A0A5K4FBJ5_SCHMA Loading...

type I protein arginine methyltransferase

AlphaFold DB , UniProt , Accession A0A5K4FBJ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 553 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	32.9	Very low	35	Very low	237 Å²	237	160.9 Å²	160.9	100%	1.167	86%	0.857	S	S	*	*				0	122.3	0	-77.3	169.3	172.2	0	0	105.9	D3	M1-D3 PolarHBondContact O-N 2.87Å
2	T	35.1	Very low	34.9	Very low	134 Å²	134	161.2 Å²	161.2	82%	0.822	86%	0.859	S	S	*	*			trans	-78	108.6	177.8	41.3	0	0	0	0	108.2
3	D	34.7	Very low	35.3	Very low	161 Å²	161	155.9 Å²	155.9	86%	0.861	84%	0.843	S	S	*	*			trans	-95	98.3	168.7	-79	-28.4	0	0	0	108.3	M1	M1-D3 PolarHBondContact O-N 2.87Å
4	S	36.5	Very low	35.9	Very low	107 Å²	107	156.6 Å²	156.6	75%	0.748	85%	0.846	S	S	*	*			trans	-71.6	120.5	167.5	35.5	0	0	0	0	109.4	P6	S4-P6 WeakPolarHBondContact O-CD 3.26Å
5	N	36.3	Very low	36	Very low	153 Å²	153	155.5 Å²	155.5	82%	0.818	84%	0.839	S	S	*	*			trans	-72.2	118.6	177.9	-167.1	16.9	0	0	0	110.2
6	P	40.8	Very low	36.1	Very low	109 Å²	109	161.8 Å²	161.8	71%	0.708	85%	0.847	S	S	*	*			trans	-102.5	90.5	-175.8	34.9	-24.1	0	0	0	110.4	S4	S4-P6 WeakPolarHBondContact O-CD 3.26Å
7	M	34.9	Very low	36	Very low	170 Å²	170	163 Å²	163	84%	0.837	85%	0.848	S	S	*	*			trans	-156.4	69.5	158.3	-74.4	-151	-43.2	0	0	109.8
8	E	31	Very low	36	Very low	188 Å²	188	163.5 Å²	163.5	88%	0.879	85%	0.845	S	S	*	*			trans	-114.3	101.2	151.9	-79.4	178.6	173.8	0	0	105
9	Y	37.1	Very low	36.3	Very low	227 Å²	227	161.4 Å²	161.4	89%	0.89	84%	0.84	S	S	*	*			trans	-118.1	103.6	162.6	-89.4	-80.4	0	0	0	106.4	C11	Y9-C11 PolarHBondContact O-N 3.03Å
10	D	32.3	Very low	36.2	Very low	159 Å²	159	159.4 Å²	159.4	85%	0.85	84%	0.835	S	S	*	*			trans	-55.6	124.6	165.8	-67.5	-43.2	0	0	0	109.4
11	C	33.3	Very low	36.3	Very low	125 Å²	125	158.9 Å²	158.9	85%	0.845	83%	0.832	S	S	*	*			trans	-125.1	69.2	174	-173.7	0	0	0	0	108.6	Y9	Y9-C11 PolarHBondContact O-N 3.03Å
12	D	34.4	Very low	36.5	Very low	164 Å²	164	152.8 Å²	152.8	88%	0.877	81%	0.811	S	S	*	*			trans	-121.7	94.6	167.7	-82.7	-25.9	0	0	0	108.3
13	S	40.3	Very low	36.7	Very low	93 Å²	93	153.3 Å²	153.3	65%	0.65	81%	0.808	S	S	*	*			trans	-178.6	87.2	156.1	178	0	0	0	0	109.7
14	D	43.1	Very low	37	Very low	166 Å²	166	150.7 Å²	150.7	89%	0.888	80%	0.803	S	S	*	*			trans	-98.2	82.4	157.1	-83.4	-28.9	0	0	0	107.6
15	D	38	Very low	37.4	Very low	140 Å²	140	152.9 Å²	152.9	75%	0.749	81%	0.805	S	S	*	*			trans	-77.5	121.2	170.4	-98	-23.9	0	0	0	109.8	Q17	D15-Q17 PolarHBondContact O-N 2.97Å; D15-Q17 VanDerWaalsContact O-N 3.11Å
16	W	36.9	Very low	38.2	Very low	256 Å²	256	149.8 Å²	149.8	97%	0.97	80%	0.796	S	S	*	*			trans	-58.8	110.5	173	-69.3	87.2	0	0	0	110.7	E18	W16-E18 PolarHBondContact O-N 3.47Å
17	Q	34.1	Very low	39.3	Very low	182 Å²	182	149.6 Å²	149.6	85%	0.85	80%	0.797	S	S	*	*			trans	-82.9	112.6	172.1	-75.9	-177.6	-7.1	0	0	110.3	D15 V19	D15-Q17 PolarHBondContact O-N 2.97Å; D15-Q17 VanDerWaalsContact O-N 3.11Å; Q17-V19 PolarHBondContact O-N 3.34Å; Q17-V19 VanDerWaalsContact O-N 3.14Å
18	E	36.2	Very low	41.2	Very low	172 Å²	172	146.4 Å²	146.4	80%	0.804	78%	0.78	S	S	*	*			trans	-61.2	111.9	166.4	-171	175.5	-163.3	0	0	109	W16 T20	W16-E18 PolarHBondContact O-N 3.47Å; E18-T20 VanDerWaalsContact C-N 3.31Å; E18-T20 PolarHBondContact O-N 3.14Å
19	V	41.1	Very low	43.9	Very low	124 Å²	124	143 Å²	143	75%	0.752	76%	0.762	S	S	*	*			trans	-71.6	89.4	178.5	-175.7	0	0	0	0	108.3	Q17 L21	Q17-V19 PolarHBondContact O-N 3.34Å; Q17-V19 VanDerWaalsContact O-N 3.14Å; V19-L21 HydrophobicContact CG1-CG 4.5Å; V19-L21 PolarHBondContact O-N 3.26Å; V19-L21 VanDerWaalsContact O-N 3.11Å
20	T	34.4	Very low	46.5	Very low	120 Å²	120	133 Å²	133	74%	0.736	72%	0.723	S	S	*	*			trans	-73.3	97.8	167.5	18.1	0	0	0	0	108	E18	E18-T20 VanDerWaalsContact C-N 3.31Å; E18-T20 PolarHBondContact O-N 3.14Å
21	L	37.9	Very low	49.4	Very low	149 Å²	149	126.7 Å²	126.7	78%	0.78	69%	0.69	S	S	*	*			trans	-62.3	131.3	170.3	-76.7	168.5	0	0	0	109.1	V19 D23	V19-L21 HydrophobicContact CG1-CG 4.5Å; V19-L21 PolarHBondContact O-N 3.26Å; V19-L21 VanDerWaalsContact O-N 3.11Å; L21-D23 PolarHBondContact O-N 2.84Å
22	P	37.6	Very low	52.2	Low	110 Å²	110	120.8 Å²	120.8	71%	0.714	65%	0.65	S	S	*	*			trans	-68.1	124.3	-177	-13.3	26.4	0	0	0	111.5	S24	P22-S24 PolarHBondContact O-N 3.43Å
23	D	39.1	Very low	55	Low	144 Å²	144	113.4 Å²	113.4	77%	0.77	61%	0.611	S	S	*	*			trans	36.5	69.1	155.6	-64.7	-22.2	0	0	0	116.8	L21	L21-D23 PolarHBondContact O-N 2.84Å
24	S	41.5	Very low	57.3	Low	107 Å²	107	111.5 Å²	111.5	75%	0.748	59%	0.592	S	S	*	*			trans	-101.7	74.5	145.9	-56.7	0	0	0	0	107.5	P22 S26	P22-S24 PolarHBondContact O-N 3.43Å; S24-S26 PolarHBondContact O-N 3.05Å
25	L	45.1	Very low	59.5	Low	152 Å²	152	105.4 Å²	105.4	80%	0.796	56%	0.562	S	S	*	*			trans	-64.8	62.4	161.7	-79.2	154.3	0	0	0	108.4	S27	L25-S27 VanDerWaalsContact C-N 3.31Å; L25-S27 PolarHBondContact O-N 3.29Å
26	S	52.9	Low	61.9	Low	88 Å²	88	107.1 Å²	107.1	62%	0.615	57%	0.566	S	S	*	*			trans	-62.5	104.5	159.6	49.1	0	0	0	0	104.6	S24 E28	S24-S26 PolarHBondContact O-N 3.05Å; S26-E28 PolarHBondContact O-N 3.33Å
27	S	64.6	Low	64.5	Low	105 Å²	105	98.8 Å²	98.8	73%	0.734	54%	0.54	S	S	*	.			trans	-51.6	117.4	174.8	-55.1	0	0	0	0	107.2	L25 K29	L25-S27 VanDerWaalsContact C-N 3.31Å; L25-S27 PolarHBondContact O-N 3.29Å; S27-K29 PolarHBondContact O-N 2.99Å; S27-K29 VanDerWaalsContact O-N 3.15Å
28	E	74.3	Confident	67.3	Low	103 Å²	103	94.4 Å²	94.4	48%	0.481	52%	0.52	S	S	.	.			trans	-44.2	124.6	178.6	-65.8	174.5	177.3	0	0	108.4	S26 Y30 N40	S26-E28 PolarHBondContact O-N 3.33Å; E28-Y30 HydrophobicContact CB-CD2 4.42Å; E28-Y30 HydrophobicContact CB-CE2 3.69Å; E28-Y30 PolarHBondContact OE2-OH 2.97Å; E28-N40 VanDerWaalsContact O-CA 3.28Å; E28-N40 WeakPolarHBondContact O-CA 2.96Å
29	K	87.9	Confident	70	Confident	117 Å²	117	88.2 Å²	88.2	51%	0.509	49%	0.49	S	S	.	.			trans	-128	87.6	-172.9	-172.9	-177.2	166.6	-172.7	0	109.9	S27 T31 H38	S27-K29 PolarHBondContact O-N 2.99Å; S27-K29 VanDerWaalsContact O-N 3.15Å; K29-T31 PolarHBondContact O-N 2.73Å; K29-H38 WeakPolarHBondContact CE-CD2 3.37Å; K29-H38 VanDerWaalsContact CE-CG 3.49Å; K29-H38 VanDerWaalsContact CE-NE2 3.26Å; K29-H38 WeakPolarHBondContact CE-NE2 3.5Å; K29-H38 HydrophobicContact CG-CB 4.24Å
30	Y	91.7	Very high	72.3	Confident	17 Å²	17	87.1 Å²	87.1	7%	0.067	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	106.7	176.9	-56.7	-76.6	0	0	0	110.3	E28 H38 F39 A42 F45 E113 V114 I117	E28-Y30 HydrophobicContact CB-CD2 4.42Å; E28-Y30 HydrophobicContact CB-CE2 3.69Å; E28-Y30 PolarHBondContact OE2-OH 2.97Å; Y30-H38 CarbonylContact O-C 3.38Å; Y30-H38 WeakPolarHBondContact O-CA 3.45Å; Y30-F39 PolarHBondContact N-O 3.34Å; Y30-F39 PolarHBondContact O-N 3.41Å; Y30-A42 HydrophobicContact CE2-CB 4.43Å; Y30-F45 HydrophobicContact CG-CB 4.46Å; Y30-E113 HydrophobicContact CD1-CB 4.02Å; Y30-E113 HydrophobicContact CE1-CB 4.01Å; Y30-E113 VanDerWaalsContact CE1-O 3.27Å; Y30-E113 WeakPolarHBondContact CE1-O 3.47Å; Y30-V114 HydrophobicContact CD1-CG2 4.31Å; Y30-I117 HydrophobicContact CD1-CD1 3.83Å; Y30-I117 HydrophobicContact CD1-CG1 3.97Å; Y30-I117 HydrophobicContact CE1-CD1 3.92Å; Y30-I117 HydrophobicContact CE1-CG1 3.54Å
31	T	92.4	Very high	74.8	Confident	27 Å²	27	83.9 Å²	83.9	17%	0.166	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.6	175.8	-51.6	0	0	0	0	109.5	K29 H38 F45 R81 V114	K29-T31 PolarHBondContact O-N 2.73Å; T31-H38 PolarHBondContact OG1-CD2 3.36Å; T31-H38 PolarHBondContact OG1-NE2 3.33Å; T31-F45 WeakPolarHBondContact O-CE2 3.39Å; T31-R81 PolarHBondContact O-NH2 3.23Å; T31-V114 WeakPolarHBondContact O-CG2 3.29Å
32	C	93.2	Very high	77.2	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	43%	0.43	C	S	.	.			trans	-54.4	141.6	176.2	178.2	0	0	0	0	111.5	M34 C35 N37 F39 H48 H53 R81	C32-M34 VanDerWaalsContact C-N 3.27Å; C32-M34 PolarHBondContact O-N 2.82Å; C32-M34 PolarHBondContact SG-N 2.8Å; C32-C35 WeakPolarHBondContact CB-O 3.47Å; C32-C35 VanDerWaalsContact CB-SG 3.59Å; C32-C35 PolarHBondContact SG-SG 3.5Å; C32-N37 HydrophobicContact CB-CB 4.32Å; C32-N37 PolarHBondContact N-O 3.41Å; C32-F39 HydrophobicContact CB-CE2 4.23Å; C32-H48 PolarHBondContact SG-CD2 3.16Å; C32-H48 PolarHBondContact SG-NE2 3.28Å; C32-H53 PolarHBondContact SG-CD2 3.34Å; C32-H53 PolarHBondContact SG-NE2 3.02Å; C32-R81 PolarHBondContact O-NH1 3.15Å; C32-R81 PolarHBondContact O-NH2 2.88Å
33	L	91.7	Very high	79.5	Confident	9 Å²	9	76.4 Å²	76.4	5%	0.047	42%	0.422	C	S	.	.	S	Bend	trans	-63.1	-31.3	-179.4	-63.5	-179	0	0	0	113.7	F45 L49 W55 F76 V77 V80 R81 V114	L33-F45 HydrophobicContact CD1-CZ 4.4Å; L33-F45 HydrophobicContact CD2-CZ 4.35Å; L33-F45 HydrophobicContact CG-CE2 4.3Å; L33-F45 HydrophobicContact CG-CZ 3.94Å; L33-L49 HydrophobicContact CB-CD2 4.21Å; L33-L49 HydrophobicContact CD1-CD1 4.21Å; L33-L49 HydrophobicContact CG-CD1 4.43Å; L33-L49 HydrophobicContact CG-CD2 4.42Å; L33-W55 HydrophobicContact CD1-CH2 3.87Å; L33-W55 HydrophobicContact CD1-CZ3 4.03Å; L33-F76 HydrophobicContact CD1-CE1 4.24Å; L33-V77 HydrophobicContact CD2-CB 4.35Å; L33-V77 HydrophobicContact CD2-CG1 3.76Å; L33-V77 HydrophobicContact CD2-CG2 4.2Å; L33-V80 HydrophobicContact CB-CG1 3.95Å; L33-R81 PolarHBondContact O-NH1 3.24Å; L33-V114 HydrophobicContact CD2-CG1 4.01Å
34	M	88.8	Confident	81.9	Confident	53 Å²	53	72.9 Å²	72.9	26%	0.261	40%	0.403	S	S	.	.	S	Bend	trans	-114	-14.8	-167.5	-62.5	-66.9	-74.9	0	0	113.8	C32 H53 V80 P85 L88	C32-M34 VanDerWaalsContact C-N 3.27Å; C32-M34 PolarHBondContact O-N 2.82Å; C32-M34 PolarHBondContact SG-N 2.8Å; M34-H53 VanDerWaalsContact CB-CE1 3.47Å; M34-H53 WeakPolarHBondContact CB-CE1 2.99Å; M34-H53 WeakPolarHBondContact CB-ND1 3.49Å; M34-H53 HydrophobicContact CG-CB 4.29Å; M34-V80 HydrophobicContact SD-CG1 3.71Å; M34-P85 WeakPolarHBondContact CE-O 3.28Å; M34-P85 HydrophobicContact SD-CG 4.24Å; M34-L88 HydrophobicContact CE-CB 3.99Å; M34-L88 HydrophobicContact CG-CB 4.25Å; M34-L88 HydrophobicContact CG-CD1 4.27Å; M34-L88 HydrophobicContact CG-CD2 3.76Å; M34-L88 HydrophobicContact CG-CG 4.33Å; M34-L88 HydrophobicContact SD-CB 4.05Å; M34-L88 HydrophobicContact SD-CD1 3.85Å; M34-L88 HydrophobicContact SD-CD2 4.38Å; M34-L88 HydrophobicContact SD-CG 4.32Å
35	C	89.8	Confident	84.3	Confident	39 Å²	39	67.8 Å²	67.8	26%	0.264	37%	0.367	S	S	.	.	S	Bend	trans	-144.1	177.5	179	71.2	0	0	0	0	111.8	C32 N37 H48 H53	C32-C35 WeakPolarHBondContact CB-O 3.47Å; C32-C35 VanDerWaalsContact CB-SG 3.59Å; C32-C35 PolarHBondContact SG-SG 3.5Å; C35-N37 VanDerWaalsContact C-N 3.26Å; C35-N37 PolarHBondContact O-N 3.14Å; C35-N37 PolarHBondContact SG-ND2 3.21Å; C35-H48 PolarHBondContact SG-NE2 3.41Å; C35-H53 PolarHBondContact SG-NE2 3.35Å; C35-H53 VanDerWaalsContact SG-NE2 3.36Å
36	E	88.6	Confident	86.4	Confident	175 Å²	175	60.6 Å²	60.6	82%	0.818	33%	0.329	S	S	*	.	S	Bend	trans	-87.3	14.4	-174.8	-59.1	-178.6	178	0	0	113.7	H38	E36-H38 PolarHBondContact O-CE1 3.48Å; E36-H38 PolarHBondContact O-ND1 3.48Å
37	N	92.5	Very high	87.9	Confident	82 Å²	82	61.7 Å²	61.7	44%	0.439	33%	0.325	S	S	.	.			trans	-74.5	147.9	176.6	-69.6	-38.9	0	0	0	111.2	C32 C35 F39 H48	C32-N37 HydrophobicContact CB-CB 4.32Å; C32-N37 PolarHBondContact N-O 3.41Å; C35-N37 VanDerWaalsContact C-N 3.26Å; C35-N37 PolarHBondContact O-N 3.14Å; C35-N37 PolarHBondContact SG-ND2 3.21Å; N37-F39 HydrophobicContact CB-CE2 3.92Å; N37-F39 HydrophobicContact CB-CZ 3.81Å; N37-H48 PolarHBondContact ND2-CE1 3.25Å
38	H	92.1	Very high	89.2	Confident	90 Å²	90	57.6 Å²	57.6	42%	0.417	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.3	-178.3	-57	91.3	0	0	0	110.7	K29 Y30 T31 E36	K29-H38 WeakPolarHBondContact CE-CD2 3.37Å; K29-H38 VanDerWaalsContact CE-CG 3.49Å; K29-H38 VanDerWaalsContact CE-NE2 3.26Å; K29-H38 WeakPolarHBondContact CE-NE2 3.5Å; K29-H38 HydrophobicContact CG-CB 4.24Å; Y30-H38 CarbonylContact O-C 3.38Å; Y30-H38 WeakPolarHBondContact O-CA 3.45Å; T31-H38 PolarHBondContact OG1-CD2 3.36Å; T31-H38 PolarHBondContact OG1-NE2 3.33Å; E36-H38 PolarHBondContact O-CE1 3.48Å; E36-H38 PolarHBondContact O-ND1 3.48Å
39	F	92.3	Very high	89.9	Confident	41 Å²	41	52.7 Å²	52.7	18%	0.18	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.2	-178.5	-54.2	-81.3	0	0	0	109.9	Y30 C32 N37 L44 F45 H48	Y30-F39 PolarHBondContact N-O 3.34Å; Y30-F39 PolarHBondContact O-N 3.41Å; C32-F39 HydrophobicContact CB-CE2 4.23Å; N37-F39 HydrophobicContact CB-CE2 3.92Å; N37-F39 HydrophobicContact CB-CZ 3.81Å; F39-L44 HydrophobicContact CB-CB 4.15Å; F39-L44 HydrophobicContact CD1-CB 3.99Å; F39-L44 HydrophobicContact CG-CB 4.35Å; F39-F45 HydrophobicContact CB-CB 4.12Å; F39-F45 HydrophobicContact CD2-CB 4.04Å; F39-F45 HydrophobicContact CD2-CD2 4.31Å; F39-F45 HydrophobicContact CG-CB 4.26Å; F39-H48 HydrophobicContact CD2-CB 4.5Å; F39-H48 HydrophobicContact CE1-CB 3.71Å; F39-H48 AromaticContact CE1-CG 3.99Å; F39-H48 HydrophobicContact CE2-CB 3.68Å; F39-H48 AromaticContact CE2-CD2 3.45Å; F39-H48 VanDerWaalsContact CE2-CD2 3.45Å; F39-H48 WeakPolarHBondContact CE2-CD2 3.49Å; F39-H48 AromaticContact CE2-CG 3.55Å; F39-H48 HydrophobicContact CZ-CB 3.24Å; F39-H48 AromaticContact CZ-CD2 3.47Å; F39-H48 VanDerWaalsContact CZ-CD2 3.47Å; F39-H48 WeakPolarHBondContact CZ-CD2 3.38Å; F39-H48 AromaticContact CZ-CG 3.1Å; F39-H48 AromaticContact CZ-ND1 3.53Å
40	N	89.8	Confident	89.7	Confident	102 Å²	102	49.9 Å²	49.9	55%	0.545	26%	0.264	S	S	.	.	S	Bend	trans	-97.3	-1.7	-178.5	64.1	-24.9	0	0	0	114	E28 L44	E28-N40 VanDerWaalsContact O-CA 3.28Å; E28-N40 WeakPolarHBondContact O-CA 2.96Å; N40-L44 WeakPolarHBondContact OD1-CD1 3.36Å
41	T	87.9	Confident	89.4	Confident	52 Å²	52	54.7 Å²	54.7	32%	0.319	29%	0.29	S	S	.	.	S	Bend	trans	-145.5	147	175.5	65.7	0	0	0	0	109.9	L44 F45	T41-L44 PolarHBondContact O-N 2.65Å; T41-L44 WeakPolarHBondContact OG1-CD1 3.26Å; T41-L44 WeakPolarHBondContact OG1-CG 3.44Å; T41-F45 PolarHBondContact O-N 3.1Å
42	A	86.7	Confident	89.2	Confident	17 Å²	17	59.5 Å²	59.5	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-58.2	-40.8	178.3	0	0	0	0	0	113.7	Y30 L44 F45 F46 I117	Y30-A42 HydrophobicContact CE2-CB 4.43Å; A42-L44 VanDerWaalsContact C-N 3.34Å; A42-L44 PolarHBondContact O-N 3.27Å; A42-F45 WeakPolarHBondContact O-CB 3.36Å; A42-F45 PolarHBondContact O-N 2.95Å; A42-F45 VanDerWaalsContact O-N 3.17Å; A42-F46 HydrophobicContact CB-CE2 4.34Å; A42-F46 WeakPolarHBondContact O-CD2 3.37Å; A42-F46 PolarHBondContact O-N 3.05Å; A42-I117 HydrophobicContact CB-CD1 4.16Å; A42-I117 HydrophobicContact CB-CG1 4.28Å
43	P	86.5	Confident	88.9	Confident	84 Å²	84	61.6 Å²	61.6	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-60.2	-38.8	177.1	-26.5	36.4	0	0	0	113.9	F46 Q47	P43-F46 PolarHBondContact O-N 3.39Å; P43-Q47 VanDerWaalsContact O-CB 3.3Å; P43-Q47 WeakPolarHBondContact O-CB 3.24Å; P43-Q47 PolarHBondContact O-N 2.95Å
44	L	89.2	Confident	88.1	Confident	70 Å²	70	65.8 Å²	65.8	37%	0.366	34%	0.343	S	S	.	.	H	α-helix	trans	-68.6	-36.7	176.5	-71.3	175.9	0	0	0	111.8	F39 N40 T41 A42 Q47 H48	F39-L44 HydrophobicContact CB-CB 4.15Å; F39-L44 HydrophobicContact CD1-CB 3.99Å; F39-L44 HydrophobicContact CG-CB 4.35Å; N40-L44 WeakPolarHBondContact OD1-CD1 3.36Å; T41-L44 PolarHBondContact O-N 2.65Å; T41-L44 WeakPolarHBondContact OG1-CD1 3.26Å; T41-L44 WeakPolarHBondContact OG1-CG 3.44Å; A42-L44 VanDerWaalsContact C-N 3.34Å; A42-L44 PolarHBondContact O-N 3.27Å; L44-Q47 PolarHBondContact O-N 2.73Å; L44-H48 WeakPolarHBondContact O-CB 3.47Å; L44-H48 PolarHBondContact O-N 3.37Å
45	F	92.1	Very high	87.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-49.6	173.2	161.8	-94.4	0	0	0	111.7	Y30 T31 L33 F39 T41 A42 H48 L49 W73 V114 I117	Y30-F45 HydrophobicContact CG-CB 4.46Å; T31-F45 WeakPolarHBondContact O-CE2 3.39Å; L33-F45 HydrophobicContact CD1-CZ 4.4Å; L33-F45 HydrophobicContact CD2-CZ 4.35Å; L33-F45 HydrophobicContact CG-CE2 4.3Å; L33-F45 HydrophobicContact CG-CZ 3.94Å; F39-F45 HydrophobicContact CB-CB 4.12Å; F39-F45 HydrophobicContact CD2-CB 4.04Å; F39-F45 HydrophobicContact CD2-CD2 4.31Å; F39-F45 HydrophobicContact CG-CB 4.26Å; T41-F45 PolarHBondContact O-N 3.1Å; A42-F45 WeakPolarHBondContact O-CB 3.36Å; A42-F45 PolarHBondContact O-N 2.95Å; A42-F45 VanDerWaalsContact O-N 3.17Å; F45-H48 PolarHBondContact O-N 3.09Å; F45-L49 HydrophobicContact CD1-CD1 4.16Å; F45-L49 HydrophobicContact CE1-CD1 3.52Å; F45-L49 HydrophobicContact CE2-CD1 3.98Å; F45-L49 HydrophobicContact CE2-CG 4.43Å; F45-L49 HydrophobicContact CZ-CD1 3.43Å; F45-L49 VanDerWaalsContact CZ-CD1 3.43Å; F45-L49 HydrophobicContact CZ-CG 4.34Å; F45-L49 PolarHBondContact O-N 3.46Å; F45-W73 HydrophobicContact CE1-CH2 4.19Å; F45-W73 HydrophobicContact CE1-CZ2 4.42Å; F45-V114 HydrophobicContact CD2-CG2 4.39Å; F45-V114 HydrophobicContact CE1-CG1 4.07Å; F45-V114 HydrophobicContact CE2-CG1 4.12Å; F45-V114 HydrophobicContact CE2-CG2 3.8Å; F45-V114 HydrophobicContact CZ-CB 4.47Å; F45-V114 HydrophobicContact CZ-CG1 3.51Å; F45-V114 HydrophobicContact CZ-CG2 4.05Å; F45-I117 HydrophobicContact CD1-CD1 3.98Å; F45-I117 HydrophobicContact CE1-CD1 3.98Å
46	F	89.1	Confident	86.1	Confident	1 Å²	1	64.9 Å²	64.9	0%	0.004	34%	0.338	C	S	.	.	H	α-helix	trans	-66.8	-39.8	177.7	-71	-66.5	0	0	0	112.3	A42 P43 H48 L49 T50 W55 W73 I117 I119 Y122	A42-F46 HydrophobicContact CB-CE2 4.34Å; A42-F46 WeakPolarHBondContact O-CD2 3.37Å; A42-F46 PolarHBondContact O-N 3.05Å; P43-F46 PolarHBondContact O-N 3.39Å; F46-H48 VanDerWaalsContact C-N 3.27Å; F46-H48 PolarHBondContact O-N 3.33Å; F46-L49 HydrophobicContact CD1-CD1 4.39Å; F46-L49 PolarHBondContact O-N 3.27Å; F46-T50 PolarHBondContact O-N 3.47Å; F46-T50 PolarHBondContact O-OG1 3.47Å; F46-W55 AromaticContact CD1-CZ2 3.83Å; F46-W55 HydrophobicContact CD1-CZ2 3.83Å; F46-W55 AromaticContact CD1-NE1 3.93Å; F46-W55 AromaticContact CE1-CZ2 3.81Å; F46-W55 HydrophobicContact CE1-CZ2 3.81Å; F46-W73 AromaticContact CE1-CH2 3.83Å; F46-W73 HydrophobicContact CE1-CH2 3.83Å; F46-W73 HydrophobicContact CE1-CZ3 4.36Å; F46-W73 HydrophobicContact CZ-CH2 4.11Å; F46-W73 HydrophobicContact CZ-CZ2 4.37Å; F46-I117 HydrophobicContact CE2-CD1 4.21Å; F46-I117 HydrophobicContact CE2-CG2 4.04Å; F46-I117 HydrophobicContact CZ-CD1 4.18Å; F46-I117 HydrophobicContact CZ-CG2 4.04Å; F46-I119 HydrophobicContact CE1-CD1 4.48Å; F46-I119 HydrophobicContact CZ-CD1 4.02Å; F46-Y122 VanDerWaalsContact CB-OH 3.27Å; F46-Y122 WeakPolarHBondContact CB-OH 3.47Å; F46-Y122 HydrophobicContact CD1-CE1 4.08Å; F46-Y122 HydrophobicContact CD2-CD1 4.25Å; F46-Y122 AromaticContact CD2-CD2 3.93Å; F46-Y122 HydrophobicContact CD2-CD2 3.93Å; F46-Y122 AromaticContact CD2-CE1 3.72Å; F46-Y122 HydrophobicContact CD2-CE1 3.72Å; F46-Y122 AromaticContact CD2-CE2 3.36Å; F46-Y122 HydrophobicContact CD2-CE2 3.36Å; F46-Y122 HydrophobicContact CD2-CG 4.34Å; F46-Y122 AromaticContact CD2-CZ 3.23Å; F46-Y122 HydrophobicContact CE1-CD1 4.45Å; F46-Y122 HydrophobicContact CE1-CE1 4.08Å; F46-Y122 AromaticContact CE2-CD1 3.81Å; F46-Y122 HydrophobicContact CE2-CD1 3.81Å; F46-Y122 AromaticContact CE2-CD2 3.76Å; F46-Y122 HydrophobicContact CE2-CD2 3.76Å; F46-Y122 AromaticContact CE2-CE1 3.73Å; F46-Y122 HydrophobicContact CE2-CE1 3.73Å; F46-Y122 AromaticContact CE2-CE2 3.69Å; F46-Y122 HydrophobicContact CE2-CE2 3.69Å; F46-Y122 AromaticContact CE2-CG 3.82Å; F46-Y122 HydrophobicContact CE2-CG 3.82Å; F46-Y122 AromaticContact CE2-CZ 3.67Å; F46-Y122 AromaticContact CG-CE1 3.9Å; F46-Y122 HydrophobicContact CG-CE1 3.9Å; F46-Y122 HydrophobicContact CG-CE2 4.11Å; F46-Y122 AromaticContact CG-CZ 3.52Å; F46-Y122 WeakPolarHBondContact CG-OH 3.46Å; F46-Y122 AromaticContact CZ-CD1 3.92Å; F46-Y122 HydrophobicContact CZ-CD1 3.92Å; F46-Y122 AromaticContact CZ-CE1 3.91Å; F46-Y122 HydrophobicContact CZ-CE1 3.91Å; F46-Y122 HydrophobicContact CZ-CG 4.29Å
47	Q	85.6	Confident	84.9	Confident	111 Å²	111	59.8 Å²	59.8	52%	0.519	32%	0.316	S	S	.	.	H	α-helix	trans	-58.4	-41.8	175	-174.5	-178.2	13.7	0	0	111.5	P43 L44 T50 L51	P43-Q47 VanDerWaalsContact O-CB 3.3Å; P43-Q47 WeakPolarHBondContact O-CB 3.24Å; P43-Q47 PolarHBondContact O-N 2.95Å; L44-Q47 PolarHBondContact O-N 2.73Å; Q47-T50 PolarHBondContact O-N 3.24Å; Q47-L51 HydrophobicContact CG-CD1 3.93Å; Q47-L51 WeakPolarHBondContact O-CB 3.23Å; Q47-L51 VanDerWaalsContact O-CG 3.31Å; Q47-L51 WeakPolarHBondContact O-CG 3.38Å; Q47-L51 PolarHBondContact O-N 2.72Å
48	H	91.4	Very high	83.5	Confident	20 Å²	20	56 Å²	56	9%	0.093	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-45.3	175.8	172.1	74.1	0	0	0	112.4	C32 C35 N37 F39 L44 F45 F46 T50 L51 Q52 H53	C32-H48 PolarHBondContact SG-CD2 3.16Å; C32-H48 PolarHBondContact SG-NE2 3.28Å; C35-H48 PolarHBondContact SG-NE2 3.41Å; N37-H48 PolarHBondContact ND2-CE1 3.25Å; F39-H48 HydrophobicContact CD2-CB 4.5Å; F39-H48 HydrophobicContact CE1-CB 3.71Å; F39-H48 AromaticContact CE1-CG 3.99Å; F39-H48 HydrophobicContact CE2-CB 3.68Å; F39-H48 AromaticContact CE2-CD2 3.45Å; F39-H48 VanDerWaalsContact CE2-CD2 3.45Å; F39-H48 WeakPolarHBondContact CE2-CD2 3.49Å; F39-H48 AromaticContact CE2-CG 3.55Å; F39-H48 HydrophobicContact CZ-CB 3.24Å; F39-H48 AromaticContact CZ-CD2 3.47Å; F39-H48 VanDerWaalsContact CZ-CD2 3.47Å; F39-H48 WeakPolarHBondContact CZ-CD2 3.38Å; F39-H48 AromaticContact CZ-CG 3.1Å; F39-H48 AromaticContact CZ-ND1 3.53Å; L44-H48 WeakPolarHBondContact O-CB 3.47Å; L44-H48 PolarHBondContact O-N 3.37Å; F45-H48 PolarHBondContact O-N 3.09Å; F46-H48 VanDerWaalsContact C-N 3.27Å; F46-H48 PolarHBondContact O-N 3.33Å; H48-T50 VanDerWaalsContact C-N 3.27Å; H48-T50 PolarHBondContact O-N 2.92Å; H48-L51 PolarHBondContact O-N 2.86Å; H48-Q52 VanDerWaalsContact CE1-CG 3.5Å; H48-Q52 WeakPolarHBondContact CE1-CG 3.36Å; H48-Q52 WeakPolarHBondContact ND1-CG 3.32Å; H48-Q52 WeakPolarHBondContact O-CB 3.48Å; H48-Q52 PolarHBondContact O-N 3.21Å; H48-H53 AromaticContact NE2-CD2 3.8Å; H48-H53 AromaticContact NE2-NE2 3.5Å; H48-H53 PolarHBondContact NE2-NE2 2.9Å
