13	Q	32.4	Very low	49.1	Very low	179 Å²	179	130 Å²	130	84%	0.836	69%	0.686	S	S	*	*			trans	-41.3	137.9	160.2	-64.9	-176.7	-10.3	0	0	109.1	G11 S15	G11-Q13 PolarHBondContact O-N 2.81Å; Q13-S15 VanDerWaalsContact C-N 3.33Å; Q13-S15 PolarHBondContact O-N 3.02Å
14	N	37	Very low	51.8	Low	165 Å²	165	120.9 Å²	120.9	88%	0.882	64%	0.642	S	S	*	*			trans	-42.5	97.8	172.6	-74.9	-31.9	0	0	0	109.6	T12	T12-N14 PolarHBondContact O-N 2.88Å
15	S	37.8	Very low	54.6	Low	98 Å²	98	113.8 Å²	113.8	69%	0.685	62%	0.615	S	S	*	*			trans	-61.4	129.7	166.6	33.8	0	0	0	0	105.4	Q13 S17	Q13-S15 VanDerWaalsContact C-N 3.33Å; Q13-S15 PolarHBondContact O-N 3.02Å; S15-S17 PolarHBondContact O-N 2.81Å
16	P	43.2	Very low	57.8	Low	94 Å²	94	107.4 Å²	107.4	61%	0.61	60%	0.601	S	S	*	*			trans	-55.9	122.5	177.4	21.5	-29.7	0	0	0	106.9	F18	P16-F18 HydrophobicContact CG-CE2 4.16Å; P16-F18 HydrophobicContact CG-CZ 4.33Å; P16-F18 VanDerWaalsContact O-CD2 3.25Å; P16-F18 WeakPolarHBondContact O-CD2 3.3Å; P16-F18 PolarHBondContact O-N 2.96Å
17	S	55.3	Low	60.7	Low	104 Å²	104	98.7 Å²	98.7	73%	0.727	57%	0.567	S	S	*	*			trans	-60.3	107.4	178.2	65.4	0	0	0	0	107	S15 S19	S15-S17 PolarHBondContact O-N 2.81Å; S17-S19 PolarHBondContact O-N 3.43Å
18	F	72.1	Confident	63.7	Low	143 Å²	143	97.1 Å²	97.1	63%	0.627	55%	0.551	S	S	*	*			trans	-68.7	131.5	173.7	-71.2	-89	0	0	0	106.7	P16 D33	P16-F18 HydrophobicContact CG-CE2 4.16Å; P16-F18 HydrophobicContact CG-CZ 4.33Å; P16-F18 VanDerWaalsContact O-CD2 3.25Å; P16-F18 WeakPolarHBondContact O-CD2 3.3Å; P16-F18 PolarHBondContact O-N 2.96Å; F18-D33 WeakPolarHBondContact CB-OD2 3.37Å; F18-D33 PolarHBondContact N-OD2 2.83Å; F18-D33 PolarHBondContact O-N 3.12Å
19	S	78	Confident	66.4	Low	49 Å²	49	90.2 Å²	90.2	34%	0.343	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.6	173.5	58.6	0	0	0	0	107.3	S17 L31	S17-S19 PolarHBondContact O-N 3.43Å; S19-L31 WeakPolarHBondContact CA-O 3.41Å
20	T	89	Confident	69.2	Low	85 Å²	85	85.1 Å²	85.1	52%	0.521	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.5	175.9	-58.1	0	0	0	0	109	L31	T20-L31 PolarHBondContact N-O 3.3Å; T20-L31 PolarHBondContact O-N 3.06Å
21	Y	91	Very high	72	Confident	109 Å²	109	78 Å²	78	43%	0.427	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134.5	169.3	-72.2	-89.2	0	0	0	109.8	E28 V29 M30 H126	Y21-E28 HydrophobicContact CD1-CG 3.89Å; Y21-E28 HydrophobicContact CG-CG 4.44Å; Y21-V29 WeakPolarHBondContact CA-O 3.44Å; Y21-M30 HydrophobicContact CD1-CB 4.09Å; Y21-M30 HydrophobicContact CE1-CB 3.71Å; Y21-M30 HydrophobicContact CE1-CG 4.16Å; Y21-H126 AromaticContact CE1-CE1 3.67Å; Y21-H126 AromaticContact CE1-NE2 3.83Å
22	I	90.4	Very high	74.9	Confident	35 Å²	35	76.7 Å²	76.7	18%	0.179	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.5	172.2	-60	-164.3	0	0	0	108.2	Q24 E28 V29 L31 Y37	I22-Q24 HydrophobicContact CG2-CG 4.08Å; I22-E28 WeakPolarHBondContact O-CA 3.42Å; I22-V29 HydrophobicContact CB-CG2 4.3Å; I22-V29 PolarHBondContact N-O 2.88Å; I22-V29 PolarHBondContact O-N 3.17Å; I22-L31 HydrophobicContact CD1-CD1 3.3Å; I22-L31 HydrophobicContact CD1-CG 4.44Å; I22-L31 HydrophobicContact CG1-CD1 3.81Å; I22-Y37 HydrophobicContact CD1-CD1 3.3Å; I22-Y37 HydrophobicContact CD1-CD2 4.14Å; I22-Y37 HydrophobicContact CD1-CE1 3.39Å; I22-Y37 HydrophobicContact CD1-CE2 4.22Å; I22-Y37 HydrophobicContact CD1-CG 3.69Å; I22-Y37 HydrophobicContact CG2-CE1 4.14Å; I22-Y37 HydrophobicContact CG2-CE2 4.42Å
23	V	90.8	Very high	77.1	Confident	94 Å²	94	74.9 Å²	74.9	57%	0.57	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	125	171.5	-177.4	0	0	0	0	108.7	A27 E28	V23-A27 CarbonylContact C-O 3.29Å; V23-A27 WeakPolarHBondContact CA-O 3.27Å; V23-E28 HydrophobicContact CG2-CB 4.18Å; V23-E28 HydrophobicContact CG2-CG 3.87Å
24	Q	87.3	Confident	79.3	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.009	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	109.9	167.6	-70.6	-153.3	-52.4	0	0	109.2	I22 C26 A27 Y37 E42 R45 I92	I22-Q24 HydrophobicContact CG2-CG 4.08Å; Q24-C26 PolarHBondContact O-N 2.82Å; Q24-C26 VanDerWaalsContact O-N 3.14Å; Q24-A27 PolarHBondContact N-O 3.18Å; Q24-A27 PolarHBondContact O-N 2.75Å; Q24-Y37 PolarHBondContact NE2-OH 3.41Å; Q24-E42 PolarHBondContact NE2-OE2 3.45Å; Q24-R45 VanDerWaalsContact CD-NH2 3.26Å; Q24-I92 HydrophobicContact CB-CD1 4.22Å; Q24-I92 HydrophobicContact CG-CD1 3.89Å
25	R	88.9	Confident	81.4	Confident	71 Å²	71	65.3 Å²	65.3	27%	0.268	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	-120.1	179.5	-61.5	-72.8	-61.3	-161.7	0.5	109.2	E100 N385 H388	R25-E100 WeakPolarHBondContact CB-OE1 3.25Å; R25-N385 VanDerWaalsContact NH2-CG 3.31Å; R25-N385 PolarHBondContact NH2-OD1 3.31Å; R25-H388 PolarHBondContact NH1-CE1 3.13Å; R25-H388 VanDerWaalsContact NH1-CE1 3.3Å; R25-H388 PolarHBondContact NH1-ND1 2.73Å
26	C	92.5	Very high	83.2	Confident	84 Å²	84	63.2 Å²	63.2	57%	0.568	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.2	-178.3	-62.2	0	0	0	0	113.3	Q24 L99 E100	Q24-C26 PolarHBondContact O-N 2.82Å; Q24-C26 VanDerWaalsContact O-N 3.14Å; C26-L99 HydrophobicContact CB-CB 4.1Å; C26-L99 HydrophobicContact CB-CD1 4.17Å; C26-L99 VanDerWaalsContact O-CD1 3.25Å; C26-L99 WeakPolarHBondContact O-CD1 3.31Å; C26-E100 HydrophobicContact CB-CG 4.05Å
27	A	94.2	Very high	85	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.008	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.4	-177.6	0	0	0	0	0	111.8	V23 Q24 V95 R96 L99	V23-A27 CarbonylContact C-O 3.29Å; V23-A27 WeakPolarHBondContact CA-O 3.27Å; Q24-A27 PolarHBondContact N-O 3.18Å; Q24-A27 PolarHBondContact O-N 2.75Å; A27-V95 HydrophobicContact CB-CB 4.42Å; A27-V95 HydrophobicContact CB-CG1 3.66Å; A27-R96 HydrophobicContact CB-CG 3.39Å; A27-L99 HydrophobicContact CB-CD1 4.18Å
28	E	95.3	Very high	86.3	Confident	71 Å²	71	55.9 Å²	55.9	33%	0.332	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.2	167.9	-178.8	177	-127.7	0	0	108.9	Y21 I22 V23 H126 N127	Y21-E28 HydrophobicContact CD1-CG 3.89Å; Y21-E28 HydrophobicContact CG-CG 4.44Å; I22-E28 WeakPolarHBondContact O-CA 3.42Å; V23-E28 HydrophobicContact CG2-CB 4.18Å; V23-E28 HydrophobicContact CG2-CG 3.87Å; E28-H126 PolarHBondContact O-CD2 3.46Å; E28-H126 VanDerWaalsContact O-CD2 3.29Å; E28-H126 IonicContact OE2-CD2 2.79Å; E28-H126 IonicContact OE2-CE1 3.97Å; E28-H126 IonicContact OE2-NE2 2.9Å; E28-H126 PolarHBondContact OE2-NE2 3.03Å; E28-N127 PolarHBondContact N-OD1 3.12Å; E28-N127 PolarHBondContact O-ND2 3.41Å; E28-N127 PolarHBondContact O-OD1 3Å
29	V	93.4	Very high	86.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.3	-179.3	-63.2	0	0	0	0	111.2	Y21 I22 I92 N123	Y21-V29 WeakPolarHBondContact CA-O 3.44Å; I22-V29 HydrophobicContact CB-CG2 4.3Å; I22-V29 PolarHBondContact N-O 2.88Å; I22-V29 PolarHBondContact O-N 3.17Å; V29-I92 HydrophobicContact CG1-CB 4Å; V29-I92 HydrophobicContact CG1-CG1 3.95Å; V29-I92 HydrophobicContact CG2-CB 4.18Å; V29-I92 HydrophobicContact CG2-CD1 3.67Å; V29-I92 HydrophobicContact CG2-CG1 3.98Å; V29-N123 HydrophobicContact CB-CB 4.47Å; V29-N123 HydrophobicContact CG1-CB 4.13Å
30	M	91.8	Very high	87.2	Confident	28 Å²	28	50.9 Å²	50.9	14%	0.138	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	134.2	168.9	-171.9	-167.1	67.2	0	0	108.8	Y21 P32 L119 K122 N123	Y21-M30 HydrophobicContact CD1-CB 4.09Å; Y21-M30 HydrophobicContact CE1-CB 3.71Å; Y21-M30 HydrophobicContact CE1-CG 4.16Å; M30-P32 HydrophobicContact CE-CG 4.45Å; M30-L119 HydrophobicContact CE-CD1 3.75Å; M30-L119 WeakPolarHBondContact O-CD1 3.33Å; M30-K122 HydrophobicContact CE-CB 4.37Å; M30-K122 HydrophobicContact CE-CD 3.68Å; M30-N123 PolarHBondContact N-OD1 2.76Å; M30-N123 PolarHBondContact O-ND2 2.91Å; M30-N123 PolarHBondContact O-OD1 2.75Å
31	L	90	Very high	87.2	Confident	11 Å²	11	47.7 Å²	47.7	6%	0.058	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115.6	170.6	-65.8	-180	0	0	0	109.6	S19 T20 I22 V35 Y37 L119	S19-L31 WeakPolarHBondContact CA-O 3.41Å; T20-L31 PolarHBondContact N-O 3.3Å; T20-L31 PolarHBondContact O-N 3.06Å; I22-L31 HydrophobicContact CD1-CD1 3.3Å; I22-L31 HydrophobicContact CD1-CG 4.44Å; I22-L31 HydrophobicContact CG1-CD1 3.81Å; L31-V35 HydrophobicContact CD2-CG1 4.17Å; L31-Y37 HydrophobicContact CD1-CD2 3.98Å; L31-Y37 HydrophobicContact CD1-CG 3.78Å; L31-L119 HydrophobicContact CD2-CD2 4.45Å
32	P	88.6	Confident	87.2	Confident	47 Å²	47	45.6 Å²	45.6	31%	0.305	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	151.3	169.3	-19.8	29.3	0	0	0	111.7	M30 G34 V35 L119	M30-P32 HydrophobicContact CE-CG 4.45Å; P32-G34 PolarHBondContact O-N 2.78Å; P32-V35 HydrophobicContact CB-CG2 3.93Å; P32-V35 HydrophobicContact CG-CG2 4.04Å; P32-V35 WeakPolarHBondContact O-CB 3.07Å; P32-V35 WeakPolarHBondContact O-CG2 3.47Å; P32-V35 PolarHBondContact O-N 3.24Å; P32-V35 VanDerWaalsContact O-N 3.11Å; P32-L119 HydrophobicContact CG-CD1 4.01Å
33	D	81.2	Confident	87.3	Confident	103 Å²	103	44.1 Å²	44.1	55%	0.551	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	135.5	172.9	-76.6	-23	0	0	0	112.3	F18 V35	F18-D33 WeakPolarHBondContact CB-OD2 3.37Å; F18-D33 PolarHBondContact N-OD2 2.83Å; F18-D33 PolarHBondContact O-N 3.12Å; D33-V35 VanDerWaalsContact C-N 3.26Å; D33-V35 PolarHBondContact O-N 3.37Å
34	G	77.9	Confident	87.5	Confident	79 Å²	79	39.7 Å²	39.7	81%	0.814	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	-8.1	-179	0	0	0	0	0	115.3	P32	P32-G34 PolarHBondContact O-N 2.78Å
35	V	80.2	Confident	87.9	Confident	63 Å²	63	40.2 Å²	40.2	38%	0.382	23%	0.232	S	C	.	.			trans	-70.5	133.6	172.1	176.7	0	0	0	0	110	L31 P32 D33 Y37 L119	L31-V35 HydrophobicContact CD2-CG1 4.17Å; P32-V35 HydrophobicContact CB-CG2 3.93Å; P32-V35 HydrophobicContact CG-CG2 4.04Å; P32-V35 WeakPolarHBondContact O-CB 3.07Å; P32-V35 WeakPolarHBondContact O-CG2 3.47Å; P32-V35 PolarHBondContact O-N 3.24Å; P32-V35 VanDerWaalsContact O-N 3.11Å; D33-V35 VanDerWaalsContact C-N 3.26Å; D33-V35 PolarHBondContact O-N 3.37Å; V35-Y37 PolarHBondContact O-N 3.02Å; V35-L119 HydrophobicContact CG1-CD2 4.13Å
36	F	75.7	Confident	88.2	Confident	55 Å²	55	37.4 Å²	37.4	24%	0.241	22%	0.222	C	C	.	.			trans	-69.1	124.5	-178.8	179.4	-81.6	0	0	0	111.3	N38 F162 K584 P587	F36-N38 HydrophobicContact CE1-CB 3.83Å; F36-N38 HydrophobicContact CZ-CB 4.07Å; F36-F162 AromaticContact CD1-CE1 3.86Å; F36-F162 HydrophobicContact CD1-CE1 3.86Å; F36-F162 AromaticContact CD1-CZ 3.52Å; F36-F162 HydrophobicContact CD1-CZ 3.52Å; F36-F162 AromaticContact CE1-CE1 3.4Å; F36-F162 HydrophobicContact CE1-CE1 3.4Å; F36-F162 VanDerWaalsContact CE1-CE1 3.4Å; F36-F162 AromaticContact CE1-CZ 3.56Å; F36-F162 HydrophobicContact CE1-CZ 3.56Å; F36-F162 HydrophobicContact CE2-CE1 4.17Å; F36-F162 HydrophobicContact CG-CE1 4.47Å; F36-F162 HydrophobicContact CG-CZ 4.12Å; F36-F162 AromaticContact CZ-CE1 3.57Å; F36-F162 HydrophobicContact CZ-CE1 3.57Å; F36-F162 HydrophobicContact CZ-CZ 4.12Å; F36-K584 HydrophobicContact CD2-CB 4.27Å; F36-K584 HydrophobicContact CE2-CB 3.23Å; F36-K584 HydrophobicContact CE2-CD 4.13Å; F36-K584 HydrophobicContact CE2-CG 4.3Å; F36-K584 HydrophobicContact CZ-CB 3.67Å; F36-K584 HydrophobicContact CZ-CD 4.44Å; F36-P587 HydrophobicContact CB-CG 4Å
37	Y	81.5	Confident	88.4	Confident	33 Å²	33	33.5 Å²	33.5	13%	0.129	20%	0.195	C	C	.	.			trans	-135.1	134.8	164.5	179.4	-98.4	0	0	0	110.8	I22 Q24 L31 V35 P39 R45 I92 K584	I22-Y37 HydrophobicContact CD1-CD1 3.3Å; I22-Y37 HydrophobicContact CD1-CD2 4.14Å; I22-Y37 HydrophobicContact CD1-CE1 3.39Å; I22-Y37 HydrophobicContact CD1-CE2 4.22Å; I22-Y37 HydrophobicContact CD1-CG 3.69Å; I22-Y37 HydrophobicContact CG2-CE1 4.14Å; I22-Y37 HydrophobicContact CG2-CE2 4.42Å; Q24-Y37 PolarHBondContact NE2-OH 3.41Å; L31-Y37 HydrophobicContact CD1-CD2 3.98Å; L31-Y37 HydrophobicContact CD1-CG 3.78Å; V35-Y37 PolarHBondContact O-N 3.02Å; Y37-P39 HydrophobicContact CD1-CG 4.01Å; Y37-P39 HydrophobicContact CE1-CB 4.2Å; Y37-P39 HydrophobicContact CE1-CG 3.86Å; Y37-R45 PolarHBondContact OH-NH2 3.48Å; Y37-I92 HydrophobicContact CE2-CD1 3.97Å; Y37-K584 PolarHBondContact O-NZ 3.28Å; Y37-K584 VanDerWaalsContact O-NZ 3.13Å
38	N	83.3	Confident	88.6	Confident	10 Å²	10	33.4 Å²	33.4	5%	0.053	20%	0.195	C	C	.	.			trans	-113.4	104.7	176.3	-168.5	-2.9	0	0	0	110	F36 V40 Q41 F247	F36-N38 HydrophobicContact CE1-CB 3.83Å; F36-N38 HydrophobicContact CZ-CB 4.07Å; N38-V40 PolarHBondContact O-N 3.05Å; N38-V40 WeakPolarHBondContact OD1-CB 3.46Å; N38-V40 WeakPolarHBondContact OD1-CG2 3.41Å; N38-V40 PolarHBondContact OD1-N 3.41Å; N38-Q41 HydrophobicContact CB-CG 4Å; N38-Q41 WeakPolarHBondContact O-CB 3.24Å; N38-Q41 PolarHBondContact O-N 2.87Å; N38-Q41 VanDerWaalsContact O-N 3.08Å; N38-F247 VanDerWaalsContact ND2-CZ 3.26Å; N38-F247 WeakPolarHBondContact ND2-CZ 3.33Å
39	P	84.2	Confident	88.7	Confident	71 Å²	71	30.4 Å²	30.4	46%	0.461	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-55.5	-31.5	176.1	-25.6	33.9	0	0	0	113.1	Y37 Q41 E42	Y37-P39 HydrophobicContact CD1-CG 4.01Å; Y37-P39 HydrophobicContact CE1-CB 4.2Å; Y37-P39 HydrophobicContact CE1-CG 3.86Å; P39-Q41 PolarHBondContact O-N 3.27Å; P39-Q41 VanDerWaalsContact O-N 3.15Å; P39-E42 WeakPolarHBondContact O-CB 3.46Å; P39-E42 PolarHBondContact O-N 2.81Å
40	V	83.3	Confident	88.9	Confident	16 Å²	16	31.2 Å²	31.2	10%	0.097	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-63.2	-24.3	179.8	-172.3	0	0	0	0	113.3	N38 E42 F247 W581	N38-V40 PolarHBondContact O-N 3.05Å; N38-V40 WeakPolarHBondContact OD1-CB 3.46Å; N38-V40 WeakPolarHBondContact OD1-CG2 3.41Å; N38-V40 PolarHBondContact OD1-N 3.41Å; V40-E42 PolarHBondContact O-N 3.29Å; V40-F247 HydrophobicContact CB-CE1 3.86Å; V40-F247 HydrophobicContact CB-CZ 4.17Å; V40-F247 HydrophobicContact CG1-CD1 4.49Å; V40-F247 HydrophobicContact CG1-CE1 3.49Å; V40-F247 VanDerWaalsContact CG1-CE1 3.49Å; V40-F247 HydrophobicContact CG1-CZ 4.1Å; V40-F247 HydrophobicContact CG2-CE1 4.45Å; V40-W581 HydrophobicContact CB-CH2 3.92Å; V40-W581 HydrophobicContact CB-CZ2 3.98Å; V40-W581 HydrophobicContact CB-CZ3 4.29Å; V40-W581 HydrophobicContact CG1-CD2 4.31Å; V40-W581 HydrophobicContact CG1-CH2 3.57Å; V40-W581 HydrophobicContact CG1-CZ2 3.13Å; V40-W581 HydrophobicContact CG1-CZ3 4.31Å; V40-W581 HydrophobicContact CG2-CD2 3.85Å; V40-W581 HydrophobicContact CG2-CE3 3.51Å; V40-W581 HydrophobicContact CG2-CH2 3.35Å; V40-W581 HydrophobicContact CG2-CZ2 3.72Å; V40-W581 HydrophobicContact CG2-CZ3 3.23Å
41	Q	89.3	Confident	89.2	Confident	19 Å²	19	29.9 Å²	29.9	9%	0.089	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-75.9	0.4	176.9	-68.3	-74.1	6.7	0	0	112.9	N38 P39 F43 N44 R45 F247	N38-Q41 HydrophobicContact CB-CG 4Å; N38-Q41 WeakPolarHBondContact O-CB 3.24Å; N38-Q41 PolarHBondContact O-N 2.87Å; N38-Q41 VanDerWaalsContact O-N 3.08Å; P39-Q41 PolarHBondContact O-N 3.27Å; P39-Q41 VanDerWaalsContact O-N 3.15Å; Q41-F43 VanDerWaalsContact C-N 3.32Å; Q41-F43 PolarHBondContact O-N 3.38Å; Q41-N44 WeakPolarHBondContact O-CB 3.42Å; Q41-N44 PolarHBondContact O-N 3.15Å; Q41-N44 VanDerWaalsContact OE1-CB 3.24Å; Q41-N44 PolarHBondContact OE1-ND2 3.1Å; Q41-N44 VanDerWaalsContact OE1-ND2 3.07Å; Q41-R45 PolarHBondContact O-N 3.33Å; Q41-R45 VanDerWaalsContact O-N 3.1Å; Q41-R45 PolarHBondContact O-NH1 3.01Å; Q41-F247 HydrophobicContact CG-CZ 4.5Å
42	E	92.1	Very high	89.6	Confident	65 Å²	65	29.4 Å²	29.4	30%	0.304	18%	0.179	S	C	.	.	H	α-helix	trans	-57.1	-45.4	173	-178.2	163.5	149.5	0	0	111.9	Q24 P39 V40 N44 R45 D46 T390	Q24-E42 PolarHBondContact NE2-OE2 3.45Å; P39-E42 WeakPolarHBondContact O-CB 3.46Å; P39-E42 PolarHBondContact O-N 2.81Å; V40-E42 PolarHBondContact O-N 3.29Å; E42-N44 VanDerWaalsContact C-N 3.29Å; E42-N44 PolarHBondContact O-N 3.17Å; E42-R45 PolarHBondContact O-N 3.45Å; E42-R45 VanDerWaalsContact O-N 3.12Å; E42-D46 PolarHBondContact O-N 3.44Å; E42-T390 HydrophobicContact CG-CG2 4.02Å
43	F	92.3	Very high	90.1	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-57.4	-42.4	176	175.6	-93.1	0	0	0	112	Q41 R45 D46 L47 V245 Y248 T390 R393 I394 M397	Q41-F43 VanDerWaalsContact C-N 3.32Å; Q41-F43 PolarHBondContact O-N 3.38Å; F43-R45 VanDerWaalsContact C-N 3.34Å; F43-R45 PolarHBondContact O-N 3.43Å; F43-D46 PolarHBondContact O-N 3.05Å; F43-L47 HydrophobicContact CE1-CD2 3.95Å; F43-L47 HydrophobicContact CZ-CD2 4.32Å; F43-L47 WeakPolarHBondContact O-CB 3.44Å; F43-L47 PolarHBondContact O-N 3.37Å; F43-V245 HydrophobicContact CD1-CG1 3.62Å; F43-V245 HydrophobicContact CD1-CG2 4.48Å; F43-V245 HydrophobicContact CE1-CB 4.44Å; F43-V245 HydrophobicContact CE1-CG1 3.66Å; F43-V245 HydrophobicContact CE1-CG2 3.88Å; F43-Y248 WeakPolarHBondContact CD1-OH 3.37Å; F43-T390 HydrophobicContact CB-CG2 4.27Å; F43-R393 HydrophobicContact CD2-CB 4.08Å; F43-R393 HydrophobicContact CD2-CG 3.87Å; F43-R393 HydrophobicContact CE2-CB 3.86Å; F43-R393 HydrophobicContact CE2-CG 3.51Å; F43-R393 HydrophobicContact CZ-CG 4.26Å; F43-I394 HydrophobicContact CD2-CG1 3.94Å; F43-I394 HydrophobicContact CE2-CB 4.3Å; F43-I394 HydrophobicContact CE2-CG1 3.45Å; F43-I394 VanDerWaalsContact CE2-CG1 3.45Å; F43-I394 HydrophobicContact CZ-CG1 4.15Å; F43-M397 HydrophobicContact CE1-SD 4.02Å; F43-M397 HydrophobicContact CE2-SD 4.27Å; F43-M397 HydrophobicContact CZ-CG 4.43Å; F43-M397 HydrophobicContact CZ-SD 3.53Å; F43-M397 VanDerWaalsContact CZ-SD 3.53Å
44	N	94.9	Very high	90.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61	-44.9	177.8	-167.9	0.6	0	0	0	111.1	Q41 E42 T48 T185 Y248 R250	Q41-N44 WeakPolarHBondContact O-CB 3.42Å; Q41-N44 PolarHBondContact O-N 3.15Å; Q41-N44 VanDerWaalsContact OE1-CB 3.24Å; Q41-N44 PolarHBondContact OE1-ND2 3.1Å; Q41-N44 VanDerWaalsContact OE1-ND2 3.07Å; E42-N44 VanDerWaalsContact C-N 3.29Å; E42-N44 PolarHBondContact O-N 3.17Å; N44-T48 WeakPolarHBondContact O-CB 3.41Å; N44-T48 PolarHBondContact O-N 3.07Å; N44-T48 PolarHBondContact O-OG1 3.39Å; N44-T185 PolarHBondContact ND2-OG1 3.47Å; N44-Y248 HydrophobicContact CB-CE2 3.91Å; N44-Y248 WeakPolarHBondContact CB-OH 3.28Å; N44-Y248 PolarHBondContact N-OH 3.34Å; N44-R250 VanDerWaalsContact OD1-CD 3.23Å; N44-R250 WeakPolarHBondContact OD1-CD 3.3Å; N44-R250 PolarHBondContact OD1-NE 3.34Å; N44-R250 VanDerWaalsContact OD1-NE 3.14Å
45	R	95.4	Very high	91.8	Very high	13 Å²	13	20.6 Å²	20.6	5%	0.049	11%	0.11	C	C	.	.	H	α-helix	trans	-65.1	-49.2	178.8	-67.8	-176.2	-67.1	-89.1	3.7	111.2	Q24 Y37 Q41 E42 F43 L47 T48 I49 R93	Q24-R45 VanDerWaalsContact CD-NH2 3.26Å; Y37-R45 PolarHBondContact OH-NH2 3.48Å; Q41-R45 PolarHBondContact O-N 3.33Å; Q41-R45 VanDerWaalsContact O-N 3.1Å; Q41-R45 PolarHBondContact O-NH1 3.01Å; E42-R45 PolarHBondContact O-N 3.45Å; E42-R45 VanDerWaalsContact O-N 3.12Å; F43-R45 VanDerWaalsContact C-N 3.34Å; F43-R45 PolarHBondContact O-N 3.43Å; R45-L47 PolarHBondContact O-N 3.12Å; R45-T48 WeakPolarHBondContact O-CB 3.5Å; R45-T48 PolarHBondContact O-N 3.26Å; R45-T48 VanDerWaalsContact O-N 3.12Å; R45-I49 WeakPolarHBondContact O-CG1 3.28Å; R45-I49 PolarHBondContact O-N 3.36Å; R45-R93 HydrophobicContact CG-CB 4.48Å
46	D	95.4	Very high	92.6	Very high	13 Å²	13	18.3 Å²	18.3	7%	0.07	10%	0.099	C	C	.	.	H	α-helix	trans	-59.1	-45.8	177.7	-68.9	-23.1	0	0	0	112.3	E42 F43 T48 I49 A50 R96 T390 I394	E42-D46 PolarHBondContact O-N 3.44Å; F43-D46 PolarHBondContact O-N 3.05Å; D46-T48 VanDerWaalsContact C-N 3.29Å; D46-T48 PolarHBondContact O-N 3.33Å; D46-I49 PolarHBondContact O-N 2.97Å; D46-A50 WeakPolarHBondContact O-CB 3.43Å; D46-A50 PolarHBondContact O-N 3.34Å; D46-R96 IonicContact OD1-CZ 2.86Å; D46-R96 IonicContact OD1-NH1 2.77Å; D46-R96 PolarHBondContact OD1-NH1 2.78Å; D46-R96 IonicContact OD1-NH2 3.72Å; D46-R96 PolarHBondContact OD1-NH2 2.88Å; D46-T390 WeakPolarHBondContact OD2-CB 3.21Å; D46-T390 WeakPolarHBondContact OD2-CG2 3.5Å; D46-T390 PolarHBondContact OD2-OG1 3.02Å; D46-I394 HydrophobicContact CB-CD1 3.73Å
47	L	96.7	Very high	93.5	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-42.2	176.2	178	63.8	0	0	0	111.1	F43 R45 A50 V51 L241 L243 R250 F252 F335 I394	F43-L47 HydrophobicContact CE1-CD2 3.95Å; F43-L47 HydrophobicContact CZ-CD2 4.32Å; F43-L47 WeakPolarHBondContact O-CB 3.44Å; F43-L47 PolarHBondContact O-N 3.37Å; R45-L47 PolarHBondContact O-N 3.12Å; L47-A50 PolarHBondContact O-N 2.96Å; L47-V51 HydrophobicContact CD1-CG2 4.06Å; L47-V51 HydrophobicContact CG-CG2 4.43Å; L47-V51 WeakPolarHBondContact O-CB 3.37Å; L47-V51 VanDerWaalsContact O-CG2 3.3Å; L47-V51 WeakPolarHBondContact O-CG2 3.44Å; L47-V51 PolarHBondContact O-N 3.07Å; L47-L241 HydrophobicContact CD1-CD2 3.97Å; L47-L243 HydrophobicContact CD2-CD1 3.69Å; L47-R250 HydrophobicContact CD2-CG 4.3Å; L47-F252 HydrophobicContact CD2-CE2 3.82Å; L47-F252 HydrophobicContact CD2-CZ 4.27Å; L47-F252 HydrophobicContact CG-CE2 3.88Å; L47-F252 HydrophobicContact CG-CZ 4.01Å; L47-F335 HydrophobicContact CD1-CZ 4.39Å; L47-I394 HydrophobicContact CB-CD1 4.31Å; L47-I394 HydrophobicContact CB-CG1 4.37Å; L47-I394 HydrophobicContact CD1-CG1 4.4Å; L47-I394 HydrophobicContact CD1-CG2 3.98Å
48	T	98	Very high	94.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.4	-48.5	178.4	-58.4	0	0	0	0	111.4	N44 R45 D46 A50 V51 V52 M97 R250 F252	N44-T48 WeakPolarHBondContact O-CB 3.41Å; N44-T48 PolarHBondContact O-N 3.07Å; N44-T48 PolarHBondContact O-OG1 3.39Å; R45-T48 WeakPolarHBondContact O-CB 3.5Å; R45-T48 PolarHBondContact O-N 3.26Å; R45-T48 VanDerWaalsContact O-N 3.12Å; D46-T48 VanDerWaalsContact C-N 3.29Å; D46-T48 PolarHBondContact O-N 3.33Å; T48-A50 VanDerWaalsContact C-N 3.31Å; T48-A50 PolarHBondContact O-N 3.25Å; T48-V51 PolarHBondContact O-N 3.16Å; T48-V52 HydrophobicContact CG2-CG2 4.19Å; T48-V52 WeakPolarHBondContact O-CB 3.4Å; T48-V52 WeakPolarHBondContact O-CG2 3.43Å; T48-V52 PolarHBondContact O-N 3.41Å; T48-M97 HydrophobicContact CG2-CE 3.5Å; T48-M97 VanDerWaalsContact CG2-CE 3.5Å; T48-R250 VanDerWaalsContact CG2-NH2 3.25Å; T48-R250 PolarHBondContact OG1-NE 3.05Å; T48-R250 PolarHBondContact OG1-NH2 3.1Å; T48-F252 HydrophobicContact CG2-CE1 4.44Å
49	I	97.9	Very high	94.6	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.041	12%	0.115	C	C	.	.	H	α-helix	trans	-59.8	-43.7	177.8	-62	-54.6	0	0	0	111	R45 D46 V52 N53 R96 M97 E100 V101	R45-I49 WeakPolarHBondContact O-CG1 3.28Å; R45-I49 PolarHBondContact O-N 3.36Å; D46-I49 PolarHBondContact O-N 2.97Å; I49-V52 PolarHBondContact O-N 3.05Å; I49-N53 WeakPolarHBondContact O-CB 3.45Å; I49-N53 PolarHBondContact O-N 3.49Å; I49-N53 PolarHBondContact O-ND2 3.07Å; I49-R96 HydrophobicContact CD1-CB 4.03Å; I49-R96 HydrophobicContact CG1-CB 4.31Å; I49-M97 HydrophobicContact CD1-CB 4.16Å; I49-M97 HydrophobicContact CD1-CG 3.42Å; I49-M97 VanDerWaalsContact CD1-CG 3.42Å; I49-E100 HydrophobicContact CG2-CB 3.62Å; I49-V101 HydrophobicContact CD1-CG2 4.13Å; I49-V101 HydrophobicContact CG2-CG2 4.18Å
50	A	97.6	Very high	95	Very high	17 Å²	17	24.6 Å²	24.6	14%	0.14	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-47.2	178.5	0	0	0	0	0	111.9	D46 L47 T48 N53 Q54 F335 L339	D46-A50 WeakPolarHBondContact O-CB 3.43Å; D46-A50 PolarHBondContact O-N 3.34Å; L47-A50 PolarHBondContact O-N 2.96Å; T48-A50 VanDerWaalsContact C-N 3.31Å; T48-A50 PolarHBondContact O-N 3.25Å; A50-N53 PolarHBondContact O-N 3.49Å; A50-Q54 PolarHBondContact O-N 3.23Å; A50-Q54 VanDerWaalsContact O-N 3.07Å; A50-F335 HydrophobicContact CB-CE2 3.76Å; A50-F335 HydrophobicContact CB-CZ 3.93Å; A50-L339 HydrophobicContact CB-CD2 4.45Å
51	V	98.5	Very high	95.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.4	-40	179.4	170.6	0	0	0	0	111.6	L47 T48 Q54 F55 L181 L241 F252 F331 F335	L47-V51 HydrophobicContact CD1-CG2 4.06Å; L47-V51 HydrophobicContact CG-CG2 4.43Å; L47-V51 WeakPolarHBondContact O-CB 3.37Å; L47-V51 VanDerWaalsContact O-CG2 3.3Å; L47-V51 WeakPolarHBondContact O-CG2 3.44Å; L47-V51 PolarHBondContact O-N 3.07Å; T48-V51 PolarHBondContact O-N 3.16Å; V51-Q54 PolarHBondContact O-N 3.35Å; V51-F55 WeakPolarHBondContact O-CB 3.35Å; V51-F55 PolarHBondContact O-N 3.24Å; V51-L181 HydrophobicContact CG1-CD2 4.36Å; V51-L241 HydrophobicContact CG2-CD2 4.25Å; V51-F252 HydrophobicContact CB-CD1 4.15Å; V51-F252 HydrophobicContact CB-CE1 3.99Å; V51-F252 HydrophobicContact CB-CG 4.48Å; V51-F252 HydrophobicContact CB-CZ 4.2Å; V51-F252 HydrophobicContact CG1-CB 4.16Å; V51-F252 HydrophobicContact CG1-CD1 3.54Å; V51-F252 HydrophobicContact CG1-CD2 4.33Å; V51-F252 HydrophobicContact CG1-CE1 3.92Å; V51-F252 HydrophobicContact CG1-CG 3.76Å; V51-F252 HydrophobicContact CG1-CZ 4.45Å; V51-F252 HydrophobicContact CG2-CD2 4.26Å; V51-F252 HydrophobicContact CG2-CE1 4.38Å; V51-F252 HydrophobicContact CG2-CE2 4.06Å; V51-F252 HydrophobicContact CG2-CZ 4.11Å; V51-F331 HydrophobicContact CG1-CE1 4.44Å; V51-F331 HydrophobicContact CG1-CZ 4.06Å; V51-F335 HydrophobicContact CG2-CE2 4.15Å; V51-F335 HydrophobicContact CG2-CZ 4.03Å
52	V	98.5	Very high	95.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.2	-40.4	178	174.4	0	0	0	0	111.2	T48 I49 Q54 F55 G56 L81 I83 V101 V156 L181	T48-V52 HydrophobicContact CG2-CG2 4.19Å; T48-V52 WeakPolarHBondContact O-CB 3.4Å; T48-V52 WeakPolarHBondContact O-CG2 3.43Å; T48-V52 PolarHBondContact O-N 3.41Å; I49-V52 PolarHBondContact O-N 3.05Å; V52-Q54 VanDerWaalsContact C-N 3.34Å; V52-Q54 PolarHBondContact O-N 3.44Å; V52-F55 PolarHBondContact O-N 2.95Å; V52-G56 PolarHBondContact O-N 2.79Å; V52-L81 HydrophobicContact CG1-CD1 4.24Å; V52-I83 HydrophobicContact CG1-CD1 4.26Å; V52-V101 HydrophobicContact CB-CG2 4.23Å; V52-V101 HydrophobicContact CG1-CB 4.47Å; V52-V101 HydrophobicContact CG1-CG1 3.7Å; V52-V101 HydrophobicContact CG1-CG2 3.91Å; V52-V156 HydrophobicContact CG1-CG2 4.3Å; V52-V156 HydrophobicContact CG2-CG1 4.16Å; V52-L181 HydrophobicContact CG2-CD2 4Å
53	N	97.8	Very high	95.2	Very high	37 Å²	37	28.8 Å²	28.8	20%	0.198	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-44.3	172.3	-91.8	-53.5	0	0	0	111.8	I49 A50 G56 K57 E100 V101 S102	I49-N53 WeakPolarHBondContact O-CB 3.45Å; I49-N53 PolarHBondContact O-N 3.49Å; I49-N53 PolarHBondContact O-ND2 3.07Å; A50-N53 PolarHBondContact O-N 3.49Å; N53-G56 PolarHBondContact O-N 3.32Å; N53-K57 PolarHBondContact O-N 2.81Å; N53-E100 PolarHBondContact ND2-O 3.26Å; N53-V101 WeakPolarHBondContact OD1-CA 3.41Å; N53-S102 PolarHBondContact OD1-N 2.86Å; N53-S102 PolarHBondContact OD1-OG 3.39Å
54	Q	98	Very high	95	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-42.8	177.3	-166.3	62.6	15.3	0	0	112.3	A50 V51 V52 G56 K57 L58 F331 F335 D338	A50-Q54 PolarHBondContact O-N 3.23Å; A50-Q54 VanDerWaalsContact O-N 3.07Å; V51-Q54 PolarHBondContact O-N 3.35Å; V52-Q54 VanDerWaalsContact C-N 3.34Å; V52-Q54 PolarHBondContact O-N 3.44Å; Q54-G56 VanDerWaalsContact C-N 3.31Å; Q54-G56 PolarHBondContact O-N 3.49Å; Q54-K57 PolarHBondContact O-N 2.94Å; Q54-L58 PolarHBondContact O-N 3.27Å; Q54-F331 HydrophobicContact CB-CE2 4.06Å; Q54-F331 HydrophobicContact CB-CZ 3.87Å; Q54-F331 HydrophobicContact CG-CD2 4.41Å; Q54-F331 HydrophobicContact CG-CE2 3.67Å; Q54-F331 HydrophobicContact CG-CZ 3.8Å; Q54-F335 HydrophobicContact CB-CD2 3.87Å; Q54-F335 HydrophobicContact CG-CB 4.1Å; Q54-F335 HydrophobicContact CG-CD2 4.03Å; Q54-D338 VanDerWaalsContact CD-OD2 3.25Å; Q54-D338 PolarHBondContact NE2-OD2 3.28Å; Q54-D338 PolarHBondContact OE1-OD2 3.29Å
55	F	98	Very high	94.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-42.2	173.7	165.7	-114.1	0	0	0	111.6	V51 V52 K57 L58 H59 L81 V156 L181 R254	V51-F55 WeakPolarHBondContact O-CB 3.35Å; V51-F55 PolarHBondContact O-N 3.24Å; V52-F55 PolarHBondContact O-N 2.95Å; F55-K57 VanDerWaalsContact C-N 3.31Å; F55-K57 PolarHBondContact O-N 2.91Å; F55-L58 PolarHBondContact O-N 2.72Å; F55-H59 HydrophobicContact CD2-CB 4.25Å; F55-H59 HydrophobicContact CE1-CB 4.5Å; F55-H59 HydrophobicContact CE2-CB 3.59Å; F55-H59 AromaticContact CE2-CG 3.88Å; F55-H59 HydrophobicContact CZ-CB 3.78Å; F55-H59 AromaticContact CZ-CG 3.73Å; F55-H59 VanDerWaalsContact O-CB 3.28Å; F55-H59 WeakPolarHBondContact O-CB 3.44Å; F55-H59 PolarHBondContact O-N 2.78Å; F55-L81 HydrophobicContact CE1-CD2 4.1Å; F55-V156 HydrophobicContact CD1-CG2 3.74Å; F55-V156 HydrophobicContact CE1-CG2 3.56Å; F55-L181 HydrophobicContact CB-CD2 3.79Å; F55-L181 HydrophobicContact CD1-CB 3.71Å; F55-L181 HydrophobicContact CD1-CD2 3.77Å; F55-L181 HydrophobicContact CD1-CG 4.37Å; F55-L181 HydrophobicContact CD2-CB 4.2Å; F55-L181 HydrophobicContact CE1-CB 3.81Å; F55-L181 HydrophobicContact CE2-CB 4.36Å; F55-L181 HydrophobicContact CG-CB 3.91Å; F55-L181 HydrophobicContact CG-CD2 3.81Å; F55-L181 HydrophobicContact CG-CG 4.36Å; F55-L181 HydrophobicContact CZ-CB 4.15Å; F55-R254 VanDerWaalsContact CE2-CZ 3.49Å
56	G	96.7	Very high	94.1	Very high	15 Å²	15	40.8 Å²	40.8	16%	0.155	20%	0.196	C	C	.	.	H	α-helix	trans	-56.7	-42.6	176.6	0	0	0	0	0	112.8	V52 N53 Q54 R60	V52-G56 PolarHBondContact O-N 2.79Å; N53-G56 PolarHBondContact O-N 3.32Å; Q54-G56 VanDerWaalsContact C-N 3.31Å; Q54-G56 PolarHBondContact O-N 3.49Å; G56-R60 WeakPolarHBondContact O-CB 3.16Å; G56-R60 PolarHBondContact O-N 3.22Å
57	K	95.3	Very high	93.3	Very high	100 Å²	100	44 Å²	44	44%	0.435	21%	0.211	S	C	.	.	H	α-helix	trans	-63.2	-49.5	174	-63.3	178.8	-174.1	174.8	0	111.8	N53 Q54 F55 H59 R60 R61 D338	N53-K57 PolarHBondContact O-N 2.81Å; Q54-K57 PolarHBondContact O-N 2.94Å; F55-K57 VanDerWaalsContact C-N 3.31Å; F55-K57 PolarHBondContact O-N 2.91Å; K57-H59 PolarHBondContact O-N 3.5Å; K57-R60 PolarHBondContact O-N 2.94Å; K57-R61 PolarHBondContact O-N 3.25Å; K57-D338 IonicContact NZ-OD1 2.86Å; K57-D338 PolarHBondContact NZ-OD1 3.02Å; K57-D338 IonicContact NZ-OD2 2.85Å; K57-D338 PolarHBondContact NZ-OD2 3.48Å
58	L	94.8	Very high	92.5	Very high	25 Å²	25	51 Å²	51	13%	0.131	24%	0.242	C	C	.	.	H	α-helix	trans	-58.2	-49.3	178.9	175	62.3	0	0	0	111.1	Q54 F55 R60 R61 E62 F331	Q54-L58 PolarHBondContact O-N 3.27Å; F55-L58 PolarHBondContact O-N 2.72Å; L58-R60 VanDerWaalsContact C-N 3.35Å; L58-R60 PolarHBondContact O-N 3.08Å; L58-R61 WeakPolarHBondContact O-CB 3.28Å; L58-R61 PolarHBondContact O-N 2.92Å; L58-R61 VanDerWaalsContact O-N 3.16Å; L58-E62 HydrophobicContact CD1-CG 4.43Å; L58-E62 WeakPolarHBondContact O-CG 3.5Å; L58-E62 PolarHBondContact O-N 2.92Å; L58-F331 HydrophobicContact CD2-CD2 4.24Å
59	H	92.6	Very high	91.6	Very high	40 Å²	40	57.6 Å²	57.6	19%	0.185	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-40.9	-177.6	-166	51.5	0	0	0	112.3	F55 K57 R61 E62 A63 D155	F55-H59 HydrophobicContact CD2-CB 4.25Å; F55-H59 HydrophobicContact CE1-CB 4.5Å; F55-H59 HydrophobicContact CE2-CB 3.59Å; F55-H59 AromaticContact CE2-CG 3.88Å; F55-H59 HydrophobicContact CZ-CB 3.78Å; F55-H59 AromaticContact CZ-CG 3.73Å; F55-H59 VanDerWaalsContact O-CB 3.28Å; F55-H59 WeakPolarHBondContact O-CB 3.44Å; F55-H59 PolarHBondContact O-N 2.78Å; K57-H59 PolarHBondContact O-N 3.5Å; H59-R61 VanDerWaalsContact C-N 3.34Å; H59-R61 PolarHBondContact O-N 3.02Å; H59-E62 IonicContact ND1-OE2 2.77Å; H59-E62 PolarHBondContact O-N 3.28Å; H59-A63 PolarHBondContact O-N 3.45Å; H59-D155 IonicContact NE2-OD1 2.72Å
60	R	91.3	Very high	90.5	Very high	135 Å²	135	62.8 Å²	62.8	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-61.7	-42.4	174.4	-171.7	178.7	-174.2	-136.7	1.8	111.6	G56 K57 L58 A63 I64 P78	G56-R60 WeakPolarHBondContact O-CB 3.16Å; G56-R60 PolarHBondContact O-N 3.22Å; K57-R60 PolarHBondContact O-N 2.94Å; L58-R60 VanDerWaalsContact C-N 3.35Å; L58-R60 PolarHBondContact O-N 3.08Å; R60-A63 PolarHBondContact O-N 3.27Å; R60-I64 HydrophobicContact CG-CD1 4.16Å; R60-I64 VanDerWaalsContact O-CG1 3.3Å; R60-I64 WeakPolarHBondContact O-CG1 3.37Å; R60-I64 PolarHBondContact O-N 2.81Å; R60-P78 HydrophobicContact CG-CB 4.44Å
61	R	91.5	Very high	88.9	Confident	120 Å²	120	70.4 Å²	70.4	45%	0.453	33%	0.334	S	S	.	.	H	α-helix	trans	-61.9	-47	175.5	-179.7	175.3	65.5	154.2	-16.3	111.6	K57 L58 H59 A63 I64 L65 E334	K57-R61 PolarHBondContact O-N 3.25Å; L58-R61 WeakPolarHBondContact O-CB 3.28Å; L58-R61 PolarHBondContact O-N 2.92Å; L58-R61 VanDerWaalsContact O-N 3.16Å; H59-R61 VanDerWaalsContact C-N 3.34Å; H59-R61 PolarHBondContact O-N 3.02Å; R61-A63 VanDerWaalsContact C-N 3.29Å; R61-A63 PolarHBondContact O-N 3.42Å; R61-I64 PolarHBondContact O-N 2.85Å; R61-L65 HydrophobicContact CG-CD1 4.21Å; R61-L65 WeakPolarHBondContact O-CG 3.35Å; R61-L65 PolarHBondContact O-N 3.31Å; R61-E334 IonicContact CZ-OE1 3.13Å; R61-E334 IonicContact NH1-OE1 3.41Å; R61-E334 IonicContact NH2-OE1 2.77Å; R61-E334 PolarHBondContact NH2-OE1 3.4Å; R61-E334 IonicContact NH2-OE2 3.96Å
62	E	91.5	Very high	86.8	Confident	35 Å²	35	78.1 Å²	78.1	16%	0.164	38%	0.375	C	S	.	.	H	α-helix	trans	-58.7	-40.4	176.7	-69.7	172.4	174.8	0	0	112.1	L58 H59 L65 K66 R254	L58-E62 HydrophobicContact CD1-CG 4.43Å; L58-E62 WeakPolarHBondContact O-CG 3.5Å; L58-E62 PolarHBondContact O-N 2.92Å; H59-E62 IonicContact ND1-OE2 2.77Å; H59-E62 PolarHBondContact O-N 3.28Å; E62-L65 PolarHBondContact O-N 3.05Å; E62-K66 WeakPolarHBondContact O-CG 3.36Å; E62-K66 PolarHBondContact O-N 2.79Å; E62-K66 VanDerWaalsContact O-N 3.07Å; E62-R254 IonicContact OE1-NH2 3.49Å; E62-R254 PolarHBondContact OE1-NH2 3.01Å; E62-R254 IonicContact OE2-NH2 3.81Å; E62-R254 PolarHBondContact OE2-NH2 3.31Å
63	A	86.8	Confident	84.6	Confident	33 Å²	33	84.7 Å²	84.7	27%	0.273	41%	0.406	S	S	.	.	H	α-helix	trans	-64.2	-45.3	176.6	0	0	0	0	0	111.8	H59 R60 R61 L65 K66 M67	H59-A63 PolarHBondContact O-N 3.45Å; R60-A63 PolarHBondContact O-N 3.27Å; R61-A63 VanDerWaalsContact C-N 3.29Å; R61-A63 PolarHBondContact O-N 3.42Å; A63-L65 VanDerWaalsContact C-N 3.34Å; A63-L65 PolarHBondContact O-N 3.48Å; A63-K66 PolarHBondContact O-N 3.45Å; A63-M67 VanDerWaalsContact O-CG 3.27Å; A63-M67 WeakPolarHBondContact O-CG 3.3Å; A63-M67 PolarHBondContact O-N 3.29Å
64	I	87.6	Confident	82.4	Confident	76 Å²	76	89.2 Å²	89.2	39%	0.39	44%	0.435	S	S	.	.	H	α-helix	trans	-61.2	-41.9	177.3	-68	164.1	0	0	0	111.4	R60 R61 M67 K68	R60-I64 HydrophobicContact CG-CD1 4.16Å; R60-I64 VanDerWaalsContact O-CG1 3.3Å; R60-I64 WeakPolarHBondContact O-CG1 3.37Å; R60-I64 PolarHBondContact O-N 2.81Å; R61-I64 PolarHBondContact O-N 2.85Å; I64-M67 PolarHBondContact O-N 3.25Å; I64-K68 PolarHBondContact O-N 3Å
65	L	87.8	Confident	79.9	Confident	90 Å²	90	93 Å²	93	47%	0.471	46%	0.46	S	S	.	.	H	α-helix	trans	-65	-46.2	178.3	-69.3	173	0	0	0	111.8	R61 E62 A63 M67 K68 D69	R61-L65 HydrophobicContact CG-CD1 4.21Å; R61-L65 WeakPolarHBondContact O-CG 3.35Å; R61-L65 PolarHBondContact O-N 3.31Å; E62-L65 PolarHBondContact O-N 3.05Å; A63-L65 VanDerWaalsContact C-N 3.34Å; A63-L65 PolarHBondContact O-N 3.48Å; L65-M67 PolarHBondContact O-N 3.18Å; L65-K68 PolarHBondContact O-N 2.96Å; L65-K68 VanDerWaalsContact O-N 3.12Å; L65-D69 PolarHBondContact O-N 3.5Å; L65-D69 VanDerWaalsContact O-N 3.17Å
66	K	84.3	Confident	77.6	Confident	104 Å²	104	98.2 Å²	98.2	45%	0.452	49%	0.488	S	S	.	.	H	α-helix	trans	-60.4	-32.2	175.5	-72.7	171.7	-177.5	168.4	0	112.9	E62 A63 K70	E62-K66 WeakPolarHBondContact O-CG 3.36Å; E62-K66 PolarHBondContact O-N 2.79Å; E62-K66 VanDerWaalsContact O-N 3.07Å; A63-K66 PolarHBondContact O-N 3.45Å; K66-K70 PolarHBondContact O-N 3.01Å
67	M	77.7	Confident	75.3	Confident	79 Å²	79	105.4 Å²	105.4	39%	0.389	52%	0.515	S	S	.	.	H	α-helix	trans	-70.4	-41.9	174.8	-72.4	172.5	-180	0	0	111.9	A63 I64 L65 D69 K70 P75	A63-M67 VanDerWaalsContact O-CG 3.27Å; A63-M67 WeakPolarHBondContact O-CG 3.3Å; A63-M67 PolarHBondContact O-N 3.29Å; I64-M67 PolarHBondContact O-N 3.25Å; L65-M67 PolarHBondContact O-N 3.18Å; M67-D69 PolarHBondContact O-N 3.41Å; M67-K70 CarbonylContact O-C 3.58Å; M67-K70 VanDerWaalsContact O-C 3.29Å; M67-K70 PolarHBondContact O-N 3.37Å; M67-K70 VanDerWaalsContact O-N 3.1Å; M67-K70 VanDerWaalsContact O-O 3.09Å; M67-P75 HydrophobicContact SD-CB 4.48Å
68	K	80.2	Confident	73.5	Confident	150 Å²	150	102.8 Å²	102.8	65%	0.652	51%	0.508	S	S	*	.	H	α-helix	trans	-59.8	-36.8	176	-73.8	-177.8	176.8	-172.8	0	112.2	I64 L65 K70	I64-K68 PolarHBondContact O-N 3Å; L65-K68 PolarHBondContact O-N 2.96Å; L65-K68 VanDerWaalsContact O-N 3.12Å; K68-K70 VanDerWaalsContact C-N 3.33Å
69	D	79.7	Confident	72.6	Confident	137 Å²	137	108.7 Å²	108.7	73%	0.733	53%	0.529	S	S	*	.	H	α-helix	trans	-69.9	-30.5	176.7	-66.3	-17.1	0	0	0	112.6	L65 M67 M71	L65-D69 PolarHBondContact O-N 3.5Å; L65-D69 VanDerWaalsContact O-N 3.17Å; M67-D69 PolarHBondContact O-N 3.41Å; D69-M71 PolarHBondContact O-N 3.48Å
70	K	74.1	Confident	72.5	Confident	118 Å²	118	107.2 Å²	107.2	51%	0.513	53%	0.525	S	S	.	.	S	Bend	trans	-97.9	75.9	177.2	-68.8	-177.2	167	-158.3	0	110.4	K66 M67 K68 N72 E73	K66-K70 PolarHBondContact O-N 3.01Å; M67-K70 CarbonylContact O-C 3.58Å; M67-K70 VanDerWaalsContact O-C 3.29Å; M67-K70 PolarHBondContact O-N 3.37Å; M67-K70 VanDerWaalsContact O-N 3.1Å; M67-K70 VanDerWaalsContact O-O 3.09Å; K68-K70 VanDerWaalsContact C-N 3.33Å; K70-N72 PolarHBondContact O-N 3.3Å; K70-E73 IonicContact NZ-OE1 3.79Å; K70-E73 PolarHBondContact NZ-OE1 2.9Å; K70-E73 IonicContact NZ-OE2 3.38Å; K70-E73 PolarHBondContact NZ-OE2 2.86Å
71	M	64.9	Low	72.8	Confident	176 Å²	176	101.1 Å²	101.1	87%	0.867	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-4	-173.8	-80.4	-173.4	134	0	0	118.4	D69	D69-M71 PolarHBondContact O-N 3.48Å
72	N	54.8	Low	73	Confident	163 Å²	163	97.1 Å²	97.1	87%	0.872	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.4	14.7	-167.9	-78.9	-25.1	0	0	0	116.9	K70	K70-N72 PolarHBondContact O-N 3.3Å
73	E	52	Low	73.4	Confident	137 Å²	137	95.5 Å²	95.5	64%	0.64	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-101.7	126.9	172.7	-75	175.3	-167.7	0	0	111	K70	K70-E73 IonicContact NZ-OE1 3.79Å; K70-E73 PolarHBondContact NZ-OE1 2.9Å; K70-E73 IonicContact NZ-OE2 3.38Å; K70-E73 PolarHBondContact NZ-OE2 2.86Å
74	T	49.9	Very low	74	Confident	133 Å²	133	93.9 Å²	93.9	82%	0.816	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-55.8	134.5	169.3	49.1	0	0	0	0	109.5	D76	T74-D76 PolarHBondContact O-N 2.77Å; T74-D76 VanDerWaalsContact O-N 3.13Å
75	P	46.5	Very low	74.5	Confident	86 Å²	86	90.3 Å²	90.3	56%	0.558	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-64.8	118.2	-172.3	23.9	-31.7	0	0	0	110.6	M67 F77	M67-P75 HydrophobicContact SD-CB 4.48Å; P75-F77 PolarHBondContact O-N 3.36Å
76	D	50.5	Low	75	Confident	111 Å²	111	86.1 Å²	86.1	59%	0.594	43%	0.427	S	S	*	.			trans	-68.7	82.3	153.5	-148.6	17.3	0	0	0	104.8	T74 R79	T74-D76 PolarHBondContact O-N 2.77Å; T74-D76 VanDerWaalsContact O-N 3.13Å; D76-R79 IonicContact OD2-NE 2.94Å
77	F	48.7	Very low	75.6	Confident	166 Å²	166	83.2 Å²	83.2	73%	0.728	42%	0.416	S	S	*	.			trans	-46.8	138.3	-174.1	-149.4	-101.7	0	0	0	109.2	P75 R79	P75-F77 PolarHBondContact O-N 3.36Å; F77-R79 PolarHBondContact O-N 3.14Å
78	P	55.9	Low	76.6	Confident	44 Å²	44	79.6 Å²	79.6	29%	0.286	40%	0.399	S	S	.	.			trans	-52.4	102.4	-151.8	20	-34	0	0	0	110.6	R60 G80	R60-P78 HydrophobicContact CG-CB 4.44Å; P78-G80 PolarHBondContact O-N 2.97Å
79	R	76.4	Confident	77.2	Confident	149 Å²	149	74.7 Å²	74.7	56%	0.562	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-46.8	130.1	171.4	-99.5	-176.8	-172.8	-178.5	0.6	106.6	D76 F77	D76-R79 IonicContact OD2-NE 2.94Å; F77-R79 PolarHBondContact O-N 3.14Å
80	G	90.9	Very high	77.9	Confident	10 Å²	10	68.7 Å²	68.7	10%	0.103	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-55	157.7	168.8	0	0	0	0	0	110.1	P78 K82 N103 S105	P78-G80 PolarHBondContact O-N 2.97Å; G80-K82 PolarHBondContact O-N 3.4Å; G80-N103 CarbonylContact C-O 3.58Å; G80-N103 WeakPolarHBondContact CA-O 3.27Å; G80-S105 WeakPolarHBondContact O-CB 3.18Å; G80-S105 PolarHBondContact O-OG 2.97Å; G80-S105 VanDerWaalsContact O-OG 3.07Å
81	L	96.4	Very high	79	Confident	7 Å²	7	63 Å²	63	4%	0.037	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.2	180	-61.1	177	0	0	0	109.8	V52 F55 I83 V101 N103 S105 S106 D155	V52-L81 HydrophobicContact CG1-CD1 4.24Å; F55-L81 HydrophobicContact CE1-CD2 4.1Å; L81-I83 HydrophobicContact CB-CD1 4.22Å; L81-I83 HydrophobicContact CB-CG1 4.01Å; L81-V101 HydrophobicContact CD1-CG1 4.24Å; L81-N103 PolarHBondContact N-O 3.01Å; L81-S105 PolarHBondContact O-N 2.85Å; L81-S105 PolarHBondContact O-OG 3.5Å; L81-S106 PolarHBondContact O-N 2.72Å; L81-D155 HydrophobicContact CD2-CB 3.93Å
82	K	97.3	Very high	80.5	Confident	36 Å²	36	55.1 Å²	55.1	16%	0.157	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.5	166.5	-168.9	-175.1	-177.4	-175.9	0	108.5	G80 S106 E152 F154 D155 V156	G80-K82 PolarHBondContact O-N 3.4Å; K82-S106 WeakPolarHBondContact CA-O 3.38Å; K82-S106 WeakPolarHBondContact CG-OG 3.21Å; K82-E152 PolarHBondContact NZ-O 3.01Å; K82-F154 HydrophobicContact CD-CD1 3.95Å; K82-F154 HydrophobicContact CD-CE1 4.17Å; K82-F154 HydrophobicContact CG-CD1 3.72Å; K82-F154 HydrophobicContact CG-CE1 4.14Å; K82-D155 PolarHBondContact N-OD2 2.82Å; K82-D155 PolarHBondContact O-N 2.67Å; K82-V156 PolarHBondContact O-N 2.79Å
83	I	98.7	Very high	82.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.1	-172.5	-52.7	-176.3	0	0	0	110.4	V52 L81 M97 V104 S106 I107 I108 V156	V52-I83 HydrophobicContact CG1-CD1 4.26Å; L81-I83 HydrophobicContact CB-CD1 4.22Å; L81-I83 HydrophobicContact CB-CG1 4.01Å; I83-M97 HydrophobicContact CD1-SD 4.46Å; I83-M97 HydrophobicContact CG2-SD 3.78Å; I83-V104 HydrophobicContact CD1-CG1 4.27Å; I83-V104 HydrophobicContact CD1-CG2 4Å; I83-S106 PolarHBondContact N-O 3.27Å; I83-I107 HydrophobicContact CB-CG1 4.03Å; I83-I107 HydrophobicContact CD1-CG1 4.49Å; I83-I107 CarbonylContact O-C 3.4Å; I83-I107 WeakPolarHBondContact O-CA 3.31Å; I83-I108 PolarHBondContact O-N 3.27Å; I83-V156 CarbonylContact C-O 3.52Å; I83-V156 WeakPolarHBondContact CA-O 3.4Å; I83-V156 HydrophobicContact CB-CB 4.33Å; I83-V156 HydrophobicContact CD1-CG2 4.47Å; I83-V156 HydrophobicContact CG1-CB 3.98Å; I83-V156 HydrophobicContact CG1-CG2 4.17Å; I83-V156 HydrophobicContact CG2-CB 4.03Å; I83-V156 HydrophobicContact CG2-CG1 4.24Å
84	L	98.8	Very high	84.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.5	168.3	173.7	63.3	0	0	0	109.7	A86 I108 L143 M144 F154 V156 V157 D158	L84-A86 HydrophobicContact CD2-CB 4.27Å; L84-A86 HydrophobicContact CG-CB 4.2Å; L84-I108 HydrophobicContact CD1-CB 3.95Å; L84-I108 HydrophobicContact CD1-CG2 3.91Å; L84-L143 HydrophobicContact CD1-CD2 3.82Å; L84-M144 HydrophobicContact CD2-CG 3.58Å; L84-M144 HydrophobicContact CD2-SD 4.38Å; L84-F154 HydrophobicContact CB-CD1 3.65Å; L84-F154 HydrophobicContact CB-CD2 3.97Å; L84-F154 HydrophobicContact CB-CE1 3.71Å; L84-F154 HydrophobicContact CB-CE2 4Å; L84-F154 HydrophobicContact CB-CG 3.81Å; L84-F154 HydrophobicContact CB-CZ 3.89Å; L84-F154 HydrophobicContact CD1-CZ 4.29Å; L84-F154 HydrophobicContact CD2-CD2 4.12Å; L84-F154 HydrophobicContact CD2-CE2 3.77Å; L84-F154 HydrophobicContact CD2-CZ 4.16Å; L84-F154 HydrophobicContact CG-CE2 4.37Å; L84-F154 HydrophobicContact CG-CZ 4.34Å; L84-V156 PolarHBondContact N-O 3.12Å; L84-V157 HydrophobicContact CB-CG2 4.27Å; L84-V157 HydrophobicContact CD2-CG1 4.24Å; L84-V157 HydrophobicContact CD2-CG2 4.46Å; L84-D158 PolarHBondContact O-N 2.89Å
85	E	98.7	Very high	87	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	104	158	-176.1	173.4	-160	0	0	107.9	A88 R93 S94 I108 N110	E85-A88 HydrophobicContact CB-CB 4.4Å; E85-A88 HydrophobicContact CG-CB 3.87Å; E85-R93 VanDerWaalsContact OE1-CB 3.32Å; E85-R93 WeakPolarHBondContact OE1-CB 3.46Å; E85-R93 IonicContact OE1-CZ 2.83Å; E85-R93 IonicContact OE1-NH1 3.52Å; E85-R93 PolarHBondContact OE1-NH1 3.07Å; E85-S94 WeakPolarHBondContact CB-OG 3.47Å; E85-S94 VanDerWaalsContact OE2-CB 3.3Å; E85-S94 WeakPolarHBondContact OE2-CB 3.4Å; E85-S94 PolarHBondContact OE2-N 2.73Å; E85-S94 PolarHBondContact OE2-OG 2.93Å; E85-I108 PolarHBondContact N-O 3.14Å; E85-N110 PolarHBondContact O-N 2.92Å
86	A	98.5	Very high	89.4	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.008	16%	0.156	C	C	.	.	S	Bend	trans	-76.5	-25.2	-167.8	0	0	0	0	0	113.7	L84 N110 A140 D158 I159	L84-A86 HydrophobicContact CD2-CB 4.27Å; L84-A86 HydrophobicContact CG-CB 4.2Å; A86-N110 CarbonylContact C-O 3.59Å; A86-N110 PolarHBondContact O-ND2 3.44Å; A86-A140 HydrophobicContact CB-CB 4.13Å; A86-D158 PolarHBondContact N-O 3.28Å; A86-D158 VanDerWaalsContact N-O 3.12Å; A86-I159 HydrophobicContact CB-CD1 3.71Å
87	L	97.9	Very high	91.7	Very high	43 Å²	43	25.6 Å²	25.6	23%	0.225	13%	0.128	C	C	.	.	S	Bend	trans	-133.2	77.6	179.1	-55.5	104.2	0	0	0	109.7	A140 I159 P161 F168	L87-A140 HydrophobicContact CG-CB 4.36Å; L87-I159 HydrophobicContact CD1-CG2 4.45Å; L87-P161 HydrophobicContact CD1-CB 4.24Å; L87-P161 HydrophobicContact CD2-CB 3.92Å; L87-F168 HydrophobicContact CD2-CE1 4.37Å; L87-F168 HydrophobicContact CD2-CE2 4.47Å; L87-F168 HydrophobicContact CD2-CZ 3.98Å
88	A	97	Very high	94	Very high	4 Å²	4	18.4 Å²	18.4	3%	0.033	10%	0.099	C	C	.	.			trans	-83.6	-21.9	-164.1	0	0	0	0	0	115.1	E85 S90 G91 A109 N110 I120	E85-A88 HydrophobicContact CB-CB 4.4Å; E85-A88 HydrophobicContact CG-CB 3.87Å; A88-S90 PolarHBondContact O-N 3.12Å; A88-G91 PolarHBondContact O-N 2.81Å; A88-A109 HydrophobicContact CB-CB 4Å; A88-N110 WeakPolarHBondContact CB-O 3.4Å; A88-N110 PolarHBondContact N-O 3.33Å; A88-I120 HydrophobicContact CB-CD1 3.68Å
89	A	94.5	Very high	96	Very high	47 Å²	47	19.6 Å²	19.6	39%	0.388	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	-98.4	-177.9	0	0	0	0	0	113.5	D111 I120	A89-D111 VanDerWaalsContact CA-OD2 3.25Å; A89-D111 WeakPolarHBondContact CA-OD2 3.42Å; A89-D111 PolarHBondContact N-OD2 2.9Å; A89-I120 WeakPolarHBondContact O-CD1 3.31Å; A89-I120 VanDerWaalsContact O-CG1 3.29Å; A89-I120 WeakPolarHBondContact O-CG1 3.22Å
90	S	94.5	Very high	97	Very high	10 Å²	10	14.2 Å²	14.2	7%	0.07	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-11.6	176.8	65.2	0	0	0	0	114.1	A88 I92 N123	A88-S90 PolarHBondContact O-N 3.12Å; S90-I92 VanDerWaalsContact C-N 3.27Å; S90-I92 PolarHBondContact O-N 3.42Å; S90-N123 PolarHBondContact O-ND2 3.47Å
91	G	96.2	Very high	97.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.082	C	C	.	.			trans	78.4	6.8	-176.4	0	0	0	0	0	114	A88 R93 S94 V95	A88-G91 PolarHBondContact O-N 2.81Å; G91-R93 VanDerWaalsContact C-N 3.25Å; G91-R93 PolarHBondContact O-N 2.82Å; G91-S94 WeakPolarHBondContact O-CB 3.38Å; G91-S94 PolarHBondContact O-N 3.07Å; G91-S94 VanDerWaalsContact O-N 3.13Å; G91-V95 WeakPolarHBondContact O-CG2 3.33Å; G91-V95 PolarHBondContact O-N 2.86Å
92	I	95.9	Very high	97.1	Very high	9 Å²	9	17.2 Å²	17.2	5%	0.046	10%	0.103	C	C	.	.	H	α-helix	trans	-56.6	-37.9	-176	-170	171.5	0	0	0	112.7	Q24 V29 Y37 S90 R96	Q24-I92 HydrophobicContact CB-CD1 4.22Å; Q24-I92 HydrophobicContact CG-CD1 3.89Å; V29-I92 HydrophobicContact CG1-CB 4Å; V29-I92 HydrophobicContact CG1-CG1 3.95Å; V29-I92 HydrophobicContact CG2-CB 4.18Å; V29-I92 HydrophobicContact CG2-CD1 3.67Å; V29-I92 HydrophobicContact CG2-CG1 3.98Å; Y37-I92 HydrophobicContact CE2-CD1 3.97Å; S90-I92 VanDerWaalsContact C-N 3.27Å; S90-I92 PolarHBondContact O-N 3.42Å; I92-R96 WeakPolarHBondContact O-CB 3.34Å; I92-R96 WeakPolarHBondContact O-CG 3.5Å; I92-R96 PolarHBondContact O-N 2.78Å
93	R	96.5	Very high	96.9	Very high	9 Å²	9	19.7 Å²	19.7	3%	0.034	12%	0.118	C	C	.	.	H	α-helix	trans	-73	-43.3	178.1	175.8	-175.2	-64.7	112.1	-8	111.1	R45 E85 G91 V95 R96 M97 D158 D160	R45-R93 HydrophobicContact CG-CB 4.48Å; E85-R93 VanDerWaalsContact OE1-CB 3.32Å; E85-R93 WeakPolarHBondContact OE1-CB 3.46Å; E85-R93 IonicContact OE1-CZ 2.83Å; E85-R93 IonicContact OE1-NH1 3.52Å; E85-R93 PolarHBondContact OE1-NH1 3.07Å; G91-R93 VanDerWaalsContact C-N 3.25Å; G91-R93 PolarHBondContact O-N 2.82Å; R93-V95 PolarHBondContact O-N 3.15Å; R93-R96 PolarHBondContact O-N 2.82Å; R93-M97 HydrophobicContact CG-CE 3.56Å; R93-M97 HydrophobicContact CG-CG 4.46Å; R93-M97 HydrophobicContact CG-SD 4.2Å; R93-M97 WeakPolarHBondContact O-CB 3.45Å; R93-M97 VanDerWaalsContact O-CG 3.31Å; R93-M97 WeakPolarHBondContact O-CG 3.38Å; R93-M97 PolarHBondContact O-N 3.18Å; R93-D158 WeakPolarHBondContact CD-OD2 3.39Å; R93-D158 IonicContact CZ-OD2 3.33Å; R93-D158 IonicContact NE-OD2 2.81Å; R93-D158 PolarHBondContact NE-OD2 3.19Å; R93-D158 IonicContact NH1-OD2 2.86Å; R93-D160 IonicContact CZ-OD2 3.36Å; R93-D160 IonicContact NH1-OD2 3.52Å; R93-D160 PolarHBondContact NH1-OD2 2.83Å; R93-D160 IonicContact NH2-OD2 3.63Å; R93-D160 PolarHBondContact NH2-OD2 2.87Å
94	S	98.4	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-55.8	-46.7	171.6	-72.5	0	0	0	0	112.8	E85 G91 R96 M97 A98 I107 A109	E85-S94 WeakPolarHBondContact CB-OG 3.47Å; E85-S94 VanDerWaalsContact OE2-CB 3.3Å; E85-S94 WeakPolarHBondContact OE2-CB 3.4Å; E85-S94 PolarHBondContact OE2-N 2.73Å; E85-S94 PolarHBondContact OE2-OG 2.93Å; G91-S94 WeakPolarHBondContact O-CB 3.38Å; G91-S94 PolarHBondContact O-N 3.07Å; G91-S94 VanDerWaalsContact O-N 3.13Å; S94-R96 PolarHBondContact O-N 2.81Å; S94-M97 PolarHBondContact O-N 3.05Å; S94-A98 PolarHBondContact O-N 2.83Å; S94-I107 WeakPolarHBondContact O-CD1 3.35Å; S94-A109 WeakPolarHBondContact OG-CB 3.47Å
95	V	98.2	Very high	96.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61	-46.8	176.3	172.4	0	0	0	0	110.6	A27 G91 R93 M97 A98 L99 N123 V124 N127 V129	A27-V95 HydrophobicContact CB-CB 4.42Å; A27-V95 HydrophobicContact CB-CG1 3.66Å; G91-V95 WeakPolarHBondContact O-CG2 3.33Å; G91-V95 PolarHBondContact O-N 2.86Å; R93-V95 PolarHBondContact O-N 3.15Å; V95-M97 PolarHBondContact O-N 3.45Å; V95-A98 WeakPolarHBondContact O-CB 3.39Å; V95-A98 PolarHBondContact O-N 3.34Å; V95-L99 HydrophobicContact CG1-CD1 3.86Å; V95-L99 WeakPolarHBondContact O-CG 3.46Å; V95-L99 PolarHBondContact O-N 3.26Å; V95-N123 HydrophobicContact CG2-CB 4.49Å; V95-V124 HydrophobicContact CG2-CG2 4.38Å; V95-N127 HydrophobicContact CG1-CB 3.62Å; V95-V129 HydrophobicContact CG1-CG2 4.39Å; V95-V129 HydrophobicContact CG2-CG2 4.21Å
96	R	97.7	Very high	96.6	Very high	2 Å²	2	25 Å²	25	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-39.2	176.8	-73.5	-171.9	65.9	-161.3	-10.7	113	A27 D46 I49 I92 R93 S94 A98 L99 E100	A27-R96 HydrophobicContact CB-CG 3.39Å; D46-R96 IonicContact OD1-CZ 2.86Å; D46-R96 IonicContact OD1-NH1 2.77Å; D46-R96 PolarHBondContact OD1-NH1 2.78Å; D46-R96 IonicContact OD1-NH2 3.72Å; D46-R96 PolarHBondContact OD1-NH2 2.88Å; I49-R96 HydrophobicContact CD1-CB 4.03Å; I49-R96 HydrophobicContact CG1-CB 4.31Å; I92-R96 WeakPolarHBondContact O-CB 3.34Å; I92-R96 WeakPolarHBondContact O-CG 3.5Å; I92-R96 PolarHBondContact O-N 2.78Å; R93-R96 PolarHBondContact O-N 2.82Å; S94-R96 PolarHBondContact O-N 2.81Å; R96-A98 VanDerWaalsContact C-N 3.31Å; R96-A98 PolarHBondContact O-N 3.47Å; R96-L99 PolarHBondContact O-N 2.91Å; R96-E100 WeakPolarHBondContact CG-OE1 3.38Å; R96-E100 IonicContact CZ-OE1 2.68Å; R96-E100 IonicContact CZ-OE2 3.89Å; R96-E100 IonicContact NE-OE1 3.7Å; R96-E100 PolarHBondContact NE-OE1 2.7Å; R96-E100 IonicContact NE-OE2 2.87Å; R96-E100 IonicContact NH2-OE1 3.57Å; R96-E100 PolarHBondContact NH2-OE1 3.34Å; R96-E100 IonicContact NH2-OE2 3.33Å; R96-E100 PolarHBondContact NH2-OE2 2.99Å; R96-E100 WeakPolarHBondContact O-CA 3.3Å; R96-E100 WeakPolarHBondContact O-CB 3.29Å; R96-E100 WeakPolarHBondContact O-CG 3.25Å; R96-E100 PolarHBondContact O-N 3.15Å
97	M	98.3	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-42.1	173.9	-73.9	174.6	179.2	0	0	111	T48 I49 I83 R93 S94 V95 L99 V101 I107	T48-M97 HydrophobicContact CG2-CE 3.5Å; T48-M97 VanDerWaalsContact CG2-CE 3.5Å; I49-M97 HydrophobicContact CD1-CB 4.16Å; I49-M97 HydrophobicContact CD1-CG 3.42Å; I49-M97 VanDerWaalsContact CD1-CG 3.42Å; I83-M97 HydrophobicContact CD1-SD 4.46Å; I83-M97 HydrophobicContact CG2-SD 3.78Å; R93-M97 HydrophobicContact CG-CE 3.56Å; R93-M97 HydrophobicContact CG-CG 4.46Å; R93-M97 HydrophobicContact CG-SD 4.2Å; R93-M97 WeakPolarHBondContact O-CB 3.45Å; R93-M97 VanDerWaalsContact O-CG 3.31Å; R93-M97 WeakPolarHBondContact O-CG 3.38Å; R93-M97 PolarHBondContact O-N 3.18Å; S94-M97 PolarHBondContact O-N 3.05Å; V95-M97 PolarHBondContact O-N 3.45Å; M97-L99 VanDerWaalsContact C-N 3.31Å; M97-L99 PolarHBondContact O-N 2.85Å; M97-V101 HydrophobicContact CB-CG2 4.29Å; M97-V101 HydrophobicContact CG-CG2 4.31Å; M97-V101 VanDerWaalsContact O-CB 3.24Å; M97-V101 WeakPolarHBondContact O-CB 3.19Å; M97-V101 PolarHBondContact O-N 3.45Å; M97-V101 VanDerWaalsContact O-N 3.08Å; M97-I107 HydrophobicContact CB-CD1 3.76Å
98	A	98.2	Very high	96.7	Very high	14 Å²	14	23.8 Å²	23.8	12%	0.116	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-35.6	177.6	0	0	0	0	0	113.1	S94 V95 R96 I107 V129 I132 V133	S94-A98 PolarHBondContact O-N 2.83Å; V95-A98 WeakPolarHBondContact O-CB 3.39Å; V95-A98 PolarHBondContact O-N 3.34Å; R96-A98 VanDerWaalsContact C-N 3.31Å; R96-A98 PolarHBondContact O-N 3.47Å; A98-I107 HydrophobicContact CB-CD1 3.78Å; A98-V129 HydrophobicContact CB-CB 3.81Å; A98-V129 HydrophobicContact CB-CG1 3.8Å; A98-V129 HydrophobicContact CB-CG2 4.31Å; A98-I132 HydrophobicContact CB-CB 4.48Å; A98-I132 HydrophobicContact CB-CG2 4.29Å; A98-V133 HydrophobicContact CB-CG2 3.64Å
99	L	97.9	Very high	96.8	Very high	70 Å²	70	23.6 Å²	23.6	37%	0.366	15%	0.146	S	C	.	.	H	α-helix	trans	-88.5	-34.1	-176.8	-65.6	173.1	0	0	0	113.9	C26 A27 V95 R96 M97 N127 V129	C26-L99 HydrophobicContact CB-CB 4.1Å; C26-L99 HydrophobicContact CB-CD1 4.17Å; C26-L99 VanDerWaalsContact O-CD1 3.25Å; C26-L99 WeakPolarHBondContact O-CD1 3.31Å; A27-L99 HydrophobicContact CB-CD1 4.18Å; V95-L99 HydrophobicContact CG1-CD1 3.86Å; V95-L99 WeakPolarHBondContact O-CG 3.46Å; V95-L99 PolarHBondContact O-N 3.26Å; R96-L99 PolarHBondContact O-N 2.91Å; M97-L99 VanDerWaalsContact C-N 3.31Å; M97-L99 PolarHBondContact O-N 2.85Å; L99-N127 HydrophobicContact CD1-CB 4.41Å; L99-V129 HydrophobicContact CD2-CG1 3.49Å; L99-V129 VanDerWaalsContact CD2-CG1 3.49Å; L99-V129 HydrophobicContact CG-CG1 3.82Å
100	E	97.3	Very high	97	Very high	36 Å²	36	21.4 Å²	21.4	17%	0.168	13%	0.128	C	C	.	.	H	α-helix	trans	-113	-17.8	-166.4	-59.5	174.3	-136.2	0	0	113.8	R25 C26 I49 N53 R96	R25-E100 WeakPolarHBondContact CB-OE1 3.25Å; C26-E100 HydrophobicContact CB-CG 4.05Å; I49-E100 HydrophobicContact CG2-CB 3.62Å; N53-E100 PolarHBondContact ND2-O 3.26Å; R96-E100 WeakPolarHBondContact CG-OE1 3.38Å; R96-E100 IonicContact CZ-OE1 2.68Å; R96-E100 IonicContact CZ-OE2 3.89Å; R96-E100 IonicContact NE-OE1 3.7Å; R96-E100 PolarHBondContact NE-OE1 2.7Å; R96-E100 IonicContact NE-OE2 2.87Å; R96-E100 IonicContact NH2-OE1 3.57Å; R96-E100 PolarHBondContact NH2-OE1 3.34Å; R96-E100 IonicContact NH2-OE2 3.33Å; R96-E100 PolarHBondContact NH2-OE2 2.99Å; R96-E100 WeakPolarHBondContact O-CA 3.3Å; R96-E100 WeakPolarHBondContact O-CB 3.29Å; R96-E100 WeakPolarHBondContact O-CG 3.25Å; R96-E100 PolarHBondContact O-N 3.15Å
101	V	97.1	Very high	97.1	Very high	10 Å²	10	22.2 Å²	22.2	6%	0.061	13%	0.132	C	C	.	.	S	Bend	trans	-91	125.3	176.8	178.1	0	0	0	0	109.9	I49 V52 N53 L81 M97 V104	I49-V101 HydrophobicContact CD1-CG2 4.13Å; I49-V101 HydrophobicContact CG2-CG2 4.18Å; V52-V101 HydrophobicContact CB-CG2 4.23Å; V52-V101 HydrophobicContact CG1-CB 4.47Å; V52-V101 HydrophobicContact CG1-CG1 3.7Å; V52-V101 HydrophobicContact CG1-CG2 3.91Å; N53-V101 WeakPolarHBondContact OD1-CA 3.41Å; L81-V101 HydrophobicContact CD1-CG1 4.24Å; M97-V101 HydrophobicContact CB-CG2 4.29Å; M97-V101 HydrophobicContact CG-CG2 4.31Å; M97-V101 VanDerWaalsContact O-CB 3.24Å; M97-V101 WeakPolarHBondContact O-CB 3.19Å; M97-V101 PolarHBondContact O-N 3.45Å; M97-V101 VanDerWaalsContact O-N 3.08Å; V101-V104 HydrophobicContact CB-CG2 3.67Å; V101-V104 HydrophobicContact CG1-CG2 3.56Å
102	S	92.5	Very high	97.2	Very high	69 Å²	69	27.8 Å²	27.8	48%	0.483	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	140.7	176	59.4	0	0	0	0	112.1	N53	N53-S102 PolarHBondContact OD1-N 2.86Å; N53-S102 PolarHBondContact OD1-OG 3.39Å
103	N	92.5	Very high	97.2	Very high	88 Å²	88	29.2 Å²	29.2	47%	0.471	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	48.8	174.2	-165.8	45.8	0	0	0	114.5	G80 L81	G80-N103 CarbonylContact C-O 3.58Å; G80-N103 WeakPolarHBondContact CA-O 3.27Å; L81-N103 PolarHBondContact N-O 3.01Å
104	V	96.8	Very high	97.3	Very high	22 Å²	22	32.6 Å²	32.6	13%	0.133	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.1	169.6	178.1	0	0	0	0	109.6	I83 V101 I107 I132	I83-V104 HydrophobicContact CD1-CG1 4.27Å; I83-V104 HydrophobicContact CD1-CG2 4Å; V101-V104 HydrophobicContact CB-CG2 3.67Å; V101-V104 HydrophobicContact CG1-CG2 3.56Å; V104-I107 HydrophobicContact CG1-CD1 3.83Å; V104-I107 HydrophobicContact CG1-CG1 3.65Å; V104-I132 HydrophobicContact CB-CG2 4.39Å; V104-I132 HydrophobicContact CG1-CG2 3.66Å
105	S	96	Very high	97.1	Very high	56 Å²	56	39 Å²	39	39%	0.392	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-41.9	174.7	65.5	0	0	0	0	112.1	G80 L81	G80-S105 WeakPolarHBondContact O-CB 3.18Å; G80-S105 PolarHBondContact O-OG 2.97Å; G80-S105 VanDerWaalsContact O-OG 3.07Å; L81-S105 PolarHBondContact O-N 2.85Å; L81-S105 PolarHBondContact O-OG 3.5Å
106	S	97.9	Very high	97	Very high	36 Å²	36	39.8 Å²	39.8	25%	0.252	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	142.4	-173.4	58	0	0	0	0	110.4	L81 K82 I83 I132	L81-S106 PolarHBondContact O-N 2.72Å; K82-S106 WeakPolarHBondContact CA-O 3.38Å; K82-S106 WeakPolarHBondContact CG-OG 3.21Å; I83-S106 PolarHBondContact N-O 3.27Å; S106-I132 CarbonylContact C-O 3.55Å; S106-I132 WeakPolarHBondContact CA-O 3.21Å
107	I	98.7	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.7	174.4	-63.5	159.8	0	0	0	108.3	I83 S94 M97 A98 V104 I132 V133 S134	I83-I107 HydrophobicContact CB-CG1 4.03Å; I83-I107 HydrophobicContact CD1-CG1 4.49Å; I83-I107 CarbonylContact O-C 3.4Å; I83-I107 WeakPolarHBondContact O-CA 3.31Å; S94-I107 WeakPolarHBondContact O-CD1 3.35Å; M97-I107 HydrophobicContact CB-CD1 3.76Å; A98-I107 HydrophobicContact CB-CD1 3.78Å; V104-I107 HydrophobicContact CG1-CD1 3.83Å; V104-I107 HydrophobicContact CG1-CG1 3.65Å; I107-I132 HydrophobicContact CD1-CG2 4.06Å; I107-I132 HydrophobicContact CG1-CG2 4.25Å; I107-I132 PolarHBondContact N-O 3.07Å; I107-V133 HydrophobicContact CB-CG1 4.5Å; I107-V133 HydrophobicContact CB-CG2 4.2Å; I107-V133 HydrophobicContact CD1-CG2 4.1Å; I107-V133 HydrophobicContact CG2-CG1 4.37Å; I107-S134 PolarHBondContact O-N 2.86Å; I107-S134 PolarHBondContact O-OG 3.38Å
108	I	98.7	Very high	97	Very high	17 Å²	17	42 Å²	42	9%	0.087	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.1	165.3	-59.9	-173.2	0	0	0	107.9	I83 L84 E85 S134 V136 L143 F154	I83-I108 PolarHBondContact O-N 3.27Å; L84-I108 HydrophobicContact CD1-CB 3.95Å; L84-I108 HydrophobicContact CD1-CG2 3.91Å; E85-I108 PolarHBondContact N-O 3.14Å; I108-S134 WeakPolarHBondContact CA-O 3.31Å; I108-V136 HydrophobicContact CG2-CB 4.23Å; I108-V136 HydrophobicContact CG2-CG2 3.71Å; I108-L143 HydrophobicContact CG2-CD2 4.11Å; I108-F154 HydrophobicContact CB-CE1 4.43Å; I108-F154 HydrophobicContact CD1-CE1 3.81Å; I108-F154 HydrophobicContact CD1-CZ 3.86Å; I108-F154 HydrophobicContact CG1-CE1 4.14Å
109	A	98.7	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	106.3	172.1	0	0	0	0	0	108.8	A88 S94 I120 V133 S134 T135 V136	A88-A109 HydrophobicContact CB-CB 4Å; S94-A109 WeakPolarHBondContact OG-CB 3.47Å; A109-I120 HydrophobicContact CB-CG2 3.78Å; A109-V133 HydrophobicContact CB-CG1 4.07Å; A109-S134 PolarHBondContact N-O 2.94Å; A109-T135 WeakPolarHBondContact O-CA 3.48Å; A109-V136 PolarHBondContact O-N 2.88Å
110	N	98.6	Very high	96.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.1	-177.1	179.9	75.8	0	0	0	111.9	E85 A86 A88 V136 G138 L143	E85-N110 PolarHBondContact O-N 2.92Å; A86-N110 CarbonylContact C-O 3.59Å; A86-N110 PolarHBondContact O-ND2 3.44Å; A88-N110 WeakPolarHBondContact CB-O 3.4Å; A88-N110 PolarHBondContact N-O 3.33Å; N110-V136 WeakPolarHBondContact CA-O 3.5Å; N110-V136 PolarHBondContact OD1-O 3.04Å; N110-G138 PolarHBondContact ND2-O 3.01Å; N110-G138 PolarHBondContact OD1-N 3.49Å; N110-G138 PolarHBondContact OD1-O 2.87Å; N110-L143 HydrophobicContact CB-CD2 3.45Å; N110-L143 VanDerWaalsContact CB-CD2 3.45Å; N110-L143 VanDerWaalsContact CG-CD2 3.46Å; N110-L143 WeakPolarHBondContact OD1-CD2 3.42Å
111	D	98.1	Very high	97	Very high	28 Å²	28	41.5 Å²	41.5	15%	0.15	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	157.4	163.8	-154.7	-75	0	0	0	110.5	A89 S113 A116 V117 I120 V136 C137 G138	A89-D111 VanDerWaalsContact CA-OD2 3.25Å; A89-D111 WeakPolarHBondContact CA-OD2 3.42Å; A89-D111 PolarHBondContact N-OD2 2.9Å; D111-S113 PolarHBondContact OD1-N 3.41Å; D111-A116 HydrophobicContact CB-CB 3.92Å; D111-V117 HydrophobicContact CB-CG2 4.05Å; D111-I120 HydrophobicContact CB-CD1 4.2Å; D111-V136 PolarHBondContact N-O 3.47Å; D111-C137 WeakPolarHBondContact O-CA 3.21Å; D111-G138 PolarHBondContact O-N 2.73Å
112	L	97.2	Very high	97	Very high	117 Å²	117	47.1 Å²	47.1	61%	0.613	27%	0.266	S	S	*	.	S	Bend	trans	-79	-30.7	177.2	-176.4	66.4	0	0	0	111.4	P114 D139	L112-P114 WeakPolarHBondContact O-CD 3.25Å; L112-D139 HydrophobicContact CD1-CB 4.33Å
113	S	96.3	Very high	97.2	Very high	39 Å²	39	43.8 Å²	43.8	27%	0.273	24%	0.243	S	C	.	.			trans	-83.2	123	-177.8	160.2	0	0	0	0	111	D111 E115 A116 V117	D111-S113 PolarHBondContact OD1-N 3.41Å; S113-E115 PolarHBondContact O-N 2.86Å; S113-E115 PolarHBondContact OG-N 3.45Å; S113-E115 PolarHBondContact OG-OE2 2.97Å; S113-A116 WeakPolarHBondContact O-CB 3.46Å; S113-A116 PolarHBondContact O-N 3.04Å; S113-A116 VanDerWaalsContact O-N 3.12Å; S113-A116 PolarHBondContact OG-N 2.9Å; S113-A116 VanDerWaalsContact OG-N 3.1Å; S113-V117 WeakPolarHBondContact O-CG2 3.38Å; S113-V117 PolarHBondContact O-N 3.39Å
114	P	97.6	Very high	97.5	Very high	80 Å²	80	40 Å²	40	52%	0.519	22%	0.223	S	C	.	.	H	α-helix	trans	-56.5	-34.7	172.4	-25.5	35	0	0	0	113	L112 V117 A118	L112-P114 WeakPolarHBondContact O-CD 3.25Å; P114-V117 PolarHBondContact O-N 2.99Å; P114-A118 WeakPolarHBondContact O-CB 3.43Å; P114-A118 PolarHBondContact O-N 3.41Å
115	E	95.6	Very high	97.6	Very high	135 Å²	135	43.8 Å²	43.8	63%	0.631	25%	0.247	S	C	*	.	H	α-helix	trans	-66.6	-41.8	177	-55.8	75.5	-164.3	0	0	111.8	S113 A118 L119	S113-E115 PolarHBondContact O-N 2.86Å; S113-E115 PolarHBondContact OG-N 3.45Å; S113-E115 PolarHBondContact OG-OE2 2.97Å; E115-A118 PolarHBondContact O-N 3.12Å; E115-L119 WeakPolarHBondContact O-CB 3.48Å; E115-L119 PolarHBondContact O-N 3.47Å
116	A	95.6	Very high	97.6	Very high	15 Å²	15	44.8 Å²	44.8	12%	0.124	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-43.4	173.7	0	0	0	0	0	111	D111 S113 A118 L119 I120	D111-A116 HydrophobicContact CB-CB 3.92Å; S113-A116 WeakPolarHBondContact O-CB 3.46Å; S113-A116 PolarHBondContact O-N 3.04Å; S113-A116 VanDerWaalsContact O-N 3.12Å; S113-A116 PolarHBondContact OG-N 2.9Å; S113-A116 VanDerWaalsContact OG-N 3.1Å; A116-A118 PolarHBondContact O-N 3.42Å; A116-L119 WeakPolarHBondContact O-CA 3.47Å; A116-L119 WeakPolarHBondContact O-CB 3.43Å; A116-L119 PolarHBondContact O-N 2.86Å; A116-L119 VanDerWaalsContact O-N 3.12Å; A116-I120 VanDerWaalsContact O-CG1 3.25Å; A116-I120 WeakPolarHBondContact O-CG1 3.2Å; A116-I120 PolarHBondContact O-N 2.55Å
117	V	97.8	Very high	97.7	Very high	11 Å²	11	44 Å²	44	7%	0.067	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-44.8	176.3	173.9	0	0	0	0	112	D111 S113 P114 L119 I120 Q121 V136 C137	D111-V117 HydrophobicContact CB-CG2 4.05Å; S113-V117 WeakPolarHBondContact O-CG2 3.38Å; S113-V117 PolarHBondContact O-N 3.39Å; P114-V117 PolarHBondContact O-N 2.99Å; V117-L119 VanDerWaalsContact C-N 3.26Å; V117-L119 PolarHBondContact O-N 3.35Å; V117-I120 PolarHBondContact O-N 2.96Å; V117-Q121 WeakPolarHBondContact O-CG 3.32Å; V117-Q121 PolarHBondContact O-N 2.81Å; V117-V136 WeakPolarHBondContact CG2-O 3.26Å; V117-C137 HydrophobicContact CB-CB 4.35Å; V117-C137 HydrophobicContact CG1-CB 4.29Å; V117-C137 HydrophobicContact CG2-CB 3.8Å
118	A	97.5	Very high	97.6	Very high	39 Å²	39	50.8 Å²	50.8	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-61.1	-36.6	174.7	0	0	0	0	0	111.9	P114 E115 A116 K122	P114-A118 WeakPolarHBondContact O-CB 3.43Å; P114-A118 PolarHBondContact O-N 3.41Å; E115-A118 PolarHBondContact O-N 3.12Å; A116-A118 PolarHBondContact O-N 3.42Å; A118-K122 WeakPolarHBondContact O-CG 3.45Å; A118-K122 PolarHBondContact O-N 3.44Å; A118-K122 VanDerWaalsContact O-N 3.14Å
119	L	96.8	Very high	97.6	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-44.4	174.2	-179	60	0	0	0	112.2	M30 L31 P32 V35 E115 A116 V117 Q121 K122 N123	M30-L119 HydrophobicContact CE-CD1 3.75Å; M30-L119 WeakPolarHBondContact O-CD1 3.33Å; L31-L119 HydrophobicContact CD2-CD2 4.45Å; P32-L119 HydrophobicContact CG-CD1 4.01Å; V35-L119 HydrophobicContact CG1-CD2 4.13Å; E115-L119 WeakPolarHBondContact O-CB 3.48Å; E115-L119 PolarHBondContact O-N 3.47Å; A116-L119 WeakPolarHBondContact O-CA 3.47Å; A116-L119 WeakPolarHBondContact O-CB 3.43Å; A116-L119 PolarHBondContact O-N 2.86Å; A116-L119 VanDerWaalsContact O-N 3.12Å; V117-L119 VanDerWaalsContact C-N 3.26Å; V117-L119 PolarHBondContact O-N 3.35Å; L119-Q121 VanDerWaalsContact C-N 3.32Å; L119-Q121 PolarHBondContact O-N 3.14Å; L119-K122 PolarHBondContact O-N 3.21Å; L119-N123 PolarHBondContact O-N 3.37Å; L119-N123 PolarHBondContact O-ND2 3.47Å
120	I	97.7	Very high	97.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.6	-47.4	175.4	-64.3	161.7	0	0	0	109.7	A88 A89 A109 D111 A116 V117 K122 N123 V124 T135	A88-I120 HydrophobicContact CB-CD1 3.68Å; A89-I120 WeakPolarHBondContact O-CD1 3.31Å; A89-I120 VanDerWaalsContact O-CG1 3.29Å; A89-I120 WeakPolarHBondContact O-CG1 3.22Å; A109-I120 HydrophobicContact CB-CG2 3.78Å; D111-I120 HydrophobicContact CB-CD1 4.2Å; A116-I120 VanDerWaalsContact O-CG1 3.25Å; A116-I120 WeakPolarHBondContact O-CG1 3.2Å; A116-I120 PolarHBondContact O-N 2.55Å; V117-I120 PolarHBondContact O-N 2.96Å; I120-K122 VanDerWaalsContact C-N 3.33Å; I120-K122 PolarHBondContact O-N 3.13Å; I120-N123 PolarHBondContact O-N 2.87Å; I120-N123 VanDerWaalsContact O-N 3.14Å; I120-V124 HydrophobicContact CG2-CG2 4.06Å; I120-V124 WeakPolarHBondContact O-CB 3.48Å; I120-V124 VanDerWaalsContact O-CG2 3.28Å; I120-V124 WeakPolarHBondContact O-CG2 3.45Å; I120-V124 PolarHBondContact O-N 3.21Å; I120-T135 HydrophobicContact CB-CG2 4.11Å; I120-T135 HydrophobicContact CG2-CG2 3.48Å; I120-T135 VanDerWaalsContact CG2-CG2 3.48Å
121	Q	98.3	Very high	97.5	Very high	97 Å²	97	58 Å²	58	45%	0.453	33%	0.334	S	S	.	.	H	α-helix	trans	-58.1	-44.1	178.9	-72	174.4	-10.4	0	0	112.2	V117 L119 N123 V124 T125 T135	V117-Q121 WeakPolarHBondContact O-CG 3.32Å; V117-Q121 PolarHBondContact O-N 2.81Å; L119-Q121 VanDerWaalsContact C-N 3.32Å; L119-Q121 PolarHBondContact O-N 3.14Å; Q121-N123 PolarHBondContact O-N 3.38Å; Q121-V124 PolarHBondContact O-N 2.95Å; Q121-T125 PolarHBondContact O-N 3.16Å; Q121-T125 PolarHBondContact O-OG1 2.68Å; Q121-T125 VanDerWaalsContact O-OG1 3.12Å; Q121-T135 HydrophobicContact CG-CG2 3.64Å; Q121-T135 WeakPolarHBondContact CG-OG1 3.49Å; Q121-T135 PolarHBondContact NE2-OG1 3.5Å
122	K	97.5	Very high	97.4	Very high	127 Å²	127	58.9 Å²	58.9	55%	0.552	34%	0.338	S	S	*	.	H	α-helix	trans	-60	-45.6	175.1	-71.4	177.3	-176.8	-177.9	0	111.7	M30 A118 L119 I120 T125 H126	M30-K122 HydrophobicContact CE-CB 4.37Å; M30-K122 HydrophobicContact CE-CD 3.68Å; A118-K122 WeakPolarHBondContact O-CG 3.45Å; A118-K122 PolarHBondContact O-N 3.44Å; A118-K122 VanDerWaalsContact O-N 3.14Å; L119-K122 PolarHBondContact O-N 3.21Å; I120-K122 VanDerWaalsContact C-N 3.33Å; I120-K122 PolarHBondContact O-N 3.13Å; K122-T125 PolarHBondContact O-N 3.35Å; K122-H126 VanDerWaalsContact O-CB 3.31Å; K122-H126 WeakPolarHBondContact O-CB 3.36Å; K122-H126 PolarHBondContact O-N 2.68Å
123	N	98	Very high	97.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.2	-37.6	179.2	-72.3	-28.6	0	0	0	112.5	V29 M30 S90 V95 L119 I120 Q121 H126 N127	V29-N123 HydrophobicContact CB-CB 4.47Å; V29-N123 HydrophobicContact CG1-CB 4.13Å; M30-N123 PolarHBondContact N-OD1 2.76Å; M30-N123 PolarHBondContact O-ND2 2.91Å; M30-N123 PolarHBondContact O-OD1 2.75Å; S90-N123 PolarHBondContact O-ND2 3.47Å; V95-N123 HydrophobicContact CG2-CB 4.49Å; L119-N123 PolarHBondContact O-N 3.37Å; L119-N123 PolarHBondContact O-ND2 3.47Å; I120-N123 PolarHBondContact O-N 2.87Å; I120-N123 VanDerWaalsContact O-N 3.14Å; Q121-N123 PolarHBondContact O-N 3.38Å; N123-H126 PolarHBondContact O-N 2.52Å; N123-N127 PolarHBondContact O-N 2.92Å; N123-N127 PolarHBondContact O-ND2 2.85Å
124	V	98.3	Very high	97.6	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-45.4	175.3	164.7	0	0	0	0	111.1	V95 I120 Q121 N128 V129 G130 V133	V95-V124 HydrophobicContact CG2-CG2 4.38Å; I120-V124 HydrophobicContact CG2-CG2 4.06Å; I120-V124 WeakPolarHBondContact O-CB 3.48Å; I120-V124 VanDerWaalsContact O-CG2 3.28Å; I120-V124 WeakPolarHBondContact O-CG2 3.45Å; I120-V124 PolarHBondContact O-N 3.21Å; Q121-V124 PolarHBondContact O-N 2.95Å; V124-N128 PolarHBondContact O-N 2.99Å; V124-V129 HydrophobicContact CB-CG2 4.36Å; V124-V129 HydrophobicContact CG1-CG2 4.16Å; V124-V129 HydrophobicContact CG2-CG2 4.4Å; V124-V129 PolarHBondContact O-N 3.09Å; V124-G130 VanDerWaalsContact CG1-CA 3.42Å; V124-V133 HydrophobicContact CG1-CB 4.1Å; V124-V133 HydrophobicContact CG2-CB 3.83Å; V124-V133 HydrophobicContact CG2-CG1 3.53Å
125	T	97.9	Very high	97.6	Very high	103 Å²	103	52.3 Å²	52.3	63%	0.632	30%	0.302	S	S	*	.	H	α-helix	trans	-65.6	-45.4	175.4	-58.7	0	0	0	0	111.3	Q121 K122 N127 N128	Q121-T125 PolarHBondContact O-N 3.16Å; Q121-T125 PolarHBondContact O-OG1 2.68Å; Q121-T125 VanDerWaalsContact O-OG1 3.12Å; K122-T125 PolarHBondContact O-N 3.35Å; T125-N127 VanDerWaalsContact C-N 3.26Å; T125-N127 PolarHBondContact O-N 3.37Å; T125-N128 PolarHBondContact O-N 3.44Å
126	H	97.7	Very high	97.8	Very high	76 Å²	76	48.1 Å²	48.1	35%	0.352	29%	0.285	S	S	.	.	H	α-helix	trans	-57	-38	179.2	-174.7	77.1	0	0	0	112.9	Y21 E28 K122 N123	Y21-H126 AromaticContact CE1-CE1 3.67Å; Y21-H126 AromaticContact CE1-NE2 3.83Å; E28-H126 PolarHBondContact O-CD2 3.46Å; E28-H126 VanDerWaalsContact O-CD2 3.29Å; E28-H126 IonicContact OE2-CD2 2.79Å; E28-H126 IonicContact OE2-CE1 3.97Å; E28-H126 IonicContact OE2-NE2 2.9Å; E28-H126 PolarHBondContact OE2-NE2 3.03Å; K122-H126 VanDerWaalsContact O-CB 3.31Å; K122-H126 WeakPolarHBondContact O-CB 3.36Å; K122-H126 PolarHBondContact O-N 2.68Å; N123-H126 PolarHBondContact O-N 2.52Å
127	N	98.2	Very high	97.9	Very high	21 Å²	21	50.7 Å²	50.7	11%	0.112	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4	179.3	-69.3	-95.3	0	0	0	113.6	E28 V95 L99 N123 T125 V129	E28-N127 PolarHBondContact N-OD1 3.12Å; E28-N127 PolarHBondContact O-ND2 3.41Å; E28-N127 PolarHBondContact O-OD1 3Å; V95-N127 HydrophobicContact CG1-CB 3.62Å; L99-N127 HydrophobicContact CD1-CB 4.41Å; N123-N127 PolarHBondContact O-N 2.92Å; N123-N127 PolarHBondContact O-ND2 2.85Å; T125-N127 VanDerWaalsContact C-N 3.26Å; T125-N127 PolarHBondContact O-N 3.37Å; N127-V129 VanDerWaalsContact C-N 3.28Å; N127-V129 HydrophobicContact CB-CG1 4.38Å; N127-V129 HydrophobicContact CB-CG2 4.2Å; N127-V129 PolarHBondContact O-N 3.19Å
128	N	97.9	Very high	97.9	Very high	142 Å²	142	51.2 Å²	51.2	76%	0.759	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	36.7	-178.3	-57.2	-62.8	0	0	0	114.2	V124 T125	V124-N128 PolarHBondContact O-N 2.99Å; T125-N128 PolarHBondContact O-N 3.44Å
129	V	98.2	Very high	97.9	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.036	31%	0.31	C	S	.	.			trans	-108.4	13.2	-179	-64.5	0	0	0	0	114	V95 A98 L99 V124 N127 S131 I132 V133	V95-V129 HydrophobicContact CG1-CG2 4.39Å; V95-V129 HydrophobicContact CG2-CG2 4.21Å; A98-V129 HydrophobicContact CB-CB 3.81Å; A98-V129 HydrophobicContact CB-CG1 3.8Å; A98-V129 HydrophobicContact CB-CG2 4.31Å; L99-V129 HydrophobicContact CD2-CG1 3.49Å; L99-V129 VanDerWaalsContact CD2-CG1 3.49Å; L99-V129 HydrophobicContact CG-CG1 3.82Å; V124-V129 HydrophobicContact CB-CG2 4.36Å; V124-V129 HydrophobicContact CG1-CG2 4.16Å; V124-V129 HydrophobicContact CG2-CG2 4.4Å; V124-V129 PolarHBondContact O-N 3.09Å; N127-V129 VanDerWaalsContact C-N 3.28Å; N127-V129 HydrophobicContact CB-CG1 4.38Å; N127-V129 HydrophobicContact CB-CG2 4.2Å; N127-V129 PolarHBondContact O-N 3.19Å; V129-S131 PolarHBondContact O-N 2.98Å; V129-I132 PolarHBondContact O-N 2.82Å; V129-V133 HydrophobicContact CB-CG2 4.13Å; V129-V133 HydrophobicContact CG2-CB 4.44Å; V129-V133 HydrophobicContact CG2-CG2 3.85Å; V129-V133 PolarHBondContact O-N 2.85Å
130	G	97.4	Very high	98	Very high	51 Å²	51	52 Å²	52	53%	0.526	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.9	-178	0	0	0	0	0	115.5	V124 I132	V124-G130 VanDerWaalsContact CG1-CA 3.42Å; G130-I132 VanDerWaalsContact C-N 3.29Å
131	S	97.2	Very high	98	Very high	112 Å²	112	54.1 Å²	54.1	78%	0.783	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.5	172	55.3	0	0	0	0	113.3	V129	V129-S131 PolarHBondContact O-N 2.98Å
132	I	97.5	Very high	98	Very high	46 Å²	46	54 Å²	54	24%	0.236	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-41.4	-177.6	-59	173.7	0	0	0	110.5	A98 V104 S106 I107 V129 G130	A98-I132 HydrophobicContact CB-CB 4.48Å; A98-I132 HydrophobicContact CB-CG2 4.29Å; V104-I132 HydrophobicContact CB-CG2 4.39Å; V104-I132 HydrophobicContact CG1-CG2 3.66Å; S106-I132 CarbonylContact C-O 3.55Å; S106-I132 WeakPolarHBondContact CA-O 3.21Å; I107-I132 HydrophobicContact CD1-CG2 4.06Å; I107-I132 HydrophobicContact CG1-CG2 4.25Å; I107-I132 PolarHBondContact N-O 3.07Å; V129-I132 PolarHBondContact O-N 2.82Å; G130-I132 VanDerWaalsContact C-N 3.29Å
133	V	98.5	Very high	98.1	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.036	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121	-174.4	-171.4	0	0	0	0	110.5	A98 I107 A109 V124 V129	A98-V133 HydrophobicContact CB-CG2 3.64Å; I107-V133 HydrophobicContact CB-CG1 4.5Å; I107-V133 HydrophobicContact CB-CG2 4.2Å; I107-V133 HydrophobicContact CD1-CG2 4.1Å; I107-V133 HydrophobicContact CG2-CG1 4.37Å; A109-V133 HydrophobicContact CB-CG1 4.07Å; V124-V133 HydrophobicContact CG1-CB 4.1Å; V124-V133 HydrophobicContact CG2-CB 3.83Å; V124-V133 HydrophobicContact CG2-CG1 3.53Å; V129-V133 HydrophobicContact CB-CG2 4.13Å; V129-V133 HydrophobicContact CG2-CB 4.44Å; V129-V133 HydrophobicContact CG2-CG2 3.85Å; V129-V133 PolarHBondContact O-N 2.85Å
134	S	98.2	Very high	98.1	Very high	57 Å²	57	48.4 Å²	48.4	40%	0.399	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	148.5	170.4	60.8	0	0	0	0	110	I107 I108 A109	I107-S134 PolarHBondContact O-N 2.86Å; I107-S134 PolarHBondContact O-OG 3.38Å; I108-S134 WeakPolarHBondContact CA-O 3.31Å; A109-S134 PolarHBondContact N-O 2.94Å
135	T	98.4	Very high	98.1	Very high	35 Å²	35	51.9 Å²	51.9	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.7	-178.4	62.6	0	0	0	0	111.4	A109 I120 Q121	A109-T135 WeakPolarHBondContact O-CA 3.48Å; I120-T135 HydrophobicContact CB-CG2 4.11Å; I120-T135 HydrophobicContact CG2-CG2 3.48Å; I120-T135 VanDerWaalsContact CG2-CG2 3.48Å; Q121-T135 HydrophobicContact CG-CG2 3.64Å; Q121-T135 WeakPolarHBondContact CG-OG1 3.49Å; Q121-T135 PolarHBondContact NE2-OG1 3.5Å
136	V	98.3	Very high	98	Very high	47 Å²	47	52.6 Å²	52.6	29%	0.285	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.6	173	177.5	0	0	0	0	109.3	I108 A109 N110 D111 V117 L143	I108-V136 HydrophobicContact CG2-CB 4.23Å; I108-V136 HydrophobicContact CG2-CG2 3.71Å; A109-V136 PolarHBondContact O-N 2.88Å; N110-V136 WeakPolarHBondContact CA-O 3.5Å; N110-V136 PolarHBondContact OD1-O 3.04Å; D111-V136 PolarHBondContact N-O 3.47Å; V117-V136 WeakPolarHBondContact CG2-O 3.26Å; V136-L143 HydrophobicContact CB-CD2 4.36Å; V136-L143 HydrophobicContact CG1-CD1 4.11Å; V136-L143 HydrophobicContact CG1-CD2 4.28Å
137	C	98.5	Very high	98	Very high	70 Å²	70	50.4 Å²	50.4	47%	0.473	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	106.7	171.4	-168.7	0	0	0	0	108.7	D111 V117	D111-C137 WeakPolarHBondContact O-CA 3.21Å; V117-C137 HydrophobicContact CB-CB 4.35Å; V117-C137 HydrophobicContact CG1-CB 4.29Å; V117-C137 HydrophobicContact CG2-CB 3.8Å
138	G	97.6	Very high	97.8	Very high	21 Å²	21	54.5 Å²	54.5	22%	0.216	32%	0.316	C	S	.	.	S	Bend	trans	-178.2	167.1	-176.6	0	0	0	0	0	114.4	N110 D111 A140	N110-G138 PolarHBondContact ND2-O 3.01Å; N110-G138 PolarHBondContact OD1-N 3.49Å; N110-G138 PolarHBondContact OD1-O 2.87Å; D111-G138 PolarHBondContact O-N 2.73Å; G138-A140 PolarHBondContact O-N 3.28Å
139	D	98.4	Very high	97.6	Very high	62 Å²	62	52.7 Å²	52.7	33%	0.332	31%	0.306	S	S	.	.			trans	-65	131.9	171.1	-174.1	-78.6	0	0	0	110.3	L112 V141 D142 L143	L112-D139 HydrophobicContact CD1-CB 4.33Å; D139-V141 VanDerWaalsContact C-N 3.29Å; D139-V141 PolarHBondContact O-N 3.48Å; D139-V141 WeakPolarHBondContact OD1-CA 3.3Å; D139-V141 WeakPolarHBondContact OD1-CB 3.44Å; D139-V141 PolarHBondContact OD1-N 2.9Å; D139-D142 HydrophobicContact CB-CB 4.18Å; D139-D142 PolarHBondContact O-N 2.83Å; D139-D142 PolarHBondContact OD1-N 2.87Å; D139-L143 WeakPolarHBondContact O-CB 3.32Å; D139-L143 PolarHBondContact O-N 2.87Å
140	A	98.5	Very high	97	Very high	7 Å²	7	58.7 Å²	58.7	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-36.6	-177.2	0	0	0	0	0	112.7	A86 L87 G138 M144 F168	A86-A140 HydrophobicContact CB-CB 4.13Å; L87-A140 HydrophobicContact CG-CB 4.36Å; G138-A140 PolarHBondContact O-N 3.28Å; A140-M144 HydrophobicContact CB-CE 4.45Å; A140-M144 WeakPolarHBondContact O-CB 3.41Å; A140-M144 VanDerWaalsContact O-CE 3.23Å; A140-M144 WeakPolarHBondContact O-CE 3.38Å; A140-M144 VanDerWaalsContact O-CG 3.26Å; A140-M144 WeakPolarHBondContact O-CG 3.37Å; A140-M144 PolarHBondContact O-N 3.3Å; A140-M144 VanDerWaalsContact O-N 3.08Å; A140-F168 HydrophobicContact CB-CD1 4.16Å; A140-F168 HydrophobicContact CB-CE1 4.05Å
141	V	98.5	Very high	96.6	Very high	43 Å²	43	65.4 Å²	65.4	26%	0.261	35%	0.352	S	S	.	.	H	α-helix	trans	-67.8	-46.4	178.4	-178.9	0	0	0	0	109.8	D139 M144 H145 F168 T171	D139-V141 VanDerWaalsContact C-N 3.29Å; D139-V141 PolarHBondContact O-N 3.48Å; D139-V141 WeakPolarHBondContact OD1-CA 3.3Å; D139-V141 WeakPolarHBondContact OD1-CB 3.44Å; D139-V141 PolarHBondContact OD1-N 2.9Å; V141-M144 PolarHBondContact O-N 3.23Å; V141-H145 VanDerWaalsContact O-CB 3.32Å; V141-H145 WeakPolarHBondContact O-CB 3.45Å; V141-H145 PolarHBondContact O-N 3.36Å; V141-F168 HydrophobicContact CG2-CD1 3.85Å; V141-F168 HydrophobicContact CG2-CE1 4.15Å; V141-T171 HydrophobicContact CG1-CG2 3.62Å
142	D	98.3	Very high	96.4	Very high	96 Å²	96	63.8 Å²	63.8	51%	0.513	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-46.5	178.4	-71.6	-22.8	0	0	0	111.6	D139 M144 H145 Q146	D139-D142 HydrophobicContact CB-CB 4.18Å; D139-D142 PolarHBondContact O-N 2.83Å; D139-D142 PolarHBondContact OD1-N 2.87Å; D142-M144 PolarHBondContact O-N 3.5Å; D142-H145 PolarHBondContact O-N 2.82Å; D142-H145 VanDerWaalsContact O-N 3.16Å; D142-Q146 VanDerWaalsContact O-CG 3.29Å; D142-Q146 WeakPolarHBondContact O-CG 3.24Å; D142-Q146 PolarHBondContact O-N 3Å
143	L	98.5	Very high	96.3	Very high	8 Å²	8	64.3 Å²	64.3	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-59.8	-46.8	177.9	178.7	63.5	0	0	0	111.8	L84 I108 N110 V136 D139 H145 Q146 H147	L84-L143 HydrophobicContact CD1-CD2 3.82Å; I108-L143 HydrophobicContact CG2-CD2 4.11Å; N110-L143 HydrophobicContact CB-CD2 3.45Å; N110-L143 VanDerWaalsContact CB-CD2 3.45Å; N110-L143 VanDerWaalsContact CG-CD2 3.46Å; N110-L143 WeakPolarHBondContact OD1-CD2 3.42Å; V136-L143 HydrophobicContact CB-CD2 4.36Å; V136-L143 HydrophobicContact CG1-CD1 4.11Å; V136-L143 HydrophobicContact CG1-CD2 4.28Å; D139-L143 WeakPolarHBondContact O-CB 3.32Å; D139-L143 PolarHBondContact O-N 2.87Å; L143-H145 VanDerWaalsContact C-N 3.3Å; L143-H145 PolarHBondContact O-N 3.41Å; L143-Q146 PolarHBondContact O-N 2.89Å; L143-H147 VanDerWaalsContact CD1-CE1 3.48Å; L143-H147 WeakPolarHBondContact CD1-CE1 3.17Å; L143-H147 PolarHBondContact O-N 3.27Å; L143-H147 PolarHBondContact O-ND1 3.4Å
144	M	98.6	Very high	96.3	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-38.3	176.5	-74.4	-172.1	-74.3	0	0	111.5	L84 A140 V141 D142 Q146 H147 V157 I159 F168 T171 A172 C175	L84-M144 HydrophobicContact CD2-CG 3.58Å; L84-M144 HydrophobicContact CD2-SD 4.38Å; A140-M144 HydrophobicContact CB-CE 4.45Å; A140-M144 WeakPolarHBondContact O-CB 3.41Å; A140-M144 VanDerWaalsContact O-CE 3.23Å; A140-M144 WeakPolarHBondContact O-CE 3.38Å; A140-M144 VanDerWaalsContact O-CG 3.26Å; A140-M144 WeakPolarHBondContact O-CG 3.37Å; A140-M144 PolarHBondContact O-N 3.3Å; A140-M144 VanDerWaalsContact O-N 3.08Å; V141-M144 PolarHBondContact O-N 3.23Å; D142-M144 PolarHBondContact O-N 3.5Å; M144-Q146 VanDerWaalsContact C-N 3.33Å; M144-Q146 PolarHBondContact O-N 3.48Å; M144-H147 PolarHBondContact O-N 3.31Å; M144-V157 HydrophobicContact SD-CG1 4.25Å; M144-I159 HydrophobicContact CE-CD1 4Å; M144-I159 HydrophobicContact SD-CD1 3.79Å; M144-F168 HydrophobicContact CE-CB 4.11Å; M144-F168 HydrophobicContact CE-CD1 4.28Å; M144-T171 VanDerWaalsContact CE-OG1 3.26Å; M144-T171 WeakPolarHBondContact CE-OG1 3.46Å; M144-A172 VanDerWaalsContact SD-CA 3.51Å; M144-A172 HydrophobicContact SD-CB 3.75Å; M144-C175 HydrophobicContact CB-CB 4.35Å; M144-C175 WeakPolarHBondContact O-CB 3.31Å
145	H	97	Very high	96.3	Very high	81 Å²	81	61.4 Å²	61.4	38%	0.375	31%	0.311	S	S	.	.	H	α-helix	trans	-64.7	-38.5	177.9	-162.2	65.4	0	0	0	111.7	V141 D142 L143 H147 R148 T171	V141-H145 VanDerWaalsContact O-CB 3.32Å; V141-H145 WeakPolarHBondContact O-CB 3.45Å; V141-H145 PolarHBondContact O-N 3.36Å; D142-H145 PolarHBondContact O-N 2.82Å; D142-H145 VanDerWaalsContact O-N 3.16Å; L143-H145 VanDerWaalsContact C-N 3.3Å; L143-H145 PolarHBondContact O-N 3.41Å; H145-H147 VanDerWaalsContact C-N 3.28Å; H145-H147 PolarHBondContact O-N 2.6Å; H145-R148 PolarHBondContact CD2-NH1 3.39Å; H145-R148 PolarHBondContact NE2-NH1 2.88Å; H145-R148 WeakPolarHBondContact O-CB 3.34Å; H145-R148 VanDerWaalsContact O-CD 3.31Å; H145-R148 WeakPolarHBondContact O-CD 3.32Å; H145-R148 WeakPolarHBondContact O-CG 3.09Å; H145-R148 PolarHBondContact O-N 3.23Å; H145-R148 PolarHBondContact O-NH1 2.82Å; H145-T171 HydrophobicContact CB-CG2 4.45Å
146	Q	97	Very high	96.3	Very high	118 Å²	118	59.8 Å²	59.8	55%	0.551	30%	0.301	S	S	*	.	H	α-helix	trans	-60.8	-37.2	174.4	-69.3	164.6	15.1	0	0	111.7	D142 L143 M144 R148	D142-Q146 VanDerWaalsContact O-CG 3.29Å; D142-Q146 WeakPolarHBondContact O-CG 3.24Å; D142-Q146 PolarHBondContact O-N 3Å; L143-Q146 PolarHBondContact O-N 2.89Å; M144-Q146 VanDerWaalsContact C-N 3.33Å; M144-Q146 PolarHBondContact O-N 3.48Å; Q146-R148 VanDerWaalsContact C-N 3.3Å; Q146-R148 PolarHBondContact O-N 2.87Å