49	L	88.7	Confident	82	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.7	-43.2	175.1	-73.9	175.3	0	0	0	111.1	L33 F45 F46 H53 D54 W55 L88	L33-L49 HydrophobicContact CB-CD2 4.21Å; L33-L49 HydrophobicContact CD1-CD1 4.21Å; L33-L49 HydrophobicContact CG-CD1 4.43Å; L33-L49 HydrophobicContact CG-CD2 4.42Å; F45-L49 HydrophobicContact CD1-CD1 4.16Å; F45-L49 HydrophobicContact CE1-CD1 3.52Å; F45-L49 HydrophobicContact CE2-CD1 3.98Å; F45-L49 HydrophobicContact CE2-CG 4.43Å; F45-L49 HydrophobicContact CZ-CD1 3.43Å; F45-L49 VanDerWaalsContact CZ-CD1 3.43Å; F45-L49 HydrophobicContact CZ-CG 4.34Å; F45-L49 PolarHBondContact O-N 3.46Å; F46-L49 HydrophobicContact CD1-CD1 4.39Å; F46-L49 PolarHBondContact O-N 3.27Å; L49-H53 HydrophobicContact CD2-CB 4.41Å; L49-H53 CarbonylContact O-C 3.59Å; L49-H53 WeakPolarHBondContact O-CA 3.29Å; L49-H53 WeakPolarHBondContact O-CB 3.08Å; L49-H53 PolarHBondContact O-N 3Å; L49-D54 PolarHBondContact O-N 3.33Å; L49-W55 HydrophobicContact CB-CB 3.76Å; L49-W55 HydrophobicContact CB-CD2 4.1Å; L49-W55 HydrophobicContact CB-CE3 4.46Å; L49-W55 HydrophobicContact CB-CG 3.91Å; L49-W55 HydrophobicContact CD1-CD2 4.24Å; L49-W55 HydrophobicContact CD1-CE3 4.29Å; L49-W55 HydrophobicContact CD1-CH2 3.63Å; L49-W55 HydrophobicContact CD1-CZ2 3.67Å; L49-W55 HydrophobicContact CD1-CZ3 4.05Å; L49-W55 VanDerWaalsContact O-CB 3.25Å; L49-W55 WeakPolarHBondContact O-CB 2.91Å; L49-W55 PolarHBondContact O-N 2.95Å; L49-L88 HydrophobicContact CD2-CD2 4.13Å
50	T	84.3	Confident	80.3	Confident	58 Å²	58	54.5 Å²	54.5	36%	0.356	29%	0.292	S	S	.	.	H	α-helix	trans	-65.3	-44.4	178.8	-65	0	0	0	0	112.3	F46 Q47 H48 W55	F46-T50 PolarHBondContact O-N 3.47Å; F46-T50 PolarHBondContact O-OG1 3.47Å; Q47-T50 PolarHBondContact O-N 3.24Å; H48-T50 VanDerWaalsContact C-N 3.27Å; H48-T50 PolarHBondContact O-N 2.92Å; T50-W55 WeakPolarHBondContact CA-O 3.4Å; T50-W55 WeakPolarHBondContact CB-O 3.45Å; T50-W55 WeakPolarHBondContact CG2-O 3.49Å; T50-W55 PolarHBondContact OG1-O 2.92Å
51	L	85.3	Confident	78.6	Confident	117 Å²	117	54 Å²	54	61%	0.613	31%	0.311	S	S	*	.	H	α-helix	trans	-78.4	-31.3	-175.4	-67.3	174.9	0	0	0	113.9	Q47 H48	Q47-L51 HydrophobicContact CG-CD1 3.93Å; Q47-L51 WeakPolarHBondContact O-CB 3.23Å; Q47-L51 VanDerWaalsContact O-CG 3.31Å; Q47-L51 WeakPolarHBondContact O-CG 3.38Å; Q47-L51 PolarHBondContact O-N 2.72Å; H48-L51 PolarHBondContact O-N 2.86Å
52	Q	87.2	Confident	76.9	Confident	129 Å²	129	58.5 Å²	58.5	60%	0.603	33%	0.328	S	S	*	.	H	α-helix	trans	-111.6	-22.7	-170.6	-61.1	-59.7	-59.2	0	0	114.3	H48	H48-Q52 VanDerWaalsContact CE1-CG 3.5Å; H48-Q52 WeakPolarHBondContact CE1-CG 3.36Å; H48-Q52 WeakPolarHBondContact ND1-CG 3.32Å; H48-Q52 WeakPolarHBondContact O-CB 3.48Å; H48-Q52 PolarHBondContact O-N 3.21Å
53	H	86.4	Confident	75.5	Confident	44 Å²	44	59.6 Å²	59.6	20%	0.204	34%	0.341	C	S	.	.	S	Bend	trans	-125.5	22.4	-173.3	-60.6	-59.8	0	0	0	113	C32 M34 C35 H48 L49 W55 L88	C32-H53 PolarHBondContact SG-CD2 3.34Å; C32-H53 PolarHBondContact SG-NE2 3.02Å; M34-H53 VanDerWaalsContact CB-CE1 3.47Å; M34-H53 WeakPolarHBondContact CB-CE1 2.99Å; M34-H53 WeakPolarHBondContact CB-ND1 3.49Å; M34-H53 HydrophobicContact CG-CB 4.29Å; C35-H53 PolarHBondContact SG-NE2 3.35Å; C35-H53 VanDerWaalsContact SG-NE2 3.36Å; H48-H53 AromaticContact NE2-CD2 3.8Å; H48-H53 AromaticContact NE2-NE2 3.5Å; H48-H53 PolarHBondContact NE2-NE2 2.9Å; L49-H53 HydrophobicContact CD2-CB 4.41Å; L49-H53 CarbonylContact O-C 3.59Å; L49-H53 WeakPolarHBondContact O-CA 3.29Å; L49-H53 WeakPolarHBondContact O-CB 3.08Å; L49-H53 PolarHBondContact O-N 3Å; H53-W55 PolarHBondContact O-N 3.37Å; H53-L88 HydrophobicContact CB-CD2 4.15Å
54	D	76	Confident	74.4	Confident	96 Å²	96	61.1 Å²	61.1	51%	0.513	34%	0.339	S	S	.	.			trans	48.6	41.5	-179.8	-165	39.8	0	0	0	113.2	L49 V56 R89	L49-D54 PolarHBondContact O-N 3.33Å; D54-V56 PolarHBondContact O-N 3.5Å; D54-V56 VanDerWaalsContact O-N 3.15Å; D54-R89 IonicContact OD2-NH1 2.96Å
55	W	73.7	Confident	73.5	Confident	12 Å²	12	59.1 Å²	59.1	5%	0.045	33%	0.331	C	S	.	.			trans	-75.8	104	177.7	-177.6	-94.6	0	0	0	111.5	L33 F46 L49 T50 H53 F58 W73 F76 L88	L33-W55 HydrophobicContact CD1-CH2 3.87Å; L33-W55 HydrophobicContact CD1-CZ3 4.03Å; F46-W55 AromaticContact CD1-CZ2 3.83Å; F46-W55 HydrophobicContact CD1-CZ2 3.83Å; F46-W55 AromaticContact CD1-NE1 3.93Å; F46-W55 AromaticContact CE1-CZ2 3.81Å; F46-W55 HydrophobicContact CE1-CZ2 3.81Å; L49-W55 HydrophobicContact CB-CB 3.76Å; L49-W55 HydrophobicContact CB-CD2 4.1Å; L49-W55 HydrophobicContact CB-CE3 4.46Å; L49-W55 HydrophobicContact CB-CG 3.91Å; L49-W55 HydrophobicContact CD1-CD2 4.24Å; L49-W55 HydrophobicContact CD1-CE3 4.29Å; L49-W55 HydrophobicContact CD1-CH2 3.63Å; L49-W55 HydrophobicContact CD1-CZ2 3.67Å; L49-W55 HydrophobicContact CD1-CZ3 4.05Å; L49-W55 VanDerWaalsContact O-CB 3.25Å; L49-W55 WeakPolarHBondContact O-CB 2.91Å; L49-W55 PolarHBondContact O-N 2.95Å; T50-W55 WeakPolarHBondContact CA-O 3.4Å; T50-W55 WeakPolarHBondContact CB-O 3.45Å; T50-W55 WeakPolarHBondContact CG2-O 3.49Å; T50-W55 PolarHBondContact OG1-O 2.92Å; H53-W55 PolarHBondContact O-N 3.37Å; W55-F58 HydrophobicContact CD2-CE1 4.14Å; W55-F58 HydrophobicContact CD2-CE2 4.28Å; W55-F58 HydrophobicContact CD2-CZ 4.05Å; W55-F58 AromaticContact CE2-CD2 3.89Å; W55-F58 AromaticContact CE2-CE1 3.97Å; W55-F58 AromaticContact CE2-CE2 3.32Å; W55-F58 AromaticContact CE2-CZ 3.49Å; W55-F58 VanDerWaalsContact CE2-CZ 3.49Å; W55-F58 AromaticContact CE3-CE1 3.91Å; W55-F58 HydrophobicContact CE3-CE1 3.91Å; W55-F58 AromaticContact CE3-CZ 3.92Å; W55-F58 HydrophobicContact CE3-CZ 3.92Å; W55-F58 AromaticContact CH2-CE1 3.67Å; W55-F58 HydrophobicContact CH2-CE1 3.67Å; W55-F58 AromaticContact CH2-CE2 3.31Å; W55-F58 HydrophobicContact CH2-CE2 3.31Å; W55-F58 AromaticContact CH2-CZ 2.84Å; W55-F58 HydrophobicContact CH2-CZ 2.84Å; W55-F58 AromaticContact CZ2-CD2 3.8Å; W55-F58 HydrophobicContact CZ2-CD2 3.8Å; W55-F58 AromaticContact CZ2-CE1 3.83Å; W55-F58 HydrophobicContact CZ2-CE1 3.83Å; W55-F58 AromaticContact CZ2-CE2 2.81Å; W55-F58 HydrophobicContact CZ2-CE2 2.81Å; W55-F58 AromaticContact CZ2-CZ 2.94Å; W55-F58 HydrophobicContact CZ2-CZ 2.94Å; W55-F58 AromaticContact CZ3-CE1 3.63Å; W55-F58 HydrophobicContact CZ3-CE1 3.63Å; W55-F58 HydrophobicContact CZ3-CE2 4.12Å; W55-F58 AromaticContact CZ3-CZ 3.3Å; W55-F58 HydrophobicContact CZ3-CZ 3.3Å; W55-F58 AromaticContact NE1-CD2 3.99Å; W55-F58 AromaticContact NE1-CE2 3.86Å; W55-W73 HydrophobicContact CH2-CH2 4.29Å; W55-W73 HydrophobicContact CH2-CZ3 4.06Å; W55-W73 HydrophobicContact CZ2-CH2 4.43Å; W55-W73 HydrophobicContact CZ2-CZ3 4.25Å; W55-F76 AromaticContact CH2-CE1 3.92Å; W55-F76 HydrophobicContact CH2-CE1 3.92Å; W55-F76 AromaticContact CZ3-CE1 3.73Å; W55-F76 HydrophobicContact CZ3-CE1 3.73Å; W55-F76 HydrophobicContact CZ3-CZ 4.17Å; W55-L88 HydrophobicContact CE3-CD2 3.46Å; W55-L88 VanDerWaalsContact CE3-CD2 3.46Å; W55-L88 HydrophobicContact CE3-CG 4.04Å; W55-L88 HydrophobicContact CZ3-CD1 4.4Å; W55-L88 HydrophobicContact CZ3-CD2 3.59Å; W55-L88 HydrophobicContact CZ3-CG 4.06Å
56	V	63.5	Low	72.6	Confident	62 Å²	62	60 Å²	60	38%	0.376	34%	0.335	S	S	.	.			trans	-75.6	143.5	165.3	-171.8	0	0	0	0	107.9	D54 F58	D54-V56 PolarHBondContact O-N 3.5Å; D54-V56 VanDerWaalsContact O-N 3.15Å; V56-F58 PolarHBondContact O-N 3.27Å
57	N	62.9	Low	72.3	Confident	67 Å²	67	60.3 Å²	60.3	36%	0.358	34%	0.337	S	S	.	.			trans	-59.3	41.6	-176.2	-78.9	-24.8	0	0	0	116.2	L59	N57-L59 WeakPolarHBondContact O-CD2 3.47Å; N57-L59 VanDerWaalsContact O-CG 3.3Å; N57-L59 WeakPolarHBondContact O-CG 3.36Å; N57-L59 PolarHBondContact O-N 3.23Å
58	F	63.4	Low	72.1	Confident	4 Å²	4	61 Å²	61	2%	0.018	34%	0.344	C	S	.	.	S	Bend	trans	48.2	26.2	173.2	-64.8	-48.4	0	0	0	116.6	W55 V56 S65 I66 F67 W73 F76 F92	W55-F58 HydrophobicContact CD2-CE1 4.14Å; W55-F58 HydrophobicContact CD2-CE2 4.28Å; W55-F58 HydrophobicContact CD2-CZ 4.05Å; W55-F58 AromaticContact CE2-CD2 3.89Å; W55-F58 AromaticContact CE2-CE1 3.97Å; W55-F58 AromaticContact CE2-CE2 3.32Å; W55-F58 AromaticContact CE2-CZ 3.49Å; W55-F58 VanDerWaalsContact CE2-CZ 3.49Å; W55-F58 AromaticContact CE3-CE1 3.91Å; W55-F58 HydrophobicContact CE3-CE1 3.91Å; W55-F58 AromaticContact CE3-CZ 3.92Å; W55-F58 HydrophobicContact CE3-CZ 3.92Å; W55-F58 AromaticContact CH2-CE1 3.67Å; W55-F58 HydrophobicContact CH2-CE1 3.67Å; W55-F58 AromaticContact CH2-CE2 3.31Å; W55-F58 HydrophobicContact CH2-CE2 3.31Å; W55-F58 AromaticContact CH2-CZ 2.84Å; W55-F58 HydrophobicContact CH2-CZ 2.84Å; W55-F58 AromaticContact CZ2-CD2 3.8Å; W55-F58 HydrophobicContact CZ2-CD2 3.8Å; W55-F58 AromaticContact CZ2-CE1 3.83Å; W55-F58 HydrophobicContact CZ2-CE1 3.83Å; W55-F58 AromaticContact CZ2-CE2 2.81Å; W55-F58 HydrophobicContact CZ2-CE2 2.81Å; W55-F58 AromaticContact CZ2-CZ 2.94Å; W55-F58 HydrophobicContact CZ2-CZ 2.94Å; W55-F58 AromaticContact CZ3-CE1 3.63Å; W55-F58 HydrophobicContact CZ3-CE1 3.63Å; W55-F58 HydrophobicContact CZ3-CE2 4.12Å; W55-F58 AromaticContact CZ3-CZ 3.3Å; W55-F58 HydrophobicContact CZ3-CZ 3.3Å; W55-F58 AromaticContact NE1-CD2 3.99Å; W55-F58 AromaticContact NE1-CE2 3.86Å; V56-F58 PolarHBondContact O-N 3.27Å; F58-S65 WeakPolarHBondContact O-CA 3.41Å; F58-I66 PolarHBondContact O-N 3.31Å; F58-F67 HydrophobicContact CD1-CE2 4.24Å; F58-F67 HydrophobicContact CD2-CD2 4.2Å; F58-F67 AromaticContact CD2-CE2 3.55Å; F58-F67 HydrophobicContact CD2-CE2 3.55Å; F58-F67 HydrophobicContact CD2-CZ 4.46Å; F58-F67 HydrophobicContact CE1-CE2 4.01Å; F58-F67 AromaticContact CE1-CZ 3.98Å; F58-F67 HydrophobicContact CE1-CZ 3.98Å; F58-F67 HydrophobicContact CE2-CD2 4.27Å; F58-F67 AromaticContact CE2-CE2 3.26Å; F58-F67 HydrophobicContact CE2-CE2 3.26Å; F58-F67 AromaticContact CE2-CZ 3.91Å; F58-F67 HydrophobicContact CE2-CZ 3.91Å; F58-F67 HydrophobicContact CG-CD2 4.49Å; F58-F67 AromaticContact CG-CE2 3.93Å; F58-F67 HydrophobicContact CG-CE2 3.93Å; F58-F67 AromaticContact CZ-CE2 3.39Å; F58-F67 HydrophobicContact CZ-CE2 3.39Å; F58-F67 AromaticContact CZ-CZ 3.52Å; F58-F67 HydrophobicContact CZ-CZ 3.52Å; F58-W73 AromaticContact CE2-CZ3 3.85Å; F58-W73 HydrophobicContact CE2-CZ3 3.85Å; F58-W73 HydrophobicContact CZ-CZ3 4.04Å; F58-F76 HydrophobicContact CE1-CE1 4.05Å; F58-F76 HydrophobicContact CE1-CZ 4.31Å; F58-F76 HydrophobicContact CZ-CD1 4.25Å; F58-F76 AromaticContact CZ-CE1 3.79Å; F58-F76 HydrophobicContact CZ-CE1 3.79Å; F58-F76 HydrophobicContact CZ-CZ 4.49Å; F58-F92 HydrophobicContact CB-CE1 4.26Å; F58-F92 HydrophobicContact CB-CE2 4.41Å; F58-F92 HydrophobicContact CB-CZ 3.72Å; F58-F92 AromaticContact CD1-CD1 3.87Å; F58-F92 HydrophobicContact CD1-CD1 3.87Å; F58-F92 AromaticContact CD1-CD2 3.59Å; F58-F92 HydrophobicContact CD1-CD2 3.59Å; F58-F92 AromaticContact CD1-CE1 3.48Å; F58-F92 HydrophobicContact CD1-CE1 3.48Å; F58-F92 VanDerWaalsContact CD1-CE1 3.48Å; F58-F92 AromaticContact CD1-CE2 3.18Å; F58-F92 HydrophobicContact CD1-CE2 3.18Å; F58-F92 AromaticContact CD1-CG 3.9Å; F58-F92 HydrophobicContact CD1-CG 3.9Å; F58-F92 AromaticContact CD1-CZ 3.09Å; F58-F92 HydrophobicContact CD1-CZ 3.09Å; F58-F92 HydrophobicContact CE1-CD1 4.23Å; F58-F92 AromaticContact CE1-CD2 3.28Å; F58-F92 HydrophobicContact CE1-CD2 3.28Å; F58-F92 HydrophobicContact CE1-CE1 4.2Å; F58-F92 AromaticContact CE1-CE2 3.26Å; F58-F92 HydrophobicContact CE1-CE2 3.26Å; F58-F92 AromaticContact CE1-CG 3.78Å; F58-F92 HydrophobicContact CE1-CG 3.78Å; F58-F92 AromaticContact CE1-CZ 3.72Å; F58-F92 HydrophobicContact CE1-CZ 3.72Å; F58-F92 HydrophobicContact CG-CE1 4.32Å; F58-F92 HydrophobicContact CG-CE2 4Å; F58-F92 AromaticContact CG-CZ 3.74Å; F58-F92 HydrophobicContact CG-CZ 3.74Å; F58-F92 HydrophobicContact CZ-CD2 4.26Å; F58-F92 HydrophobicContact CZ-CE2 4.11Å
59	L	59.6	Low	71.7	Confident	50 Å²	50	62.3 Å²	62.3	26%	0.262	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-88.3	134.4	171.9	-54.4	-174	0	0	0	108.6	N57 G63 K64 Y93	N57-L59 WeakPolarHBondContact O-CD2 3.47Å; N57-L59 VanDerWaalsContact O-CG 3.3Å; N57-L59 WeakPolarHBondContact O-CG 3.36Å; N57-L59 PolarHBondContact O-N 3.23Å; L59-G63 WeakPolarHBondContact CD2-O 3.4Å; L59-K64 CarbonylContact C-O 3.54Å; L59-K64 VanDerWaalsContact CA-O 3.28Å; L59-K64 WeakPolarHBondContact CA-O 3.31Å; L59-Y93 PolarHBondContact O-OH 2.91Å
60	D	57.7	Low	71.8	Confident	49 Å²	49	64.4 Å²	64.4	26%	0.262	36%	0.361	S	S	.	.			trans	-61.6	178.1	162.6	68.4	7.8	0	0	0	110.7	E62 G63 K64 I66	D60-E62 PolarHBondContact O-N 2.78Å; D60-E62 WeakPolarHBondContact OD1-CA 3.36Å; D60-E62 WeakPolarHBondContact OD1-CB 3.27Å; D60-E62 PolarHBondContact OD1-N 3.34Å; D60-G63 PolarHBondContact O-N 3.11Å; D60-G63 PolarHBondContact OD1-N 2.95Å; D60-K64 PolarHBondContact N-O 3.3Å; D60-K64 PolarHBondContact OD1-N 3.35Å; D60-I66 HydrophobicContact CB-CD1 4.39Å; D60-I66 HydrophobicContact CB-CG1 4.16Å
61	G	52.5	Low	72	Confident	90 Å²	90	66.5 Å²	66.5	93%	0.928	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-10.8	176.9	0	0	0	0	0	114.9
62	E	53.9	Low	72.3	Confident	148 Å²	148	61.7 Å²	61.7	69%	0.692	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-1	178.3	-59.3	-170.3	167.8	0	0	113.8	D60 K64	D60-E62 PolarHBondContact O-N 2.78Å; D60-E62 WeakPolarHBondContact OD1-CA 3.36Å; D60-E62 WeakPolarHBondContact OD1-CB 3.27Å; D60-E62 PolarHBondContact OD1-N 3.34Å; E62-K64 IonicContact OE2-NZ 3.73Å; E62-K64 PolarHBondContact OE2-NZ 3.48Å
63	G	56.9	Low	72.5	Confident	39 Å²	39	55.6 Å²	55.6	40%	0.402	31%	0.31	S	S	.	.	S	Bend	trans	89.4	15	-178.5	0	0	0	0	0	115.1	L59 D60	L59-G63 WeakPolarHBondContact CD2-O 3.4Å; D60-G63 PolarHBondContact O-N 3.11Å; D60-G63 PolarHBondContact OD1-N 2.95Å
64	K	63.6	Low	72.9	Confident	117 Å²	117	54.9 Å²	54.9	51%	0.509	31%	0.307	S	S	.	.			trans	-107.1	144.6	-179.5	-64	172.9	-173.3	143.7	0	112.4	L59 D60 E62 I66	L59-K64 CarbonylContact C-O 3.54Å; L59-K64 VanDerWaalsContact CA-O 3.28Å; L59-K64 WeakPolarHBondContact CA-O 3.31Å; D60-K64 PolarHBondContact N-O 3.3Å; D60-K64 PolarHBondContact OD1-N 3.35Å; E62-K64 IonicContact OE2-NZ 3.73Å; E62-K64 PolarHBondContact OE2-NZ 3.48Å; K64-I66 PolarHBondContact O-N 3.29Å
65	S	69.3	Low	73.7	Confident	27 Å²	27	51.7 Å²	51.7	19%	0.189	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-60.1	133.3	174.1	177.1	0	0	0	0	111.3	F58 F67 L123	F58-S65 WeakPolarHBondContact O-CA 3.41Å; S65-F67 PolarHBondContact OG-N 3.21Å; S65-F67 VanDerWaalsContact OG-N 3.07Å; S65-F67 PolarHBondContact OG-O 3.17Å; S65-L123 VanDerWaalsContact OG-CD1 3.23Å; S65-L123 WeakPolarHBondContact OG-CD1 3.37Å
66	I	73.8	Confident	74.6	Confident	18 Å²	18	51.1 Å²	51.1	9%	0.092	29%	0.286	C	S	.	.	S	Bend	trans	-77.7	-23.7	169.8	-57.2	-171.9	0	0	0	111.2	F58 D60 K64 N68 F92 Y93 M95 W97 K98	F58-I66 PolarHBondContact O-N 3.31Å; D60-I66 HydrophobicContact CB-CD1 4.39Å; D60-I66 HydrophobicContact CB-CG1 4.16Å; K64-I66 PolarHBondContact O-N 3.29Å; I66-N68 PolarHBondContact O-N 2.85Å; I66-F92 HydrophobicContact CB-CE1 4.19Å; I66-F92 HydrophobicContact CB-CE2 4.3Å; I66-F92 HydrophobicContact CB-CZ 3.6Å; I66-F92 HydrophobicContact CD1-CD1 4.25Å; I66-F92 HydrophobicContact CD1-CE1 3.48Å; I66-F92 VanDerWaalsContact CD1-CE1 3.48Å; I66-F92 HydrophobicContact CD1-CZ 3.85Å; I66-F92 HydrophobicContact CG1-CE1 3.97Å; I66-F92 HydrophobicContact CG1-CZ 3.89Å; I66-F92 HydrophobicContact CG2-CZ 4.34Å; I66-Y93 HydrophobicContact CD1-CD1 3.9Å; I66-Y93 HydrophobicContact CD1-CE1 3.84Å; I66-M95 HydrophobicContact CG2-CE 3.52Å; I66-M95 HydrophobicContact CG2-SD 4.26Å; I66-W97 HydrophobicContact CG2-CH2 4.17Å; I66-W97 HydrophobicContact CG2-CZ2 4.19Å; I66-K98 WeakPolarHBondContact O-CE 3.48Å; I66-K98 PolarHBondContact O-NZ 2.77Å
67	F	83	Confident	76.1	Confident	9 Å²	9	48.2 Å²	48.2	4%	0.039	27%	0.268	C	S	.	.			trans	-77.6	123.8	173.9	-58.4	-49.6	0	0	0	110.4	F58 S65 D72 W73 F76 F92 W97 I119 L123	F58-F67 HydrophobicContact CD1-CE2 4.24Å; F58-F67 HydrophobicContact CD2-CD2 4.2Å; F58-F67 AromaticContact CD2-CE2 3.55Å; F58-F67 HydrophobicContact CD2-CE2 3.55Å; F58-F67 HydrophobicContact CD2-CZ 4.46Å; F58-F67 HydrophobicContact CE1-CE2 4.01Å; F58-F67 AromaticContact CE1-CZ 3.98Å; F58-F67 HydrophobicContact CE1-CZ 3.98Å; F58-F67 HydrophobicContact CE2-CD2 4.27Å; F58-F67 AromaticContact CE2-CE2 3.26Å; F58-F67 HydrophobicContact CE2-CE2 3.26Å; F58-F67 AromaticContact CE2-CZ 3.91Å; F58-F67 HydrophobicContact CE2-CZ 3.91Å; F58-F67 HydrophobicContact CG-CD2 4.49Å; F58-F67 AromaticContact CG-CE2 3.93Å; F58-F67 HydrophobicContact CG-CE2 3.93Å; F58-F67 AromaticContact CZ-CE2 3.39Å; F58-F67 HydrophobicContact CZ-CE2 3.39Å; F58-F67 AromaticContact CZ-CZ 3.52Å; F58-F67 HydrophobicContact CZ-CZ 3.52Å; S65-F67 PolarHBondContact OG-N 3.21Å; S65-F67 VanDerWaalsContact OG-N 3.07Å; S65-F67 PolarHBondContact OG-O 3.17Å; F67-D72 HydrophobicContact CB-CB 4.26Å; F67-D72 HydrophobicContact CD1-CB 3.9Å; F67-W73 HydrophobicContact CD2-CE3 4.38Å; F67-W73 AromaticContact CE2-CE3 3.6Å; F67-W73 HydrophobicContact CE2-CE3 3.6Å; F67-W73 HydrophobicContact CE2-CZ3 4.04Å; F67-W73 AromaticContact CZ-CE3 3.74Å; F67-W73 HydrophobicContact CZ-CE3 3.74Å; F67-W73 HydrophobicContact CZ-CZ3 4.2Å; F67-F76 HydrophobicContact CE1-CB 3.67Å; F67-F76 HydrophobicContact CE1-CD1 4.21Å; F67-F76 AromaticContact CE1-CG 3.96Å; F67-F76 HydrophobicContact CE1-CG 3.96Å; F67-F76 HydrophobicContact CZ-CB 4Å; F67-F76 AromaticContact CZ-CD1 3.68Å; F67-F76 HydrophobicContact CZ-CD1 3.68Å; F67-F76 HydrophobicContact CZ-CE1 4.36Å; F67-F76 AromaticContact CZ-CG 3.9Å; F67-F76 HydrophobicContact CZ-CG 3.9Å; F67-F92 HydrophobicContact CD1-CE2 4.41Å; F67-F92 HydrophobicContact CE1-CD2 4.44Å; F67-F92 AromaticContact CE1-CE2 3.77Å; F67-F92 HydrophobicContact CE1-CE2 3.77Å; F67-F92 HydrophobicContact CE2-CE2 4.07Å; F67-F92 HydrophobicContact CZ-CD2 4.19Å; F67-F92 AromaticContact CZ-CE2 3.57Å; F67-F92 HydrophobicContact CZ-CE2 3.57Å; F67-W97 AromaticContact CD1-CH2 3.51Å; F67-W97 HydrophobicContact CD1-CH2 3.51Å; F67-W97 HydrophobicContact CD1-CZ2 4.44Å; F67-W97 AromaticContact CD1-CZ3 3.92Å; F67-W97 HydrophobicContact CD1-CZ3 3.92Å; F67-W97 AromaticContact CE1-CH2 3.41Å; F67-W97 HydrophobicContact CE1-CH2 3.41Å; F67-W97 VanDerWaalsContact CE1-CH2 3.41Å; F67-W97 AromaticContact CE1-CZ2 3.99Å; F67-W97 HydrophobicContact CE1-CZ2 3.99Å; F67-W97 AromaticContact CE1-CZ3 3.82Å; F67-W97 HydrophobicContact CE1-CZ3 3.82Å; F67-I119 HydrophobicContact CD2-CG1 4Å; F67-I119 HydrophobicContact CE2-CG1 4.45Å; F67-L123 HydrophobicContact CB-CD1 4.3Å; F67-L123 HydrophobicContact CD2-CD1 4.5Å
68	N	80.8	Confident	77.6	Confident	126 Å²	126	45 Å²	45	67%	0.674	25%	0.251	S	S	*	.			trans	-87.6	-27.9	177.8	-65.9	-39	0	0	0	112.6	I66 D72 K98	I66-N68 PolarHBondContact O-N 2.85Å; N68-D72 PolarHBondContact N-OD2 3.2Å; N68-K98 PolarHBondContact ND2-NZ 3.17Å
69	D	84	Confident	79	Confident	47 Å²	47	46.4 Å²	46.4	25%	0.251	26%	0.257	S	S	.	.	S	Bend	trans	-159.2	177.9	-174.8	59.3	28.1	0	0	0	111.4	Y71 D72 E120	D69-Y71 PolarHBondContact O-N 2.9Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.36Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.25Å; D69-Y71 PolarHBondContact OD1-N 3.3Å; D69-D72 PolarHBondContact O-N 3.3Å; D69-D72 PolarHBondContact OD1-N 3.01Å; D69-E120 WeakPolarHBondContact CA-OE1 3.47Å
70	Q	89.2	Confident	80.6	Confident	43 Å²	43	44 Å²	44	20%	0.201	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-29.1	174.3	-170.9	63.4	20.1	0	0	113.8	W73 I74 L115 I117 I119 E120	Q70-W73 WeakPolarHBondContact O-CB 3.42Å; Q70-W73 PolarHBondContact O-N 3.37Å; Q70-I74 HydrophobicContact CG-CD1 4.17Å; Q70-I74 WeakPolarHBondContact O-CG1 3.33Å; Q70-I74 PolarHBondContact O-N 3.49Å; Q70-L115 PolarHBondContact NE2-O 3.16Å; Q70-L115 VanDerWaalsContact NE2-O 3.09Å; Q70-I117 PolarHBondContact NE2-O 3.47Å; Q70-I117 PolarHBondContact OE1-O 3.15Å; Q70-I119 VanDerWaalsContact OE1-N 3.14Å; Q70-E120 PolarHBondContact N-OE1 3.35Å
71	Y	90.4	Very high	82.3	Confident	103 Å²	103	43 Å²	43	40%	0.404	24%	0.237	S	C	.	.	H	α-helix	trans	-71.7	-39.1	-178.7	-64.6	-73.7	0	0	0	111.8	D69 W73 I74 R75 L105	D69-Y71 PolarHBondContact O-N 2.9Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.36Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.25Å; D69-Y71 PolarHBondContact OD1-N 3.3Å; Y71-W73 VanDerWaalsContact C-N 3.26Å; Y71-W73 PolarHBondContact O-N 3.39Å; Y71-I74 PolarHBondContact O-N 2.95Å; Y71-R75 WeakPolarHBondContact O-CB 3.42Å; Y71-R75 VanDerWaalsContact O-CG 3.24Å; Y71-R75 WeakPolarHBondContact O-CG 3.31Å; Y71-R75 PolarHBondContact O-N 3.23Å; Y71-L105 HydrophobicContact CD1-CD2 4.08Å
72	D	90.6	Very high	84.1	Confident	16 Å²	16	45.1 Å²	45.1	9%	0.086	22%	0.221	C	C	.	.	H	α-helix	trans	-57.2	-41.5	172.4	-92	-10.6	0	0	0	111.2	F67 N68 D69 R75 F76 W97 K98	F67-D72 HydrophobicContact CB-CB 4.26Å; F67-D72 HydrophobicContact CD1-CB 3.9Å; N68-D72 PolarHBondContact N-OD2 3.2Å; D69-D72 PolarHBondContact O-N 3.3Å; D69-D72 PolarHBondContact OD1-N 3.01Å; D72-R75 PolarHBondContact O-N 2.94Å; D72-F76 WeakPolarHBondContact O-CB 3.33Å; D72-F76 PolarHBondContact O-N 3Å; D72-W97 HydrophobicContact CB-CZ3 4.03Å; D72-W97 WeakPolarHBondContact O-CZ3 3.47Å; D72-K98 IonicContact OD1-NZ 3.03Å; D72-K98 WeakPolarHBondContact OD2-CE 3.36Å; D72-K98 IonicContact OD2-NZ 3.73Å; D72-K98 PolarHBondContact OD2-NZ 3.04Å
73	W	92.1	Very high	85.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-50.6	174.2	170.6	-112.2	0	0	0	112.4	F45 F46 W55 F58 F67 Q70 Y71 R75 F76 V77 V114 I117 I119	F45-W73 HydrophobicContact CE1-CH2 4.19Å; F45-W73 HydrophobicContact CE1-CZ2 4.42Å; F46-W73 AromaticContact CE1-CH2 3.83Å; F46-W73 HydrophobicContact CE1-CH2 3.83Å; F46-W73 HydrophobicContact CE1-CZ3 4.36Å; F46-W73 HydrophobicContact CZ-CH2 4.11Å; F46-W73 HydrophobicContact CZ-CZ2 4.37Å; W55-W73 HydrophobicContact CH2-CH2 4.29Å; W55-W73 HydrophobicContact CH2-CZ3 4.06Å; W55-W73 HydrophobicContact CZ2-CH2 4.43Å; W55-W73 HydrophobicContact CZ2-CZ3 4.25Å; F58-W73 AromaticContact CE2-CZ3 3.85Å; F58-W73 HydrophobicContact CE2-CZ3 3.85Å; F58-W73 HydrophobicContact CZ-CZ3 4.04Å; F67-W73 HydrophobicContact CD2-CE3 4.38Å; F67-W73 AromaticContact CE2-CE3 3.6Å; F67-W73 HydrophobicContact CE2-CE3 3.6Å; F67-W73 HydrophobicContact CE2-CZ3 4.04Å; F67-W73 AromaticContact CZ-CE3 3.74Å; F67-W73 HydrophobicContact CZ-CE3 3.74Å; F67-W73 HydrophobicContact CZ-CZ3 4.2Å; Q70-W73 WeakPolarHBondContact O-CB 3.42Å; Q70-W73 PolarHBondContact O-N 3.37Å; Y71-W73 VanDerWaalsContact C-N 3.26Å; Y71-W73 PolarHBondContact O-N 3.39Å; W73-R75 VanDerWaalsContact C-N 3.31Å; W73-R75 PolarHBondContact O-N 3.09Å; W73-F76 HydrophobicContact CZ3-CD1 4.41Å; W73-F76 PolarHBondContact O-N 2.83Å; W73-V77 HydrophobicContact CD2-CG2 3.84Å; W73-V77 HydrophobicContact CE3-CG2 4.12Å; W73-V77 HydrophobicContact CG-CG2 4.48Å; W73-V77 HydrophobicContact CH2-CG2 3.92Å; W73-V77 HydrophobicContact CZ2-CG2 3.62Å; W73-V77 HydrophobicContact CZ3-CG2 4.15Å; W73-V77 WeakPolarHBondContact O-CG2 3.46Å; W73-V77 PolarHBondContact O-N 3.45Å; W73-V114 HydrophobicContact CH2-CG1 4.29Å; W73-V114 HydrophobicContact CZ2-CG1 3.57Å; W73-V114 PolarHBondContact NE1-O 3.44Å; W73-I117 HydrophobicContact CZ2-CD1 4.14Å; W73-I119 HydrophobicContact CB-CB 3.95Å; W73-I119 HydrophobicContact CB-CG1 4.12Å; W73-I119 HydrophobicContact CB-CG2 3.75Å; W73-I119 HydrophobicContact CD2-CB 4.28Å; W73-I119 HydrophobicContact CD2-CD1 3.92Å; W73-I119 HydrophobicContact CD2-CG1 4.04Å; W73-I119 HydrophobicContact CE3-CD1 3.74Å; W73-I119 HydrophobicContact CE3-CG1 4.03Å; W73-I119 HydrophobicContact CG-CB 3.92Å; W73-I119 HydrophobicContact CG-CD1 4.46Å; W73-I119 HydrophobicContact CG-CG1 4.1Å; W73-I119 HydrophobicContact CG-CG2 4.25Å; W73-I119 HydrophobicContact CH2-CD1 4.46Å; W73-I119 HydrophobicContact CZ3-CD1 4.04Å