147	H	97.7	Very high	96.3	Very high	29 Å²	29	57.5 Å²	57.5	13%	0.134	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	25.6	-177.8	-70.1	78.9	0	0	0	114.9	L143 M144 H145 E152 F154 C175	L143-H147 VanDerWaalsContact CD1-CE1 3.48Å; L143-H147 WeakPolarHBondContact CD1-CE1 3.17Å; L143-H147 PolarHBondContact O-N 3.27Å; L143-H147 PolarHBondContact O-ND1 3.4Å; M144-H147 PolarHBondContact O-N 3.31Å; H145-H147 VanDerWaalsContact C-N 3.28Å; H145-H147 PolarHBondContact O-N 2.6Å; H147-E152 HydrophobicContact CB-CB 4.48Å; H147-E152 PolarHBondContact CD2-O 2.92Å; H147-F154 HydrophobicContact CB-CD2 4.3Å; H147-F154 HydrophobicContact CB-CE2 3.48Å; H147-F154 VanDerWaalsContact CB-CE2 3.48Å; H147-F154 HydrophobicContact CB-CZ 4.16Å; H147-F154 AromaticContact CD2-CE2 3.7Å; H147-F154 AromaticContact CD2-CZ 3.45Å; H147-F154 VanDerWaalsContact CD2-CZ 3.45Å; H147-F154 WeakPolarHBondContact CD2-CZ 3.23Å; H147-F154 AromaticContact CG-CE2 3.55Å; H147-F154 AromaticContact CG-CZ 3.7Å; H147-F154 AromaticContact NE2-CZ 3.87Å; H147-C175 HydrophobicContact CB-CB 4.22Å
148	R	94.2	Very high	96.3	Very high	107 Å²	107	54.2 Å²	54.2	40%	0.404	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-19.3	179.7	70	-172.1	179.6	-90.9	8.1	113.9	H145 Q146 R153	H145-R148 PolarHBondContact CD2-NH1 3.39Å; H145-R148 PolarHBondContact NE2-NH1 2.88Å; H145-R148 WeakPolarHBondContact O-CB 3.34Å; H145-R148 VanDerWaalsContact O-CD 3.31Å; H145-R148 WeakPolarHBondContact O-CD 3.32Å; H145-R148 WeakPolarHBondContact O-CG 3.09Å; H145-R148 PolarHBondContact O-N 3.23Å; H145-R148 PolarHBondContact O-NH1 2.82Å; Q146-R148 VanDerWaalsContact C-N 3.3Å; Q146-R148 PolarHBondContact O-N 2.87Å; R148-R153 PolarHBondContact O-NE 2.93Å; R148-R153 PolarHBondContact O-NH2 2.81Å
149	L	92.8	Very high	96.4	Very high	104 Å²	104	53.2 Å²	53.2	55%	0.545	25%	0.254	S	S	.	.	S	Bend	trans	-70.3	143	-179.5	-62.2	-178.6	0	0	0	111.2	K151 E152 R153	L149-K151 VanDerWaalsContact C-N 3.25Å; L149-K151 PolarHBondContact O-N 3.39Å; L149-E152 PolarHBondContact O-N 2.96Å; L149-R153 WeakPolarHBondContact O-CG 3.46Å; L149-R153 PolarHBondContact O-N 3.33Å
150	L	86	Confident	96.3	Very high	133 Å²	133	51.8 Å²	51.8	70%	0.696	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-38.9	-167.9	-175.8	63.8	0	0	0	114	E152	L150-E152 VanDerWaalsContact C-N 3.33Å
151	K	88.3	Confident	96.2	Very high	191 Å²	191	51.8 Å²	51.8	83%	0.83	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.6	-178.1	-66.1	-176.6	178.2	-179.6	0	113.6	L149	L149-K151 VanDerWaalsContact C-N 3.25Å; L149-K151 PolarHBondContact O-N 3.39Å
152	E	92.6	Very high	95.8	Very high	79 Å²	79	55 Å²	55	37%	0.369	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-15.1	-171.7	-67	171.8	175.3	0	0	113.1	K82 H147 L149 L150	K82-E152 PolarHBondContact NZ-O 3.01Å; H147-E152 HydrophobicContact CB-CB 4.48Å; H147-E152 PolarHBondContact CD2-O 2.92Å; L149-E152 PolarHBondContact O-N 2.96Å; L150-E152 VanDerWaalsContact C-N 3.33Å
153	R	96.6	Very high	95.5	Very high	56 Å²	56	51.5 Å²	51.5	21%	0.211	24%	0.243	C	C	.	.			trans	-57.5	150.3	-178.8	-71.9	174.4	-174.6	172.2	2.9	113.7	R148 L149 Q174 C175 R177	R148-R153 PolarHBondContact O-NE 2.93Å; R148-R153 PolarHBondContact O-NH2 2.81Å; L149-R153 WeakPolarHBondContact O-CG 3.46Å; L149-R153 PolarHBondContact O-N 3.33Å; R153-Q174 PolarHBondContact NE-O 3.42Å; R153-C175 CarbonylContact C-O 3.59Å; R153-C175 WeakPolarHBondContact CA-O 3.48Å; R153-C175 VanDerWaalsContact CB-O 3.22Å; R153-C175 WeakPolarHBondContact CB-O 3.45Å; R153-C175 WeakPolarHBondContact CG-O 3.45Å; R153-R177 HydrophobicContact CB-CG 3.57Å; R153-R177 PolarHBondContact O-NE 3.2Å
154	F	98.1	Very high	95.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	151.7	179.4	-57.2	-84.9	0	0	0	112	K82 L84 I108 H147 V157 C175 R177	K82-F154 HydrophobicContact CD-CD1 3.95Å; K82-F154 HydrophobicContact CD-CE1 4.17Å; K82-F154 HydrophobicContact CG-CD1 3.72Å; K82-F154 HydrophobicContact CG-CE1 4.14Å; L84-F154 HydrophobicContact CB-CD1 3.65Å; L84-F154 HydrophobicContact CB-CD2 3.97Å; L84-F154 HydrophobicContact CB-CE1 3.71Å; L84-F154 HydrophobicContact CB-CE2 4Å; L84-F154 HydrophobicContact CB-CG 3.81Å; L84-F154 HydrophobicContact CB-CZ 3.89Å; L84-F154 HydrophobicContact CD1-CZ 4.29Å; L84-F154 HydrophobicContact CD2-CD2 4.12Å; L84-F154 HydrophobicContact CD2-CE2 3.77Å; L84-F154 HydrophobicContact CD2-CZ 4.16Å; L84-F154 HydrophobicContact CG-CE2 4.37Å; L84-F154 HydrophobicContact CG-CZ 4.34Å; I108-F154 HydrophobicContact CB-CE1 4.43Å; I108-F154 HydrophobicContact CD1-CE1 3.81Å; I108-F154 HydrophobicContact CD1-CZ 3.86Å; I108-F154 HydrophobicContact CG1-CE1 4.14Å; H147-F154 HydrophobicContact CB-CD2 4.3Å; H147-F154 HydrophobicContact CB-CE2 3.48Å; H147-F154 VanDerWaalsContact CB-CE2 3.48Å; H147-F154 HydrophobicContact CB-CZ 4.16Å; H147-F154 AromaticContact CD2-CE2 3.7Å; H147-F154 AromaticContact CD2-CZ 3.45Å; H147-F154 VanDerWaalsContact CD2-CZ 3.45Å; H147-F154 WeakPolarHBondContact CD2-CZ 3.23Å; H147-F154 AromaticContact CG-CE2 3.55Å; H147-F154 AromaticContact CG-CZ 3.7Å; H147-F154 AromaticContact NE2-CZ 3.87Å; F154-V157 HydrophobicContact CB-CG2 3.8Å; F154-V157 HydrophobicContact CD2-CG2 4.17Å; F154-V157 HydrophobicContact CG-CG2 4.23Å; F154-C175 HydrophobicContact CD2-CB 4.24Å; F154-C175 PolarHBondContact N-O 3.13Å; F154-R177 WeakPolarHBondContact O-CG 3.42Å; F154-R177 PolarHBondContact O-N 3.22Å
155	D	97.5	Very high	95.5	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-33.6	168.9	-58.8	-68	0	0	0	111	H59 L81 K82 R177 G180 L181	H59-D155 IonicContact NE2-OD1 2.72Å; L81-D155 HydrophobicContact CD2-CB 3.93Å; K82-D155 PolarHBondContact N-OD2 2.82Å; K82-D155 PolarHBondContact O-N 2.67Å; D155-R177 WeakPolarHBondContact OD1-CD 3.42Å; D155-R177 IonicContact OD1-CZ 3.65Å; D155-R177 IonicContact OD1-NE 3.43Å; D155-R177 IonicContact OD1-NH1 3.45Å; D155-R177 PolarHBondContact OD1-NH1 3.01Å; D155-R177 IonicContact OD2-CZ 2.81Å; D155-R177 IonicContact OD2-NH1 3.88Å; D155-R177 PolarHBondContact OD2-NH1 3.46Å; D155-G180 CarbonylContact O-C 3.56Å; D155-G180 VanDerWaalsContact O-CA 3.32Å; D155-G180 WeakPolarHBondContact O-CA 3.29Å; D155-L181 PolarHBondContact O-N 2.87Å
156	V	98.7	Very high	95.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.5	177.9	-173.4	0	0	0	0	109.9	V52 F55 K82 I83 L84 L181	V52-V156 HydrophobicContact CG1-CG2 4.3Å; V52-V156 HydrophobicContact CG2-CG1 4.16Å; F55-V156 HydrophobicContact CD1-CG2 3.74Å; F55-V156 HydrophobicContact CE1-CG2 3.56Å; K82-V156 PolarHBondContact O-N 2.79Å; I83-V156 CarbonylContact C-O 3.52Å; I83-V156 WeakPolarHBondContact CA-O 3.4Å; I83-V156 HydrophobicContact CB-CB 4.33Å; I83-V156 HydrophobicContact CD1-CG2 4.47Å; I83-V156 HydrophobicContact CG1-CB 3.98Å; I83-V156 HydrophobicContact CG1-CG2 4.17Å; I83-V156 HydrophobicContact CG2-CB 4.03Å; I83-V156 HydrophobicContact CG2-CG1 4.24Å; L84-V156 PolarHBondContact N-O 3.12Å; V156-L181 VanDerWaalsContact CA-O 3.31Å; V156-L181 WeakPolarHBondContact CA-O 3.38Å; V156-L181 HydrophobicContact CG1-CB 4.43Å; V156-L181 HydrophobicContact CG1-CD2 4.2Å; V156-L181 HydrophobicContact CG1-CG 4.45Å; V156-L181 HydrophobicContact CG2-CB 4.28Å; V156-L181 HydrophobicContact CG2-CD2 4.47Å
157	V	98.8	Very high	95.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.9	170.5	175.4	0	0	0	0	108.4	L84 M144 F154 I159 A172 L176 L181 L182 C183	L84-V157 HydrophobicContact CB-CG2 4.27Å; L84-V157 HydrophobicContact CD2-CG1 4.24Å; L84-V157 HydrophobicContact CD2-CG2 4.46Å; M144-V157 HydrophobicContact SD-CG1 4.25Å; F154-V157 HydrophobicContact CB-CG2 3.8Å; F154-V157 HydrophobicContact CD2-CG2 4.17Å; F154-V157 HydrophobicContact CG-CG2 4.23Å; V157-I159 HydrophobicContact CG1-CD1 3.8Å; V157-I159 HydrophobicContact CG1-CG1 4.11Å; V157-A172 HydrophobicContact CG1-CB 4.22Å; V157-L176 HydrophobicContact CB-CD1 4.45Å; V157-L176 HydrophobicContact CB-CD2 3.99Å; V157-L176 HydrophobicContact CB-CG 4.17Å; V157-L176 HydrophobicContact CG2-CD1 4.5Å; V157-L176 HydrophobicContact CG2-CD2 3.58Å; V157-L176 HydrophobicContact CG2-CG 3.72Å; V157-L181 PolarHBondContact N-O 2.89Å; V157-L182 HydrophobicContact CB-CD1 4.09Å; V157-L182 HydrophobicContact CG1-CD1 4.07Å; V157-C183 PolarHBondContact O-N 3.47Å
158	D	98.8	Very high	95.6	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.7	174.4	-170.9	59.6	0	0	0	110.8	L84 A86 R93 C183 R250	L84-D158 PolarHBondContact O-N 2.89Å; A86-D158 PolarHBondContact N-O 3.28Å; A86-D158 VanDerWaalsContact N-O 3.12Å; R93-D158 WeakPolarHBondContact CD-OD2 3.39Å; R93-D158 IonicContact CZ-OD2 3.33Å; R93-D158 IonicContact NE-OD2 2.81Å; R93-D158 PolarHBondContact NE-OD2 3.19Å; R93-D158 IonicContact NH1-OD2 2.86Å; D158-C183 VanDerWaalsContact OD1-CB 3.32Å; D158-C183 WeakPolarHBondContact OD1-CB 3.39Å; D158-R250 IonicContact OD1-CZ 3.53Å; D158-R250 IonicContact OD1-NH1 3.44Å; D158-R250 PolarHBondContact OD1-NH1 2.8Å; D158-R250 IonicContact OD1-NH2 2.69Å; D158-R250 PolarHBondContact OD1-NH2 2.96Å
159	I	98.7	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	101.1	177.8	-57.1	-57.2	0	0	0	107.7	A86 L87 M144 V157 P161 A165 F168 A172 L182 C183 V184 T185	A86-I159 HydrophobicContact CB-CD1 3.71Å; L87-I159 HydrophobicContact CD1-CG2 4.45Å; M144-I159 HydrophobicContact CE-CD1 4Å; M144-I159 HydrophobicContact SD-CD1 3.79Å; V157-I159 HydrophobicContact CG1-CD1 3.8Å; V157-I159 HydrophobicContact CG1-CG1 4.11Å; I159-P161 VanDerWaalsContact C-CD 3.41Å; I159-P161 HydrophobicContact CG2-CG 4.32Å; I159-A165 HydrophobicContact CG2-CB 4.25Å; I159-F168 HydrophobicContact CD1-CB 4.2Å; I159-F168 HydrophobicContact CG2-CB 3.72Å; I159-F168 HydrophobicContact CG2-CD2 4.03Å; I159-F168 HydrophobicContact CG2-CG 4.11Å; I159-A172 HydrophobicContact CD1-CB 4.09Å; I159-A172 HydrophobicContact CG1-CB 3.99Å; I159-L182 HydrophobicContact CG1-CD1 4.02Å; I159-C183 PolarHBondContact N-O 2.87Å; I159-V184 WeakPolarHBondContact O-CA 3.47Å; I159-T185 PolarHBondContact O-N 3.21Å
160	D	97.4	Very high	96.1	Very high	31 Å²	31	40.5 Å²	40.5	17%	0.166	21%	0.207	C	C	.	.			trans	-126.5	62.6	-179.2	-171.4	37.5	0	0	0	112.8	R93 T185	R93-D160 IonicContact CZ-OD2 3.36Å; R93-D160 IonicContact NH1-OD2 3.52Å; R93-D160 PolarHBondContact NH1-OD2 2.83Å; R93-D160 IonicContact NH2-OD2 3.63Å; R93-D160 PolarHBondContact NH2-OD2 2.87Å; D160-T185 WeakPolarHBondContact OD1-CB 3.46Å; D160-T185 WeakPolarHBondContact OD1-CG2 3.46Å; D160-T185 PolarHBondContact OD1-OG1 3.12Å
161	P	95.9	Very high	96.7	Very high	7 Å²	7	34.7 Å²	34.7	5%	0.045	18%	0.177	C	C	.	.			trans	-77.4	157.1	179.8	32.7	-35.9	0	0	0	112.4	L87 I159 G163 T164 A165 F168	L87-P161 HydrophobicContact CD1-CB 4.24Å; L87-P161 HydrophobicContact CD2-CB 3.92Å; I159-P161 VanDerWaalsContact C-CD 3.41Å; I159-P161 HydrophobicContact CG2-CG 4.32Å; P161-G163 PolarHBondContact O-N 3.34Å; P161-T164 VanDerWaalsContact CG-O 3.3Å; P161-T164 WeakPolarHBondContact CG-O 3.41Å; P161-A165 HydrophobicContact CG-CB 4.33Å; P161-F168 HydrophobicContact CB-CD2 4.24Å; P161-F168 HydrophobicContact CB-CE2 3.59Å; P161-F168 HydrophobicContact CB-CZ 4.33Å; P161-F168 HydrophobicContact CG-CD2 3.96Å; P161-F168 HydrophobicContact CG-CE2 3.78Å
162	F	89.6	Confident	97.1	Very high	110 Å²	110	25.6 Å²	25.6	48%	0.482	14%	0.137	S	C	.	.	S	Bend	trans	-65.8	122.4	159.7	-70.8	-73.8	0	0	0	110.2	F36	F36-F162 AromaticContact CD1-CE1 3.86Å; F36-F162 HydrophobicContact CD1-CE1 3.86Å; F36-F162 AromaticContact CD1-CZ 3.52Å; F36-F162 HydrophobicContact CD1-CZ 3.52Å; F36-F162 AromaticContact CE1-CE1 3.4Å; F36-F162 HydrophobicContact CE1-CE1 3.4Å; F36-F162 VanDerWaalsContact CE1-CE1 3.4Å; F36-F162 AromaticContact CE1-CZ 3.56Å; F36-F162 HydrophobicContact CE1-CZ 3.56Å; F36-F162 HydrophobicContact CE2-CE1 4.17Å; F36-F162 HydrophobicContact CG-CE1 4.47Å; F36-F162 HydrophobicContact CG-CZ 4.12Å; F36-F162 AromaticContact CZ-CE1 3.57Å; F36-F162 HydrophobicContact CZ-CE1 3.57Å; F36-F162 HydrophobicContact CZ-CZ 4.12Å
163	G	93.6	Very high	97.4	Very high	23 Å²	23	21.8 Å²	21.8	24%	0.237	12%	0.119	C	C	.	.	S	Bend	trans	88.5	-118.8	178.8	0	0	0	0	0	112.4	P161 S186 T187 D188	P161-G163 PolarHBondContact O-N 3.34Å; G163-S186 CarbonylContact O-C 3.02Å; G163-S186 PolarHBondContact O-OG 3.1Å; G163-T187 VanDerWaalsContact CA-OG1 3.25Å; G163-T187 WeakPolarHBondContact CA-OG1 3.26Å; G163-T187 PolarHBondContact N-OG1 3.45Å; G163-T187 PolarHBondContact O-N 3.33Å; G163-D188 PolarHBondContact O-N 3.46Å
164	T	97.1	Very high	97.5	Very high	23 Å²	23	20.6 Å²	20.6	14%	0.141	12%	0.116	C	C	.	.			trans	-95	141.1	-169.9	-179.7	0	0	0	0	112.1	P161 S166 K203 Y204	P161-T164 VanDerWaalsContact CG-O 3.3Å; P161-T164 WeakPolarHBondContact CG-O 3.41Å; T164-S166 WeakPolarHBondContact OG1-CB 3.3Å; T164-S166 PolarHBondContact OG1-N 2.67Å; T164-K203 HydrophobicContact CG2-CD 4.16Å; T164-Y204 PolarHBondContact OG1-OH 3.41Å
165	A	98	Very high	97.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.			trans	-85.3	-12.2	171	0	0	0	0	0	114.4	I159 P161 P167 F168 L169 V184	I159-A165 HydrophobicContact CG2-CB 4.25Å; P161-A165 HydrophobicContact CG-CB 4.33Å; A165-P167 VanDerWaalsContact C-CD 3.48Å; A165-F168 PolarHBondContact O-N 3.4Å; A165-L169 HydrophobicContact CB-CD2 4.19Å; A165-L169 WeakPolarHBondContact O-CG 3.42Å; A165-V184 HydrophobicContact CB-CG1 3.37Å
166	S	98.3	Very high	97.5	Very high	28 Å²	28	20.4 Å²	20.4	20%	0.196	12%	0.115	C	C	.	.	H	α-helix	trans	-47.9	-47.9	-170.4	161.8	0	0	0	0	114.6	T164 F168 L169 K203	T164-S166 WeakPolarHBondContact OG1-CB 3.3Å; T164-S166 PolarHBondContact OG1-N 2.67Å; S166-F168 PolarHBondContact O-N 2.87Å; S166-F168 VanDerWaalsContact O-N 3.12Å; S166-L169 PolarHBondContact O-N 2.75Å; S166-K203 WeakPolarHBondContact CB-O 3.46Å; S166-K203 PolarHBondContact OG-O 2.69Å
167	P	98.1	Very high	97.4	Very high	78 Å²	78	22.9 Å²	22.9	51%	0.506	13%	0.125	S	C	.	.	H	α-helix	trans	-61.8	-23.4	-177.7	-25.1	36	0	0	0	115	A165	A165-P167 VanDerWaalsContact C-CD 3.48Å
168	F	98.7	Very high	97.2	Very high	30 Å²	30	26.3 Å²	26.3	13%	0.132	14%	0.143	C	C	.	.	H	α-helix	trans	-96.4	-16.1	-172.7	-50.9	-72.6	0	0	0	113	L87 A140 V141 M144 I159 P161 A165 S166 N170 T171 A172	L87-F168 HydrophobicContact CD2-CE1 4.37Å; L87-F168 HydrophobicContact CD2-CE2 4.47Å; L87-F168 HydrophobicContact CD2-CZ 3.98Å; A140-F168 HydrophobicContact CB-CD1 4.16Å; A140-F168 HydrophobicContact CB-CE1 4.05Å; V141-F168 HydrophobicContact CG2-CD1 3.85Å; V141-F168 HydrophobicContact CG2-CE1 4.15Å; M144-F168 HydrophobicContact CE-CB 4.11Å; M144-F168 HydrophobicContact CE-CD1 4.28Å; I159-F168 HydrophobicContact CD1-CB 4.2Å; I159-F168 HydrophobicContact CG2-CB 3.72Å; I159-F168 HydrophobicContact CG2-CD2 4.03Å; I159-F168 HydrophobicContact CG2-CG 4.11Å; P161-F168 HydrophobicContact CB-CD2 4.24Å; P161-F168 HydrophobicContact CB-CE2 3.59Å; P161-F168 HydrophobicContact CB-CZ 4.33Å; P161-F168 HydrophobicContact CG-CD2 3.96Å; P161-F168 HydrophobicContact CG-CE2 3.78Å; A165-F168 PolarHBondContact O-N 3.4Å; S166-F168 PolarHBondContact O-N 2.87Å; S166-F168 VanDerWaalsContact O-N 3.12Å; F168-N170 VanDerWaalsContact C-N 3.33Å; F168-N170 PolarHBondContact O-N 2.65Å; F168-T171 PolarHBondContact O-N 3.49Å; F168-T171 PolarHBondContact O-OG1 2.66Å; F168-A172 WeakPolarHBondContact O-CB 3.22Å; F168-A172 PolarHBondContact O-N 2.94Å
169	L	98.7	Very high	97.1	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.031	14%	0.143	C	C	.	.	H	α-helix	trans	-60.7	-41.7	-171.3	-60.4	-176.8	0	0	0	112.3	A165 S166 V173 V184 Y204 L222 M226 A229	A165-L169 HydrophobicContact CB-CD2 4.19Å; A165-L169 WeakPolarHBondContact O-CG 3.42Å; S166-L169 PolarHBondContact O-N 2.75Å; L169-V173 WeakPolarHBondContact O-CG1 3.35Å; L169-V173 WeakPolarHBondContact O-CG2 3.47Å; L169-V173 PolarHBondContact O-N 2.83Å; L169-V184 HydrophobicContact CD2-CG1 4.15Å; L169-V184 HydrophobicContact CD2-CG2 4.18Å; L169-Y204 HydrophobicContact CD1-CD1 4.38Å; L169-Y204 HydrophobicContact CD1-CE1 4.41Å; L169-L222 HydrophobicContact CD1-CD1 4.31Å; L169-M226 HydrophobicContact CD1-CG 3.94Å; L169-M226 HydrophobicContact CD2-CG 3.94Å; L169-A229 HydrophobicContact CB-CB 4.05Å
170	N	98	Very high	97	Very high	52 Å²	52	26.2 Å²	26.2	28%	0.278	14%	0.143	S	C	.	.	H	α-helix	trans	-67.1	-42.7	-175.6	-166.2	-75.3	0	0	0	113.3	F168 V173 Q174 Q232 H233	F168-N170 VanDerWaalsContact C-N 3.33Å; F168-N170 PolarHBondContact O-N 2.65Å; N170-V173 WeakPolarHBondContact O-CG2 3.4Å; N170-Q174 WeakPolarHBondContact O-CG 3.5Å; N170-Q174 PolarHBondContact O-NE2 2.98Å; N170-Q174 PolarHBondContact OD1-NE2 3.38Å; N170-Q232 PolarHBondContact ND2-OE1 3.39Å; N170-H233 PolarHBondContact OD1-NE2 2.92Å
171	T	98.1	Very high	97.1	Very high	10 Å²	10	24.8 Å²	24.8	6%	0.061	14%	0.135	C	C	.	.	H	α-helix	trans	-78.5	-34.3	178.8	43.2	0	0	0	0	111.7	V141 M144 H145 F168 V173 Q174 C175	V141-T171 HydrophobicContact CG1-CG2 3.62Å; M144-T171 VanDerWaalsContact CE-OG1 3.26Å; M144-T171 WeakPolarHBondContact CE-OG1 3.46Å; H145-T171 HydrophobicContact CB-CG2 4.45Å; F168-T171 PolarHBondContact O-N 3.49Å; F168-T171 PolarHBondContact O-OG1 2.66Å; T171-V173 PolarHBondContact O-N 2.95Å; T171-Q174 WeakPolarHBondContact O-CB 3.13Å; T171-Q174 PolarHBondContact O-N 3.44Å; T171-C175 PolarHBondContact O-N 3.25Å; T171-C175 VanDerWaalsContact O-N 3.16Å
172	A	98.7	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.7	-43.4	175.8	0	0	0	0	0	112.6	M144 V157 I159 F168 Q174 C175 L176 L182	M144-A172 VanDerWaalsContact SD-CA 3.51Å; M144-A172 HydrophobicContact SD-CB 3.75Å; V157-A172 HydrophobicContact CG1-CB 4.22Å; I159-A172 HydrophobicContact CD1-CB 4.09Å; I159-A172 HydrophobicContact CG1-CB 3.99Å; F168-A172 WeakPolarHBondContact O-CB 3.22Å; F168-A172 PolarHBondContact O-N 2.94Å; A172-Q174 PolarHBondContact O-N 2.9Å; A172-C175 PolarHBondContact O-SG 2.88Å; A172-L176 WeakPolarHBondContact O-CD1 3.48Å; A172-L176 WeakPolarHBondContact O-CG 3.21Å; A172-L176 PolarHBondContact O-N 3.04Å; A172-L182 HydrophobicContact CB-CD1 3.76Å; A172-L182 HydrophobicContact CB-CD2 4.36Å
173	V	98.4	Very high	97.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.3	-24.9	176.8	-63.4	0	0	0	0	112.7	L169 N170 T171 L182 A230 K235 V255	L169-V173 WeakPolarHBondContact O-CG1 3.35Å; L169-V173 WeakPolarHBondContact O-CG2 3.47Å; L169-V173 PolarHBondContact O-N 2.83Å; N170-V173 WeakPolarHBondContact O-CG2 3.4Å; T171-V173 PolarHBondContact O-N 2.95Å; V173-L182 HydrophobicContact CG1-CD2 4.07Å; V173-A230 HydrophobicContact CG1-CB 4.16Å; V173-K235 WeakPolarHBondContact O-CD 3.2Å; V173-K235 PolarHBondContact O-NZ 2.97Å; V173-V255 HydrophobicContact CB-CG1 4.34Å; V173-V255 HydrophobicContact CG1-CG1 4.49Å; V173-V255 HydrophobicContact CG1-CG2 4.39Å
174	Q	97.6	Very high	97.9	Very high	30 Å²	30	18.1 Å²	18.1	14%	0.14	10%	0.098	C	C	.	.	H	α-helix	trans	-79.6	-41.4	-179	-72.4	175.6	72.4	0	0	112.9	R153 N170 T171 A172 L176 H233	R153-Q174 PolarHBondContact NE-O 3.42Å; N170-Q174 WeakPolarHBondContact O-CG 3.5Å; N170-Q174 PolarHBondContact O-NE2 2.98Å; N170-Q174 PolarHBondContact OD1-NE2 3.38Å; T171-Q174 WeakPolarHBondContact O-CB 3.13Å; T171-Q174 PolarHBondContact O-N 3.44Å; A172-Q174 PolarHBondContact O-N 2.9Å; Q174-L176 VanDerWaalsContact C-N 3.27Å; Q174-L176 PolarHBondContact O-N 2.9Å; Q174-H233 PolarHBondContact NE2-CE1 3.42Å; Q174-H233 PolarHBondContact NE2-NE2 3.12Å
175	C	98	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-81.3	-2.2	-178.2	70.5	0	0	0	0	114.2	M144 H147 R153 F154 T171 A172	M144-C175 HydrophobicContact CB-CB 4.35Å; M144-C175 WeakPolarHBondContact O-CB 3.31Å; H147-C175 HydrophobicContact CB-CB 4.22Å; R153-C175 CarbonylContact C-O 3.59Å; R153-C175 WeakPolarHBondContact CA-O 3.48Å; R153-C175 VanDerWaalsContact CB-O 3.22Å; R153-C175 WeakPolarHBondContact CB-O 3.45Å; R153-C175 WeakPolarHBondContact CG-O 3.45Å; F154-C175 HydrophobicContact CD2-CB 4.24Å; F154-C175 PolarHBondContact N-O 3.13Å; T171-C175 PolarHBondContact O-N 3.25Å; T171-C175 VanDerWaalsContact O-N 3.16Å; A172-C175 PolarHBondContact O-SG 2.88Å
176	L	98	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.2	171	-79.9	163.7	0	0	0	112.7	V157 A172 Q174 L181 L182 K235 V255	V157-L176 HydrophobicContact CB-CD1 4.45Å; V157-L176 HydrophobicContact CB-CD2 3.99Å; V157-L176 HydrophobicContact CB-CG 4.17Å; V157-L176 HydrophobicContact CG2-CD1 4.5Å; V157-L176 HydrophobicContact CG2-CD2 3.58Å; V157-L176 HydrophobicContact CG2-CG 3.72Å; A172-L176 WeakPolarHBondContact O-CD1 3.48Å; A172-L176 WeakPolarHBondContact O-CG 3.21Å; A172-L176 PolarHBondContact O-N 3.04Å; Q174-L176 VanDerWaalsContact C-N 3.27Å; Q174-L176 PolarHBondContact O-N 2.9Å; L176-L181 WeakPolarHBondContact CD2-O 3.36Å; L176-L182 HydrophobicContact CD1-CB 3.55Å; L176-L182 HydrophobicContact CD1-CD1 4.11Å; L176-L182 HydrophobicContact CD1-CD2 4.37Å; L176-L182 HydrophobicContact CD1-CG 4.19Å; L176-K235 PolarHBondContact O-NZ 3.42Å; L176-V255 HydrophobicContact CD1-CB 4.33Å; L176-V255 HydrophobicContact CD1-CG2 3.83Å
177	R	96.1	Very high	97.8	Very high	51 Å²	51	16.9 Å²	16.9	19%	0.192	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	161	166.5	-72.1	179.9	-175	168	3.5	111	R153 F154 D155 G179 G180	R153-R177 HydrophobicContact CB-CG 3.57Å; R153-R177 PolarHBondContact O-NE 3.2Å; F154-R177 WeakPolarHBondContact O-CG 3.42Å; F154-R177 PolarHBondContact O-N 3.22Å; D155-R177 WeakPolarHBondContact OD1-CD 3.42Å; D155-R177 IonicContact OD1-CZ 3.65Å; D155-R177 IonicContact OD1-NE 3.43Å; D155-R177 IonicContact OD1-NH1 3.45Å; D155-R177 PolarHBondContact OD1-NH1 3.01Å; D155-R177 IonicContact OD2-CZ 2.81Å; D155-R177 IonicContact OD2-NH1 3.88Å; D155-R177 PolarHBondContact OD2-NH1 3.46Å; R177-G179 PolarHBondContact O-N 3.33Å; R177-G180 PolarHBondContact O-N 2.53Å
178	N	95.3	Very high	97.6	Very high	72 Å²	72	14.4 Å²	14.4	39%	0.385	7%	0.072	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	121.6	176.9	179.5	42.7	0	0	0	110.2	S257	N178-S257 PolarHBondContact OD1-N 2.85Å
179	G	96.4	Very high	97.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.4	48.6	-166.3	0	0	0	0	0	109.9	R177 R254 V255	R177-G179 PolarHBondContact O-N 3.33Å; G179-R254 VanDerWaalsContact C-CZ 3.49Å; G179-R254 PolarHBondContact O-NH1 3.29Å; G179-R254 PolarHBondContact O-NH2 3.3Å; G179-V255 WeakPolarHBondContact CA-O 3.35Å; G179-V255 PolarHBondContact N-O 3.46Å
180	G	97.9	Very high	97.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	161.9	165.7	0	0	0	0	0	111	D155 R177 R254 V255	D155-G180 CarbonylContact O-C 3.56Å; D155-G180 VanDerWaalsContact O-CA 3.32Å; D155-G180 WeakPolarHBondContact O-CA 3.29Å; R177-G180 PolarHBondContact O-N 2.53Å; G180-R254 VanDerWaalsContact O-CA 3.31Å; G180-R254 WeakPolarHBondContact O-CA 3.49Å; G180-R254 PolarHBondContact O-NH1 3.04Å; G180-V255 PolarHBondContact O-N 2.87Å
181	L	98.8	Very high	97.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.4	177.8	178.2	67.4	0	0	0	110.8	V51 V52 F55 D155 V156 V157 L176 L240 F252	V51-L181 HydrophobicContact CG1-CD2 4.36Å; V52-L181 HydrophobicContact CG2-CD2 4Å; F55-L181 HydrophobicContact CB-CD2 3.79Å; F55-L181 HydrophobicContact CD1-CB 3.71Å; F55-L181 HydrophobicContact CD1-CD2 3.77Å; F55-L181 HydrophobicContact CD1-CG 4.37Å; F55-L181 HydrophobicContact CD2-CB 4.2Å; F55-L181 HydrophobicContact CE1-CB 3.81Å; F55-L181 HydrophobicContact CE2-CB 4.36Å; F55-L181 HydrophobicContact CG-CB 3.91Å; F55-L181 HydrophobicContact CG-CD2 3.81Å; F55-L181 HydrophobicContact CG-CG 4.36Å; F55-L181 HydrophobicContact CZ-CB 4.15Å; D155-L181 PolarHBondContact O-N 2.87Å; V156-L181 VanDerWaalsContact CA-O 3.31Å; V156-L181 WeakPolarHBondContact CA-O 3.38Å; V156-L181 HydrophobicContact CG1-CB 4.43Å; V156-L181 HydrophobicContact CG1-CD2 4.2Å; V156-L181 HydrophobicContact CG1-CG 4.45Å; V156-L181 HydrophobicContact CG2-CB 4.28Å; V156-L181 HydrophobicContact CG2-CD2 4.47Å; V157-L181 PolarHBondContact N-O 2.89Å; L176-L181 WeakPolarHBondContact CD2-O 3.36Å; L181-L240 HydrophobicContact CD1-CD1 3.86Å; L181-F252 HydrophobicContact CD1-CB 4.25Å
182	L	98.9	Very high	97.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.2	169.6	-176.3	52.9	0	0	0	109.4	V157 I159 A172 V173 L176 V184 M226 F252 V253 V255	V157-L182 HydrophobicContact CB-CD1 4.09Å; V157-L182 HydrophobicContact CG1-CD1 4.07Å; I159-L182 HydrophobicContact CG1-CD1 4.02Å; A172-L182 HydrophobicContact CB-CD1 3.76Å; A172-L182 HydrophobicContact CB-CD2 4.36Å; V173-L182 HydrophobicContact CG1-CD2 4.07Å; L176-L182 HydrophobicContact CD1-CB 3.55Å; L176-L182 HydrophobicContact CD1-CD1 4.11Å; L176-L182 HydrophobicContact CD1-CD2 4.37Å; L176-L182 HydrophobicContact CD1-CG 4.19Å; L182-V184 HydrophobicContact CD1-CG2 4.12Å; L182-V184 HydrophobicContact CD2-CG2 4.1Å; L182-V184 HydrophobicContact CG-CG2 3.73Å; L182-M226 HydrophobicContact CD2-CE 3.88Å; L182-M226 HydrophobicContact CG-CE 4.29Å; L182-F252 WeakPolarHBondContact O-CA 3.24Å; L182-V253 HydrophobicContact CB-CG2 3.84Å; L182-V253 HydrophobicContact CD2-CG2 4.38Å; L182-V253 HydrophobicContact CG-CG2 4.48Å; L182-V253 PolarHBondContact N-O 3.07Å; L182-V253 PolarHBondContact O-N 3.2Å; L182-V255 HydrophobicContact CB-CG2 4.08Å; L182-V255 HydrophobicContact CD2-CG2 4.43Å
183	C	98.9	Very high	97	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.4	175	-41.1	0	0	0	0	109	V157 D158 I159 F252	V157-C183 PolarHBondContact O-N 3.47Å; D158-C183 VanDerWaalsContact OD1-CB 3.32Å; D158-C183 WeakPolarHBondContact OD1-CB 3.39Å; I159-C183 PolarHBondContact N-O 2.87Å; C183-F252 HydrophobicContact CB-CD1 3.81Å; C183-F252 HydrophobicContact CB-CE1 3.88Å
184	V	98.8	Very high	96.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124	-175.2	-176.7	0	0	0	0	110.2	I159 A165 L169 L182 L222 M226 R250 V251	I159-V184 WeakPolarHBondContact O-CA 3.47Å; A165-V184 HydrophobicContact CB-CG1 3.37Å; L169-V184 HydrophobicContact CD2-CG1 4.15Å; L169-V184 HydrophobicContact CD2-CG2 4.18Å; L182-V184 HydrophobicContact CD1-CG2 4.12Å; L182-V184 HydrophobicContact CD2-CG2 4.1Å; L182-V184 HydrophobicContact CG-CG2 3.73Å; V184-L222 HydrophobicContact CG1-CD1 4.5Å; V184-L222 HydrophobicContact CG1-CD2 4.34Å; V184-M226 HydrophobicContact CB-CE 4.41Å; V184-M226 HydrophobicContact CG2-CE 3.63Å; V184-M226 HydrophobicContact CG2-SD 4.2Å; V184-R250 WeakPolarHBondContact O-CA 3.26Å; V184-V251 PolarHBondContact N-O 3.19Å; V184-V251 PolarHBondContact O-N 2.75Å
185	T	98.3	Very high	96.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	140.9	163.7	-46.5	0	0	0	0	110	N44 I159 D160 Y248 I249 R250	N44-T185 PolarHBondContact ND2-OG1 3.47Å; I159-T185 PolarHBondContact O-N 3.21Å; D160-T185 WeakPolarHBondContact OD1-CB 3.46Å; D160-T185 WeakPolarHBondContact OD1-CG2 3.46Å; D160-T185 PolarHBondContact OD1-OG1 3.12Å; T185-Y248 HydrophobicContact CG2-CD2 3.8Å; T185-Y248 HydrophobicContact CG2-CG 4.22Å; T185-I249 CarbonylContact C-O 3.45Å; T185-I249 VanDerWaalsContact CA-O 3.28Å; T185-I249 WeakPolarHBondContact CA-O 3.35Å; T185-R250 PolarHBondContact OG1-NH1 3.13Å
186	S	97.5	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	123.7	166.1	176.7	0	0	0	0	109.9	G163 L192 Y204 Y248 I249	G163-S186 CarbonylContact O-C 3.02Å; G163-S186 PolarHBondContact O-OG 3.1Å; S186-L192 WeakPolarHBondContact OG-CD1 3.48Å; S186-Y204 PolarHBondContact OG-OH 2.75Å; S186-Y248 CarbonylContact O-C 3.57Å; S186-Y248 WeakPolarHBondContact O-CA 3.23Å; S186-I249 PolarHBondContact N-O 3.18Å; S186-I249 PolarHBondContact O-N 3.08Å
187	T	95.1	Very high	96.6	Very high	25 Å²	25	21 Å²	21	15%	0.153	13%	0.128	C	C	.	.			trans	-94.5	-0.9	174.8	77.5	0	0	0	0	112.4	G163 L189	G163-T187 VanDerWaalsContact CA-OG1 3.25Å; G163-T187 WeakPolarHBondContact CA-OG1 3.26Å; G163-T187 PolarHBondContact N-OG1 3.45Å; G163-T187 PolarHBondContact O-N 3.33Å; T187-L189 PolarHBondContact O-N 3.1Å
188	D	94	Very high	96.6	Very high	26 Å²	26	21.6 Å²	21.6	14%	0.139	15%	0.15	C	C	.	.			trans	-79.7	57.8	179.3	-166.5	8.3	0	0	0	112.6	G163 A190 V191 L192 K203	G163-D188 PolarHBondContact O-N 3.46Å; D188-A190 VanDerWaalsContact C-N 3.25Å; D188-A190 PolarHBondContact O-N 3.2Å; D188-V191 VanDerWaalsContact CG-CG2 3.49Å; D188-V191 PolarHBondContact O-N 3.37Å; D188-V191 VanDerWaalsContact OD1-CG2 3.26Å; D188-V191 WeakPolarHBondContact OD1-CG2 3.5Å; D188-V191 PolarHBondContact OD1-N 3.42Å; D188-V191 WeakPolarHBondContact OD2-CB 3.41Å; D188-V191 WeakPolarHBondContact OD2-CG2 3.46Å; D188-L192 PolarHBondContact O-N 3.34Å; D188-L192 VanDerWaalsContact O-N 3.12Å; D188-K203 IonicContact OD2-NZ 2.8Å; D188-K203 PolarHBondContact OD2-NZ 3.46Å
189	L	94.1	Very high	96.8	Very high	27 Å²	27	21 Å²	21	14%	0.141	15%	0.149	C	C	.	.	H	α-helix	trans	-66	-26.5	179.1	-66.1	-171	0	0	0	112.7	T187 V191 L192 C193 F247 I249	T187-L189 PolarHBondContact O-N 3.1Å; L189-V191 VanDerWaalsContact C-N 3.26Å; L189-V191 PolarHBondContact O-N 3.31Å; L189-L192 PolarHBondContact O-N 3.25Å; L189-C193 WeakPolarHBondContact O-CA 3.35Å; L189-C193 WeakPolarHBondContact O-CB 3.48Å; L189-C193 PolarHBondContact O-N 3.12Å; L189-F247 WeakPolarHBondContact CD1-O 3.43Å; L189-F247 WeakPolarHBondContact CG-O 3.19Å; L189-I249 HydrophobicContact CD2-CD1 3.74Å; L189-I249 HydrophobicContact CD2-CG1 3.82Å
190	A	94.6	Very high	96.8	Very high	53 Å²	53	21 Å²	21	44%	0.438	15%	0.149	S	C	.	.	H	α-helix	trans	-58.3	-42.5	176	0	0	0	0	0	111.2	D188 S195	D188-A190 VanDerWaalsContact C-N 3.25Å; D188-A190 PolarHBondContact O-N 3.2Å; A190-S195 WeakPolarHBondContact O-CA 3.48Å; A190-S195 WeakPolarHBondContact O-CB 3.27Å; A190-S195 PolarHBondContact O-N 3Å
191	V	97.1	Very high	96.9	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.036	17%	0.17	C	C	.	.	H	α-helix	trans	-74.3	-53.6	175.9	175.6	0	0	0	0	111.1	D188 L189 C193 G194 T196 T199 S200 K203 Y204	D188-V191 VanDerWaalsContact CG-CG2 3.49Å; D188-V191 PolarHBondContact O-N 3.37Å; D188-V191 VanDerWaalsContact OD1-CG2 3.26Å; D188-V191 WeakPolarHBondContact OD1-CG2 3.5Å; D188-V191 PolarHBondContact OD1-N 3.42Å; D188-V191 WeakPolarHBondContact OD2-CB 3.41Å; D188-V191 WeakPolarHBondContact OD2-CG2 3.46Å; L189-V191 VanDerWaalsContact C-N 3.26Å; L189-V191 PolarHBondContact O-N 3.31Å; V191-C193 VanDerWaalsContact C-N 3.31Å; V191-C193 PolarHBondContact O-N 3.05Å; V191-G194 PolarHBondContact O-N 3.38Å; V191-T196 WeakPolarHBondContact CG2-OG1 3.42Å; V191-T199 HydrophobicContact CG1-CG2 4.1Å; V191-T199 HydrophobicContact CG2-CG2 3.6Å; V191-S200 VanDerWaalsContact CG1-CA 3.47Å; V191-K203 HydrophobicContact CG1-CD 4.32Å; V191-Y204 HydrophobicContact CG1-CD2 4.44Å; V191-Y204 HydrophobicContact CG1-CE2 4.1Å
192	L	97.1	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.2	-31	-174.4	-72.5	171.3	0	0	0	113.5	S186 D188 L189 Y204 A208 G218 I221 L222 I249	S186-L192 WeakPolarHBondContact OG-CD1 3.48Å; D188-L192 PolarHBondContact O-N 3.34Å; D188-L192 VanDerWaalsContact O-N 3.12Å; L189-L192 PolarHBondContact O-N 3.25Å; L192-Y204 HydrophobicContact CD2-CD2 3.66Å; L192-Y204 HydrophobicContact CD2-CE1 4.31Å; L192-Y204 HydrophobicContact CD2-CE2 3.35Å; L192-Y204 HydrophobicContact CD2-CG 4.25Å; L192-Y204 HydrophobicContact CG-CE2 3.88Å; L192-A208 VanDerWaalsContact O-CB 3.26Å; L192-A208 WeakPolarHBondContact O-CB 3.43Å; L192-G218 WeakPolarHBondContact O-CA 3.26Å; L192-I221 HydrophobicContact CD2-CB 4.27Å; L192-I221 HydrophobicContact CD2-CG2 3.77Å; L192-L222 HydrophobicContact CD2-CB 4.17Å; L192-I249 HydrophobicContact CB-CD1 4.31Å; L192-I249 HydrophobicContact CD1-CD1 3.81Å
193	C	95.7	Very high	96.8	Very high	13 Å²	13	31.8 Å²	31.8	9%	0.088	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	22.3	179	-57.9	0	0	0	0	112.7	L189 V191 S195 T214	L189-C193 WeakPolarHBondContact O-CA 3.35Å; L189-C193 WeakPolarHBondContact O-CB 3.48Å; L189-C193 PolarHBondContact O-N 3.12Å; V191-C193 VanDerWaalsContact C-N 3.31Å; V191-C193 PolarHBondContact O-N 3.05Å; C193-S195 PolarHBondContact O-N 3.25Å; C193-T214 WeakPolarHBondContact CA-OG1 3.45Å; C193-T214 HydrophobicContact CB-CG2 3.76Å; C193-T214 WeakPolarHBondContact CB-OG1 3.45Å; C193-T214 PolarHBondContact O-OG1 3.21Å
194	G	94.6	Very high	96.7	Very high	4 Å²	4	32 Å²	32	4%	0.041	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	24.4	164.4	0	0	0	0	0	116.8	V191 A208	V191-G194 PolarHBondContact O-N 3.38Å; G194-A208 VanDerWaalsContact CA-O 3.32Å; G194-A208 WeakPolarHBondContact CA-O 3.38Å
195	S	95.7	Very high	96.7	Very high	64 Å²	64	33.3 Å²	33.3	45%	0.448	23%	0.233	S	C	.	.	S	Bend	trans	-75.9	-26.5	170.1	-58.2	0	0	0	0	112.7	A190 C193	A190-S195 WeakPolarHBondContact O-CA 3.48Å; A190-S195 WeakPolarHBondContact O-CB 3.27Å; A190-S195 PolarHBondContact O-N 3Å; C193-S195 PolarHBondContact O-N 3.25Å
196	T	96.7	Very high	96.7	Very high	57 Å²	57	33.3 Å²	33.3	35%	0.35	23%	0.233	S	C	.	.	S	Bend	trans	-132.9	77.7	176.2	50.6	0	0	0	0	110.5	V191 G198 T199 S200	V191-T196 WeakPolarHBondContact CG2-OG1 3.42Å; T196-G198 VanDerWaalsContact C-N 3.33Å; T196-G198 PolarHBondContact O-N 2.92Å; T196-T199 WeakPolarHBondContact O-CB 3.29Å; T196-T199 PolarHBondContact O-N 3.29Å; T196-S200 PolarHBondContact O-N 3.11Å; T196-S200 VanDerWaalsContact O-N 3.11Å
197	P	96.7	Very high	96.7	Very high	44 Å²	44	36.1 Å²	36.1	29%	0.286	25%	0.247	S	C	.	.	H	α-helix	trans	-54	-42.1	-172.9	-28.2	35.3	0	0	0	114.7	T199 S200 M201 M207 A208 I209	P197-T199 VanDerWaalsContact C-N 3.34Å; P197-T199 PolarHBondContact O-N 3.15Å; P197-S200 WeakPolarHBondContact O-CB 3.39Å; P197-S200 PolarHBondContact O-N 3.41Å; P197-M201 PolarHBondContact O-N 3.37Å; P197-M207 HydrophobicContact CB-CG 3.59Å; P197-M207 HydrophobicContact CB-SD 3.96Å; P197-A208 WeakPolarHBondContact CA-O 3.34Å; P197-A208 WeakPolarHBondContact CB-O 3.4Å; P197-A208 WeakPolarHBondContact CG-O 3.43Å; P197-I209 HydrophobicContact CB-CG2 4.43Å; P197-I209 HydrophobicContact CG-CG2 4.31Å
198	G	96.9	Very high	96.8	Very high	62 Å²	62	34.9 Å²	34.9	64%	0.639	24%	0.24	S	C	*	.	H	α-helix	trans	-63.2	-37.6	177.2	0	0	0	0	0	113.2	T196 S200 M201 G202	T196-G198 VanDerWaalsContact C-N 3.33Å; T196-G198 PolarHBondContact O-N 2.92Å; G198-S200 VanDerWaalsContact C-N 3.35Å; G198-M201 PolarHBondContact O-N 3.25Å; G198-G202 PolarHBondContact O-N 2.8Å
199	T	98.2	Very high	96.9	Very high	60 Å²	60	34.8 Å²	34.8	37%	0.368	24%	0.239	S	C	.	.	H	α-helix	trans	-66.9	-37.4	174.7	-49.9	0	0	0	0	111.7	V191 T196 P197 M201 G202 K203	V191-T199 HydrophobicContact CG1-CG2 4.1Å; V191-T199 HydrophobicContact CG2-CG2 3.6Å; T196-T199 WeakPolarHBondContact O-CB 3.29Å; T196-T199 PolarHBondContact O-N 3.29Å; P197-T199 VanDerWaalsContact C-N 3.34Å; P197-T199 PolarHBondContact O-N 3.15Å; T199-M201 VanDerWaalsContact C-N 3.35Å; T199-G202 PolarHBondContact O-N 2.79Å; T199-K203 HydrophobicContact CG2-CD 4.13Å; T199-K203 HydrophobicContact CG2-CG 4.32Å; T199-K203 WeakPolarHBondContact O-CB 3.43Å; T199-K203 WeakPolarHBondContact O-CG 3.23Å; T199-K203 PolarHBondContact O-N 2.88Å
200	S	98.2	Very high	96.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-46.6	174.5	-177.1	0	0	0	0	111.1	V191 T196 P197 G198 G202 K203 Y204 G206 A208	V191-S200 VanDerWaalsContact CG1-CA 3.47Å; T196-S200 PolarHBondContact O-N 3.11Å; T196-S200 VanDerWaalsContact O-N 3.11Å; P197-S200 WeakPolarHBondContact O-CB 3.39Å; P197-S200 PolarHBondContact O-N 3.41Å; G198-S200 VanDerWaalsContact C-N 3.35Å; S200-G202 PolarHBondContact O-N 2.83Å; S200-K203 PolarHBondContact O-N 3.42Å; S200-Y204 PolarHBondContact O-N 3.43Å; S200-G206 CarbonylContact C-O 3.23Å; S200-G206 WeakPolarHBondContact CB-O 2.88Å; S200-G206 VanDerWaalsContact O-O 3.11Å; S200-G206 PolarHBondContact OG-O 3.13Å; S200-A208 PolarHBondContact OG-N 2.88Å
201	M	98.1	Very high	96.7	Very high	89 Å²	89	39.5 Å²	39.5	44%	0.438	25%	0.25	S	S	.	.	H	α-helix	trans	-58.8	-48.6	177.5	-176.6	61.3	98.5	0	0	111.5	P197 G198 T199 K203 G205 G206 M207	P197-M201 PolarHBondContact O-N 3.37Å; G198-M201 PolarHBondContact O-N 3.25Å; T199-M201 VanDerWaalsContact C-N 3.35Å; M201-K203 PolarHBondContact O-N 2.95Å; M201-G205 VanDerWaalsContact O-CA 3.31Å; M201-G205 WeakPolarHBondContact O-CA 3.16Å; M201-G205 PolarHBondContact O-N 3.24Å; M201-G206 WeakPolarHBondContact CA-O 3.25Å; M201-G206 PolarHBondContact N-O 2.84Å; M201-G206 VanDerWaalsContact N-O 3.15Å; M201-M207 HydrophobicContact CE-CB 4.2Å
202	G	98	Very high	96.4	Very high	71 Å²	71	39.9 Å²	39.9	73%	0.732	26%	0.255	S	S	*	.	H	α-helix	trans	-64.9	-34.6	-180	0	0	0	0	0	114.3	G198 T199 S200	G198-G202 PolarHBondContact O-N 2.8Å; T199-G202 PolarHBondContact O-N 2.79Å; S200-G202 PolarHBondContact O-N 2.83Å
203	K	98.1	Very high	96.3	Very high	66 Å²	66	40.1 Å²	40.1	29%	0.287	26%	0.257	S	S	.	.	H	α-helix	trans	-85.1	-36.6	-177.1	-72.2	-170.4	-174.2	-178.6	0	114.3	T164 S166 D188 V191 T199 S200 M201	T164-K203 HydrophobicContact CG2-CD 4.16Å; S166-K203 WeakPolarHBondContact CB-O 3.46Å; S166-K203 PolarHBondContact OG-O 2.69Å; D188-K203 IonicContact OD2-NZ 2.8Å; D188-K203 PolarHBondContact OD2-NZ 3.46Å; V191-K203 HydrophobicContact CG1-CD 4.32Å; T199-K203 HydrophobicContact CG2-CD 4.13Å; T199-K203 HydrophobicContact CG2-CG 4.32Å; T199-K203 WeakPolarHBondContact O-CB 3.43Å; T199-K203 WeakPolarHBondContact O-CG 3.23Å; T199-K203 PolarHBondContact O-N 2.88Å; S200-K203 PolarHBondContact O-N 3.42Å; M201-K203 PolarHBondContact O-N 2.95Å
204	Y	98.4	Very high	96.3	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-126.8	3.8	-168	-57.8	-73.9	0	0	0	113.8	T164 L169 S186 V191 L192 S200 G206 I221 L222 N224 G225	T164-Y204 PolarHBondContact OG1-OH 3.41Å; L169-Y204 HydrophobicContact CD1-CD1 4.38Å; L169-Y204 HydrophobicContact CD1-CE1 4.41Å; S186-Y204 PolarHBondContact OG-OH 2.75Å; V191-Y204 HydrophobicContact CG1-CD2 4.44Å; V191-Y204 HydrophobicContact CG1-CE2 4.1Å; L192-Y204 HydrophobicContact CD2-CD2 3.66Å; L192-Y204 HydrophobicContact CD2-CE1 4.31Å; L192-Y204 HydrophobicContact CD2-CE2 3.35Å; L192-Y204 HydrophobicContact CD2-CG 4.25Å; L192-Y204 HydrophobicContact CG-CE2 3.88Å; S200-Y204 PolarHBondContact O-N 3.43Å; Y204-G206 PolarHBondContact O-N 3.44Å; Y204-I221 HydrophobicContact CD2-CG2 4Å; Y204-I221 HydrophobicContact CG-CG2 4.01Å; Y204-L222 HydrophobicContact CD1-CD1 4.1Å; Y204-L222 HydrophobicContact CE1-CD1 3.6Å; Y204-N224 PolarHBondContact O-ND2 2.74Å; Y204-G225 WeakPolarHBondContact O-CA 3.43Å; Y204-G225 PolarHBondContact O-N 3.44Å
205	G	97.9	Very high	96.3	Very high	29 Å²	29	43.1 Å²	43.1	30%	0.299	27%	0.27	S	S	.	.	S	Bend	trans	66.1	23.3	-178.2	0	0	0	0	0	113.5	M201 N224 P320	M201-G205 VanDerWaalsContact O-CA 3.31Å; M201-G205 WeakPolarHBondContact O-CA 3.16Å; M201-G205 PolarHBondContact O-N 3.24Å; G205-N224 PolarHBondContact O-ND2 3.03Å; G205-P320 WeakPolarHBondContact O-CD 3.22Å; G205-P320 WeakPolarHBondContact O-CG 3.46Å
206	G	97.9	Very high	96.4	Very high	0 Å²	0	40 Å²	40	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-151.9	137.6	179.8	0	0	0	0	0	111.6	S200 M201 Y204	S200-G206 CarbonylContact C-O 3.23Å; S200-G206 WeakPolarHBondContact CB-O 2.88Å; S200-G206 VanDerWaalsContact O-O 3.11Å; S200-G206 PolarHBondContact OG-O 3.13Å; M201-G206 WeakPolarHBondContact CA-O 3.25Å; M201-G206 PolarHBondContact N-O 2.84Å; M201-G206 VanDerWaalsContact N-O 3.15Å; Y204-G206 PolarHBondContact O-N 3.44Å
207	M	97.6	Very high	96.4	Very high	58 Å²	58	37.3 Å²	37.3	29%	0.286	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-88.3	112.7	178.4	-172.5	174.3	66.4	0	0	110.5	P197 M201 I209 V317 F318 G319	P197-M207 HydrophobicContact CB-CG 3.59Å; P197-M207 HydrophobicContact CB-SD 3.96Å; M201-M207 HydrophobicContact CE-CB 4.2Å; M207-I209 HydrophobicContact CE-CG2 4.31Å; M207-I209 HydrophobicContact CG-CG2 4.35Å; M207-V317 WeakPolarHBondContact CE-O 3.41Å; M207-F318 HydrophobicContact CE-CB 4.36Å; M207-F318 WeakPolarHBondContact O-CB 3.49Å; M207-G319 PolarHBondContact N-O 3.43Å; M207-G319 PolarHBondContact O-N 3.05Å
208	A	97.5	Very high	96.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.219	C	C	.	.			trans	-84.1	140.3	166.5	0	0	0	0	0	110.4	L192 G194 P197 S200 V217 I221	L192-A208 VanDerWaalsContact O-CB 3.26Å; L192-A208 WeakPolarHBondContact O-CB 3.43Å; G194-A208 VanDerWaalsContact CA-O 3.32Å; G194-A208 WeakPolarHBondContact CA-O 3.38Å; P197-A208 WeakPolarHBondContact CA-O 3.34Å; P197-A208 WeakPolarHBondContact CB-O 3.4Å; P197-A208 WeakPolarHBondContact CG-O 3.43Å; S200-A208 PolarHBondContact OG-N 2.88Å; A208-V217 HydrophobicContact CB-CG1 4.16Å; A208-I221 HydrophobicContact CB-CD1 4.48Å; A208-I221 HydrophobicContact CB-CG1 4.16Å
209	I	96.1	Very high	96.5	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.118	19%	0.188	C	C	.	.			trans	-127.6	160.7	170.2	67.2	172.6	0	0	0	109.8	P197 M207 T211 I274 H316 F318	P197-I209 HydrophobicContact CB-CG2 4.43Å; P197-I209 HydrophobicContact CG-CG2 4.31Å; M207-I209 HydrophobicContact CE-CG2 4.31Å; M207-I209 HydrophobicContact CG-CG2 4.35Å; I209-T211 HydrophobicContact CD1-CG2 4.27Å; I209-T211 HydrophobicContact CG1-CG2 3.74Å; I209-T211 PolarHBondContact O-N 3.48Å; I209-T211 VanDerWaalsContact O-N 3.16Å; I209-I274 HydrophobicContact CD1-CG2 3.91Å; I209-H316 HydrophobicContact CD1-CB 3.81Å; I209-F318 HydrophobicContact CB-CB 4.42Å; I209-F318 HydrophobicContact CD1-CB 3.89Å; I209-F318 HydrophobicContact CD1-CD1 3.73Å; I209-F318 HydrophobicContact CD1-CG 4.05Å; I209-F318 HydrophobicContact CG1-CB 3.76Å; I209-F318 HydrophobicContact CG1-CD1 3.88Å; I209-F318 HydrophobicContact CG1-CG 3.82Å; I209-F318 HydrophobicContact CG2-CB 3.96Å