74	I	93.7	Very high	87.5	Confident	30 Å²	30	47.6 Å²	47.6	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-57.3	-46	178.2	-69.5	166.8	0	0	0	110.8	Q70 Y71 F76 V77 N78 L105 L115	Q70-I74 HydrophobicContact CG-CD1 4.17Å; Q70-I74 WeakPolarHBondContact O-CG1 3.33Å; Q70-I74 PolarHBondContact O-N 3.49Å; Y71-I74 PolarHBondContact O-N 2.95Å; I74-F76 PolarHBondContact O-N 3.2Å; I74-V77 PolarHBondContact O-N 3.45Å; I74-N78 WeakPolarHBondContact O-CB 3.37Å; I74-N78 PolarHBondContact O-N 3.49Å; I74-N78 PolarHBondContact O-ND2 3.48Å; I74-L105 HydrophobicContact CG2-CD2 4.36Å; I74-L115 HydrophobicContact CB-CD2 4.34Å; I74-L115 HydrophobicContact CG1-CD2 4.28Å; I74-L115 HydrophobicContact CG2-CD2 4.19Å
75	R	93.7	Very high	88.7	Confident	29 Å²	29	43.2 Å²	43.2	11%	0.109	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-45.8	178.5	-72.5	173.4	-173.3	-74.8	5.2	111.7	Y71 D72 W73 F79 W97 T99 S101 L104 L105	Y71-R75 WeakPolarHBondContact O-CB 3.42Å; Y71-R75 VanDerWaalsContact O-CG 3.24Å; Y71-R75 WeakPolarHBondContact O-CG 3.31Å; Y71-R75 PolarHBondContact O-N 3.23Å; D72-R75 PolarHBondContact O-N 2.94Å; W73-R75 VanDerWaalsContact C-N 3.31Å; W73-R75 PolarHBondContact O-N 3.09Å; R75-F79 WeakPolarHBondContact O-CB 3.45Å; R75-F79 PolarHBondContact O-N 3.17Å; R75-W97 HydrophobicContact CB-CE3 4.42Å; R75-T99 PolarHBondContact NH1-O 3.43Å; R75-T99 PolarHBondContact NH2-O 3.4Å; R75-S101 PolarHBondContact NH1-O 3.49Å; R75-L104 HydrophobicContact CB-CB 4.19Å; R75-L104 HydrophobicContact CG-CB 4.12Å; R75-L105 HydrophobicContact CG-CD2 3.8Å
76	F	92.4	Very high	89.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-47.7	-180	176.4	-107.2	0	0	0	112	L33 W55 F58 F67 D72 W73 I74 N78 F79 V80 L88 F92 W97	L33-F76 HydrophobicContact CD1-CE1 4.24Å; W55-F76 AromaticContact CH2-CE1 3.92Å; W55-F76 HydrophobicContact CH2-CE1 3.92Å; W55-F76 AromaticContact CZ3-CE1 3.73Å; W55-F76 HydrophobicContact CZ3-CE1 3.73Å; W55-F76 HydrophobicContact CZ3-CZ 4.17Å; F58-F76 HydrophobicContact CE1-CE1 4.05Å; F58-F76 HydrophobicContact CE1-CZ 4.31Å; F58-F76 HydrophobicContact CZ-CD1 4.25Å; F58-F76 AromaticContact CZ-CE1 3.79Å; F58-F76 HydrophobicContact CZ-CE1 3.79Å; F58-F76 HydrophobicContact CZ-CZ 4.49Å; F67-F76 HydrophobicContact CE1-CB 3.67Å; F67-F76 HydrophobicContact CE1-CD1 4.21Å; F67-F76 AromaticContact CE1-CG 3.96Å; F67-F76 HydrophobicContact CE1-CG 3.96Å; F67-F76 HydrophobicContact CZ-CB 4Å; F67-F76 AromaticContact CZ-CD1 3.68Å; F67-F76 HydrophobicContact CZ-CD1 3.68Å; F67-F76 HydrophobicContact CZ-CE1 4.36Å; F67-F76 AromaticContact CZ-CG 3.9Å; F67-F76 HydrophobicContact CZ-CG 3.9Å; D72-F76 WeakPolarHBondContact O-CB 3.33Å; D72-F76 PolarHBondContact O-N 3Å; W73-F76 HydrophobicContact CZ3-CD1 4.41Å; W73-F76 PolarHBondContact O-N 2.83Å; I74-F76 PolarHBondContact O-N 3.2Å; F76-N78 PolarHBondContact O-N 3.01Å; F76-F79 WeakPolarHBondContact O-CB 3.19Å; F76-F79 PolarHBondContact O-N 2.78Å; F76-V80 HydrophobicContact CD1-CG2 4.45Å; F76-V80 HydrophobicContact CD2-CG2 4.1Å; F76-V80 HydrophobicContact CE1-CG2 4.04Å; F76-V80 HydrophobicContact CE2-CG2 3.64Å; F76-V80 HydrophobicContact CZ-CG2 3.62Å; F76-V80 WeakPolarHBondContact O-CG2 3.39Å; F76-V80 PolarHBondContact O-N 3.24Å; F76-L88 HydrophobicContact CE1-CD1 4.43Å; F76-L88 HydrophobicContact CZ-CD1 3.78Å; F76-F92 HydrophobicContact CD2-CD2 4.14Å; F76-F92 HydrophobicContact CE1-CD2 4.41Å; F76-F92 HydrophobicContact CE2-CB 3.84Å; F76-F92 AromaticContact CE2-CD2 3.8Å; F76-F92 HydrophobicContact CE2-CD2 3.8Å; F76-F92 HydrophobicContact CE2-CG 4.33Å; F76-F92 HydrophobicContact CZ-CB 3.99Å; F76-F92 AromaticContact CZ-CD2 3.93Å; F76-F92 HydrophobicContact CZ-CD2 3.93Å; F76-F92 HydrophobicContact CZ-CG 4.42Å; F76-W97 HydrophobicContact CB-CD2 3.96Å; F76-W97 HydrophobicContact CB-CE3 3.89Å; F76-W97 HydrophobicContact CB-CG 4.42Å; F76-W97 HydrophobicContact CB-CZ3 4.21Å; F76-W97 AromaticContact CD2-CD1 3.73Å; F76-W97 AromaticContact CD2-CD2 3.92Å; F76-W97 HydrophobicContact CD2-CD2 3.92Å; F76-W97 AromaticContact CD2-CE2 3.71Å; F76-W97 AromaticContact CD2-CG 3.95Å; F76-W97 HydrophobicContact CD2-CG 3.95Å; F76-W97 HydrophobicContact CD2-CZ2 4.31Å; F76-W97 AromaticContact CD2-NE1 3.59Å; F76-W97 HydrophobicContact CG-CD2 4.41Å
77	V	93.8	Very high	90	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.7	-52.2	177.3	171.4	0	0	0	0	110.2	L33 W73 I74 F79 V80 R81 V114 L115	L33-V77 HydrophobicContact CD2-CB 4.35Å; L33-V77 HydrophobicContact CD2-CG1 3.76Å; L33-V77 HydrophobicContact CD2-CG2 4.2Å; W73-V77 HydrophobicContact CD2-CG2 3.84Å; W73-V77 HydrophobicContact CE3-CG2 4.12Å; W73-V77 HydrophobicContact CG-CG2 4.48Å; W73-V77 HydrophobicContact CH2-CG2 3.92Å; W73-V77 HydrophobicContact CZ2-CG2 3.62Å; W73-V77 HydrophobicContact CZ3-CG2 4.15Å; W73-V77 WeakPolarHBondContact O-CG2 3.46Å; W73-V77 PolarHBondContact O-N 3.45Å; I74-V77 PolarHBondContact O-N 3.45Å; V77-F79 VanDerWaalsContact C-N 3.31Å; V77-F79 PolarHBondContact O-N 2.9Å; V77-V80 PolarHBondContact O-N 3Å; V77-R81 HydrophobicContact CG1-CG 4.41Å; V77-R81 VanDerWaalsContact O-CG 3.24Å; V77-R81 WeakPolarHBondContact O-CG 3.31Å; V77-R81 PolarHBondContact O-N 3Å; V77-V114 HydrophobicContact CG1-CB 4.49Å; V77-V114 HydrophobicContact CG1-CG1 4.14Å; V77-V114 HydrophobicContact CG2-CG1 3.96Å; V77-L115 HydrophobicContact CB-CD2 3.64Å; V77-L115 HydrophobicContact CG1-CD2 3.48Å; V77-L115 VanDerWaalsContact CG1-CD2 3.48Å; V77-L115 HydrophobicContact CG1-CG 4.34Å; V77-L115 HydrophobicContact CG2-CD2 4.32Å
78	N	94.5	Very high	90.1	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-35	179.8	-73.8	-35.5	0	0	0	112.6	I74 F76 R81 K82 L104 Y106 P107 V108	I74-N78 WeakPolarHBondContact O-CB 3.37Å; I74-N78 PolarHBondContact O-N 3.49Å; I74-N78 PolarHBondContact O-ND2 3.48Å; F76-N78 PolarHBondContact O-N 3.01Å; N78-R81 PolarHBondContact O-N 3.01Å; N78-K82 VanDerWaalsContact O-CB 3.23Å; N78-K82 WeakPolarHBondContact O-CB 3.44Å; N78-K82 PolarHBondContact O-N 3.13Å; N78-L104 WeakPolarHBondContact CB-O 3.48Å; N78-L104 PolarHBondContact ND2-O 2.89Å; N78-Y106 VanDerWaalsContact CG-O 3.31Å; N78-Y106 PolarHBondContact ND2-O 2.98Å; N78-Y106 VanDerWaalsContact ND2-O 3.16Å; N78-P107 WeakPolarHBondContact OD1-CA 3.33Å; N78-V108 HydrophobicContact CB-CG2 3.92Å; N78-V108 WeakPolarHBondContact O-CG2 3.44Å; N78-V108 PolarHBondContact OD1-N 3.31Å; N78-V108 VanDerWaalsContact OD1-N 3.09Å
79	F	93.9	Very high	90.2	Very high	32 Å²	32	51.4 Å²	51.4	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-49	173.8	174.3	-98.5	0	0	0	111.8	R75 F76 V77 R81 K82 T83 A91 V96 W97 L104	R75-F79 WeakPolarHBondContact O-CB 3.45Å; R75-F79 PolarHBondContact O-N 3.17Å; F76-F79 WeakPolarHBondContact O-CB 3.19Å; F76-F79 PolarHBondContact O-N 2.78Å; V77-F79 VanDerWaalsContact C-N 3.31Å; V77-F79 PolarHBondContact O-N 2.9Å; F79-R81 VanDerWaalsContact C-N 3.33Å; F79-R81 PolarHBondContact O-N 3.29Å; F79-K82 PolarHBondContact O-N 3.34Å; F79-T83 HydrophobicContact CD2-CG2 3.97Å; F79-T83 HydrophobicContact CE2-CG2 3.7Å; F79-T83 HydrophobicContact CZ-CG2 4.04Å; F79-T83 WeakPolarHBondContact O-CB 3.47Å; F79-T83 PolarHBondContact O-N 2.68Å; F79-T83 PolarHBondContact O-OG1 3.37Å; F79-A91 HydrophobicContact CE1-CB 4.18Å; F79-V96 HydrophobicContact CE2-CB 4.39Å; F79-V96 HydrophobicContact CE2-CG1 4.13Å; F79-V96 HydrophobicContact CZ-CB 4.35Å; F79-V96 HydrophobicContact CZ-CG1 4.49Å; F79-W97 HydrophobicContact CB-CB 3.64Å; F79-W97 HydrophobicContact CD1-CB 3.99Å; F79-W97 HydrophobicContact CD1-CG 4.43Å; F79-W97 HydrophobicContact CD2-CB 4.01Å; F79-W97 HydrophobicContact CG-CB 3.62Å; F79-L104 HydrophobicContact CB-CD1 4.12Å; F79-L104 HydrophobicContact CB-CD2 4.16Å; F79-L104 HydrophobicContact CD2-CD1 4.31Å
80	V	92.6	Very high	90.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-42.5	179.1	174.2	0	0	0	0	110.5	L33 M34 F76 V77 K82 K84 P85 L88	L33-V80 HydrophobicContact CB-CG1 3.95Å; M34-V80 HydrophobicContact SD-CG1 3.71Å; F76-V80 HydrophobicContact CD1-CG2 4.45Å; F76-V80 HydrophobicContact CD2-CG2 4.1Å; F76-V80 HydrophobicContact CE1-CG2 4.04Å; F76-V80 HydrophobicContact CE2-CG2 3.64Å; F76-V80 HydrophobicContact CZ-CG2 3.62Å; F76-V80 WeakPolarHBondContact O-CG2 3.39Å; F76-V80 PolarHBondContact O-N 3.24Å; V77-V80 PolarHBondContact O-N 3Å; V80-K82 PolarHBondContact O-N 3.09Å; V80-K84 VanDerWaalsContact O-CA 3.29Å; V80-K84 WeakPolarHBondContact O-CA 3.39Å; V80-K84 PolarHBondContact O-N 3.45Å; V80-P85 HydrophobicContact CG1-CG 4.14Å; V80-P85 HydrophobicContact CG2-CG 4.41Å; V80-P85 WeakPolarHBondContact O-CD 3.44Å; V80-L88 HydrophobicContact CB-CD1 4.37Å; V80-L88 HydrophobicContact CG1-CD1 3.74Å; V80-L88 HydrophobicContact CG2-CD1 3.62Å
81	R	93.3	Very high	90	Very high	29 Å²	29	52.2 Å²	52.2	11%	0.109	25%	0.25	C	S	.	.	H	α-helix	trans	-61.2	-42.2	175.8	-67.9	-65.9	-170	-159.9	-3.2	113	T31 C32 L33 V77 N78 F79 V108 D112	T31-R81 PolarHBondContact O-NH2 3.23Å; C32-R81 PolarHBondContact O-NH1 3.15Å; C32-R81 PolarHBondContact O-NH2 2.88Å; L33-R81 PolarHBondContact O-NH1 3.24Å; V77-R81 HydrophobicContact CG1-CG 4.41Å; V77-R81 VanDerWaalsContact O-CG 3.24Å; V77-R81 WeakPolarHBondContact O-CG 3.31Å; V77-R81 PolarHBondContact O-N 3Å; N78-R81 PolarHBondContact O-N 3.01Å; F79-R81 VanDerWaalsContact C-N 3.33Å; F79-R81 PolarHBondContact O-N 3.29Å; R81-V108 HydrophobicContact CB-CB 3.77Å; R81-V108 HydrophobicContact CB-CG1 3.81Å; R81-V108 HydrophobicContact CB-CG2 4.08Å; R81-D112 IonicContact NE-OD2 3.86Å; R81-D112 IonicContact NH2-OD2 3.91Å
82	K	91.5	Very high	89.7	Confident	134 Å²	134	47.6 Å²	47.6	58%	0.583	23%	0.232	S	C	*	.	H	α-helix	trans	-75.5	-39.8	-176.2	-169.7	172.5	-175.6	176.1	0	112.6	N78 F79 V80 V108	N78-K82 VanDerWaalsContact O-CB 3.23Å; N78-K82 WeakPolarHBondContact O-CB 3.44Å; N78-K82 PolarHBondContact O-N 3.13Å; F79-K82 PolarHBondContact O-N 3.34Å; V80-K82 PolarHBondContact O-N 3.09Å; K82-V108 HydrophobicContact CB-CG2 4.27Å
83	T	90.8	Very high	89.3	Confident	70 Å²	70	51 Å²	51	43%	0.429	25%	0.245	S	C	.	.	H	α-helix	trans	-94.5	-22.1	-174.4	59.8	0	0	0	0	113.6	F79	F79-T83 HydrophobicContact CD2-CG2 3.97Å; F79-T83 HydrophobicContact CE2-CG2 3.7Å; F79-T83 HydrophobicContact CZ-CG2 4.04Å; F79-T83 WeakPolarHBondContact O-CB 3.47Å; F79-T83 PolarHBondContact O-N 2.68Å; F79-T83 PolarHBondContact O-OG1 3.37Å
84	K	90.2	Very high	88.8	Confident	169 Å²	169	55 Å²	55	74%	0.735	27%	0.266	S	S	*	.			trans	45	61.3	-175.3	-61.3	-175.1	179.3	-175.8	0	111.3	V80	V80-K84 VanDerWaalsContact O-CA 3.29Å; V80-K84 WeakPolarHBondContact O-CA 3.39Å; V80-K84 PolarHBondContact O-N 3.45Å
85	P	88.3	Confident	88.3	Confident	25 Å²	25	57.2 Å²	57.2	16%	0.162	28%	0.276	C	S	.	.			trans	-60.3	148.4	-176.4	28.5	-34.1	0	0	0	110.1	M34 V80 A91	M34-P85 WeakPolarHBondContact CE-O 3.28Å; M34-P85 HydrophobicContact SD-CG 4.24Å; V80-P85 HydrophobicContact CG1-CG 4.14Å; V80-P85 HydrophobicContact CG2-CG 4.41Å; V80-P85 WeakPolarHBondContact O-CD 3.44Å; P85-A91 HydrophobicContact CB-CB 3.64Å; P85-A91 HydrophobicContact CG-CB 3.68Å
86	V	85.2	Confident	87.9	Confident	154 Å²	154	60.5 Å²	60.5	93%	0.933	30%	0.299	S	S	*	.	S	Bend	trans	-74.1	-37.2	176.2	-179.4	0	0	0	0	110.6
87	D	85.6	Confident	87.6	Confident	82 Å²	82	60.5 Å²	60.5	44%	0.439	30%	0.299	S	S	.	.			trans	-114.9	109	177.5	-174.8	-23.5	0	0	0	109.2	R89 Q90 A91	D87-R89 VanDerWaalsContact C-N 3.31Å; D87-R89 WeakPolarHBondContact OD1-CA 3.37Å; D87-R89 WeakPolarHBondContact OD1-CB 3.49Å; D87-R89 PolarHBondContact OD1-N 3.14Å; D87-Q90 HydrophobicContact CB-CB 3.93Å; D87-Q90 PolarHBondContact OD1-N 2.82Å; D87-A91 WeakPolarHBondContact O-CB 3.31Å; D87-A91 PolarHBondContact O-N 3.19Å; D87-A91 VanDerWaalsContact O-N 3.13Å
88	L	86.1	Confident	87.3	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-34.4	-179.3	-176.2	59.7	0	0	0	111.9	M34 L49 H53 W55 F76 V80 A91 F92	M34-L88 HydrophobicContact CE-CB 3.99Å; M34-L88 HydrophobicContact CG-CB 4.25Å; M34-L88 HydrophobicContact CG-CD1 4.27Å; M34-L88 HydrophobicContact CG-CD2 3.76Å; M34-L88 HydrophobicContact CG-CG 4.33Å; M34-L88 HydrophobicContact SD-CB 4.05Å; M34-L88 HydrophobicContact SD-CD1 3.85Å; M34-L88 HydrophobicContact SD-CD2 4.38Å; M34-L88 HydrophobicContact SD-CG 4.32Å; L49-L88 HydrophobicContact CD2-CD2 4.13Å; H53-L88 HydrophobicContact CB-CD2 4.15Å; W55-L88 HydrophobicContact CE3-CD2 3.46Å; W55-L88 VanDerWaalsContact CE3-CD2 3.46Å; W55-L88 HydrophobicContact CE3-CG 4.04Å; W55-L88 HydrophobicContact CZ3-CD1 4.4Å; W55-L88 HydrophobicContact CZ3-CD2 3.59Å; W55-L88 HydrophobicContact CZ3-CG 4.06Å; F76-L88 HydrophobicContact CE1-CD1 4.43Å; F76-L88 HydrophobicContact CZ-CD1 3.78Å; V80-L88 HydrophobicContact CB-CD1 4.37Å; V80-L88 HydrophobicContact CG1-CD1 3.74Å; V80-L88 HydrophobicContact CG2-CD1 3.62Å; L88-A91 PolarHBondContact O-N 3.49Å; L88-F92 WeakPolarHBondContact O-CB 3.47Å; L88-F92 PolarHBondContact O-N 2.88Å
89	R	82.5	Confident	86.6	Confident	111 Å²	111	66 Å²	66	42%	0.419	33%	0.328	S	S	.	.	H	α-helix	trans	-70.1	-44.2	-179.2	-178.4	-179.9	175.2	178.9	0.2	110.5	D54 D87 F92 Y93	D54-R89 IonicContact OD2-NH1 2.96Å; D87-R89 VanDerWaalsContact C-N 3.31Å; D87-R89 WeakPolarHBondContact OD1-CA 3.37Å; D87-R89 WeakPolarHBondContact OD1-CB 3.49Å; D87-R89 PolarHBondContact OD1-N 3.14Å; R89-F92 WeakPolarHBondContact O-CB 3.15Å; R89-F92 PolarHBondContact O-N 3.46Å; R89-Y93 HydrophobicContact CG-CD2 3.93Å; R89-Y93 HydrophobicContact CG-CE2 3.77Å; R89-Y93 VanDerWaalsContact O-CD2 3.23Å; R89-Y93 WeakPolarHBondContact O-CD2 3.5Å; R89-Y93 PolarHBondContact O-N 3.1Å; R89-Y93 VanDerWaalsContact O-N 3.13Å
90	Q	81.9	Confident	85.8	Confident	101 Å²	101	72.1 Å²	72.1	47%	0.472	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-47.4	174.4	-171.9	63.8	43.5	0	0	110.9	D87 F92 Y93 D94	D87-Q90 HydrophobicContact CB-CB 3.93Å; D87-Q90 PolarHBondContact OD1-N 2.82Å; Q90-F92 PolarHBondContact O-N 2.98Å; Q90-Y93 PolarHBondContact O-N 3.4Å; Q90-Y93 VanDerWaalsContact O-N 3.14Å; Q90-D94 PolarHBondContact NE2-OD1 2.6Å; Q90-D94 WeakPolarHBondContact O-CB 3.3Å; Q90-D94 PolarHBondContact O-N 3.46Å
91	A	86.4	Confident	85.2	Confident	6 Å²	6	74.2 Å²	74.2	5%	0.05	38%	0.377	C	S	.	.	H	α-helix	trans	-58.3	-35	177.7	0	0	0	0	0	113.3	F79 P85 D87 L88 W97	F79-A91 HydrophobicContact CE1-CB 4.18Å; P85-A91 HydrophobicContact CB-CB 3.64Å; P85-A91 HydrophobicContact CG-CB 3.68Å; D87-A91 WeakPolarHBondContact O-CB 3.31Å; D87-A91 PolarHBondContact O-N 3.19Å; D87-A91 VanDerWaalsContact O-N 3.13Å; L88-A91 PolarHBondContact O-N 3.49Å; A91-W97 PolarHBondContact O-NE1 2.76Å
92	F	85.3	Confident	84.8	Confident	7 Å²	7	76.8 Å²	76.8	3%	0.031	39%	0.392	C	S	.	.	H	α-helix	trans	-65.5	-50.8	174.1	179.7	-109.4	0	0	0	111.9	F58 I66 F67 F76 L88 R89 Q90 M95 W97	F58-F92 HydrophobicContact CB-CE1 4.26Å; F58-F92 HydrophobicContact CB-CE2 4.41Å; F58-F92 HydrophobicContact CB-CZ 3.72Å; F58-F92 AromaticContact CD1-CD1 3.87Å; F58-F92 HydrophobicContact CD1-CD1 3.87Å; F58-F92 AromaticContact CD1-CD2 3.59Å; F58-F92 HydrophobicContact CD1-CD2 3.59Å; F58-F92 AromaticContact CD1-CE1 3.48Å; F58-F92 HydrophobicContact CD1-CE1 3.48Å; F58-F92 VanDerWaalsContact CD1-CE1 3.48Å; F58-F92 AromaticContact CD1-CE2 3.18Å; F58-F92 HydrophobicContact CD1-CE2 3.18Å; F58-F92 AromaticContact CD1-CG 3.9Å; F58-F92 HydrophobicContact CD1-CG 3.9Å; F58-F92 AromaticContact CD1-CZ 3.09Å; F58-F92 HydrophobicContact CD1-CZ 3.09Å; F58-F92 HydrophobicContact CE1-CD1 4.23Å; F58-F92 AromaticContact CE1-CD2 3.28Å; F58-F92 HydrophobicContact CE1-CD2 3.28Å; F58-F92 HydrophobicContact CE1-CE1 4.2Å; F58-F92 AromaticContact CE1-CE2 3.26Å; F58-F92 HydrophobicContact CE1-CE2 3.26Å; F58-F92 AromaticContact CE1-CG 3.78Å; F58-F92 HydrophobicContact CE1-CG 3.78Å; F58-F92 AromaticContact CE1-CZ 3.72Å; F58-F92 HydrophobicContact CE1-CZ 3.72Å; F58-F92 HydrophobicContact CG-CE1 4.32Å; F58-F92 HydrophobicContact CG-CE2 4Å; F58-F92 AromaticContact CG-CZ 3.74Å; F58-F92 HydrophobicContact CG-CZ 3.74Å; F58-F92 HydrophobicContact CZ-CD2 4.26Å; F58-F92 HydrophobicContact CZ-CE2 4.11Å; I66-F92 HydrophobicContact CB-CE1 4.19Å; I66-F92 HydrophobicContact CB-CE2 4.3Å; I66-F92 HydrophobicContact CB-CZ 3.6Å; I66-F92 HydrophobicContact CD1-CD1 4.25Å; I66-F92 HydrophobicContact CD1-CE1 3.48Å; I66-F92 VanDerWaalsContact CD1-CE1 3.48Å; I66-F92 HydrophobicContact CD1-CZ 3.85Å; I66-F92 HydrophobicContact CG1-CE1 3.97Å; I66-F92 HydrophobicContact CG1-CZ 3.89Å; I66-F92 HydrophobicContact CG2-CZ 4.34Å; F67-F92 HydrophobicContact CD1-CE2 4.41Å; F67-F92 HydrophobicContact CE1-CD2 4.44Å; F67-F92 AromaticContact CE1-CE2 3.77Å; F67-F92 HydrophobicContact CE1-CE2 3.77Å; F67-F92 HydrophobicContact CE2-CE2 4.07Å; F67-F92 HydrophobicContact CZ-CD2 4.19Å; F67-F92 AromaticContact CZ-CE2 3.57Å; F67-F92 HydrophobicContact CZ-CE2 3.57Å; F76-F92 HydrophobicContact CD2-CD2 4.14Å; F76-F92 HydrophobicContact CE1-CD2 4.41Å; F76-F92 HydrophobicContact CE2-CB 3.84Å; F76-F92 AromaticContact CE2-CD2 3.8Å; F76-F92 HydrophobicContact CE2-CD2 3.8Å; F76-F92 HydrophobicContact CE2-CG 4.33Å; F76-F92 HydrophobicContact CZ-CB 3.99Å; F76-F92 AromaticContact CZ-CD2 3.93Å; F76-F92 HydrophobicContact CZ-CD2 3.93Å; F76-F92 HydrophobicContact CZ-CG 4.42Å; L88-F92 WeakPolarHBondContact O-CB 3.47Å; L88-F92 PolarHBondContact O-N 2.88Å; R89-F92 WeakPolarHBondContact O-CB 3.15Å; R89-F92 PolarHBondContact O-N 3.46Å; Q90-F92 PolarHBondContact O-N 2.98Å; F92-M95 PolarHBondContact O-N 3.41Å; F92-W97 AromaticContact CD2-CZ2 3.98Å; F92-W97 HydrophobicContact CD2-CZ2 3.98Å; F92-W97 HydrophobicContact CE2-CH2 4.49Å; F92-W97 AromaticContact CE2-CZ2 3.97Å; F92-W97 HydrophobicContact CE2-CZ2 3.97Å; F92-W97 PolarHBondContact O-NE1 3.23Å
93	Y	82	Confident	84.6	Confident	88 Å²	88	75.4 Å²	75.4	35%	0.345	39%	0.391	S	S	.	.	H	α-helix	trans	-75	-21.1	-178	-73.6	-64.9	0	0	0	114.8	L59 I66 R89 Q90 M95	L59-Y93 PolarHBondContact O-OH 2.91Å; I66-Y93 HydrophobicContact CD1-CD1 3.9Å; I66-Y93 HydrophobicContact CD1-CE1 3.84Å; R89-Y93 HydrophobicContact CG-CD2 3.93Å; R89-Y93 HydrophobicContact CG-CE2 3.77Å; R89-Y93 VanDerWaalsContact O-CD2 3.23Å; R89-Y93 WeakPolarHBondContact O-CD2 3.5Å; R89-Y93 PolarHBondContact O-N 3.1Å; R89-Y93 VanDerWaalsContact O-N 3.13Å; Q90-Y93 PolarHBondContact O-N 3.4Å; Q90-Y93 VanDerWaalsContact O-N 3.14Å; Y93-M95 PolarHBondContact O-N 3.14Å
94	D	82.1	Confident	84.7	Confident	83 Å²	83	72.9 Å²	72.9	44%	0.444	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.1	174.9	-75.5	-17.1	0	0	0	112	Q90 V96	Q90-D94 PolarHBondContact NE2-OD1 2.6Å; Q90-D94 WeakPolarHBondContact O-CB 3.3Å; Q90-D94 PolarHBondContact O-N 3.46Å; D94-V96 HydrophobicContact CB-CG2 4.06Å; D94-V96 PolarHBondContact O-N 3.35Å
95	M	82.3	Confident	84.7	Confident	77 Å²	77	67 Å²	67	38%	0.379	35%	0.351	S	S	.	.			trans	52.9	14	177.8	-60.3	-178.5	78.5	0	0	115	I66 F92 Y93 W97 K98	I66-M95 HydrophobicContact CG2-CE 3.52Å; I66-M95 HydrophobicContact CG2-SD 4.26Å; F92-M95 PolarHBondContact O-N 3.41Å; Y93-M95 PolarHBondContact O-N 3.14Å; M95-W97 PolarHBondContact O-N 3.16Å; M95-W97 VanDerWaalsContact O-N 3.09Å; M95-K98 HydrophobicContact CE-CD 3.64Å; M95-K98 HydrophobicContact CE-CG 4.33Å; M95-K98 WeakPolarHBondContact O-CB 3.44Å; M95-K98 PolarHBondContact O-N 3Å
96	V	85.2	Confident	84.8	Confident	97 Å²	97	72 Å²	72	59%	0.588	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.8	178.3	176.5	0	0	0	0	111.8	F79 D94 K98	F79-V96 HydrophobicContact CE2-CB 4.39Å; F79-V96 HydrophobicContact CE2-CG1 4.13Å; F79-V96 HydrophobicContact CZ-CB 4.35Å; F79-V96 HydrophobicContact CZ-CG1 4.49Å; D94-V96 HydrophobicContact CB-CG2 4.06Å; D94-V96 PolarHBondContact O-N 3.35Å; V96-K98 VanDerWaalsContact C-N 3.32Å
97	W	87.2	Confident	85	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.9	175.7	53.4	-93.3	0	0	0	113.9	I66 F67 D72 R75 F76 F79 A91 F92 M95 T99 L104	I66-W97 HydrophobicContact CG2-CH2 4.17Å; I66-W97 HydrophobicContact CG2-CZ2 4.19Å; F67-W97 AromaticContact CD1-CH2 3.51Å; F67-W97 HydrophobicContact CD1-CH2 3.51Å; F67-W97 HydrophobicContact CD1-CZ2 4.44Å; F67-W97 AromaticContact CD1-CZ3 3.92Å; F67-W97 HydrophobicContact CD1-CZ3 3.92Å; F67-W97 AromaticContact CE1-CH2 3.41Å; F67-W97 HydrophobicContact CE1-CH2 3.41Å; F67-W97 VanDerWaalsContact CE1-CH2 3.41Å; F67-W97 AromaticContact CE1-CZ2 3.99Å; F67-W97 HydrophobicContact CE1-CZ2 3.99Å; F67-W97 AromaticContact CE1-CZ3 3.82Å; F67-W97 HydrophobicContact CE1-CZ3 3.82Å; D72-W97 HydrophobicContact CB-CZ3 4.03Å; D72-W97 WeakPolarHBondContact O-CZ3 3.47Å; R75-W97 HydrophobicContact CB-CE3 4.42Å; F76-W97 HydrophobicContact CB-CD2 3.96Å; F76-W97 HydrophobicContact CB-CE3 3.89Å; F76-W97 HydrophobicContact CB-CG 4.42Å; F76-W97 HydrophobicContact CB-CZ3 4.21Å; F76-W97 AromaticContact CD2-CD1 3.73Å; F76-W97 AromaticContact CD2-CD2 3.92Å; F76-W97 HydrophobicContact CD2-CD2 3.92Å; F76-W97 AromaticContact CD2-CE2 3.71Å; F76-W97 AromaticContact CD2-CG 3.95Å; F76-W97 HydrophobicContact CD2-CG 3.95Å; F76-W97 HydrophobicContact CD2-CZ2 4.31Å; F76-W97 AromaticContact CD2-NE1 3.59Å; F76-W97 HydrophobicContact CG-CD2 4.41Å; F79-W97 HydrophobicContact CB-CB 3.64Å; F79-W97 HydrophobicContact CD1-CB 3.99Å; F79-W97 HydrophobicContact CD1-CG 4.43Å; F79-W97 HydrophobicContact CD2-CB 4.01Å; F79-W97 HydrophobicContact CG-CB 3.62Å; A91-W97 PolarHBondContact O-NE1 2.76Å; F92-W97 AromaticContact CD2-CZ2 3.98Å; F92-W97 HydrophobicContact CD2-CZ2 3.98Å; F92-W97 HydrophobicContact CE2-CH2 4.49Å; F92-W97 AromaticContact CE2-CZ2 3.97Å; F92-W97 HydrophobicContact CE2-CZ2 3.97Å; F92-W97 PolarHBondContact O-NE1 3.23Å; M95-W97 PolarHBondContact O-N 3.16Å; M95-W97 VanDerWaalsContact O-N 3.09Å; W97-T99 PolarHBondContact O-N 3.2Å; W97-L104 HydrophobicContact CB-CD1 4.32Å
98	K	85.8	Confident	85.2	Confident	62 Å²	62	67.6 Å²	67.6	27%	0.27	35%	0.346	S	S	.	.			trans	-79.9	84.7	170.8	-68.9	-147.3	-178.3	-156.2	0	110	I66 N68 D72 M95 V96	I66-K98 WeakPolarHBondContact O-CE 3.48Å; I66-K98 PolarHBondContact O-NZ 2.77Å; N68-K98 PolarHBondContact ND2-NZ 3.17Å; D72-K98 IonicContact OD1-NZ 3.03Å; D72-K98 WeakPolarHBondContact OD2-CE 3.36Å; D72-K98 IonicContact OD2-NZ 3.73Å; D72-K98 PolarHBondContact OD2-NZ 3.04Å; M95-K98 HydrophobicContact CE-CD 3.64Å; M95-K98 HydrophobicContact CE-CG 4.33Å; M95-K98 WeakPolarHBondContact O-CB 3.44Å; M95-K98 PolarHBondContact O-N 3Å; V96-K98 VanDerWaalsContact C-N 3.32Å
99	T	80.4	Confident	85.4	Confident	54 Å²	54	70.4 Å²	70.4	33%	0.331	36%	0.36	S	S	.	.			trans	-127.6	153.5	178.4	-179.8	0	0	0	0	110.2	R75 W97 S101 L104	R75-T99 PolarHBondContact NH1-O 3.43Å; R75-T99 PolarHBondContact NH2-O 3.4Å; W97-T99 PolarHBondContact O-N 3.2Å; T99-S101 PolarHBondContact O-N 3.4Å; T99-S101 PolarHBondContact OG1-N 3.09Å; T99-L104 HydrophobicContact CG2-CD1 4Å
100	D	77.8	Confident	85.5	Confident	161 Å²	161	70.3 Å²	70.3	86%	0.861	37%	0.374	S	S	*	.	S	Bend	trans	-75.9	-9.2	170.2	-64.7	-38.4	0	0	0	112.7	L102	D100-L102 PolarHBondContact O-N 3.29Å
101	S	79.2	Confident	85.7	Confident	44 Å²	44	72.8 Å²	72.8	31%	0.308	39%	0.391	S	S	.	.			trans	-62	135.6	178.4	176.4	0	0	0	0	112	R75 T99 D103	R75-S101 PolarHBondContact NH1-O 3.49Å; T99-S101 PolarHBondContact O-N 3.4Å; T99-S101 PolarHBondContact OG1-N 3.09Å; S101-D103 PolarHBondContact O-N 3.48Å; S101-D103 PolarHBondContact OG-N 3.13Å; S101-D103 PolarHBondContact OG-OD2 2.95Å
102	L	85	Confident	86	Confident	83 Å²	83	73.1 Å²	73.1	44%	0.435	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-72.6	-11.8	176.6	-60.6	175.4	0	0	0	113.1	D100 L104 L105 Y106	D100-L102 PolarHBondContact O-N 3.29Å; L102-L104 VanDerWaalsContact C-N 3.25Å; L102-L104 PolarHBondContact O-N 2.93Å; L102-L105 HydrophobicContact CD2-CD1 3.69Å; L102-L105 WeakPolarHBondContact O-CB 3.5Å; L102-L105 PolarHBondContact O-N 2.87Å; L102-Y106 HydrophobicContact CB-CE2 4.42Å; L102-Y106 WeakPolarHBondContact O-CD2 3.39Å; L102-Y106 WeakPolarHBondContact O-CE2 3.27Å
103	D	88	Confident	86.2	Confident	105 Å²	105	75.7 Å²	75.7	56%	0.561	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-59.3	-33.1	-172.2	-69.4	-22.9	0	0	0	113.9	S101 L105	S101-D103 PolarHBondContact O-N 3.48Å; S101-D103 PolarHBondContact OG-N 3.13Å; S101-D103 PolarHBondContact OG-OD2 2.95Å; D103-L105 VanDerWaalsContact C-N 3.34Å
104	L	91.4	Very high	86.8	Confident	17 Å²	17	71.5 Å²	71.5	9%	0.089	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-87.8	-0.9	179.9	-66	178.1	0	0	0	113.4	R75 N78 F79 W97 T99 L102	R75-L104 HydrophobicContact CB-CB 4.19Å; R75-L104 HydrophobicContact CG-CB 4.12Å; N78-L104 WeakPolarHBondContact CB-O 3.48Å; N78-L104 PolarHBondContact ND2-O 2.89Å; F79-L104 HydrophobicContact CB-CD1 4.12Å; F79-L104 HydrophobicContact CB-CD2 4.16Å; F79-L104 HydrophobicContact CD2-CD1 4.31Å; W97-L104 HydrophobicContact CB-CD1 4.32Å; T99-L104 HydrophobicContact CG2-CD1 4Å; L102-L104 VanDerWaalsContact C-N 3.25Å; L102-L104 PolarHBondContact O-N 2.93Å
105	L	91.5	Very high	87.3	Confident	46 Å²	46	68.6 Å²	68.6	24%	0.241	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-85.7	-13.4	172.2	-61.3	-179.5	0	0	0	112.4	Y71 I74 R75 L102 D103	Y71-L105 HydrophobicContact CD1-CD2 4.08Å; I74-L105 HydrophobicContact CG2-CD2 4.36Å; R75-L105 HydrophobicContact CG-CD2 3.8Å; L102-L105 HydrophobicContact CD2-CD1 3.69Å; L102-L105 WeakPolarHBondContact O-CB 3.5Å; L102-L105 PolarHBondContact O-N 2.87Å; D103-L105 VanDerWaalsContact C-N 3.34Å
106	Y	89.3	Confident	87.7	Confident	130 Å²	130	68.3 Å²	68.3	51%	0.51	38%	0.377	S	S	.	.	S	Bend	trans	-84.8	127.2	175.8	-64.5	-78.1	0	0	0	110.8	N78 L102 V108	N78-Y106 VanDerWaalsContact CG-O 3.31Å; N78-Y106 PolarHBondContact ND2-O 2.98Å; N78-Y106 VanDerWaalsContact ND2-O 3.16Å; L102-Y106 HydrophobicContact CB-CE2 4.42Å; L102-Y106 WeakPolarHBondContact O-CD2 3.39Å; L102-Y106 WeakPolarHBondContact O-CE2 3.27Å; Y106-V108 PolarHBondContact O-N 2.95Å
107	P	90.6	Very high	87.9	Confident	80 Å²	80	64.1 Å²	64.1	52%	0.519	35%	0.351	S	S	.	.			trans	-54.6	128.7	175.4	-25.7	33.8	0	0	0	112.1	N78 L109 L115	N78-P107 WeakPolarHBondContact OD1-CA 3.33Å; P107-L109 WeakPolarHBondContact CB-O 3.44Å; P107-L115 HydrophobicContact CB-CD1 3.64Å; P107-L115 HydrophobicContact CG-CD1 3.73Å
108	V	90.3	Very high	87.9	Confident	64 Å²	64	68 Å²	68	39%	0.388	37%	0.372	S	S	.	.	S	Bend	trans	-78.3	-33.8	175.1	178.1	0	0	0	0	111.5	N78 R81 K82 Y106	N78-V108 HydrophobicContact CB-CG2 3.92Å; N78-V108 WeakPolarHBondContact O-CG2 3.44Å; N78-V108 PolarHBondContact OD1-N 3.31Å; N78-V108 VanDerWaalsContact OD1-N 3.09Å; R81-V108 HydrophobicContact CB-CB 3.77Å; R81-V108 HydrophobicContact CB-CG1 3.81Å; R81-V108 HydrophobicContact CB-CG2 4.08Å; K82-V108 HydrophobicContact CB-CG2 4.27Å; Y106-V108 PolarHBondContact O-N 2.95Å
109	L	88.4	Confident	87.9	Confident	62 Å²	62	65 Å²	65	33%	0.325	36%	0.359	S	S	.	.	S	Bend	trans	-104.3	139.9	172.1	-63.4	177.4	0	0	0	109.1	P107 D112	P107-L109 WeakPolarHBondContact CB-O 3.44Å; L109-D112 HydrophobicContact CB-CB 4.07Å
110	P	86.6	Confident	88	Confident	110 Å²	110	65.6 Å²	65.6	71%	0.714	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	139	170.1	28.4	-32.4	0	0	0	109.4	D112	P110-D112 VanDerWaalsContact C-N 3.27Å; P110-D112 PolarHBondContact O-N 2.94Å
111	D	85.4	Confident	88.1	Confident	153 Å²	153	60.6 Å²	60.6	82%	0.818	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	41.7	176.8	-48.2	-43.4	0	0	0	113.4	E113	D111-E113 PolarHBondContact O-N 3.09Å
112	D	91.4	Very high	88.1	Confident	13 Å²	13	60.8 Å²	60.8	7%	0.07	33%	0.33	C	S	.	.			trans	-73.1	95.4	178.9	-162.8	-10.9	0	0	0	111.3	R81 L109 P110 V114 L115	R81-D112 IonicContact NE-OD2 3.86Å; R81-D112 IonicContact NH2-OD2 3.91Å; L109-D112 HydrophobicContact CB-CB 4.07Å; P110-D112 VanDerWaalsContact C-N 3.27Å; P110-D112 PolarHBondContact O-N 2.94Å; D112-V114 PolarHBondContact O-N 3.17Å; D112-V114 VanDerWaalsContact OD1-CB 3.26Å; D112-V114 WeakPolarHBondContact OD1-CB 3.31Å; D112-V114 WeakPolarHBondContact OD1-CG2 3.44Å; D112-V114 PolarHBondContact OD1-N 2.93Å; D112-V114 VanDerWaalsContact OD1-N 3.1Å; D112-L115 HydrophobicContact CB-CD1 4.06Å; D112-L115 HydrophobicContact CB-CG 4.06Å; D112-L115 WeakPolarHBondContact O-CB 3.3Å; D112-L115 PolarHBondContact O-N 2.8Å
113	E	91.2	Very high	87.8	Confident	60 Å²	60	58 Å²	58	28%	0.28	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-57.9	-17.9	175.2	-67.6	-60.6	163.5	0	0	113.5	Y30 D111 L115 S116	Y30-E113 HydrophobicContact CD1-CB 4.02Å; Y30-E113 HydrophobicContact CE1-CB 4.01Å; Y30-E113 VanDerWaalsContact CE1-O 3.27Å; Y30-E113 WeakPolarHBondContact CE1-O 3.47Å; D111-E113 PolarHBondContact O-N 3.09Å; E113-L115 PolarHBondContact O-N 3.45Å; E113-S116 PolarHBondContact O-N 3.5Å; E113-S116 PolarHBondContact O-OG 2.91Å; E113-S116 PolarHBondContact OE2-OG 2.88Å
114	V	93.4	Very high	87	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-64.6	-29.1	173.9	-177.6	0	0	0	0	111.1	Y30 T31 L33 F45 W73 V77 D112 S116 I117	Y30-V114 HydrophobicContact CD1-CG2 4.31Å; T31-V114 WeakPolarHBondContact O-CG2 3.29Å; L33-V114 HydrophobicContact CD2-CG1 4.01Å; F45-V114 HydrophobicContact CD2-CG2 4.39Å; F45-V114 HydrophobicContact CE1-CG1 4.07Å; F45-V114 HydrophobicContact CE2-CG1 4.12Å; F45-V114 HydrophobicContact CE2-CG2 3.8Å; F45-V114 HydrophobicContact CZ-CB 4.47Å; F45-V114 HydrophobicContact CZ-CG1 3.51Å; F45-V114 HydrophobicContact CZ-CG2 4.05Å; W73-V114 HydrophobicContact CH2-CG1 4.29Å; W73-V114 HydrophobicContact CZ2-CG1 3.57Å; W73-V114 PolarHBondContact NE1-O 3.44Å; V77-V114 HydrophobicContact CG1-CB 4.49Å; V77-V114 HydrophobicContact CG1-CG1 4.14Å; V77-V114 HydrophobicContact CG2-CG1 3.96Å; D112-V114 PolarHBondContact O-N 3.17Å; D112-V114 VanDerWaalsContact OD1-CB 3.26Å; D112-V114 WeakPolarHBondContact OD1-CB 3.31Å; D112-V114 WeakPolarHBondContact OD1-CG2 3.44Å; D112-V114 PolarHBondContact OD1-N 2.93Å; D112-V114 VanDerWaalsContact OD1-N 3.1Å; V114-S116 VanDerWaalsContact C-N 3.31Å; V114-I117 HydrophobicContact CG1-CD1 4.21Å; V114-I117 WeakPolarHBondContact O-CG1 3.32Å
115	L	93	Very high	86.1	Confident	23 Å²	23	61.5 Å²	61.5	12%	0.12	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-73.9	-21.3	177.2	-58.7	178.1	0	0	0	113	Q70 I74 V77 P107 D112 E113	Q70-L115 PolarHBondContact NE2-O 3.16Å; Q70-L115 VanDerWaalsContact NE2-O 3.09Å; I74-L115 HydrophobicContact CB-CD2 4.34Å; I74-L115 HydrophobicContact CG1-CD2 4.28Å; I74-L115 HydrophobicContact CG2-CD2 4.19Å; V77-L115 HydrophobicContact CB-CD2 3.64Å; V77-L115 HydrophobicContact CG1-CD2 3.48Å; V77-L115 VanDerWaalsContact CG1-CD2 3.48Å; V77-L115 HydrophobicContact CG1-CG 4.34Å; V77-L115 HydrophobicContact CG2-CD2 4.32Å; P107-L115 HydrophobicContact CB-CD1 3.64Å; P107-L115 HydrophobicContact CG-CD1 3.73Å; D112-L115 HydrophobicContact CB-CD1 4.06Å; D112-L115 HydrophobicContact CB-CG 4.06Å; D112-L115 WeakPolarHBondContact O-CB 3.3Å; D112-L115 PolarHBondContact O-N 2.8Å; E113-L115 PolarHBondContact O-N 3.45Å
116	S	90.5	Very high	84.9	Confident	70 Å²	70	61.5 Å²	61.5	49%	0.49	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-85.8	-8	178.9	68.7	0	0	0	0	113.3	E113 V114 D118	E113-S116 PolarHBondContact O-N 3.5Å; E113-S116 PolarHBondContact O-OG 2.91Å; E113-S116 PolarHBondContact OE2-OG 2.88Å; V114-S116 VanDerWaalsContact C-N 3.31Å; S116-D118 PolarHBondContact O-N 3.06Å; S116-D118 VanDerWaalsContact O-N 3.16Å
117	I	89.8	Confident	83.6	Confident	10 Å²	10	60.6 Å²	60.6	5%	0.051	33%	0.334	C	S	.	.	S	Bend	trans	-59.9	119.2	173.4	-62.8	176.8	0	0	0	109	Y30 A42 F45 F46 Q70 W73 V114 I119	Y30-I117 HydrophobicContact CD1-CD1 3.83Å; Y30-I117 HydrophobicContact CD1-CG1 3.97Å; Y30-I117 HydrophobicContact CE1-CD1 3.92Å; Y30-I117 HydrophobicContact CE1-CG1 3.54Å; A42-I117 HydrophobicContact CB-CD1 4.16Å; A42-I117 HydrophobicContact CB-CG1 4.28Å; F45-I117 HydrophobicContact CD1-CD1 3.98Å; F45-I117 HydrophobicContact CE1-CD1 3.98Å; F46-I117 HydrophobicContact CE2-CD1 4.21Å; F46-I117 HydrophobicContact CE2-CG2 4.04Å; F46-I117 HydrophobicContact CZ-CD1 4.18Å; F46-I117 HydrophobicContact CZ-CG2 4.04Å; Q70-I117 PolarHBondContact NE2-O 3.47Å; Q70-I117 PolarHBondContact OE1-O 3.15Å; W73-I117 HydrophobicContact CZ2-CD1 4.14Å; V114-I117 HydrophobicContact CG1-CD1 4.21Å; V114-I117 WeakPolarHBondContact O-CG1 3.32Å; I117-I119 VanDerWaalsContact C-N 3.33Å; I117-I119 PolarHBondContact O-N 3.28Å
118	D	87.2	Confident	81.8	Confident	81 Å²	81	64.6 Å²	64.6	43%	0.433	34%	0.339	S	S	.	.			trans	-67.9	92.8	167.7	-179.6	-8.8	0	0	0	109.1	S116 E120 S121 Y122	S116-D118 PolarHBondContact O-N 3.06Å; S116-D118 VanDerWaalsContact O-N 3.16Å; D118-E120 PolarHBondContact O-N 3.37Å; D118-E120 PolarHBondContact OD1-N 3.41Å; D118-E120 VanDerWaalsContact OD1-N 3.11Å; D118-S121 VanDerWaalsContact CG-CB 3.48Å; D118-S121 VanDerWaalsContact CG-OG 3.28Å; D118-S121 PolarHBondContact OD1-N 2.98Å; D118-S121 VanDerWaalsContact OD2-CB 3.25Å; D118-S121 WeakPolarHBondContact OD2-CB 3.49Å; D118-S121 PolarHBondContact OD2-OG 3.2Å; D118-Y122 PolarHBondContact O-N 3.22Å; D118-Y122 VanDerWaalsContact O-N 3.15Å
119	I	86	Confident	79.9	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-68.6	-29.7	-176.4	-160.7	60.5	0	0	0	110.9	F46 F67 Q70 W73 I117 Y122 L123	F46-I119 HydrophobicContact CE1-CD1 4.48Å; F46-I119 HydrophobicContact CZ-CD1 4.02Å; F67-I119 HydrophobicContact CD2-CG1 4Å; F67-I119 HydrophobicContact CE2-CG1 4.45Å; Q70-I119 VanDerWaalsContact OE1-N 3.14Å; W73-I119 HydrophobicContact CB-CB 3.95Å; W73-I119 HydrophobicContact CB-CG1 4.12Å; W73-I119 HydrophobicContact CB-CG2 3.75Å; W73-I119 HydrophobicContact CD2-CB 4.28Å; W73-I119 HydrophobicContact CD2-CD1 3.92Å; W73-I119 HydrophobicContact CD2-CG1 4.04Å; W73-I119 HydrophobicContact CE3-CD1 3.74Å; W73-I119 HydrophobicContact CE3-CG1 4.03Å; W73-I119 HydrophobicContact CG-CB 3.92Å; W73-I119 HydrophobicContact CG-CD1 4.46Å; W73-I119 HydrophobicContact CG-CG1 4.1Å; W73-I119 HydrophobicContact CG-CG2 4.25Å; W73-I119 HydrophobicContact CH2-CD1 4.46Å; W73-I119 HydrophobicContact CZ3-CD1 4.04Å; I117-I119 VanDerWaalsContact C-N 3.33Å; I117-I119 PolarHBondContact O-N 3.28Å; I119-Y122 HydrophobicContact CD1-CD1 4.3Å; I119-Y122 PolarHBondContact O-N 3.43Å; I119-L123 HydrophobicContact CG1-CD1 4.01Å; I119-L123 HydrophobicContact CG1-CG 4.28Å; I119-L123 WeakPolarHBondContact O-CB 3.33Å; I119-L123 WeakPolarHBondContact O-CD1 3.49Å; I119-L123 WeakPolarHBondContact O-CG 3.24Å; I119-L123 PolarHBondContact O-N 3.43Å
120	E	81.5	Confident	77.8	Confident	66 Å²	66	67.2 Å²	67.2	31%	0.308	36%	0.357	S	S	.	.	H	α-helix	trans	-67.5	-49.4	-177.6	-62.3	-176.6	-169.9	0	0	109.7	D69 Q70 D118 Y122 L123 L124	D69-E120 WeakPolarHBondContact CA-OE1 3.47Å; Q70-E120 PolarHBondContact N-OE1 3.35Å; D118-E120 PolarHBondContact O-N 3.37Å; D118-E120 PolarHBondContact OD1-N 3.41Å; D118-E120 VanDerWaalsContact OD1-N 3.11Å; E120-Y122 PolarHBondContact O-N 3.25Å; E120-L123 PolarHBondContact O-N 2.8Å; E120-L124 WeakPolarHBondContact O-CB 3.49Å; E120-L124 WeakPolarHBondContact O-CD1 3.47Å; E120-L124 WeakPolarHBondContact O-CG 3.47Å; E120-L124 PolarHBondContact O-N 2.75Å
121	S	80	Confident	75.3	Confident	55 Å²	55	70 Å²	70	39%	0.385	36%	0.361	S	S	.	.	H	α-helix	trans	-60.3	-43.8	173.8	-70.3	0	0	0	0	112.1	D118 L123 L124 D125	D118-S121 VanDerWaalsContact CG-CB 3.48Å; D118-S121 VanDerWaalsContact CG-OG 3.28Å; D118-S121 PolarHBondContact OD1-N 2.98Å; D118-S121 VanDerWaalsContact OD2-CB 3.25Å; D118-S121 WeakPolarHBondContact OD2-CB 3.49Å; D118-S121 PolarHBondContact OD2-OG 3.2Å; S121-L123 PolarHBondContact O-N 3.3Å; S121-L124 PolarHBondContact O-N 2.82Å; S121-D125 PolarHBondContact O-N 3.33Å
122	Y	80.9	Confident	72.6	Confident	49 Å²	49	67.6 Å²	67.6	19%	0.192	36%	0.356	C	S	.	.	H	α-helix	trans	-63.1	-39.4	179.1	-179.3	-99	0	0	0	113.2	F46 D118 I119 E120 N126	F46-Y122 VanDerWaalsContact CB-OH 3.27Å; F46-Y122 WeakPolarHBondContact CB-OH 3.47Å; F46-Y122 HydrophobicContact CD1-CE1 4.08Å; F46-Y122 HydrophobicContact CD2-CD1 4.25Å; F46-Y122 AromaticContact CD2-CD2 3.93Å; F46-Y122 HydrophobicContact CD2-CD2 3.93Å; F46-Y122 AromaticContact CD2-CE1 3.72Å; F46-Y122 HydrophobicContact CD2-CE1 3.72Å; F46-Y122 AromaticContact CD2-CE2 3.36Å; F46-Y122 HydrophobicContact CD2-CE2 3.36Å; F46-Y122 HydrophobicContact CD2-CG 4.34Å; F46-Y122 AromaticContact CD2-CZ 3.23Å; F46-Y122 HydrophobicContact CE1-CD1 4.45Å; F46-Y122 HydrophobicContact CE1-CE1 4.08Å; F46-Y122 AromaticContact CE2-CD1 3.81Å; F46-Y122 HydrophobicContact CE2-CD1 3.81Å; F46-Y122 AromaticContact CE2-CD2 3.76Å; F46-Y122 HydrophobicContact CE2-CD2 3.76Å; F46-Y122 AromaticContact CE2-CE1 3.73Å; F46-Y122 HydrophobicContact CE2-CE1 3.73Å; F46-Y122 AromaticContact CE2-CE2 3.69Å; F46-Y122 HydrophobicContact CE2-CE2 3.69Å; F46-Y122 AromaticContact CE2-CG 3.82Å; F46-Y122 HydrophobicContact CE2-CG 3.82Å; F46-Y122 AromaticContact CE2-CZ 3.67Å; F46-Y122 AromaticContact CG-CE1 3.9Å; F46-Y122 HydrophobicContact CG-CE1 3.9Å; F46-Y122 HydrophobicContact CG-CE2 4.11Å; F46-Y122 AromaticContact CG-CZ 3.52Å; F46-Y122 WeakPolarHBondContact CG-OH 3.46Å; F46-Y122 AromaticContact CZ-CD1 3.92Å; F46-Y122 HydrophobicContact CZ-CD1 3.92Å; F46-Y122 AromaticContact CZ-CE1 3.91Å; F46-Y122 HydrophobicContact CZ-CE1 3.91Å; F46-Y122 HydrophobicContact CZ-CG 4.29Å; D118-Y122 PolarHBondContact O-N 3.22Å; D118-Y122 VanDerWaalsContact O-N 3.15Å; I119-Y122 HydrophobicContact CD1-CD1 4.3Å; I119-Y122 PolarHBondContact O-N 3.43Å; E120-Y122 PolarHBondContact O-N 3.25Å; Y122-N126 WeakPolarHBondContact CE1-ND2 3.43Å; Y122-N126 WeakPolarHBondContact CE2-ND2 3.43Å; Y122-N126 PolarHBondContact O-N 3.15Å; Y122-N126 PolarHBondContact O-ND2 2.81Å; Y122-N126 VanDerWaalsContact O-ND2 3.15Å; Y122-N126 PolarHBondContact OH-ND2 3.01Å
123	L	77.2	Confident	69.8	Low	25 Å²	25	73 Å²	73	13%	0.131	39%	0.392	C	S	.	.	H	α-helix	trans	-69.9	-39	177.2	-71.5	168.1	0	0	0	111.7	S65 F67 I119 E120 S121 Q127	S65-L123 VanDerWaalsContact OG-CD1 3.23Å; S65-L123 WeakPolarHBondContact OG-CD1 3.37Å; F67-L123 HydrophobicContact CB-CD1 4.3Å; F67-L123 HydrophobicContact CD2-CD1 4.5Å; I119-L123 HydrophobicContact CG1-CD1 4.01Å; I119-L123 HydrophobicContact CG1-CG 4.28Å; I119-L123 WeakPolarHBondContact O-CB 3.33Å; I119-L123 WeakPolarHBondContact O-CD1 3.49Å; I119-L123 WeakPolarHBondContact O-CG 3.24Å; I119-L123 PolarHBondContact O-N 3.43Å; E120-L123 PolarHBondContact O-N 2.8Å; S121-L123 PolarHBondContact O-N 3.3Å; L123-Q127 WeakPolarHBondContact O-CG 3.46Å; L123-Q127 PolarHBondContact O-N 2.89Å
124	L	71.9	Confident	66.9	Low	98 Å²	98	73.9 Å²	73.9	51%	0.513	42%	0.417	S	S	.	.	H	α-helix	trans	-62.4	-42.7	176	-79.1	160.7	0	0	0	112.2	E120 S121 Q127	E120-L124 WeakPolarHBondContact O-CB 3.49Å; E120-L124 WeakPolarHBondContact O-CD1 3.47Å; E120-L124 WeakPolarHBondContact O-CG 3.47Å; E120-L124 PolarHBondContact O-N 2.75Å; S121-L124 PolarHBondContact O-N 2.82Å; L124-Q127 PolarHBondContact O-N 2.87Å
125	D	71.7	Confident	63.7	Low	96 Å²	96	81.6 Å²	81.6	51%	0.513	46%	0.457	S	S	.	.	H	α-helix	trans	-68.7	-38.8	-180	-79.9	-18.9	0	0	0	112.6	S121 Q127 R128 S129	S121-D125 PolarHBondContact O-N 3.33Å; D125-Q127 VanDerWaalsContact C-N 3.33Å; D125-Q127 PolarHBondContact O-N 2.96Å; D125-R128 WeakPolarHBondContact O-CB 3.49Å; D125-R128 PolarHBondContact O-N 3.4Å; D125-R128 VanDerWaalsContact O-N 3.13Å; D125-S129 PolarHBondContact O-N 3.16Å
126	N	66	Low	60.4	Low	47 Å²	47	85.4 Å²	85.4	25%	0.251	48%	0.481	S	S	.	.	H	α-helix	trans	-69.9	-26.3	177.9	-84	-53.3	0	0	0	114	Y122 R128 S129	Y122-N126 WeakPolarHBondContact CE1-ND2 3.43Å; Y122-N126 WeakPolarHBondContact CE2-ND2 3.43Å; Y122-N126 PolarHBondContact O-N 3.15Å; Y122-N126 PolarHBondContact O-ND2 2.81Å; Y122-N126 VanDerWaalsContact O-ND2 3.15Å; Y122-N126 PolarHBondContact OH-ND2 3.01Å; N126-R128 VanDerWaalsContact C-N 3.25Å; N126-R128 PolarHBondContact O-N 2.78Å; N126-S129 WeakPolarHBondContact CA-OG 3.23Å; N126-S129 PolarHBondContact O-OG 3.13Å; N126-S129 VanDerWaalsContact O-OG 3.04Å
127	Q	62.6	Low	57.5	Low	111 Å²	111	89.1 Å²	89.1	52%	0.519	50%	0.5	S	S	.	.	H	α-helix	trans	-67.6	-27.9	171.7	-73.5	-175.4	8.8	0	0	112.2	L123 L124 D125	L123-Q127 WeakPolarHBondContact O-CG 3.46Å; L123-Q127 PolarHBondContact O-N 2.89Å; L124-Q127 PolarHBondContact O-N 2.87Å; D125-Q127 VanDerWaalsContact C-N 3.33Å; D125-Q127 PolarHBondContact O-N 2.96Å
128	R	53.5	Low	54.4	Low	163 Å²	163	96.4 Å²	96.4	62%	0.615	53%	0.533	S	S	*	.	H	α-helix	trans	-74.7	-35.6	177.5	-63.4	176.2	179.7	-178.8	2.6	112.3	D125 N126	D125-R128 WeakPolarHBondContact O-CB 3.49Å; D125-R128 PolarHBondContact O-N 3.4Å; D125-R128 VanDerWaalsContact O-N 3.13Å; N126-R128 VanDerWaalsContact C-N 3.25Å; N126-R128 PolarHBondContact O-N 2.78Å
129	S	50	Low	51.7	Low	78 Å²	78	101.1 Å²	101.1	55%	0.545	55%	0.553	S	S	.	*	H	α-helix	trans	-77	-24.4	-176.8	50	0	0	0	0	114.7	D125 N126 Q131	D125-S129 PolarHBondContact O-N 3.16Å; N126-S129 WeakPolarHBondContact CA-OG 3.23Å; N126-S129 PolarHBondContact O-OG 3.13Å; N126-S129 VanDerWaalsContact O-OG 3.04Å; S129-Q131 PolarHBondContact O-N 3.14Å
130	N	43.9	Very low	48.8	Very low	104 Å²	104	110.1 Å²	110.1	56%	0.556	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	3.9	-179.7	-83.6	-17.4	0	0	0	114.9	S132	N130-S132 VanDerWaalsContact C-N 3.31Å; N130-S132 PolarHBondContact O-N 2.96Å; N130-S132 VanDerWaalsContact O-N 3.1Å
131	Q	33.5	Very low	46.1	Very low	167 Å²	167	112.4 Å²	112.4	78%	0.78	62%	0.616	S	S	*	*			trans	-83.7	75.2	169.1	-63.5	-171.6	11.1	0	0	110.4	S129	S129-Q131 PolarHBondContact O-N 3.14Å
132	S	29.6	Very low	43.9	Very low	103 Å²	103	115.5 Å²	115.5	72%	0.72	63%	0.632	S	S	*	*			trans	-67.1	143.1	169.5	46.3	0	0	0	0	111.6	N130 G134	N130-S132 VanDerWaalsContact C-N 3.31Å; N130-S132 PolarHBondContact O-N 2.96Å; N130-S132 VanDerWaalsContact O-N 3.1Å; S132-G134 PolarHBondContact O-N 2.94Å
133	P	31.9	Very low	41.7	Very low	127 Å²	127	121.3 Å²	121.3	83%	0.825	67%	0.667	S	S	*	*			trans	-85.2	105.3	-160.7	32.3	-32.9	0	0	0	112.4
134	G	30	Very low	39.7	Very low	79 Å²	79	128 Å²	128	81%	0.814	70%	0.697	S	S	*	*			trans	-79.6	122.3	165.6	0	0	0	0	0	111.6	S132	S132-G134 PolarHBondContact O-N 2.94Å
135	I	26.7	Very low	38.3	Very low	162 Å²	162	131.9 Å²	131.9	83%	0.831	71%	0.713	S	S	*	*			trans	-55	122.5	-171	-67.6	161	0	0	0	115.6
136	V	25.2	Very low	37	Very low	102 Å²	102	130.6 Å²	130.6	62%	0.618	71%	0.71	S	S	*	*			trans	18	119.9	135.8	-168.2	0	0	0	0	119.6
137	V	29.3	Very low	36.3	Very low	148 Å²	148	133.7 Å²	133.7	90%	0.897	73%	0.73	S	S	*	*			trans	-132.1	125.1	131.1	-177.1	0	0	0	0	108.8
138	H	25	Very low	36.4	Very low	163 Å²	163	130.9 Å²	130.9	76%	0.755	72%	0.722	S	S	*	*			trans	-65.3	138.2	-179.8	-83.5	-87.9	0	0	0	113.2
139	E	28.5	Very low	37.2	Very low	180 Å²	180	129.6 Å²	129.6	84%	0.841	72%	0.724	S	S	*	*				-167	113.3	120.6	-106.8	175.5	176.6	0	0	113.2
140	K	25.9	Very low	38.3	Very low	189 Å²	189	130.4 Å²	130.4	82%	0.822	72%	0.719	S	S	*	*			trans	35.7	110.4	149.4	-65.4	176.9	-179.9	172.4	0	120.9
141	S	25.7	Very low	39.6	Very low	115 Å²	115	128.5 Å²	128.5	80%	0.804	71%	0.707	S	S	*	*			trans	50.3	105.5	133.6	-67	0	0	0	0	119.3
142	T	34.1	Very low	41.5	Very low	120 Å²	120	123.7 Å²	123.7	74%	0.736	69%	0.692	S	S	*	*				-167.8	112.5	102.4	-64.2	0	0	0	0	107.6	Q144	T142-Q144 PolarHBondContact O-N 3.07Å
143	N	34	Very low	44.1	Very low	171 Å²	171	125.3 Å²	125.3	91%	0.914	68%	0.682	S	S	*	*			trans	-67.5	91.1	176.3	-83.5	-15.2	0	0	0	110.1
144	Q	35.9	Very low	46.4	Very low	164 Å²	164	122.4 Å²	122.4	77%	0.766	66%	0.659	S	S	*	*			trans	-128.6	93.5	153	-70.3	-177.5	-1.6	0	0	105.6	T142	T142-Q144 PolarHBondContact O-N 3.07Å
145	Q	41.2	Very low	48.6	Very low	181 Å²	181	123.2 Å²	123.2	85%	0.846	64%	0.643	S	S	*	*			trans	-53.3	126.5	160.8	-85.3	174.7	-38.1	0	0	106.3	V147	Q145-V147 PolarHBondContact O-N 3.13Å; Q145-V147 VanDerWaalsContact O-N 3.08Å
146	P	45.3	Very low	51.1	Low	69 Å²	69	118.4 Å²	118.4	45%	0.448	63%	0.627	S	S	.	*			trans	-66	122.2	-166.4	24.7	-31.2	0	0	0	107.9	S148 Q149	P146-S148 PolarHBondContact O-N 3.3Å; P146-Q149 HydrophobicContact CG-CB 4.43Å; P146-Q149 HydrophobicContact CG-CG 4.24Å; P146-Q149 PolarHBondContact O-N 3.23Å
147	V	51.1	Low	53.9	Low	111 Å²	111	118.2 Å²	118.2	67%	0.673	62%	0.62	S	S	*	*	H	α-helix	trans	-44.1	-26.9	171.3	177	0	0	0	0	111.6	Q145 M151	Q145-V147 PolarHBondContact O-N 3.13Å; Q145-V147 VanDerWaalsContact O-N 3.08Å; V147-M151 WeakPolarHBondContact O-CB 3.48Å; V147-M151 PolarHBondContact O-N 3.04Å