210	K	93.3	Very high	96.5	Very high	156 Å²	156	29.6 Å²	29.6	68%	0.678	17%	0.171	S	C	*	.			trans	-65.5	115.4	174.1	-67.5	-175.7	-179.8	177.6	0	110.1
211	T	92.2	Very high	96.6	Very high	23 Å²	23	29.6 Å²	29.6	14%	0.141	17%	0.171	C	C	.	.			trans	-130.8	174.5	175	68.1	0	0	0	0	110.1	I209 S213 T214 I274 F318	I209-T211 HydrophobicContact CD1-CG2 4.27Å; I209-T211 HydrophobicContact CG1-CG2 3.74Å; I209-T211 PolarHBondContact O-N 3.48Å; I209-T211 VanDerWaalsContact O-N 3.16Å; T211-S213 PolarHBondContact O-N 3.16Å; T211-S213 PolarHBondContact OG1-N 3.29Å; T211-T214 PolarHBondContact OG1-N 3.44Å; T211-I274 HydrophobicContact CG2-CD1 3.72Å; T211-I274 HydrophobicContact CG2-CG2 4.35Å; T211-F318 HydrophobicContact CG2-CE1 4.19Å; T211-F318 HydrophobicContact CG2-CZ 4.38Å
212	G	90.5	Very high	96.6	Very high	14 Å²	14	25.4 Å²	25.4	14%	0.144	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.4	168.3	0	0	0	0	0	113.1	T214 I413 Q416	G212-T214 PolarHBondContact O-N 3.42Å; G212-I413 WeakPolarHBondContact O-CG1 3.16Å; G212-Q416 VanDerWaalsContact CA-OE1 3.32Å
213	S	95	Very high	96.6	Very high	5 Å²	5	22 Å²	22	4%	0.035	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	29.7	-179.4	-83.5	0	0	0	0	113.9	T211 H215 E216 V217 Y411	T211-S213 PolarHBondContact O-N 3.16Å; T211-S213 PolarHBondContact OG1-N 3.29Å; S213-H215 VanDerWaalsContact C-N 3.26Å; S213-H215 PolarHBondContact O-N 3.07Å; S213-H215 VanDerWaalsContact O-N 3.11Å; S213-E216 PolarHBondContact O-N 3.48Å; S213-E216 VanDerWaalsContact O-N 3.09Å; S213-V217 WeakPolarHBondContact O-CG2 3.37Å; S213-V217 PolarHBondContact O-N 3.11Å; S213-Y411 WeakPolarHBondContact OG-CD1 3.43Å; S213-Y411 WeakPolarHBondContact OG-CD2 3.4Å; S213-Y411 VanDerWaalsContact OG-CG 3.31Å; S213-Y411 PolarHBondContact OG-N 3.26Å; S213-Y411 PolarHBondContact OG-O 2.7Å
214	T	94.8	Very high	96.7	Very high	25 Å²	25	18.9 Å²	18.9	15%	0.153	10%	0.102	C	C	.	.	H	α-helix	trans	-58.2	-35.7	-165.6	-146.5	0	0	0	0	114.2	C193 T211 G212 V217 G218	C193-T214 WeakPolarHBondContact CA-OG1 3.45Å; C193-T214 HydrophobicContact CB-CG2 3.76Å; C193-T214 WeakPolarHBondContact CB-OG1 3.45Å; C193-T214 PolarHBondContact O-OG1 3.21Å; T211-T214 PolarHBondContact OG1-N 3.44Å; G212-T214 PolarHBondContact O-N 3.42Å; T214-V217 PolarHBondContact O-N 2.82Å; T214-G218 PolarHBondContact O-N 3.21Å
215	H	94.8	Very high	96.7	Very high	55 Å²	55	19 Å²	19	26%	0.255	11%	0.105	S	C	.	.	H	α-helix	trans	-68.3	-42.9	179.2	-67.2	-72.9	0	0	0	111.8	S213 G218 L219 S244 A447	S213-H215 VanDerWaalsContact C-N 3.26Å; S213-H215 PolarHBondContact O-N 3.07Å; S213-H215 VanDerWaalsContact O-N 3.11Å; H215-G218 PolarHBondContact O-N 3.27Å; H215-L219 PolarHBondContact O-N 3.39Å; H215-L219 VanDerWaalsContact O-N 3.1Å; H215-S244 PolarHBondContact ND1-OG 2.97Å; H215-A447 HydrophobicContact CB-CB 4.01Å
216	E	96.8	Very high	96.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-71.3	-36.9	174.3	178.1	167.5	162.2	0	0	112.6	S213 G218 L219 R220 L326 L410 Y411 S445 A447 K453	S213-E216 PolarHBondContact O-N 3.48Å; S213-E216 VanDerWaalsContact O-N 3.09Å; E216-G218 PolarHBondContact O-N 3.33Å; E216-L219 WeakPolarHBondContact O-CB 3.46Å; E216-L219 PolarHBondContact O-N 2.91Å; E216-R220 HydrophobicContact CG-CG 4.31Å; E216-R220 WeakPolarHBondContact O-CG 3.23Å; E216-R220 PolarHBondContact O-N 3.47Å; E216-R220 IonicContact OE1-CZ 2.63Å; E216-R220 VanDerWaalsContact OE1-CZ 3.23Å; E216-R220 IonicContact OE1-NE 2.65Å; E216-R220 PolarHBondContact OE1-NE 2.87Å; E216-R220 IonicContact OE1-NH2 3.79Å; E216-R220 PolarHBondContact OE1-NH2 3.16Å; E216-L326 HydrophobicContact CG-CD1 3.93Å; E216-L410 HydrophobicContact CG-CD2 4.19Å; E216-L410 WeakPolarHBondContact OE1-CA 3.44Å; E216-L410 PolarHBondContact OE1-N 3.45Å; E216-Y411 HydrophobicContact CB-CD1 4.22Å; E216-Y411 HydrophobicContact CB-CE1 3.63Å; E216-Y411 WeakPolarHBondContact OE2-CD1 3.41Å; E216-S445 PolarHBondContact OE2-OG 3.44Å; E216-A447 HydrophobicContact CB-CB 4.42Å; E216-K453 IonicContact OE1-NZ 3.36Å; E216-K453 PolarHBondContact OE1-NZ 3.45Å; E216-K453 WeakPolarHBondContact OE2-CE 3.48Å; E216-K453 IonicContact OE2-NZ 2.81Å; E216-K453 PolarHBondContact OE2-NZ 3.09Å
217	V	97.8	Very high	96.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.5	-43.3	170.4	171.4	0	0	0	0	109.9	A208 S213 T214 L219 R220 I221 F318 L410	A208-V217 HydrophobicContact CB-CG1 4.16Å; S213-V217 WeakPolarHBondContact O-CG2 3.37Å; S213-V217 PolarHBondContact O-N 3.11Å; T214-V217 PolarHBondContact O-N 2.82Å; V217-L219 PolarHBondContact O-N 2.9Å; V217-R220 PolarHBondContact O-N 2.95Å; V217-I221 HydrophobicContact CG1-CG1 4.08Å; V217-I221 WeakPolarHBondContact O-CB 3.44Å; V217-I221 WeakPolarHBondContact O-CG1 3.18Å; V217-I221 PolarHBondContact O-N 3.08Å; V217-F318 HydrophobicContact CG1-CD2 4.27Å; V217-F318 HydrophobicContact CG1-CE2 3.89Å; V217-F318 HydrophobicContact CG2-CE2 3.81Å; V217-F318 HydrophobicContact CG2-CZ 4.07Å; V217-L410 HydrophobicContact CG2-CD2 3.76Å
218	G	97.8	Very high	96.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.9	-43.4	175.4	0	0	0	0	0	113.7	L192 T214 H215 E216 I221 L222	L192-G218 WeakPolarHBondContact O-CA 3.26Å; T214-G218 PolarHBondContact O-N 3.21Å; H215-G218 PolarHBondContact O-N 3.27Å; E216-G218 PolarHBondContact O-N 3.33Å; G218-I221 PolarHBondContact O-N 2.97Å; G218-L222 PolarHBondContact O-N 2.84Å
219	L	98.5	Very high	96.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.3	-46.9	173.6	-68.5	168.2	0	0	0	111.5	H215 E216 V217 I221 L222 L223 S242 I249 V251 L326 H446	H215-L219 PolarHBondContact O-N 3.39Å; H215-L219 VanDerWaalsContact O-N 3.1Å; E216-L219 WeakPolarHBondContact O-CB 3.46Å; E216-L219 PolarHBondContact O-N 2.91Å; V217-L219 PolarHBondContact O-N 2.9Å; L219-I221 PolarHBondContact O-N 3.32Å; L219-L222 PolarHBondContact O-N 2.85Å; L219-L223 WeakPolarHBondContact O-CG 3.47Å; L219-L223 PolarHBondContact O-N 3.41Å; L219-S242 WeakPolarHBondContact CD1-O 3.4Å; L219-I249 HydrophobicContact CD2-CB 4.26Å; L219-I249 HydrophobicContact CD2-CD1 4.3Å; L219-I249 HydrophobicContact CD2-CG1 3.89Å; L219-I249 HydrophobicContact CD2-CG2 3.48Å; L219-I249 VanDerWaalsContact CD2-CG2 3.48Å; L219-I249 HydrophobicContact CG-CD1 4.43Å; L219-I249 HydrophobicContact CG-CG1 4.4Å; L219-V251 HydrophobicContact CD2-CG2 4.15Å; L219-L326 HydrophobicContact CB-CD2 4.22Å; L219-L326 HydrophobicContact CD1-CD1 4.49Å; L219-H446 WeakPolarHBondContact CD1-NE2 3.32Å
220	R	98.5	Very high	96.9	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.015	9%	0.092	C	C	.	.	H	α-helix	trans	-70.2	-32	-177.5	-66.3	178.6	176.8	-73.6	-6.5	113.1	E216 V217 N224 I321 W322 G324 L326	E216-R220 HydrophobicContact CG-CG 4.31Å; E216-R220 WeakPolarHBondContact O-CG 3.23Å; E216-R220 PolarHBondContact O-N 3.47Å; E216-R220 IonicContact OE1-CZ 2.63Å; E216-R220 VanDerWaalsContact OE1-CZ 3.23Å; E216-R220 IonicContact OE1-NE 2.65Å; E216-R220 PolarHBondContact OE1-NE 2.87Å; E216-R220 IonicContact OE1-NH2 3.79Å; E216-R220 PolarHBondContact OE1-NH2 3.16Å; V217-R220 PolarHBondContact O-N 2.95Å; R220-N224 VanDerWaalsContact O-CB 3.3Å; R220-N224 WeakPolarHBondContact O-CB 3.48Å; R220-N224 PolarHBondContact O-N 2.97Å; R220-I321 HydrophobicContact CB-CB 3.94Å; R220-I321 HydrophobicContact CB-CD1 4.34Å; R220-I321 HydrophobicContact CB-CG1 4.47Å; R220-W322 HydrophobicContact CB-CB 4.31Å; R220-W322 WeakPolarHBondContact CB-O 3.33Å; R220-W322 VanDerWaalsContact CD-O 3.27Å; R220-W322 WeakPolarHBondContact CD-O 3.5Å; R220-W322 VanDerWaalsContact CG-O 3.26Å; R220-W322 WeakPolarHBondContact CG-O 3.37Å; R220-W322 PolarHBondContact NH1-O 2.86Å; R220-W322 VanDerWaalsContact O-CB 3.29Å; R220-W322 WeakPolarHBondContact O-CB 3.4Å; R220-W322 PolarHBondContact O-N 3.07Å; R220-W322 VanDerWaalsContact O-N 3.08Å; R220-G324 PolarHBondContact NH1-O 2.9Å; R220-L326 HydrophobicContact CG-CD2 3.78Å
221	I	98.6	Very high	97.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-69.3	-42.6	173.4	-70.8	-78.9	0	0	0	110.6	L192 Y204 A208 V217 G218 L219 N224 G225 I321	L192-I221 HydrophobicContact CD2-CB 4.27Å; L192-I221 HydrophobicContact CD2-CG2 3.77Å; Y204-I221 HydrophobicContact CD2-CG2 4Å; Y204-I221 HydrophobicContact CG-CG2 4.01Å; A208-I221 HydrophobicContact CB-CD1 4.48Å; A208-I221 HydrophobicContact CB-CG1 4.16Å; V217-I221 HydrophobicContact CG1-CG1 4.08Å; V217-I221 WeakPolarHBondContact O-CB 3.44Å; V217-I221 WeakPolarHBondContact O-CG1 3.18Å; V217-I221 PolarHBondContact O-N 3.08Å; G218-I221 PolarHBondContact O-N 2.97Å; L219-I221 PolarHBondContact O-N 3.32Å; I221-N224 WeakPolarHBondContact O-CB 3.5Å; I221-N224 PolarHBondContact O-N 3.29Å; I221-G225 PolarHBondContact O-N 3.43Å; I221-I321 HydrophobicContact CD1-CG2 3.69Å; I221-I321 HydrophobicContact CG1-CG2 4.04Å
222	L	98.7	Very high	97.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.4	-47.3	175.3	179.6	59.3	0	0	0	110.9	L169 V184 L192 Y204 G218 L219 N224 G225 M226 I249 V251	L169-L222 HydrophobicContact CD1-CD1 4.31Å; V184-L222 HydrophobicContact CG1-CD1 4.5Å; V184-L222 HydrophobicContact CG1-CD2 4.34Å; L192-L222 HydrophobicContact CD2-CB 4.17Å; Y204-L222 HydrophobicContact CD1-CD1 4.1Å; Y204-L222 HydrophobicContact CE1-CD1 3.6Å; G218-L222 PolarHBondContact O-N 2.84Å; L219-L222 PolarHBondContact O-N 2.85Å; L222-N224 VanDerWaalsContact C-N 3.31Å; L222-N224 PolarHBondContact O-N 3.35Å; L222-G225 PolarHBondContact O-N 3.39Å; L222-G225 VanDerWaalsContact O-N 3.16Å; L222-M226 HydrophobicContact CD1-CG 4.34Å; L222-M226 HydrophobicContact CD1-SD 4.36Å; L222-M226 HydrophobicContact CG-CG 4.46Å; L222-M226 HydrophobicContact CG-SD 3.97Å; L222-M226 VanDerWaalsContact O-CG 3.28Å; L222-M226 WeakPolarHBondContact O-CG 3.42Å; L222-M226 PolarHBondContact O-N 2.81Å; L222-I249 HydrophobicContact CD2-CG2 3.53Å; L222-V251 HydrophobicContact CD2-CB 4.44Å; L222-V251 HydrophobicContact CD2-CG2 3.86Å
223	L	98.8	Very high	97.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.4	-38.5	175.7	-73.1	173.7	0	0	0	112.6	L219 M226 Q227 I237 P239 V251 V253 W322 L326	L219-L223 WeakPolarHBondContact O-CG 3.47Å; L219-L223 PolarHBondContact O-N 3.41Å; L223-M226 HydrophobicContact CD2-SD 4.38Å; L223-M226 PolarHBondContact O-N 3.31Å; L223-Q227 WeakPolarHBondContact O-CB 3.48Å; L223-Q227 PolarHBondContact O-N 2.83Å; L223-I237 HydrophobicContact CB-CD1 4.45Å; L223-I237 HydrophobicContact CD2-CD1 3.95Å; L223-I237 WeakPolarHBondContact O-CD1 3.17Å; L223-P239 HydrophobicContact CD1-CB 4.48Å; L223-P239 HydrophobicContact CD1-CG 4.18Å; L223-P239 HydrophobicContact CD2-CB 4.23Å; L223-P239 HydrophobicContact CD2-CG 3.81Å; L223-V251 HydrophobicContact CD2-CG1 3.64Å; L223-V253 HydrophobicContact CD2-CG1 3.88Å; L223-W322 HydrophobicContact CB-CB 3.68Å; L223-W322 HydrophobicContact CB-CD2 4.27Å; L223-W322 HydrophobicContact CB-CG 3.77Å; L223-W322 HydrophobicContact CD1-CG 4.15Å; L223-L326 HydrophobicContact CD1-CD2 3.64Å
224	N	98.6	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.2	-52.2	172	179	85.1	0	0	0	110.8	Y204 G205 R220 I221 L222 M226 Q227 L228 H269	Y204-N224 PolarHBondContact O-ND2 2.74Å; G205-N224 PolarHBondContact O-ND2 3.03Å; R220-N224 VanDerWaalsContact O-CB 3.3Å; R220-N224 WeakPolarHBondContact O-CB 3.48Å; R220-N224 PolarHBondContact O-N 2.97Å; I221-N224 WeakPolarHBondContact O-CB 3.5Å; I221-N224 PolarHBondContact O-N 3.29Å; L222-N224 VanDerWaalsContact C-N 3.31Å; L222-N224 PolarHBondContact O-N 3.35Å; N224-M226 VanDerWaalsContact C-N 3.33Å; N224-M226 PolarHBondContact O-N 2.89Å; N224-Q227 PolarHBondContact O-N 3.46Å; N224-L228 WeakPolarHBondContact ND2-CD1 3.13Å; N224-L228 VanDerWaalsContact O-CG 3.3Å; N224-L228 WeakPolarHBondContact O-CG 3.48Å; N224-L228 PolarHBondContact O-N 2.98Å; N224-H269 PolarHBondContact OD1-CE1 2.94Å; N224-H269 VanDerWaalsContact OD1-CE1 3.26Å; N224-H269 PolarHBondContact OD1-ND1 2.68Å
225	G	98.5	Very high	98	Very high	7 Å²	7	19.4 Å²	19.4	7%	0.072	10%	0.103	C	C	.	.	H	α-helix	trans	-61	-39.7	178	0	0	0	0	0	113.3	Y204 I221 L222 L228 A229	Y204-G225 WeakPolarHBondContact O-CA 3.43Å; Y204-G225 PolarHBondContact O-N 3.44Å; I221-G225 PolarHBondContact O-N 3.43Å; L222-G225 PolarHBondContact O-N 3.39Å; L222-G225 VanDerWaalsContact O-N 3.16Å; G225-L228 PolarHBondContact O-N 2.58Å; G225-A229 WeakPolarHBondContact O-CB 3.45Å; G225-A229 PolarHBondContact O-N 3.36Å
226	M	98.8	Very high	98.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.3	-44.4	175.5	-69	173.4	72.8	0	0	112	L169 L182 V184 L222 L223 N224 A229 A230 I237 V251 V253	L169-M226 HydrophobicContact CD1-CG 3.94Å; L169-M226 HydrophobicContact CD2-CG 3.94Å; L182-M226 HydrophobicContact CD2-CE 3.88Å; L182-M226 HydrophobicContact CG-CE 4.29Å; V184-M226 HydrophobicContact CB-CE 4.41Å; V184-M226 HydrophobicContact CG2-CE 3.63Å; V184-M226 HydrophobicContact CG2-SD 4.2Å; L222-M226 HydrophobicContact CD1-CG 4.34Å; L222-M226 HydrophobicContact CD1-SD 4.36Å; L222-M226 HydrophobicContact CG-CG 4.46Å; L222-M226 HydrophobicContact CG-SD 3.97Å; L222-M226 VanDerWaalsContact O-CG 3.28Å; L222-M226 WeakPolarHBondContact O-CG 3.42Å; L222-M226 PolarHBondContact O-N 2.81Å; L223-M226 HydrophobicContact CD2-SD 4.38Å; L223-M226 PolarHBondContact O-N 3.31Å; N224-M226 VanDerWaalsContact C-N 3.33Å; N224-M226 PolarHBondContact O-N 2.89Å; M226-A229 PolarHBondContact O-N 2.83Å; M226-A230 WeakPolarHBondContact O-CB 3.32Å; M226-A230 PolarHBondContact O-N 2.83Å; M226-I237 HydrophobicContact CB-CD1 3.99Å; M226-V251 HydrophobicContact CE-CG1 4.26Å; M226-V251 HydrophobicContact SD-CB 4.5Å; M226-V251 HydrophobicContact SD-CG1 4.05Å; M226-V253 HydrophobicContact CE-CB 4.26Å; M226-V253 HydrophobicContact CE-CG1 3.7Å; M226-V253 HydrophobicContact CE-CG2 3.44Å; M226-V253 VanDerWaalsContact CE-CG2 3.44Å
227	Q	98.6	Very high	98.2	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-65.2	-43.3	176.4	179.7	56.9	76.8	0	0	110.8	L223 N224 A229 A230 S231 K235 I237 I265 H269 W322	L223-Q227 WeakPolarHBondContact O-CB 3.48Å; L223-Q227 PolarHBondContact O-N 2.83Å; N224-Q227 PolarHBondContact O-N 3.46Å; Q227-A229 VanDerWaalsContact C-N 3.33Å; Q227-A229 PolarHBondContact O-N 2.91Å; Q227-A230 PolarHBondContact O-N 2.99Å; Q227-S231 PolarHBondContact NE2-OG 2.92Å; Q227-S231 WeakPolarHBondContact O-CB 3.37Å; Q227-S231 PolarHBondContact O-N 2.91Å; Q227-S231 PolarHBondContact O-OG 3.13Å; Q227-K235 PolarHBondContact NE2-O 2.77Å; Q227-I237 HydrophobicContact CB-CD1 3.87Å; Q227-I237 HydrophobicContact CB-CG1 3.98Å; Q227-I265 HydrophobicContact CG-CB 4.5Å; Q227-I265 HydrophobicContact CG-CD1 4.49Å; Q227-I265 HydrophobicContact CG-CG2 4.43Å; Q227-H269 WeakPolarHBondContact CG-NE2 3.44Å; Q227-W322 HydrophobicContact CB-CE3 4.24Å; Q227-W322 HydrophobicContact CB-CZ3 4.04Å; Q227-W322 HydrophobicContact CG-CE3 4.46Å; Q227-W322 HydrophobicContact CG-CZ3 3.94Å
228	L	98.1	Very high	98.2	Very high	69 Å²	69	21.1 Å²	21.1	36%	0.361	11%	0.113	S	C	.	.	H	α-helix	trans	-60.2	-43.5	177.1	-69.9	177.3	0	0	0	111.8	N224 G225 S231 Q232	N224-L228 WeakPolarHBondContact ND2-CD1 3.13Å; N224-L228 VanDerWaalsContact O-CG 3.3Å; N224-L228 WeakPolarHBondContact O-CG 3.48Å; N224-L228 PolarHBondContact O-N 2.98Å; G225-L228 PolarHBondContact O-N 2.58Å; L228-S231 PolarHBondContact O-N 3.43Å; L228-Q232 PolarHBondContact O-N 3.43Å
229	A	98.4	Very high	98.2	Very high	10 Å²	10	21.7 Å²	21.7	8%	0.083	12%	0.116	C	C	.	.	H	α-helix	trans	-60.9	-43.5	174.1	0	0	0	0	0	112.1	L169 G225 M226 Q227 H233	L169-A229 HydrophobicContact CB-CB 4.05Å; G225-A229 WeakPolarHBondContact O-CB 3.45Å; G225-A229 PolarHBondContact O-N 3.36Å; M226-A229 PolarHBondContact O-N 2.83Å; Q227-A229 VanDerWaalsContact C-N 3.33Å; Q227-A229 PolarHBondContact O-N 2.91Å; A229-H233 PolarHBondContact O-CD2 3.05Å
230	A	98.6	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.3	-41.8	177.1	0	0	0	0	0	112.8	V173 M226 Q227 Q232 H233 K235 I237	V173-A230 HydrophobicContact CG1-CB 4.16Å; M226-A230 WeakPolarHBondContact O-CB 3.32Å; M226-A230 PolarHBondContact O-N 2.83Å; Q227-A230 PolarHBondContact O-N 2.99Å; A230-Q232 VanDerWaalsContact C-N 3.28Å; A230-Q232 PolarHBondContact O-N 3.04Å; A230-H233 PolarHBondContact O-N 3.42Å; A230-K235 CarbonylContact C-O 3.54Å; A230-K235 VanDerWaalsContact C-O 3.23Å; A230-K235 HydrophobicContact CB-CB 4.02Å; A230-K235 WeakPolarHBondContact O-CB 3.4Å; A230-K235 PolarHBondContact O-N 2.93Å; A230-I237 HydrophobicContact CB-CG2 3.92Å
231	S	97.7	Very high	98.3	Very high	22 Å²	22	21.6 Å²	21.6	15%	0.154	12%	0.116	C	C	.	.	H	α-helix	trans	-61	-35.6	-176.1	-64.6	0	0	0	0	113	Q227 L228 H233 G234 K235 I265	Q227-S231 PolarHBondContact NE2-OG 2.92Å; Q227-S231 WeakPolarHBondContact O-CB 3.37Å; Q227-S231 PolarHBondContact O-N 2.91Å; Q227-S231 PolarHBondContact O-OG 3.13Å; L228-S231 PolarHBondContact O-N 3.43Å; S231-H233 PolarHBondContact O-N 2.99Å; S231-G234 PolarHBondContact O-N 3.14Å; S231-K235 WeakPolarHBondContact CA-O 3.28Å; S231-K235 PolarHBondContact N-O 3.17Å; S231-I265 WeakPolarHBondContact OG-CD1 2.98Å
232	Q	97.1	Very high	98.3	Very high	141 Å²	141	21.6 Å²	21.6	66%	0.659	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.9	176.3	-70.9	178	-12	0	0	113.1	N170 L228 A230	N170-Q232 PolarHBondContact ND2-OE1 3.39Å; L228-Q232 PolarHBondContact O-N 3.43Å; A230-Q232 VanDerWaalsContact C-N 3.28Å; A230-Q232 PolarHBondContact O-N 3.04Å
233	H	97.2	Very high	98.2	Very high	70 Å²	70	21.6 Å²	21.6	32%	0.324	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	18.1	-178.5	-59.6	-71	0	0	0	112.9	N170 Q174 A229 A230 S231 K235	N170-H233 PolarHBondContact OD1-NE2 2.92Å; Q174-H233 PolarHBondContact NE2-CE1 3.42Å; Q174-H233 PolarHBondContact NE2-NE2 3.12Å; A229-H233 PolarHBondContact O-CD2 3.05Å; A230-H233 PolarHBondContact O-N 3.42Å; S231-H233 PolarHBondContact O-N 2.99Å; H233-K235 VanDerWaalsContact C-N 3.28Å; H233-K235 HydrophobicContact CB-CG 4.32Å; H233-K235 WeakPolarHBondContact O-CG 3.25Å; H233-K235 PolarHBondContact O-N 3.08Å
234	G	97	Very high	97.9	Very high	19 Å²	19	22.1 Å²	22.1	20%	0.196	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	26.8	-178.1	0	0	0	0	0	113.4	S231 S258	S231-G234 PolarHBondContact O-N 3.14Å; G234-S258 CarbonylContact O-C 3.57Å; G234-S258 VanDerWaalsContact O-C 3.31Å; G234-S258 PolarHBondContact O-N 3Å
235	K	98.1	Very high	97.6	Very high	9 Å²	9	22.2 Å²	22.2	4%	0.039	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	153.6	-177.5	-53.3	-170.5	-176.6	-174.2	0	112.3	V173 L176 Q227 A230 S231 H233 V255 W256 V262	V173-K235 WeakPolarHBondContact O-CD 3.2Å; V173-K235 PolarHBondContact O-NZ 2.97Å; L176-K235 PolarHBondContact O-NZ 3.42Å; Q227-K235 PolarHBondContact NE2-O 2.77Å; A230-K235 CarbonylContact C-O 3.54Å; A230-K235 VanDerWaalsContact C-O 3.23Å; A230-K235 HydrophobicContact CB-CB 4.02Å; A230-K235 WeakPolarHBondContact O-CB 3.4Å; A230-K235 PolarHBondContact O-N 2.93Å; S231-K235 WeakPolarHBondContact CA-O 3.28Å; S231-K235 PolarHBondContact N-O 3.17Å; H233-K235 VanDerWaalsContact C-N 3.28Å; H233-K235 HydrophobicContact CB-CG 4.32Å; H233-K235 WeakPolarHBondContact O-CG 3.25Å; H233-K235 PolarHBondContact O-N 3.08Å; K235-V255 HydrophobicContact CB-CG1 3.95Å; K235-V255 HydrophobicContact CD-CG1 3.7Å; K235-V255 HydrophobicContact CG-CG1 4.42Å; K235-W256 CarbonylContact C-O 3.59Å; K235-W256 WeakPolarHBondContact CA-O 3.46Å; K235-W256 WeakPolarHBondContact CB-O 3.27Å; K235-V262 WeakPolarHBondContact O-CG2 3.38Å
236	V	97.6	Very high	97.1	Very high	18 Å²	18	23.8 Å²	23.8	11%	0.109	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	149	173.5	-62.8	0	0	0	0	110.7	W256 V262 I265	V236-W256 HydrophobicContact CG2-CB 3.96Å; V236-W256 PolarHBondContact N-O 3.35Å; V236-W256 PolarHBondContact O-N 3.36Å; V236-V262 HydrophobicContact CG1-CB 4.49Å; V236-V262 HydrophobicContact CG1-CG2 3.73Å; V236-I265 HydrophobicContact CG1-CG2 3.9Å
237	I	98.6	Very high	96.6	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.015	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	148.5	174.7	68	171.8	0	0	0	110.9	L223 M226 Q227 A230 V253 R254 W322	L223-I237 HydrophobicContact CB-CD1 4.45Å; L223-I237 HydrophobicContact CD2-CD1 3.95Å; L223-I237 WeakPolarHBondContact O-CD1 3.17Å; M226-I237 HydrophobicContact CB-CD1 3.99Å; Q227-I237 HydrophobicContact CB-CD1 3.87Å; Q227-I237 HydrophobicContact CB-CG1 3.98Å; A230-I237 HydrophobicContact CB-CG2 3.92Å; I237-V253 HydrophobicContact CB-CB 4.24Å; I237-V253 HydrophobicContact CB-CG2 4.2Å; I237-V253 HydrophobicContact CD1-CG1 4.46Å; I237-V253 HydrophobicContact CG2-CG2 4.17Å; I237-R254 CarbonylContact C-O 3.23Å; I237-R254 WeakPolarHBondContact CA-O 3.28Å; I237-W322 HydrophobicContact CD1-CH2 4.49Å; I237-W322 HydrophobicContact CD1-CZ3 4.31Å; I237-W322 HydrophobicContact CG1-CH2 4.01Å; I237-W322 HydrophobicContact CG1-CZ3 4.06Å
238	E	98.1	Very high	96.4	Very high	71 Å²	71	24.4 Å²	24.4	33%	0.332	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	103.9	169.3	-178.8	-164.4	168.1	0	0	108.4	L240 V253 R254 W256	E238-L240 PolarHBondContact O-N 2.98Å; E238-V253 CarbonylContact O-C 3.36Å; E238-V253 VanDerWaalsContact O-CA 3.24Å; E238-V253 WeakPolarHBondContact O-CA 3.2Å; E238-R254 HydrophobicContact CB-CB 4.05Å; E238-R254 HydrophobicContact CB-CG 4.33Å; E238-R254 PolarHBondContact N-O 3.34Å; E238-R254 PolarHBondContact O-N 3.4Å; E238-W256 PolarHBondContact OE2-NE1 3.2Å
239	P	98.7	Very high	96.3	Very high	11 Å²	11	21.1 Å²	21.1	7%	0.071	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	122.7	176.6	-23.1	35.7	0	0	0	112.1	L223 V253 W322 L326 H327 S328	L223-P239 HydrophobicContact CD1-CB 4.48Å; L223-P239 HydrophobicContact CD1-CG 4.18Å; L223-P239 HydrophobicContact CD2-CB 4.23Å; L223-P239 HydrophobicContact CD2-CG 3.81Å; P239-V253 HydrophobicContact CB-CG1 4.42Å; P239-V253 HydrophobicContact CG-CG1 4.46Å; P239-W322 HydrophobicContact CG-CZ2 3.8Å; P239-L326 VanDerWaalsContact CB-O 3.25Å; P239-L326 WeakPolarHBondContact CB-O 3.36Å; P239-H327 CarbonylContact O-C 3.53Å; P239-S328 PolarHBondContact O-N 3.44Å
240	L	98.8	Very high	96.3	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-47.8	174.2	-61	-177.8	0	0	0	110.9	L181 E238 F252 R254 H327 S328 F331	L181-L240 HydrophobicContact CD1-CD1 3.86Å; E238-L240 PolarHBondContact O-N 2.98Å; L240-F252 HydrophobicContact CB-CB 4.42Å; L240-F252 PolarHBondContact N-O 3.03Å; L240-R254 HydrophobicContact CD1-CG 3.98Å; L240-R254 HydrophobicContact CD2-CG 3.75Å; L240-R254 HydrophobicContact CG-CG 3.94Å; L240-H327 WeakPolarHBondContact O-CA 3.32Å; L240-H327 WeakPolarHBondContact O-CB 3.33Å; L240-S328 PolarHBondContact O-N 2.98Å; L240-F331 HydrophobicContact CB-CD1 3.91Å; L240-F331 HydrophobicContact CB-CE1 4.18Å; L240-F331 HydrophobicContact CB-CG 4.16Å; L240-F331 HydrophobicContact CD1-CD2 4.06Å; L240-F331 HydrophobicContact CD1-CE1 4.48Å; L240-F331 HydrophobicContact CD1-CE2 3.94Å; L240-F331 HydrophobicContact CD1-CG 4.39Å; L240-F331 HydrophobicContact CD1-CZ 4.16Å; L240-F331 HydrophobicContact CD2-CB 4.08Å; L240-F331 HydrophobicContact CD2-CD2 4.13Å; L240-F331 HydrophobicContact CD2-CG 4.01Å; L240-F331 HydrophobicContact CG-CG 4.43Å
241	L	98.7	Very high	96.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	127.3	-178.6	176.9	57.3	0	0	0	109.9	L47 V51 L243 V251 F252 H327 L332 A401	L47-L241 HydrophobicContact CD1-CD2 3.97Å; V51-L241 HydrophobicContact CG2-CD2 4.25Å; L241-L243 HydrophobicContact CD1-CD1 4.13Å; L241-L243 HydrophobicContact CD1-CD2 3.58Å; L241-L243 HydrophobicContact CD1-CG 3.69Å; L241-L243 HydrophobicContact CD2-CD1 4.16Å; L241-L243 HydrophobicContact CD2-CG 4.45Å; L241-L243 HydrophobicContact CG-CD1 4.21Å; L241-L243 HydrophobicContact CG-CD2 4.4Å; L241-L243 HydrophobicContact CG-CG 3.95Å; L241-V251 CarbonylContact O-C 3.53Å; L241-V251 WeakPolarHBondContact O-CA 3.3Å; L241-F252 HydrophobicContact CB-CD2 4.1Å; L241-F252 HydrophobicContact CD2-CD2 4.41Å; L241-F252 HydrophobicContact CG-CD2 4.33Å; L241-F252 PolarHBondContact N-O 3Å; L241-F252 PolarHBondContact O-N 3.04Å; L241-H327 WeakPolarHBondContact CA-ND1 3.17Å; L241-L332 HydrophobicContact CB-CD2 4.41Å; L241-L332 HydrophobicContact CD1-CD2 4.06Å; L241-L332 HydrophobicContact CD2-CD2 4.42Å; L241-A401 HydrophobicContact CD1-CB 4.1Å
242	S	98.5	Very high	96.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	96.3	-175.4	-56.7	0	0	0	0	111	L219 R250 L326 H327 H446	L219-S242 WeakPolarHBondContact CD1-O 3.4Å; S242-R250 CarbonylContact C-O 3.52Å; S242-L326 VanDerWaalsContact CB-O 3.3Å; S242-L326 WeakPolarHBondContact CB-O 3.39Å; S242-L326 PolarHBondContact OG-O 3.43Å; S242-H327 PolarHBondContact N-CE1 2.64Å; S242-H327 VanDerWaalsContact N-CE1 3.31Å; S242-H327 PolarHBondContact N-ND1 3.07Å; S242-H327 PolarHBondContact O-CE1 3.26Å; S242-H446 PolarHBondContact O-NE2 3.35Å
243	L	96.8	Very high	96.4	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	137	-172.8	-60.8	179.9	0	0	0	112.6	L47 L241 V245 I249 R250 M397 A401 H446	L47-L243 HydrophobicContact CD2-CD1 3.69Å; L241-L243 HydrophobicContact CD1-CD1 4.13Å; L241-L243 HydrophobicContact CD1-CD2 3.58Å; L241-L243 HydrophobicContact CD1-CG 3.69Å; L241-L243 HydrophobicContact CD2-CD1 4.16Å; L241-L243 HydrophobicContact CD2-CG 4.45Å; L241-L243 HydrophobicContact CG-CD1 4.21Å; L241-L243 HydrophobicContact CG-CD2 4.4Å; L241-L243 HydrophobicContact CG-CG 3.95Å; L243-V245 HydrophobicContact CB-CG2 3.61Å; L243-V245 HydrophobicContact CD1-CG2 4.49Å; L243-I249 CarbonylContact O-C 3.56Å; L243-I249 WeakPolarHBondContact O-CA 3.39Å; L243-R250 PolarHBondContact N-O 3.19Å; L243-R250 PolarHBondContact O-N 2.79Å; L243-M397 HydrophobicContact CB-CE 4.31Å; L243-M397 HydrophobicContact CD1-CB 4.33Å; L243-M397 HydrophobicContact CD1-CE 4.22Å; L243-M397 HydrophobicContact CD2-CE 4.28Å; L243-A401 HydrophobicContact CD2-CB 4.4Å; L243-H446 VanDerWaalsContact CD2-CD2 3.46Å; L243-H446 WeakPolarHBondContact CD2-CD2 3.49Å
244	S	94.1	Very high	96.5	Very high	11 Å²	11	9.6 Å²	9.6	8%	0.077	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120	158	-169.8	0	0	0	0	108.5	H215	H215-S244 PolarHBondContact ND1-OG 2.97Å
245	V	91.5	Very high	96.6	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	106.3	-170.8	-168.9	0	0	0	0	108.9	F43 L243 F247 Y248 M397	F43-V245 HydrophobicContact CD1-CG1 3.62Å; F43-V245 HydrophobicContact CD1-CG2 4.48Å; F43-V245 HydrophobicContact CE1-CB 4.44Å; F43-V245 HydrophobicContact CE1-CG1 3.66Å; F43-V245 HydrophobicContact CE1-CG2 3.88Å; L243-V245 HydrophobicContact CB-CG2 3.61Å; L243-V245 HydrophobicContact CD1-CG2 4.49Å; V245-F247 PolarHBondContact O-N 2.85Å; V245-Y248 CarbonylContact C-O 3.59Å; V245-Y248 HydrophobicContact CB-CD2 4.27Å; V245-Y248 HydrophobicContact CB-CE1 4.06Å; V245-Y248 HydrophobicContact CB-CE2 3.77Å; V245-Y248 HydrophobicContact CG1-CE1 4.04Å; V245-Y248 HydrophobicContact CG1-CE2 4.26Å; V245-Y248 WeakPolarHBondContact CG1-OH 3.38Å; V245-Y248 HydrophobicContact CG2-CE2 4.14Å; V245-Y248 PolarHBondContact N-O 2.94Å; V245-Y248 WeakPolarHBondContact O-CD1 3.39Å; V245-Y248 WeakPolarHBondContact O-CE1 3.35Å; V245-Y248 PolarHBondContact O-N 2.86Å; V245-Y248 VanDerWaalsContact O-O 3.11Å; V245-M397 HydrophobicContact CG2-CE 4.02Å
246	D	87.2	Confident	96.5	Very high	41 Å²	41	11.2 Å²	11.2	22%	0.219	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-91.4	177.6	-50.1	-37.9	0	0	0	113	R393	D246-R393 IonicContact OD1-CZ 2.73Å; D246-R393 IonicContact OD1-NH1 2.86Å; D246-R393 IonicContact OD1-NH2 3.85Å; D246-R393 PolarHBondContact OD1-NH2 3.38Å; D246-R393 IonicContact OD2-CZ 2.87Å; D246-R393 IonicContact OD2-NH1 3.68Å; D246-R393 PolarHBondContact OD2-NH1 2.89Å; D246-R393 IonicContact OD2-NH2 3.71Å; D246-R393 PolarHBondContact OD2-NH2 3.49Å
247	F	88.8	Confident	96.5	Very high	14 Å²	14	12.9 Å²	12.9	6%	0.061	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	9.6	-177.6	60.7	-96.1	0	0	0	114.2	N38 V40 Q41 L189 V245 P583	N38-F247 VanDerWaalsContact ND2-CZ 3.26Å; N38-F247 WeakPolarHBondContact ND2-CZ 3.33Å; V40-F247 HydrophobicContact CB-CE1 3.86Å; V40-F247 HydrophobicContact CB-CZ 4.17Å; V40-F247 HydrophobicContact CG1-CD1 4.49Å; V40-F247 HydrophobicContact CG1-CE1 3.49Å; V40-F247 VanDerWaalsContact CG1-CE1 3.49Å; V40-F247 HydrophobicContact CG1-CZ 4.1Å; V40-F247 HydrophobicContact CG2-CE1 4.45Å; Q41-F247 HydrophobicContact CG-CZ 4.5Å; L189-F247 WeakPolarHBondContact CD1-O 3.43Å; L189-F247 WeakPolarHBondContact CG-O 3.19Å; V245-F247 PolarHBondContact O-N 2.85Å; F247-P583 HydrophobicContact CB-CG 4Å; F247-P583 HydrophobicContact CD2-CB 3.81Å; F247-P583 HydrophobicContact CD2-CG 3.83Å; F247-P583 HydrophobicContact CE2-CB 4.25Å; F247-P583 HydrophobicContact CG-CB 4.47Å; F247-P583 HydrophobicContact CG-CG 4.11Å
248	Y	94.2	Very high	96.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	165.6	177.9	64.1	-85.3	0	0	0	112.1	F43 N44 T185 S186 V245 R250	F43-Y248 WeakPolarHBondContact CD1-OH 3.37Å; N44-Y248 HydrophobicContact CB-CE2 3.91Å; N44-Y248 WeakPolarHBondContact CB-OH 3.28Å; N44-Y248 PolarHBondContact N-OH 3.34Å; T185-Y248 HydrophobicContact CG2-CD2 3.8Å; T185-Y248 HydrophobicContact CG2-CG 4.22Å; S186-Y248 CarbonylContact O-C 3.57Å; S186-Y248 WeakPolarHBondContact O-CA 3.23Å; V245-Y248 CarbonylContact C-O 3.59Å; V245-Y248 HydrophobicContact CB-CD2 4.27Å; V245-Y248 HydrophobicContact CB-CE1 4.06Å; V245-Y248 HydrophobicContact CB-CE2 3.77Å; V245-Y248 HydrophobicContact CG1-CE1 4.04Å; V245-Y248 HydrophobicContact CG1-CE2 4.26Å; V245-Y248 WeakPolarHBondContact CG1-OH 3.38Å; V245-Y248 HydrophobicContact CG2-CE2 4.14Å; V245-Y248 PolarHBondContact N-O 2.94Å; V245-Y248 WeakPolarHBondContact O-CD1 3.39Å; V245-Y248 WeakPolarHBondContact O-CE1 3.35Å; V245-Y248 PolarHBondContact O-N 2.86Å; V245-Y248 VanDerWaalsContact O-O 3.11Å; Y248-R250 HydrophobicContact CD2-CB 4.23Å; Y248-R250 HydrophobicContact CE2-CB 4.04Å
249	I	96.7	Very high	96.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.4	168	-81	163.3	0	0	0	107.6	T185 S186 L189 L192 L219 L222 L243 V251	T185-I249 CarbonylContact C-O 3.45Å; T185-I249 VanDerWaalsContact CA-O 3.28Å; T185-I249 WeakPolarHBondContact CA-O 3.35Å; S186-I249 PolarHBondContact N-O 3.18Å; S186-I249 PolarHBondContact O-N 3.08Å; L189-I249 HydrophobicContact CD2-CD1 3.74Å; L189-I249 HydrophobicContact CD2-CG1 3.82Å; L192-I249 HydrophobicContact CB-CD1 4.31Å; L192-I249 HydrophobicContact CD1-CD1 3.81Å; L219-I249 HydrophobicContact CD2-CB 4.26Å; L219-I249 HydrophobicContact CD2-CD1 4.3Å; L219-I249 HydrophobicContact CD2-CG1 3.89Å; L219-I249 HydrophobicContact CD2-CG2 3.48Å; L219-I249 VanDerWaalsContact CD2-CG2 3.48Å; L219-I249 HydrophobicContact CG-CD1 4.43Å; L219-I249 HydrophobicContact CG-CG1 4.4Å; L222-I249 HydrophobicContact CD2-CG2 3.53Å; L243-I249 CarbonylContact O-C 3.56Å; L243-I249 WeakPolarHBondContact O-CA 3.39Å; I249-V251 HydrophobicContact CG2-CG2 3.67Å
250	R	97.8	Very high	95.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	118.9	173.6	-177.2	60.5	171	177.8	0.5	109.8	N44 L47 T48 D158 V184 T185 S242 L243 Y248 F252	N44-R250 VanDerWaalsContact OD1-CD 3.23Å; N44-R250 WeakPolarHBondContact OD1-CD 3.3Å; N44-R250 PolarHBondContact OD1-NE 3.34Å; N44-R250 VanDerWaalsContact OD1-NE 3.14Å; L47-R250 HydrophobicContact CD2-CG 4.3Å; T48-R250 VanDerWaalsContact CG2-NH2 3.25Å; T48-R250 PolarHBondContact OG1-NE 3.05Å; T48-R250 PolarHBondContact OG1-NH2 3.1Å; D158-R250 IonicContact OD1-CZ 3.53Å; D158-R250 IonicContact OD1-NH1 3.44Å; D158-R250 PolarHBondContact OD1-NH1 2.8Å; D158-R250 IonicContact OD1-NH2 2.69Å; D158-R250 PolarHBondContact OD1-NH2 2.96Å; V184-R250 WeakPolarHBondContact O-CA 3.26Å; T185-R250 PolarHBondContact OG1-NH1 3.13Å; S242-R250 CarbonylContact C-O 3.52Å; L243-R250 PolarHBondContact N-O 3.19Å; L243-R250 PolarHBondContact O-N 2.79Å; Y248-R250 HydrophobicContact CD2-CB 4.23Å; Y248-R250 HydrophobicContact CE2-CB 4.04Å; R250-F252 HydrophobicContact CG-CD2 4.39Å; R250-F252 HydrophobicContact CG-CE2 3.56Å; R250-F252 HydrophobicContact CG-CZ 3.76Å; R250-F252 VanDerWaalsContact NE-CZ 3.31Å
251	V	98.8	Very high	95.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.4	-176.9	176.2	0	0	0	0	110	V184 L219 L222 L223 M226 L241 I249 V253	V184-V251 PolarHBondContact N-O 3.19Å; V184-V251 PolarHBondContact O-N 2.75Å; L219-V251 HydrophobicContact CD2-CG2 4.15Å; L222-V251 HydrophobicContact CD2-CB 4.44Å; L222-V251 HydrophobicContact CD2-CG2 3.86Å; L223-V251 HydrophobicContact CD2-CG1 3.64Å; M226-V251 HydrophobicContact CE-CG1 4.26Å; M226-V251 HydrophobicContact SD-CB 4.5Å; M226-V251 HydrophobicContact SD-CG1 4.05Å; L241-V251 CarbonylContact O-C 3.53Å; L241-V251 WeakPolarHBondContact O-CA 3.3Å; I249-V251 HydrophobicContact CG2-CG2 3.67Å; V251-V253 HydrophobicContact CG1-CG1 3.62Å
252	F	98.9	Very high	95.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.6	174	-59.1	-86.4	0	0	0	108.6	L47 T48 V51 L181 L182 C183 L240 L241 R250	L47-F252 HydrophobicContact CD2-CE2 3.82Å; L47-F252 HydrophobicContact CD2-CZ 4.27Å; L47-F252 HydrophobicContact CG-CE2 3.88Å; L47-F252 HydrophobicContact CG-CZ 4.01Å; T48-F252 HydrophobicContact CG2-CE1 4.44Å; V51-F252 HydrophobicContact CB-CD1 4.15Å; V51-F252 HydrophobicContact CB-CE1 3.99Å; V51-F252 HydrophobicContact CB-CG 4.48Å; V51-F252 HydrophobicContact CB-CZ 4.2Å; V51-F252 HydrophobicContact CG1-CB 4.16Å; V51-F252 HydrophobicContact CG1-CD1 3.54Å; V51-F252 HydrophobicContact CG1-CD2 4.33Å; V51-F252 HydrophobicContact CG1-CE1 3.92Å; V51-F252 HydrophobicContact CG1-CG 3.76Å; V51-F252 HydrophobicContact CG1-CZ 4.45Å; V51-F252 HydrophobicContact CG2-CD2 4.26Å; V51-F252 HydrophobicContact CG2-CE1 4.38Å; V51-F252 HydrophobicContact CG2-CE2 4.06Å; V51-F252 HydrophobicContact CG2-CZ 4.11Å; L181-F252 HydrophobicContact CD1-CB 4.25Å; L182-F252 WeakPolarHBondContact O-CA 3.24Å; C183-F252 HydrophobicContact CB-CD1 3.81Å; C183-F252 HydrophobicContact CB-CE1 3.88Å; L240-F252 HydrophobicContact CB-CB 4.42Å; L240-F252 PolarHBondContact N-O 3.03Å; L241-F252 HydrophobicContact CB-CD2 4.1Å; L241-F252 HydrophobicContact CD2-CD2 4.41Å; L241-F252 HydrophobicContact CG-CD2 4.33Å; L241-F252 PolarHBondContact N-O 3Å; L241-F252 PolarHBondContact O-N 3.04Å; R250-F252 HydrophobicContact CG-CD2 4.39Å; R250-F252 HydrophobicContact CG-CE2 3.56Å; R250-F252 HydrophobicContact CG-CZ 3.76Å; R250-F252 VanDerWaalsContact NE-CZ 3.31Å
253	V	98.9	Very high	94.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.5	176.7	-49.8	0	0	0	0	111.7	L182 L223 M226 I237 E238 P239 V251 V255	L182-V253 HydrophobicContact CB-CG2 3.84Å; L182-V253 HydrophobicContact CD2-CG2 4.38Å; L182-V253 HydrophobicContact CG-CG2 4.48Å; L182-V253 PolarHBondContact N-O 3.07Å; L182-V253 PolarHBondContact O-N 3.2Å; L223-V253 HydrophobicContact CD2-CG1 3.88Å; M226-V253 HydrophobicContact CE-CB 4.26Å; M226-V253 HydrophobicContact CE-CG1 3.7Å; M226-V253 HydrophobicContact CE-CG2 3.44Å; M226-V253 VanDerWaalsContact CE-CG2 3.44Å; I237-V253 HydrophobicContact CB-CB 4.24Å; I237-V253 HydrophobicContact CB-CG2 4.2Å; I237-V253 HydrophobicContact CD1-CG1 4.46Å; I237-V253 HydrophobicContact CG2-CG2 4.17Å; E238-V253 CarbonylContact O-C 3.36Å; E238-V253 VanDerWaalsContact O-CA 3.24Å; E238-V253 WeakPolarHBondContact O-CA 3.2Å; P239-V253 HydrophobicContact CB-CG1 4.42Å; P239-V253 HydrophobicContact CG-CG1 4.46Å; V251-V253 HydrophobicContact CG1-CG1 3.62Å; V253-V255 HydrophobicContact CG2-CG2 4.08Å
254	R	98.6	Very high	94.6	Very high	1 Å²	1	30 Å²	30	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	144.8	159.8	-43.1	-86.5	-69.6	123.1	-3.1	108.3	F55 E62 G179 G180 I237 E238 L240	F55-R254 VanDerWaalsContact CE2-CZ 3.49Å; E62-R254 IonicContact OE1-NH2 3.49Å; E62-R254 PolarHBondContact OE1-NH2 3.01Å; E62-R254 IonicContact OE2-NH2 3.81Å; E62-R254 PolarHBondContact OE2-NH2 3.31Å; G179-R254 VanDerWaalsContact C-CZ 3.49Å; G179-R254 PolarHBondContact O-NH1 3.29Å; G179-R254 PolarHBondContact O-NH2 3.3Å; G180-R254 VanDerWaalsContact O-CA 3.31Å; G180-R254 WeakPolarHBondContact O-CA 3.49Å; G180-R254 PolarHBondContact O-NH1 3.04Å; I237-R254 CarbonylContact C-O 3.23Å; I237-R254 WeakPolarHBondContact CA-O 3.28Å; E238-R254 HydrophobicContact CB-CB 4.05Å; E238-R254 HydrophobicContact CB-CG 4.33Å; E238-R254 PolarHBondContact N-O 3.34Å; E238-R254 PolarHBondContact O-N 3.4Å; L240-R254 HydrophobicContact CD1-CG 3.98Å; L240-R254 HydrophobicContact CD2-CG 3.75Å; L240-R254 HydrophobicContact CG-CG 3.94Å
255	V	98.6	Very high	94.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.5	173.4	-175.1	0	0	0	0	109.6	V173 L176 G179 G180 L182 K235 V253	V173-V255 HydrophobicContact CB-CG1 4.34Å; V173-V255 HydrophobicContact CG1-CG1 4.49Å; V173-V255 HydrophobicContact CG1-CG2 4.39Å; L176-V255 HydrophobicContact CD1-CB 4.33Å; L176-V255 HydrophobicContact CD1-CG2 3.83Å; G179-V255 WeakPolarHBondContact CA-O 3.35Å; G179-V255 PolarHBondContact N-O 3.46Å; G180-V255 PolarHBondContact O-N 2.87Å; L182-V255 HydrophobicContact CB-CG2 4.08Å; L182-V255 HydrophobicContact CD2-CG2 4.43Å; K235-V255 HydrophobicContact CB-CG1 3.95Å; K235-V255 HydrophobicContact CD-CG1 3.7Å; K235-V255 HydrophobicContact CG-CG1 4.42Å; V253-V255 HydrophobicContact CG2-CG2 4.08Å
256	W	97.6	Very high	94.6	Very high	60 Å²	60	32.3 Å²	32.3	23%	0.227	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.2	-175.5	-63.9	103	0	0	0	111.4	K235 V236 E238 S258	K235-W256 CarbonylContact C-O 3.59Å; K235-W256 WeakPolarHBondContact CA-O 3.46Å; K235-W256 WeakPolarHBondContact CB-O 3.27Å; V236-W256 HydrophobicContact CG2-CB 3.96Å; V236-W256 PolarHBondContact N-O 3.35Å; V236-W256 PolarHBondContact O-N 3.36Å; E238-W256 PolarHBondContact OE2-NE1 3.2Å; W256-S258 PolarHBondContact O-N 3.18Å
257	S	96.3	Very high	94.9	Very high	53 Å²	53	31.7 Å²	31.7	37%	0.371	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	104	166.9	-74.7	0	0	0	0	109.5	N178	N178-S257 PolarHBondContact OD1-N 2.85Å
258	S	95	Very high	95.2	Very high	25 Å²	25	35.1 Å²	35.1	18%	0.175	20%	0.198	C	C	.	.			trans	-151.2	83.2	178.4	-176.5	0	0	0	0	110.1	G234 W256 I260 S261 V262	G234-S258 CarbonylContact O-C 3.57Å; G234-S258 VanDerWaalsContact O-C 3.31Å; G234-S258 PolarHBondContact O-N 3Å; W256-S258 PolarHBondContact O-N 3.18Å; S258-I260 PolarHBondContact O-N 3.47Å; S258-I260 VanDerWaalsContact O-N 3.1Å; S258-S261 PolarHBondContact O-N 2.74Å; S258-S261 WeakPolarHBondContact OG-CB 3.21Å; S258-S261 PolarHBondContact OG-N 3.33Å; S258-S261 PolarHBondContact OG-OG 2.87Å; S258-V262 WeakPolarHBondContact O-CG2 3.27Å; S258-V262 PolarHBondContact O-N 3Å
259	P	93.4	Very high	95.4	Very high	87 Å²	87	35.6 Å²	35.6	57%	0.565	20%	0.2	S	C	*	.	H	α-helix	trans	-56.4	-28.2	177.3	-26.4	35.2	0	0	0	113
260	I	90.8	Very high	95.4	Very high	90 Å²	90	35.6 Å²	35.6	46%	0.462	20%	0.2	S	C	.	.	H	α-helix	trans	-70.9	-48.6	176.1	-53.7	173.6	0	0	0	110.3	S258 V262 K263 K294	S258-I260 PolarHBondContact O-N 3.47Å; S258-I260 VanDerWaalsContact O-N 3.1Å; I260-V262 PolarHBondContact O-N 2.91Å; I260-K263 WeakPolarHBondContact O-CB 3.24Å; I260-K263 PolarHBondContact O-N 3.32Å; I260-K263 VanDerWaalsContact O-N 3.07Å; I260-K294 HydrophobicContact CB-CD 4.28Å; I260-K294 HydrophobicContact CG2-CB 3.46Å; I260-K294 VanDerWaalsContact CG2-CB 3.46Å; I260-K294 HydrophobicContact CG2-CD 3.47Å; I260-K294 VanDerWaalsContact CG2-CD 3.47Å; I260-K294 HydrophobicContact CG2-CG 4.09Å
261	S	92.2	Very high	95.4	Very high	41 Å²	41	37.5 Å²	37.5	29%	0.287	21%	0.21	S	C	.	.	H	α-helix	trans	-64.8	-26.6	178.2	-59.5	0	0	0	0	112.8	S258 K263 A264	S258-S261 PolarHBondContact O-N 2.74Å; S258-S261 WeakPolarHBondContact OG-CB 3.21Å; S258-S261 PolarHBondContact OG-N 3.33Å; S258-S261 PolarHBondContact OG-OG 2.87Å; S261-K263 PolarHBondContact O-N 3.34Å; S261-A264 PolarHBondContact O-N 2.75Å
262	V	93.5	Very high	95.3	Very high	29 Å²	29	37.5 Å²	37.5	18%	0.176	21%	0.21	C	C	.	.	H	α-helix	trans	-57.6	-35.2	172.7	172.4	0	0	0	0	111.4	K235 V236 S258 I260 A264 I265	K235-V262 WeakPolarHBondContact O-CG2 3.38Å; V236-V262 HydrophobicContact CG1-CB 4.49Å; V236-V262 HydrophobicContact CG1-CG2 3.73Å; S258-V262 WeakPolarHBondContact O-CG2 3.27Å; S258-V262 PolarHBondContact O-N 3Å; I260-V262 PolarHBondContact O-N 2.91Å; V262-A264 PolarHBondContact O-N 3.32Å; V262-I265 HydrophobicContact CG1-CD1 4.36Å; V262-I265 VanDerWaalsContact O-CG1 3.24Å; V262-I265 WeakPolarHBondContact O-CG1 3.49Å; V262-I265 WeakPolarHBondContact O-CG2 3.35Å; V262-I265 PolarHBondContact O-N 3.37Å
263	K	91.7	Very high	95.3	Very high	149 Å²	149	39.9 Å²	39.9	65%	0.648	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.3	177.3	-58.4	-178.3	-178.9	-176.7	0	113.2	I260 S261	I260-K263 WeakPolarHBondContact O-CB 3.24Å; I260-K263 PolarHBondContact O-N 3.32Å; I260-K263 VanDerWaalsContact O-N 3.07Å; S261-K263 PolarHBondContact O-N 3.34Å
264	A	91.3	Very high	95.2	Very high	27 Å²	27	40.9 Å²	40.9	22%	0.223	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	0.2	-179.4	0	0	0	0	0	114.1	S261 V262 A266 A267 V296	S261-A264 PolarHBondContact O-N 2.75Å; V262-A264 PolarHBondContact O-N 3.32Å; A264-A266 PolarHBondContact O-N 3.1Å; A264-A267 PolarHBondContact O-N 2.84Å; A264-V296 VanDerWaalsContact CA-CG2 3.43Å; A264-V296 HydrophobicContact CB-CG2 3.82Å; A264-V296 WeakPolarHBondContact O-CG2 3.32Å
265	I	93	Very high	95.1	Very high	27 Å²	27	40.9 Å²	40.9	14%	0.138	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-68.1	-23.7	-175	69.9	-174.4	0	0	0	112.8	Q227 S231 V236 V262 A267 K268 H269	Q227-I265 HydrophobicContact CG-CB 4.5Å; Q227-I265 HydrophobicContact CG-CD1 4.49Å; Q227-I265 HydrophobicContact CG-CG2 4.43Å; S231-I265 WeakPolarHBondContact OG-CD1 2.98Å; V236-I265 HydrophobicContact CG1-CG2 3.9Å; V262-I265 HydrophobicContact CG1-CD1 4.36Å; V262-I265 VanDerWaalsContact O-CG1 3.24Å; V262-I265 WeakPolarHBondContact O-CG1 3.49Å; V262-I265 WeakPolarHBondContact O-CG2 3.35Å; V262-I265 PolarHBondContact O-N 3.37Å; I265-A267 PolarHBondContact O-N 3.34Å; I265-A267 VanDerWaalsContact O-N 3.08Å; I265-K268 WeakPolarHBondContact O-CA 3.49Å; I265-K268 WeakPolarHBondContact O-CB 3.39Å; I265-K268 PolarHBondContact O-N 3.23Å; I265-H269 PolarHBondContact O-CD2 3.03Å; I265-H269 PolarHBondContact O-N 3.31Å
266	A	93.7	Very high	94.9	Very high	33 Å²	33	44.1 Å²	44.1	27%	0.273	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-56.9	-27.5	-179	0	0	0	0	0	112.5	A264 K268 H269 F286 G287 V296	A264-A266 PolarHBondContact O-N 3.1Å; A266-K268 PolarHBondContact O-N 2.7Å; A266-H269 PolarHBondContact O-N 2.87Å; A266-H269 VanDerWaalsContact O-O 3.09Å; A266-F286 HydrophobicContact CB-CB 4.36Å; A266-G287 PolarHBondContact O-N 3.12Å; A266-V296 HydrophobicContact CB-CG1 4Å
267	A	93.4	Very high	94.7	Very high	28 Å²	28	41.9 Å²	41.9	23%	0.231	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-72.6	-11.1	172.8	0	0	0	0	0	114.6	A264 I265 G287 A289 V296 I323	A264-A267 PolarHBondContact O-N 2.84Å; I265-A267 PolarHBondContact O-N 3.34Å; I265-A267 VanDerWaalsContact O-N 3.08Å; A267-G287 VanDerWaalsContact CA-O 3.24Å; A267-G287 WeakPolarHBondContact CA-O 3.46Å; A267-G287 WeakPolarHBondContact CB-O 3.38Å; A267-A289 HydrophobicContact CB-CB 4.5Å; A267-V296 HydrophobicContact CB-CG2 3.98Å; A267-I323 WeakPolarHBondContact O-CD1 3.26Å
268	K	95.3	Very high	94.7	Very high	86 Å²	86	39.3 Å²	39.3	37%	0.374	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-105.9	4.2	176.1	-59.1	-171.7	-177.4	179.6	0	113.1	I265 A266 W322 I323	I265-K268 WeakPolarHBondContact O-CA 3.49Å; I265-K268 WeakPolarHBondContact O-CB 3.39Å; I265-K268 PolarHBondContact O-N 3.23Å; A266-K268 PolarHBondContact O-N 2.7Å; K268-W322 HydrophobicContact CB-CE3 4.05Å; K268-W322 HydrophobicContact CB-CH2 4.23Å; K268-W322 HydrophobicContact CB-CZ3 3.88Å; K268-W322 HydrophobicContact CD-CH2 3.39Å; K268-W322 HydrophobicContact CD-CZ2 3.88Å; K268-W322 HydrophobicContact CD-CZ3 3.83Å; K268-W322 HydrophobicContact CG-CH2 4.44Å; K268-W322 CarbonylContact O-C 3.45Å; K268-W322 WeakPolarHBondContact O-CA 3.43Å; K268-I323 WeakPolarHBondContact O-CG1 3.43Å; K268-I323 PolarHBondContact O-N 3.07Å
269	H	97.3	Very high	94.8	Very high	11 Å²	11	39.7 Å²	39.7	5%	0.051	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.2	172.7	-65.6	-87.6	0	0	0	109.9	N224 Q227 I265 A266 F286 I321	N224-H269 PolarHBondContact OD1-CE1 2.94Å; N224-H269 VanDerWaalsContact OD1-CE1 3.26Å; N224-H269 PolarHBondContact OD1-ND1 2.68Å; Q227-H269 WeakPolarHBondContact CG-NE2 3.44Å; I265-H269 PolarHBondContact O-CD2 3.03Å; I265-H269 PolarHBondContact O-N 3.31Å; A266-H269 PolarHBondContact O-N 2.87Å; A266-H269 VanDerWaalsContact O-O 3.09Å; H269-F286 HydrophobicContact CB-CD2 3.88Å; H269-F286 HydrophobicContact CB-CE2 4.33Å; H269-F286 PolarHBondContact O-N 2.89Å; H269-I321 WeakPolarHBondContact CA-O 3.43Å
270	G	97.6	Very high	94.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	153.6	177.5	0	0	0	0	0	113.7	Q284 P320 I321	G270-Q284 CarbonylContact C-O 3.59Å; G270-Q284 WeakPolarHBondContact CA-O 3.38Å; G270-P320 CarbonylContact O-C 3.31Å; G270-P320 VanDerWaalsContact O-CA 3.3Å; G270-P320 WeakPolarHBondContact O-CA 3.45Å; G270-I321 PolarHBondContact N-O 2.78Å; G270-I321 VanDerWaalsContact N-O 3.1Å; G270-I321 PolarHBondContact O-N 2.84Å
271	I	97.8	Very high	95.2	Very high	39 Å²	39	32.9 Å²	32.9	20%	0.2	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	148.4	170.1	59.7	176.7	0	0	0	109.7	Y273 I283 Q284 F286	I271-Y273 HydrophobicContact CD1-CE2 3.96Å; I271-Y273 HydrophobicContact CG1-CE2 4.05Å; I271-I283 WeakPolarHBondContact O-CA 3.27Å; I271-Q284 HydrophobicContact CD1-CB 4.28Å; I271-Q284 HydrophobicContact CD1-CG 4.45Å; I271-Q284 HydrophobicContact CG1-CB 3.71Å; I271-Q284 HydrophobicContact CG1-CG 4.25Å; I271-Q284 PolarHBondContact N-O 2.93Å; I271-Q284 PolarHBondContact O-N 2.81Å; I271-F286 HydrophobicContact CG1-CE1 4.43Å; I271-F286 HydrophobicContact CG2-CE1 3.67Å; I271-F286 HydrophobicContact CG2-CZ 3.67Å
272	C	97.6	Very high	95.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.6	-176.2	-64.8	0	0	0	0	110.5	H282 V317 F318 I321	C272-H282 CarbonylContact C-O 3.59Å; C272-H282 WeakPolarHBondContact CA-O 3.41Å; C272-V317 CarbonylContact O-C 3.57Å; C272-V317 VanDerWaalsContact O-CA 3.32Å; C272-V317 WeakPolarHBondContact O-CA 3.48Å; C272-F318 HydrophobicContact CB-CD1 3.65Å; C272-F318 HydrophobicContact CB-CD2 4.21Å; C272-F318 HydrophobicContact CB-CE1 3.2Å; C272-F318 HydrophobicContact CB-CE2 3.8Å; C272-F318 HydrophobicContact CB-CG 4.14Å; C272-F318 HydrophobicContact CB-CZ 3.28Å; C272-F318 PolarHBondContact N-O 2.91Å; C272-F318 PolarHBondContact O-N 2.86Å; C272-I321 WeakPolarHBondContact SG-CD1 3.48Å
273	Y	97.5	Very high	95.6	Very high	51 Å²	51	33.4 Å²	33.4	20%	0.2	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.8	170.1	-62	-99.5	0	0	0	107.1	I271 Y281 H282 Q284 P303 I304 F315 H316 V317	I271-Y273 HydrophobicContact CD1-CE2 3.96Å; I271-Y273 HydrophobicContact CG1-CE2 4.05Å; Y273-Y281 CarbonylContact O-C 3.6Å; Y273-Y281 WeakPolarHBondContact O-CA 3.4Å; Y273-Y281 WeakPolarHBondContact O-CB 3.19Å; Y273-H282 PolarHBondContact N-O 3.25Å; Y273-H282 PolarHBondContact O-N 3.22Å; Y273-Q284 HydrophobicContact CE2-CB 4.1Å; Y273-P303 HydrophobicContact CD2-CG 4.03Å; Y273-P303 HydrophobicContact CE2-CG 4.04Å; Y273-I304 HydrophobicContact CD1-CG2 4.31Å; Y273-I304 HydrophobicContact CG-CG2 4.13Å; Y273-F315 HydrophobicContact CD1-CB 4.32Å; Y273-H316 CarbonylContact C-O 3.58Å; Y273-H316 WeakPolarHBondContact CA-O 3.37Å; Y273-V317 HydrophobicContact CD1-CG2 3.81Å; Y273-V317 HydrophobicContact CE1-CG2 3.79Å
274	I	96.4	Very high	95.8	Very high	21 Å²	21	27.3 Å²	27.3	11%	0.108	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.5	177.6	-170.5	169.1	0	0	0	111.5	I209 T211 P276 A280 F315 H316 F318	I209-I274 HydrophobicContact CD1-CG2 3.91Å; T211-I274 HydrophobicContact CG2-CD1 3.72Å; T211-I274 HydrophobicContact CG2-CG2 4.35Å; I274-P276 WeakPolarHBondContact O-CD 3.29Å; I274-A280 CarbonylContact C-O 3.58Å; I274-A280 WeakPolarHBondContact CA-O 3.4Å; I274-F315 VanDerWaalsContact C-CD1 3.45Å; I274-F315 WeakPolarHBondContact O-CA 3.39Å; I274-H316 HydrophobicContact CG2-CB 4.04Å; I274-H316 PolarHBondContact N-O 3.4Å; I274-H316 PolarHBondContact O-N 2.83Å; I274-F318 HydrophobicContact CB-CE1 4.16Å; I274-F318 HydrophobicContact CG2-CD1 4Å; I274-F318 HydrophobicContact CG2-CE1 3.88Å
275	C	96.6	Very high	96.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.			trans	-84.4	118.1	-178.5	174.5	0	0	0	0	109.8	G277 C278 L279 A280 C308 C311 F315	C275-G277 PolarHBondContact O-N 3.32Å; C275-G277 PolarHBondContact SG-N 3.2Å; C275-G277 VanDerWaalsContact SG-N 3.38Å; C275-C278 PolarHBondContact SG-N 3.11Å; C275-C278 PolarHBondContact SG-SG 3.02Å; C275-L279 VanDerWaalsContact O-CA 3.23Å; C275-L279 WeakPolarHBondContact O-CA 3.35Å; C275-L279 PolarHBondContact O-N 3.03Å; C275-A280 HydrophobicContact CB-CB 3.95Å; C275-A280 WeakPolarHBondContact CB-O 3.5Å; C275-A280 PolarHBondContact N-O 2.96Å; C275-C308 HydrophobicContact CB-CB 4.19Å; C275-C311 PolarHBondContact SG-SG 3.29Å; C275-F315 HydrophobicContact CB-CD1 3.86Å; C275-F315 HydrophobicContact CB-CE1 3.59Å; C275-F315 HydrophobicContact CB-CZ 4.3Å
276	P	94.3	Very high	96.2	Very high	70 Å²	70	31.6 Å²	31.6	46%	0.455	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.9	178	30.9	-34.9	0	0	0	113.2	I274 K314	I274-P276 WeakPolarHBondContact O-CD 3.29Å; P276-K314 WeakPolarHBondContact CD-O 3.23Å
277	G	94.9	Very high	96.2	Very high	12 Å²	12	30.1 Å²	30.1	12%	0.124	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-67.8	177.3	0	0	0	0	0	113.2	C275 V420	C275-G277 PolarHBondContact O-N 3.32Å; C275-G277 PolarHBondContact SG-N 3.2Å; C275-G277 VanDerWaalsContact SG-N 3.38Å; G277-V420 WeakPolarHBondContact O-CG2 3.37Å
278	C	95.8	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-0.8	-174.8	62.4	0	0	0	0	115.4	C275 A280 C308 C311 H458 L544	C275-C278 PolarHBondContact SG-N 3.11Å; C275-C278 PolarHBondContact SG-SG 3.02Å; C278-A280 PolarHBondContact O-N 3.2Å; C278-A280 VanDerWaalsContact SG-CB 3.59Å; C278-C308 PolarHBondContact SG-SG 3.01Å; C278-C311 HydrophobicContact CB-CB 4.18Å; C278-C311 VanDerWaalsContact SG-SG 3.64Å; C278-H458 PolarHBondContact O-CE1 3.45Å; C278-H458 PolarHBondContact O-NE2 3.16Å; C278-L544 HydrophobicContact CB-CD1 3.92Å; C278-L544 HydrophobicContact CB-CD2 4.31Å
279	L	96.2	Very high	95	Very high	32 Å²	32	32.9 Å²	32.9	17%	0.168	18%	0.177	C	C	.	.			trans	68.7	10.5	-177.5	-43.4	173.8	0	0	0	114.8	C275 Y281 Q416 L417 V420	C275-L279 VanDerWaalsContact O-CA 3.23Å; C275-L279 WeakPolarHBondContact O-CA 3.35Å; C275-L279 PolarHBondContact O-N 3.03Å; L279-Y281 PolarHBondContact O-N 2.75Å; L279-Q416 HydrophobicContact CD1-CB 3.46Å; L279-Q416 VanDerWaalsContact CD1-CB 3.46Å; L279-L417 HydrophobicContact CB-CD2 4.4Å; L279-L417 HydrophobicContact CD1-CD2 4.18Å; L279-L417 HydrophobicContact CD1-CG 4.42Å; L279-V420 HydrophobicContact CD1-CG2 4.24Å; L279-V420 HydrophobicContact CG-CG2 4.27Å
280	A	96.4	Very high	93.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	19%	0.192	C	C	.	.			trans	-51.3	136.8	166.3	0	0	0	0	0	109.9	I274 C275 C278 F315 H458	I274-A280 CarbonylContact C-O 3.58Å; I274-A280 WeakPolarHBondContact CA-O 3.4Å; C275-A280 HydrophobicContact CB-CB 3.95Å; C275-A280 WeakPolarHBondContact CB-O 3.5Å; C275-A280 PolarHBondContact N-O 2.96Å; C278-A280 PolarHBondContact O-N 3.2Å; C278-A280 VanDerWaalsContact SG-CB 3.59Å; A280-F315 HydrophobicContact CB-CE1 4.45Å; A280-H458 VanDerWaalsContact CA-CD2 3.47Å; A280-H458 WeakPolarHBondContact CA-CD2 3.43Å; A280-H458 WeakPolarHBondContact CA-NE2 3.39Å; A280-H458 WeakPolarHBondContact CB-CD2 3.44Å; A280-H458 PolarHBondContact N-CE1 3.19Å; A280-H458 PolarHBondContact N-NE2 3.02Å
281	Y	96.3	Very high	91.5	Very high	33 Å²	33	42.4 Å²	42.4	13%	0.129	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.6	170.9	67.9	-90.3	0	0	0	111	Y273 L279 I283 P409 L410 Y412	Y273-Y281 CarbonylContact O-C 3.6Å; Y273-Y281 WeakPolarHBondContact O-CA 3.4Å; Y273-Y281 WeakPolarHBondContact O-CB 3.19Å; L279-Y281 PolarHBondContact O-N 2.75Å; Y281-I283 HydrophobicContact CD2-CG1 4.41Å; Y281-P409 WeakPolarHBondContact CE2-O 3.17Å; Y281-P409 PolarHBondContact OH-O 3.13Å; Y281-L410 HydrophobicContact CD2-CD1 4.09Å; Y281-L410 HydrophobicContact CE2-CB 4.11Å; Y281-L410 HydrophobicContact CE2-CD1 4.29Å; Y281-Y412 HydrophobicContact CD1-CD1 4.48Å; Y281-Y412 AromaticContact CD1-CE1 3.74Å; Y281-Y412 HydrophobicContact CD1-CE1 3.74Å; Y281-Y412 HydrophobicContact CE1-CD1 4.17Å; Y281-Y412 AromaticContact CE1-CE1 3.53Å; Y281-Y412 HydrophobicContact CE1-CE1 3.53Å; Y281-Y412 HydrophobicContact CE1-CE2 4Å; Y281-Y412 AromaticContact CE1-CZ 3.43Å; Y281-Y412 VanDerWaalsContact CE1-CZ 3.43Å
282	H	96.8	Very high	89.5	Confident	46 Å²	46	48 Å²	48	21%	0.213	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.1	177.6	-56.4	-90.9	0	0	0	108.5	C272 Y273 P303 I304 F315	C272-H282 CarbonylContact C-O 3.59Å; C272-H282 WeakPolarHBondContact CA-O 3.41Å; Y273-H282 PolarHBondContact N-O 3.25Å; Y273-H282 PolarHBondContact O-N 3.22Å; H282-P303 HydrophobicContact CB-CB 4.32Å; H282-P303 HydrophobicContact CB-CG 4.14Å; H282-I304 HydrophobicContact CB-CG2 4.38Å; H282-F315 AromaticContact CD2-CE1 3.72Å; H282-F315 AromaticContact CD2-CZ 3.84Å; H282-F315 AromaticContact NE2-CZ 3.96Å
283	I	97.1	Very high	87.3	Confident	35 Å²	35	50.4 Å²	50.4	18%	0.179	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.7	179.9	-58.7	-177.8	0	0	0	107.3	I271 Y281 P285 I323 P409	I271-I283 WeakPolarHBondContact O-CA 3.27Å; Y281-I283 HydrophobicContact CD2-CG1 4.41Å; I283-P285 WeakPolarHBondContact O-CD 3.32Å; I283-I323 HydrophobicContact CG2-CD1 4.42Å; I283-I323 HydrophobicContact CG2-CG2 3.66Å; I283-P409 HydrophobicContact CD1-CB 3.56Å; I283-P409 HydrophobicContact CD1-CG 3.86Å
284	Q	97	Very high	85.7	Confident	22 Å²	22	54.4 Å²	54.4	10%	0.103	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	102.8	168.4	176.2	64.7	63.8	0	0	108	G270 I271 Y273 H300 P303	G270-Q284 CarbonylContact C-O 3.59Å; G270-Q284 WeakPolarHBondContact CA-O 3.38Å; I271-Q284 HydrophobicContact CD1-CB 4.28Å; I271-Q284 HydrophobicContact CD1-CG 4.45Å; I271-Q284 HydrophobicContact CG1-CB 3.71Å; I271-Q284 HydrophobicContact CG1-CG 4.25Å; I271-Q284 PolarHBondContact N-O 2.93Å; I271-Q284 PolarHBondContact O-N 2.81Å; Y273-Q284 HydrophobicContact CE2-CB 4.1Å; Q284-H300 PolarHBondContact NE2-O 3.43Å; Q284-H300 PolarHBondContact OE1-O 3.3Å; Q284-P303 HydrophobicContact CB-CG 4.02Å
285	P	96.6	Very high	84.4	Confident	43 Å²	43	57.3 Å²	57.3	28%	0.279	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	150.3	166	-21	33.4	0	0	0	110.5	I283 A299 I323	I283-P285 WeakPolarHBondContact O-CD 3.32Å; P285-A299 HydrophobicContact CB-CB 4.39Å; P285-A299 VanDerWaalsContact O-CB 3.31Å; P285-A299 WeakPolarHBondContact O-CB 3.25Å; P285-I323 HydrophobicContact CB-CD1 3.73Å; P285-I323 HydrophobicContact CG-CD1 3.8Å
286	F	95.5	Very high	83.6	Confident	100 Å²	100	58.5 Å²	58.5	44%	0.439	33%	0.328	S	S	.	.	S	Bend	trans	-79.8	-25.4	172.3	-68.6	-29.9	0	0	0	113.2	A266 H269 I271 A299 P320	A266-F286 HydrophobicContact CB-CB 4.36Å; H269-F286 HydrophobicContact CB-CD2 3.88Å; H269-F286 HydrophobicContact CB-CE2 4.33Å; H269-F286 PolarHBondContact O-N 2.89Å; I271-F286 HydrophobicContact CG1-CE1 4.43Å; I271-F286 HydrophobicContact CG2-CE1 3.67Å; I271-F286 HydrophobicContact CG2-CZ 3.67Å; F286-A299 PolarHBondContact O-N 3.38Å; F286-P320 HydrophobicContact CE2-CB 3.75Å; F286-P320 HydrophobicContact CE2-CG 4.28Å; F286-P320 HydrophobicContact CZ-CB 3.98Å
287	G	93.3	Very high	83.4	Confident	3 Å²	3	58.7 Å²	58.7	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	164	177.8	0	0	0	0	0	113.5	A266 A267 V296 T297	A266-G287 PolarHBondContact O-N 3.12Å; A267-G287 VanDerWaalsContact CA-O 3.24Å; A267-G287 WeakPolarHBondContact CA-O 3.46Å; A267-G287 WeakPolarHBondContact CB-O 3.38Å; G287-V296 VanDerWaalsContact CA-CG1 3.4Å; G287-T297 CarbonylContact C-O 3.51Å; G287-T297 WeakPolarHBondContact CA-O 3.45Å
288	E	88	Confident	83.2	Confident	109 Å²	109	62.1 Å²	62.1	51%	0.509	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.2	175.2	-171	171.3	-175.4	0	0	109.4	V290 V296 T297	E288-V290 PolarHBondContact O-N 2.77Å; E288-V296 WeakPolarHBondContact O-CA 3.26Å; E288-V296 WeakPolarHBondContact O-CG1 3.18Å; E288-T297 PolarHBondContact N-O 3.22Å; E288-T297 PolarHBondContact O-N 2.78Å; E288-T297 VanDerWaalsContact O-N 3.13Å
289	A	75.5	Confident	83.1	Confident	63 Å²	63	63.3 Å²	63.3	52%	0.521	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120	175.2	0	0	0	0	0	109	A267 N291	A267-A289 HydrophobicContact CB-CB 4.5Å; A289-N291 PolarHBondContact O-N 3.25Å
290	V	68.7	Low	83	Confident	59 Å²	59	69.9 Å²	69.9	36%	0.358	39%	0.394	S	S	.	.			trans	-77.2	117.9	176.4	-175.8	0	0	0	0	108.2	E288 T292 S293 V295 T297	E288-V290 PolarHBondContact O-N 2.77Å; V290-T292 PolarHBondContact O-N 3.09Å; V290-T292 VanDerWaalsContact O-N 3.09Å; V290-S293 PolarHBondContact O-N 3.21Å; V290-V295 PolarHBondContact N-O 3.14Å; V290-T297 HydrophobicContact CG2-CG2 3.63Å
291	N	54.2	Low	82.8	Confident	151 Å²	151	72.4 Å²	72.4	81%	0.807	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.9	120.8	174.3	-76.1	-26.8	0	0	0	109.2	A289	A289-N291 PolarHBondContact O-N 3.25Å
292	T	55.7	Low	82.7	Confident	157 Å²	157	75.6 Å²	75.6	96%	0.963	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-16.5	-178.8	74.8	0	0	0	0	119	V290	V290-T292 PolarHBondContact O-N 3.09Å; V290-T292 VanDerWaalsContact O-N 3.09Å
293	S	50.4	Low	82.5	Confident	51 Å²	51	75.8 Å²	75.8	36%	0.357	45%	0.45	S	S	.	.			trans	-113.6	139.4	179.1	80.3	0	0	0	0	111.9	V290 V295	V290-S293 PolarHBondContact O-N 3.21Å; S293-V295 PolarHBondContact O-N 2.86Å; S293-V295 PolarHBondContact OG-O 3.09Å
294	K	64.7	Low	82.4	Confident	134 Å²	134	75.2 Å²	75.2	58%	0.583	45%	0.448	S	S	*	.	S	Bend	trans	-72.9	31.4	169.5	-60.9	176.8	177.1	175.2	0	111.7	I260	I260-K294 HydrophobicContact CB-CD 4.28Å; I260-K294 HydrophobicContact CG2-CB 3.46Å; I260-K294 VanDerWaalsContact CG2-CB 3.46Å; I260-K294 HydrophobicContact CG2-CD 3.47Å; I260-K294 VanDerWaalsContact CG2-CD 3.47Å; I260-K294 HydrophobicContact CG2-CG 4.09Å
295	V	68.3	Low	82.2	Confident	82 Å²	82	76 Å²	76	50%	0.497	46%	0.461	S	S	.	.			trans	-122.6	144.6	-177.8	-174.6	0	0	0	0	107.5	V290 S293	V290-V295 PolarHBondContact N-O 3.14Å; S293-V295 PolarHBondContact O-N 2.86Å; S293-V295 PolarHBondContact OG-O 3.09Å
296	V	81	Confident	81.9	Confident	26 Å²	26	79.7 Å²	79.7	16%	0.158	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.4	-179.9	160.7	0	0	0	0	109	A264 A266 A267 G287 E288	A264-V296 VanDerWaalsContact CA-CG2 3.43Å; A264-V296 HydrophobicContact CB-CG2 3.82Å; A264-V296 WeakPolarHBondContact O-CG2 3.32Å; A266-V296 HydrophobicContact CB-CG1 4Å; A267-V296 HydrophobicContact CB-CG2 3.98Å; G287-V296 VanDerWaalsContact CA-CG1 3.4Å; E288-V296 WeakPolarHBondContact O-CA 3.26Å; E288-V296 WeakPolarHBondContact O-CG1 3.18Å
297	T	88.6	Confident	81.9	Confident	73 Å²	73	80.1 Å²	80.1	45%	0.448	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	159.9	168.1	47.2	0	0	0	0	109.8	G287 E288 V290 A299	G287-T297 CarbonylContact C-O 3.51Å; G287-T297 WeakPolarHBondContact CA-O 3.45Å; E288-T297 PolarHBondContact N-O 3.22Å; E288-T297 PolarHBondContact O-N 2.78Å; E288-T297 VanDerWaalsContact O-N 3.13Å; V290-T297 HydrophobicContact CG2-CG2 3.63Å; T297-A299 PolarHBondContact O-N 3.34Å
298	A	92.1	Very high	82	Confident	84 Å²	84	80.1 Å²	80.1	69%	0.694	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	133.9	169.8	0	0	0	0	0	109.6
299	A	93.5	Very high	82.3	Confident	25 Å²	25	79.5 Å²	79.5	21%	0.207	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-72.5	145.6	176.4	0	0	0	0	0	110.6	P285 F286 T297	P285-A299 HydrophobicContact CB-CB 4.39Å; P285-A299 VanDerWaalsContact O-CB 3.31Å; P285-A299 WeakPolarHBondContact O-CB 3.25Å; F286-A299 PolarHBondContact O-N 3.38Å; T297-A299 PolarHBondContact O-N 3.34Å
300	H	93.7	Very high	83.2	Confident	170 Å²	170	76.9 Å²	76.9	79%	0.787	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-70.3	144.2	170.9	-70.4	-81.5	0	0	0	110.9	Q284	Q284-H300 PolarHBondContact NE2-O 3.43Å; Q284-H300 PolarHBondContact OE1-O 3.3Å
301	G	92.4	Very high	84.5	Confident	55 Å²	55	74.5 Å²	74.5	57%	0.567	45%	0.45	S	S	*	.			trans	-159.5	179.1	178.2	0	0	0	0	0	111.8
302	P	93.4	Very high	86.4	Confident	99 Å²	99	68 Å²	68	64%	0.643	42%	0.419	S	S	*	.			cis	-75.6	159.8	-4	32.7	-36	0	0	0	112.6	I304	P302-I304 VanDerWaalsContact C-N 3.27Å; P302-I304 PolarHBondContact O-N 3.09Å
303	P	93.9	Very high	88.3	Confident	51 Å²	51	60.8 Å²	60.8	33%	0.331	38%	0.375	S	S	.	.	S	Bend	trans	-80.5	-13.4	-179.1	36	-33.6	0	0	0	112.2	Y273 H282 Q284	Y273-P303 HydrophobicContact CD2-CG 4.03Å; Y273-P303 HydrophobicContact CE2-CG 4.04Å; H282-P303 HydrophobicContact CB-CB 4.32Å; H282-P303 HydrophobicContact CB-CG 4.14Å; Q284-P303 HydrophobicContact CB-CG 4.02Å
304	I	94.4	Very high	90.5	Very high	23 Å²	23	66 Å²	66	12%	0.118	39%	0.391	C	S	.	.	S	Bend	trans	-156.3	153.8	-177.2	-164.4	59.4	0	0	0	110.1	Y273 H282 P302 I309 F315	Y273-I304 HydrophobicContact CD1-CG2 4.31Å; Y273-I304 HydrophobicContact CG-CG2 4.13Å; H282-I304 HydrophobicContact CB-CG2 4.38Å; P302-I304 VanDerWaalsContact C-N 3.27Å; P302-I304 PolarHBondContact O-N 3.09Å; I304-I309 HydrophobicContact CD1-CG1 4.41Å; I304-I309 HydrophobicContact CD1-CG2 4.09Å; I304-F315 HydrophobicContact CG1-CE2 3.62Å; I304-F315 HydrophobicContact CG1-CZ 3.73Å; I304-F315 HydrophobicContact CG2-CD2 4.32Å; I304-F315 HydrophobicContact CG2-CE2 4.04Å; I304-F315 HydrophobicContact CG2-CZ 4.31Å
305	G	93	Very high	92	Very high	38 Å²	38	60.9 Å²	60.9	39%	0.392	37%	0.369	S	S	.	.			trans	-74.9	-175.4	174.1	0	0	0	0	0	114	Q307	G305-Q307 PolarHBondContact O-N 3.49Å
306	P	89.8	Confident	93.3	Very high	120 Å²	120	62 Å²	62	78%	0.779	37%	0.368	S	S	*	.	S	Bend	trans	-67.8	-16.9	-176.1	27.7	-35.7	0	0	0	114.3
307	Q	94.9	Very high	94	Very high	110 Å²	110	64.1 Å²	64.1	51%	0.514	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-128.1	146.7	-179.8	-64.8	-179.3	8.1	0	0	110.7	G305 I309	G305-Q307 PolarHBondContact O-N 3.49Å; Q307-I309 PolarHBondContact O-N 3.31Å
308	C	96.1	Very high	94.5	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.014	36%	0.361	C	S	.	.			trans	-65.9	123.7	176.4	-179.8	0	0	0	0	110.8	C275 C278 E310 C311 G312 S313 F315	C275-C308 HydrophobicContact CB-CB 4.19Å; C278-C308 PolarHBondContact SG-SG 3.01Å; C308-E310 PolarHBondContact O-N 3.02Å; C308-E310 PolarHBondContact SG-N 3.07Å; C308-C311 PolarHBondContact O-N 3.34Å; C308-G312 WeakPolarHBondContact O-CA 2.98Å; C308-G312 PolarHBondContact O-N 3.2Å; C308-S313 WeakPolarHBondContact CB-O 3.41Å; C308-S313 PolarHBondContact N-O 2.87Å; C308-F315 HydrophobicContact CB-CE1 4.36Å; C308-F315 HydrophobicContact CB-CE2 3.75Å; C308-F315 HydrophobicContact CB-CZ 3.59Å; C308-F315 VanDerWaalsContact N-CE2 3.34Å
309	I	94.1	Very high	94.8	Very high	96 Å²	96	57.1 Å²	57.1	49%	0.492	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.4	178.3	57.8	169	0	0	0	112.6	I304 Q307 R547	I304-I309 HydrophobicContact CD1-CG1 4.41Å; I304-I309 HydrophobicContact CD1-CG2 4.09Å; Q307-I309 PolarHBondContact O-N 3.31Å; I309-R547 PolarHBondContact O-NH2 2.95Å
310	E	94.7	Very high	95	Very high	9 Å²	9	57.1 Å²	57.1	4%	0.042	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-50.2	-178.7	-57	-56	129.3	0	0	112.4	C308 L462 L544 R547	C308-E310 PolarHBondContact O-N 3.02Å; C308-E310 PolarHBondContact SG-N 3.07Å; E310-L462 HydrophobicContact CB-CD1 3.84Å; E310-L462 HydrophobicContact CG-CD1 3.74Å; E310-L544 HydrophobicContact CB-CD2 4.04Å; E310-R547 IonicContact OE1-NH1 3.74Å; E310-R547 PolarHBondContact OE1-NH1 3.27Å; E310-R547 IonicContact OE2-CZ 3.88Å; E310-R547 IonicContact OE2-NH1 2.66Å; E310-R547 PolarHBondContact OE2-NH1 3.05Å
311	C	95.2	Very high	95.2	Very high	8 Å²	8	49 Å²	49	5%	0.054	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-5.8	-171.2	73.5	0	0	0	0	115.7	C275 C278 C308 S313 V540 R543 L544	C275-C311 PolarHBondContact SG-SG 3.29Å; C278-C311 HydrophobicContact CB-CB 4.18Å; C278-C311 VanDerWaalsContact SG-SG 3.64Å; C308-C311 PolarHBondContact O-N 3.34Å; C311-S313 VanDerWaalsContact C-N 3.27Å; C311-S313 PolarHBondContact O-N 3.27Å; C311-S313 PolarHBondContact SG-OG 3.43Å; C311-V540 HydrophobicContact CB-CB 4.34Å; C311-V540 HydrophobicContact CB-CG1 3.79Å; C311-V540 HydrophobicContact CB-CG2 4.1Å; C311-R543 WeakPolarHBondContact O-CD 3.43Å; C311-L544 HydrophobicContact CB-CD2 4.16Å; C311-L544 HydrophobicContact CB-CG 4.34Å
312	G	94.8	Very high	95.5	Very high	16 Å²	16	46.4 Å²	46.4	17%	0.165	26%	0.264	C	S	.	.			trans	78.2	-1.5	-179.6	0	0	0	0	0	115.7	C308	C308-G312 WeakPolarHBondContact O-CA 2.98Å; C308-G312 PolarHBondContact O-N 3.2Å
313	S	96.2	Very high	95.7	Very high	4 Å²	4	43 Å²	43	3%	0.028	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-69.3	152.4	177.2	-54.1	0	0	0	0	111.3	C308 C311 H536	C308-S313 WeakPolarHBondContact CB-O 3.41Å; C308-S313 PolarHBondContact N-O 2.87Å; C311-S313 VanDerWaalsContact C-N 3.27Å; C311-S313 PolarHBondContact O-N 3.27Å; C311-S313 PolarHBondContact SG-OG 3.43Å; S313-H536 PolarHBondContact OG-CE1 2.87Å; S313-H536 PolarHBondContact OG-NE2 2.87Å
314	K	95.4	Very high	95.8	Very high	161 Å²	161	41 Å²	41	70%	0.7	23%	0.229	S	C	*	.	B	Isolated β-bridge	trans	-74.3	145.1	171.6	-63.9	-177.9	-179.9	-179.4	0	110.6	P276	P276-K314 WeakPolarHBondContact CD-O 3.23Å
315	F	96.2	Very high	96	Very high	26 Å²	26	42.8 Å²	42.8	11%	0.114	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-81.4	145.1	177.4	-69.8	-89.5	0	0	0	112.1	Y273 I274 C275 A280 H282 I304 C308	Y273-F315 HydrophobicContact CD1-CB 4.32Å; I274-F315 VanDerWaalsContact C-CD1 3.45Å; I274-F315 WeakPolarHBondContact O-CA 3.39Å; C275-F315 HydrophobicContact CB-CD1 3.86Å; C275-F315 HydrophobicContact CB-CE1 3.59Å; C275-F315 HydrophobicContact CB-CZ 4.3Å; A280-F315 HydrophobicContact CB-CE1 4.45Å; H282-F315 AromaticContact CD2-CE1 3.72Å; H282-F315 AromaticContact CD2-CZ 3.84Å; H282-F315 AromaticContact NE2-CZ 3.96Å; I304-F315 HydrophobicContact CG1-CE2 3.62Å; I304-F315 HydrophobicContact CG1-CZ 3.73Å; I304-F315 HydrophobicContact CG2-CD2 4.32Å; I304-F315 HydrophobicContact CG2-CE2 4.04Å; I304-F315 HydrophobicContact CG2-CZ 4.31Å; C308-F315 HydrophobicContact CB-CE1 4.36Å; C308-F315 HydrophobicContact CB-CE2 3.75Å; C308-F315 HydrophobicContact CB-CZ 3.59Å; C308-F315 VanDerWaalsContact N-CE2 3.34Å
316	H	95.9	Very high	96.2	Very high	106 Å²	106	41.2 Å²	41.2	49%	0.491	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	146.2	157.2	-65.3	163	0	0	0	109.5	I209 Y273 I274	I209-H316 HydrophobicContact CD1-CB 3.81Å; Y273-H316 CarbonylContact C-O 3.58Å; Y273-H316 WeakPolarHBondContact CA-O 3.37Å; I274-H316 HydrophobicContact CG2-CB 4.04Å; I274-H316 PolarHBondContact N-O 3.4Å; I274-H316 PolarHBondContact O-N 2.83Å
317	V	96.6	Very high	96.6	Very high	71 Å²	71	36.3 Å²	36.3	43%	0.43	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.6	177.2	-175.9	0	0	0	0	109.4	M207 C272 Y273	M207-V317 WeakPolarHBondContact CE-O 3.41Å; C272-V317 CarbonylContact O-C 3.57Å; C272-V317 VanDerWaalsContact O-CA 3.32Å; C272-V317 WeakPolarHBondContact O-CA 3.48Å; Y273-V317 HydrophobicContact CD1-CG2 3.81Å; Y273-V317 HydrophobicContact CE1-CG2 3.79Å
318	F	97.8	Very high	96.7	Very high	3 Å²	3	32 Å²	32	1%	0.013	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	171.5	175.9	76.6	-86.5	0	0	0	112	M207 I209 T211 V217 C272 I274 I321 L410	M207-F318 HydrophobicContact CE-CB 4.36Å; M207-F318 WeakPolarHBondContact O-CB 3.49Å; I209-F318 HydrophobicContact CB-CB 4.42Å; I209-F318 HydrophobicContact CD1-CB 3.89Å; I209-F318 HydrophobicContact CD1-CD1 3.73Å; I209-F318 HydrophobicContact CD1-CG 4.05Å; I209-F318 HydrophobicContact CG1-CB 3.76Å; I209-F318 HydrophobicContact CG1-CD1 3.88Å; I209-F318 HydrophobicContact CG1-CG 3.82Å; I209-F318 HydrophobicContact CG2-CB 3.96Å; T211-F318 HydrophobicContact CG2-CE1 4.19Å; T211-F318 HydrophobicContact CG2-CZ 4.38Å; V217-F318 HydrophobicContact CG1-CD2 4.27Å; V217-F318 HydrophobicContact CG1-CE2 3.89Å; V217-F318 HydrophobicContact CG2-CE2 3.81Å; V217-F318 HydrophobicContact CG2-CZ 4.07Å; C272-F318 HydrophobicContact CB-CD1 3.65Å; C272-F318 HydrophobicContact CB-CD2 4.21Å; C272-F318 HydrophobicContact CB-CE1 3.2Å; C272-F318 HydrophobicContact CB-CE2 3.8Å; C272-F318 HydrophobicContact CB-CG 4.14Å; C272-F318 HydrophobicContact CB-CZ 3.28Å; C272-F318 PolarHBondContact N-O 2.91Å; C272-F318 PolarHBondContact O-N 2.86Å; I274-F318 HydrophobicContact CB-CE1 4.16Å; I274-F318 HydrophobicContact CG2-CD1 4Å; I274-F318 HydrophobicContact CG2-CE1 3.88Å; F318-I321 HydrophobicContact CD2-CG2 4.22Å; F318-I321 HydrophobicContact CE2-CD1 4.4Å; F318-I321 HydrophobicContact CE2-CG2 4.06Å; F318-L410 HydrophobicContact CZ-CD1 4.16Å
319	G	98.2	Very high	96.7	Very high	6 Å²	6	35.8 Å²	35.8	6%	0.062	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.5	-160.8	-172.6	0	0	0	0	0	113.4	M207	M207-G319 PolarHBondContact N-O 3.43Å; M207-G319 PolarHBondContact O-N 3.05Å
320	P	98.2	Very high	96.8	Very high	25 Å²	25	35.9 Å²	35.9	16%	0.162	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-62.3	148.3	-2	27.5	-35.7	0	0	0	112.2	G205 G270 F286	G205-P320 WeakPolarHBondContact O-CD 3.22Å; G205-P320 WeakPolarHBondContact O-CG 3.46Å; G270-P320 CarbonylContact O-C 3.31Å; G270-P320 VanDerWaalsContact O-CA 3.3Å; G270-P320 WeakPolarHBondContact O-CA 3.45Å; F286-P320 HydrophobicContact CE2-CB 3.75Å; F286-P320 HydrophobicContact CE2-CG 4.28Å; F286-P320 HydrophobicContact CZ-CB 3.98Å
321	I	98.5	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	158.7	174.1	71	174.1	0	0	0	110.2	R220 I221 H269 G270 C272 F318 I323 L410	R220-I321 HydrophobicContact CB-CB 3.94Å; R220-I321 HydrophobicContact CB-CD1 4.34Å; R220-I321 HydrophobicContact CB-CG1 4.47Å; I221-I321 HydrophobicContact CD1-CG2 3.69Å; I221-I321 HydrophobicContact CG1-CG2 4.04Å; H269-I321 WeakPolarHBondContact CA-O 3.43Å; G270-I321 PolarHBondContact N-O 2.78Å; G270-I321 VanDerWaalsContact N-O 3.1Å; G270-I321 PolarHBondContact O-N 2.84Å; C272-I321 WeakPolarHBondContact SG-CD1 3.48Å; F318-I321 HydrophobicContact CD2-CG2 4.22Å; F318-I321 HydrophobicContact CE2-CD1 4.4Å; F318-I321 HydrophobicContact CE2-CG2 4.06Å; I321-I323 HydrophobicContact CD1-CG2 4.46Å; I321-I323 HydrophobicContact CG1-CG2 3.86Å; I321-I323 PolarHBondContact O-N 2.72Å; I321-L410 HydrophobicContact CD1-CD2 4.28Å
322	W	98.6	Very high	97.1	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	117.7	166.1	176.1	-95.1	0	0	0	110.2	R220 L223 Q227 I237 P239 K268 G324 P325	R220-W322 HydrophobicContact CB-CB 4.31Å; R220-W322 WeakPolarHBondContact CB-O 3.33Å; R220-W322 VanDerWaalsContact CD-O 3.27Å; R220-W322 WeakPolarHBondContact CD-O 3.5Å; R220-W322 VanDerWaalsContact CG-O 3.26Å; R220-W322 WeakPolarHBondContact CG-O 3.37Å; R220-W322 PolarHBondContact NH1-O 2.86Å; R220-W322 VanDerWaalsContact O-CB 3.29Å; R220-W322 WeakPolarHBondContact O-CB 3.4Å; R220-W322 PolarHBondContact O-N 3.07Å; R220-W322 VanDerWaalsContact O-N 3.08Å; L223-W322 HydrophobicContact CB-CB 3.68Å; L223-W322 HydrophobicContact CB-CD2 4.27Å; L223-W322 HydrophobicContact CB-CG 3.77Å; L223-W322 HydrophobicContact CD1-CG 4.15Å; Q227-W322 HydrophobicContact CB-CE3 4.24Å; Q227-W322 HydrophobicContact CB-CZ3 4.04Å; Q227-W322 HydrophobicContact CG-CE3 4.46Å; Q227-W322 HydrophobicContact CG-CZ3 3.94Å; I237-W322 HydrophobicContact CD1-CH2 4.49Å; I237-W322 HydrophobicContact CD1-CZ3 4.31Å; I237-W322 HydrophobicContact CG1-CH2 4.01Å; I237-W322 HydrophobicContact CG1-CZ3 4.06Å; P239-W322 HydrophobicContact CG-CZ2 3.8Å; K268-W322 HydrophobicContact CB-CE3 4.05Å; K268-W322 HydrophobicContact CB-CH2 4.23Å; K268-W322 HydrophobicContact CB-CZ3 3.88Å; K268-W322 HydrophobicContact CD-CH2 3.39Å; K268-W322 HydrophobicContact CD-CZ2 3.88Å; K268-W322 HydrophobicContact CD-CZ3 3.83Å; K268-W322 HydrophobicContact CG-CH2 4.44Å; K268-W322 CarbonylContact O-C 3.45Å; K268-W322 WeakPolarHBondContact O-CA 3.43Å; W322-G324 PolarHBondContact NE1-O 3.45Å; W322-P325 PolarHBondContact NE1-O 3.18Å
323	I	97.7	Very high	97.3	Very high	27 Å²	27	38.2 Å²	38.2	14%	0.138	20%	0.198	C	C	.	.			trans	-102.5	-2.2	179.5	62	168.4	0	0	0	112.8	A267 K268 I283 P285 I321 P409	A267-I323 WeakPolarHBondContact O-CD1 3.26Å; K268-I323 WeakPolarHBondContact O-CG1 3.43Å; K268-I323 PolarHBondContact O-N 3.07Å; I283-I323 HydrophobicContact CG2-CD1 4.42Å; I283-I323 HydrophobicContact CG2-CG2 3.66Å; P285-I323 HydrophobicContact CB-CD1 3.73Å; P285-I323 HydrophobicContact CG-CD1 3.8Å; I321-I323 HydrophobicContact CD1-CG2 4.46Å; I321-I323 HydrophobicContact CG1-CG2 3.86Å; I321-I323 PolarHBondContact O-N 2.72Å; I323-P409 HydrophobicContact CB-CG 4.47Å
324	G	96.2	Very high	97.3	Very high	9 Å²	9	40.6 Å²	40.6	9%	0.093	21%	0.209	C	C	.	.	S	Bend	trans	-71.7	-178.5	171.2	0	0	0	0	0	113.5	R220 W322	R220-G324 PolarHBondContact NH1-O 2.9Å; W322-G324 PolarHBondContact NE1-O 3.45Å
325	P	97.4	Very high	97.5	Very high	61 Å²	61	33 Å²	33	40%	0.396	18%	0.176	S	C	.	.			trans	-59.1	142.7	175.1	-24.2	34.6	0	0	0	112	W322	W322-P325 PolarHBondContact NE1-O 3.18Å
326	L	98.2	Very high	97.5	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	17%	0.171	C	C	.	.	S	Bend	trans	-80.1	-24.8	173.8	-68.5	177.1	0	0	0	112.5	E216 L219 R220 L223 P239 S242	E216-L326 HydrophobicContact CG-CD1 3.93Å; L219-L326 HydrophobicContact CB-CD2 4.22Å; L219-L326 HydrophobicContact CD1-CD1 4.49Å; R220-L326 HydrophobicContact CG-CD2 3.78Å; L223-L326 HydrophobicContact CD1-CD2 3.64Å; P239-L326 VanDerWaalsContact CB-O 3.25Å; P239-L326 WeakPolarHBondContact CB-O 3.36Å; S242-L326 VanDerWaalsContact CB-O 3.3Å; S242-L326 WeakPolarHBondContact CB-O 3.39Å; S242-L326 PolarHBondContact OG-O 3.43Å
327	H	98	Very high	97.5	Very high	16 Å²	16	28.6 Å²	28.6	7%	0.074	16%	0.16	C	C	.	.	S	Bend	trans	-144	157.4	-171.5	-38.8	-75.5	0	0	0	110.4	P239 L240 L241 S242 L332 H446	P239-H327 CarbonylContact O-C 3.53Å; L240-H327 WeakPolarHBondContact O-CA 3.32Å; L240-H327 WeakPolarHBondContact O-CB 3.33Å; L241-H327 WeakPolarHBondContact CA-ND1 3.17Å; S242-H327 PolarHBondContact N-CE1 2.64Å; S242-H327 VanDerWaalsContact N-CE1 3.31Å; S242-H327 PolarHBondContact N-ND1 3.07Å; S242-H327 PolarHBondContact O-CE1 3.26Å; H327-L332 HydrophobicContact CB-CD1 3.73Å; H327-H446 AromaticContact CE1-CE1 3.61Å; H327-H446 AromaticContact CE1-ND1 3.96Å; H327-H446 AromaticContact CE1-NE2 3.87Å; H327-H446 AromaticContact NE2-CE1 3.23Å; H327-H446 PolarHBondContact NE2-CE1 2.97Å; H327-H446 AromaticContact NE2-ND1 3.31Å; H327-H446 PolarHBondContact NE2-ND1 2.87Å; H327-H446 AromaticContact NE2-NE2 3.92Å
328	S	97.8	Very high	97.5	Very high	21 Å²	21	29.1 Å²	29.1	15%	0.147	16%	0.161	C	C	.	.			trans	-96.4	113.9	173.1	171.3	0	0	0	0	109.8	P239 L240 T330 F331 L332	P239-S328 PolarHBondContact O-N 3.44Å; L240-S328 PolarHBondContact O-N 2.98Å; S328-T330 VanDerWaalsContact C-N 3.3Å; S328-T330 PolarHBondContact O-N 3.33Å; S328-F331 PolarHBondContact O-N 2.97Å; S328-F331 PolarHBondContact OG-N 2.82Å; S328-L332 WeakPolarHBondContact O-CB 3.41Å; S328-L332 WeakPolarHBondContact O-CG 3.45Å; S328-L332 PolarHBondContact O-N 3.13Å
329	R	95.9	Very high	97.3	Very high	80 Å²	80	30 Å²	30	30%	0.302	17%	0.165	S	C	.	.	H	α-helix	trans	-60.5	-39.1	178.6	-80.5	-170.7	169.8	-154.1	-5.4	112.3	L332 H333 Y402 E404	R329-L332 PolarHBondContact O-N 2.77Å; R329-H333 WeakPolarHBondContact O-CB 3.35Å; R329-H333 PolarHBondContact O-N 2.69Å; R329-Y402 HydrophobicContact CB-CE2 4.36Å; R329-Y402 HydrophobicContact CG-CD2 4.43Å; R329-Y402 PolarHBondContact NE-O 3.34Å; R329-Y402 PolarHBondContact NH2-O 3.49Å; R329-E404 PolarHBondContact NH2-O 3.47Å
330	T	96.1	Very high	97.1	Very high	99 Å²	99	31.5 Å²	31.5	61%	0.607	18%	0.181	S	C	*	.	H	α-helix	trans	-63.2	-46.6	177.3	-48.2	0	0	0	0	111	S328 H333 E334	S328-T330 VanDerWaalsContact C-N 3.3Å; S328-T330 PolarHBondContact O-N 3.33Å; T330-H333 PolarHBondContact O-N 3.49Å; T330-E334 PolarHBondContact O-N 3.2Å
331	F	98.3	Very high	96.8	Very high	5 Å²	5	32.3 Å²	32.3	2%	0.022	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-46.7	176	180	-94.5	0	0	0	111.5	V51 Q54 L58 L240 S328 H333 E334 F335	V51-F331 HydrophobicContact CG1-CE1 4.44Å; V51-F331 HydrophobicContact CG1-CZ 4.06Å; Q54-F331 HydrophobicContact CB-CE2 4.06Å; Q54-F331 HydrophobicContact CB-CZ 3.87Å; Q54-F331 HydrophobicContact CG-CD2 4.41Å; Q54-F331 HydrophobicContact CG-CE2 3.67Å; Q54-F331 HydrophobicContact CG-CZ 3.8Å; L58-F331 HydrophobicContact CD2-CD2 4.24Å; L240-F331 HydrophobicContact CB-CD1 3.91Å; L240-F331 HydrophobicContact CB-CE1 4.18Å; L240-F331 HydrophobicContact CB-CG 4.16Å; L240-F331 HydrophobicContact CD1-CD2 4.06Å; L240-F331 HydrophobicContact CD1-CE1 4.48Å; L240-F331 HydrophobicContact CD1-CE2 3.94Å; L240-F331 HydrophobicContact CD1-CG 4.39Å; L240-F331 HydrophobicContact CD1-CZ 4.16Å; L240-F331 HydrophobicContact CD2-CB 4.08Å; L240-F331 HydrophobicContact CD2-CD2 4.13Å; L240-F331 HydrophobicContact CD2-CG 4.01Å; L240-F331 HydrophobicContact CG-CG 4.43Å; S328-F331 PolarHBondContact O-N 2.97Å; S328-F331 PolarHBondContact OG-N 2.82Å; F331-H333 VanDerWaalsContact C-N 3.32Å; F331-H333 PolarHBondContact O-N 2.92Å; F331-E334 PolarHBondContact O-N 3.32Å; F331-F335 HydrophobicContact CE1-CB 4.29Å; F331-F335 HydrophobicContact CE1-CG 4.42Å; F331-F335 WeakPolarHBondContact O-CB 3.5Å; F331-F335 PolarHBondContact O-N 3.41Å
332	L	98	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-34.9	-179.9	-71.3	-178.5	0	0	0	112.9	L241 H327 S328 R329 F335 L336 A398 A401 Y402	L241-L332 HydrophobicContact CB-CD2 4.41Å; L241-L332 HydrophobicContact CD1-CD2 4.06Å; L241-L332 HydrophobicContact CD2-CD2 4.42Å; H327-L332 HydrophobicContact CB-CD1 3.73Å; S328-L332 WeakPolarHBondContact O-CB 3.41Å; S328-L332 WeakPolarHBondContact O-CG 3.45Å; S328-L332 PolarHBondContact O-N 3.13Å; R329-L332 PolarHBondContact O-N 2.77Å; L332-F335 HydrophobicContact CD2-CD1 4.34Å; L332-F335 PolarHBondContact O-N 3.37Å; L332-L336 WeakPolarHBondContact O-CB 3.25Å; L332-L336 WeakPolarHBondContact O-CD1 3.48Å; L332-L336 VanDerWaalsContact O-CG 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.43Å; L332-L336 PolarHBondContact O-N 3.16Å; L332-A398 HydrophobicContact CD2-CB 4.46Å; L332-A401 HydrophobicContact CD1-CB 4.03Å; L332-Y402 HydrophobicContact CB-CD2 4.02Å
333	H	97.4	Very high	96.1	Very high	76 Å²	76	36.9 Å²	36.9	35%	0.352	21%	0.211	S	C	.	.	H	α-helix	trans	-62.6	-51.4	175.5	-177.7	-76.3	0	0	0	111.6	R329 T330 F331 S337 P343 Y402	R329-H333 WeakPolarHBondContact O-CB 3.35Å; R329-H333 PolarHBondContact O-N 2.69Å; T330-H333 PolarHBondContact O-N 3.49Å; F331-H333 VanDerWaalsContact C-N 3.32Å; F331-H333 PolarHBondContact O-N 2.92Å; H333-S337 VanDerWaalsContact O-CB 3.3Å; H333-S337 WeakPolarHBondContact O-CB 3.24Å; H333-S337 PolarHBondContact O-N 2.99Å; H333-S337 PolarHBondContact O-OG 3.04Å; H333-P343 HydrophobicContact CB-CG 4.44Å; H333-Y402 HydrophobicContact CB-CE2 4.06Å
334	E	97.4	Very high	95.5	Very high	55 Å²	55	40.5 Å²	40.5	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-44	176.7	-66.1	-179	-176.6	0	0	110.9	R61 T330 F331 S337 D338	R61-E334 IonicContact CZ-OE1 3.13Å; R61-E334 IonicContact NH1-OE1 3.41Å; R61-E334 IonicContact NH2-OE1 2.77Å; R61-E334 PolarHBondContact NH2-OE1 3.4Å; R61-E334 IonicContact NH2-OE2 3.96Å; T330-E334 PolarHBondContact O-N 3.2Å; F331-E334 PolarHBondContact O-N 3.32Å; E334-S337 PolarHBondContact O-N 3.48Å; E334-D338 WeakPolarHBondContact O-CB 3.38Å; E334-D338 PolarHBondContact O-N 2.9Å
335	F	98.1	Very high	94.1	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-53.9	177.5	-179.8	-119.4	0	0	0	112	L47 A50 V51 Q54 F331 L332 S337 D338 L339 I394 A398	L47-F335 HydrophobicContact CD1-CZ 4.39Å; A50-F335 HydrophobicContact CB-CE2 3.76Å; A50-F335 HydrophobicContact CB-CZ 3.93Å; V51-F335 HydrophobicContact CG2-CE2 4.15Å; V51-F335 HydrophobicContact CG2-CZ 4.03Å; Q54-F335 HydrophobicContact CB-CD2 3.87Å; Q54-F335 HydrophobicContact CG-CB 4.1Å; Q54-F335 HydrophobicContact CG-CD2 4.03Å; F331-F335 HydrophobicContact CE1-CB 4.29Å; F331-F335 HydrophobicContact CE1-CG 4.42Å; F331-F335 WeakPolarHBondContact O-CB 3.5Å; F331-F335 PolarHBondContact O-N 3.41Å; L332-F335 HydrophobicContact CD2-CD1 4.34Å; L332-F335 PolarHBondContact O-N 3.37Å; F335-S337 VanDerWaalsContact C-N 3.34Å; F335-S337 PolarHBondContact O-N 2.96Å; F335-D338 PolarHBondContact O-N 3.44Å; F335-L339 HydrophobicContact CD1-CD1 4.02Å; F335-L339 HydrophobicContact CD2-CD1 4.36Å; F335-L339 HydrophobicContact CE1-CD1 3.62Å; F335-L339 HydrophobicContact CE2-CD1 3.99Å; F335-L339 HydrophobicContact CE2-CD2 4.4Å; F335-L339 HydrophobicContact CE2-CG 4.35Å; F335-L339 HydrophobicContact CG-CD1 4.39Å; F335-L339 HydrophobicContact CZ-CD1 3.62Å; F335-L339 HydrophobicContact CZ-CG 4.45Å; F335-L339 VanDerWaalsContact O-CG 3.27Å; F335-L339 WeakPolarHBondContact O-CG 3.43Å; F335-L339 PolarHBondContact O-N 2.88Å; F335-I394 HydrophobicContact CE1-CG2 4.14Å; F335-I394 HydrophobicContact CZ-CG2 4.01Å; F335-A398 HydrophobicContact CD1-CB 4.16Å; F335-A398 HydrophobicContact CE1-CB 3.96Å
336	L	96.9	Very high	92.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-38.7	179.9	-76.4	168.4	0	0	0	112.1	L332 D338 L339 G340 Y341 P343 I395 A398 Y402	L332-L336 WeakPolarHBondContact O-CB 3.25Å; L332-L336 WeakPolarHBondContact O-CD1 3.48Å; L332-L336 VanDerWaalsContact O-CG 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.43Å; L332-L336 PolarHBondContact O-N 3.16Å; L336-D338 PolarHBondContact O-N 2.77Å; L336-L339 PolarHBondContact O-N 2.73Å; L336-G340 PolarHBondContact O-N 3.29Å; L336-Y341 CarbonylContact C-O 3.54Å; L336-Y341 WeakPolarHBondContact CB-O 3.44Å; L336-Y341 CarbonylContact O-C 3.59Å; L336-Y341 VanDerWaalsContact O-C 3.23Å; L336-Y341 WeakPolarHBondContact O-CA 3.44Å; L336-Y341 PolarHBondContact O-N 2.63Å; L336-P343 HydrophobicContact CB-CG 4.03Å; L336-P343 HydrophobicContact CD1-CG 3.78Å; L336-I395 HydrophobicContact CD2-CG2 4.44Å; L336-A398 HydrophobicContact CD2-CB 3.79Å; L336-A398 HydrophobicContact CG-CB 4.27Å; L336-Y402 HydrophobicContact CD1-CG 4.35Å