148	S	65.4	Low	56.3	Low	52 Å²	52	114.7 Å²	114.7	36%	0.364	60%	0.596	S	S	.	*	H	α-helix	trans	-58.3	-42.9	172.1	-179.4	0	0	0	0	114.9	P146 S152	P146-S148 PolarHBondContact O-N 3.3Å; S148-S152 WeakPolarHBondContact O-CB 3.4Å; S148-S152 PolarHBondContact O-N 3.4Å; S148-S152 PolarHBondContact O-OG 2.86Å
149	Q	70	Confident	58.8	Low	137 Å²	137	114.2 Å²	114.2	64%	0.64	59%	0.592	S	S	*	*	H	α-helix	trans	-70.9	-43	-179.7	-86.6	-179.2	-18.9	0	0	111.1	P146 S152 R153	P146-Q149 HydrophobicContact CG-CB 4.43Å; P146-Q149 HydrophobicContact CG-CG 4.24Å; P146-Q149 PolarHBondContact O-N 3.23Å; Q149-S152 PolarHBondContact O-N 3.14Å; Q149-R153 WeakPolarHBondContact O-CB 3.39Å; Q149-R153 PolarHBondContact O-N 2.89Å
150	E	71.8	Confident	61.5	Low	94 Å²	94	108.4 Å²	108.4	44%	0.439	57%	0.571	S	S	.	*	H	α-helix	trans	-65.9	-42.1	177.2	-169.8	60.5	-163.2	0	0	111.2	S152 R153 I154	E150-S152 PolarHBondContact O-N 3.24Å; E150-R153 WeakPolarHBondContact O-CB 3.45Å; E150-R153 PolarHBondContact O-N 3.06Å; E150-I154 HydrophobicContact CG-CD1 3.94Å; E150-I154 HydrophobicContact CG-CG1 4.47Å; E150-I154 WeakPolarHBondContact O-CB 3.43Å; E150-I154 VanDerWaalsContact O-CG1 3.28Å; E150-I154 WeakPolarHBondContact O-CG1 3.14Å; E150-I154 PolarHBondContact O-N 3.13Å
151	M	72.4	Confident	64.3	Low	64 Å²	64	103.7 Å²	103.7	32%	0.315	55%	0.554	S	S	.	*	H	α-helix	trans	-62.9	-43.4	174.8	-173.7	68.7	78.3	0	0	111.9	V147 R153 I154 M155 Y373	V147-M151 WeakPolarHBondContact O-CB 3.48Å; V147-M151 PolarHBondContact O-N 3.04Å; M151-R153 VanDerWaalsContact C-N 3.29Å; M151-R153 PolarHBondContact O-N 3.35Å; M151-I154 PolarHBondContact O-N 2.82Å; M151-M155 HydrophobicContact CG-CE 3.72Å; M151-M155 HydrophobicContact CG-CG 4.43Å; M151-M155 HydrophobicContact CG-SD 4.22Å; M151-M155 WeakPolarHBondContact O-CB 3.35Å; M151-M155 VanDerWaalsContact O-CG 3.23Å; M151-M155 WeakPolarHBondContact O-CG 3.12Å; M151-M155 PolarHBondContact O-N 2.86Å; M151-M155 HydrophobicContact SD-CE 4Å; M151-Y373 HydrophobicContact CG-CE2 4.41Å
152	S	73.6	Confident	66.6	Low	67 Å²	67	106.3 Å²	106.3	47%	0.469	55%	0.546	S	S	.	.	H	α-helix	trans	-62.6	-37.8	175.3	-67.2	0	0	0	0	112.1	S148 Q149 E150 A156	S148-S152 WeakPolarHBondContact O-CB 3.4Å; S148-S152 PolarHBondContact O-N 3.4Å; S148-S152 PolarHBondContact O-OG 2.86Å; Q149-S152 PolarHBondContact O-N 3.14Å; E150-S152 PolarHBondContact O-N 3.24Å; S152-A156 WeakPolarHBondContact O-CB 3.36Å; S152-A156 PolarHBondContact O-N 3.11Å
153	R	83.1	Confident	68.5	Low	136 Å²	136	104 Å²	104	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-65	-50.1	174.5	179.3	-174.8	155.9	179.5	-7.3	111.4	Q149 E150 M151 M155 A156 E157	Q149-R153 WeakPolarHBondContact O-CB 3.39Å; Q149-R153 PolarHBondContact O-N 2.89Å; E150-R153 WeakPolarHBondContact O-CB 3.45Å; E150-R153 PolarHBondContact O-N 3.06Å; M151-R153 VanDerWaalsContact C-N 3.29Å; M151-R153 PolarHBondContact O-N 3.35Å; R153-M155 VanDerWaalsContact C-N 3.29Å; R153-M155 PolarHBondContact O-N 3.15Å; R153-A156 WeakPolarHBondContact O-CB 3.25Å; R153-A156 PolarHBondContact O-N 2.95Å; R153-A156 VanDerWaalsContact O-N 3.15Å; R153-E157 WeakPolarHBondContact O-CB 3.43Å; R153-E157 PolarHBondContact O-N 3.29Å
154	I	79.8	Confident	70.8	Confident	67 Å²	67	99.4 Å²	99.4	34%	0.344	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-38.4	177.4	-69.3	169.7	0	0	0	111	E150 M151 E157 N158	E150-I154 HydrophobicContact CG-CD1 3.94Å; E150-I154 HydrophobicContact CG-CG1 4.47Å; E150-I154 WeakPolarHBondContact O-CB 3.43Å; E150-I154 VanDerWaalsContact O-CG1 3.28Å; E150-I154 WeakPolarHBondContact O-CG1 3.14Å; E150-I154 PolarHBondContact O-N 3.13Å; M151-I154 PolarHBondContact O-N 2.82Å; I154-E157 PolarHBondContact O-N 3.14Å; I154-N158 WeakPolarHBondContact CG2-ND2 3.28Å; I154-N158 VanDerWaalsContact O-CB 3.31Å; I154-N158 WeakPolarHBondContact O-CB 3.31Å; I154-N158 PolarHBondContact O-N 3.37Å; I154-N158 PolarHBondContact O-ND2 2.71Å
155	M	77.4	Confident	72.9	Confident	96 Å²	96	96.3 Å²	96.3	47%	0.473	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-41.3	175.2	-76.1	179.1	176.8	0	0	112	M151 R153 K159	M151-M155 HydrophobicContact CG-CE 3.72Å; M151-M155 HydrophobicContact CG-CG 4.43Å; M151-M155 HydrophobicContact CG-SD 4.22Å; M151-M155 WeakPolarHBondContact O-CB 3.35Å; M151-M155 VanDerWaalsContact O-CG 3.23Å; M151-M155 WeakPolarHBondContact O-CG 3.12Å; M151-M155 PolarHBondContact O-N 2.86Å; M151-M155 HydrophobicContact SD-CE 4Å; R153-M155 VanDerWaalsContact C-N 3.29Å; R153-M155 PolarHBondContact O-N 3.15Å; M155-K159 WeakPolarHBondContact O-CB 3.14Å; M155-K159 PolarHBondContact O-N 3.19Å
156	A	77.6	Confident	74.4	Confident	60 Å²	60	92.4 Å²	92.4	50%	0.496	48%	0.478	S	S	.	.	H	α-helix	trans	-65	-41.5	175.2	0	0	0	0	0	111.5	S152 R153 K159 S160	S152-A156 WeakPolarHBondContact O-CB 3.36Å; S152-A156 PolarHBondContact O-N 3.11Å; R153-A156 WeakPolarHBondContact O-CB 3.25Å; R153-A156 PolarHBondContact O-N 2.95Å; R153-A156 VanDerWaalsContact O-N 3.15Å; A156-K159 PolarHBondContact O-N 2.81Å; A156-S160 PolarHBondContact O-N 3.42Å
157	E	84.7	Confident	75.7	Confident	98 Å²	98	92.4 Å²	92.4	46%	0.458	48%	0.475	S	S	.	.	H	α-helix	trans	-64.9	-46.7	175.9	-171.6	172.7	-179.8	0	0	111.5	R153 I154 K159 S160 L161	R153-E157 WeakPolarHBondContact O-CB 3.43Å; R153-E157 PolarHBondContact O-N 3.29Å; I154-E157 PolarHBondContact O-N 3.14Å; E157-K159 VanDerWaalsContact C-N 3.29Å; E157-K159 PolarHBondContact O-N 3.15Å; E157-S160 CarbonylContact O-C 3.59Å; E157-S160 WeakPolarHBondContact O-CB 3.31Å; E157-S160 PolarHBondContact O-N 3.47Å; E157-S160 VanDerWaalsContact O-N 3.11Å; E157-L161 HydrophobicContact CG-CD1 4.2Å; E157-L161 WeakPolarHBondContact O-CB 3.3Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 3.09Å
158	N	79.5	Confident	76.9	Confident	74 Å²	74	90.1 Å²	90.1	40%	0.396	46%	0.463	S	S	.	.	H	α-helix	trans	-60	-38.8	173.9	-90.1	-83.4	0	0	0	112.4	I154 R162	I154-N158 WeakPolarHBondContact CG2-ND2 3.28Å; I154-N158 VanDerWaalsContact O-CB 3.31Å; I154-N158 WeakPolarHBondContact O-CB 3.31Å; I154-N158 PolarHBondContact O-N 3.37Å; I154-N158 PolarHBondContact O-ND2 2.71Å; N158-R162 WeakPolarHBondContact O-CB 3.49Å; N158-R162 WeakPolarHBondContact O-CG 3.31Å; N158-R162 PolarHBondContact O-N 3.48Å
159	K	77.3	Confident	77.1	Confident	153 Å²	153	93.8 Å²	93.8	67%	0.665	47%	0.472	S	S	*	.	H	α-helix	trans	-65.5	-42.2	174.9	-174.6	-179.1	177.8	-175.1	0	111.1	M155 A156 E157 T163	M155-K159 WeakPolarHBondContact O-CB 3.14Å; M155-K159 PolarHBondContact O-N 3.19Å; A156-K159 PolarHBondContact O-N 2.81Å; E157-K159 VanDerWaalsContact C-N 3.29Å; E157-K159 PolarHBondContact O-N 3.15Å; K159-T163 PolarHBondContact O-N 2.62Å; K159-T163 PolarHBondContact O-OG1 3.41Å
160	S	85.8	Confident	76.9	Confident	59 Å²	59	95 Å²	95	41%	0.413	47%	0.471	S	S	.	.	H	α-helix	trans	-61.2	-51.5	174.9	-166.4	0	0	0	0	111.3	A156 E157 R162 T163 Q164	A156-S160 PolarHBondContact O-N 3.42Å; E157-S160 CarbonylContact O-C 3.59Å; E157-S160 WeakPolarHBondContact O-CB 3.31Å; E157-S160 PolarHBondContact O-N 3.47Å; E157-S160 VanDerWaalsContact O-N 3.11Å; S160-R162 VanDerWaalsContact C-N 3.33Å; S160-R162 PolarHBondContact O-N 3.15Å; S160-T163 CarbonylContact O-C 3.57Å; S160-T163 WeakPolarHBondContact O-CA 3.43Å; S160-T163 WeakPolarHBondContact O-CB 3.37Å; S160-T163 PolarHBondContact O-N 3.03Å; S160-Q164 WeakPolarHBondContact O-CG 3.23Å; S160-Q164 PolarHBondContact O-N 3.02Å
161	L	85.2	Confident	76.8	Confident	89 Å²	89	93.9 Å²	93.9	47%	0.466	47%	0.468	S	S	.	.	H	α-helix	trans	-57.7	-42.6	177.7	-73.9	169	0	0	0	112.1	E157 T163 Q164 L165	E157-L161 HydrophobicContact CG-CD1 4.2Å; E157-L161 WeakPolarHBondContact O-CB 3.3Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 3.09Å; L161-T163 VanDerWaalsContact C-N 3.31Å; L161-T163 PolarHBondContact O-N 3.29Å; L161-Q164 PolarHBondContact O-N 3.2Å; L161-L165 VanDerWaalsContact O-CB 3.3Å; L161-L165 WeakPolarHBondContact O-CB 3.36Å; L161-L165 PolarHBondContact O-N 2.85Å
162	R	72.9	Confident	76.9	Confident	170 Å²	170	96 Å²	96	64%	0.642	48%	0.48	S	S	*	.	H	α-helix	trans	-62.8	-38.6	174.7	-74.3	169.9	-175.8	-87.7	-3.4	112.3	N158 S160 N166	N158-R162 WeakPolarHBondContact O-CB 3.49Å; N158-R162 WeakPolarHBondContact O-CG 3.31Å; N158-R162 PolarHBondContact O-N 3.48Å; S160-R162 VanDerWaalsContact C-N 3.33Å; S160-R162 PolarHBondContact O-N 3.15Å; R162-N166 WeakPolarHBondContact O-CB 3.3Å; R162-N166 VanDerWaalsContact O-CG 3.3Å; R162-N166 PolarHBondContact O-N 3.31Å
163	T	75.5	Confident	76.5	Confident	71 Å²	71	94.4 Å²	94.4	44%	0.436	47%	0.469	S	S	.	.	H	α-helix	trans	-68.8	-42.8	177.1	-51.8	0	0	0	0	110.9	K159 S160 L161 N166 N167	K159-T163 PolarHBondContact O-N 2.62Å; K159-T163 PolarHBondContact O-OG1 3.41Å; S160-T163 CarbonylContact O-C 3.57Å; S160-T163 WeakPolarHBondContact O-CA 3.43Å; S160-T163 WeakPolarHBondContact O-CB 3.37Å; S160-T163 PolarHBondContact O-N 3.03Å; L161-T163 VanDerWaalsContact C-N 3.31Å; L161-T163 PolarHBondContact O-N 3.29Å; T163-N166 PolarHBondContact O-N 3.15Å; T163-N167 WeakPolarHBondContact O-CB 3.24Å; T163-N167 VanDerWaalsContact O-CG 3.29Å; T163-N167 PolarHBondContact O-N 2.91Å
164	Q	80.8	Confident	75.7	Confident	76 Å²	76	91.1 Å²	91.1	36%	0.355	46%	0.464	S	S	.	.	H	α-helix	trans	-62.5	-43.4	173.9	-71.5	176.7	-11.7	0	0	111.6	S160 L161 N166 N167 C168	S160-Q164 WeakPolarHBondContact O-CG 3.23Å; S160-Q164 PolarHBondContact O-N 3.02Å; L161-Q164 PolarHBondContact O-N 3.2Å; Q164-N166 PolarHBondContact O-N 2.92Å; Q164-N167 PolarHBondContact O-N 3.04Å; Q164-C168 VanDerWaalsContact O-CB 3.24Å; Q164-C168 WeakPolarHBondContact O-CB 3.39Å; Q164-C168 PolarHBondContact O-N 2.96Å
165	L	80.7	Confident	74.6	Confident	98 Å²	98	93.2 Å²	93.2	51%	0.513	47%	0.473	S	S	.	.	H	α-helix	trans	-60.2	-45.5	176.4	-165.9	93.3	0	0	0	111	L161 C168 K169	L161-L165 VanDerWaalsContact O-CB 3.3Å; L161-L165 WeakPolarHBondContact O-CB 3.36Å; L161-L165 PolarHBondContact O-N 2.85Å; L165-C168 PolarHBondContact O-N 3.11Å; L165-K169 WeakPolarHBondContact O-CB 3.38Å; L165-K169 VanDerWaalsContact O-CG 3.31Å; L165-K169 WeakPolarHBondContact O-CG 3.39Å; L165-K169 PolarHBondContact O-N 2.89Å
166	N	71.9	Confident	74.1	Confident	99 Å²	99	91.9 Å²	91.9	53%	0.529	47%	0.474	S	S	.	.	H	α-helix	trans	-64.8	-41.1	177.2	-74.3	-7.9	0	0	0	112	R162 T163 Q164 R170	R162-N166 WeakPolarHBondContact O-CB 3.3Å; R162-N166 VanDerWaalsContact O-CG 3.3Å; R162-N166 PolarHBondContact O-N 3.31Å; T163-N166 PolarHBondContact O-N 3.15Å; Q164-N166 PolarHBondContact O-N 2.92Å; N166-R170 WeakPolarHBondContact O-CB 3.45Å; N166-R170 PolarHBondContact O-N 3.37Å
167	N	74	Confident	72.9	Confident	69 Å²	69	92 Å²	92	37%	0.369	48%	0.475	S	S	.	.	H	α-helix	trans	-64.9	-41.2	175	-74.1	-16.6	0	0	0	111.8	T163 Q164 R170 L171	T163-N167 WeakPolarHBondContact O-CB 3.24Å; T163-N167 VanDerWaalsContact O-CG 3.29Å; T163-N167 PolarHBondContact O-N 2.91Å; Q164-N167 PolarHBondContact O-N 3.04Å; N167-R170 PolarHBondContact O-N 3.36Å; N167-L171 WeakPolarHBondContact O-CB 3.46Å; N167-L171 PolarHBondContact O-N 2.82Å
168	C	74.7	Confident	71.2	Confident	63 Å²	63	91.6 Å²	91.6	43%	0.426	47%	0.473	S	S	.	.	H	α-helix	trans	-66.3	-44.8	178.3	-162	0	0	0	0	111.1	Q164 L165 R170 L171 L172	Q164-C168 VanDerWaalsContact O-CB 3.24Å; Q164-C168 WeakPolarHBondContact O-CB 3.39Å; Q164-C168 PolarHBondContact O-N 2.96Å; L165-C168 PolarHBondContact O-N 3.11Å; C168-R170 VanDerWaalsContact C-N 3.32Å; C168-R170 PolarHBondContact O-N 3.42Å; C168-L171 PolarHBondContact O-N 3.44Å; C168-L171 VanDerWaalsContact O-N 3.11Å; C168-L172 WeakPolarHBondContact O-CB 3.32Å; C168-L172 WeakPolarHBondContact O-CG 3.27Å; C168-L172 PolarHBondContact O-N 2.77Å
169	K	70	Confident	69.6	Low	130 Å²	130	92.1 Å²	92.1	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-55.8	-45.4	172.2	-76.6	179.8	176.4	-171	0	111.8	L165 L171 L172 S173	L165-K169 WeakPolarHBondContact O-CB 3.38Å; L165-K169 VanDerWaalsContact O-CG 3.31Å; L165-K169 WeakPolarHBondContact O-CG 3.39Å; L165-K169 PolarHBondContact O-N 2.89Å; K169-L171 VanDerWaalsContact C-N 3.34Å; K169-L171 PolarHBondContact O-N 2.91Å; K169-L172 PolarHBondContact O-N 2.78Å; K169-S173 PolarHBondContact O-N 2.84Å; K169-S173 PolarHBondContact O-OG 3.39Å
170	R	65.7	Low	68.1	Low	161 Å²	161	88.9 Å²	88.9	61%	0.608	48%	0.475	S	S	*	.	H	α-helix	trans	-65.2	-36.3	176.5	-170	-178.7	69.1	-168.6	-0.2	112.6	N166 N167 C168 S173 T174	N166-R170 WeakPolarHBondContact O-CB 3.45Å; N166-R170 PolarHBondContact O-N 3.37Å; N167-R170 PolarHBondContact O-N 3.36Å; C168-R170 VanDerWaalsContact C-N 3.32Å; C168-R170 PolarHBondContact O-N 3.42Å; R170-S173 WeakPolarHBondContact CA-OG 3.42Å; R170-S173 PolarHBondContact O-OG 3.32Å; R170-T174 WeakPolarHBondContact O-CB 3.35Å; R170-T174 PolarHBondContact O-N 2.78Å; R170-T174 VanDerWaalsContact O-N 3.13Å; R170-T174 PolarHBondContact O-OG1 3.08Å
171	L	71.1	Confident	65.9	Low	71 Å²	71	95.9 Å²	95.9	37%	0.372	49%	0.493	S	S	.	.	H	α-helix	trans	-70.9	-44.2	177.4	-141.9	105.4	0	0	0	110.8	N167 C168 K169 T174 M175	N167-L171 WeakPolarHBondContact O-CB 3.46Å; N167-L171 PolarHBondContact O-N 2.82Å; C168-L171 PolarHBondContact O-N 3.44Å; C168-L171 VanDerWaalsContact O-N 3.11Å; K169-L171 VanDerWaalsContact C-N 3.34Å; K169-L171 PolarHBondContact O-N 2.91Å; L171-T174 CarbonylContact O-C 3.49Å; L171-T174 WeakPolarHBondContact O-CB 3.38Å; L171-T174 PolarHBondContact O-N 3.42Å; L171-T174 VanDerWaalsContact O-N 3.14Å; L171-M175 HydrophobicContact CD2-SD 4.02Å; L171-M175 WeakPolarHBondContact O-CB 3.37Å; L171-M175 WeakPolarHBondContact O-CG 3.45Å; L171-M175 PolarHBondContact O-N 3.48Å
172	L	72.5	Confident	63.5	Low	108 Å²	108	101.8 Å²	101.8	57%	0.565	51%	0.509	S	S	*	.	H	α-helix	trans	-60	-44.5	176.1	-77.5	166	0	0	0	111.5	C168 K169 T174 M175 S176	C168-L172 WeakPolarHBondContact O-CB 3.32Å; C168-L172 WeakPolarHBondContact O-CG 3.27Å; C168-L172 PolarHBondContact O-N 2.77Å; K169-L172 PolarHBondContact O-N 2.78Å; L172-T174 VanDerWaalsContact C-N 3.3Å; L172-T174 PolarHBondContact O-N 2.65Å; L172-M175 PolarHBondContact O-N 2.86Å; L172-S176 PolarHBondContact O-N 3.39Å; L172-S176 PolarHBondContact O-OG 3.29Å
173	S	66.1	Low	61.5	Low	35 Å²	35	102.5 Å²	102.5	25%	0.245	52%	0.516	C	S	.	.	H	α-helix	trans	-64.4	-34.6	174.6	63.8	0	0	0	0	112.7	K169 R170 S176 A177 S201	K169-S173 PolarHBondContact O-N 2.84Å; K169-S173 PolarHBondContact O-OG 3.39Å; R170-S173 WeakPolarHBondContact CA-OG 3.42Å; R170-S173 PolarHBondContact O-OG 3.32Å; S173-S176 WeakPolarHBondContact CA-OG 3.47Å; S173-S176 PolarHBondContact O-OG 3.11Å; S173-A177 WeakPolarHBondContact O-CB 3.45Å; S173-A177 PolarHBondContact O-N 2.97Å; S173-S201 WeakPolarHBondContact CB-OG 3.45Å
174	T	66.5	Low	59.4	Low	67 Å²	67	104 Å²	104	41%	0.411	53%	0.53	S	S	.	.	H	α-helix	trans	-71	-37.7	174.4	-53.5	0	0	0	0	111.6	R170 L171 L172 Q178	R170-T174 WeakPolarHBondContact O-CB 3.35Å; R170-T174 PolarHBondContact O-N 2.78Å; R170-T174 VanDerWaalsContact O-N 3.13Å; R170-T174 PolarHBondContact O-OG1 3.08Å; L171-T174 CarbonylContact O-C 3.49Å; L171-T174 WeakPolarHBondContact O-CB 3.38Å; L171-T174 PolarHBondContact O-N 3.42Å; L171-T174 VanDerWaalsContact O-N 3.14Å; L172-T174 VanDerWaalsContact C-N 3.3Å; L172-T174 PolarHBondContact O-N 2.65Å; T174-Q178 WeakPolarHBondContact O-CB 3.48Å; T174-Q178 VanDerWaalsContact O-CG 3.31Å; T174-Q178 WeakPolarHBondContact O-CG 3.16Å; T174-Q178 PolarHBondContact O-N 2.81Å
175	M	57.3	Low	57.5	Low	110 Å²	110	107.1 Å²	107.1	54%	0.542	56%	0.557	S	S	.	*	H	α-helix	trans	-74.1	-37.2	179.4	-75	-174.4	71.6	0	0	112.5	L171 L172 A177 Q178 S179	L171-M175 HydrophobicContact CD2-SD 4.02Å; L171-M175 WeakPolarHBondContact O-CB 3.37Å; L171-M175 WeakPolarHBondContact O-CG 3.45Å; L171-M175 PolarHBondContact O-N 3.48Å; L172-M175 PolarHBondContact O-N 2.86Å; M175-A177 VanDerWaalsContact C-N 3.35Å; M175-Q178 PolarHBondContact O-N 3.42Å; M175-S179 VanDerWaalsContact O-CB 3.31Å; M175-S179 WeakPolarHBondContact O-CB 3.45Å; M175-S179 PolarHBondContact O-N 2.79Å
176	S	65.4	Low	55.1	Low	68 Å²	68	107.5 Å²	107.5	48%	0.476	57%	0.566	S	S	.	*	H	α-helix	trans	-61.5	-46.2	172	61	0	0	0	0	110.1	L172 S173 Q178 S179 V180	L172-S176 PolarHBondContact O-N 3.39Å; L172-S176 PolarHBondContact O-OG 3.29Å; S173-S176 WeakPolarHBondContact CA-OG 3.47Å; S173-S176 PolarHBondContact O-OG 3.11Å; S176-Q178 VanDerWaalsContact C-N 3.29Å; S176-Q178 PolarHBondContact O-N 3.46Å; S176-S179 PolarHBondContact O-N 2.85Å; S176-V180 PolarHBondContact O-N 3.41Å
177	A	53.4	Low	53.2	Low	64 Å²	64	109.7 Å²	109.7	53%	0.529	58%	0.578	S	S	.	*	H	α-helix	trans	-62	-30.7	174.6	0	0	0	0	0	113.8	S173 M175	S173-A177 WeakPolarHBondContact O-CB 3.45Å; S173-A177 PolarHBondContact O-N 2.97Å; M175-A177 VanDerWaalsContact C-N 3.35Å
178	Q	48.7	Very low	51	Low	89 Å²	89	116.4 Å²	116.4	42%	0.416	61%	0.607	S	S	.	*	H	α-helix	trans	-87.7	-28.9	178	-75.2	-178.5	11.7	0	0	114.3	T174 M175 S176 V180 R181	T174-Q178 WeakPolarHBondContact O-CB 3.48Å; T174-Q178 VanDerWaalsContact O-CG 3.31Å; T174-Q178 WeakPolarHBondContact O-CG 3.16Å; T174-Q178 PolarHBondContact O-N 2.81Å; M175-Q178 PolarHBondContact O-N 3.42Å; S176-Q178 VanDerWaalsContact C-N 3.29Å; S176-Q178 PolarHBondContact O-N 3.46Å; Q178-V180 PolarHBondContact O-N 2.8Å; Q178-R181 WeakPolarHBondContact O-CB 3.33Å; Q178-R181 PolarHBondContact O-N 2.89Å
179	S	45.9	Very low	49	Very low	85 Å²	85	117.8 Å²	117.8	59%	0.594	62%	0.618	S	S	*	*	H	α-helix	trans	-63.7	-32.4	177.2	-166.4	0	0	0	0	111	M175 S176 R181 R182	M175-S179 VanDerWaalsContact O-CB 3.31Å; M175-S179 WeakPolarHBondContact O-CB 3.45Å; M175-S179 PolarHBondContact O-N 2.79Å; S176-S179 PolarHBondContact O-N 2.85Å; S179-R181 VanDerWaalsContact C-N 3.29Å; S179-R181 PolarHBondContact O-N 2.99Å; S179-R182 PolarHBondContact O-N 3.01Å
180	V	46.2	Very low	47.2	Very low	84 Å²	84	115.1 Å²	115.1	51%	0.509	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-65.6	-30.8	172.2	-175.3	0	0	0	0	112.1	S176 Q178 R182 D193	S176-V180 PolarHBondContact O-N 3.41Å; Q178-V180 PolarHBondContact O-N 2.8Å; V180-R182 VanDerWaalsContact C-N 3.3Å; V180-R182 PolarHBondContact O-N 3.44Å; V180-D193 VanDerWaalsContact CG1-OD2 3.29Å; V180-D193 WeakPolarHBondContact CG1-OD2 3.3Å
181	R	39.4	Very low	45.4	Very low	207 Å²	207	114.3 Å²	114.3	78%	0.781	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-71.2	-17.1	176.6	-75.5	-176.4	168.9	-177.1	-1.4	114.9	Q178 S179	Q178-R181 WeakPolarHBondContact O-CB 3.33Å; Q178-R181 PolarHBondContact O-N 2.89Å; S179-R181 VanDerWaalsContact C-N 3.29Å; S179-R181 PolarHBondContact O-N 2.99Å
182	R	35.2	Very low	43.8	Very low	213 Å²	213	118.8 Å²	118.8	80%	0.804	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-100	2.5	-176.5	-85.1	-171.7	172.3	179.4	0.7	114.8	S179 V180 S184	S179-R182 PolarHBondContact O-N 3.01Å; V180-R182 VanDerWaalsContact C-N 3.3Å; V180-R182 PolarHBondContact O-N 3.44Å; R182-S184 PolarHBondContact O-N 2.85Å
183	K	31.5	Very low	42	Very low	184 Å²	184	119.5 Å²	119.5	80%	0.8	64%	0.641	S	S	*	*	S	Bend	trans	-72.9	126.5	164.7	-76.1	-175.8	179.9	173.7	0	109.7
184	S	30.1	Very low	40.6	Very low	104 Å²	104	123.7 Å²	123.7	73%	0.727	66%	0.66	S	S	*	*			trans	-48.3	153.7	-169.4	-42.5	0	0	0	0	115.4	R182 C186	R182-S184 PolarHBondContact O-N 2.85Å; S184-C186 VanDerWaalsContact C-N 3.32Å; S184-C186 PolarHBondContact O-N 2.98Å
185	P	41.1	Very low	39.3	Very low	141 Å²	141	125.9 Å²	125.9	92%	0.916	67%	0.669	S	S	*	*	S	Bend	trans	-79.3	79	-177.7	33.2	-33.1	0	0	0	110.8
186	C	30.1	Very low	38.6	Very low	105 Å²	105	125.1 Å²	125.1	71%	0.709	67%	0.665	S	S	*	*			trans	-154.8	70.3	163.2	-170.3	0	0	0	0	108.9	S184	S184-C186 VanDerWaalsContact C-N 3.32Å; S184-C186 PolarHBondContact O-N 2.98Å
187	D	31.4	Very low	37.9	Very low	146 Å²	146	126.8 Å²	126.8	78%	0.781	67%	0.665	S	S	*	*			trans	-167.9	117.5	141.3	-92.7	-28.3	0	0	0	109.1	S189	D187-S189 PolarHBondContact O-N 3.31Å
188	Q	29.3	Very low	37.7	Very low	210 Å²	210	129.5 Å²	129.5	98%	0.981	68%	0.678	S	S	*	*			trans	-78.7	77.4	169.8	-71.3	-178.2	-5.9	0	0	108.3
189	S	32.3	Very low	38.2	Very low	92 Å²	92	128.4 Å²	128.4	64%	0.643	68%	0.675	S	S	*	*			trans	-130.6	102.6	163.5	58.3	0	0	0	0	109.3	D187	D187-S189 PolarHBondContact O-N 3.31Å
190	S	31.1	Very low	39.4	Very low	74 Å²	74	125.5 Å²	125.5	52%	0.517	65%	0.653	S	S	.	*			trans	28.1	108.6	155.6	47.8	0	0	0	0	118.6	Y192	S190-Y192 VanDerWaalsContact C-N 3.3Å; S190-Y192 WeakPolarHBondContact O-CD2 3.2Å; S190-Y192 PolarHBondContact O-N 2.7Å; S190-Y192 WeakPolarHBondContact OG-CD2 3.43Å; S190-Y192 WeakPolarHBondContact OG-CE2 3.32Å
191	N	28.1	Very low	40.7	Very low	143 Å²	143	123 Å²	123	77%	0.765	64%	0.638	S	S	*	*			trans	-27.2	57.2	156.7	-133.3	24.5	0	0	0	118.7
192	Y	37.3	Very low	42.4	Very low	165 Å²	165	117.4 Å²	117.4	65%	0.647	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-82.1	-10.1	-177.5	-77.2	-68	0	0	0	116.4	S190	S190-Y192 VanDerWaalsContact C-N 3.3Å; S190-Y192 WeakPolarHBondContact O-CD2 3.2Å; S190-Y192 PolarHBondContact O-N 2.7Å; S190-Y192 WeakPolarHBondContact OG-CD2 3.43Å; S190-Y192 WeakPolarHBondContact OG-CE2 3.32Å
193	D	36.2	Very low	44.4	Very low	124 Å²	124	108.6 Å²	108.6	66%	0.663	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-95.8	14.3	-172.8	-75	-36	0	0	0	116.1	V180	V180-D193 VanDerWaalsContact CG1-OD2 3.29Å; V180-D193 WeakPolarHBondContact CG1-OD2 3.3Å
194	L	36.1	Very low	46.7	Very low	123 Å²	123	101.1 Å²	101.1	64%	0.644	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-88.5	-8	177	-77.1	171	0	0	0	114.4
195	D	39	Very low	49	Very low	112 Å²	112	98.4 Å²	98.4	60%	0.599	55%	0.554	S	S	*	*			trans	-100.6	-4.5	-168	-67.7	-16.1	0	0	0	114.6	E197	D195-E197 PolarHBondContact O-N 3.49Å
196	M	42.8	Very low	50.7	Low	94 Å²	94	94.1 Å²	94.1	46%	0.463	53%	0.527	S	S	.	.			trans	-78.6	106.3	178.7	-161	-175.6	-165.5	0	0	110.3	D200 S201 F204	M196-D200 HydrophobicContact CE-CB 4.42Å; M196-D200 HydrophobicContact CG-CB 4.29Å; M196-S201 VanDerWaalsContact CE-CA 3.44Å; M196-F204 HydrophobicContact CE-CB 4.47Å; M196-F204 HydrophobicContact CE-CD2 3.67Å; M196-F204 HydrophobicContact CE-CE2 4.48Å
197	E	50.7	Low	53.1	Low	103 Å²	103	90.8 Å²	90.8	48%	0.481	50%	0.5	S	S	.	.			trans	-60.3	141.2	173	-72.6	-149.9	164	0	0	110.4	D195 N199 D200 N527	D195-E197 PolarHBondContact O-N 3.49Å; E197-N199 PolarHBondContact O-N 2.73Å; E197-D200 PolarHBondContact O-N 3.46Å; E197-N527 PolarHBondContact OE2-ND2 3.02Å
198	P	49.6	Very low	55	Low	122 Å²	122	84.3 Å²	84.3	79%	0.792	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-27.7	-176.3	-26.5	32.6	0	0	0	114.9