337	S	96.8	Very high	89.8	Confident	39 Å²	39	51.3 Å²	51.3	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-45.3	174.6	-58.9	0	0	0	0	111.7	H333 E334 F335 L339 G340	H333-S337 VanDerWaalsContact O-CB 3.3Å; H333-S337 WeakPolarHBondContact O-CB 3.24Å; H333-S337 PolarHBondContact O-N 2.99Å; H333-S337 PolarHBondContact O-OG 3.04Å; E334-S337 PolarHBondContact O-N 3.48Å; F335-S337 VanDerWaalsContact C-N 3.34Å; F335-S337 PolarHBondContact O-N 2.96Å; S337-L339 VanDerWaalsContact C-N 3.32Å; S337-L339 PolarHBondContact O-N 3.12Å; S337-G340 WeakPolarHBondContact O-CA 3.44Å; S337-G340 PolarHBondContact O-N 2.86Å
338	D	95.6	Very high	87.2	Confident	83 Å²	83	51.5 Å²	51.5	44%	0.444	28%	0.281	S	S	.	.	H	α-helix	trans	-68.3	-28.8	178	-83.6	-37.1	0	0	0	113.2	Q54 K57 E334 F335 L336 G340	Q54-D338 VanDerWaalsContact CD-OD2 3.25Å; Q54-D338 PolarHBondContact NE2-OD2 3.28Å; Q54-D338 PolarHBondContact OE1-OD2 3.29Å; K57-D338 IonicContact NZ-OD1 2.86Å; K57-D338 PolarHBondContact NZ-OD1 3.02Å; K57-D338 IonicContact NZ-OD2 2.85Å; K57-D338 PolarHBondContact NZ-OD2 3.48Å; E334-D338 WeakPolarHBondContact O-CB 3.38Å; E334-D338 PolarHBondContact O-N 2.9Å; F335-D338 PolarHBondContact O-N 3.44Å; L336-D338 PolarHBondContact O-N 2.77Å; D338-G340 PolarHBondContact O-N 2.81Å
339	L	94.4	Very high	84.3	Confident	20 Å²	20	54 Å²	54	11%	0.105	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-2.9	169.3	-61.3	176.2	0	0	0	112.8	A50 F335 L336 S337 F391 I394 I395	A50-L339 HydrophobicContact CB-CD2 4.45Å; F335-L339 HydrophobicContact CD1-CD1 4.02Å; F335-L339 HydrophobicContact CD2-CD1 4.36Å; F335-L339 HydrophobicContact CE1-CD1 3.62Å; F335-L339 HydrophobicContact CE2-CD1 3.99Å; F335-L339 HydrophobicContact CE2-CD2 4.4Å; F335-L339 HydrophobicContact CE2-CG 4.35Å; F335-L339 HydrophobicContact CG-CD1 4.39Å; F335-L339 HydrophobicContact CZ-CD1 3.62Å; F335-L339 HydrophobicContact CZ-CG 4.45Å; F335-L339 VanDerWaalsContact O-CG 3.27Å; F335-L339 WeakPolarHBondContact O-CG 3.43Å; F335-L339 PolarHBondContact O-N 2.88Å; L336-L339 PolarHBondContact O-N 2.73Å; S337-L339 VanDerWaalsContact C-N 3.32Å; S337-L339 PolarHBondContact O-N 3.12Å; L339-F391 HydrophobicContact CB-CE1 4.38Å; L339-F391 HydrophobicContact CB-CE2 4.49Å; L339-F391 HydrophobicContact CB-CZ 3.73Å; L339-F391 HydrophobicContact CD2-CE2 3.39Å; L339-F391 HydrophobicContact CD2-CZ 3.48Å; L339-F391 VanDerWaalsContact CD2-CZ 3.48Å; L339-F391 HydrophobicContact CG-CE2 4.37Å; L339-F391 HydrophobicContact CG-CZ 4.1Å; L339-I394 HydrophobicContact CD1-CG2 3.99Å; L339-I395 HydrophobicContact CB-CD1 4.42Å; L339-I395 HydrophobicContact CB-CG1 4.21Å; L339-I395 HydrophobicContact CD1-CG1 4.19Å
340	G	93.1	Very high	81.3	Confident	39 Å²	39	54.8 Å²	54.8	40%	0.402	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	27.1	178.9	0	0	0	0	0	113.7	L336 S337 D338	L336-G340 PolarHBondContact O-N 3.29Å; S337-G340 WeakPolarHBondContact O-CA 3.44Å; S337-G340 PolarHBondContact O-N 2.86Å; D338-G340 PolarHBondContact O-N 2.81Å
341	Y	92	Very high	78	Confident	42 Å²	42	55.6 Å²	55.6	17%	0.165	33%	0.333	C	S	.	.			trans	-136.6	69.8	173.6	-171.4	-97	0	0	0	109.6	L336 I395 T399 D568 L570	L336-Y341 CarbonylContact C-O 3.54Å; L336-Y341 WeakPolarHBondContact CB-O 3.44Å; L336-Y341 CarbonylContact O-C 3.59Å; L336-Y341 VanDerWaalsContact O-C 3.23Å; L336-Y341 WeakPolarHBondContact O-CA 3.44Å; L336-Y341 PolarHBondContact O-N 2.63Å; Y341-I395 HydrophobicContact CD1-CG2 3.62Å; Y341-I395 HydrophobicContact CD2-CG2 4.36Å; Y341-I395 HydrophobicContact CE1-CG2 4.31Å; Y341-I395 HydrophobicContact CG-CG2 3.66Å; Y341-T399 HydrophobicContact CE1-CG2 3.89Å; Y341-T399 WeakPolarHBondContact CE1-OG1 3.38Å; Y341-D568 PolarHBondContact OH-OD2 3.34Å; Y341-L570 HydrophobicContact CE1-CD1 3.71Å; Y341-L570 HydrophobicContact CE2-CD1 4.47Å; Y341-L570 HydrophobicContact CE2-CD2 4.4Å
342	P	92.8	Very high	74.6	Confident	81 Å²	81	60.3 Å²	60.3	53%	0.526	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-59	135.8	179.6	26.1	-34.3	0	0	0	110.3	K344	P342-K344 PolarHBondContact O-N 2.81Å
343	P	90.5	Very high	71.1	Confident	15 Å²	15	65.5 Å²	65.5	10%	0.097	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-61.3	138.5	179.2	-20	30.8	0	0	0	111.8	H333 L336 Y402	H333-P343 HydrophobicContact CB-CG 4.44Å; L336-P343 HydrophobicContact CB-CG 4.03Å; L336-P343 HydrophobicContact CD1-CG 3.78Å; P343-Y402 HydrophobicContact CB-CD1 3.64Å; P343-Y402 HydrophobicContact CB-CE1 3.21Å; P343-Y402 HydrophobicContact CB-CE2 4.26Å; P343-Y402 HydrophobicContact CB-CG 4.31Å; P343-Y402 HydrophobicContact CG-CD1 4.04Å; P343-Y402 HydrophobicContact CG-CD2 4.25Å; P343-Y402 HydrophobicContact CG-CE1 3.89Å; P343-Y402 HydrophobicContact CG-CE2 4.1Å; P343-Y402 HydrophobicContact CG-CG 4.22Å
344	K	85.3	Confident	67.7	Low	104 Å²	104	70 Å²	70	45%	0.452	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-73	141.6	170.1	-66.4	166.6	177.3	170.7	0	108.6	P342 V346 P564 D568	P342-K344 PolarHBondContact O-N 2.81Å; K344-V346 PolarHBondContact O-N 3.17Å; K344-P564 HydrophobicContact CB-CB 4.38Å; K344-P564 HydrophobicContact CD-CB 3.87Å; K344-D568 IonicContact NZ-OD1 3.02Å; K344-D568 PolarHBondContact NZ-OD1 2.74Å; K344-D568 IonicContact NZ-OD2 3.73Å; K344-D568 PolarHBondContact NZ-OD2 2.85Å
345	N	66.2	Low	64.1	Low	142 Å²	142	75.2 Å²	75.2	76%	0.759	46%	0.457	S	S	*	.			trans	-59.1	108.3	174.8	-92.5	-21.8	0	0	0	109.5	N347	N345-N347 PolarHBondContact O-N 3.36Å
346	V	57	Low	60.5	Low	35 Å²	35	78 Å²	78	21%	0.212	49%	0.487	C	S	.	.			trans	-83.9	100.9	169.1	-169.7	0	0	0	0	105.6	K344 N348 E403 P564	K344-V346 PolarHBondContact O-N 3.17Å; V346-N348 HydrophobicContact CG1-CB 4.29Å; V346-N348 VanDerWaalsContact CG1-CG 3.41Å; V346-N348 WeakPolarHBondContact CG1-OD1 3.45Å; V346-N348 PolarHBondContact O-N 3.22Å; V346-E403 HydrophobicContact CG2-CG 4.29Å; V346-P564 HydrophobicContact CG2-CG 4.46Å
347	N	47.5	Very low	57.1	Low	125 Å²	125	86.7 Å²	86.7	67%	0.668	53%	0.527	S	S	*	.			trans	-67.9	65	170	-76.8	-11.8	0	0	0	109.9	N345 G349 L560	N345-N347 PolarHBondContact O-N 3.36Å; N347-G349 PolarHBondContact O-N 2.93Å; N347-L560 WeakPolarHBondContact O-CD1 3.39Å
348	N	44.3	Very low	53.5	Low	20 Å²	20	92.2 Å²	92.2	11%	0.107	55%	0.554	C	S	.	*	S	Bend	trans	-81.1	69.8	168.6	-80.2	-3.6	0	0	0	108.3	V346 T350	V346-N348 HydrophobicContact CG1-CB 4.29Å; V346-N348 VanDerWaalsContact CG1-CG 3.41Å; V346-N348 WeakPolarHBondContact CG1-OD1 3.45Å; V346-N348 PolarHBondContact O-N 3.22Å; N348-T350 PolarHBondContact O-N 3.5Å; N348-T350 PolarHBondContact O-OG1 3.33Å
349	G	36.2	Very low	50.2	Low	72 Å²	72	96.6 Å²	96.6	74%	0.742	57%	0.571	S	S	*	*	S	Bend	trans	54.9	9.4	167.5	0	0	0	0	0	117.6	N347 S351	N347-G349 PolarHBondContact O-N 2.93Å; G349-S351 VanDerWaalsContact C-N 3.3Å; G349-S351 PolarHBondContact O-N 3.46Å; G349-S351 VanDerWaalsContact O-N 3.11Å
350	T	32.4	Very low	46.7	Very low	97 Å²	97	101.1 Å²	101.1	60%	0.595	60%	0.604	S	S	*	*			trans	-92.5	62.6	-173.6	7	0	0	0	0	109.5	N348	N348-T350 PolarHBondContact O-N 3.5Å; N348-T350 PolarHBondContact O-OG1 3.33Å
351	S	27.6	Very low	43.5	Very low	116 Å²	116	104.5 Å²	104.5	81%	0.811	62%	0.622	S	S	*	*			trans	-97.5	10	175.6	-165.2	0	0	0	0	114.3	G349	G349-S351 VanDerWaalsContact C-N 3.3Å; G349-S351 PolarHBondContact O-N 3.46Å; G349-S351 VanDerWaalsContact O-N 3.11Å
352	S	27.3	Very low	40.2	Very low	105 Å²	105	107.1 Å²	107.1	73%	0.734	65%	0.646	S	S	*	*	S	Bend	trans	-121.9	-3.3	-175.7	64.5	0	0	0	0	117.9
353	C	24.2	Very low	36.8	Very low	109 Å²	109	109.7 Å²	109.7	74%	0.736	66%	0.661	S	S	*	*	S	Bend	trans	-120.5	8	-173.8	-61.5	0	0	0	0	116.5
354	L	26.6	Very low	33.5	Very low	169 Å²	169	116.6 Å²	116.6	89%	0.885	69%	0.692	S	S	*	*	S	Bend	trans	-109.9	5.9	173.6	-71.1	176.1	0	0	0	114.5	G356	L354-G356 PolarHBondContact O-N 3.04Å
355	N	22	Very low	30.5	Very low	166 Å²	166	119.8 Å²	119.8	89%	0.888	71%	0.713	S	S	*	*			trans	-99.6	76.7	168.7	-73.6	-7.5	0	0	0	109.4
356	G	22.8	Very low	28.4	Very low	60 Å²	60	119 Å²	119	62%	0.619	71%	0.709	S	S	*	*			trans	-170	77.1	177	0	0	0	0	0	110.7	L354	L354-G356 PolarHBondContact O-N 3.04Å
357	E	25.6	Very low	26.6	Very low	181 Å²	181	123.1 Å²	123.1	85%	0.846	73%	0.734	S	S	*	*			trans	164.8	82.1	142.4	-88.2	168	-166.4	0	0	108.8	H359	E357-H359 PolarHBondContact O-N 2.79Å; E357-H359 VanDerWaalsContact O-N 3.15Å
358	N	20	Very low	25.4	Very low	156 Å²	156	122.6 Å²	122.6	83%	0.834	74%	0.74	S	S	*	*			trans	-64.8	102.7	161	-75.6	-29.1	0	0	0	108.5
359	H	26.6	Very low	24.2	Very low	175 Å²	175	128.5 Å²	128.5	81%	0.81	78%	0.777	S	S	*	*			trans	-111.7	77	151.3	-86.7	-64.3	0	0	0	109	E357 S361	E357-H359 PolarHBondContact O-N 2.79Å; E357-H359 VanDerWaalsContact O-N 3.15Å; H359-S361 PolarHBondContact O-N 3.49Å; H359-S361 VanDerWaalsContact O-N 3.15Å
360	S	20.6	Very low	23.6	Very low	114 Å²	114	128.7 Å²	128.7	80%	0.797	78%	0.779	S	S	*	*			trans	-54.4	105.9	151.7	27.4	0	0	0	0	109.1
361	S	26.2	Very low	23	Very low	110 Å²	110	129.7 Å²	129.7	77%	0.769	79%	0.79	S	S	*	*			trans	-126.2	107.2	148.8	52.7	0	0	0	0	107.3	H359	H359-S361 PolarHBondContact O-N 3.49Å; H359-S361 VanDerWaalsContact O-N 3.15Å
362	S	21.6	Very low	22.8	Very low	98 Å²	98	131 Å²	131	69%	0.685	79%	0.788	S	S	*	*			trans	-60.9	126.1	175.3	-174.4	0	0	0	0	109.7
363	T	23.4	Very low	22.7	Very low	135 Å²	135	136 Å²	136	83%	0.828	80%	0.796	S	S	*	*			trans	-135.4	92	145.4	11.1	0	0	0	0	107.1	L365	T363-L365 PolarHBondContact O-N 3.17Å
364	Q	20.3	Very low	22.6	Very low	160 Å²	160	135.3 Å²	135.3	75%	0.748	79%	0.792	S	S	*	*			trans	-50.9	127.4	158.1	-69.7	174.1	-19.4	0	0	108.3
365	L	22.5	Very low	22.5	Very low	171 Å²	171	136.5 Å²	136.5	90%	0.895	79%	0.79	S	S	*	*			trans	-127.1	120.1	156.7	-124.3	125.6	0	0	0	107.2	T363	T363-L365 PolarHBondContact O-N 3.17Å
366	D	20.8	Very low	22.6	Very low	126 Å²	126	134.4 Å²	134.4	67%	0.674	78%	0.783	S	S	*	*			trans	-68.7	153.7	-166.8	-71.3	-51.6	0	0	0	113.9
367	T	19.5	Very low	22.6	Very low	121 Å²	121	139.8 Å²	139.8	74%	0.742	79%	0.792	S	S	*	*			trans	25.4	124.5	140.9	65.3	0	0	0	0	118.4
368	S	22	Very low	22.6	Very low	114 Å²	114	136.7 Å²	136.7	80%	0.797	79%	0.785	S	S	*	*				165.3	150.6	91.8	50.1	0	0	0	0	111.8
369	T	20	Very low	22.8	Very low	144 Å²	144	133.4 Å²	133.4	88%	0.883	78%	0.775	S	S	*	*			trans	-50.9	123.6	178	46.2	0	0	0	0	113.8
370	G	23.2	Very low	22.8	Very low	75 Å²	75	130 Å²	130	77%	0.773	77%	0.766	S	S	*	*			trans	-145.1	94.9	167.7	0	0	0	0	0	109.3	D372	G370-D372 PolarHBondContact O-N 2.91Å
371	S	20.1	Very low	23.1	Very low	118 Å²	118	132.4 Å²	132.4	83%	0.825	77%	0.765	S	S	*	*			trans	-66	105.9	167.3	50.8	0	0	0	0	109.3
372	D	23.8	Very low	23.3	Very low	145 Å²	145	133.9 Å²	133.9	78%	0.775	76%	0.764	S	S	*	*			trans	-150.6	114	149.3	-116.9	-25.4	0	0	0	110.5	G370 S374	G370-D372 PolarHBondContact O-N 2.91Å; D372-S374 PolarHBondContact O-N 2.88Å
373	K	24.3	Very low	23.9	Very low	210 Å²	210	134.9 Å²	134.9	91%	0.913	76%	0.761	S	S	*	*			trans	-75.8	63.5	177.8	-74.7	179.1	176.5	172.6	0	109.5	K375	K373-K375 VanDerWaalsContact C-N 3.34Å; K373-K375 PolarHBondContact O-N 3.27Å; K373-K375 VanDerWaalsContact O-N 3.16Å
374	S	22.6	Very low	24.5	Very low	93 Å²	93	133.6 Å²	133.6	65%	0.65	75%	0.753	S	S	*	*			trans	-83.3	85.8	165.7	-56.2	0	0	0	0	107.4	D372 V376	D372-S374 PolarHBondContact O-N 2.88Å; S374-V376 VanDerWaalsContact C-N 3.27Å; S374-V376 PolarHBondContact O-N 3.2Å
375	K	24.8	Very low	25.5	Very low	194 Å²	194	129.4 Å²	129.4	84%	0.843	74%	0.736	S	S	*	*			trans	-55.5	97.7	164.9	-79.8	179.9	177.1	176.9	0	107.1	K373 H377	K373-K375 VanDerWaalsContact C-N 3.34Å; K373-K375 PolarHBondContact O-N 3.27Å; K373-K375 VanDerWaalsContact O-N 3.16Å; K375-H377 VanDerWaalsContact C-N 3.34Å; K375-H377 PolarHBondContact O-N 3.36Å
376	V	24.2	Very low	26.6	Very low	122 Å²	122	125.8 Å²	125.8	74%	0.739	71%	0.713	S	S	*	*			trans	-58.8	104.3	168.7	176.4	0	0	0	0	105.7	S374 V378	S374-V376 VanDerWaalsContact C-N 3.27Å; S374-V376 PolarHBondContact O-N 3.2Å; V376-V378 HydrophobicContact CG1-CG2 4.24Å; V376-V378 PolarHBondContact O-N 2.84Å
377	H	22.6	Very low	27.6	Very low	173 Å²	173	126.8 Å²	126.8	80%	0.801	72%	0.718	S	S	*	*			trans	-64.4	85.7	169.2	-116.9	-78.2	0	0	0	106.5	K375 S379	K375-H377 VanDerWaalsContact C-N 3.34Å; K375-H377 PolarHBondContact O-N 3.36Å; H377-S379 PolarHBondContact O-N 2.9Å
378	V	26.2	Very low	29.6	Very low	117 Å²	117	124.7 Å²	124.7	71%	0.709	70%	0.7	S	S	*	*			trans	-62.5	106	165	177.5	0	0	0	0	105	V376 T380	V376-V378 HydrophobicContact CG1-CG2 4.24Å; V376-V378 PolarHBondContact O-N 2.84Å; V378-T380 PolarHBondContact O-N 3.49Å
379	S	24	Very low	31.9	Very low	87 Å²	87	122.4 Å²	122.4	61%	0.608	70%	0.695	S	S	*	*			trans	-47.9	112.5	178.7	51.9	0	0	0	0	109.8	H377 H381	H377-S379 PolarHBondContact O-N 2.9Å; S379-H381 PolarHBondContact O-N 3.12Å
380	T	26	Very low	35.1	Very low	103 Å²	103	116.6 Å²	116.6	63%	0.632	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-70.1	23.9	-177	-23.5	0	0	0	0	113.4	V378 N382 L383	V378-T380 PolarHBondContact O-N 3.49Å; T380-N382 VanDerWaalsContact C-N 3.3Å; T380-N382 PolarHBondContact O-N 2.79Å; T380-L383 HydrophobicContact CG2-CB 4.41Å
381	H	27.3	Very low	38.2	Very low	165 Å²	165	114.9 Å²	114.9	76%	0.764	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-77.2	-9.2	-178.1	-88	-70.2	0	0	0	114.3	S379	S379-H381 PolarHBondContact O-N 3.12Å
382	N	30.1	Very low	41.5	Very low	141 Å²	141	115.5 Å²	115.5	75%	0.754	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-100.9	1.6	179	-76	-16	0	0	0	115.4	T380	T380-N382 VanDerWaalsContact C-N 3.3Å; T380-N382 PolarHBondContact O-N 2.79Å
383	L	34.6	Very low	44.6	Very low	119 Å²	119	109.4 Å²	109.4	62%	0.623	58%	0.584	S	S	*	*	S	Bend	trans	-99.8	-0.9	-172.3	-131.8	76.7	0	0	0	115.9	T380 N385	T380-L383 HydrophobicContact CG2-CB 4.41Å; L383-N385 PolarHBondContact O-N 3.1Å
384	T	34.8	Very low	47.9	Very low	108 Å²	108	99.6 Å²	99.6	66%	0.663	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-77.8	-6.1	177.3	50.1	0	0	0	0	113.6	K386	T384-K386 PolarHBondContact O-N 3.09Å
385	N	42.1	Very low	51.3	Low	72 Å²	72	96 Å²	96	39%	0.385	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-75.9	-14.1	-174.1	-86.4	-37.1	0	0	0	115.6	R25 L383 N387 H388	R25-N385 VanDerWaalsContact NH2-CG 3.31Å; R25-N385 PolarHBondContact NH2-OD1 3.31Å; L383-N385 PolarHBondContact O-N 3.1Å; N385-N387 VanDerWaalsContact C-N 3.29Å; N385-N387 PolarHBondContact O-N 2.82Å; N385-H388 PolarHBondContact O-ND1 3.36Å; N385-H388 VanDerWaalsContact O-ND1 3.12Å
386	K	46.3	Very low	54.5	Low	94 Å²	94	86.8 Å²	86.8	41%	0.409	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-74.1	-6	-174.1	-69.4	-170.9	176.6	-173	0	115.6	T384 F391	T384-K386 PolarHBondContact O-N 3.09Å; K386-F391 HydrophobicContact CG-CE1 4.43Å
387	N	42.1	Very low	57.8	Low	148 Å²	148	81.4 Å²	81.4	79%	0.791	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-92.2	7.7	-175.3	-80.3	-9.5	0	0	0	115.9	N385	N385-N387 VanDerWaalsContact C-N 3.29Å; N385-N387 PolarHBondContact O-N 2.82Å
388	H	60.7	Low	61.3	Low	76 Å²	76	73.2 Å²	73.2	35%	0.352	40%	0.404	S	S	.	.			trans	-94.1	135.5	-177.7	-58.6	81.6	0	0	0	111.7	R25 N385 T390 F391	R25-H388 PolarHBondContact NH1-CE1 3.13Å; R25-H388 VanDerWaalsContact NH1-CE1 3.3Å; R25-H388 PolarHBondContact NH1-ND1 2.73Å; N385-H388 PolarHBondContact O-ND1 3.36Å; N385-H388 VanDerWaalsContact O-ND1 3.12Å; H388-T390 VanDerWaalsContact C-N 3.3Å; H388-T390 PolarHBondContact O-N 3.03Å; H388-F391 PolarHBondContact O-N 3.2Å; H388-F391 VanDerWaalsContact O-N 3.09Å
389	G	70.9	Confident	64.6	Low	67 Å²	67	67.8 Å²	67.8	69%	0.691	37%	0.371	S	S	*	.	H	α-helix	trans	-57.6	-35.3	-167.4	0	0	0	0	0	115.1
390	T	87.2	Confident	67.9	Low	22 Å²	22	63.7 Å²	63.7	14%	0.135	34%	0.342	C	S	.	.	H	α-helix	trans	-72.4	-29.8	179.1	51.3	0	0	0	0	113.7	E42 F43 D46 H388 K392 R393 I394	E42-T390 HydrophobicContact CG-CG2 4.02Å; F43-T390 HydrophobicContact CB-CG2 4.27Å; D46-T390 WeakPolarHBondContact OD2-CB 3.21Å; D46-T390 WeakPolarHBondContact OD2-CG2 3.5Å; D46-T390 PolarHBondContact OD2-OG1 3.02Å; H388-T390 VanDerWaalsContact C-N 3.3Å; H388-T390 PolarHBondContact O-N 3.03Å; T390-K392 PolarHBondContact O-N 2.91Å; T390-R393 CarbonylContact O-C 3.5Å; T390-R393 WeakPolarHBondContact O-CA 3.47Å; T390-R393 VanDerWaalsContact O-CB 3.3Å; T390-R393 WeakPolarHBondContact O-CB 3.3Å; T390-R393 PolarHBondContact O-N 2.68Å; T390-I394 WeakPolarHBondContact O-CG1 3.41Å; T390-I394 PolarHBondContact O-N 3.23Å
391	F	88.5	Confident	71.2	Confident	39 Å²	39	59 Å²	59	17%	0.171	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-40	-175.1	-165.5	-102.5	0	0	0	112.3	L339 K386 H388 R393 I394 I395	L339-F391 HydrophobicContact CB-CE1 4.38Å; L339-F391 HydrophobicContact CB-CE2 4.49Å; L339-F391 HydrophobicContact CB-CZ 3.73Å; L339-F391 HydrophobicContact CD2-CE2 3.39Å; L339-F391 HydrophobicContact CD2-CZ 3.48Å; L339-F391 VanDerWaalsContact CD2-CZ 3.48Å; L339-F391 HydrophobicContact CG-CE2 4.37Å; L339-F391 HydrophobicContact CG-CZ 4.1Å; K386-F391 HydrophobicContact CG-CE1 4.43Å; H388-F391 PolarHBondContact O-N 3.2Å; H388-F391 VanDerWaalsContact O-N 3.09Å; F391-R393 PolarHBondContact O-N 2.79Å; F391-I394 PolarHBondContact O-N 3.37Å; F391-I394 VanDerWaalsContact O-N 3.16Å; F391-I395 HydrophobicContact CD1-CD1 3.68Å; F391-I395 HydrophobicContact CD1-CG1 4.36Å; F391-I395 HydrophobicContact CE1-CD1 3.4Å; F391-I395 VanDerWaalsContact CE1-CD1 3.4Å; F391-I395 HydrophobicContact CE1-CG1 4.17Å; F391-I395 HydrophobicContact CZ-CD1 4.25Å; F391-I395 PolarHBondContact O-N 3.08Å
392	K	88.9	Confident	74.5	Confident	131 Å²	131	52.4 Å²	52.4	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-58.2	-38.9	171.9	-67.7	-176.3	179.6	180	0	111.4	T390 G396	T390-K392 PolarHBondContact O-N 2.91Å; K392-G396 PolarHBondContact O-N 3.44Å
393	R	88.9	Confident	77.5	Confident	17 Å²	17	46.4 Å²	46.4	6%	0.064	25%	0.25	C	C	.	.	H	α-helix	trans	-69	-40.6	175.8	-172.7	-177.1	174.4	-177.5	6.4	111.7	F43 D246 T390 F391 G396 M397 V571	F43-R393 HydrophobicContact CD2-CB 4.08Å; F43-R393 HydrophobicContact CD2-CG 3.87Å; F43-R393 HydrophobicContact CE2-CB 3.86Å; F43-R393 HydrophobicContact CE2-CG 3.51Å; F43-R393 HydrophobicContact CZ-CG 4.26Å; D246-R393 IonicContact OD1-CZ 2.73Å; D246-R393 IonicContact OD1-NH1 2.86Å; D246-R393 IonicContact OD1-NH2 3.85Å; D246-R393 PolarHBondContact OD1-NH2 3.38Å; D246-R393 IonicContact OD2-CZ 2.87Å; D246-R393 IonicContact OD2-NH1 3.68Å; D246-R393 PolarHBondContact OD2-NH1 2.89Å; D246-R393 IonicContact OD2-NH2 3.71Å; D246-R393 PolarHBondContact OD2-NH2 3.49Å; T390-R393 CarbonylContact O-C 3.5Å; T390-R393 WeakPolarHBondContact O-CA 3.47Å; T390-R393 VanDerWaalsContact O-CB 3.3Å; T390-R393 WeakPolarHBondContact O-CB 3.3Å; T390-R393 PolarHBondContact O-N 2.68Å; F391-R393 PolarHBondContact O-N 2.79Å; R393-G396 PolarHBondContact O-N 2.89Å; R393-M397 HydrophobicContact CG-CG 4.25Å; R393-M397 HydrophobicContact CG-SD 4.18Å; R393-M397 WeakPolarHBondContact O-CB 3.27Å; R393-M397 WeakPolarHBondContact O-CG 3.26Å; R393-M397 PolarHBondContact O-N 3.46Å; R393-V571 HydrophobicContact CG-CG1 4.5Å
394	I	93.6	Very high	80.4	Confident	3 Å²	3	41 Å²	41	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-50.1	177.7	-69.2	168.7	0	0	0	109.8	F43 D46 L47 F335 L339 T390 F391 G396 M397 A398	F43-I394 HydrophobicContact CD2-CG1 3.94Å; F43-I394 HydrophobicContact CE2-CB 4.3Å; F43-I394 HydrophobicContact CE2-CG1 3.45Å; F43-I394 VanDerWaalsContact CE2-CG1 3.45Å; F43-I394 HydrophobicContact CZ-CG1 4.15Å; D46-I394 HydrophobicContact CB-CD1 3.73Å; L47-I394 HydrophobicContact CB-CD1 4.31Å; L47-I394 HydrophobicContact CB-CG1 4.37Å; L47-I394 HydrophobicContact CD1-CG1 4.4Å; L47-I394 HydrophobicContact CD1-CG2 3.98Å; F335-I394 HydrophobicContact CE1-CG2 4.14Å; F335-I394 HydrophobicContact CZ-CG2 4.01Å; L339-I394 HydrophobicContact CD1-CG2 3.99Å; T390-I394 WeakPolarHBondContact O-CG1 3.41Å; T390-I394 PolarHBondContact O-N 3.23Å; F391-I394 PolarHBondContact O-N 3.37Å; F391-I394 VanDerWaalsContact O-N 3.16Å; I394-G396 VanDerWaalsContact C-N 3.35Å; I394-G396 PolarHBondContact O-N 2.83Å; I394-M397 PolarHBondContact O-N 3Å; I394-A398 VanDerWaalsContact O-CB 3.23Å; I394-A398 WeakPolarHBondContact O-CB 3.38Å; I394-A398 PolarHBondContact O-N 2.61Å
395	I	93.9	Very high	83.3	Confident	18 Å²	18	36 Å²	36	9%	0.092	19%	0.191	C	C	.	.	H	α-helix	trans	-58.4	-48.4	176.6	-69.5	172.2	0	0	0	110.3	L336 L339 Y341 F391 T399 L570	L336-I395 HydrophobicContact CD2-CG2 4.44Å; L339-I395 HydrophobicContact CB-CD1 4.42Å; L339-I395 HydrophobicContact CB-CG1 4.21Å; L339-I395 HydrophobicContact CD1-CG1 4.19Å; Y341-I395 HydrophobicContact CD1-CG2 3.62Å; Y341-I395 HydrophobicContact CD2-CG2 4.36Å; Y341-I395 HydrophobicContact CE1-CG2 4.31Å; Y341-I395 HydrophobicContact CG-CG2 3.66Å; F391-I395 HydrophobicContact CD1-CD1 3.68Å; F391-I395 HydrophobicContact CD1-CG1 4.36Å; F391-I395 HydrophobicContact CE1-CD1 3.4Å; F391-I395 VanDerWaalsContact CE1-CD1 3.4Å; F391-I395 HydrophobicContact CE1-CG1 4.17Å; F391-I395 HydrophobicContact CZ-CD1 4.25Å; F391-I395 PolarHBondContact O-N 3.08Å; I395-T399 VanDerWaalsContact O-CB 3.24Å; I395-T399 WeakPolarHBondContact O-CB 3.38Å; I395-T399 PolarHBondContact O-N 3.35Å; I395-T399 PolarHBondContact O-OG1 2.91Å; I395-L570 HydrophobicContact CG2-CD1 4.29Å; I395-L570 HydrophobicContact CG2-CD2 4.16Å
396	G	92.6	Very high	85.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.3	-50.6	179.9	0	0	0	0	0	113.2	K392 R393 I394 T399 V400 V571	K392-G396 PolarHBondContact O-N 3.44Å; R393-G396 PolarHBondContact O-N 2.89Å; I394-G396 VanDerWaalsContact C-N 3.35Å; I394-G396 PolarHBondContact O-N 2.83Å; G396-T399 PolarHBondContact O-N 2.95Å; G396-V400 WeakPolarHBondContact O-CG2 3.33Å; G396-V400 PolarHBondContact O-N 3.29Å; G396-V571 WeakPolarHBondContact CA-O 3.3Å
397	M	93.2	Very high	88.2	Confident	9 Å²	9	34.9 Å²	34.9	4%	0.044	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-42.3	179.9	-68.9	-166.9	71	0	0	112.6	F43 L243 V245 R393 I394 T399 V400 A401	F43-M397 HydrophobicContact CE1-SD 4.02Å; F43-M397 HydrophobicContact CE2-SD 4.27Å; F43-M397 HydrophobicContact CZ-CG 4.43Å; F43-M397 HydrophobicContact CZ-SD 3.53Å; F43-M397 VanDerWaalsContact CZ-SD 3.53Å; L243-M397 HydrophobicContact CB-CE 4.31Å; L243-M397 HydrophobicContact CD1-CB 4.33Å; L243-M397 HydrophobicContact CD1-CE 4.22Å; L243-M397 HydrophobicContact CD2-CE 4.28Å; V245-M397 HydrophobicContact CG2-CE 4.02Å; R393-M397 HydrophobicContact CG-CG 4.25Å; R393-M397 HydrophobicContact CG-SD 4.18Å; R393-M397 WeakPolarHBondContact O-CB 3.27Å; R393-M397 WeakPolarHBondContact O-CG 3.26Å; R393-M397 PolarHBondContact O-N 3.46Å; I394-M397 PolarHBondContact O-N 3Å; M397-T399 VanDerWaalsContact C-N 3.35Å; M397-V400 PolarHBondContact O-N 3.06Å; M397-A401 WeakPolarHBondContact O-CB 3.48Å; M397-A401 PolarHBondContact O-N 3.04Å
398	A	95.4	Very high	90.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-67.5	-35.3	177.6	0	0	0	0	0	112.2	L332 F335 L336 I394 A401 Y402	L332-A398 HydrophobicContact CD2-CB 4.46Å; F335-A398 HydrophobicContact CD1-CB 4.16Å; F335-A398 HydrophobicContact CE1-CB 3.96Å; L336-A398 HydrophobicContact CD2-CB 3.79Å; L336-A398 HydrophobicContact CG-CB 4.27Å; I394-A398 VanDerWaalsContact O-CB 3.23Å; I394-A398 WeakPolarHBondContact O-CB 3.38Å; I394-A398 PolarHBondContact O-N 2.61Å; A398-A401 PolarHBondContact O-N 3.31Å; A398-Y402 WeakPolarHBondContact O-CB 3.37Å; A398-Y402 PolarHBondContact O-N 3Å
399	T	95.1	Very high	92.5	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-44.8	175	-57.2	0	0	0	0	110.9	Y341 I395 G396 M397 A401 Y402 E403 L570	Y341-T399 HydrophobicContact CE1-CG2 3.89Å; Y341-T399 WeakPolarHBondContact CE1-OG1 3.38Å; I395-T399 VanDerWaalsContact O-CB 3.24Å; I395-T399 WeakPolarHBondContact O-CB 3.38Å; I395-T399 PolarHBondContact O-N 3.35Å; I395-T399 PolarHBondContact O-OG1 2.91Å; G396-T399 PolarHBondContact O-N 2.95Å; M397-T399 VanDerWaalsContact C-N 3.35Å; T399-A401 VanDerWaalsContact C-N 3.32Å; T399-A401 PolarHBondContact O-N 3.48Å; T399-Y402 WeakPolarHBondContact O-CB 3.19Å; T399-Y402 PolarHBondContact O-N 3.04Å; T399-Y402 VanDerWaalsContact O-N 3.13Å; T399-E403 HydrophobicContact CG2-CG 4.38Å; T399-E403 WeakPolarHBondContact O-CG 3.42Å; T399-E403 PolarHBondContact O-N 3.08Å; T399-L570 HydrophobicContact CG2-CD1 3.95Å
400	V	93.8	Very high	93.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-39.8	176.4	179.7	0	0	0	0	111.3	G396 M397 Y402 E403 E404 C444 H446 R572	G396-V400 WeakPolarHBondContact O-CG2 3.33Å; G396-V400 PolarHBondContact O-N 3.29Å; M397-V400 PolarHBondContact O-N 3.06Å; V400-Y402 VanDerWaalsContact C-N 3.29Å; V400-Y402 PolarHBondContact O-N 3.34Å; V400-E403 PolarHBondContact O-N 3.26Å; V400-E404 PolarHBondContact O-N 3.25Å; V400-E404 VanDerWaalsContact O-N 3.08Å; V400-C444 VanDerWaalsContact CG1-SG 3.57Å; V400-H446 HydrophobicContact CB-CB 4.2Å; V400-H446 VanDerWaalsContact CG1-CA 3.49Å; V400-H446 HydrophobicContact CG1-CB 3.78Å; V400-R572 HydrophobicContact CG2-CB 3.81Å; V400-R572 HydrophobicContact CG2-CG 3.53Å
401	A	95.6	Very high	94.1	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.033	11%	0.111	C	C	.	.	H	α-helix	trans	-63	-33.8	174	0	0	0	0	0	112.8	L241 L243 L332 M397 A398 T399 H446	L241-A401 HydrophobicContact CD1-CB 4.1Å; L243-A401 HydrophobicContact CD2-CB 4.4Å; L332-A401 HydrophobicContact CD1-CB 4.03Å; M397-A401 WeakPolarHBondContact O-CB 3.48Å; M397-A401 PolarHBondContact O-N 3.04Å; A398-A401 PolarHBondContact O-N 3.31Å; T399-A401 VanDerWaalsContact C-N 3.32Å; T399-A401 PolarHBondContact O-N 3.48Å; A401-H446 HydrophobicContact CB-CB 4.32Å
402	Y	95.8	Very high	94.5	Very high	27 Å²	27	20.9 Å²	20.9	11%	0.106	11%	0.105	C	C	.	.	H	α-helix	trans	-71.5	-44.3	175.5	173.5	-93.6	0	0	0	112.6	R329 L332 H333 L336 P343 A398 T399 V400 E404	R329-Y402 HydrophobicContact CB-CE2 4.36Å; R329-Y402 HydrophobicContact CG-CD2 4.43Å; R329-Y402 PolarHBondContact NE-O 3.34Å; R329-Y402 PolarHBondContact NH2-O 3.49Å; L332-Y402 HydrophobicContact CB-CD2 4.02Å; H333-Y402 HydrophobicContact CB-CE2 4.06Å; L336-Y402 HydrophobicContact CD1-CG 4.35Å; P343-Y402 HydrophobicContact CB-CD1 3.64Å; P343-Y402 HydrophobicContact CB-CE1 3.21Å; P343-Y402 HydrophobicContact CB-CE2 4.26Å; P343-Y402 HydrophobicContact CB-CG 4.31Å; P343-Y402 HydrophobicContact CG-CD1 4.04Å; P343-Y402 HydrophobicContact CG-CD2 4.25Å; P343-Y402 HydrophobicContact CG-CE1 3.89Å; P343-Y402 HydrophobicContact CG-CE2 4.1Å; P343-Y402 HydrophobicContact CG-CG 4.22Å; A398-Y402 WeakPolarHBondContact O-CB 3.37Å; A398-Y402 PolarHBondContact O-N 3Å; T399-Y402 WeakPolarHBondContact O-CB 3.19Å; T399-Y402 PolarHBondContact O-N 3.04Å; T399-Y402 VanDerWaalsContact O-N 3.13Å; V400-Y402 VanDerWaalsContact C-N 3.29Å; V400-Y402 PolarHBondContact O-N 3.34Å; Y402-E404 PolarHBondContact O-N 3.13Å
403	E	94.6	Very high	94.8	Very high	15 Å²	15	15.1 Å²	15.1	7%	0.07	8%	0.081	C	C	.	.	H	α-helix	trans	-68.7	-22.9	179.6	-70.5	177.6	162.3	0	0	112.8	V346 T399 V400 S565	V346-E403 HydrophobicContact CG2-CG 4.29Å; T399-E403 HydrophobicContact CG2-CG 4.38Å; T399-E403 WeakPolarHBondContact O-CG 3.42Å; T399-E403 PolarHBondContact O-N 3.08Å; V400-E403 PolarHBondContact O-N 3.26Å; E403-S565 VanDerWaalsContact OE1-CB 3.29Å; E403-S565 WeakPolarHBondContact OE1-CB 3.46Å; E403-S565 PolarHBondContact OE1-N 3.36Å; E403-S565 PolarHBondContact OE1-OG 3.35Å; E403-S565 VanDerWaalsContact OE2-CB 3.27Å; E403-S565 WeakPolarHBondContact OE2-CB 3.43Å; E403-S565 PolarHBondContact OE2-OG 3.16Å
404	E	94.7	Very high	95.1	Very high	7 Å²	7	15.1 Å²	15.1	3%	0.033	8%	0.082	C	C	.	.	S	Bend	trans	-58.2	141	179.1	-165.3	170.3	136.4	0	0	112.7	R329 V400 Y402 P406 S443 S445 H446 K453	R329-E404 PolarHBondContact NH2-O 3.47Å; V400-E404 PolarHBondContact O-N 3.25Å; V400-E404 VanDerWaalsContact O-N 3.08Å; Y402-E404 PolarHBondContact O-N 3.13Å; E404-P406 WeakPolarHBondContact O-CD 3.37Å; E404-S443 WeakPolarHBondContact CA-OG 3.49Å; E404-S445 WeakPolarHBondContact OE2-CA 3.42Å; E404-H446 IonicContact OE1-ND1 3.52Å; E404-H446 IonicContact OE2-CE1 2.74Å; E404-H446 IonicContact OE2-CG 2.69Å; E404-H446 PolarHBondContact OE2-N 3.19Å; E404-H446 IonicContact OE2-ND1 2.85Å; E404-H446 PolarHBondContact OE2-ND1 2.75Å; E404-K453 HydrophobicContact CG-CD 3.72Å; E404-K453 WeakPolarHBondContact OE1-CE 3.42Å; E404-K453 IonicContact OE1-NZ 3.21Å; E404-K453 PolarHBondContact OE1-NZ 2.65Å
405	L	96.6	Very high	95.1	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.016	10%	0.097	C	C	.	.			trans	-63.9	117.5	173.9	-64	178.7	0	0	0	110.3	D407 V408 R441 S443 K453	L405-D407 VanDerWaalsContact C-N 3.35Å; L405-D407 PolarHBondContact O-N 2.86Å; L405-V408 HydrophobicContact CB-CB 4Å; L405-V408 HydrophobicContact CB-CG2 4Å; L405-V408 HydrophobicContact CD1-CB 4.36Å; L405-V408 HydrophobicContact CD1-CG2 3.86Å; L405-R441 HydrophobicContact CD1-CB 3.93Å; L405-R441 HydrophobicContact CD2-CB 3.87Å; L405-S443 PolarHBondContact N-OG 2.98Å; L405-S443 VanDerWaalsContact N-OG 3.1Å; L405-K453 HydrophobicContact CD1-CB 4.47Å
406	P	95	Very high	95.1	Very high	48 Å²	48	20.6 Å²	20.6	31%	0.312	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-24.7	-171.3	30.8	-35.4	0	0	0	113	E404	E404-P406 WeakPolarHBondContact O-CD 3.37Å
407	D	94.7	Very high	95.3	Very high	93 Å²	93	20.6 Å²	20.6	50%	0.497	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	3.4	-172.9	61.4	-53.7	0	0	0	113.5	L405 P409 R441	L405-D407 VanDerWaalsContact C-N 3.35Å; L405-D407 PolarHBondContact O-N 2.86Å; D407-P409 WeakPolarHBondContact O-CD 3.42Å; D407-R441 IonicContact OD1-CZ 3.08Å; D407-R441 IonicContact OD1-NH1 3.69Å; D407-R441 PolarHBondContact OD1-NH1 2.87Å; D407-R441 IonicContact OD1-NH2 2.68Å; D407-R441 PolarHBondContact OD1-NH2 3.15Å; D407-R441 IonicContact OD2-CZ 2.75Å; D407-R441 IonicContact OD2-NH1 3.56Å; D407-R441 PolarHBondContact OD2-NH1 3.43Å; D407-R441 IonicContact OD2-NH2 2.68Å; D407-R441 PolarHBondContact OD2-NH2 3.18Å
408	V	96.9	Very high	95.4	Very high	12 Å²	12	20.3 Å²	20.3	7%	0.073	11%	0.108	C	C	.	.			trans	-110	102.4	175	179.5	0	0	0	0	109.6	L405 K453 T454 D455	L405-V408 HydrophobicContact CB-CB 4Å; L405-V408 HydrophobicContact CB-CG2 4Å; L405-V408 HydrophobicContact CD1-CB 4.36Å; L405-V408 HydrophobicContact CD1-CG2 3.86Å; V408-K453 PolarHBondContact O-NZ 3.06Å; V408-T454 WeakPolarHBondContact CG1-O 3.32Å; V408-D455 HydrophobicContact CG2-CB 4.09Å
409	P	96.3	Very high	95.3	Very high	24 Å²	24	24 Å²	24	16%	0.156	13%	0.134	C	C	.	.			trans	-74.1	141.2	175.8	-15.6	30.8	0	0	0	112.3	Y281 I283 I323 D407	Y281-P409 WeakPolarHBondContact CE2-O 3.17Å; Y281-P409 PolarHBondContact OH-O 3.13Å; I283-P409 HydrophobicContact CD1-CB 3.56Å; I283-P409 HydrophobicContact CD1-CG 3.86Å; I323-P409 HydrophobicContact CB-CG 4.47Å; D407-P409 WeakPolarHBondContact O-CD 3.42Å
410	L	96.8	Very high	95.3	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	14%	0.138	C	C	.	.	S	Bend	trans	66.7	175.5	180	-46.2	178.6	0	0	0	113.1	E216 V217 Y281 F318 I321 K453	E216-L410 HydrophobicContact CG-CD2 4.19Å; E216-L410 WeakPolarHBondContact OE1-CA 3.44Å; E216-L410 PolarHBondContact OE1-N 3.45Å; V217-L410 HydrophobicContact CG2-CD2 3.76Å; Y281-L410 HydrophobicContact CD2-CD1 4.09Å; Y281-L410 HydrophobicContact CE2-CB 4.11Å; Y281-L410 HydrophobicContact CE2-CD1 4.29Å; F318-L410 HydrophobicContact CZ-CD1 4.16Å; I321-L410 HydrophobicContact CD1-CD2 4.28Å; L410-K453 VanDerWaalsContact O-CE 3.23Å; L410-K453 WeakPolarHBondContact O-CE 3.32Å; L410-K453 WeakPolarHBondContact O-CG 3.49Å
411	Y	96.2	Very high	95.3	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.02	14%	0.138	C	C	.	.			trans	-145.4	163.6	178.4	55.5	-97.2	0	0	0	111.6	S213 E216 I413 S445 A447 D448 L452	S213-Y411 WeakPolarHBondContact OG-CD1 3.43Å; S213-Y411 WeakPolarHBondContact OG-CD2 3.4Å; S213-Y411 VanDerWaalsContact OG-CG 3.31Å; S213-Y411 PolarHBondContact OG-N 3.26Å; S213-Y411 PolarHBondContact OG-O 2.7Å; E216-Y411 HydrophobicContact CB-CD1 4.22Å; E216-Y411 HydrophobicContact CB-CE1 3.63Å; E216-Y411 WeakPolarHBondContact OE2-CD1 3.41Å; Y411-I413 HydrophobicContact CD2-CD1 3.95Å; Y411-I413 HydrophobicContact CD2-CG1 4.35Å; Y411-I413 HydrophobicContact CE2-CD1 3.45Å; Y411-I413 VanDerWaalsContact CE2-CD1 3.45Å; Y411-I413 HydrophobicContact CE2-CG1 3.99Å; Y411-S445 WeakPolarHBondContact CD1-OG 3.41Å; Y411-S445 WeakPolarHBondContact CE1-OG 3.35Å; Y411-A447 HydrophobicContact CE1-CB 3.97Å; Y411-D448 HydrophobicContact CE2-CB 3.93Å; Y411-L452 WeakPolarHBondContact CA-O 3.33Å; Y411-L452 WeakPolarHBondContact CB-O 3.35Å
412	Y	96.4	Very high	95.1	Very high	14 Å²	14	27 Å²	27	6%	0.055	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	148.5	165.4	-56.5	-77.8	0	0	0	110.5	Y281 L417 S451 L452 T454 H458 V461	Y281-Y412 HydrophobicContact CD1-CD1 4.48Å; Y281-Y412 AromaticContact CD1-CE1 3.74Å; Y281-Y412 HydrophobicContact CD1-CE1 3.74Å; Y281-Y412 HydrophobicContact CE1-CD1 4.17Å; Y281-Y412 AromaticContact CE1-CE1 3.53Å; Y281-Y412 HydrophobicContact CE1-CE1 3.53Å; Y281-Y412 HydrophobicContact CE1-CE2 4Å; Y281-Y412 AromaticContact CE1-CZ 3.43Å; Y281-Y412 VanDerWaalsContact CE1-CZ 3.43Å; Y412-L417 HydrophobicContact CD1-CD1 4.27Å; Y412-L417 HydrophobicContact CD1-CD2 4.32Å; Y412-L417 HydrophobicContact CG-CD1 3.93Å; Y412-S451 CarbonylContact O-C 3.58Å; Y412-S451 WeakPolarHBondContact O-CA 3.47Å; Y412-L452 HydrophobicContact CD2-CD2 4.48Å; Y412-L452 PolarHBondContact N-O 2.97Å; Y412-L452 PolarHBondContact O-N 3.11Å; Y412-T454 HydrophobicContact CE2-CG2 4.38Å; Y412-H458 AromaticContact CE1-CE1 3.72Å; Y412-H458 AromaticContact CE1-ND1 3.32Å; Y412-H458 VanDerWaalsContact CE1-ND1 3.32Å; Y412-H458 WeakPolarHBondContact CE1-ND1 3.41Å; Y412-H458 AromaticContact CZ-ND1 3.4Å; Y412-H458 PolarHBondContact OH-ND1 3.12Å; Y412-H458 VanDerWaalsContact OH-ND1 3.12Å; Y412-V461 HydrophobicContact CD2-CG1 4.4Å; Y412-V461 HydrophobicContact CE2-CG1 4.45Å; Y412-V461 HydrophobicContact CE2-CG2 4.11Å
413	I	94.4	Very high	94.9	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.051	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.1	163.5	-65.9	-65.9	0	0	0	108	G212 Y411 D415 Q416 L417 D448 N450	G212-I413 WeakPolarHBondContact O-CG1 3.16Å; Y411-I413 HydrophobicContact CD2-CD1 3.95Å; Y411-I413 HydrophobicContact CD2-CG1 4.35Å; Y411-I413 HydrophobicContact CE2-CD1 3.45Å; Y411-I413 VanDerWaalsContact CE2-CD1 3.45Å; Y411-I413 HydrophobicContact CE2-CG1 3.99Å; I413-D415 HydrophobicContact CG2-CB 4.02Å; I413-D415 PolarHBondContact O-N 3.32Å; I413-Q416 HydrophobicContact CB-CB 4.2Å; I413-Q416 HydrophobicContact CB-CG 3.9Å; I413-Q416 HydrophobicContact CG2-CB 4.3Å; I413-Q416 HydrophobicContact CG2-CG 3.78Å; I413-Q416 PolarHBondContact O-N 3.08Å; I413-L417 PolarHBondContact O-N 2.98Å; I413-L417 VanDerWaalsContact O-N 3.08Å; I413-D448 HydrophobicContact CD1-CB 3.94Å; I413-D448 VanDerWaalsContact CD1-CG 3.46Å; I413-N450 WeakPolarHBondContact CA-O 3.26Å
414	T	95	Very high	94.9	Very high	17 Å²	17	30.6 Å²	30.6	10%	0.104	19%	0.189	C	C	.	.	H	α-helix	trans	-58.7	-36	-176.3	51.9	0	0	0	0	112.4	Q416 L417 A418 L431 N450 L452	T414-Q416 VanDerWaalsContact C-N 3.32Å; T414-Q416 PolarHBondContact O-N 3.34Å; T414-L417 PolarHBondContact O-N 2.97Å; T414-A418 WeakPolarHBondContact O-CB 3.48Å; T414-A418 PolarHBondContact O-N 2.66Å; T414-L431 HydrophobicContact CG2-CD2 3.75Å; T414-N450 PolarHBondContact N-O 3.48Å; T414-N450 PolarHBondContact OG1-O 3.41Å; T414-L452 HydrophobicContact CG2-CB 4.13Å
415	D	93.8	Very high	94.9	Very high	59 Å²	59	34.3 Å²	34.3	32%	0.316	21%	0.208	S	C	.	.	H	α-helix	trans	-66.2	-37.1	179.3	-53.6	1.4	0	0	0	111.7	I413 S419 I425 N450	I413-D415 HydrophobicContact CG2-CB 4.02Å; I413-D415 PolarHBondContact O-N 3.32Å; D415-S419 WeakPolarHBondContact O-CB 3.45Å; D415-S419 PolarHBondContact O-N 3.32Å; D415-I425 HydrophobicContact CB-CD1 4.08Å; D415-I425 WeakPolarHBondContact OD1-CD1 3.26Å; D415-N450 VanDerWaalsContact CG-ND2 3.32Å; D415-N450 PolarHBondContact OD1-ND2 2.97Å; D415-N450 VanDerWaalsContact OD1-ND2 3.16Å; D415-N450 PolarHBondContact OD2-ND2 3.07Å
416	Q	94.8	Very high	94.7	Very high	77 Å²	77	34.4 Å²	34.4	36%	0.36	21%	0.209	S	C	.	.	H	α-helix	trans	-73	-41.1	178.7	-62.8	-178.7	11.4	0	0	110.3	G212 L279 I413 T414 S419 V420	G212-Q416 VanDerWaalsContact CA-OE1 3.32Å; L279-Q416 HydrophobicContact CD1-CB 3.46Å; L279-Q416 VanDerWaalsContact CD1-CB 3.46Å; I413-Q416 HydrophobicContact CB-CB 4.2Å; I413-Q416 HydrophobicContact CB-CG 3.9Å; I413-Q416 HydrophobicContact CG2-CB 4.3Å; I413-Q416 HydrophobicContact CG2-CG 3.78Å; I413-Q416 PolarHBondContact O-N 3.08Å; T414-Q416 VanDerWaalsContact C-N 3.32Å; T414-Q416 PolarHBondContact O-N 3.34Å; Q416-S419 WeakPolarHBondContact O-CB 3.23Å; Q416-S419 PolarHBondContact O-N 2.85Å; Q416-V420 WeakPolarHBondContact O-CG2 3.11Å; Q416-V420 PolarHBondContact O-N 3.24Å
417	L	95.5	Very high	94.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-46.7	172.7	-72.6	174.6	0	0	0	111.6	L279 Y412 I413 T414 S419 V420 F421 V461 F465	L279-L417 HydrophobicContact CB-CD2 4.4Å; L279-L417 HydrophobicContact CD1-CD2 4.18Å; L279-L417 HydrophobicContact CD1-CG 4.42Å; Y412-L417 HydrophobicContact CD1-CD1 4.27Å; Y412-L417 HydrophobicContact CD1-CD2 4.32Å; Y412-L417 HydrophobicContact CG-CD1 3.93Å; I413-L417 PolarHBondContact O-N 2.98Å; I413-L417 VanDerWaalsContact O-N 3.08Å; T414-L417 PolarHBondContact O-N 2.97Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 3.47Å; L417-V420 WeakPolarHBondContact O-CB 3.17Å; L417-V420 PolarHBondContact O-N 3.29Å; L417-V420 VanDerWaalsContact O-N 3.14Å; L417-F421 WeakPolarHBondContact O-CD2 3.18Å; L417-F421 PolarHBondContact O-N 2.89Å; L417-V461 HydrophobicContact CD1-CG1 3.81Å; L417-F465 HydrophobicContact CB-CD1 4.08Å; L417-F465 HydrophobicContact CB-CD2 4.29Å; L417-F465 HydrophobicContact CB-CE1 3.61Å; L417-F465 HydrophobicContact CB-CE2 3.86Å; L417-F465 HydrophobicContact CB-CG 4.39Å; L417-F465 HydrophobicContact CB-CZ 3.49Å; L417-F465 VanDerWaalsContact CB-CZ 3.49Å; L417-F465 HydrophobicContact CD1-CD2 4.28Å; L417-F465 HydrophobicContact CD1-CE2 3.55Å; L417-F465 HydrophobicContact CD1-CZ 3.81Å; L417-F465 HydrophobicContact CG-CE2 4.35Å; L417-F465 HydrophobicContact CG-CZ 4.32Å
418	A	95.5	Very high	94.5	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-40	175.6	0	0	0	0	0	112	T414 V420 F421 G422 C423 I425 F465	T414-A418 WeakPolarHBondContact O-CB 3.48Å; T414-A418 PolarHBondContact O-N 2.66Å; A418-V420 PolarHBondContact O-N 2.84Å; A418-F421 CarbonylContact O-C 3.58Å; A418-F421 PolarHBondContact O-N 2.86Å; A418-G422 PolarHBondContact O-N 3.1Å; A418-C423 PolarHBondContact O-N 3.18Å; A418-C423 VanDerWaalsContact O-N 3.12Å; A418-I425 HydrophobicContact CB-CB 4.48Å; A418-I425 HydrophobicContact CB-CG1 3.83Å; A418-F465 HydrophobicContact CB-CD1 4.43Å; A418-F465 HydrophobicContact CB-CE1 4.03Å
419	S	94.6	Very high	94.4	Very high	80 Å²	80	38.1 Å²	38.1	56%	0.559	22%	0.218	S	C	*	.	H	α-helix	trans	-62.6	-37.4	175.9	-176.9	0	0	0	0	113	D415 Q416 L417 F421 G422 R541	D415-S419 WeakPolarHBondContact O-CB 3.45Å; D415-S419 PolarHBondContact O-N 3.32Å; Q416-S419 WeakPolarHBondContact O-CB 3.23Å; Q416-S419 PolarHBondContact O-N 2.85Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 3.47Å; S419-F421 VanDerWaalsContact C-N 3.28Å; S419-F421 PolarHBondContact O-N 3.47Å; S419-G422 PolarHBondContact O-N 3.16Å; S419-G422 VanDerWaalsContact O-N 3.16Å; S419-R541 PolarHBondContact O-NH2 3.29Å
420	V	94.4	Very high	94.4	Very high	16 Å²	16	38.7 Å²	38.7	10%	0.097	22%	0.22	C	C	.	.	H	α-helix	trans	-57.1	-44.2	174.2	171.5	0	0	0	0	110.4	G277 L279 Q416 L417 A418 V540 R541 L544	G277-V420 WeakPolarHBondContact O-CG2 3.37Å; L279-V420 HydrophobicContact CD1-CG2 4.24Å; L279-V420 HydrophobicContact CG-CG2 4.27Å; Q416-V420 WeakPolarHBondContact O-CG2 3.11Å; Q416-V420 PolarHBondContact O-N 3.24Å; L417-V420 WeakPolarHBondContact O-CB 3.17Å; L417-V420 PolarHBondContact O-N 3.29Å; L417-V420 VanDerWaalsContact O-N 3.14Å; A418-V420 PolarHBondContact O-N 2.84Å; V420-V540 HydrophobicContact CG1-CG1 4.38Å; V420-R541 PolarHBondContact O-NE 2.61Å; V420-L544 HydrophobicContact CG1-CD1 3.38Å
421	F	93.6	Very high	94.4	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-80.9	-18.7	177.5	-71.3	-80.6	0	0	0	114.5	L417 A418 S419 C423 L462 F465 R466 R541 L544 R545	L417-F421 WeakPolarHBondContact O-CD2 3.18Å; L417-F421 PolarHBondContact O-N 2.89Å; A418-F421 CarbonylContact O-C 3.58Å; A418-F421 PolarHBondContact O-N 2.86Å; S419-F421 VanDerWaalsContact C-N 3.28Å; S419-F421 PolarHBondContact O-N 3.47Å; F421-C423 HydrophobicContact CB-CB 4.47Å; F421-L462 HydrophobicContact CE2-CD2 3.69Å; F421-L462 HydrophobicContact CZ-CB 4.12Å; F421-L462 HydrophobicContact CZ-CD2 3.8Å; F421-F465 HydrophobicContact CD2-CB 3.56Å; F421-F465 HydrophobicContact CD2-CD1 4.41Å; F421-F465 HydrophobicContact CD2-CG 4.26Å; F421-F465 HydrophobicContact CE2-CB 3.48Å; F421-F465 VanDerWaalsContact CE2-CB 3.48Å; F421-F465 HydrophobicContact CE2-CG 4.3Å; F421-F465 HydrophobicContact CG-CB 4.35Å; F421-F465 HydrophobicContact CZ-CB 4.22Å; F421-R466 HydrophobicContact CD1-CG 4.27Å; F421-R466 HydrophobicContact CE1-CG 3.46Å; F421-R466 VanDerWaalsContact CE1-CG 3.46Å; F421-R466 HydrophobicContact CZ-CG 3.96Å; F421-R541 VanDerWaalsContact C-NE 3.32Å; F421-R541 VanDerWaalsContact O-CD 3.3Å; F421-R541 WeakPolarHBondContact O-CD 3.39Å; F421-R541 PolarHBondContact O-NE 3.11Å; F421-L544 HydrophobicContact CE1-CB 3.85Å; F421-L544 HydrophobicContact CE1-CD1 4.49Å; F421-L544 HydrophobicContact CZ-CB 4.24Å; F421-L544 HydrophobicContact CZ-CD1 4.29Å; F421-R545 HydrophobicContact CD1-CG 4.22Å
422	G	91.5	Very high	94.4	Very high	52 Å²	52	38.8 Å²	38.8	54%	0.536	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	32.7	-174.2	0	0	0	0	0	112.6	A418 S419	A418-G422 PolarHBondContact O-N 3.1Å; S419-G422 PolarHBondContact O-N 3.16Å; S419-G422 VanDerWaalsContact O-N 3.16Å
423	C	91.9	Very high	94.5	Very high	31 Å²	31	38.1 Å²	38.1	21%	0.209	22%	0.218	C	C	.	.			trans	-113.2	174.3	-179.6	69.3	0	0	0	0	111.9	A418 F421 C469	A418-C423 PolarHBondContact O-N 3.18Å; A418-C423 VanDerWaalsContact O-N 3.12Å; F421-C423 HydrophobicContact CB-CB 4.47Å; C423-C469 WeakPolarHBondContact CB-SG 3.44Å; C423-C469 VanDerWaalsContact SG-SG 3.61Å
424	T	94	Very high	94.7	Very high	88 Å²	88	37.6 Å²	37.6	54%	0.54	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-72.5	158.3	168.8	65.4	0	0	0	0	110.4	H468 I472	T424-H468 PolarHBondContact O-CD2 3.08Å; T424-H468 PolarHBondContact O-NE2 3.42Å; T424-H468 PolarHBondContact OG1-NE2 3.48Å; T424-I472 WeakPolarHBondContact OG1-CD1 3.23Å
425	I	94.1	Very high	94.8	Very high	84 Å²	84	36.9 Å²	36.9	43%	0.431	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-74.4	126.9	-179.8	-59.4	156.6	0	0	0	108.7	D415 A418	D415-I425 HydrophobicContact CB-CD1 4.08Å; D415-I425 WeakPolarHBondContact OD1-CD1 3.26Å; A418-I425 HydrophobicContact CB-CB 4.48Å; A418-I425 HydrophobicContact CB-CG1 3.83Å
426	P	93.5	Very high	95	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.032	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-59.5	142.3	171.6	-14.7	24	0	0	0	111	Q428 L431 F465 H468	P426-Q428 PolarHBondContact O-N 2.92Å; P426-L431 HydrophobicContact CB-CB 4.32Å; P426-F465 HydrophobicContact CG-CD1 4.14Å; P426-F465 HydrophobicContact CG-CE1 3.86Å; P426-F465 HydrophobicContact CG-CZ 4.2Å; P426-H468 HydrophobicContact CG-CB 4.16Å
427	K	93.2	Very high	95.2	Very high	157 Å²	157	33.6 Å²	33.6	68%	0.683	20%	0.195	S	C	*	.	P	Polyproline II helix	trans	-59.6	140.5	170.9	-67	-178.8	-178.3	175.8	0	108.9	D430 L431	K427-D430 WeakPolarHBondContact O-CB 3.43Å; K427-D430 PolarHBondContact O-N 3.33Å; K427-L431 PolarHBondContact O-N 3.12Å
428	Q	92.9	Very high	95.3	Very high	51 Å²	51	34.5 Å²	34.5	24%	0.238	20%	0.203	C	C	.	.	H	α-helix	trans	-54	-47.8	-179.7	-175.6	-156.8	-48.9	0	0	112.6	P426 D430 L431 Y432	P426-Q428 PolarHBondContact O-N 2.92Å; Q428-D430 VanDerWaalsContact C-N 3.33Å; Q428-D430 PolarHBondContact O-N 2.81Å; Q428-L431 PolarHBondContact O-N 3.19Å; Q428-Y432 HydrophobicContact CG-CD1 3.76Å; Q428-Y432 HydrophobicContact CG-CD2 4.49Å; Q428-Y432 HydrophobicContact CG-CE1 3.47Å; Q428-Y432 VanDerWaalsContact CG-CE1 3.47Å; Q428-Y432 HydrophobicContact CG-CE2 4.24Å; Q428-Y432 HydrophobicContact CG-CG 4.28Å; Q428-Y432 WeakPolarHBondContact O-CB 3.09Å; Q428-Y432 WeakPolarHBondContact O-CD1 3.47Å; Q428-Y432 PolarHBondContact O-N 2.69Å
429	P	94.2	Very high	95.4	Very high	24 Å²	24	41.7 Å²	41.7	16%	0.156	24%	0.241	C	C	.	.	H	α-helix	trans	-39.9	-52.7	166.6	-42.8	44	0	0	0	116.4	S433 R557 A561 E562	P429-S433 WeakPolarHBondContact O-CB 3.19Å; P429-S433 PolarHBondContact O-N 3.38Å; P429-S433 PolarHBondContact O-OG 3.5Å; P429-R557 VanDerWaalsContact CA-NH1 3.31Å; P429-A561 WeakPolarHBondContact O-CB 3.21Å; P429-E562 HydrophobicContact CG-CG 4.17Å
430	D	96.1	Very high	95.5	Very high	35 Å²	35	40.9 Å²	40.9	19%	0.187	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-48.1	-177.5	-72.3	32.1	0	0	0	110.3	K427 Q428 Y432 S433 C434 R471 F555	K427-D430 WeakPolarHBondContact O-CB 3.43Å; K427-D430 PolarHBondContact O-N 3.33Å; Q428-D430 VanDerWaalsContact C-N 3.33Å; Q428-D430 PolarHBondContact O-N 2.81Å; D430-Y432 VanDerWaalsContact C-N 3.34Å; D430-Y432 PolarHBondContact O-N 3.32Å; D430-S433 WeakPolarHBondContact O-CB 3.09Å; D430-S433 PolarHBondContact O-N 2.06Å; D430-C434 PolarHBondContact O-N 3.41Å; D430-R471 IonicContact OD2-CZ 2.67Å; D430-R471 IonicContact OD2-NH1 3.57Å; D430-R471 PolarHBondContact OD2-NH1 3.23Å; D430-R471 IonicContact OD2-NH2 2.81Å; D430-R471 PolarHBondContact OD2-NH2 3.47Å; D430-F555 HydrophobicContact CB-CD1 3.76Å; D430-F555 HydrophobicContact CB-CE1 4.13Å; D430-F555 VanDerWaalsContact O-CD1 3.26Å; D430-F555 WeakPolarHBondContact O-CD1 3.43Å
431	L	96.4	Very high	95.7	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-39.4	-178.1	-173.7	56.3	0	0	0	112.2	T414 P426 K427 Q428 S433 C434 L435 L452 C464 F465	T414-L431 HydrophobicContact CG2-CD2 3.75Å; P426-L431 HydrophobicContact CB-CB 4.32Å; K427-L431 PolarHBondContact O-N 3.12Å; Q428-L431 PolarHBondContact O-N 3.19Å; L431-S433 VanDerWaalsContact C-N 3.35Å; L431-C434 WeakPolarHBondContact O-CB 3.31Å; L431-C434 PolarHBondContact O-N 2.82Å; L431-L435 PolarHBondContact O-N 3.06Å; L431-L452 HydrophobicContact CD2-CD1 4.2Å; L431-L452 HydrophobicContact CD2-CD2 3.93Å; L431-L452 HydrophobicContact CG-CD1 4.36Å; L431-L452 HydrophobicContact CG-CD2 4.35Å; L431-C464 HydrophobicContact CD1-CB 3.91Å; L431-F465 HydrophobicContact CD1-CD2 4.5Å; L431-F465 HydrophobicContact CD1-CE2 4.01Å; L431-F465 HydrophobicContact CD2-CE2 4.08Å; L431-F465 HydrophobicContact CD2-CZ 4.11Å
432	Y	97.3	Very high	95.9	Very high	8 Å²	8	43.1 Å²	43.1	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-67.5	-40.6	176.4	-79.8	29.7	0	0	0	110.3	Q428 D430 C434 L435 L436 V442 S443 C444 L452 A561	Q428-Y432 HydrophobicContact CG-CD1 3.76Å; Q428-Y432 HydrophobicContact CG-CD2 4.49Å; Q428-Y432 HydrophobicContact CG-CE1 3.47Å; Q428-Y432 VanDerWaalsContact CG-CE1 3.47Å; Q428-Y432 HydrophobicContact CG-CE2 4.24Å; Q428-Y432 HydrophobicContact CG-CG 4.28Å; Q428-Y432 WeakPolarHBondContact O-CB 3.09Å; Q428-Y432 WeakPolarHBondContact O-CD1 3.47Å; Q428-Y432 PolarHBondContact O-N 2.69Å; D430-Y432 VanDerWaalsContact C-N 3.34Å; D430-Y432 PolarHBondContact O-N 3.32Å; Y432-C434 VanDerWaalsContact C-N 3.33Å; Y432-C434 PolarHBondContact O-N 3.36Å; Y432-L435 PolarHBondContact O-N 2.97Å; Y432-L436 VanDerWaalsContact O-CB 3.32Å; Y432-L436 WeakPolarHBondContact O-CB 3.13Å; Y432-L436 WeakPolarHBondContact O-CD1 3.41Å; Y432-L436 WeakPolarHBondContact O-CG 3.45Å; Y432-L436 PolarHBondContact O-N 3.16Å; Y432-V442 HydrophobicContact CD1-CG1 4.43Å; Y432-V442 HydrophobicContact CD1-CG2 3.69Å; Y432-V442 HydrophobicContact CD2-CG1 3.87Å; Y432-V442 HydrophobicContact CD2-CG2 4.27Å; Y432-V442 HydrophobicContact CE1-CG2 3.65Å; Y432-V442 HydrophobicContact CE2-CG1 4.39Å; Y432-V442 HydrophobicContact CE2-CG2 4.25Å; Y432-V442 HydrophobicContact CG-CG1 3.89Å; Y432-V442 HydrophobicContact CG-CG2 4.01Å; Y432-S443 VanDerWaalsContact OH-C 3.29Å; Y432-C444 PolarHBondContact OH-N 2.91Å; Y432-C444 VanDerWaalsContact OH-N 3.07Å; Y432-L452 HydrophobicContact CD1-CD1 4.07Å; Y432-L452 HydrophobicContact CE1-CD1 3.67Å; Y432-A561 VanDerWaalsContact CD2-O 3.28Å; Y432-A561 WeakPolarHBondContact CD2-O 3.43Å
433	S	98.2	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-42.2	174.9	-55.1	0	0	0	0	111.6	P429 D430 L431 L435 L436 N437 T556 H558 A561	P429-S433 WeakPolarHBondContact O-CB 3.19Å; P429-S433 PolarHBondContact O-N 3.38Å; P429-S433 PolarHBondContact O-OG 3.5Å; D430-S433 WeakPolarHBondContact O-CB 3.09Å; D430-S433 PolarHBondContact O-N 2.06Å; L431-S433 VanDerWaalsContact C-N 3.35Å; S433-L435 VanDerWaalsContact C-N 3.28Å; S433-L435 PolarHBondContact O-N 3.22Å; S433-L436 PolarHBondContact O-N 2.78Å; S433-N437 VanDerWaalsContact O-CB 3.26Å; S433-N437 WeakPolarHBondContact O-CB 3.3Å; S433-N437 PolarHBondContact O-N 3.2Å; S433-N437 PolarHBondContact O-ND2 3.16Å; S433-N437 VanDerWaalsContact O-ND2 3.08Å; S433-T556 WeakPolarHBondContact CB-O 3.42Å; S433-H558 PolarHBondContact OG-N 3.26Å; S433-A561 VanDerWaalsContact OG-CB 3.27Å; S433-A561 WeakPolarHBondContact OG-CB 3.5Å
434	C	98.1	Very high	96.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-52.2	-45.2	174.3	-171.5	0	0	0	0	112.9	D430 L431 Y432 C464 S554 F555	D430-C434 PolarHBondContact O-N 3.41Å; L431-C434 WeakPolarHBondContact O-CB 3.31Å; L431-C434 PolarHBondContact O-N 2.82Å; Y432-C434 VanDerWaalsContact C-N 3.33Å; Y432-C434 PolarHBondContact O-N 3.36Å; C434-C464 HydrophobicContact CB-CB 4.12Å; C434-C464 WeakPolarHBondContact CB-SG 3.43Å; C434-C464 WeakPolarHBondContact SG-CB 3.38Å; C434-C464 CovalentContact SG-SG 2.06Å; C434-C464 PolarHBondContact SG-SG 2.85Å; C434-S554 VanDerWaalsContact CA-O 3.23Å; C434-S554 WeakPolarHBondContact CA-O 3.45Å; C434-S554 PolarHBondContact N-O 3.49Å; C434-F555 HydrophobicContact CB-CD1 4.07Å; C434-F555 HydrophobicContact CB-CE1 3.81Å; C434-F555 HydrophobicContact CB-CZ 4.21Å
435	L	98.3	Very high	96.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-76.5	-45.6	-178.5	-66.3	163.6	0	0	0	112	L431 Y432 S433 A438 N439 Y440 V442 L452 T454 A456 F460	L431-L435 PolarHBondContact O-N 3.06Å; Y432-L435 PolarHBondContact O-N 2.97Å; S433-L435 VanDerWaalsContact C-N 3.28Å; S433-L435 PolarHBondContact O-N 3.22Å; L435-A438 CarbonylContact O-C 3.6Å; L435-A438 PolarHBondContact O-N 2.96Å; L435-N439 PolarHBondContact O-N 2.92Å; L435-Y440 PolarHBondContact O-N 2.98Å; L435-V442 HydrophobicContact CB-CB 4.38Å; L435-V442 HydrophobicContact CD1-CB 4.05Å; L435-V442 HydrophobicContact CD1-CG2 3.7Å; L435-L452 HydrophobicContact CD1-CD1 3.79Å; L435-L452 HydrophobicContact CD1-CD2 4.21Å; L435-L452 HydrophobicContact CD1-CG 4.38Å; L435-T454 HydrophobicContact CD1-CG2 4.41Å; L435-T454 HydrophobicContact CD2-CG2 4.38Å; L435-A456 HydrophobicContact CD2-CB 3.68Å; L435-F460 HydrophobicContact CD2-CD1 3.92Å; L435-F460 HydrophobicContact CD2-CE1 4.04Å
436	L	97.7	Very high	96	Very high	17 Å²	17	31.7 Å²	31.7	9%	0.089	16%	0.156	C	C	.	.	H	α-helix	trans	-66.2	-39.6	-176.9	-70	164.3	0	0	0	112.2	Y432 S433 A438 N439 V442 H558 L560 A561	Y432-L436 VanDerWaalsContact O-CB 3.32Å; Y432-L436 WeakPolarHBondContact O-CB 3.13Å; Y432-L436 WeakPolarHBondContact O-CD1 3.41Å; Y432-L436 WeakPolarHBondContact O-CG 3.45Å; Y432-L436 PolarHBondContact O-N 3.16Å; S433-L436 PolarHBondContact O-N 2.78Å; L436-A438 PolarHBondContact O-N 2.63Å; L436-N439 WeakPolarHBondContact O-CA 3.48Å; L436-N439 PolarHBondContact O-N 3.31Å; L436-V442 HydrophobicContact CD1-CG1 4.02Å; L436-V442 HydrophobicContact CD2-CG1 3.94Å; L436-V442 HydrophobicContact CG-CG1 3.76Å; L436-H558 HydrophobicContact CB-CB 4.11Å; L436-H558 HydrophobicContact CD1-CB 4.26Å; L436-L560 HydrophobicContact CD1-CB 4.1Å; L436-A561 HydrophobicContact CD1-CB 4.19Å
437	N	97.9	Very high	96	Very high	51 Å²	51	32 Å²	32	27%	0.273	16%	0.159	S	C	.	.	H	α-helix	trans	-64.2	-25.3	176.7	-70.5	-26.7	0	0	0	112.7	S433 N439 S554 T556 H558	S433-N437 VanDerWaalsContact O-CB 3.26Å; S433-N437 WeakPolarHBondContact O-CB 3.3Å; S433-N437 PolarHBondContact O-N 3.2Å; S433-N437 PolarHBondContact O-ND2 3.16Å; S433-N437 VanDerWaalsContact O-ND2 3.08Å; N437-N439 VanDerWaalsContact C-N 3.28Å; N437-S554 PolarHBondContact ND2-O 3.4Å; N437-T556 PolarHBondContact ND2-O 3.36Å; N437-H558 PolarHBondContact OD1-CD2 3.2Å
438	A	97.8	Very high	95.9	Very high	18 Å²	18	26.5 Å²	26.5	15%	0.149	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	14.4	172.5	0	0	0	0	0	112.9	L435 L436 Y440 F460	L435-A438 CarbonylContact O-C 3.6Å; L435-A438 PolarHBondContact O-N 2.96Å; L436-A438 PolarHBondContact O-N 2.63Å; A438-Y440 HydrophobicContact CB-CD2 3.75Å; A438-Y440 HydrophobicContact CB-CE2 3.85Å; A438-Y440 PolarHBondContact O-N 3.1Å; A438-F460 HydrophobicContact CB-CE1 3.77Å; A438-F460 HydrophobicContact CB-CE2 3.94Å; A438-F460 HydrophobicContact CB-CZ 3.27Å
439	N	97.1	Very high	95.5	Very high	153 Å²	153	30.4 Å²	30.4	82%	0.818	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	19.6	-180	-58.5	-53.4	0	0	0	115.5	L435 L436 N437	L435-N439 PolarHBondContact O-N 2.92Å; L436-N439 WeakPolarHBondContact O-CA 3.48Å; L436-N439 PolarHBondContact O-N 3.31Å; N437-N439 VanDerWaalsContact C-N 3.28Å
440	Y	98.2	Very high	95.3	Very high	63 Å²	63	31.7 Å²	31.7	25%	0.247	16%	0.159	C	C	.	.			trans	-84.2	147.5	170.5	-63	-65.4	0	0	0	111	L435 A438 A456 P457 F460	L435-Y440 PolarHBondContact O-N 2.98Å; A438-Y440 HydrophobicContact CB-CD2 3.75Å; A438-Y440 HydrophobicContact CB-CE2 3.85Å; A438-Y440 PolarHBondContact O-N 3.1Å; Y440-A456 VanDerWaalsContact CD1-CA 3.42Å; Y440-A456 HydrophobicContact CD1-CB 3.77Å; Y440-A456 HydrophobicContact CD2-CB 3.65Å; Y440-A456 HydrophobicContact CE1-CB 4.19Å; Y440-A456 HydrophobicContact CE2-CB 4.08Å; Y440-A456 HydrophobicContact CG-CB 3.48Å; Y440-A456 VanDerWaalsContact CG-CB 3.48Å; Y440-P457 VanDerWaalsContact CE1-CD 3.41Å; Y440-P457 HydrophobicContact CE1-CG 4.49Å; Y440-P457 VanDerWaalsContact CZ-CD 3.48Å; Y440-P457 WeakPolarHBondContact OH-CD 3.4Å; Y440-F460 AromaticContact CD2-CD1 3.72Å; Y440-F460 HydrophobicContact CD2-CD1 3.72Å; Y440-F460 AromaticContact CD2-CE1 3.79Å; Y440-F460 HydrophobicContact CD2-CE1 3.79Å; Y440-F460 HydrophobicContact CD2-CG 4.31Å; Y440-F460 HydrophobicContact CD2-CZ 4.44Å; Y440-F460 HydrophobicContact CE2-CB 4.32Å; Y440-F460 AromaticContact CE2-CD1 3.56Å; Y440-F460 HydrophobicContact CE2-CD1 3.56Å; Y440-F460 HydrophobicContact CE2-CD2 4.05Å; Y440-F460 AromaticContact CE2-CE1 3.84Å; Y440-F460 HydrophobicContact CE2-CE1 3.84Å; Y440-F460 HydrophobicContact CE2-CE2 4.3Å; Y440-F460 AromaticContact CE2-CG 3.68Å; Y440-F460 HydrophobicContact CE2-CG 3.68Å; Y440-F460 HydrophobicContact CE2-CZ 4.21Å
441	R	97.5	Very high	95.2	Very high	56 Å²	56	30.3 Å²	30.3	21%	0.211	15%	0.152	C	C	.	.			trans	-80.8	147	172	-62.2	-178.6	-62	151.9	9.1	109.4	L405 D407 T454 D455	L405-R441 HydrophobicContact CD1-CB 3.93Å; L405-R441 HydrophobicContact CD2-CB 3.87Å; D407-R441 IonicContact OD1-CZ 3.08Å; D407-R441 IonicContact OD1-NH1 3.69Å; D407-R441 PolarHBondContact OD1-NH1 2.87Å; D407-R441 IonicContact OD1-NH2 2.68Å; D407-R441 PolarHBondContact OD1-NH2 3.15Å; D407-R441 IonicContact OD2-CZ 2.75Å; D407-R441 IonicContact OD2-NH1 3.56Å; D407-R441 PolarHBondContact OD2-NH1 3.43Å; D407-R441 IonicContact OD2-NH2 2.68Å; D407-R441 PolarHBondContact OD2-NH2 3.18Å; R441-T454 WeakPolarHBondContact O-CA 3.36Å; R441-T454 VanDerWaalsContact O-CB 3.27Å; R441-T454 WeakPolarHBondContact O-CB 3.31Å; R441-T454 PolarHBondContact O-OG1 2.87Å; R441-D455 IonicContact CZ-OD2 3.06Å; R441-D455 PolarHBondContact N-OD1 2.84Å; R441-D455 IonicContact NE-OD2 3.72Å; R441-D455 PolarHBondContact NE-OD2 2.98Å; R441-D455 IonicContact NH2-OD2 2.97Å; R441-D455 PolarHBondContact NH2-OD2 3.37Å; R441-D455 VanDerWaalsContact NH2-OD2 3.13Å; R441-D455 PolarHBondContact O-N 2.89Å
442	V	97.2	Very high	95.2	Very high	8 Å²	8	30.1 Å²	30.1	5%	0.048	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	143.1	177.9	63.9	0	0	0	0	110.6	Y432 L435 L436 L452 K453	Y432-V442 HydrophobicContact CD1-CG1 4.43Å; Y432-V442 HydrophobicContact CD1-CG2 3.69Å; Y432-V442 HydrophobicContact CD2-CG1 3.87Å; Y432-V442 HydrophobicContact CD2-CG2 4.27Å; Y432-V442 HydrophobicContact CE1-CG2 3.65Å; Y432-V442 HydrophobicContact CE2-CG1 4.39Å; Y432-V442 HydrophobicContact CE2-CG2 4.25Å; Y432-V442 HydrophobicContact CG-CG1 3.89Å; Y432-V442 HydrophobicContact CG-CG2 4.01Å; L435-V442 HydrophobicContact CB-CB 4.38Å; L435-V442 HydrophobicContact CD1-CB 4.05Å; L435-V442 HydrophobicContact CD1-CG2 3.7Å; L436-V442 HydrophobicContact CD1-CG1 4.02Å; L436-V442 HydrophobicContact CD2-CG1 3.94Å; L436-V442 HydrophobicContact CG-CG1 3.76Å; V442-L452 HydrophobicContact CG2-CD1 3.43Å; V442-L452 VanDerWaalsContact CG2-CD1 3.43Å; V442-K453 CarbonylContact C-O 3.47Å; V442-K453 VanDerWaalsContact CA-O 3.25Å; V442-K453 WeakPolarHBondContact CA-O 3.41Å; V442-K453 WeakPolarHBondContact CG2-O 3.39Å
443	S	95.5	Very high	95.2	Very high	7 Å²	7	29.8 Å²	29.8	5%	0.049	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	168.9	166.8	77.5	0	0	0	0	110.5	E404 L405 Y432 K453	E404-S443 WeakPolarHBondContact CA-OG 3.49Å; L405-S443 PolarHBondContact N-OG 2.98Å; L405-S443 VanDerWaalsContact N-OG 3.1Å; Y432-S443 VanDerWaalsContact OH-C 3.29Å; S443-K453 PolarHBondContact N-O 2.92Å; S443-K453 PolarHBondContact O-N 3.11Å
444	C	92.9	Very high	95.1	Very high	5 Å²	5	30 Å²	30	3%	0.034	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	167.2	157.7	55.2	0	0	0	0	110	V400 Y432 R572	V400-C444 VanDerWaalsContact CG1-SG 3.57Å; Y432-C444 PolarHBondContact OH-N 2.91Å; Y432-C444 VanDerWaalsContact OH-N 3.07Å; C444-R572 PolarHBondContact SG-NH2 3.06Å
445	S	93.7	Very high	95.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	142.5	160.5	178.8	0	0	0	0	110	E216 E404 Y411 A447 D448 S451 Y573	E216-S445 PolarHBondContact OE2-OG 3.44Å; E404-S445 WeakPolarHBondContact OE2-CA 3.42Å; Y411-S445 WeakPolarHBondContact CD1-OG 3.41Å; Y411-S445 WeakPolarHBondContact CE1-OG 3.35Å; S445-A447 PolarHBondContact O-N 2.69Å; S445-A447 WeakPolarHBondContact OG-CB 3.38Å; S445-A447 PolarHBondContact OG-N 3.07Å; S445-A447 VanDerWaalsContact OG-N 3.12Å; S445-D448 VanDerWaalsContact O-O 3.1Å; S445-S451 WeakPolarHBondContact CA-OG 3.4Å; S445-S451 WeakPolarHBondContact CB-OG 3.4Å; S445-S451 PolarHBondContact N-OG 3.21Å; S445-S451 PolarHBondContact O-OG 3.15Å; S445-Y573 PolarHBondContact O-OH 2.81Å
446	H	93.2	Very high	95.1	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.014	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.3	169.7	73.6	-77.2	0	0	0	113	L219 S242 L243 H327 V400 A401 E404	L219-H446 WeakPolarHBondContact CD1-NE2 3.32Å; S242-H446 PolarHBondContact O-NE2 3.35Å; L243-H446 VanDerWaalsContact CD2-CD2 3.46Å; L243-H446 WeakPolarHBondContact CD2-CD2 3.49Å; H327-H446 AromaticContact CE1-CE1 3.61Å; H327-H446 AromaticContact CE1-ND1 3.96Å; H327-H446 AromaticContact CE1-NE2 3.87Å; H327-H446 AromaticContact NE2-CE1 3.23Å; H327-H446 PolarHBondContact NE2-CE1 2.97Å; H327-H446 AromaticContact NE2-ND1 3.31Å; H327-H446 PolarHBondContact NE2-ND1 2.87Å; H327-H446 AromaticContact NE2-NE2 3.92Å; V400-H446 HydrophobicContact CB-CB 4.2Å; V400-H446 VanDerWaalsContact CG1-CA 3.49Å; V400-H446 HydrophobicContact CG1-CB 3.78Å; A401-H446 HydrophobicContact CB-CB 4.32Å; E404-H446 IonicContact OE1-ND1 3.52Å; E404-H446 IonicContact OE2-CE1 2.74Å; E404-H446 IonicContact OE2-CG 2.69Å; E404-H446 PolarHBondContact OE2-N 3.19Å; E404-H446 IonicContact OE2-ND1 2.85Å; E404-H446 PolarHBondContact OE2-ND1 2.75Å
447	A	92.3	Very high	95.1	Very high	12 Å²	12	35.4 Å²	35.4	10%	0.099	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-16.3	-174.3	0	0	0	0	0	114.4	H215 E216 Y411 S445	H215-A447 HydrophobicContact CB-CB 4.01Å; E216-A447 HydrophobicContact CB-CB 4.42Å; Y411-A447 HydrophobicContact CE1-CB 3.97Å; S445-A447 PolarHBondContact O-N 2.69Å; S445-A447 WeakPolarHBondContact OG-CB 3.38Å; S445-A447 PolarHBondContact OG-N 3.07Å; S445-A447 VanDerWaalsContact OG-N 3.12Å
448	D	90.4	Very high	95	Very high	42 Å²	42	33.9 Å²	33.9	23%	0.225	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	144.6	177.9	-162.2	-59.2	0	0	0	112.1	Y411 I413 S445 N450 S451 Y573	Y411-D448 HydrophobicContact CE2-CB 3.93Å; I413-D448 HydrophobicContact CD1-CB 3.94Å; I413-D448 VanDerWaalsContact CD1-CG 3.46Å; S445-D448 VanDerWaalsContact O-O 3.1Å; D448-N450 PolarHBondContact OD1-N 3.01Å; D448-S451 VanDerWaalsContact O-CB 3.32Å; D448-S451 WeakPolarHBondContact O-CB 3.41Å; D448-S451 PolarHBondContact O-OG 3.36Å; D448-Y573 VanDerWaalsContact O-CE1 3.27Å; D448-Y573 WeakPolarHBondContact O-CE1 3.46Å; D448-Y573 PolarHBondContact O-OH 3.46Å; D448-Y573 VanDerWaalsContact O-OH 3.13Å
449	K	86.1	Confident	94.9	Very high	133 Å²	133	35 Å²	35	58%	0.578	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	-32	-177.7	63	173.3	-174.1	178.4	0	114.6	S451 Y573	K449-S451 VanDerWaalsContact C-N 3.31Å; K449-Y573 HydrophobicContact CB-CD1 4.14Å; K449-Y573 HydrophobicContact CB-CD2 3.62Å; K449-Y573 HydrophobicContact CB-CE1 4.38Å; K449-Y573 HydrophobicContact CB-CE2 3.92Å; K449-Y573 HydrophobicContact CB-CG 3.76Å
450	N	89.1	Confident	95	Very high	50 Å²	50	27.9 Å²	27.9	27%	0.267	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	30.3	-176.5	-68.6	-7	0	0	0	110.4	I413 T414 D415 D448	I413-N450 WeakPolarHBondContact CA-O 3.26Å; T414-N450 PolarHBondContact N-O 3.48Å; T414-N450 PolarHBondContact OG1-O 3.41Å; D415-N450 VanDerWaalsContact CG-ND2 3.32Å; D415-N450 PolarHBondContact OD1-ND2 2.97Å; D415-N450 VanDerWaalsContact OD1-ND2 3.16Å; D415-N450 PolarHBondContact OD2-ND2 3.07Å; D448-N450 PolarHBondContact OD1-N 3.01Å
451	S	93.9	Very high	94.9	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.042	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	145.4	-176.7	58.4	0	0	0	0	112.5	Y412 S445 D448 K449	Y412-S451 CarbonylContact O-C 3.58Å; Y412-S451 WeakPolarHBondContact O-CA 3.47Å; S445-S451 WeakPolarHBondContact CA-OG 3.4Å; S445-S451 WeakPolarHBondContact CB-OG 3.4Å; S445-S451 PolarHBondContact N-OG 3.21Å; S445-S451 PolarHBondContact O-OG 3.15Å; D448-S451 VanDerWaalsContact O-CB 3.32Å; D448-S451 WeakPolarHBondContact O-CB 3.41Å; D448-S451 PolarHBondContact O-OG 3.36Å; K449-S451 VanDerWaalsContact C-N 3.31Å
452	L	95.9	Very high	94.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	112.3	173.9	179.3	76.8	0	0	0	109.2	Y411 Y412 T414 L431 Y432 L435 V442 V461	Y411-L452 WeakPolarHBondContact CA-O 3.33Å; Y411-L452 WeakPolarHBondContact CB-O 3.35Å; Y412-L452 HydrophobicContact CD2-CD2 4.48Å; Y412-L452 PolarHBondContact N-O 2.97Å; Y412-L452 PolarHBondContact O-N 3.11Å; T414-L452 HydrophobicContact CG2-CB 4.13Å; L431-L452 HydrophobicContact CD2-CD1 4.2Å; L431-L452 HydrophobicContact CD2-CD2 3.93Å; L431-L452 HydrophobicContact CG-CD1 4.36Å; L431-L452 HydrophobicContact CG-CD2 4.35Å; Y432-L452 HydrophobicContact CD1-CD1 4.07Å; Y432-L452 HydrophobicContact CE1-CD1 3.67Å; L435-L452 HydrophobicContact CD1-CD1 3.79Å; L435-L452 HydrophobicContact CD1-CD2 4.21Å; L435-L452 HydrophobicContact CD1-CG 4.38Å; V442-L452 HydrophobicContact CG2-CD1 3.43Å; V442-L452 VanDerWaalsContact CG2-CD1 3.43Å; L452-V461 HydrophobicContact CD2-CG1 4.34Å
453	K	97.1	Very high	94.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.7	166.6	-71.3	-158.5	173.3	-160.4	0	109.8	E216 E404 L405 V408 L410 V442 S443	E216-K453 IonicContact OE1-NZ 3.36Å; E216-K453 PolarHBondContact OE1-NZ 3.45Å; E216-K453 WeakPolarHBondContact OE2-CE 3.48Å; E216-K453 IonicContact OE2-NZ 2.81Å; E216-K453 PolarHBondContact OE2-NZ 3.09Å; E404-K453 HydrophobicContact CG-CD 3.72Å; E404-K453 WeakPolarHBondContact OE1-CE 3.42Å; E404-K453 IonicContact OE1-NZ 3.21Å; E404-K453 PolarHBondContact OE1-NZ 2.65Å; L405-K453 HydrophobicContact CD1-CB 4.47Å; V408-K453 PolarHBondContact O-NZ 3.06Å; L410-K453 VanDerWaalsContact O-CE 3.23Å; L410-K453 WeakPolarHBondContact O-CE 3.32Å; L410-K453 WeakPolarHBondContact O-CG 3.49Å; V442-K453 CarbonylContact C-O 3.47Å; V442-K453 VanDerWaalsContact CA-O 3.25Å; V442-K453 WeakPolarHBondContact CA-O 3.41Å; V442-K453 WeakPolarHBondContact CG2-O 3.39Å; S443-K453 PolarHBondContact N-O 2.92Å; S443-K453 PolarHBondContact O-N 3.11Å
454	T	98.1	Very high	95	Very high	4 Å²	4	22 Å²	22	3%	0.025	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	151.1	176.9	-176.7	0	0	0	0	110.3	V408 Y412 L435 R441 A456 V461	V408-T454 WeakPolarHBondContact CG1-O 3.32Å; Y412-T454 HydrophobicContact CE2-CG2 4.38Å; L435-T454 HydrophobicContact CD1-CG2 4.41Å; L435-T454 HydrophobicContact CD2-CG2 4.38Å; R441-T454 WeakPolarHBondContact O-CA 3.36Å; R441-T454 VanDerWaalsContact O-CB 3.27Å; R441-T454 WeakPolarHBondContact O-CB 3.31Å; R441-T454 PolarHBondContact O-OG1 2.87Å; T454-A456 VanDerWaalsContact C-N 3.28Å; T454-A456 HydrophobicContact CG2-CB 3.95Å; T454-A456 WeakPolarHBondContact OG1-CB 3.45Å; T454-A456 PolarHBondContact OG1-N 3.36Å; T454-A456 VanDerWaalsContact OG1-N 3.1Å; T454-V461 HydrophobicContact CG2-CG2 3.8Å
455	D	97.8	Very high	95.2	Very high	64 Å²	64	21.8 Å²	21.8	34%	0.342	12%	0.119	S	C	.	.	S	Bend	trans	-86.8	2.2	168.8	57.2	4.7	0	0	0	112.9	V408 R441	V408-D455 HydrophobicContact CG2-CB 4.09Å; R441-D455 IonicContact CZ-OD2 3.06Å; R441-D455 PolarHBondContact N-OD1 2.84Å; R441-D455 IonicContact NE-OD2 3.72Å; R441-D455 PolarHBondContact NE-OD2 2.98Å; R441-D455 IonicContact NH2-OD2 2.97Å; R441-D455 PolarHBondContact NH2-OD2 3.37Å; R441-D455 VanDerWaalsContact NH2-OD2 3.13Å; R441-D455 PolarHBondContact O-N 2.89Å
456	A	98.1	Very high	95.3	Very high	7 Å²	7	22.4 Å²	22.4	6%	0.058	12%	0.122	C	C	.	.	S	Bend	trans	-61.4	139.8	173.6	0	0	0	0	0	111.8	L435 Y440 T454 F460 V461	L435-A456 HydrophobicContact CD2-CB 3.68Å; Y440-A456 VanDerWaalsContact CD1-CA 3.42Å; Y440-A456 HydrophobicContact CD1-CB 3.77Å; Y440-A456 HydrophobicContact CD2-CB 3.65Å; Y440-A456 HydrophobicContact CE1-CB 4.19Å; Y440-A456 HydrophobicContact CE2-CB 4.08Å; Y440-A456 HydrophobicContact CG-CB 3.48Å; Y440-A456 VanDerWaalsContact CG-CB 3.48Å; T454-A456 VanDerWaalsContact C-N 3.28Å; T454-A456 HydrophobicContact CG2-CB 3.95Å; T454-A456 WeakPolarHBondContact OG1-CB 3.45Å; T454-A456 PolarHBondContact OG1-N 3.36Å; T454-A456 VanDerWaalsContact OG1-N 3.1Å; A456-F460 HydrophobicContact CB-CD1 4.15Å; A456-V461 HydrophobicContact CB-CG2 4.21Å
457	P	96.5	Very high	95.4	Very high	62 Å²	62	23.3 Å²	23.3	40%	0.403	13%	0.129	S	C	.	.			trans	-53.6	142.7	167.9	-24.6	33.7	0	0	0	110.9	Y440 S459 F460 V461	Y440-P457 VanDerWaalsContact CE1-CD 3.41Å; Y440-P457 HydrophobicContact CE1-CG 4.49Å; Y440-P457 VanDerWaalsContact CZ-CD 3.48Å; Y440-P457 WeakPolarHBondContact OH-CD 3.4Å; P457-S459 PolarHBondContact O-N 2.93Å; P457-S459 VanDerWaalsContact O-N 3.15Å; P457-F460 WeakPolarHBondContact O-CB 3.34Å; P457-F460 PolarHBondContact O-N 3.29Å; P457-V461 PolarHBondContact O-N 3.19Å
458	H	96.4	Very high	95.6	Very high	18 Å²	18	23.4 Å²	23.4	8%	0.083	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-33.1	-178.2	-176.2	64.5	0	0	0	112.8	C278 A280 Y412 F460 V461 L462	C278-H458 PolarHBondContact O-CE1 3.45Å; C278-H458 PolarHBondContact O-NE2 3.16Å; A280-H458 VanDerWaalsContact CA-CD2 3.47Å; A280-H458 WeakPolarHBondContact CA-CD2 3.43Å; A280-H458 WeakPolarHBondContact CA-NE2 3.39Å; A280-H458 WeakPolarHBondContact CB-CD2 3.44Å; A280-H458 PolarHBondContact N-CE1 3.19Å; A280-H458 PolarHBondContact N-NE2 3.02Å; Y412-H458 AromaticContact CE1-CE1 3.72Å; Y412-H458 AromaticContact CE1-ND1 3.32Å; Y412-H458 VanDerWaalsContact CE1-ND1 3.32Å; Y412-H458 WeakPolarHBondContact CE1-ND1 3.41Å; Y412-H458 AromaticContact CZ-ND1 3.4Å; Y412-H458 PolarHBondContact OH-ND1 3.12Å; Y412-H458 VanDerWaalsContact OH-ND1 3.12Å; H458-F460 VanDerWaalsContact C-N 3.28Å; H458-F460 PolarHBondContact O-N 3.37Å; H458-V461 WeakPolarHBondContact O-CB 3.39Å; H458-V461 PolarHBondContact O-N 3.35Å; H458-L462 WeakPolarHBondContact NE2-CD1 3.43Å; H458-L462 WeakPolarHBondContact O-CG 3.4Å; H458-L462 PolarHBondContact O-N 2.89Å
459	S	96.4	Very high	95.7	Very high	43 Å²	43	22 Å²	22	30%	0.301	12%	0.12	S	C	.	.	H	α-helix	trans	-55.2	-42.3	172.8	51.4	0	0	0	0	112.5	P457 L462 D463 R466	P457-S459 PolarHBondContact O-N 2.93Å; P457-S459 VanDerWaalsContact O-N 3.15Å; S459-L462 CarbonylContact O-C 3.55Å; S459-L462 WeakPolarHBondContact O-CB 3.37Å; S459-L462 PolarHBondContact O-N 3.48Å; S459-D463 VanDerWaalsContact O-CG 3.3Å; S459-D463 PolarHBondContact O-N 3.23Å; S459-D463 VanDerWaalsContact O-OD2 3.13Å; S459-R466 PolarHBondContact O-NH2 2.98Å
460	F	98	Very high	96.1	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.009	11%	0.108	C	C	.	.	H	α-helix	trans	-70.2	-39	177.4	-169.4	-93.9	0	0	0	112.2	L435 A438 Y440 A456 P457 H458 L462 D463 C464 N550 S552 V553	L435-F460 HydrophobicContact CD2-CD1 3.92Å; L435-F460 HydrophobicContact CD2-CE1 4.04Å; A438-F460 HydrophobicContact CB-CE1 3.77Å; A438-F460 HydrophobicContact CB-CE2 3.94Å; A438-F460 HydrophobicContact CB-CZ 3.27Å; Y440-F460 AromaticContact CD2-CD1 3.72Å; Y440-F460 HydrophobicContact CD2-CD1 3.72Å; Y440-F460 AromaticContact CD2-CE1 3.79Å; Y440-F460 HydrophobicContact CD2-CE1 3.79Å; Y440-F460 HydrophobicContact CD2-CG 4.31Å; Y440-F460 HydrophobicContact CD2-CZ 4.44Å; Y440-F460 HydrophobicContact CE2-CB 4.32Å; Y440-F460 AromaticContact CE2-CD1 3.56Å; Y440-F460 HydrophobicContact CE2-CD1 3.56Å; Y440-F460 HydrophobicContact CE2-CD2 4.05Å; Y440-F460 AromaticContact CE2-CE1 3.84Å; Y440-F460 HydrophobicContact CE2-CE1 3.84Å; Y440-F460 HydrophobicContact CE2-CE2 4.3Å; Y440-F460 AromaticContact CE2-CG 3.68Å; Y440-F460 HydrophobicContact CE2-CG 3.68Å; Y440-F460 HydrophobicContact CE2-CZ 4.21Å; A456-F460 HydrophobicContact CB-CD1 4.15Å; P457-F460 WeakPolarHBondContact O-CB 3.34Å; P457-F460 PolarHBondContact O-N 3.29Å; H458-F460 VanDerWaalsContact C-N 3.28Å; H458-F460 PolarHBondContact O-N 3.37Å; F460-L462 VanDerWaalsContact C-N 3.26Å; F460-L462 PolarHBondContact O-N 3.37Å; F460-D463 WeakPolarHBondContact O-CA 3.15Å; F460-D463 WeakPolarHBondContact O-CB 3.32Å; F460-D463 PolarHBondContact O-N 3.35Å; F460-C464 PolarHBondContact O-N 2.99Å; F460-N550 HydrophobicContact CD2-CB 4.09Å; F460-N550 HydrophobicContact CE2-CB 4.22Å; F460-S552 WeakPolarHBondContact CE2-OG 3.04Å; F460-V553 HydrophobicContact CD2-CG2 4.4Å; F460-V553 HydrophobicContact CE2-CG2 3.67Å; F460-V553 HydrophobicContact CZ-CG2 3.83Å
461	V	97.7	Very high	96.2	Very high	1 Å²	1	20 Å²	20	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-57.6	-44.3	171.5	179.1	0	0	0	0	110.1	Y412 L417 L452 T454 A456 P457 H458 D463 C464 F465	Y412-V461 HydrophobicContact CD2-CG1 4.4Å; Y412-V461 HydrophobicContact CE2-CG1 4.45Å; Y412-V461 HydrophobicContact CE2-CG2 4.11Å; L417-V461 HydrophobicContact CD1-CG1 3.81Å; L452-V461 HydrophobicContact CD2-CG1 4.34Å; T454-V461 HydrophobicContact CG2-CG2 3.8Å; A456-V461 HydrophobicContact CB-CG2 4.21Å; P457-V461 PolarHBondContact O-N 3.19Å; H458-V461 WeakPolarHBondContact O-CB 3.39Å; H458-V461 PolarHBondContact O-N 3.35Å; V461-D463 VanDerWaalsContact C-N 3.33Å; V461-D463 PolarHBondContact O-N 3.23Å; V461-C464 PolarHBondContact O-N 3.07Å; V461-F465 HydrophobicContact CG1-CE2 4.45Å; V461-F465 WeakPolarHBondContact O-CD2 3.42Å; V461-F465 PolarHBondContact O-N 3.27Å
462	L	97.1	Very high	96	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.4	-34.1	175	-64.5	173.4	0	0	0	112.6	E310 F421 H458 S459 F460 F465 R466 L544	E310-L462 HydrophobicContact CB-CD1 3.84Å; E310-L462 HydrophobicContact CG-CD1 3.74Å; F421-L462 HydrophobicContact CE2-CD2 3.69Å; F421-L462 HydrophobicContact CZ-CB 4.12Å; F421-L462 HydrophobicContact CZ-CD2 3.8Å; H458-L462 WeakPolarHBondContact NE2-CD1 3.43Å; H458-L462 WeakPolarHBondContact O-CG 3.4Å; H458-L462 PolarHBondContact O-N 2.89Å; S459-L462 CarbonylContact O-C 3.55Å; S459-L462 WeakPolarHBondContact O-CB 3.37Å; S459-L462 PolarHBondContact O-N 3.48Å; F460-L462 VanDerWaalsContact C-N 3.26Å; F460-L462 PolarHBondContact O-N 3.37Å; L462-F465 PolarHBondContact O-N 2.93Å; L462-R466 WeakPolarHBondContact O-CG 3.45Å; L462-R466 PolarHBondContact O-N 3.46Å; L462-R466 PolarHBondContact O-NE 3.32Å; L462-L544 HydrophobicContact CD1-CD2 3.89Å
463	D	97.6	Very high	95.7	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.053	14%	0.14	C	C	.	.	H	α-helix	trans	-62.5	-43.1	174.2	-70.8	-47.9	0	0	0	111.5	S459 F460 V461 F465 R466 S467 I549 N550 V553	S459-D463 VanDerWaalsContact O-CG 3.3Å; S459-D463 PolarHBondContact O-N 3.23Å; S459-D463 VanDerWaalsContact O-OD2 3.13Å; F460-D463 WeakPolarHBondContact O-CA 3.15Å; F460-D463 WeakPolarHBondContact O-CB 3.32Å; F460-D463 PolarHBondContact O-N 3.35Å; V461-D463 VanDerWaalsContact C-N 3.33Å; V461-D463 PolarHBondContact O-N 3.23Å; D463-F465 VanDerWaalsContact C-N 3.31Å; D463-F465 PolarHBondContact O-N 3.04Å; D463-R466 PolarHBondContact O-N 3.08Å; D463-R466 IonicContact OD1-CZ 3.81Å; D463-R466 IonicContact OD1-NE 2.64Å; D463-R466 IonicContact OD1-NH1 3.2Å; D463-R466 PolarHBondContact OD1-NH1 3.14Å; D463-R466 IonicContact OD1-NH2 3.44Å; D463-R466 PolarHBondContact OD1-NH2 3.46Å; D463-R466 IonicContact OD2-NH2 3.53Å; D463-S467 WeakPolarHBondContact O-CB 3.39Å; D463-S467 PolarHBondContact O-N 3.24Å; D463-I549 HydrophobicContact CB-CG2 4.31Å; D463-I549 WeakPolarHBondContact OD1-CA 3.43Å; D463-N550 HydrophobicContact CB-CB 4.4Å; D463-N550 PolarHBondContact OD1-N 3.37Å; D463-N550 WeakPolarHBondContact OD2-CB 3.5Å; D463-V553 HydrophobicContact CB-CG2 3.74Å
464	C	97.6	Very high	95.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.5	-44	174.8	-71.6	0	0	0	0	111.3	L431 C434 F460 V461 H468 F555	L431-C464 HydrophobicContact CD1-CB 3.91Å; C434-C464 HydrophobicContact CB-CB 4.12Å; C434-C464 WeakPolarHBondContact CB-SG 3.43Å; C434-C464 WeakPolarHBondContact SG-CB 3.38Å; C434-C464 CovalentContact SG-SG 2.06Å; C434-C464 PolarHBondContact SG-SG 2.85Å; F460-C464 PolarHBondContact O-N 2.99Å; V461-C464 PolarHBondContact O-N 3.07Å; C464-H468 WeakPolarHBondContact O-CB 3.24Å; C464-H468 PolarHBondContact O-N 3.45Å; C464-F555 WeakPolarHBondContact O-CZ 3.03Å
465	F	96.9	Very high	94.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-70.9	-34.7	178.4	-81.3	-100	0	0	0	113.1	L417 A418 F421 P426 L431 V461 L462 D463 H468 C469	L417-F465 HydrophobicContact CB-CD1 4.08Å; L417-F465 HydrophobicContact CB-CD2 4.29Å; L417-F465 HydrophobicContact CB-CE1 3.61Å; L417-F465 HydrophobicContact CB-CE2 3.86Å; L417-F465 HydrophobicContact CB-CG 4.39Å; L417-F465 HydrophobicContact CB-CZ 3.49Å; L417-F465 VanDerWaalsContact CB-CZ 3.49Å; L417-F465 HydrophobicContact CD1-CD2 4.28Å; L417-F465 HydrophobicContact CD1-CE2 3.55Å; L417-F465 HydrophobicContact CD1-CZ 3.81Å; L417-F465 HydrophobicContact CG-CE2 4.35Å; L417-F465 HydrophobicContact CG-CZ 4.32Å; A418-F465 HydrophobicContact CB-CD1 4.43Å; A418-F465 HydrophobicContact CB-CE1 4.03Å; F421-F465 HydrophobicContact CD2-CB 3.56Å; F421-F465 HydrophobicContact CD2-CD1 4.41Å; F421-F465 HydrophobicContact CD2-CG 4.26Å; F421-F465 HydrophobicContact CE2-CB 3.48Å; F421-F465 VanDerWaalsContact CE2-CB 3.48Å; F421-F465 HydrophobicContact CE2-CG 4.3Å; F421-F465 HydrophobicContact CG-CB 4.35Å; F421-F465 HydrophobicContact CZ-CB 4.22Å; P426-F465 HydrophobicContact CG-CD1 4.14Å; P426-F465 HydrophobicContact CG-CE1 3.86Å; P426-F465 HydrophobicContact CG-CZ 4.2Å; L431-F465 HydrophobicContact CD1-CD2 4.5Å; L431-F465 HydrophobicContact CD1-CE2 4.01Å; L431-F465 HydrophobicContact CD2-CE2 4.08Å; L431-F465 HydrophobicContact CD2-CZ 4.11Å; V461-F465 HydrophobicContact CG1-CE2 4.45Å; V461-F465 WeakPolarHBondContact O-CD2 3.42Å; V461-F465 PolarHBondContact O-N 3.27Å; L462-F465 PolarHBondContact O-N 2.93Å; D463-F465 VanDerWaalsContact C-N 3.31Å; D463-F465 PolarHBondContact O-N 3.04Å; F465-H468 PolarHBondContact O-N 3.12Å; F465-C469 PolarHBondContact O-N 3.06Å; F465-C469 PolarHBondContact O-SG 3Å
466	R	95.3	Very high	94	Very high	13 Å²	13	40 Å²	40	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-51.4	172.2	-78.3	176.3	-100.4	159.7	3.5	111.6	F421 S459 L462 D463 H468 C469 D470 L544 R547 P548 I549	F421-R466 HydrophobicContact CD1-CG 4.27Å; F421-R466 HydrophobicContact CE1-CG 3.46Å; F421-R466 VanDerWaalsContact CE1-CG 3.46Å; F421-R466 HydrophobicContact CZ-CG 3.96Å; S459-R466 PolarHBondContact O-NH2 2.98Å; L462-R466 WeakPolarHBondContact O-CG 3.45Å; L462-R466 PolarHBondContact O-N 3.46Å; L462-R466 PolarHBondContact O-NE 3.32Å; D463-R466 PolarHBondContact O-N 3.08Å; D463-R466 IonicContact OD1-CZ 3.81Å; D463-R466 IonicContact OD1-NE 2.64Å; D463-R466 IonicContact OD1-NH1 3.2Å; D463-R466 PolarHBondContact OD1-NH1 3.14Å; D463-R466 IonicContact OD1-NH2 3.44Å; D463-R466 PolarHBondContact OD1-NH2 3.46Å; D463-R466 IonicContact OD2-NH2 3.53Å; R466-H468 VanDerWaalsContact C-N 3.26Å; R466-H468 PolarHBondContact O-N 3.49Å; R466-C469 WeakPolarHBondContact O-CA 3.11Å; R466-C469 VanDerWaalsContact O-CB 3.27Å; R466-C469 WeakPolarHBondContact O-CB 3.11Å; R466-C469 PolarHBondContact O-N 3.36Å; R466-D470 PolarHBondContact O-N 3.4Å; R466-L544 VanDerWaalsContact CD-O 3.28Å; R466-L544 WeakPolarHBondContact CD-O 3.32Å; R466-R547 PolarHBondContact NH1-O 2.89Å; R466-P548 PolarHBondContact NH1-O 3.37Å; R466-I549 HydrophobicContact CB-CD1 4Å; R466-I549 HydrophobicContact CB-CG1 3.97Å
467	S	95.8	Very high	93.4	Very high	23 Å²	23	45.1 Å²	45.1	16%	0.161	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-36	178.5	-179.1	0	0	0	0	112	D463 D470 R471 F555	D463-S467 WeakPolarHBondContact O-CB 3.39Å; D463-S467 PolarHBondContact O-N 3.24Å; S467-D470 PolarHBondContact O-N 3.34Å; S467-R471 WeakPolarHBondContact O-CG 3.48Å; S467-R471 PolarHBondContact O-N 3.39Å; S467-F555 WeakPolarHBondContact OG-CE2 3.37Å
468	H	95.9	Very high	92.5	Very high	14 Å²	14	50.1 Å²	50.1	7%	0.065	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-41.2	171.2	179.6	71.3	0	0	0	113.2	T424 P426 C464 F465 R466 D470 R471 I472 F555	T424-H468 PolarHBondContact O-CD2 3.08Å; T424-H468 PolarHBondContact O-NE2 3.42Å; T424-H468 PolarHBondContact OG1-NE2 3.48Å; P426-H468 HydrophobicContact CG-CB 4.16Å; C464-H468 WeakPolarHBondContact O-CB 3.24Å; C464-H468 PolarHBondContact O-N 3.45Å; F465-H468 PolarHBondContact O-N 3.12Å; R466-H468 VanDerWaalsContact C-N 3.26Å; R466-H468 PolarHBondContact O-N 3.49Å; H468-D470 VanDerWaalsContact C-N 3.3Å; H468-D470 PolarHBondContact O-N 2.88Å; H468-R471 PolarHBondContact O-N 3.39Å; H468-I472 WeakPolarHBondContact NE2-CD1 3.47Å; H468-I472 WeakPolarHBondContact O-CG1 3.39Å; H468-I472 PolarHBondContact O-N 3.18Å; H468-I472 VanDerWaalsContact O-N 3.12Å; H468-F555 HydrophobicContact CB-CZ 4.13Å
469	C	93.3	Very high	91	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-42	174.1	-64.1	0	0	0	0	111.7	C423 F465 R466 I472 K473	C423-C469 WeakPolarHBondContact CB-SG 3.44Å; C423-C469 VanDerWaalsContact SG-SG 3.61Å; F465-C469 PolarHBondContact O-N 3.06Å; F465-C469 PolarHBondContact O-SG 3Å; R466-C469 WeakPolarHBondContact O-CA 3.11Å; R466-C469 VanDerWaalsContact O-CB 3.27Å; R466-C469 WeakPolarHBondContact O-CB 3.11Å; R466-C469 PolarHBondContact O-N 3.36Å; C469-I472 PolarHBondContact O-N 3.45Å; C469-K473 PolarHBondContact O-N 3.22Å
470	D	92.7	Very high	89.5	Confident	62 Å²	62	58.5 Å²	58.5	33%	0.332	28%	0.281	S	S	.	.	H	α-helix	trans	-68.6	-41.8	-179.8	-66.2	-17.5	0	0	0	111.3	R466 S467 H468 I472 K473 H474 I549	R466-D470 PolarHBondContact O-N 3.4Å; S467-D470 PolarHBondContact O-N 3.34Å; H468-D470 VanDerWaalsContact C-N 3.3Å; H468-D470 PolarHBondContact O-N 2.88Å; D470-I472 VanDerWaalsContact C-N 3.31Å; D470-I472 PolarHBondContact O-N 3.33Å; D470-K473 PolarHBondContact O-N 2.99Å; D470-H474 PolarHBondContact O-CD2 2.87Å; D470-H474 PolarHBondContact O-N 3.35Å; D470-I549 VanDerWaalsContact OD2-CD1 3.26Å; D470-I549 WeakPolarHBondContact OD2-CD1 3.42Å
471	R	92.4	Very high	87.3	Confident	79 Å²	79	64.8 Å²	64.8	30%	0.298	31%	0.314	S	S	.	.	H	α-helix	trans	-54	-45.3	172	-75.2	172.5	67.3	-152.3	-0.1	112.1	D430 S467 H468 H474 K475	D430-R471 IonicContact OD2-CZ 2.67Å; D430-R471 IonicContact OD2-NH1 3.57Å; D430-R471 PolarHBondContact OD2-NH1 3.23Å; D430-R471 IonicContact OD2-NH2 2.81Å; D430-R471 PolarHBondContact OD2-NH2 3.47Å; S467-R471 WeakPolarHBondContact O-CG 3.48Å; S467-R471 PolarHBondContact O-N 3.39Å; H468-R471 PolarHBondContact O-N 3.39Å; R471-H474 PolarHBondContact O-N 3.47Å; R471-K475 WeakPolarHBondContact O-CG 3.42Å; R471-K475 PolarHBondContact O-N 3.06Å; R471-K475 VanDerWaalsContact O-N 3.08Å
472	I	90.2	Very high	84.8	Confident	45 Å²	45	71.7 Å²	71.7	23%	0.231	35%	0.347	C	S	.	.	H	α-helix	trans	-67.1	-44.1	178.9	-68.4	163.7	0	0	0	111.2	T424 H468 C469 D470 H474 K475 I476	T424-I472 WeakPolarHBondContact OG1-CD1 3.23Å; H468-I472 WeakPolarHBondContact NE2-CD1 3.47Å; H468-I472 WeakPolarHBondContact O-CG1 3.39Å; H468-I472 PolarHBondContact O-N 3.18Å; H468-I472 VanDerWaalsContact O-N 3.12Å; C469-I472 PolarHBondContact O-N 3.45Å; D470-I472 VanDerWaalsContact C-N 3.31Å; D470-I472 PolarHBondContact O-N 3.33Å; I472-H474 VanDerWaalsContact C-N 3.3Å; I472-H474 PolarHBondContact O-N 2.97Å; I472-K475 PolarHBondContact O-N 2.97Å; I472-I476 HydrophobicContact CG2-CD1 3.88Å; I472-I476 HydrophobicContact CG2-CG1 4.49Å; I472-I476 WeakPolarHBondContact O-CG1 3.32Å; I472-I476 PolarHBondContact O-N 2.65Å
473	K	88.9	Confident	82	Confident	104 Å²	104	76.3 Å²	76.3	45%	0.452	38%	0.379	S	S	.	.	H	α-helix	trans	-59.1	-44.5	178.2	-174.8	-179.1	170.5	-172.9	0	110.8	C469 D470 K475 I476 E477	C469-K473 PolarHBondContact O-N 3.22Å; D470-K473 PolarHBondContact O-N 2.99Å; K473-K475 PolarHBondContact O-N 3.39Å; K473-I476 PolarHBondContact O-N 3.18Å; K473-E477 WeakPolarHBondContact CE-OE1 3.45Å; K473-E477 HydrophobicContact CG-CG 4.47Å; K473-E477 IonicContact NZ-OE1 2.94Å; K473-E477 WeakPolarHBondContact O-CB 3.23Å; K473-E477 WeakPolarHBondContact O-CG 3.48Å; K473-E477 PolarHBondContact O-N 2.8Å