199	N	58.3	Low	57.3	Low	66 Å²	66	78.7 Å²	78.7	35%	0.353	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-24.8	178.1	-104.1	13.3	0	0	0	114.1	E197 S201 S202 T525 D526	E197-N199 PolarHBondContact O-N 2.73Å; N199-S201 VanDerWaalsContact C-N 3.31Å; N199-S201 PolarHBondContact O-N 3.02Å; N199-S202 PolarHBondContact O-N 3.46Å; N199-T525 PolarHBondContact ND2-O 2.9Å; N199-D526 WeakPolarHBondContact ND2-CA 3.42Å; N199-D526 PolarHBondContact ND2-OD1 3.31Å
200	D	72.8	Confident	59.5	Low	24 Å²	24	81.6 Å²	81.6	13%	0.128	44%	0.443	C	S	.	.	H	α-helix	trans	-73.8	-24.4	-177.9	-93.4	9.3	0	0	0	112.4	M196 E197 S202 Y203 F204 Q297 R528	M196-D200 HydrophobicContact CE-CB 4.42Å; M196-D200 HydrophobicContact CG-CB 4.29Å; E197-D200 PolarHBondContact O-N 3.46Å; D200-S202 VanDerWaalsContact C-N 3.28Å; D200-S202 PolarHBondContact O-N 3.36Å; D200-Y203 WeakPolarHBondContact O-CB 3.13Å; D200-Y203 PolarHBondContact O-N 3.49Å; D200-Y203 VanDerWaalsContact O-N 3.14Å; D200-F204 HydrophobicContact CB-CD2 4.1Å; D200-F204 HydrophobicContact CB-CE2 3.86Å; D200-F204 WeakPolarHBondContact O-CD2 3.3Å; D200-F204 PolarHBondContact O-N 3.35Å; D200-Q297 PolarHBondContact OD2-NE2 3.29Å; D200-R528 IonicContact OD1-CZ 2.93Å; D200-R528 IonicContact OD1-NE 3.23Å; D200-R528 PolarHBondContact OD1-NE 3.41Å; D200-R528 IonicContact OD1-NH2 3.39Å; D200-R528 PolarHBondContact OD1-NH2 2.94Å; D200-R528 VanDerWaalsContact OD1-NH2 3.07Å; D200-R528 IonicContact OD2-NH2 3.59Å; D200-R528 PolarHBondContact OD2-NH2 2.74Å
201	S	73.2	Confident	61.4	Low	30 Å²	30	84.3 Å²	84.3	21%	0.21	45%	0.448	C	S	.	.	H	α-helix	trans	-62.9	-35.7	177.1	178.7	0	0	0	0	112.4	S173 M196 N199 G205	S173-S201 WeakPolarHBondContact CB-OG 3.45Å; M196-S201 VanDerWaalsContact CE-CA 3.44Å; N199-S201 VanDerWaalsContact C-N 3.31Å; N199-S201 PolarHBondContact O-N 3.02Å; S201-G205 PolarHBondContact O-N 2.9Å
202	S	74.6	Confident	63.8	Low	90 Å²	90	79.9 Å²	79.9	63%	0.629	42%	0.423	S	S	*	.	H	α-helix	trans	-62.5	-45.6	173.2	178.1	0	0	0	0	111.4	N199 D200 G205 S206	N199-S202 PolarHBondContact O-N 3.46Å; D200-S202 VanDerWaalsContact C-N 3.28Å; D200-S202 PolarHBondContact O-N 3.36Å; S202-G205 PolarHBondContact O-N 2.87Å; S202-S206 PolarHBondContact O-N 3.35Å; S202-S206 PolarHBondContact O-OG 3.44Å
203	Y	77.5	Confident	65.9	Low	28 Å²	28	72.7 Å²	72.7	11%	0.11	40%	0.396	C	S	.	.	H	α-helix	trans	-64.7	-53.4	-177.9	175	-100.3	0	0	0	112.8	D200 G205 S206 Y207 E323 R528	D200-Y203 WeakPolarHBondContact O-CB 3.13Å; D200-Y203 PolarHBondContact O-N 3.49Å; D200-Y203 VanDerWaalsContact O-N 3.14Å; Y203-G205 VanDerWaalsContact C-N 3.27Å; Y203-G205 PolarHBondContact O-N 2.85Å; Y203-S206 PolarHBondContact O-N 2.84Å; Y203-S206 PolarHBondContact O-OG 2.96Å; Y203-Y207 HydrophobicContact CD2-CD2 4.13Å; Y203-Y207 HydrophobicContact CD2-CE2 4.15Å; Y203-Y207 HydrophobicContact CE1-CD2 4.23Å; Y203-Y207 AromaticContact CE2-CD2 3.69Å; Y203-Y207 HydrophobicContact CE2-CD2 3.69Å; Y203-Y207 AromaticContact CE2-CE2 3.38Å; Y203-Y207 HydrophobicContact CE2-CE2 3.38Å; Y203-Y207 AromaticContact CZ-CD2 3.74Å; Y203-Y207 AromaticContact CZ-CE2 3.6Å; Y203-Y207 PolarHBondContact O-N 2.91Å; Y203-E323 HydrophobicContact CE2-CB 3.98Å; Y203-E323 HydrophobicContact CE2-CG 4.03Å; Y203-E323 VanDerWaalsContact CE2-OE2 3.3Å; Y203-E323 WeakPolarHBondContact CE2-OE2 3.45Å; Y203-E323 PolarHBondContact OH-OE2 2.97Å; Y203-R528 VanDerWaalsContact CZ-NH1 3.3Å
204	F	80.2	Confident	68.1	Low	28 Å²	28	68 Å²	68	12%	0.123	38%	0.377	C	S	.	.	H	α-helix	trans	-69.3	-30.4	178.5	-63.5	-63.1	0	0	0	111.6	M196 D200 Y207 G208 A270 Q297	M196-F204 HydrophobicContact CE-CB 4.47Å; M196-F204 HydrophobicContact CE-CD2 3.67Å; M196-F204 HydrophobicContact CE-CE2 4.48Å; D200-F204 HydrophobicContact CB-CD2 4.1Å; D200-F204 HydrophobicContact CB-CE2 3.86Å; D200-F204 WeakPolarHBondContact O-CD2 3.3Å; D200-F204 PolarHBondContact O-N 3.35Å; F204-Y207 PolarHBondContact O-N 3.14Å; F204-G208 PolarHBondContact O-N 2.95Å; F204-A270 HydrophobicContact CD1-CB 3.57Å; F204-A270 HydrophobicContact CE1-CB 3.32Å; F204-A270 HydrophobicContact CE2-CB 4.44Å; F204-A270 HydrophobicContact CG-CB 4.26Å; F204-A270 HydrophobicContact CZ-CB 3.8Å; F204-Q297 HydrophobicContact CE2-CG 4.13Å; F204-Q297 HydrophobicContact CZ-CG 4.08Å
205	G	77.4	Confident	70.5	Confident	47 Å²	47	66.4 Å²	66.4	49%	0.485	37%	0.366	S	S	.	.	H	α-helix	trans	-65.1	-37	172	0	0	0	0	0	113.4	S201 S202 Y203	S201-G205 PolarHBondContact O-N 2.9Å; S202-G205 PolarHBondContact O-N 2.87Å; Y203-G205 VanDerWaalsContact C-N 3.27Å; Y203-G205 PolarHBondContact O-N 2.85Å
206	S	77.3	Confident	72.8	Confident	50 Å²	50	61.9 Å²	61.9	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-69.3	-45.9	172.9	57.2	0	0	0	0	111.2	S202 Y203 G208 H209 I212	S202-S206 PolarHBondContact O-N 3.35Å; S202-S206 PolarHBondContact O-OG 3.44Å; Y203-S206 PolarHBondContact O-N 2.84Å; Y203-S206 PolarHBondContact O-OG 2.96Å; S206-G208 PolarHBondContact O-N 3.23Å; S206-H209 WeakPolarHBondContact O-CB 3.35Å; S206-H209 PolarHBondContact O-N 3.06Å; S206-I212 WeakPolarHBondContact O-CD1 3.47Å
207	Y	79.1	Confident	75	Confident	35 Å²	35	60.5 Å²	60.5	14%	0.137	34%	0.335	C	S	.	.	H	α-helix	trans	-65.2	-23.7	176.8	-91	-91.1	0	0	0	113.2	Y203 F204 H209 I212 H213 M216 I274 E323	Y203-Y207 HydrophobicContact CD2-CD2 4.13Å; Y203-Y207 HydrophobicContact CD2-CE2 4.15Å; Y203-Y207 HydrophobicContact CE1-CD2 4.23Å; Y203-Y207 AromaticContact CE2-CD2 3.69Å; Y203-Y207 HydrophobicContact CE2-CD2 3.69Å; Y203-Y207 AromaticContact CE2-CE2 3.38Å; Y203-Y207 HydrophobicContact CE2-CE2 3.38Å; Y203-Y207 AromaticContact CZ-CD2 3.74Å; Y203-Y207 AromaticContact CZ-CE2 3.6Å; Y203-Y207 PolarHBondContact O-N 2.91Å; F204-Y207 PolarHBondContact O-N 3.14Å; Y207-H209 PolarHBondContact O-N 3.42Å; Y207-I212 HydrophobicContact CE1-CG2 4.36Å; Y207-H213 PolarHBondContact O-CD2 2.83Å; Y207-H213 PolarHBondContact O-NE2 3.28Å; Y207-M216 HydrophobicContact CD1-CE 4.25Å; Y207-M216 HydrophobicContact CE1-CE 3.8Å; Y207-M216 HydrophobicContact CE1-SD 4.01Å; Y207-I274 WeakPolarHBondContact O-CG1 3.27Å; Y207-E323 PolarHBondContact OH-OE1 3.48Å; Y207-E323 PolarHBondContact OH-OE2 3.01Å
208	G	71.7	Confident	76.8	Confident	11 Å²	11	61.6 Å²	61.6	11%	0.113	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.9	170.1	0	0	0	0	0	114	F204 S206	F204-G208 PolarHBondContact O-N 2.95Å; S206-G208 PolarHBondContact O-N 3.23Å
209	H	78.3	Confident	78.9	Confident	91 Å²	91	56.3 Å²	56.3	42%	0.421	31%	0.31	S	S	.	.	S	Bend	trans	-83	123.4	-177.8	-160.2	-86.4	0	0	0	111.9	S206 Y207 E211 I212	S206-H209 WeakPolarHBondContact O-CB 3.35Å; S206-H209 PolarHBondContact O-N 3.06Å; Y207-H209 PolarHBondContact O-N 3.42Å; H209-E211 IonicContact CE1-OE2 3.56Å; H209-E211 WeakPolarHBondContact ND1-CB 3.41Å; H209-E211 PolarHBondContact ND1-N 3.27Å; H209-E211 PolarHBondContact O-N 2.77Å; H209-E211 VanDerWaalsContact O-N 3.08Å; H209-I212 PolarHBondContact O-N 2.88Å
210	F	77.2	Confident	80.6	Confident	153 Å²	153	61.9 Å²	61.9	67%	0.671	33%	0.326	S	S	*	.	H	α-helix	trans	-57.2	-28.9	-174.7	68.9	-89.1	0	0	0	114.4	I212 H213 G214	F210-I212 VanDerWaalsContact C-N 3.29Å; F210-I212 PolarHBondContact O-N 2.81Å; F210-H213 WeakPolarHBondContact O-CB 3.27Å; F210-H213 PolarHBondContact O-N 3.42Å; F210-H213 VanDerWaalsContact O-N 3.13Å; F210-G214 PolarHBondContact O-N 3.27Å
211	E	72.9	Confident	81.7	Confident	132 Å²	132	62.4 Å²	62.4	62%	0.617	33%	0.329	S	S	*	.	H	α-helix	trans	-62	-34.8	-177.9	-168.4	173.2	-171.5	0	0	112.7	H209 H213 G214 E215	H209-E211 IonicContact CE1-OE2 3.56Å; H209-E211 WeakPolarHBondContact ND1-CB 3.41Å; H209-E211 PolarHBondContact ND1-N 3.27Å; H209-E211 PolarHBondContact O-N 2.77Å; H209-E211 VanDerWaalsContact O-N 3.08Å; E211-H213 VanDerWaalsContact C-N 3.34Å; E211-G214 WeakPolarHBondContact O-CA 3.44Å; E211-G214 PolarHBondContact O-N 2.88Å; E211-G214 VanDerWaalsContact O-N 3.15Å; E211-E215 PolarHBondContact O-N 3.5Å
212	I	78	Confident	82.8	Confident	50 Å²	50	61.9 Å²	61.9	26%	0.256	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-42.8	176	-56.1	-167.9	0	0	0	109.8	S206 Y207 H209 F210 G214 E215 M216	S206-I212 WeakPolarHBondContact O-CD1 3.47Å; Y207-I212 HydrophobicContact CE1-CG2 4.36Å; H209-I212 PolarHBondContact O-N 2.88Å; F210-I212 VanDerWaalsContact C-N 3.29Å; F210-I212 PolarHBondContact O-N 2.81Å; I212-G214 VanDerWaalsContact C-N 3.27Å; I212-G214 PolarHBondContact O-N 2.89Å; I212-E215 PolarHBondContact O-N 3.05Å; I212-M216 HydrophobicContact CG2-CE 4.09Å; I212-M216 HydrophobicContact CG2-CG 4.5Å; I212-M216 HydrophobicContact CG2-SD 4.48Å; I212-M216 VanDerWaalsContact O-CB 3.23Å; I212-M216 WeakPolarHBondContact O-CB 3.48Å; I212-M216 VanDerWaalsContact O-CG 3.27Å; I212-M216 WeakPolarHBondContact O-CG 3.31Å; I212-M216 PolarHBondContact O-N 2.79Å
213	H	80.6	Confident	83.7	Confident	13 Å²	13	58.5 Å²	58.5	6%	0.06	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-34.8	174.1	-65.6	-91.3	0	0	0	111.8	Y207 F210 E211 M216 I217 I274	Y207-H213 PolarHBondContact O-CD2 2.83Å; Y207-H213 PolarHBondContact O-NE2 3.28Å; F210-H213 WeakPolarHBondContact O-CB 3.27Å; F210-H213 PolarHBondContact O-N 3.42Å; F210-H213 VanDerWaalsContact O-N 3.13Å; E211-H213 VanDerWaalsContact C-N 3.34Å; H213-M216 HydrophobicContact CB-CE 4.42Å; H213-I217 HydrophobicContact CB-CD1 4.45Å; H213-I217 VanDerWaalsContact O-CB 3.27Å; H213-I217 WeakPolarHBondContact O-CB 3.35Å; H213-I217 WeakPolarHBondContact O-CD1 3.41Å; H213-I217 WeakPolarHBondContact O-CG1 3.38Å; H213-I217 PolarHBondContact O-N 3.49Å; H213-I274 WeakPolarHBondContact CD2-CD1 3.23Å; H213-I274 WeakPolarHBondContact NE2-CD1 3.16Å; H213-I274 VanDerWaalsContact NE2-CG1 3.32Å; H213-I274 WeakPolarHBondContact NE2-CG1 3.37Å
214	G	83.2	Confident	84.6	Confident	26 Å²	26	61.6 Å²	61.6	27%	0.268	31%	0.314	S	S	.	.	H	α-helix	trans	-61.8	-49.6	172	0	0	0	0	0	113.2	F210 E211 I212 M216 N218	F210-G214 PolarHBondContact O-N 3.27Å; E211-G214 WeakPolarHBondContact O-CA 3.44Å; E211-G214 PolarHBondContact O-N 2.88Å; E211-G214 VanDerWaalsContact O-N 3.15Å; I212-G214 VanDerWaalsContact C-N 3.27Å; I212-G214 PolarHBondContact O-N 2.89Å; G214-M216 VanDerWaalsContact C-N 3.32Å; G214-M216 PolarHBondContact O-N 3.15Å; G214-N218 VanDerWaalsContact O-CB 3.22Å; G214-N218 WeakPolarHBondContact O-CB 3.43Å; G214-N218 VanDerWaalsContact O-CG 3.29Å; G214-N218 PolarHBondContact O-N 3.46Å; G214-N218 PolarHBondContact O-ND2 3.47Å
215	E	85.6	Confident	85.5	Confident	90 Å²	90	61 Å²	61	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-59.9	-45.7	176.3	-174.3	175.9	-173.1	0	0	110.5	E211 I212 D219 H494 K496	E211-E215 PolarHBondContact O-N 3.5Å; I212-E215 PolarHBondContact O-N 3.05Å; E215-D219 PolarHBondContact O-N 3.04Å; E215-D219 VanDerWaalsContact O-N 3.07Å; E215-H494 HydrophobicContact CG-CB 3.82Å; E215-K496 IonicContact OE1-NZ 2.74Å; E215-K496 PolarHBondContact OE1-NZ 3.27Å
216	M	87.8	Confident	86.5	Confident	16 Å²	16	58.8 Å²	58.8	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-51.2	178.4	-82.2	-160.9	-55.1	0	0	113.1	Y207 I212 H213 G214 N218 D219 R222 T223	Y207-M216 HydrophobicContact CD1-CE 4.25Å; Y207-M216 HydrophobicContact CE1-CE 3.8Å; Y207-M216 HydrophobicContact CE1-SD 4.01Å; I212-M216 HydrophobicContact CG2-CE 4.09Å; I212-M216 HydrophobicContact CG2-CG 4.5Å; I212-M216 HydrophobicContact CG2-SD 4.48Å; I212-M216 VanDerWaalsContact O-CB 3.23Å; I212-M216 WeakPolarHBondContact O-CB 3.48Å; I212-M216 VanDerWaalsContact O-CG 3.27Å; I212-M216 WeakPolarHBondContact O-CG 3.31Å; I212-M216 PolarHBondContact O-N 2.79Å; H213-M216 HydrophobicContact CB-CE 4.42Å; G214-M216 VanDerWaalsContact C-N 3.32Å; G214-M216 PolarHBondContact O-N 3.15Å; M216-N218 VanDerWaalsContact C-N 3.34Å; M216-N218 PolarHBondContact O-N 3.43Å; M216-D219 WeakPolarHBondContact O-CB 3.42Å; M216-D219 PolarHBondContact O-N 3.25Å; M216-R222 VanDerWaalsContact CB-NH1 3.29Å; M216-R222 VanDerWaalsContact CB-NH2 3.34Å; M216-R222 VanDerWaalsContact CG-NH1 3.28Å; M216-R222 PolarHBondContact O-NE 3.42Å; M216-R222 PolarHBondContact O-NH2 2.94Å; M216-R222 PolarHBondContact SD-NH1 3.42Å; M216-T223 PolarHBondContact O-OG1 3.13Å
217	I	88.5	Confident	87.5	Confident	65 Å²	65	57.9 Å²	57.9	33%	0.333	28%	0.282	S	S	.	.	H	α-helix	trans	-68.5	-35.5	-178.4	-68.6	165.7	0	0	0	111	H213 D219 T223	H213-I217 HydrophobicContact CB-CD1 4.45Å; H213-I217 VanDerWaalsContact O-CB 3.27Å; H213-I217 WeakPolarHBondContact O-CB 3.35Å; H213-I217 WeakPolarHBondContact O-CD1 3.41Å; H213-I217 WeakPolarHBondContact O-CG1 3.38Å; H213-I217 PolarHBondContact O-N 3.49Å; I217-D219 VanDerWaalsContact C-N 3.27Å; I217-D219 PolarHBondContact O-N 3.03Å; I217-T223 PolarHBondContact O-OG1 3.31Å
218	N	89.4	Confident	88.4	Confident	127 Å²	127	60 Å²	60	68%	0.679	30%	0.296	S	S	*	.	H	α-helix	trans	-75.7	-12.8	176.9	-71.8	-47.9	0	0	0	113.6	G214 M216 R220	G214-N218 VanDerWaalsContact O-CB 3.22Å; G214-N218 WeakPolarHBondContact O-CB 3.43Å; G214-N218 VanDerWaalsContact O-CG 3.29Å; G214-N218 PolarHBondContact O-N 3.46Å; G214-N218 PolarHBondContact O-ND2 3.47Å; M216-N218 VanDerWaalsContact C-N 3.34Å; M216-N218 PolarHBondContact O-N 3.43Å; N218-R220 VanDerWaalsContact C-N 3.3Å; N218-R220 PolarHBondContact O-N 3.05Å
219	D	93.4	Very high	89.7	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.059	29%	0.291	C	S	.	.			trans	-65.9	92.1	164.3	-172.5	-25.3	0	0	0	109.3	E215 M216 I217 V221 R222 T223 T493 H494	E215-D219 PolarHBondContact O-N 3.04Å; E215-D219 VanDerWaalsContact O-N 3.07Å; M216-D219 WeakPolarHBondContact O-CB 3.42Å; M216-D219 PolarHBondContact O-N 3.25Å; I217-D219 VanDerWaalsContact C-N 3.27Å; I217-D219 PolarHBondContact O-N 3.03Å; D219-V221 PolarHBondContact OD1-N 3.25Å; D219-R222 HydrophobicContact CB-CB 4.11Å; D219-R222 PolarHBondContact O-N 3.02Å; D219-R222 WeakPolarHBondContact OD1-CB 3.47Å; D219-R222 PolarHBondContact OD1-N 2.79Å; D219-T223 WeakPolarHBondContact O-CB 3.47Å; D219-T223 PolarHBondContact O-N 3.22Å; D219-T223 PolarHBondContact O-OG1 3.04Å; D219-T493 WeakPolarHBondContact OD2-CA 3.34Å; D219-T493 VanDerWaalsContact OD2-CB 3.24Å; D219-T493 WeakPolarHBondContact OD2-CB 3.39Å; D219-H494 IonicContact OD2-CE1 2.78Å; D219-H494 IonicContact OD2-CG 3.61Å; D219-H494 PolarHBondContact OD2-N 3.41Å; D219-H494 IonicContact OD2-ND1 3.94Å; D219-H494 PolarHBondContact OD2-ND1 2.91Å
220	R	93.8	Very high	90.6	Very high	183 Å²	183	55.3 Å²	55.3	69%	0.691	27%	0.271	S	S	*	.	H	α-helix	trans	-65	-39.9	-178.3	-76.5	-175	157.1	-159.7	-9.4	112.4	N218 R222 T223 E224	N218-R220 VanDerWaalsContact C-N 3.3Å; N218-R220 PolarHBondContact O-N 3.05Å; R220-R222 VanDerWaalsContact C-N 3.29Å; R220-R222 PolarHBondContact O-N 2.82Å; R220-T223 PolarHBondContact O-N 3.2Å; R220-E224 HydrophobicContact CB-CG 4.45Å; R220-E224 IonicContact NE-OE1 2.73Å; R220-E224 WeakPolarHBondContact O-CB 3.32Å; R220-E224 VanDerWaalsContact O-CG 3.32Å; R220-E224 WeakPolarHBondContact O-CG 3.15Å; R220-E224 PolarHBondContact O-N 3.05Å
221	V	96.1	Very high	91.6	Very high	34 Å²	34	51.6 Å²	51.6	21%	0.206	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-49	-179.7	176.8	0	0	0	0	109.1	D219 S225 F484 P491 T493	D219-V221 PolarHBondContact OD1-N 3.25Å; V221-S225 VanDerWaalsContact O-CB 3.25Å; V221-S225 WeakPolarHBondContact O-CB 3.41Å; V221-S225 PolarHBondContact O-N 3.36Å; V221-S225 PolarHBondContact O-OG 3.06Å; V221-F484 HydrophobicContact CG1-CB 3.73Å; V221-F484 HydrophobicContact CG1-CD2 4.28Å; V221-F484 HydrophobicContact CG1-CG 4.24Å; V221-P491 HydrophobicContact CG2-CB 3.79Å; V221-T493 HydrophobicContact CB-CG2 3.96Å; V221-T493 HydrophobicContact CG1-CG2 3.92Å
222	R	95.7	Very high	92.8	Very high	19 Å²	19	48.4 Å²	48.4	7%	0.072	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-62.2	174.7	-177.3	-171.7	81.7	151.6	13.1	111.8	M216 D219 R220 E224 S225 Y226 E314 W495	M216-R222 VanDerWaalsContact CB-NH1 3.29Å; M216-R222 VanDerWaalsContact CB-NH2 3.34Å; M216-R222 VanDerWaalsContact CG-NH1 3.28Å; M216-R222 PolarHBondContact O-NE 3.42Å; M216-R222 PolarHBondContact O-NH2 2.94Å; M216-R222 PolarHBondContact SD-NH1 3.42Å; D219-R222 HydrophobicContact CB-CB 4.11Å; D219-R222 PolarHBondContact O-N 3.02Å; D219-R222 WeakPolarHBondContact OD1-CB 3.47Å; D219-R222 PolarHBondContact OD1-N 2.79Å; R220-R222 VanDerWaalsContact C-N 3.29Å; R220-R222 PolarHBondContact O-N 2.82Å; R222-E224 PolarHBondContact O-N 2.93Å; R222-S225 WeakPolarHBondContact O-CB 3.34Å; R222-S225 PolarHBondContact O-N 3.32Å; R222-S225 VanDerWaalsContact O-N 3.16Å; R222-Y226 HydrophobicContact CG-CD2 4.31Å; R222-Y226 HydrophobicContact CG-CE2 4.22Å; R222-Y226 WeakPolarHBondContact O-CD2 3.36Å; R222-Y226 PolarHBondContact O-N 3.39Å; R222-E314 IonicContact CZ-OE2 3.86Å; R222-E314 IonicContact NH1-OE2 3.03Å; R222-E314 PolarHBondContact NH1-OE2 3.47Å; R222-W495 HydrophobicContact CB-CH2 4.07Å; R222-W495 HydrophobicContact CB-CZ3 3.88Å; R222-W495 HydrophobicContact CG-CH2 3.49Å; R222-W495 VanDerWaalsContact CG-CH2 3.49Å; R222-W495 HydrophobicContact CG-CZ3 3.86Å
223	T	94.8	Very high	93.8	Very high	19 Å²	19	46.1 Å²	46.1	12%	0.117	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-43.6	-167.1	-57.8	0	0	0	0	111.5	M216 I217 D219 R220 S225 Y226 V227	M216-T223 PolarHBondContact O-OG1 3.13Å; I217-T223 PolarHBondContact O-OG1 3.31Å; D219-T223 WeakPolarHBondContact O-CB 3.47Å; D219-T223 PolarHBondContact O-N 3.22Å; D219-T223 PolarHBondContact O-OG1 3.04Å; R220-T223 PolarHBondContact O-N 3.2Å; T223-S225 VanDerWaalsContact C-N 3.31Å; T223-S225 PolarHBondContact O-N 3.46Å; T223-Y226 PolarHBondContact O-N 2.88Å; T223-V227 VanDerWaalsContact O-CG2 3.28Å; T223-V227 WeakPolarHBondContact O-CG2 3.36Å; T223-V227 PolarHBondContact O-N 3.28Å
224	E	96.4	Very high	94.6	Very high	94 Å²	94	46.3 Å²	46.3	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-67.6	-31.4	177.6	-62.9	-178.8	-176.4	0	0	111.9	R220 R222 V227 N228	R220-E224 HydrophobicContact CB-CG 4.45Å; R220-E224 IonicContact NE-OE1 2.73Å; R220-E224 WeakPolarHBondContact O-CB 3.32Å; R220-E224 VanDerWaalsContact O-CG 3.32Å; R220-E224 WeakPolarHBondContact O-CG 3.15Å; R220-E224 PolarHBondContact O-N 3.05Å; R222-E224 PolarHBondContact O-N 2.93Å; E224-V227 PolarHBondContact O-N 3.24Å; E224-N228 WeakPolarHBondContact O-CB 3.32Å; E224-N228 PolarHBondContact O-N 3.47Å; E224-N228 PolarHBondContact O-ND2 2.91Å
225	S	98.3	Very high	95.3	Very high	14 Å²	14	51.8 Å²	51.8	10%	0.098	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-45.8	175.4	-64.8	0	0	0	0	111.8	V221 R222 T223 F229 V482	V221-S225 VanDerWaalsContact O-CB 3.25Å; V221-S225 WeakPolarHBondContact O-CB 3.41Å; V221-S225 PolarHBondContact O-N 3.36Å; V221-S225 PolarHBondContact O-OG 3.06Å; R222-S225 WeakPolarHBondContact O-CB 3.34Å; R222-S225 PolarHBondContact O-N 3.32Å; R222-S225 VanDerWaalsContact O-N 3.16Å; T223-S225 VanDerWaalsContact C-N 3.31Å; T223-S225 PolarHBondContact O-N 3.46Å; S225-F229 WeakPolarHBondContact O-CB 3.35Å; S225-F229 PolarHBondContact O-N 3.16Å; S225-V482 WeakPolarHBondContact O-CG1 3.38Å
226	Y	98.4	Very high	95.9	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-47.7	173.9	-83.4	-93.8	0	0	0	111.8	R222 T223 N228 F229 I230 L253 I312 S313 E314 P345 F474	R222-Y226 HydrophobicContact CG-CD2 4.31Å; R222-Y226 HydrophobicContact CG-CE2 4.22Å; R222-Y226 WeakPolarHBondContact O-CD2 3.36Å; R222-Y226 PolarHBondContact O-N 3.39Å; T223-Y226 PolarHBondContact O-N 2.88Å; Y226-N228 PolarHBondContact O-N 3.12Å; Y226-F229 PolarHBondContact O-N 3.23Å; Y226-I230 WeakPolarHBondContact O-CB 3.46Å; Y226-I230 WeakPolarHBondContact O-CD1 3.27Å; Y226-I230 WeakPolarHBondContact O-CG1 3.42Å; Y226-I230 PolarHBondContact O-N 3.44Å; Y226-L253 HydrophobicContact CD1-CD1 3.77Å; Y226-L253 HydrophobicContact CD1-CD2 3.92Å; Y226-L253 HydrophobicContact CE1-CD1 3.92Å; Y226-L253 HydrophobicContact CG-CD1 4.28Å; Y226-L253 HydrophobicContact CG-CD2 3.82Å; Y226-I312 HydrophobicContact CD1-CG2 3.96Å; Y226-I312 HydrophobicContact CE1-CG2 3.82Å; Y226-S313 PolarHBondContact OH-O 3.39Å; Y226-S313 VanDerWaalsContact OH-O 3.12Å; Y226-E314 HydrophobicContact CE2-CB 4.48Å; Y226-E314 HydrophobicContact CE2-CG 4.02Å; Y226-E314 WeakPolarHBondContact OH-CA 3.31Å; Y226-P345 HydrophobicContact CE1-CG 4.01Å; Y226-P345 HydrophobicContact CE2-CG 4.42Å; Y226-P345 WeakPolarHBondContact OH-CD 3.44Å; Y226-P345 WeakPolarHBondContact OH-CG 3.22Å; Y226-F474 AromaticContact CD1-CE1 3.69Å; Y226-F474 HydrophobicContact CD1-CE1 3.69Å; Y226-F474 AromaticContact CD1-CZ 3.93Å; Y226-F474 HydrophobicContact CD1-CZ 3.93Å; Y226-F474 HydrophobicContact CD2-CE1 4.37Å; Y226-F474 AromaticContact CD2-CZ 3.75Å; Y226-F474 HydrophobicContact CD2-CZ 3.75Å; Y226-F474 AromaticContact CE1-CE1 3.96Å; Y226-F474 HydrophobicContact CE1-CE1 3.96Å; Y226-F474 HydrophobicContact CE1-CZ 4.18Å; Y226-F474 HydrophobicContact CE2-CZ 4.01Å; Y226-F474 AromaticContact CG-CE1 3.92Å; Y226-F474 HydrophobicContact CG-CE1 3.92Å; Y226-F474 AromaticContact CG-CZ 3.7Å; Y226-F474 HydrophobicContact CG-CZ 3.7Å
227	V	97.6	Very high	96.4	Very high	30 Å²	30	51.2 Å²	51.2	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-49.2	179.5	172.1	0	0	0	0	111.2	T223 E224 F229 I230 L231 I256	T223-V227 VanDerWaalsContact O-CG2 3.28Å; T223-V227 WeakPolarHBondContact O-CG2 3.36Å; T223-V227 PolarHBondContact O-N 3.28Å; E224-V227 PolarHBondContact O-N 3.24Å; V227-F229 VanDerWaalsContact C-N 3.34Å; V227-F229 PolarHBondContact O-N 3.06Å; V227-I230 PolarHBondContact O-N 3.02Å; V227-L231 HydrophobicContact CG1-CD1 3.68Å; V227-L231 HydrophobicContact CG1-CG 4.33Å; V227-L231 WeakPolarHBondContact O-CB 3.3Å; V227-L231 WeakPolarHBondContact O-CG 3.09Å; V227-L231 PolarHBondContact O-N 2.81Å; V227-I256 HydrophobicContact CG1-CD1 4.48Å; V227-I256 HydrophobicContact CG2-CD1 4.05Å; V227-I256 HydrophobicContact CG2-CG1 4.01Å; V227-I256 HydrophobicContact CG2-CG2 4.35Å
228	N	98.1	Very high	96.8	Very high	81 Å²	81	48.1 Å²	48.1	43%	0.433	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-42.4	-179.1	-71.9	-27.1	0	0	0	111.2	E224 Y226 S232 V482	E224-N228 WeakPolarHBondContact O-CB 3.32Å; E224-N228 PolarHBondContact O-N 3.47Å; E224-N228 PolarHBondContact O-ND2 2.91Å; Y226-N228 PolarHBondContact O-N 3.12Å; N228-S232 WeakPolarHBondContact O-CB 3.09Å; N228-S232 PolarHBondContact O-N 3.4Å; N228-S232 PolarHBondContact O-OG 3.27Å; N228-V482 HydrophobicContact CB-CG2 4.36Å