474	H	87.3	Confident	78.9	Confident	112 Å²	112	83.1 Å²	83.1	52%	0.519	42%	0.415	S	S	.	.	H	α-helix	trans	-61.4	-39.8	175.4	-77.9	-60.5	0	0	0	113.1	D470 R471 I472 I476 E477 R478	D470-H474 PolarHBondContact O-CD2 2.87Å; D470-H474 PolarHBondContact O-N 3.35Å; R471-H474 PolarHBondContact O-N 3.47Å; I472-H474 VanDerWaalsContact C-N 3.3Å; I472-H474 PolarHBondContact O-N 2.97Å; H474-I476 VanDerWaalsContact C-N 3.33Å; H474-I476 PolarHBondContact O-N 2.81Å; H474-E477 PolarHBondContact O-N 2.85Å; H474-R478 PolarHBondContact O-N 3.44Å
475	K	85.9	Confident	75.8	Confident	102 Å²	102	90.5 Å²	90.5	44%	0.443	46%	0.455	S	S	.	.	H	α-helix	trans	-64	-35.8	175.3	-74.3	178.2	-179.2	-106.4	0	113.1	R471 I472 K473 E482	R471-K475 WeakPolarHBondContact O-CG 3.42Å; R471-K475 PolarHBondContact O-N 3.06Å; R471-K475 VanDerWaalsContact O-N 3.08Å; I472-K475 PolarHBondContact O-N 2.97Å; K473-K475 PolarHBondContact O-N 3.39Å; K475-E482 IonicContact NZ-OE1 3.68Å; K475-E482 IonicContact NZ-OE2 3.03Å; K475-E482 PolarHBondContact NZ-OE2 2.88Å
476	I	84.1	Confident	72.6	Confident	132 Å²	132	99.4 Å²	99.4	68%	0.677	50%	0.496	S	S	*	.	H	α-helix	trans	-73.6	-39.9	177.2	-65.1	167.8	0	0	0	111	I472 K473 H474	I472-I476 HydrophobicContact CG2-CD1 3.88Å; I472-I476 HydrophobicContact CG2-CG1 4.49Å; I472-I476 WeakPolarHBondContact O-CG1 3.32Å; I472-I476 PolarHBondContact O-N 2.65Å; K473-I476 PolarHBondContact O-N 3.18Å; H474-I476 VanDerWaalsContact C-N 3.33Å; H474-I476 PolarHBondContact O-N 2.81Å
477	E	85.2	Confident	69.4	Low	115 Å²	115	102.6 Å²	102.6	54%	0.537	53%	0.533	S	S	.	.	H	α-helix	trans	-80	-22.9	-177.7	-70.3	176.5	173	0	0	113.3	K473 H474	K473-E477 WeakPolarHBondContact CE-OE1 3.45Å; K473-E477 HydrophobicContact CG-CG 4.47Å; K473-E477 IonicContact NZ-OE1 2.94Å; K473-E477 WeakPolarHBondContact O-CB 3.23Å; K473-E477 WeakPolarHBondContact O-CG 3.48Å; K473-E477 PolarHBondContact O-N 2.8Å; H474-E477 PolarHBondContact O-N 2.85Å
478	R	77.5	Confident	66.1	Low	166 Å²	166	108.9 Å²	108.9	63%	0.626	57%	0.565	S	S	*	*			trans	-140.8	73.1	-177.2	-62.1	-175.3	-178.9	-172.5	-1.6	111.6	H474 D480 L481	H474-R478 PolarHBondContact O-N 3.44Å; R478-D480 VanDerWaalsContact C-N 3.29Å; R478-D480 PolarHBondContact O-N 2.91Å; R478-L481 HydrophobicContact CB-CD1 4.47Å
479	P	64.2	Low	62.9	Low	90 Å²	90	113.6 Å²	113.6	58%	0.584	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-64.3	-31.5	179.7	23.5	-31.4	0	0	0	113.3	L481	P479-L481 VanDerWaalsContact C-N 3.33Å; P479-L481 PolarHBondContact O-N 3.02Å
480	D	64.8	Low	59.9	Low	147 Å²	147	121.9 Å²	121.9	79%	0.786	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-82.3	7.5	-165.4	-53.8	-36.2	0	0	0	116.2	R478	R478-D480 VanDerWaalsContact C-N 3.29Å; R478-D480 PolarHBondContact O-N 2.91Å
481	L	53.1	Low	56.7	Low	134 Å²	134	125 Å²	125	70%	0.702	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-111.2	-1.5	-172.9	-75.6	168.2	0	0	0	115.9	R478 P479	R478-L481 HydrophobicContact CB-CD1 4.47Å; P479-L481 VanDerWaalsContact C-N 3.33Å; P479-L481 PolarHBondContact O-N 3.02Å
482	E	45.9	Very low	53.5	Low	147 Å²	147	130.5 Å²	130.5	69%	0.687	69%	0.687	S	S	*	*			trans	-110.9	76	166.2	-75.8	-176.6	-178.2	0	0	109.3	K475	K475-E482 IonicContact NZ-OE1 3.68Å; K475-E482 IonicContact NZ-OE2 3.03Å; K475-E482 PolarHBondContact NZ-OE2 2.88Å
483	S	38.2	Very low	50.5	Low	97 Å²	97	135.5 Å²	135.5	68%	0.678	71%	0.713	S	S	*	*			trans	-94.5	128.2	156	53.4	0	0	0	0	107.8
484	N	31.7	Very low	47.4	Very low	152 Å²	152	138 Å²	138	81%	0.813	73%	0.731	S	S	*	*	S	Bend	trans	85	75.5	-176.8	-48.6	-29.7	0	0	0	115.6
485	D	32.6	Very low	44.6	Very low	156 Å²	156	139 Å²	139	83%	0.834	75%	0.745	S	S	*	*	S	Bend		-164.2	121.2	126.4	-100.8	-20.6	0	0	0	112.4
486	E	29.6	Very low	41.8	Very low	187 Å²	187	137.5 Å²	137.5	87%	0.874	75%	0.752	S	S	*	*			trans	52.9	107.9	160	-57.6	-167.9	161.8	0	0	120.5
487	G	27.1	Very low	39.1	Very low	79 Å²	79	136.8 Å²	136.8	81%	0.814	76%	0.759	S	S	*	*			trans	-60.3	129.5	176.5	0	0	0	0	0	114.4
488	N	27.8	Very low	36.3	Very low	155 Å²	155	140.9 Å²	140.9	83%	0.829	78%	0.775	S	S	*	*			trans	-147.7	125.9	141.2	-120.3	-21.7	0	0	0	108.5	E490	N488-E490 PolarHBondContact O-N 3.24Å
489	S	29.3	Very low	33.9	Very low	113 Å²	113	139 Å²	139	79%	0.79	78%	0.781	S	S	*	*			trans	-42.9	123.9	-169.8	52.8	0	0	0	0	114.5
490	E	28.3	Very low	32.4	Very low	186 Å²	186	138.2 Å²	138.2	87%	0.869	78%	0.778	S	S	*	*			trans	-66.2	129	176.6	-64.7	175.4	148.6	0	0	111.2	N488	N488-E490 PolarHBondContact O-N 3.24Å
491	T	26.4	Very low	30.9	Very low	126 Å²	126	136.8 Å²	136.8	77%	0.773	77%	0.774	S	S	*	*			trans	-104.6	113.4	154.8	11.5	0	0	0	0	106.5	I493	T491-I493 PolarHBondContact O-N 3.27Å; T491-I493 VanDerWaalsContact O-N 3.16Å
492	E	25.2	Very low	29.7	Very low	196 Å²	196	140.8 Å²	140.8	92%	0.916	78%	0.78	S	S	*	*			trans	-56.4	113.6	176.6	-72.1	178.2	140.7	0	0	110.5
493	I	27.5	Very low	29.3	Very low	149 Å²	149	137.4 Å²	137.4	76%	0.764	77%	0.773	S	S	*	*			trans	-96.1	103	174.5	-61	177.7	0	0	0	108.5	T491 V495	T491-I493 PolarHBondContact O-N 3.27Å; T491-I493 VanDerWaalsContact O-N 3.16Å; I493-V495 PolarHBondContact O-N 3.38Å
494	N	24.5	Very low	29.2	Very low	156 Å²	156	142.3 Å²	142.3	83%	0.834	78%	0.776	S	S	*	*			trans	-69.2	105.9	173.1	-142.5	-30.6	0	0	0	109.8	A496	N494-A496 VanDerWaalsContact C-N 3.27Å; N494-A496 PolarHBondContact O-N 3.48Å
495	V	27.3	Very low	29.3	Very low	134 Å²	134	145.6 Å²	145.6	81%	0.812	78%	0.777	S	S	*	*			trans	-80.6	73.7	178.5	-173.6	0	0	0	0	109.4	I493	I493-V495 PolarHBondContact O-N 3.38Å
496	A	27	Very low	29.5	Very low	71 Å²	71	148.7 Å²	148.7	59%	0.587	78%	0.777	S	S	*	*			trans	-92.4	118	161.4	0	0	0	0	0	108.8	N494 K498	N494-A496 VanDerWaalsContact C-N 3.27Å; N494-A496 PolarHBondContact O-N 3.48Å; A496-K498 PolarHBondContact O-N 3.3Å
497	S	27.3	Very low	29.7	Very low	117 Å²	117	144 Å²	144	82%	0.818	77%	0.765	S	S	*	*			trans	-53.2	84.1	177.8	24.8	0	0	0	0	112.7	V499	S497-V499 PolarHBondContact O-N 3.27Å
498	K	26.1	Very low	30.1	Very low	201 Å²	201	150.3 Å²	150.3	87%	0.874	76%	0.764	S	S	*	*			trans	-75.3	94.8	168.2	-78.6	-177.4	179.5	172.9	0	109.7	A496 S500	A496-K498 PolarHBondContact O-N 3.3Å; K498-S500 PolarHBondContact O-N 2.76Å; K498-S500 VanDerWaalsContact O-N 3.09Å
499	V	27.8	Very low	30.4	Very low	127 Å²	127	153.7 Å²	153.7	77%	0.77	77%	0.766	S	S	*	*			trans	-48	114.6	163.3	177.3	0	0	0	0	108.6	S497 V501	S497-V499 PolarHBondContact O-N 3.27Å; V499-V501 PolarHBondContact O-N 2.98Å
500	S	32.9	Very low	30.7	Very low	72 Å²	72	157.2 Å²	157.2	50%	0.503	77%	0.767	S	S	.	*			trans	-64.7	130.4	-170.8	89.5	0	0	0	0	111.3	K498 R502 S503	K498-S500 PolarHBondContact O-N 2.76Å; K498-S500 VanDerWaalsContact O-N 3.09Å; S500-R502 PolarHBondContact O-N 3.27Å; S500-S503 PolarHBondContact O-N 3.44Å; S500-S503 PolarHBondContact O-OG 3.21Å
501	V	32.7	Very low	30.9	Very low	118 Å²	118	155.6 Å²	155.6	72%	0.715	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-4.7	172.5	177.9	0	0	0	0	112.5	V499 S503	V499-V501 PolarHBondContact O-N 2.98Å; V501-S503 VanDerWaalsContact C-N 3.34Å; V501-S503 PolarHBondContact O-N 3.06Å
502	R	29.5	Very low	31	Very low	218 Å²	218	158.1 Å²	158.1	82%	0.823	76%	0.762	S	S	*	*	H	α-helix	trans	-68.9	-25	176.5	-103.4	174	174.3	159.2	-1.1	113.9	S500 R504	S500-R502 PolarHBondContact O-N 3.27Å; R502-R504 PolarHBondContact O-N 2.96Å
503	S	36.2	Very low	31.4	Very low	76 Å²	76	152.8 Å²	152.8	53%	0.531	75%	0.751	S	S	.	*	H	α-helix	trans	-68.1	-32	179.1	54.7	0	0	0	0	113	S500 V501 R505	S500-S503 PolarHBondContact O-N 3.44Å; S500-S503 PolarHBondContact O-OG 3.21Å; V501-S503 VanDerWaalsContact C-N 3.34Å; V501-S503 PolarHBondContact O-N 3.06Å; S503-R505 PolarHBondContact O-N 3.38Å
504	R	36.5	Very low	31.4	Very low	200 Å²	200	153.4 Å²	153.4	76%	0.755	76%	0.756	S	S	*	*	H	α-helix	trans	-70.3	-27.3	-179.4	-78.2	-178	172.5	140	-1.5	114.4	R502	R502-R504 PolarHBondContact O-N 2.96Å
505	R	33.9	Very low	31.5	Very low	220 Å²	220	149.2 Å²	149.2	83%	0.83	75%	0.749	S	S	*	*	H	α-helix	trans	-78.4	-24.8	-179	-91.2	-177.1	174.2	163.6	-0.9	114.2	S503	S503-R505 PolarHBondContact O-N 3.38Å
506	R	35.7	Very low	31.4	Very low	221 Å²	221	150 Å²	150	83%	0.834	75%	0.749	S	S	*	*	H	α-helix	trans	-75.2	-32.7	176.4	-94.3	-178.1	171.1	174.5	-3	112.6	R509	R506-R509 PolarHBondContact O-N 3.39Å
507	S	34.8	Very low	31.5	Very low	90 Å²	90	154.7 Å²	154.7	63%	0.629	76%	0.763	S	S	*	*	H	α-helix	trans	-68.5	-35.7	-178.9	-154.8	0	0	0	0	113.2	R509	S507-R509 VanDerWaalsContact C-N 3.35Å; S507-R509 PolarHBondContact O-N 3.45Å
508	R	35.9	Very low	31.2	Very low	211 Å²	211	158 Å²	158	80%	0.796	77%	0.766	S	S	*	*	H	α-helix	trans	-74.4	-20.6	-179.8	-85.2	-174.8	164.7	174	-3.5	114.6
509	R	34.2	Very low	31.2	Very low	226 Å²	226	156.3 Å²	156.3	85%	0.853	77%	0.765	S	S	*	*	H	α-helix	trans	-85.9	-12.1	-178	-128.2	176.5	-176.8	170	0.2	113.6	R506 S507	R506-R509 PolarHBondContact O-N 3.39Å; S507-R509 VanDerWaalsContact C-N 3.35Å; S507-R509 PolarHBondContact O-N 3.45Å
510	K	35.2	Very low	31	Very low	187 Å²	187	155 Å²	155	81%	0.813	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-5.9	-180	-129.4	-175.4	179.9	-167.6	0	113.9
511	Q	31.7	Very low	30.6	Very low	151 Å²	151	155.7 Å²	155.7	71%	0.706	77%	0.766	S	S	*	*	S	Bend	trans	-96.6	0.4	-178.3	-79.3	-175.1	-23.3	0	0	115
512	H	30.2	Very low	30.2	Very low	179 Å²	179	157.5 Å²	157.5	83%	0.829	77%	0.771	S	S	*	*	S	Bend	trans	-130.5	32.4	-175.7	-83.1	-65.9	0	0	0	114.1
513	A	32.7	Very low	30.1	Very low	84 Å²	84	155.7 Å²	155.7	69%	0.694	78%	0.775	S	S	*	*			trans	-134.8	45.3	172.6	0	0	0	0	0	111.2
514	D	26.6	Very low	29.6	Very low	163 Å²	163	161.3 Å²	161.3	87%	0.872	79%	0.792	S	S	*	*			trans	-98.7	102.3	160.9	-73.3	-26.2	0	0	0	106.9
515	G	28.4	Very low	29.2	Very low	67 Å²	67	160.3 Å²	160.3	69%	0.691	80%	0.796	S	S	*	*			trans	-154.9	77.5	-178.2	0	0	0	0	0	108.9
516	N	24.8	Very low	28.8	Very low	152 Å²	152	155.5 Å²	155.5	81%	0.813	79%	0.792	S	S	*	*			trans	24.2	108.9	158.3	-63.3	-0.5	0	0	0	117.9
517	L	28.1	Very low	28.3	Very low	168 Å²	168	152 Å²	152	88%	0.88	79%	0.79	S	S	*	*			trans	-144.6	103.6	143.3	-104	145.2	0	0	0	107.4	I519	L517-I519 PolarHBondContact O-N 3.14Å
518	E	21.6	Very low	28.2	Very low	187 Å²	187	154.3 Å²	154.3	87%	0.874	79%	0.793	S	S	*	*			trans	-68.1	118.9	175.3	-67.5	173.3	161.8	0	0	109.4
519	I	25.6	Very low	27.8	Very low	166 Å²	166	152.7 Å²	152.7	85%	0.851	80%	0.795	S	S	*	*			trans	-129.3	122.5	154.9	-63.1	-178.9	0	0	0	107	L517	L517-I519 PolarHBondContact O-N 3.14Å
520	S	23.3	Very low	28.1	Very low	99 Å²	99	146.3 Å²	146.3	69%	0.692	79%	0.785	S	S	*	*			trans	-70.7	148.7	-177.3	172.3	0	0	0	0	113.7
521	S	24.2	Very low	28.4	Very low	86 Å²	86	145 Å²	145	60%	0.601	79%	0.787	S	S	*	*			trans	69.1	117.6	142.3	57.9	0	0	0	0	120.8
522	D	25.6	Very low	29.5	Very low	156 Å²	156	141.6 Å²	141.6	83%	0.834	78%	0.78	S	S	*	*			trans	86	81.7	137.7	-51	-15.6	0	0	0	118.1
523	M	26.8	Very low	31.3	Very low	181 Å²	181	141 Å²	141	89%	0.892	78%	0.783	S	S	*	*			trans	-144.3	108.1	147	-135.2	173.6	-74.4	0	0	108.6	E525	M523-E525 PolarHBondContact O-N 3.03Å; M523-E525 VanDerWaalsContact O-N 3.14Å
524	E	25.5	Very low	33.6	Very low	193 Å²	193	140.1 Å²	140.1	90%	0.902	77%	0.768	S	S	*	*			trans	-55.1	113.5	175.6	-71.8	175.9	143.6	0	0	110	T526	E524-T526 PolarHBondContact O-N 2.8Å; E524-T526 VanDerWaalsContact O-N 3.09Å
525	E	27.5	Very low	36.5	Very low	179 Å²	179	135.1 Å²	135.1	84%	0.836	75%	0.746	S	S	*	*			trans	-70.1	101.4	169.5	-84.7	-176.5	150.4	0	0	109.1	M523 N527	M523-E525 PolarHBondContact O-N 3.03Å; M523-E525 VanDerWaalsContact O-N 3.14Å; E525-N527 PolarHBondContact O-N 3.16Å
526	T	25.9	Very low	39.4	Very low	119 Å²	119	137.5 Å²	137.5	73%	0.73	74%	0.739	S	S	*	*			trans	-64.3	102.7	161.8	50.7	0	0	0	0	108.9	E524 I528	E524-T526 PolarHBondContact O-N 2.8Å; E524-T526 VanDerWaalsContact O-N 3.09Å; T526-I528 VanDerWaalsContact C-N 3.31Å; T526-I528 PolarHBondContact O-N 3.34Å
527	N	26.2	Very low	42.5	Very low	149 Å²	149	133.4 Å²	133.4	80%	0.797	72%	0.723	S	S	*	*			trans	-61.1	88.6	166.1	-86.3	-40.5	0	0	0	109.9	E525	E525-N527 PolarHBondContact O-N 3.16Å
528	I	31.3	Very low	45.6	Very low	137 Å²	137	129.7 Å²	129.7	70%	0.703	70%	0.701	S	S	*	*			trans	-97.1	96.9	161.1	-60.6	177.9	0	0	0	106.4	T526 S530	T526-I528 VanDerWaalsContact C-N 3.31Å; T526-I528 PolarHBondContact O-N 3.34Å; I528-S530 PolarHBondContact O-N 3.26Å
529	E	29.4	Very low	49	Very low	177 Å²	177	124.3 Å²	124.3	83%	0.827	68%	0.68	S	S	*	*			trans	-64.2	78.3	167.9	-68.2	-176.7	155.5	0	0	110.1	N531	E529-N531 PolarHBondContact O-N 2.84Å
530	S	39.8	Very low	52.2	Low	93 Å²	93	116.6 Å²	116.6	65%	0.65	64%	0.641	S	S	*	*			trans	-84.6	95.3	165.8	62.3	0	0	0	0	109	I528 S532	I528-S530 PolarHBondContact O-N 3.26Å; S530-S532 PolarHBondContact O-N 3.12Å
531	N	41.4	Very low	55.6	Low	160 Å²	160	115.3 Å²	115.3	86%	0.856	62%	0.621	S	S	*	*			trans	-68.8	62	-179.5	-120.1	-17	0	0	0	113.1	E529	E529-N531 PolarHBondContact O-N 2.84Å
532	S	55.2	Low	58.9	Low	79 Å²	79	116.1 Å²	116.1	55%	0.552	62%	0.617	S	S	*	*			trans	-137.3	98.5	165.8	71.4	0	0	0	0	110.2	S530 V534	S530-S532 PolarHBondContact O-N 3.12Å; S532-V534 PolarHBondContact O-N 3.12Å
533	N	67.3	Low	62.1	Low	167 Å²	167	113.9 Å²	113.9	89%	0.893	60%	0.598	S	S	*	*			trans	-72.1	41	175.5	-81.9	-28.8	0	0	0	112.5
534	V	80.1	Confident	65.3	Low	64 Å²	64	105.3 Å²	105.3	39%	0.388	56%	0.555	S	S	.	*			trans	-86.7	117.1	178.3	-175.4	0	0	0	0	108.1	S532 Q538 I542	S532-V534 PolarHBondContact O-N 3.12Å; V534-Q538 HydrophobicContact CG1-CB 3.43Å; V534-Q538 VanDerWaalsContact CG1-CB 3.43Å; V534-I542 HydrophobicContact CG1-CD1 4.37Å
535	S	89.1	Confident	68.5	Low	58 Å²	58	102 Å²	102	41%	0.406	54%	0.535	S	S	.	.			trans	-61.9	150.9	175.8	66.9	0	0	0	0	111.1	S537 Q538 T539	S535-S537 PolarHBondContact O-N 2.9Å; S535-Q538 WeakPolarHBondContact O-CA 3.28Å; S535-Q538 WeakPolarHBondContact O-CB 3.26Å; S535-Q538 PolarHBondContact O-N 3.2Å; S535-Q538 WeakPolarHBondContact OG-CG 3.39Å; S535-Q538 PolarHBondContact OG-N 3.01Å; S535-Q538 PolarHBondContact OG-OE1 3.31Å; S535-T539 PolarHBondContact O-N 2.96Å; S535-T539 PolarHBondContact O-OG1 3.43Å
536	H	89.4	Confident	71.5	Confident	117 Å²	117	98.7 Å²	98.7	54%	0.542	53%	0.527	S	S	.	.	H	α-helix	trans	-50.1	-38.6	177.2	-176.8	70.4	0	0	0	113	S313 T539 V540	S313-H536 PolarHBondContact OG-CE1 2.87Å; S313-H536 PolarHBondContact OG-NE2 2.87Å; H536-T539 PolarHBondContact O-N 3.09Å; H536-V540 WeakPolarHBondContact O-CG2 3.37Å; H536-V540 PolarHBondContact O-N 3.45Å
537	S	90.1	Very high	74.5	Confident	67 Å²	67	97.2 Å²	97.2	47%	0.469	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-36.9	177.2	177.3	0	0	0	0	113	S535 R541	S535-S537 PolarHBondContact O-N 2.9Å; S537-R541 WeakPolarHBondContact O-CB 3.27Å; S537-R541 PolarHBondContact O-N 3.35Å
538	Q	91.6	Very high	77.6	Confident	90 Å²	90	95.8 Å²	95.8	42%	0.421	51%	0.506	S	S	.	.	H	α-helix	trans	-69	-41.6	174.2	-74.1	164.4	-52.7	0	0	111	V534 S535 V540 R541 I542	V534-Q538 HydrophobicContact CG1-CB 3.43Å; V534-Q538 VanDerWaalsContact CG1-CB 3.43Å; S535-Q538 WeakPolarHBondContact O-CA 3.28Å; S535-Q538 WeakPolarHBondContact O-CB 3.26Å; S535-Q538 PolarHBondContact O-N 3.2Å; S535-Q538 WeakPolarHBondContact OG-CG 3.39Å; S535-Q538 PolarHBondContact OG-N 3.01Å; S535-Q538 PolarHBondContact OG-OE1 3.31Å; Q538-V540 VanDerWaalsContact C-N 3.35Å; Q538-V540 PolarHBondContact O-N 3.18Å; Q538-R541 PolarHBondContact O-N 2.85Å; Q538-I542 VanDerWaalsContact O-CG1 3.27Å; Q538-I542 WeakPolarHBondContact O-CG1 3.48Å; Q538-I542 PolarHBondContact O-N 2.64Å
539	T	92.8	Very high	80.6	Confident	73 Å²	73	92 Å²	92	45%	0.448	49%	0.487	S	S	.	.	H	α-helix	trans	-58.9	-46.6	175.3	-51.6	0	0	0	0	111.5	S535 H536 R541 I542 R543	S535-T539 PolarHBondContact O-N 2.96Å; S535-T539 PolarHBondContact O-OG1 3.43Å; H536-T539 PolarHBondContact O-N 3.09Å; T539-R541 PolarHBondContact O-N 3.36Å; T539-I542 PolarHBondContact O-N 2.8Å; T539-R543 WeakPolarHBondContact O-CB 3.4Å; T539-R543 PolarHBondContact O-N 3.48Å
540	V	94.3	Very high	83.7	Confident	4 Å²	4	86.3 Å²	86.3	2%	0.024	46%	0.462	C	S	.	.	H	α-helix	trans	-56.9	-50.7	174	164.5	0	0	0	0	110.5	C311 V420 H536 Q538 I542 R543 L544	C311-V540 HydrophobicContact CB-CB 4.34Å; C311-V540 HydrophobicContact CB-CG1 3.79Å; C311-V540 HydrophobicContact CB-CG2 4.1Å; V420-V540 HydrophobicContact CG1-CG1 4.38Å; H536-V540 WeakPolarHBondContact O-CG2 3.37Å; H536-V540 PolarHBondContact O-N 3.45Å; Q538-V540 VanDerWaalsContact C-N 3.35Å; Q538-V540 PolarHBondContact O-N 3.18Å; V540-I542 PolarHBondContact O-N 3.06Å; V540-R543 PolarHBondContact O-N 3.03Å; V540-L544 HydrophobicContact CG1-CD1 3.88Å; V540-L544 HydrophobicContact CG1-CG 4.36Å; V540-L544 VanDerWaalsContact O-CG 3.29Å; V540-L544 WeakPolarHBondContact O-CG 3.39Å; V540-L544 PolarHBondContact O-N 3.25Å
541	R	94.4	Very high	86.3	Confident	73 Å²	73	88.1 Å²	88.1	28%	0.275	47%	0.472	S	S	.	.	H	α-helix	trans	-61	-45	-178.5	-176.7	179.1	-66.1	158.1	-3.4	112.7	S419 V420 F421 S537 Q538 T539 L544 R545	S419-R541 PolarHBondContact O-NH2 3.29Å; V420-R541 PolarHBondContact O-NE 2.61Å; F421-R541 VanDerWaalsContact C-NE 3.32Å; F421-R541 VanDerWaalsContact O-CD 3.3Å; F421-R541 WeakPolarHBondContact O-CD 3.39Å; F421-R541 PolarHBondContact O-NE 3.11Å; S537-R541 WeakPolarHBondContact O-CB 3.27Å; S537-R541 PolarHBondContact O-N 3.35Å; Q538-R541 PolarHBondContact O-N 2.85Å; T539-R541 PolarHBondContact O-N 3.36Å; R541-L544 PolarHBondContact O-N 3.38Å; R541-R545 WeakPolarHBondContact O-CG 3.39Å; R541-R545 PolarHBondContact O-N 3.46Å
542	I	92.8	Very high	88.9	Confident	102 Å²	102	83 Å²	83	52%	0.523	45%	0.448	S	S	.	.	H	α-helix	trans	-59.1	-50.8	178.1	-69.3	164.1	0	0	0	109.4	V534 Q538 T539 V540 L544 R545 T546	V534-I542 HydrophobicContact CG1-CD1 4.37Å; Q538-I542 VanDerWaalsContact O-CG1 3.27Å; Q538-I542 WeakPolarHBondContact O-CG1 3.48Å; Q538-I542 PolarHBondContact O-N 2.64Å; T539-I542 PolarHBondContact O-N 2.8Å; V540-I542 PolarHBondContact O-N 3.06Å; I542-L544 VanDerWaalsContact C-N 3.32Å; I542-L544 PolarHBondContact O-N 3.43Å; I542-R545 PolarHBondContact O-N 3.38Å; I542-R545 VanDerWaalsContact O-N 3.16Å; I542-T546 WeakPolarHBondContact O-CG2 3.3Å; I542-T546 PolarHBondContact O-N 3.46Å; I542-T546 VanDerWaalsContact O-N 3.16Å; I542-T546 PolarHBondContact O-OG1 3.16Å
543	R	93.5	Very high	90.9	Very high	110 Å²	110	80.3 Å²	80.3	42%	0.415	43%	0.429	S	S	.	.	H	α-helix	trans	-60.7	-38.7	180	-179.2	171.1	173.1	162.2	4.6	113.2	C311 T539 V540 T546	C311-R543 WeakPolarHBondContact O-CD 3.43Å; T539-R543 WeakPolarHBondContact O-CB 3.4Å; T539-R543 PolarHBondContact O-N 3.48Å; V540-R543 PolarHBondContact O-N 3.03Å; R543-T546 PolarHBondContact O-OG1 3.16Å; R543-T546 VanDerWaalsContact O-OG1 3.07Å
544	L	94.5	Very high	92.3	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-67.6	-40	177.2	-70.2	178.1	0	0	0	111.6	C278 E310 C311 V420 F421 L462 R466 V540 R541 I542 T546	C278-L544 HydrophobicContact CB-CD1 3.92Å; C278-L544 HydrophobicContact CB-CD2 4.31Å; E310-L544 HydrophobicContact CB-CD2 4.04Å; C311-L544 HydrophobicContact CB-CD2 4.16Å; C311-L544 HydrophobicContact CB-CG 4.34Å; V420-L544 HydrophobicContact CG1-CD1 3.38Å; F421-L544 HydrophobicContact CE1-CB 3.85Å; F421-L544 HydrophobicContact CE1-CD1 4.49Å; F421-L544 HydrophobicContact CZ-CB 4.24Å; F421-L544 HydrophobicContact CZ-CD1 4.29Å; L462-L544 HydrophobicContact CD1-CD2 3.89Å; R466-L544 VanDerWaalsContact CD-O 3.28Å; R466-L544 WeakPolarHBondContact CD-O 3.32Å; V540-L544 HydrophobicContact CG1-CD1 3.88Å; V540-L544 HydrophobicContact CG1-CG 4.36Å; V540-L544 VanDerWaalsContact O-CG 3.29Å; V540-L544 WeakPolarHBondContact O-CG 3.39Å; V540-L544 PolarHBondContact O-N 3.25Å; R541-L544 PolarHBondContact O-N 3.38Å; I542-L544 VanDerWaalsContact C-N 3.32Å; I542-L544 PolarHBondContact O-N 3.43Å; L544-T546 PolarHBondContact O-N 3.49Å
545	R	92	Very high	93.1	Very high	125 Å²	125	72.7 Å²	72.7	47%	0.472	39%	0.387	S	S	.	.	H	α-helix	trans	-72.7	-22.5	-178.6	-72	-176.3	70.5	139.2	4.7	114.3	F421 R541 I542 R547	F421-R545 HydrophobicContact CD1-CG 4.22Å; R541-R545 WeakPolarHBondContact O-CG 3.39Å; R541-R545 PolarHBondContact O-N 3.46Å; I542-R545 PolarHBondContact O-N 3.38Å; I542-R545 VanDerWaalsContact O-N 3.16Å; R545-R547 VanDerWaalsContact C-N 3.33Å
546	T	89.9	Confident	93.4	Very high	109 Å²	109	74.7 Å²	74.7	67%	0.669	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-9.1	179.7	54.7	0	0	0	0	113.9	I542 R543 L544	I542-T546 WeakPolarHBondContact O-CG2 3.3Å; I542-T546 PolarHBondContact O-N 3.46Å; I542-T546 VanDerWaalsContact O-N 3.16Å; I542-T546 PolarHBondContact O-OG1 3.16Å; R543-T546 PolarHBondContact O-OG1 3.16Å; R543-T546 VanDerWaalsContact O-OG1 3.07Å; L544-T546 PolarHBondContact O-N 3.49Å
547	R	89.8	Confident	93.7	Very high	88 Å²	88	75 Å²	75	33%	0.332	39%	0.394	S	S	.	.	S	Bend	trans	-76.6	138.1	178.7	-76.3	-171	144.3	-160.8	-7.4	111.7	I309 E310 R466 R545	I309-R547 PolarHBondContact O-NH2 2.95Å; E310-R547 IonicContact OE1-NH1 3.74Å; E310-R547 PolarHBondContact OE1-NH1 3.27Å; E310-R547 IonicContact OE2-CZ 3.88Å; E310-R547 IonicContact OE2-NH1 2.66Å; E310-R547 PolarHBondContact OE2-NH1 3.05Å; R466-R547 PolarHBondContact NH1-O 2.89Å; R545-R547 VanDerWaalsContact C-N 3.33Å
548	P	91.2	Very high	94	Very high	118 Å²	118	74 Å²	74	77%	0.766	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-60.9	143.2	176.3	27	-34.4	0	0	0	111	R466	R466-P548 PolarHBondContact NH1-O 3.37Å
549	I	94	Very high	94	Very high	57 Å²	57	75.4 Å²	75.4	29%	0.292	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-81.4	135.2	177.7	-63.3	172.4	0	0	0	108.8	D463 R466 D470 V553	D463-I549 HydrophobicContact CB-CG2 4.31Å; D463-I549 WeakPolarHBondContact OD1-CA 3.43Å; R466-I549 HydrophobicContact CB-CD1 4Å; R466-I549 HydrophobicContact CB-CG1 3.97Å; D470-I549 VanDerWaalsContact OD2-CD1 3.26Å; D470-I549 WeakPolarHBondContact OD2-CD1 3.42Å; I549-V553 HydrophobicContact CG2-CB 4.15Å; I549-V553 HydrophobicContact CG2-CG2 4.06Å
550	N	95	Very high	94	Very high	58 Å²	58	75.6 Å²	75.6	31%	0.31	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-60.3	127.3	173	-172.9	-43.4	0	0	0	110.9	F460 D463 S552 V553	F460-N550 HydrophobicContact CD2-CB 4.09Å; F460-N550 HydrophobicContact CE2-CB 4.22Å; D463-N550 HydrophobicContact CB-CB 4.4Å; D463-N550 PolarHBondContact OD1-N 3.37Å; D463-N550 WeakPolarHBondContact OD2-CB 3.5Å; N550-S552 PolarHBondContact O-N 3.32Å; N550-S552 VanDerWaalsContact O-N 3.11Å; N550-S552 WeakPolarHBondContact OD1-CB 3.38Å; N550-S552 PolarHBondContact OD1-N 3.46Å; N550-S552 PolarHBondContact OD1-OG 3.01Å; N550-V553 HydrophobicContact CB-CG2 4.43Å; N550-V553 WeakPolarHBondContact O-CB 3.48Å; N550-V553 WeakPolarHBondContact O-CG2 3.29Å; N550-V553 PolarHBondContact O-N 2.85Å; N550-V553 VanDerWaalsContact O-N 3.09Å
551	P	94.8	Very high	93.9	Very high	131 Å²	131	75.4 Å²	75.4	85%	0.851	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.8	-175.8	26.7	-36.3	0	0	0	114.5	V553	P551-V553 PolarHBondContact O-N 3.35Å
552	S	95.6	Very high	93.6	Very high	53 Å²	53	74.5 Å²	74.5	37%	0.371	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.9	175	61.1	0	0	0	0	114	F460 N550 S554	F460-S552 WeakPolarHBondContact CE2-OG 3.04Å; N550-S552 PolarHBondContact O-N 3.32Å; N550-S552 VanDerWaalsContact O-N 3.11Å; N550-S552 WeakPolarHBondContact OD1-CB 3.38Å; N550-S552 PolarHBondContact OD1-N 3.46Å; N550-S552 PolarHBondContact OD1-OG 3.01Å; S552-S554 PolarHBondContact O-N 3.2Å; S552-S554 VanDerWaalsContact O-N 3.16Å
553	V	96.6	Very high	93.3	Very high	23 Å²	23	70.4 Å²	70.4	14%	0.139	37%	0.374	C	S	.	.			trans	-63.8	115.9	174.4	169.1	0	0	0	0	110.1	F460 D463 I549 N550 P551 F555	F460-V553 HydrophobicContact CD2-CG2 4.4Å; F460-V553 HydrophobicContact CE2-CG2 3.67Å; F460-V553 HydrophobicContact CZ-CG2 3.83Å; D463-V553 HydrophobicContact CB-CG2 3.74Å; I549-V553 HydrophobicContact CG2-CB 4.15Å; I549-V553 HydrophobicContact CG2-CG2 4.06Å; N550-V553 HydrophobicContact CB-CG2 4.43Å; N550-V553 WeakPolarHBondContact O-CB 3.48Å; N550-V553 WeakPolarHBondContact O-CG2 3.29Å; N550-V553 PolarHBondContact O-N 2.85Å; N550-V553 VanDerWaalsContact O-N 3.09Å; P551-V553 PolarHBondContact O-N 3.35Å; V553-F555 HydrophobicContact CG1-CD2 4.46Å; V553-F555 HydrophobicContact CG1-CE2 4.09Å
554	S	97	Very high	92.8	Very high	40 Å²	40	66.7 Å²	66.7	28%	0.28	37%	0.365	S	S	.	.			trans	-139.8	125.1	178.2	174.7	0	0	0	0	111.7	C434 N437 S552 T556	C434-S554 VanDerWaalsContact CA-O 3.23Å; C434-S554 WeakPolarHBondContact CA-O 3.45Å; C434-S554 PolarHBondContact N-O 3.49Å; N437-S554 PolarHBondContact ND2-O 3.4Å; S552-S554 PolarHBondContact O-N 3.2Å; S552-S554 VanDerWaalsContact O-N 3.16Å; S554-T556 VanDerWaalsContact C-N 3.35Å; S554-T556 PolarHBondContact OG-N 3.45Å; S554-T556 PolarHBondContact OG-OG1 3.48Å
555	F	96.2	Very high	92.2	Very high	30 Å²	30	66.7 Å²	66.7	13%	0.132	37%	0.365	C	S	.	.			trans	-91.1	7.9	176.8	-74.6	-78.9	0	0	0	114	D430 C434 C464 S467 H468 V553 R557	D430-F555 HydrophobicContact CB-CD1 3.76Å; D430-F555 HydrophobicContact CB-CE1 4.13Å; D430-F555 VanDerWaalsContact O-CD1 3.26Å; D430-F555 WeakPolarHBondContact O-CD1 3.43Å; C434-F555 HydrophobicContact CB-CD1 4.07Å; C434-F555 HydrophobicContact CB-CE1 3.81Å; C434-F555 HydrophobicContact CB-CZ 4.21Å; C464-F555 WeakPolarHBondContact O-CZ 3.03Å; S467-F555 WeakPolarHBondContact OG-CE2 3.37Å; H468-F555 HydrophobicContact CB-CZ 4.13Å; V553-F555 HydrophobicContact CG1-CD2 4.46Å; V553-F555 HydrophobicContact CG1-CE2 4.09Å; F555-R557 PolarHBondContact O-N 3.06Å
556	T	96.2	Very high	91.7	Very high	100 Å²	100	64.2 Å²	64.2	61%	0.613	36%	0.357	S	S	*	.	S	Bend	trans	-55.5	127.8	174.2	-56.8	0	0	0	0	109.9	S433 N437 S554 H558	S433-T556 WeakPolarHBondContact CB-O 3.42Å; N437-T556 PolarHBondContact ND2-O 3.36Å; S554-T556 VanDerWaalsContact C-N 3.35Å; S554-T556 PolarHBondContact OG-N 3.45Å; S554-T556 PolarHBondContact OG-OG1 3.48Å; T556-H558 PolarHBondContact O-N 2.92Å; T556-H558 VanDerWaalsContact O-N 3.11Å
557	R	96.6	Very high	91.4	Very high	125 Å²	125	64 Å²	64	47%	0.472	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-56.2	117.1	-172.4	-177	59.7	162.5	150.2	2.2	111.7	P429 F555 E562	P429-R557 VanDerWaalsContact CA-NH1 3.31Å; F555-R557 PolarHBondContact O-N 3.06Å; R557-E562 IonicContact CZ-OE2 2.63Å; R557-E562 VanDerWaalsContact NH2-CD 3.29Å; R557-E562 IonicContact NH2-OE2 3.23Å; R557-E562 PolarHBondContact NH2-OE2 2.97Å
558	H	95.4	Very high	91.1	Very high	44 Å²	44	62.9 Å²	62.9	20%	0.204	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-90	139.3	178	-169.8	-86.2	0	0	0	111.2	S433 L436 N437 T556 L560 A561	S433-H558 PolarHBondContact OG-N 3.26Å; L436-H558 HydrophobicContact CB-CB 4.11Å; L436-H558 HydrophobicContact CD1-CB 4.26Å; N437-H558 PolarHBondContact OD1-CD2 3.2Å; T556-H558 PolarHBondContact O-N 2.92Å; T556-H558 VanDerWaalsContact O-N 3.11Å; H558-L560 VanDerWaalsContact C-N 3.26Å; H558-L560 PolarHBondContact ND1-N 2.87Å; H558-L560 VanDerWaalsContact ND1-N 3.12Å; H558-L560 PolarHBondContact O-N 2.76Å; H558-A561 HydrophobicContact CB-CB 4.24Å; H558-A561 WeakPolarHBondContact O-CB 2.78Å; H558-A561 PolarHBondContact O-N 3.49Å
559	P	92.2	Very high	90.6	Very high	120 Å²	120	60.3 Å²	60.3	78%	0.779	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-33	-178.1	-27.1	34.8	0	0	0	114.8	A561	P559-A561 VanDerWaalsContact C-N 3.34Å
560	L	91.6	Very high	89.9	Confident	78 Å²	78	59.3 Å²	59.3	41%	0.408	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	6.9	179.2	-56.3	179.1	0	0	0	114.1	N347 L436 H558 E562	N347-L560 WeakPolarHBondContact O-CD1 3.39Å; L436-L560 HydrophobicContact CD1-CB 4.1Å; H558-L560 VanDerWaalsContact C-N 3.26Å; H558-L560 PolarHBondContact ND1-N 2.87Å; H558-L560 VanDerWaalsContact ND1-N 3.12Å; H558-L560 PolarHBondContact O-N 2.76Å; L560-E562 PolarHBondContact O-N 3.37Å
561	A	92.6	Very high	89.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	-72.5	-7.8	-175.6	0	0	0	0	0	114	P429 Y432 S433 L436 H558 P559	P429-A561 WeakPolarHBondContact O-CB 3.21Å; Y432-A561 VanDerWaalsContact CD2-O 3.28Å; Y432-A561 WeakPolarHBondContact CD2-O 3.43Å; S433-A561 VanDerWaalsContact OG-CB 3.27Å; S433-A561 WeakPolarHBondContact OG-CB 3.5Å; L436-A561 HydrophobicContact CD1-CB 4.19Å; H558-A561 HydrophobicContact CB-CB 4.24Å; H558-A561 WeakPolarHBondContact O-CB 2.78Å; H558-A561 PolarHBondContact O-N 3.49Å; P559-A561 VanDerWaalsContact C-N 3.34Å
562	E	89.3	Confident	88.1	Confident	53 Å²	53	54.7 Å²	54.7	25%	0.248	31%	0.311	C	S	.	.	S	Bend	trans	-119.9	124.3	167.1	-75.8	-172.2	134.4	0	0	111.7	P429 R557 L560 K566	P429-E562 HydrophobicContact CG-CG 4.17Å; R557-E562 IonicContact CZ-OE2 2.63Å; R557-E562 VanDerWaalsContact NH2-CD 3.29Å; R557-E562 IonicContact NH2-OE2 3.23Å; R557-E562 PolarHBondContact NH2-OE2 2.97Å; L560-E562 PolarHBondContact O-N 3.37Å; E562-K566 HydrophobicContact CG-CD 4.42Å; E562-K566 WeakPolarHBondContact OE1-CE 3.35Å; E562-K566 IonicContact OE1-NZ 2.76Å; E562-K566 PolarHBondContact OE1-NZ 3.46Å
563	P	85	Confident	87	Confident	17 Å²	17	55.1 Å²	55.1	11%	0.11	31%	0.305	C	S	.	.			trans	-70.2	148	-178.5	27.8	-32.5	0	0	0	110.8	S565 K566 N567	P563-S565 VanDerWaalsContact C-N 3.26Å; P563-S565 PolarHBondContact O-N 3.5Å; P563-K566 HydrophobicContact CG-CB 3.94Å; P563-K566 WeakPolarHBondContact O-CB 3.43Å; P563-K566 PolarHBondContact O-N 3.38Å; P563-N567 PolarHBondContact O-N 3.07Å
564	P	83.7	Confident	85.3	Confident	32 Å²	32	57.5 Å²	57.5	21%	0.208	31%	0.314	C	S	.	.	H	α-helix	trans	-54.4	-39.1	-179.3	-25.3	33.5	0	0	0	113.7	K344 V346 K566 N567 D568	K344-P564 HydrophobicContact CB-CB 4.38Å; K344-P564 HydrophobicContact CD-CB 3.87Å; V346-P564 HydrophobicContact CG2-CG 4.46Å; P564-K566 PolarHBondContact O-N 3.47Å; P564-N567 PolarHBondContact O-N 3.06Å; P564-N567 VanDerWaalsContact O-N 3.13Å; P564-D568 PolarHBondContact O-N 3.46Å
565	S	82	Confident	83.4	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-57.7	-31.9	176.9	65	0	0	0	0	114.3	E403 P563 L570	E403-S565 VanDerWaalsContact OE1-CB 3.29Å; E403-S565 WeakPolarHBondContact OE1-CB 3.46Å; E403-S565 PolarHBondContact OE1-N 3.36Å; E403-S565 PolarHBondContact OE1-OG 3.35Å; E403-S565 VanDerWaalsContact OE2-CB 3.27Å; E403-S565 WeakPolarHBondContact OE2-CB 3.43Å; E403-S565 PolarHBondContact OE2-OG 3.16Å; P563-S565 VanDerWaalsContact C-N 3.26Å; P563-S565 PolarHBondContact O-N 3.5Å; S565-L570 PolarHBondContact O-N 2.87Å
566	K	82.1	Confident	81.5	Confident	72 Å²	72	66 Å²	66	31%	0.313	36%	0.356	S	S	.	.	H	α-helix	trans	-74	-42	177.4	-171.5	-177.8	176.3	-165.6	0	110.8	E562 P563 P564 D568 G569	E562-K566 HydrophobicContact CG-CD 4.42Å; E562-K566 WeakPolarHBondContact OE1-CE 3.35Å; E562-K566 IonicContact OE1-NZ 2.76Å; E562-K566 PolarHBondContact OE1-NZ 3.46Å; P563-K566 HydrophobicContact CG-CB 3.94Å; P563-K566 WeakPolarHBondContact O-CB 3.43Å; P563-K566 PolarHBondContact O-N 3.38Å; P564-K566 PolarHBondContact O-N 3.47Å; K566-D568 VanDerWaalsContact C-N 3.26Å; K566-D568 PolarHBondContact O-N 2.87Å; K566-G569 PolarHBondContact O-N 3.03Å; K566-G569 VanDerWaalsContact O-N 3.12Å
567	N	81.9	Confident	79.6	Confident	105 Å²	105	64.6 Å²	64.6	56%	0.561	35%	0.349	S	S	*	.	H	α-helix	trans	-65.3	-32.8	178.7	-64.3	-11.8	0	0	0	111.6	P563 P564 G569	P563-N567 PolarHBondContact O-N 3.07Å; P564-N567 PolarHBondContact O-N 3.06Å; P564-N567 VanDerWaalsContact O-N 3.13Å; N567-G569 PolarHBondContact O-N 2.96Å
568	D	83.7	Confident	77.6	Confident	64 Å²	64	65.1 Å²	65.1	34%	0.342	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.5	176.9	-67.4	-6.6	0	0	0	113.4	Y341 K344 P564 K566 L570	Y341-D568 PolarHBondContact OH-OD2 3.34Å; K344-D568 IonicContact NZ-OD1 3.02Å; K344-D568 PolarHBondContact NZ-OD1 2.74Å; K344-D568 IonicContact NZ-OD2 3.73Å; K344-D568 PolarHBondContact NZ-OD2 2.85Å; P564-D568 PolarHBondContact O-N 3.46Å; K566-D568 VanDerWaalsContact C-N 3.26Å; K566-D568 PolarHBondContact O-N 2.87Å; D568-L570 VanDerWaalsContact C-N 3.3Å; D568-L570 HydrophobicContact CB-CG 4.31Å; D568-L570 PolarHBondContact O-N 3.4Å
569	G	80.4	Confident	75.4	Confident	64 Å²	64	70.8 Å²	70.8	66%	0.66	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	26.7	177.1	0	0	0	0	0	114.4	K566 N567	K566-G569 PolarHBondContact O-N 3.03Å; K566-G569 VanDerWaalsContact O-N 3.12Å; N567-G569 PolarHBondContact O-N 2.96Å
570	L	81	Confident	73.6	Confident	36 Å²	36	74.7 Å²	74.7	19%	0.188	38%	0.382	C	S	.	.			trans	-64	149	-178.7	-66.3	-176.7	0	0	0	112.1	Y341 I395 T399 S565 D568 R572	Y341-L570 HydrophobicContact CE1-CD1 3.71Å; Y341-L570 HydrophobicContact CE2-CD1 4.47Å; Y341-L570 HydrophobicContact CE2-CD2 4.4Å; I395-L570 HydrophobicContact CG2-CD1 4.29Å; I395-L570 HydrophobicContact CG2-CD2 4.16Å; T399-L570 HydrophobicContact CG2-CD1 3.95Å; S565-L570 PolarHBondContact O-N 2.87Å; D568-L570 VanDerWaalsContact C-N 3.3Å; D568-L570 HydrophobicContact CB-CG 4.31Å; D568-L570 PolarHBondContact O-N 3.4Å; L570-R572 HydrophobicContact CB-CG 4.42Å; L570-R572 WeakPolarHBondContact O-CG 3.27Å; L570-R572 PolarHBondContact O-N 3.36Å
571	V	77.7	Confident	71.5	Confident	65 Å²	65	73.4 Å²	73.4	39%	0.394	37%	0.371	S	S	.	.			trans	-74.8	91.9	172.4	-177.7	0	0	0	0	109	R393 G396	R393-V571 HydrophobicContact CG-CG1 4.5Å; G396-V571 WeakPolarHBondContact CA-O 3.3Å
572	R	74.5	Confident	70	Confident	27 Å²	27	74 Å²	74	10%	0.102	38%	0.378	C	S	.	.			trans	-84.1	-32.8	-175.3	-65.5	173.7	64.6	-157.8	-1.7	113.2	V400 C444 L570	V400-R572 HydrophobicContact CG2-CB 3.81Å; V400-R572 HydrophobicContact CG2-CG 3.53Å; C444-R572 PolarHBondContact SG-NH2 3.06Å; L570-R572 HydrophobicContact CB-CG 4.42Å; L570-R572 WeakPolarHBondContact O-CG 3.27Å; L570-R572 PolarHBondContact O-N 3.36Å
573	Y	72.4	Confident	68.4	Low	63 Å²	63	75.1 Å²	75.1	25%	0.247	39%	0.389	C	S	.	.	S	Bend	trans	-142.6	141.7	-178.8	-50.6	-80.1	0	0	0	108.8	S445 D448 K449	S445-Y573 PolarHBondContact O-OH 2.81Å; D448-Y573 VanDerWaalsContact O-CE1 3.27Å; D448-Y573 WeakPolarHBondContact O-CE1 3.46Å; D448-Y573 PolarHBondContact O-OH 3.46Å; D448-Y573 VanDerWaalsContact O-OH 3.13Å; K449-Y573 HydrophobicContact CB-CD1 4.14Å; K449-Y573 HydrophobicContact CB-CD2 3.62Å; K449-Y573 HydrophobicContact CB-CE1 4.38Å; K449-Y573 HydrophobicContact CB-CE2 3.92Å; K449-Y573 HydrophobicContact CB-CG 3.76Å
574	Q	60.6	Low	67.4	Low	72 Å²	72	79.7 Å²	79.7	34%	0.336	41%	0.408	S	S	.	.			trans	-95	133.3	172.5	-171.9	158	0.5	0	0	110.1
575	I	56.5	Low	66.2	Low	150 Å²	150	83.2 Å²	83.2	77%	0.769	43%	0.433	S	S	*	.			trans	-81.9	130.9	163.1	-60.8	168.5	0	0	0	105.9	P577	I575-P577 VanDerWaalsContact O-CD 3.23Å; I575-P577 WeakPolarHBondContact O-CD 3.41Å
576	N	57	Low	65	Low	99 Å²	99	90.3 Å²	90.3	53%	0.529	46%	0.464	S	S	.	.			trans	-44.9	111.9	175.9	-72.9	-15.4	0	0	0	109.8	E578 W581	N576-E578 VanDerWaalsContact C-N 3.28Å; N576-E578 PolarHBondContact O-N 3.42Å; N576-W581 HydrophobicContact CB-CB 4.05Å; N576-W581 HydrophobicContact CB-CG 4.17Å
577	P	54.6	Low	63.6	Low	70 Å²	70	89.9 Å²	89.9	46%	0.455	47%	0.468	S	S	.	.			trans	-74.5	-18.4	-172.3	29.9	-37	0	0	0	112.8	I575 W581	I575-P577 VanDerWaalsContact O-CD 3.23Å; I575-P577 WeakPolarHBondContact O-CD 3.41Å; P577-W581 HydrophobicContact CB-CZ3 4.45Å; P577-W581 VanDerWaalsContact CD-CD2 3.45Å; P577-W581 VanDerWaalsContact CD-CE2 3.44Å; P577-W581 HydrophobicContact CG-CD2 3.79Å; P577-W581 HydrophobicContact CG-CE3 3.38Å; P577-W581 HydrophobicContact CG-CH2 3.23Å; P577-W581 HydrophobicContact CG-CZ2 3.63Å; P577-W581 HydrophobicContact CG-CZ3 3.1Å
578	E	54.7	Low	62.1	Low	137 Å²	137	96.2 Å²	96.2	64%	0.64	48%	0.484	S	S	*	.	S	Bend	trans	-134.9	156.2	-175.8	-65.2	-179.8	-175.6	0	0	113.5	N576 W581	N576-E578 VanDerWaalsContact C-N 3.28Å; N576-E578 PolarHBondContact O-N 3.42Å; E578-W581 HydrophobicContact CB-CE3 4.3Å; E578-W581 WeakPolarHBondContact O-CB 3.36Å; E578-W581 PolarHBondContact O-N 3.45Å
579	K	50	Low	60.4	Low	163 Å²	163	101.1 Å²	101.1	71%	0.709	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	132.9	165.4	-163.9	-178.3	-179.2	-173.2	0	107.9
580	Y	55.1	Low	58.6	Low	202 Å²	202	107.3 Å²	107.3	79%	0.792	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	18.7	-174.2	-40.7	-75.6	0	0	0	115.8	G582	Y580-G582 PolarHBondContact O-N 3.47Å
581	W	47.6	Very low	56.6	Low	50 Å²	50	115 Å²	115	19%	0.189	55%	0.548	C	S	.	.			trans	-57.2	118.7	167.6	-169.6	-98.9	0	0	0	111.1	V40 N576 P577 E578	V40-W581 HydrophobicContact CB-CH2 3.92Å; V40-W581 HydrophobicContact CB-CZ2 3.98Å; V40-W581 HydrophobicContact CB-CZ3 4.29Å; V40-W581 HydrophobicContact CG1-CD2 4.31Å; V40-W581 HydrophobicContact CG1-CH2 3.57Å; V40-W581 HydrophobicContact CG1-CZ2 3.13Å; V40-W581 HydrophobicContact CG1-CZ3 4.31Å; V40-W581 HydrophobicContact CG2-CD2 3.85Å; V40-W581 HydrophobicContact CG2-CE3 3.51Å; V40-W581 HydrophobicContact CG2-CH2 3.35Å; V40-W581 HydrophobicContact CG2-CZ2 3.72Å; V40-W581 HydrophobicContact CG2-CZ3 3.23Å; N576-W581 HydrophobicContact CB-CB 4.05Å; N576-W581 HydrophobicContact CB-CG 4.17Å; P577-W581 HydrophobicContact CB-CZ3 4.45Å; P577-W581 VanDerWaalsContact CD-CD2 3.45Å; P577-W581 VanDerWaalsContact CD-CE2 3.44Å; P577-W581 HydrophobicContact CG-CD2 3.79Å; P577-W581 HydrophobicContact CG-CE3 3.38Å; P577-W581 HydrophobicContact CG-CH2 3.23Å; P577-W581 HydrophobicContact CG-CZ2 3.63Å; P577-W581 HydrophobicContact CG-CZ3 3.1Å; E578-W581 HydrophobicContact CB-CE3 4.3Å; E578-W581 WeakPolarHBondContact O-CB 3.36Å; E578-W581 PolarHBondContact O-N 3.45Å
582	G	60.1	Low	54.8	Low	13 Å²	13	118.1 Å²	118.1	13%	0.134	57%	0.567	C	S	.	*	S	Bend	trans	165.6	-175.6	-175.6	0	0	0	0	0	114.2	Y580 K584	Y580-G582 PolarHBondContact O-N 3.47Å; G582-K584 PolarHBondContact O-N 2.81Å; G582-K584 VanDerWaalsContact O-N 3.14Å
583	P	56.7	Low	53.2	Low	76 Å²	76	121.9 Å²	121.9	49%	0.494	60%	0.598	S	S	.	*			trans	-68.2	114	172.2	13.6	-0.9	0	0	0	107.8	F247	F247-P583 HydrophobicContact CB-CG 4Å; F247-P583 HydrophobicContact CD2-CB 3.81Å; F247-P583 HydrophobicContact CD2-CG 3.83Å; F247-P583 HydrophobicContact CE2-CB 4.25Å; F247-P583 HydrophobicContact CG-CB 4.47Å; F247-P583 HydrophobicContact CG-CG 4.11Å
584	K	63.3	Low	51.7	Low	114 Å²	114	128.6 Å²	128.6	50%	0.496	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-61.6	147.4	167.9	-72.9	-178.9	-176	-179.2	0	108.8	F36 Y37 G582	F36-K584 HydrophobicContact CD2-CB 4.27Å; F36-K584 HydrophobicContact CE2-CB 3.23Å; F36-K584 HydrophobicContact CE2-CD 4.13Å; F36-K584 HydrophobicContact CE2-CG 4.3Å; F36-K584 HydrophobicContact CZ-CB 3.67Å; F36-K584 HydrophobicContact CZ-CD 4.44Å; Y37-K584 PolarHBondContact O-NZ 3.28Å; Y37-K584 VanDerWaalsContact O-NZ 3.13Å; G582-K584 PolarHBondContact O-N 2.81Å; G582-K584 VanDerWaalsContact O-N 3.14Å
585	S	57.8	Low	51.2	Low	106 Å²	106	131.4 Å²	131.4	74%	0.741	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-59.3	143.1	177.8	52.1	0	0	0	0	111.2
586	K	56.6	Low	51	Low	149 Å²	149	130.4 Å²	130.4	65%	0.648	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-50.2	133.2	170	-173.1	-179.8	179.1	177.5	0	108.7	R588	K586-R588 PolarHBondContact O-N 2.81Å
587	P	53.3	Low	50.6	Low	62 Å²	62	132.2 Å²	132.2	40%	0.403	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-55.8	127.6	172.4	19.5	-28.4	0	0	0	109	F36 M589	F36-P587 HydrophobicContact CB-CG 4Å; P587-M589 PolarHBondContact O-N 3.09Å
588	R	50.9	Low	50.4	Low	238 Å²	238	135.8 Å²	135.8	90%	0.898	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-66.4	119.8	171.9	-72	-176.9	175.2	-174.6	-1.4	106.4	K586 K590	K586-R588 PolarHBondContact O-N 2.81Å; R588-K590 PolarHBondContact O-N 2.84Å; R588-K590 VanDerWaalsContact O-N 3.09Å
589	M	48.1	Very low	50.1	Low	167 Å²	167	135.8 Å²	135.8	82%	0.823	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-56.1	120.8	163.7	-70.3	177.4	75.1	0	0	106.1	P587 K591	P587-M589 PolarHBondContact O-N 3.09Å; M589-K591 PolarHBondContact O-N 2.9Å
590	K	42.9	Very low	50.1	Low	194 Å²	194	133.9 Å²	133.9	84%	0.843	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-55.3	119.1	163	-78.2	-176.1	178	178.8	0	104.3	R588 T592	R588-K590 PolarHBondContact O-N 2.84Å; R588-K590 VanDerWaalsContact O-N 3.09Å; K590-T592 VanDerWaalsContact C-N 3.3Å; K590-T592 PolarHBondContact O-N 3.14Å
591	K	37.6	Very low	49.8	Very low	198 Å²	198	129.1 Å²	129.1	86%	0.861	67%	0.671	S	S	*	*			trans	-57.4	106.4	166.3	-76.5	-174.4	176.2	-174.9	0	104.7	M589 S593	M589-K591 PolarHBondContact O-N 2.9Å; K591-S593 VanDerWaalsContact C-N 3.35Å; K591-S593 PolarHBondContact O-N 3.02Å; K591-S593 VanDerWaalsContact O-N 3.09Å
592	T	41	Very low	49.9	Very low	130 Å²	130	135.2 Å²	135.2	80%	0.798	71%	0.708	S	S	*	*			trans	-61.5	110.6	156.4	45.2	0	0	0	0	103.8	K590	K590-T592 VanDerWaalsContact C-N 3.3Å; K590-T592 PolarHBondContact O-N 3.14Å
593	S	39.7	Very low	49.1	Very low	107 Å²	107	145.3 Å²	145.3	75%	0.748	76%	0.756	S	S	*	*			trans	-51.5	134.1	165.6	-56.2	0	0	0	0	106.9	K591	K591-S593 VanDerWaalsContact C-N 3.35Å; K591-S593 PolarHBondContact O-N 3.02Å; K591-S593 VanDerWaalsContact O-N 3.09Å
594	P	41.2	Very low	48.4	Very low	203 Å²	203	151.6 Å²	151.6	100%	1.318	78%	0.78	S	S	*	*			trans	-56.8	0	-176.7	24	-33.6	0	0	0	112.5

Retrieved 594 of 594 residues in 293.3 ms (Link to these results)

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