229	F	98.6	Very high	97.2	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-50	178	178.8	-100.7	0	0	0	111.9	S225 Y226 V227 N233 Y237 F238 F344 F474 D475 A478 V482	S225-F229 WeakPolarHBondContact O-CB 3.35Å; S225-F229 PolarHBondContact O-N 3.16Å; Y226-F229 PolarHBondContact O-N 3.23Å; V227-F229 VanDerWaalsContact C-N 3.34Å; V227-F229 PolarHBondContact O-N 3.06Å; F229-N233 WeakPolarHBondContact CD2-ND2 3.38Å; F229-N233 WeakPolarHBondContact O-CB 3.35Å; F229-N233 PolarHBondContact O-N 3.46Å; F229-N233 VanDerWaalsContact O-N 3.11Å; F229-N233 PolarHBondContact O-ND2 3.3Å; F229-Y237 HydrophobicContact CZ-CD2 4.1Å; F229-Y237 HydrophobicContact CZ-CE2 4.18Å; F229-F238 HydrophobicContact CD1-CE2 4.33Å; F229-F238 HydrophobicContact CD1-CZ 4.35Å; F229-F238 HydrophobicContact CE1-CE2 4.08Å; F229-F238 HydrophobicContact CE1-CZ 4.1Å; F229-F344 HydrophobicContact CE1-CB 4.04Å; F229-F344 AromaticContact CE1-CD1 3.76Å; F229-F344 HydrophobicContact CE1-CD1 3.76Å; F229-F344 AromaticContact CE1-CD2 3.64Å; F229-F344 HydrophobicContact CE1-CD2 3.64Å; F229-F344 HydrophobicContact CE1-CE1 4.1Å; F229-F344 AromaticContact CE1-CE2 3.97Å; F229-F344 HydrophobicContact CE1-CE2 3.97Å; F229-F344 AromaticContact CE1-CG 3.53Å; F229-F344 HydrophobicContact CE1-CG 3.53Å; F229-F344 HydrophobicContact CE1-CZ 4.19Å; F229-F344 AromaticContact CZ-CD1 3.69Å; F229-F344 HydrophobicContact CZ-CD1 3.69Å; F229-F344 HydrophobicContact CZ-CD2 4.21Å; F229-F344 AromaticContact CZ-CE1 3.68Å; F229-F344 HydrophobicContact CZ-CE1 3.68Å; F229-F344 HydrophobicContact CZ-CE2 4.18Å; F229-F344 AromaticContact CZ-CG 3.97Å; F229-F344 HydrophobicContact CZ-CG 3.97Å; F229-F344 AromaticContact CZ-CZ 3.92Å; F229-F344 HydrophobicContact CZ-CZ 3.92Å; F229-F474 HydrophobicContact CB-CB 4.34Å; F229-F474 HydrophobicContact CB-CD1 3.57Å; F229-F474 HydrophobicContact CB-CD2 4.42Å; F229-F474 HydrophobicContact CB-CE1 3.87Å; F229-F474 HydrophobicContact CB-CG 3.85Å; F229-F474 HydrophobicContact CB-CZ 4.42Å; F229-F474 HydrophobicContact CD1-CB 4.11Å; F229-F474 AromaticContact CD1-CD1 3.31Å; F229-F474 HydrophobicContact CD1-CD1 3.31Å; F229-F474 HydrophobicContact CD1-CE1 4.03Å; F229-F474 HydrophobicContact CD1-CG 4.03Å; F229-F474 HydrophobicContact CD2-CB 3.27Å; F229-F474 AromaticContact CD2-CD1 3.93Å; F229-F474 HydrophobicContact CD2-CD1 3.93Å; F229-F474 AromaticContact CD2-CG 3.76Å; F229-F474 HydrophobicContact CD2-CG 3.76Å; F229-F474 HydrophobicContact CE1-CB 4.24Å; F229-F474 AromaticContact CE1-CD1 3.93Å; F229-F474 HydrophobicContact CE1-CD1 3.93Å; F229-F474 HydrophobicContact CE2-CB 3.42Å; F229-F474 VanDerWaalsContact CE2-CB 3.42Å; F229-F474 HydrophobicContact CE2-CD1 4.46Å; F229-F474 HydrophobicContact CE2-CG 4.31Å; F229-F474 HydrophobicContact CG-CB 3.63Å; F229-F474 AromaticContact CG-CD1 3.29Å; F229-F474 HydrophobicContact CG-CD1 3.29Å; F229-F474 HydrophobicContact CG-CE1 4.05Å; F229-F474 AromaticContact CG-CG 3.58Å; F229-F474 HydrophobicContact CG-CG 3.58Å; F229-F474 HydrophobicContact CZ-CB 3.91Å; F229-F474 HydrophobicContact CZ-CD1 4.46Å; F229-D475 HydrophobicContact CE2-CB 4.19Å; F229-D475 HydrophobicContact CZ-CB 4.2Å; F229-A478 HydrophobicContact CE2-CB 3.86Å; F229-V482 HydrophobicContact CB-CB 4Å; F229-V482 HydrophobicContact CB-CG1 4.44Å; F229-V482 HydrophobicContact CB-CG2 3.93Å; F229-V482 HydrophobicContact CD2-CB 4.28Å; F229-V482 HydrophobicContact CD2-CG2 4.32Å
230	I	98.5	Very high	97.5	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-48.4	-176.5	-67.6	165.8	0	0	0	110.7	Y226 V227 A234 F238 I256 A260 I312	Y226-I230 WeakPolarHBondContact O-CB 3.46Å; Y226-I230 WeakPolarHBondContact O-CD1 3.27Å; Y226-I230 WeakPolarHBondContact O-CG1 3.42Å; Y226-I230 PolarHBondContact O-N 3.44Å; V227-I230 PolarHBondContact O-N 3.02Å; I230-A234 WeakPolarHBondContact O-CA 3.31Å; I230-A234 PolarHBondContact O-N 3.47Å; I230-A234 VanDerWaalsContact O-N 3.14Å; I230-F238 HydrophobicContact CB-CE2 4.2Å; I230-F238 HydrophobicContact CB-CZ 4.25Å; I230-F238 HydrophobicContact CG1-CE1 4.17Å; I230-F238 HydrophobicContact CG1-CE2 4.18Å; I230-F238 HydrophobicContact CG1-CZ 3.76Å; I230-F238 HydrophobicContact CG2-CD1 4.2Å; I230-F238 HydrophobicContact CG2-CD2 4.15Å; I230-F238 HydrophobicContact CG2-CE1 4.27Å; I230-F238 HydrophobicContact CG2-CE2 4.19Å; I230-F238 HydrophobicContact CG2-CG 4.16Å; I230-F238 HydrophobicContact CG2-CZ 4.26Å; I230-F238 WeakPolarHBondContact O-CD2 3.41Å; I230-I256 HydrophobicContact CB-CG2 4Å; I230-I256 HydrophobicContact CD1-CG2 4.06Å; I230-I256 HydrophobicContact CG2-CG2 3.8Å; I230-A260 HydrophobicContact CG2-CB 3.57Å; I230-I312 HydrophobicContact CD1-CD1 3.74Å; I230-I312 HydrophobicContact CG1-CD1 4.1Å
231	L	98.3	Very high	97.7	Very high	75 Å²	75	47 Å²	47	39%	0.393	24%	0.236	S	C	.	.	H	α-helix	trans	-73.8	-41.2	-176.9	-64.4	-179.8	0	0	0	112.5	V227 N233 A234 I256 A260	V227-L231 HydrophobicContact CG1-CD1 3.68Å; V227-L231 HydrophobicContact CG1-CG 4.33Å; V227-L231 WeakPolarHBondContact O-CB 3.3Å; V227-L231 WeakPolarHBondContact O-CG 3.09Å; V227-L231 PolarHBondContact O-N 2.81Å; L231-N233 VanDerWaalsContact C-N 3.28Å; L231-N233 PolarHBondContact O-N 2.8Å; L231-A234 WeakPolarHBondContact O-CB 3.15Å; L231-A234 PolarHBondContact O-N 2.66Å; L231-I256 HydrophobicContact CD2-CG2 4.28Å; L231-I256 HydrophobicContact CG-CG2 4.23Å; L231-A260 HydrophobicContact CD2-CB 4.28Å
232	S	98.1	Very high	97.8	Very high	66 Å²	66	47.4 Å²	47.4	46%	0.462	24%	0.237	S	C	.	.	H	α-helix	trans	-74	-20.4	-176.9	-52.2	0	0	0	0	113.1	N228	N228-S232 WeakPolarHBondContact O-CB 3.09Å; N228-S232 PolarHBondContact O-N 3.4Å; N228-S232 PolarHBondContact O-OG 3.27Å
233	N	98.3	Very high	98	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.011	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	20.4	176.5	-57	-82.3	0	0	0	112.7	F229 L231 E235 K236 Y237 D479 C480	F229-N233 WeakPolarHBondContact CD2-ND2 3.38Å; F229-N233 WeakPolarHBondContact O-CB 3.35Å; F229-N233 PolarHBondContact O-N 3.46Å; F229-N233 VanDerWaalsContact O-N 3.11Å; F229-N233 PolarHBondContact O-ND2 3.3Å; L231-N233 VanDerWaalsContact C-N 3.28Å; L231-N233 PolarHBondContact O-N 2.8Å; N233-E235 PolarHBondContact O-N 3.07Å; N233-K236 PolarHBondContact O-N 3.02Å; N233-K236 VanDerWaalsContact O-N 3.16Å; N233-Y237 HydrophobicContact CB-CD2 3.63Å; N233-Y237 HydrophobicContact CB-CE2 4.06Å; N233-Y237 PolarHBondContact O-N 2.79Å; N233-D479 PolarHBondContact OD1-N 2.82Å; N233-D479 VanDerWaalsContact OD1-N 3.16Å; N233-C480 PolarHBondContact ND2-O 3.35Å; N233-C480 PolarHBondContact OD1-N 3.47Å
234	A	98.2	Very high	98.2	Very high	16 Å²	16	45.6 Å²	45.6	13%	0.132	23%	0.228	C	C	.	.	I	π-helix	trans	-53.5	-50.5	-175.4	0	0	0	0	0	113.1	I230 L231 K236 F238 K239 A260	I230-A234 WeakPolarHBondContact O-CA 3.31Å; I230-A234 PolarHBondContact O-N 3.47Å; I230-A234 VanDerWaalsContact O-N 3.14Å; L231-A234 WeakPolarHBondContact O-CB 3.15Å; L231-A234 PolarHBondContact O-N 2.66Å; A234-K236 VanDerWaalsContact C-N 3.25Å; A234-K236 PolarHBondContact O-N 3.01Å; A234-F238 CarbonylContact O-C 3.54Å; A234-F238 PolarHBondContact O-N 3.28Å; A234-K239 WeakPolarHBondContact O-CB 3.43Å; A234-K239 PolarHBondContact O-N 3.02Å; A234-A260 HydrophobicContact CB-CB 3.84Å
235	E	98	Very high	98.3	Very high	142 Å²	142	41.3 Å²	41.3	66%	0.664	21%	0.208	S	C	*	.	I	π-helix	trans	-60.8	-33.5	-178.3	-67.3	-67.3	150	0	0	112.9	N233 K239	N233-E235 PolarHBondContact O-N 3.07Å; E235-K239 VanDerWaalsContact CD-CD 3.44Å; E235-K239 WeakPolarHBondContact OE1-CD 3.24Å; E235-K239 IonicContact OE1-NZ 3.92Å; E235-K239 PolarHBondContact OE1-NZ 2.79Å; E235-K239 WeakPolarHBondContact OE2-CD 3.29Å; E235-K239 IonicContact OE2-NZ 2.73Å; E235-K239 PolarHBondContact OE2-NZ 3.36Å
236	K	97.3	Very high	98.2	Very high	83 Å²	83	40.6 Å²	40.6	36%	0.361	20%	0.203	S	C	.	.	I	π-helix	trans	-82.2	-46.7	-175.9	-173.7	175.6	-179.1	178.6	0	112.2	N233 A234 D477 D479	N233-K236 PolarHBondContact O-N 3.02Å; N233-K236 VanDerWaalsContact O-N 3.16Å; A234-K236 VanDerWaalsContact C-N 3.25Å; A234-K236 PolarHBondContact O-N 3.01Å; K236-D477 PolarHBondContact NZ-O 3.38Å; K236-D479 IonicContact NZ-OD1 2.65Å
237	Y	97.7	Very high	98.1	Very high	11 Å²	11	42 Å²	42	4%	0.043	22%	0.219	C	C	.	.	I	π-helix	trans	-113.1	-23.8	-167.7	-61.6	-57.1	0	0	0	115.1	F229 N233 K241 V310 H342 F344 D475 A478	F229-Y237 HydrophobicContact CZ-CD2 4.1Å; F229-Y237 HydrophobicContact CZ-CE2 4.18Å; N233-Y237 HydrophobicContact CB-CD2 3.63Å; N233-Y237 HydrophobicContact CB-CE2 4.06Å; N233-Y237 PolarHBondContact O-N 2.79Å; Y237-K241 WeakPolarHBondContact O-CG 3.42Å; Y237-V310 VanDerWaalsContact O-CG2 3.26Å; Y237-V310 WeakPolarHBondContact O-CG2 3.1Å; Y237-H342 AromaticContact CD1-CD2 3.94Å; Y237-H342 AromaticContact CE1-NE2 3.98Å; Y237-F344 HydrophobicContact CD1-CE2 4.19Å; Y237-F344 AromaticContact CD1-CZ 3.8Å; Y237-F344 HydrophobicContact CD1-CZ 3.8Å; Y237-F344 HydrophobicContact CD2-CE2 4.29Å; Y237-F344 AromaticContact CD2-CZ 4Å; Y237-F344 HydrophobicContact CD2-CZ 4Å; Y237-F344 HydrophobicContact CE1-CZ 4.02Å; Y237-F344 HydrophobicContact CE2-CZ 4.22Å; Y237-F344 AromaticContact CG-CE2 3.91Å; Y237-F344 HydrophobicContact CG-CE2 3.91Å; Y237-F344 AromaticContact CG-CZ 3.8Å; Y237-F344 HydrophobicContact CG-CZ 3.8Å; Y237-D475 VanDerWaalsContact CZ-OD2 3.27Å; Y237-D475 PolarHBondContact OH-OD2 3.27Å; Y237-A478 HydrophobicContact CE2-CB 4.05Å
238	F	98.4	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-116.2	-35.8	-168.3	-63.3	-81.4	0	0	0	113.8	F229 I230 A234 H240 K241 I243 A260 A262 V310 I312 F344	F229-F238 HydrophobicContact CD1-CE2 4.33Å; F229-F238 HydrophobicContact CD1-CZ 4.35Å; F229-F238 HydrophobicContact CE1-CE2 4.08Å; F229-F238 HydrophobicContact CE1-CZ 4.1Å; I230-F238 HydrophobicContact CB-CE2 4.2Å; I230-F238 HydrophobicContact CB-CZ 4.25Å; I230-F238 HydrophobicContact CG1-CE1 4.17Å; I230-F238 HydrophobicContact CG1-CE2 4.18Å; I230-F238 HydrophobicContact CG1-CZ 3.76Å; I230-F238 HydrophobicContact CG2-CD1 4.2Å; I230-F238 HydrophobicContact CG2-CD2 4.15Å; I230-F238 HydrophobicContact CG2-CE1 4.27Å; I230-F238 HydrophobicContact CG2-CE2 4.19Å; I230-F238 HydrophobicContact CG2-CG 4.16Å; I230-F238 HydrophobicContact CG2-CZ 4.26Å; I230-F238 WeakPolarHBondContact O-CD2 3.41Å; A234-F238 CarbonylContact O-C 3.54Å; A234-F238 PolarHBondContact O-N 3.28Å; F238-H240 PolarHBondContact O-N 3.24Å; F238-K241 VanDerWaalsContact O-CB 3.29Å; F238-K241 WeakPolarHBondContact O-CB 3.16Å; F238-K241 PolarHBondContact O-N 2.92Å; F238-I243 HydrophobicContact CD1-CD1 3.76Å; F238-I243 HydrophobicContact CD1-CG1 4.34Å; F238-I243 HydrophobicContact CE1-CD1 4.38Å; F238-A260 HydrophobicContact CB-CB 3.79Å; F238-A260 HydrophobicContact CG-CB 4.24Å; F238-A262 VanDerWaalsContact O-CA 3.24Å; F238-A262 WeakPolarHBondContact O-CA 3.43Å; F238-A262 PolarHBondContact O-N 3.22Å; F238-V310 HydrophobicContact CE1-CG1 3.99Å; F238-V310 HydrophobicContact CZ-CG1 4.47Å; F238-I312 HydrophobicContact CD1-CD1 4.4Å; F238-I312 HydrophobicContact CE1-CD1 3.48Å; F238-I312 VanDerWaalsContact CE1-CD1 3.48Å; F238-I312 HydrophobicContact CE1-CG1 4.06Å; F238-I312 HydrophobicContact CZ-CD1 4.13Å; F238-F344 AromaticContact CZ-CD2 3.98Å; F238-F344 HydrophobicContact CZ-CD2 3.98Å; F238-F344 HydrophobicContact CZ-CE2 4.29Å
239	K	98.3	Very high	97.7	Very high	72 Å²	72	37.5 Å²	37.5	31%	0.313	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	126.1	-172.5	-168.7	179.1	-178.2	176.8	0	112	A234 E235 K241 G261	A234-K239 WeakPolarHBondContact O-CB 3.43Å; A234-K239 PolarHBondContact O-N 3.02Å; E235-K239 VanDerWaalsContact CD-CD 3.44Å; E235-K239 WeakPolarHBondContact OE1-CD 3.24Å; E235-K239 IonicContact OE1-NZ 3.92Å; E235-K239 PolarHBondContact OE1-NZ 2.79Å; E235-K239 WeakPolarHBondContact OE2-CD 3.29Å; E235-K239 IonicContact OE2-NZ 2.73Å; E235-K239 PolarHBondContact OE2-NZ 3.36Å; K239-K241 PolarHBondContact O-N 2.82Å; K239-G261 WeakPolarHBondContact CA-O 3.42Å
240	H	98.3	Very high	97.4	Very high	145 Å²	145	38.9 Å²	38.9	67%	0.671	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	17.2	-174.7	-45.4	129.8	0	0	0	114.9	F238 G261 S263	F238-H240 PolarHBondContact O-N 3.24Å; H240-G261 PolarHBondContact N-O 3.04Å; H240-S263 PolarHBondContact O-OG 3.37Å
241	K	98.5	Very high	97.2	Very high	79 Å²	79	38.9 Å²	38.9	34%	0.343	21%	0.205	S	C	.	.			trans	-98.8	150.2	179.3	-60.8	-56.4	-166.2	160.2	0	111.9	Y237 F238 K239 I243 A262 S263 D309	Y237-K241 WeakPolarHBondContact O-CG 3.42Å; F238-K241 VanDerWaalsContact O-CB 3.29Å; F238-K241 WeakPolarHBondContact O-CB 3.16Å; F238-K241 PolarHBondContact O-N 2.92Å; K239-K241 PolarHBondContact O-N 2.82Å; K241-I243 HydrophobicContact CB-CD1 3.83Å; K241-A262 CarbonylContact O-C 3.5Å; K241-A262 WeakPolarHBondContact O-CA 3.28Å; K241-S263 PolarHBondContact O-N 3.13Å; K241-S263 PolarHBondContact O-OG 2.92Å; K241-D309 WeakPolarHBondContact CA-OD2 3.46Å; K241-D309 HydrophobicContact CB-CB 3.86Å; K241-D309 HydrophobicContact CD-CB 3.92Å; K241-D309 HydrophobicContact CG-CB 4.25Å
242	I	98.6	Very high	97	Very high	44 Å²	44	37.9 Å²	37.9	23%	0.226	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123	171.6	-56.9	176.2	0	0	0	108.1	S263 H264 Y266 V305 V308 D309 V310	I242-S263 WeakPolarHBondContact CG1-OG 3.16Å; I242-S263 PolarHBondContact N-OG 3.49Å; I242-H264 WeakPolarHBondContact CA-O 3.3Å; I242-Y266 HydrophobicContact CG2-CD2 3.93Å; I242-Y266 HydrophobicContact CG2-CE2 3.79Å; I242-V305 HydrophobicContact CG2-CG2 4.37Å; I242-V308 HydrophobicContact CG2-CB 4.3Å; I242-V308 HydrophobicContact CG2-CG1 3.88Å; I242-D309 PolarHBondContact N-OD2 2.83Å; I242-D309 PolarHBondContact O-N 3.37Å; I242-V310 PolarHBondContact O-N 3.15Å
243	I	98.7	Very high	97	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141	-174.1	-44.2	-61.4	0	0	0	109.7	F238 K241 A257 A262 H264 V265 Y266 V310 I312	F238-I243 HydrophobicContact CD1-CD1 3.76Å; F238-I243 HydrophobicContact CD1-CG1 4.34Å; F238-I243 HydrophobicContact CE1-CD1 4.38Å; K241-I243 HydrophobicContact CB-CD1 3.83Å; I243-A257 HydrophobicContact CG1-CB 4.42Å; I243-A257 HydrophobicContact CG2-CB 4.21Å; I243-A262 HydrophobicContact CD1-CB 4.45Å; I243-A262 HydrophobicContact CG1-CB 3.57Å; I243-H264 PolarHBondContact N-O 2.84Å; I243-V265 HydrophobicContact CB-CG1 4.2Å; I243-V265 HydrophobicContact CB-CG2 4.18Å; I243-V265 HydrophobicContact CG1-CG2 4.34Å; I243-V265 HydrophobicContact CG2-CG1 4.5Å; I243-V265 WeakPolarHBondContact O-CA 3.41Å; I243-Y266 PolarHBondContact O-N 3.4Å; I243-V310 WeakPolarHBondContact CA-O 3.33Å; I243-V310 HydrophobicContact CD1-CB 3.69Å; I243-V310 HydrophobicContact CD1-CG1 4.48Å; I243-V310 HydrophobicContact CD1-CG2 4.03Å; I243-V310 HydrophobicContact CG2-CB 4.49Å; I243-I312 HydrophobicContact CG2-CD1 3.92Å; I243-I312 HydrophobicContact CG2-CG1 4.03Å
244	L	98.7	Very high	97	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.6	168	175.3	67.8	0	0	0	109.6	V246 Y266 V268 L303 V308 V310 I311 I312 M332	L244-V246 HydrophobicContact CD2-CG2 3.7Å; L244-V246 HydrophobicContact CG-CG2 3.78Å; L244-Y266 CarbonylContact C-O 3.39Å; L244-Y266 VanDerWaalsContact CA-O 3.27Å; L244-Y266 WeakPolarHBondContact CA-O 3.15Å; L244-V268 HydrophobicContact CD1-CG2 3.96Å; L244-L303 HydrophobicContact CD1-CD1 3.85Å; L244-L303 HydrophobicContact CD1-CD2 3.94Å; L244-L303 HydrophobicContact CD2-CD1 4.02Å; L244-L303 HydrophobicContact CG-CD1 4.45Å; L244-V308 HydrophobicContact CB-CB 4.3Å; L244-V308 HydrophobicContact CB-CG1 4.12Å; L244-V308 HydrophobicContact CB-CG2 3.9Å; L244-V310 PolarHBondContact N-O 2.92Å; L244-I311 HydrophobicContact CB-CG1 4.13Å; L244-I311 HydrophobicContact CD2-CD1 4.17Å; L244-I311 HydrophobicContact CD2-CG1 4.01Å; L244-I311 CarbonylContact O-C 3.56Å; L244-I311 WeakPolarHBondContact O-CA 3.22Å; L244-I312 PolarHBondContact O-N 3.28Å; L244-M332 HydrophobicContact CD1-CE 4.26Å; L244-M332 HydrophobicContact CD2-CB 4.26Å; L244-M332 HydrophobicContact CD2-CE 3.68Å
245	D	98.5	Very high	97	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	108.3	173.2	-172.5	7.9	0	0	0	108.7	S248 S254 Y266 G267 V268 I312	D245-S248 WeakPolarHBondContact OD2-CB 3.22Å; D245-S254 WeakPolarHBondContact CB-OG 3.35Å; D245-S254 PolarHBondContact OD2-N 2.98Å; D245-S254 VanDerWaalsContact OD2-N 3.12Å; D245-S254 PolarHBondContact OD2-OG 2.93Å; D245-Y266 PolarHBondContact N-O 2.85Å; D245-G267 CarbonylContact O-C 3.6Å; D245-G267 WeakPolarHBondContact O-CA 3.38Å; D245-V268 PolarHBondContact O-N 3.37Å; D245-I312 WeakPolarHBondContact CA-O 3.45Å
246	V	97.6	Very high	97	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	116.6	-175.1	-177.9	0	0	0	0	109.5	L244 A298 I311 I312 S313 M325 V329 M332	L244-V246 HydrophobicContact CD2-CG2 3.7Å; L244-V246 HydrophobicContact CG-CG2 3.78Å; V246-A298 HydrophobicContact CG1-CB 3.77Å; V246-I311 HydrophobicContact CG2-CG2 3.9Å; V246-I312 PolarHBondContact N-O 3.12Å; V246-S313 PolarHBondContact O-OG 2.63Å; V246-M325 HydrophobicContact CG1-CE 4.26Å; V246-M325 WeakPolarHBondContact O-CE 3.21Å; V246-V329 HydrophobicContact CG1-CG2 4.33Å; V246-M332 HydrophobicContact CG1-CG 4.47Å; V246-M332 HydrophobicContact CG2-CB 4.21Å; V246-M332 HydrophobicContact CG2-CG 4.28Å
247	G	94.7	Very high	97	Very high	32 Å²	32	25.7 Å²	25.7	33%	0.33	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	55.8	-168.6	0	0	0	0	0	110.8	G249 V268	G247-G249 PolarHBondContact O-N 3.25Å; G247-G249 VanDerWaalsContact O-N 3.15Å; G247-V268 CarbonylContact C-O 3.48Å; G247-V268 WeakPolarHBondContact CA-O 3.45Å; G247-V268 PolarHBondContact N-O 2.95Å
248	S	95.3	Very high	97	Very high	8 Å²	8	25.1 Å²	25.1	6%	0.056	13%	0.133	C	C	.	.			trans	-65.6	-19.8	-169.1	55.1	0	0	0	0	113.8	D245 S250 G251 V268	D245-S248 WeakPolarHBondContact OD2-CB 3.22Å; S248-S250 PolarHBondContact O-N 3.27Å; S248-G251 WeakPolarHBondContact O-CA 3.37Å; S248-G251 PolarHBondContact O-N 2.8Å; S248-V268 PolarHBondContact N-O 3.03Å
249	G	92.6	Very high	97	Very high	8 Å²	8	30.8 Å²	30.8	8%	0.082	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-128.3	179.4	0	0	0	0	0	111.7	G247 G251 E269 I274 S278	G247-G249 PolarHBondContact O-N 3.25Å; G247-G249 VanDerWaalsContact O-N 3.15Å; G249-G251 PolarHBondContact O-N 3.05Å; G249-E269 WeakPolarHBondContact CA-OE2 3.47Å; G249-E269 PolarHBondContact N-OE2 3.08Å; G249-I274 VanDerWaalsContact O-CG2 3.31Å; G249-I274 WeakPolarHBondContact O-CG2 3.45Å; G249-S278 WeakPolarHBondContact O-CB 3.44Å
250	S	91.6	Very high	97	Very high	30 Å²	30	27.7 Å²	27.7	21%	0.21	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.3	173	63.4	0	0	0	0	115.1	S248 S278	S248-S250 PolarHBondContact O-N 3.27Å; S250-S278 WeakPolarHBondContact O-CB 3.37Å
251	G	95.1	Very high	97	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	86.9	7.6	-178.2	0	0	0	0	0	114.5	S248 G249 L253 S254 I255 F293	S248-G251 WeakPolarHBondContact O-CA 3.37Å; S248-G251 PolarHBondContact O-N 2.8Å; G249-G251 PolarHBondContact O-N 3.05Å; G251-L253 PolarHBondContact O-N 2.83Å; G251-S254 WeakPolarHBondContact O-CB 3.32Å; G251-S254 PolarHBondContact O-N 2.97Å; G251-I255 WeakPolarHBondContact O-CG1 3.28Å; G251-I255 PolarHBondContact O-N 2.8Å; G251-F293 VanDerWaalsContact CA-CZ 3.43Å
252	I	95.3	Very high	97	Very high	54 Å²	54	18.2 Å²	18.2	28%	0.277	11%	0.111	S	C	.	.	H	α-helix	trans	-58.8	-44.8	-175.6	-173	58.7	0	0	0	112.6	S254 I255 I256	I252-S254 VanDerWaalsContact C-N 3.34Å; I252-S254 PolarHBondContact O-N 2.91Å; I252-I255 PolarHBondContact O-N 2.93Å; I252-I256 HydrophobicContact CD1-CG1 4.48Å; I252-I256 VanDerWaalsContact O-CG1 3.27Å; I252-I256 WeakPolarHBondContact O-CG1 3.26Å; I252-I256 PolarHBondContact O-N 2.88Å
253	L	96.6	Very high	96.9	Very high	19 Å²	19	18.9 Å²	18.9	10%	0.099	12%	0.12	C	C	.	.	H	α-helix	trans	-66	-39.6	178.7	-62.2	-174.2	0	0	0	111.3	Y226 G251 I255 I256 A257 I312 E314	Y226-L253 HydrophobicContact CD1-CD1 3.77Å; Y226-L253 HydrophobicContact CD1-CD2 3.92Å; Y226-L253 HydrophobicContact CE1-CD1 3.92Å; Y226-L253 HydrophobicContact CG-CD1 4.28Å; Y226-L253 HydrophobicContact CG-CD2 3.82Å; G251-L253 PolarHBondContact O-N 2.83Å; L253-I255 VanDerWaalsContact C-N 3.34Å; L253-I255 PolarHBondContact O-N 3.04Å; L253-I256 PolarHBondContact O-N 2.78Å; L253-A257 WeakPolarHBondContact O-CB 3.33Å; L253-A257 PolarHBondContact O-N 3.07Å; L253-I312 HydrophobicContact CD1-CG2 4.06Å; L253-E314 HydrophobicContact CD1-CB 4.39Å
254	S	98.3	Very high	96.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.6	-42.5	172.9	-71.1	0	0	0	0	113.2	D245 G251 I252 A257 A258	D245-S254 WeakPolarHBondContact CB-OG 3.35Å; D245-S254 PolarHBondContact OD2-N 2.98Å; D245-S254 VanDerWaalsContact OD2-N 3.12Å; D245-S254 PolarHBondContact OD2-OG 2.93Å; G251-S254 WeakPolarHBondContact O-CB 3.32Å; G251-S254 PolarHBondContact O-N 2.97Å; I252-S254 VanDerWaalsContact C-N 3.34Å; I252-S254 PolarHBondContact O-N 2.91Å; S254-A257 PolarHBondContact O-N 2.96Å; S254-A258 PolarHBondContact O-N 3.31Å
255	I	98	Very high	96.9	Very high	18 Å²	18	20.7 Å²	20.7	9%	0.092	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-45.3	176.6	-68.6	169.6	0	0	0	110.7	G251 I252 L253 A258 Q259 T281 L282 L287	G251-I255 WeakPolarHBondContact O-CG1 3.28Å; G251-I255 PolarHBondContact O-N 2.8Å; I252-I255 PolarHBondContact O-N 2.93Å; L253-I255 VanDerWaalsContact C-N 3.34Å; L253-I255 PolarHBondContact O-N 3.04Å; I255-A258 WeakPolarHBondContact O-CB 3.44Å; I255-A258 PolarHBondContact O-N 2.84Å; I255-Q259 WeakPolarHBondContact O-CG 3.5Å; I255-Q259 PolarHBondContact O-N 2.82Å; I255-T281 HydrophobicContact CD1-CG2 3.84Å; I255-L282 HydrophobicContact CD1-CD2 4.43Å; I255-L282 HydrophobicContact CG1-CD2 4.02Å; I255-L287 HydrophobicContact CB-CD1 4.19Å; I255-L287 HydrophobicContact CD1-CD1 4.33Å; I255-L287 HydrophobicContact CG1-CD1 3.75Å; I255-L287 HydrophobicContact CG2-CD1 3.7Å
256	I	97.9	Very high	96.9	Very high	16 Å²	16	21.8 Å²	21.8	8%	0.082	13%	0.132	C	C	.	.	H	α-helix	trans	-65.2	-40.1	179.4	-62.4	-67.8	0	0	0	111.2	V227 I230 L231 I252 L253 A258 Q259 A260	V227-I256 HydrophobicContact CG1-CD1 4.48Å; V227-I256 HydrophobicContact CG2-CD1 4.05Å; V227-I256 HydrophobicContact CG2-CG1 4.01Å; V227-I256 HydrophobicContact CG2-CG2 4.35Å; I230-I256 HydrophobicContact CB-CG2 4Å; I230-I256 HydrophobicContact CD1-CG2 4.06Å; I230-I256 HydrophobicContact CG2-CG2 3.8Å; L231-I256 HydrophobicContact CD2-CG2 4.28Å; L231-I256 HydrophobicContact CG-CG2 4.23Å; I252-I256 HydrophobicContact CD1-CG1 4.48Å; I252-I256 VanDerWaalsContact O-CG1 3.27Å; I252-I256 WeakPolarHBondContact O-CG1 3.26Å; I252-I256 PolarHBondContact O-N 2.88Å; L253-I256 PolarHBondContact O-N 2.78Å; I256-A258 VanDerWaalsContact C-N 3.34Å; I256-A258 PolarHBondContact O-N 2.55Å; I256-Q259 WeakPolarHBondContact O-CB 2.97Å; I256-Q259 PolarHBondContact O-N 2.84Å; I256-Q259 VanDerWaalsContact O-N 3.16Å; I256-A260 PolarHBondContact O-N 3.16Å
257	A	98.5	Very high	97	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.3	-39.9	173.9	0	0	0	0	0	112.1	I243 L253 S254 A260 A262 V265 I312	I243-A257 HydrophobicContact CG1-CB 4.42Å; I243-A257 HydrophobicContact CG2-CB 4.21Å; L253-A257 WeakPolarHBondContact O-CB 3.33Å; L253-A257 PolarHBondContact O-N 3.07Å; S254-A257 PolarHBondContact O-N 2.96Å; A257-A260 PolarHBondContact O-N 3.44Å; A257-A262 WeakPolarHBondContact O-CB 3.19Å; A257-A262 PolarHBondContact O-N 3.5Å; A257-V265 HydrophobicContact CB-CG2 4.01Å; A257-I312 HydrophobicContact CB-CD1 4.17Å
258	A	98.3	Very high	97.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-42.1	172.3	0	0	0	0	0	111.6	S254 I255 I256 A260 G261 V265 R290 V291	S254-A258 PolarHBondContact O-N 3.31Å; I255-A258 WeakPolarHBondContact O-CB 3.44Å; I255-A258 PolarHBondContact O-N 2.84Å; I256-A258 VanDerWaalsContact C-N 3.34Å; I256-A258 PolarHBondContact O-N 2.55Å; A258-A260 VanDerWaalsContact C-N 3.29Å; A258-A260 PolarHBondContact O-N 2.94Å; A258-G261 PolarHBondContact O-N 3.32Å; A258-V265 HydrophobicContact CB-CG2 4.15Å; A258-R290 HydrophobicContact CB-CB 4.44Å; A258-R290 PolarHBondContact O-NH1 2.97Å; A258-R290 PolarHBondContact O-NH2 2.93Å; A258-V291 HydrophobicContact CB-CG2 3.82Å
259	Q	97.1	Very high	97.1	Very high	119 Å²	119	20.6 Å²	20.6	56%	0.556	12%	0.117	S	C	*	.	H	α-helix	trans	-62.3	-34.5	175	-71.4	178.3	-11.3	0	0	112.8	I255 I256 G261	I255-Q259 WeakPolarHBondContact O-CG 3.5Å; I255-Q259 PolarHBondContact O-N 2.82Å; I256-Q259 WeakPolarHBondContact O-CB 2.97Å; I256-Q259 PolarHBondContact O-N 2.84Å; I256-Q259 VanDerWaalsContact O-N 3.16Å; Q259-G261 PolarHBondContact O-N 3.31Å
260	A	98.2	Very high	97.2	Very high	7 Å²	7	21 Å²	21	6%	0.058	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	4.7	173.3	0	0	0	0	0	114.4	I230 L231 A234 F238 I256 A257 A258	I230-A260 HydrophobicContact CG2-CB 3.57Å; L231-A260 HydrophobicContact CD2-CB 4.28Å; A234-A260 HydrophobicContact CB-CB 3.84Å; F238-A260 HydrophobicContact CB-CB 3.79Å; F238-A260 HydrophobicContact CG-CB 4.24Å; I256-A260 PolarHBondContact O-N 3.16Å; A257-A260 PolarHBondContact O-N 3.44Å; A258-A260 VanDerWaalsContact C-N 3.29Å; A258-A260 PolarHBondContact O-N 2.94Å
261	G	98.1	Very high	97.2	Very high	22 Å²	22	19.6 Å²	19.6	23%	0.227	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	16.9	173.9	0	0	0	0	0	114.4	K239 H240 A258 Q259	K239-G261 WeakPolarHBondContact CA-O 3.42Å; H240-G261 PolarHBondContact N-O 3.04Å; A258-G261 PolarHBondContact O-N 3.32Å; Q259-G261 PolarHBondContact O-N 3.31Å
262	A	98.6	Very high	96.9	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.017	14%	0.135	C	C	.	.			trans	-48.7	140.4	169.8	0	0	0	0	0	111.7	F238 K241 I243 A257 V265 R290	F238-A262 VanDerWaalsContact O-CA 3.24Å; F238-A262 WeakPolarHBondContact O-CA 3.43Å; F238-A262 PolarHBondContact O-N 3.22Å; K241-A262 CarbonylContact O-C 3.5Å; K241-A262 WeakPolarHBondContact O-CA 3.28Å; I243-A262 HydrophobicContact CD1-CB 4.45Å; I243-A262 HydrophobicContact CG1-CB 3.57Å; A257-A262 WeakPolarHBondContact O-CB 3.19Å; A257-A262 PolarHBondContact O-N 3.5Å; A262-V265 HydrophobicContact CB-CG2 3.72Å; A262-R290 PolarHBondContact O-NH2 3.15Å
263	S	98	Very high	96.6	Very high	59 Å²	59	27.3 Å²	27.3	41%	0.413	15%	0.148	S	C	.	.	S	Bend	trans	-68	-42.2	176.5	55.6	0	0	0	0	110.7	H240 K241 I242	H240-S263 PolarHBondContact O-OG 3.37Å; K241-S263 PolarHBondContact O-N 3.13Å; K241-S263 PolarHBondContact O-OG 2.92Å; I242-S263 WeakPolarHBondContact CG1-OG 3.16Å; I242-S263 PolarHBondContact N-OG 3.49Å
264	H	98.7	Very high	96.4	Very high	37 Å²	37	26.9 Å²	26.9	17%	0.171	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	149.3	170	-154.9	84.4	0	0	0	109.9	I242 I243 Y266 E289 T292	I242-H264 WeakPolarHBondContact CA-O 3.3Å; I243-H264 PolarHBondContact N-O 2.84Å; H264-Y266 HydrophobicContact CB-CE2 4.42Å; H264-Y266 AromaticContact CD2-CE1 3.53Å; H264-Y266 AromaticContact CD2-CE2 3.67Å; H264-Y266 AromaticContact CD2-CZ 3.35Å; H264-Y266 AromaticContact NE2-CE1 3.78Å; H264-Y266 AromaticContact NE2-CZ 3.98Å; H264-E289 PolarHBondContact CE1-O 3.42Å; H264-T292 PolarHBondContact NE2-OG1 3.42Å
265	V	98.8	Very high	96.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.8	174.8	-172.9	0	0	0	0	109.7	I243 A257 A258 A262 R290 V291 T292	I243-V265 HydrophobicContact CB-CG1 4.2Å; I243-V265 HydrophobicContact CB-CG2 4.18Å; I243-V265 HydrophobicContact CG1-CG2 4.34Å; I243-V265 HydrophobicContact CG2-CG1 4.5Å; I243-V265 WeakPolarHBondContact O-CA 3.41Å; A257-V265 HydrophobicContact CB-CG2 4.01Å; A258-V265 HydrophobicContact CB-CG2 4.15Å; A262-V265 HydrophobicContact CB-CG2 3.72Å; V265-R290 PolarHBondContact N-O 3.32Å; V265-V291 HydrophobicContact CB-CG1 4.25Å; V265-V291 HydrophobicContact CB-CG2 4.18Å; V265-V291 HydrophobicContact CG1-CG1 4.49Å; V265-V291 CarbonylContact O-C 3.46Å; V265-V291 VanDerWaalsContact O-CA 3.3Å; V265-V291 WeakPolarHBondContact O-CA 3.3Å; V265-T292 PolarHBondContact O-N 3.04Å
266	Y	98.6	Very high	95.9	Very high	27 Å²	27	31.7 Å²	31.7	11%	0.106	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.7	170	-63.4	-76	0	0	0	108.5	I242 I243 L244 D245 H264 T292 I294 P304 V305	I242-Y266 HydrophobicContact CG2-CD2 3.93Å; I242-Y266 HydrophobicContact CG2-CE2 3.79Å; I243-Y266 PolarHBondContact O-N 3.4Å; L244-Y266 CarbonylContact C-O 3.39Å; L244-Y266 VanDerWaalsContact CA-O 3.27Å; L244-Y266 WeakPolarHBondContact CA-O 3.15Å; D245-Y266 PolarHBondContact N-O 2.85Å; H264-Y266 HydrophobicContact CB-CE2 4.42Å; H264-Y266 AromaticContact CD2-CE1 3.53Å; H264-Y266 AromaticContact CD2-CE2 3.67Å; H264-Y266 AromaticContact CD2-CZ 3.35Å; H264-Y266 AromaticContact NE2-CE1 3.78Å; H264-Y266 AromaticContact NE2-CZ 3.98Å; Y266-T292 WeakPolarHBondContact CA-O 3.4Å; Y266-T292 HydrophobicContact CD1-CG2 4.45Å; Y266-I294 HydrophobicContact CD1-CD1 4.29Å; Y266-P304 HydrophobicContact CD1-CG 3.81Å; Y266-P304 HydrophobicContact CE1-CG 3.19Å; Y266-V305 HydrophobicContact CD2-CG2 4.05Å; Y266-V305 HydrophobicContact CE2-CB 4.39Å; Y266-V305 HydrophobicContact CE2-CG1 3.69Å; Y266-V305 HydrophobicContact CE2-CG2 3.75Å; Y266-V305 WeakPolarHBondContact OH-CG1 3.31Å
267	G	98.2	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.9	170.8	0	0	0	0	0	110.8	D245 T292 F293 I294	D245-G267 CarbonylContact O-C 3.6Å; D245-G267 WeakPolarHBondContact O-CA 3.38Å; G267-T292 PolarHBondContact N-O 3.31Å; G267-F293 CarbonylContact O-C 3.56Å; G267-F293 WeakPolarHBondContact O-CA 3.27Å; G267-I294 PolarHBondContact O-N 3.15Å
268	V	98.1	Very high	95.5	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.3	176.3	-179.5	0	0	0	0	108.9	L244 D245 G247 S248 I294 G296 A298 V301 L303 M332	L244-V268 HydrophobicContact CD1-CG2 3.96Å; D245-V268 PolarHBondContact O-N 3.37Å; G247-V268 CarbonylContact C-O 3.48Å; G247-V268 WeakPolarHBondContact CA-O 3.45Å; G247-V268 PolarHBondContact N-O 2.95Å; S248-V268 PolarHBondContact N-O 3.03Å; V268-I294 WeakPolarHBondContact CA-O 3.36Å; V268-G296 VanDerWaalsContact CG1-O 3.3Å; V268-G296 WeakPolarHBondContact CG1-O 3.5Å; V268-A298 HydrophobicContact CG1-CB 4.48Å; V268-V301 HydrophobicContact CG1-CG1 4.04Å; V268-V301 HydrophobicContact CG1-CG2 3.78Å; V268-V301 HydrophobicContact CG2-CG2 3.88Å; V268-L303 HydrophobicContact CG2-CD2 4.13Å; V268-M332 HydrophobicContact CG2-CE 4.23Å
269	E	95.5	Very high	95.2	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.056	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.5	178.4	178.6	50.7	-114.2	0	0	109.7	G249 A271 I274 Y275 I294 H295 G296	G249-E269 WeakPolarHBondContact CA-OE2 3.47Å; G249-E269 PolarHBondContact N-OE2 3.08Å; E269-A271 WeakPolarHBondContact OE1-CB 3.43Å; E269-A271 PolarHBondContact OE1-N 3.34Å; E269-I274 HydrophobicContact CG-CB 4.44Å; E269-I274 HydrophobicContact CG-CG2 4.18Å; E269-Y275 HydrophobicContact CB-CD2 4.4Å; E269-I294 PolarHBondContact N-O 3.04Å; E269-I294 VanDerWaalsContact N-O 3.16Å; E269-H295 CarbonylContact O-C 3.57Å; E269-H295 VanDerWaalsContact O-CA 3.31Å; E269-H295 WeakPolarHBondContact O-CA 3.38Å; E269-H295 PolarHBondContact O-CD2 3.37Å; E269-G296 CarbonylContact C-O 3.6Å; E269-G296 PolarHBondContact O-N 3.26Å
270	A	93.5	Very high	95.1	Very high	17 Å²	17	35.5 Å²	35.5	14%	0.14	20%	0.202	C	C	.	.			trans	-104	-26.5	-175.8	0	0	0	0	0	113	F204 D272 H295 Q297	F204-A270 HydrophobicContact CD1-CB 3.57Å; F204-A270 HydrophobicContact CE1-CB 3.32Å; F204-A270 HydrophobicContact CE2-CB 4.44Å; F204-A270 HydrophobicContact CG-CB 4.26Å; F204-A270 HydrophobicContact CZ-CB 3.8Å; A270-D272 PolarHBondContact O-N 2.75Å; A270-H295 PolarHBondContact O-NE2 3.06Å; A270-Q297 HydrophobicContact CB-CG 4.43Å
271	A	91.3	Very high	94.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	22%	0.215	C	C	.	.			trans	-73.7	121.8	178.1	0	0	0	0	0	111.2	E269 E273 I274 Y275	E269-A271 WeakPolarHBondContact OE1-CB 3.43Å; E269-A271 PolarHBondContact OE1-N 3.34Å; A271-E273 PolarHBondContact O-N 2.89Å; A271-I274 HydrophobicContact CB-CB 4.27Å; A271-I274 HydrophobicContact CB-CG1 4.37Å; A271-I274 PolarHBondContact O-N 3.39Å; A271-Y275 VanDerWaalsContact O-CB 3.3Å; A271-Y275 WeakPolarHBondContact O-CB 3.27Å; A271-Y275 PolarHBondContact O-N 3.48Å
272	D	89.5	Confident	94.8	Very high	98 Å²	98	36.7 Å²	36.7	52%	0.524	20%	0.204	S	C	.	.	H	α-helix	trans	-58.9	-49	-172	-67.1	-16.6	0	0	0	112.8	A270 I274 Y275 A276 H295	A270-D272 PolarHBondContact O-N 2.75Å; D272-I274 VanDerWaalsContact C-N 3.34Å; D272-I274 PolarHBondContact O-N 2.64Å; D272-Y275 PolarHBondContact O-N 2.8Å; D272-A276 PolarHBondContact O-N 3.46Å; D272-A276 VanDerWaalsContact O-N 3.09Å; D272-H295 IonicContact OD1-CE1 2.75Å; D272-H295 PolarHBondContact OD1-CE1 2.93Å; D272-H295 IonicContact OD1-NE2 3.69Å; D272-H295 PolarHBondContact OD1-NE2 3.07Å
273	E	89.8	Confident	94.6	Very high	117 Å²	117	42.7 Å²	42.7	55%	0.547	23%	0.226	S	C	.	.	H	α-helix	trans	-66	-38.6	-175.9	-64	79.4	-170.4	0	0	111.8	A271 A277	A271-E273 PolarHBondContact O-N 2.89Å; E273-A277 WeakPolarHBondContact O-CB 3.37Å; E273-A277 PolarHBondContact O-N 2.91Å
274	I	91.1	Very high	94.5	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.051	23%	0.232	C	C	.	.	H	α-helix	trans	-78.3	-37	-178.3	-61.6	-61.4	0	0	0	111.5	Y207 H213 G249 E269 A271 D272 A276 A277 S278	Y207-I274 WeakPolarHBondContact O-CG1 3.27Å; H213-I274 WeakPolarHBondContact CD2-CD1 3.23Å; H213-I274 WeakPolarHBondContact NE2-CD1 3.16Å; H213-I274 VanDerWaalsContact NE2-CG1 3.32Å; H213-I274 WeakPolarHBondContact NE2-CG1 3.37Å; G249-I274 VanDerWaalsContact O-CG2 3.31Å; G249-I274 WeakPolarHBondContact O-CG2 3.45Å; E269-I274 HydrophobicContact CG-CB 4.44Å; E269-I274 HydrophobicContact CG-CG2 4.18Å; A271-I274 HydrophobicContact CB-CB 4.27Å; A271-I274 HydrophobicContact CB-CG1 4.37Å; A271-I274 PolarHBondContact O-N 3.39Å; D272-I274 VanDerWaalsContact C-N 3.34Å; D272-I274 PolarHBondContact O-N 2.64Å; I274-A276 VanDerWaalsContact C-N 3.3Å; I274-A276 PolarHBondContact O-N 3.08Å; I274-A277 PolarHBondContact O-N 3.41Å; I274-S278 VanDerWaalsContact O-CB 3.31Å; I274-S278 WeakPolarHBondContact O-CB 3.41Å; I274-S278 PolarHBondContact O-N 3.15Å; I274-S278 PolarHBondContact O-OG 3.13Å; I274-S278 VanDerWaalsContact O-OG 3.08Å
275	Y	93.8	Very high	94.4	Very high	59 Å²	59	46.8 Å²	46.8	23%	0.231	25%	0.248	C	C	.	.	H	α-helix	trans	-56.8	-46.4	170.5	175.9	-98.7	0	0	0	110.9	E269 A271 D272 S278 H279 F293 H295	E269-Y275 HydrophobicContact CB-CD2 4.4Å; A271-Y275 VanDerWaalsContact O-CB 3.3Å; A271-Y275 WeakPolarHBondContact O-CB 3.27Å; A271-Y275 PolarHBondContact O-N 3.48Å; D272-Y275 PolarHBondContact O-N 2.8Å; Y275-S278 PolarHBondContact O-OG 3.1Å; Y275-H279 PolarHBondContact O-N 3.35Å; Y275-H279 VanDerWaalsContact O-N 3.16Å; Y275-F293 HydrophobicContact CD2-CB 4.17Å; Y275-F293 HydrophobicContact CE2-CB 3.66Å; Y275-F293 PolarHBondContact OH-O 3.28Å; Y275-H295 HydrophobicContact CD1-CB 3.94Å; Y275-H295 HydrophobicContact CD2-CB 3.79Å; Y275-H295 HydrophobicContact CE1-CB 3.82Å; Y275-H295 HydrophobicContact CE2-CB 3.65Å; Y275-H295 HydrophobicContact CG-CB 3.93Å; Y275-H295 AromaticContact CG-CD2 3.94Å
276	A	93	Very high	94.3	Very high	61 Å²	61	53.6 Å²	53.6	50%	0.504	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-45.3	176.4	0	0	0	0	0	112.3	D272 I274 H279 E280	D272-A276 PolarHBondContact O-N 3.46Å; D272-A276 VanDerWaalsContact O-N 3.09Å; I274-A276 VanDerWaalsContact C-N 3.3Å; I274-A276 PolarHBondContact O-N 3.08Å; A276-H279 PolarHBondContact O-N 3.45Å; A276-E280 PolarHBondContact O-N 2.97Å
277	A	93	Very high	94.2	Very high	50 Å²	50	53.6 Å²	53.6	41%	0.413	29%	0.286	S	S	.	.	H	α-helix	trans	-65.1	-39.1	179.6	0	0	0	0	0	113.2	E273 I274 E280 T281	E273-A277 WeakPolarHBondContact O-CB 3.37Å; E273-A277 PolarHBondContact O-N 2.91Å; I274-A277 PolarHBondContact O-N 3.41Å; A277-E280 PolarHBondContact O-N 3.32Å; A277-T281 PolarHBondContact O-N 2.79Å; A277-T281 PolarHBondContact O-OG1 3.44Å
278	S	94.6	Very high	94.1	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.8	-37.2	178.1	66.3	0	0	0	0	111.6	G249 S250 I274 Y275 T281 L282 F293	G249-S278 WeakPolarHBondContact O-CB 3.44Å; S250-S278 WeakPolarHBondContact O-CB 3.37Å; I274-S278 VanDerWaalsContact O-CB 3.31Å; I274-S278 WeakPolarHBondContact O-CB 3.41Å; I274-S278 PolarHBondContact O-N 3.15Å; I274-S278 PolarHBondContact O-OG 3.13Å; I274-S278 VanDerWaalsContact O-OG 3.08Å; Y275-S278 PolarHBondContact O-OG 3.1Å; S278-T281 VanDerWaalsContact O-CB 3.31Å; S278-T281 WeakPolarHBondContact O-CB 3.39Å; S278-T281 PolarHBondContact O-N 3.11Å; S278-L282 PolarHBondContact O-N 3Å; S278-F293 VanDerWaalsContact CB-CE2 3.49Å; S278-F293 VanDerWaalsContact OG-CD2 3.28Å; S278-F293 WeakPolarHBondContact OG-CD2 3.35Å
279	H	92.6	Very high	94	Very high	83 Å²	83	65.6 Å²	65.6	38%	0.384	34%	0.344	S	S	.	.	H	α-helix	trans	-64.3	-41.2	175	-168.4	-80.4	0	0	0	112.3	Y275 A276 T281 L282 R283	Y275-H279 PolarHBondContact O-N 3.35Å; Y275-H279 VanDerWaalsContact O-N 3.16Å; A276-H279 PolarHBondContact O-N 3.45Å; H279-T281 VanDerWaalsContact C-N 3.3Å; H279-T281 PolarHBondContact O-N 2.9Å; H279-L282 PolarHBondContact O-N 2.81Å; H279-R283 PolarHBondContact O-N 3.07Å; H279-R283 VanDerWaalsContact O-N 3.09Å
280	E	93.8	Very high	94.1	Very high	82 Å²	82	69.3 Å²	69.3	38%	0.383	36%	0.358	S	S	.	.	H	α-helix	trans	-61.7	-40.5	173	177.9	59.3	-168.2	0	0	111.6	A276 A277 L282 R283 V284	A276-E280 PolarHBondContact O-N 2.97Å; A277-E280 PolarHBondContact O-N 3.32Å; E280-L282 VanDerWaalsContact C-N 3.34Å; E280-L282 PolarHBondContact O-N 3.14Å; E280-R283 WeakPolarHBondContact O-CB 3.45Å; E280-R283 PolarHBondContact O-N 3.35Å; E280-R283 VanDerWaalsContact O-N 3.14Å; E280-R283 IonicContact OE1-CZ 3.33Å; E280-R283 IonicContact OE1-NE 2.76Å; E280-R283 IonicContact OE1-NH2 3.1Å; E280-R283 PolarHBondContact OE1-NH2 3.3Å; E280-R283 IonicContact OE2-CZ 3.57Å; E280-R283 IonicContact OE2-NE 2.6Å; E280-R283 PolarHBondContact OE2-NE 2.79Å; E280-R283 IonicContact OE2-NH2 3.47Å; E280-R283 PolarHBondContact OE2-NH2 2.94Å; E280-R283 VanDerWaalsContact OE2-NH2 3.1Å; E280-V284 WeakPolarHBondContact O-CG2 3.47Å; E280-V284 PolarHBondContact O-N 3.05Å; E280-V284 WeakPolarHBondContact OE1-CG2 3.38Å
281	T	93.9	Very high	94.4	Very high	52 Å²	52	68.6 Å²	68.6	32%	0.319	35%	0.351	S	S	.	.	H	α-helix	trans	-58.3	-43.9	174.9	-58.1	0	0	0	0	111.6	I255 A277 S278 H279 R283 N285	I255-T281 HydrophobicContact CD1-CG2 3.84Å; A277-T281 PolarHBondContact O-N 2.79Å; A277-T281 PolarHBondContact O-OG1 3.44Å; S278-T281 VanDerWaalsContact O-CB 3.31Å; S278-T281 WeakPolarHBondContact O-CB 3.39Å; S278-T281 PolarHBondContact O-N 3.11Å; H279-T281 VanDerWaalsContact C-N 3.3Å; H279-T281 PolarHBondContact O-N 2.9Å; T281-R283 PolarHBondContact O-N 3.34Å; T281-N285 WeakPolarHBondContact O-CB 3.39Å; T281-N285 PolarHBondContact O-N 3.26Å; T281-N285 VanDerWaalsContact O-N 3.15Å; T281-N285 PolarHBondContact O-ND2 3.02Å
282	L	96.2	Very high	94.7	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-63.9	-40.1	175.5	-65	-176.8	0	0	0	112.6	I255 S278 H279 E280 N285 N286 L287 L288 V291 F293	I255-L282 HydrophobicContact CD1-CD2 4.43Å; I255-L282 HydrophobicContact CG1-CD2 4.02Å; S278-L282 PolarHBondContact O-N 3Å; H279-L282 PolarHBondContact O-N 2.81Å; E280-L282 VanDerWaalsContact C-N 3.34Å; E280-L282 PolarHBondContact O-N 3.14Å; L282-N285 PolarHBondContact O-N 3.16Å; L282-N286 PolarHBondContact O-N 3.19Å; L282-N286 VanDerWaalsContact O-N 3.09Å; L282-L287 HydrophobicContact CB-CB 4.48Å; L282-L287 HydrophobicContact CD2-CB 3.9Å; L282-L287 HydrophobicContact CD2-CD1 4.5Å; L282-L287 PolarHBondContact O-N 3.12Å; L282-L288 HydrophobicContact CB-CD2 3.75Å; L282-L288 HydrophobicContact CB-CG 4.26Å; L282-L288 HydrophobicContact CD1-CD2 4.38Å; L282-V291 HydrophobicContact CD1-CB 3.81Å; L282-V291 HydrophobicContact CD1-CG1 3.77Å; L282-V291 HydrophobicContact CD2-CB 3.78Å; L282-V291 HydrophobicContact CD2-CG1 3.92Å; L282-V291 HydrophobicContact CD2-CG2 4.15Å; L282-V291 HydrophobicContact CG-CB 4.45Å; L282-V291 HydrophobicContact CG-CG1 4.49Å; L282-F293 HydrophobicContact CD1-CD2 3.51Å; L282-F293 HydrophobicContact CD1-CE2 3.35Å; L282-F293 HydrophobicContact CD1-CG 4.23Å; L282-F293 HydrophobicContact CD1-CZ 3.95Å; L282-F293 HydrophobicContact CD2-CE2 3.94Å; L282-F293 HydrophobicContact CD2-CZ 4.08Å; L282-F293 HydrophobicContact CG-CD2 4.06Å; L282-F293 HydrophobicContact CG-CE2 3.47Å; L282-F293 VanDerWaalsContact CG-CE2 3.47Å; L282-F293 HydrophobicContact CG-CZ 4.11Å
283	R	95.4	Very high	95.1	Very high	128 Å²	128	66.9 Å²	66.9	48%	0.483	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-49.5	-179.2	-171.4	-174.5	69.5	76.6	-5.2	111.4	H279 E280 T281 N285 N286 L288	H279-R283 PolarHBondContact O-N 3.07Å; H279-R283 VanDerWaalsContact O-N 3.09Å; E280-R283 WeakPolarHBondContact O-CB 3.45Å; E280-R283 PolarHBondContact O-N 3.35Å; E280-R283 VanDerWaalsContact O-N 3.14Å; E280-R283 IonicContact OE1-CZ 3.33Å; E280-R283 IonicContact OE1-NE 2.76Å; E280-R283 IonicContact OE1-NH2 3.1Å; E280-R283 PolarHBondContact OE1-NH2 3.3Å; E280-R283 IonicContact OE2-CZ 3.57Å; E280-R283 IonicContact OE2-NE 2.6Å; E280-R283 PolarHBondContact OE2-NE 2.79Å; E280-R283 IonicContact OE2-NH2 3.47Å; E280-R283 PolarHBondContact OE2-NH2 2.94Å; E280-R283 VanDerWaalsContact OE2-NH2 3.1Å; T281-R283 PolarHBondContact O-N 3.34Å; R283-N285 VanDerWaalsContact C-N 3.28Å; R283-N285 PolarHBondContact O-N 2.96Å; R283-N286 PolarHBondContact O-N 2.9Å; R283-L288 HydrophobicContact CB-CD1 4.01Å; R283-L288 HydrophobicContact CB-CG 4.46Å; R283-L288 HydrophobicContact CG-CD1 4.02Å
284	V	96.1	Very high	95.5	Very high	89 Å²	89	62.8 Å²	62.8	54%	0.539	33%	0.325	S	S	.	.	H	α-helix	trans	-65.8	-33	-179.4	174.4	0	0	0	0	111.7	E280	E280-V284 WeakPolarHBondContact O-CG2 3.47Å; E280-V284 PolarHBondContact O-N 3.05Å; E280-V284 WeakPolarHBondContact OE1-CG2 3.38Å
285	N	96.1	Very high	95.7	Very high	93 Å²	93	66.3 Å²	66.3	50%	0.497	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	5.7	178.6	-69.5	-81.3	0	0	0	114.1	T281 L282 R283 L287	T281-N285 WeakPolarHBondContact O-CB 3.39Å; T281-N285 PolarHBondContact O-N 3.26Å; T281-N285 VanDerWaalsContact O-N 3.15Å; T281-N285 PolarHBondContact O-ND2 3.02Å; L282-N285 PolarHBondContact O-N 3.16Å; R283-N285 VanDerWaalsContact C-N 3.28Å; R283-N285 PolarHBondContact O-N 2.96Å; N285-L287 VanDerWaalsContact C-N 3.34Å; N285-L287 HydrophobicContact CB-CD1 3.98Å; N285-L287 HydrophobicContact CB-CG 4.25Å; N285-L287 PolarHBondContact O-N 3.37Å
286	N	96.3	Very high	95.7	Very high	144 Å²	144	64.5 Å²	64.5	77%	0.77	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	40.6	-179.3	-54.2	-69.1	0	0	0	114.1	L282 R283	L282-N286 PolarHBondContact O-N 3.19Å; L282-N286 VanDerWaalsContact O-N 3.09Å; R283-N286 PolarHBondContact O-N 2.9Å
287	L	97.5	Very high	95.7	Very high	26 Å²	26	63.3 Å²	63.3	14%	0.136	32%	0.324	C	S	.	.			trans	-109	1.6	-176.2	-69.9	172	0	0	0	114.4	I255 L282 N285 E289 R290 V291	I255-L287 HydrophobicContact CB-CD1 4.19Å; I255-L287 HydrophobicContact CD1-CD1 4.33Å; I255-L287 HydrophobicContact CG1-CD1 3.75Å; I255-L287 HydrophobicContact CG2-CD1 3.7Å; L282-L287 HydrophobicContact CB-CB 4.48Å; L282-L287 HydrophobicContact CD2-CB 3.9Å; L282-L287 HydrophobicContact CD2-CD1 4.5Å; L282-L287 PolarHBondContact O-N 3.12Å; N285-L287 VanDerWaalsContact C-N 3.34Å; N285-L287 HydrophobicContact CB-CD1 3.98Å; N285-L287 HydrophobicContact CB-CG 4.25Å; N285-L287 PolarHBondContact O-N 3.37Å; L287-E289 PolarHBondContact O-N 2.78Å; L287-E289 VanDerWaalsContact O-N 3.13Å; L287-R290 PolarHBondContact O-N 3.13Å; L287-V291 HydrophobicContact CB-CG2 4.47Å; L287-V291 PolarHBondContact O-N 2.83Å
288	L	95.7	Very high	95.6	Very high	72 Å²	72	61.5 Å²	61.5	38%	0.377	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.7	-178.6	-69.1	172.8	0	0	0	114.1	L282 R283 R290	L282-L288 HydrophobicContact CB-CD2 3.75Å; L282-L288 HydrophobicContact CB-CG 4.26Å; L282-L288 HydrophobicContact CD1-CD2 4.38Å; R283-L288 HydrophobicContact CB-CD1 4.01Å; R283-L288 HydrophobicContact CB-CG 4.46Å; R283-L288 HydrophobicContact CG-CD1 4.02Å; L288-R290 VanDerWaalsContact C-N 3.32Å
289	E	96.6	Very high	95.2	Very high	182 Å²	182	65 Å²	65	85%	0.85	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.6	176.8	-65.7	-171.3	169.9	0	0	113.3	H264 L287	H264-E289 PolarHBondContact CE1-O 3.42Å; L287-E289 PolarHBondContact O-N 2.78Å; L287-E289 VanDerWaalsContact O-N 3.13Å
290	R	97.6	Very high	95.1	Very high	91 Å²	91	63.9 Å²	63.9	34%	0.343	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-21	-174.1	-59.5	-166.8	71	-156	-5.9	113.7	A258 A262 V265 L287 L288	A258-R290 HydrophobicContact CB-CB 4.44Å; A258-R290 PolarHBondContact O-NH1 2.97Å; A258-R290 PolarHBondContact O-NH2 2.93Å; A262-R290 PolarHBondContact O-NH2 3.15Å; V265-R290 PolarHBondContact N-O 3.32Å; L287-R290 PolarHBondContact O-N 3.13Å; L288-R290 VanDerWaalsContact C-N 3.32Å
291	V	98.4	Very high	95.1	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134	-177.5	-172	0	0	0	0	109.4	A258 V265 L282 L287 F293	A258-V291 HydrophobicContact CB-CG2 3.82Å; V265-V291 HydrophobicContact CB-CG1 4.25Å; V265-V291 HydrophobicContact CB-CG2 4.18Å; V265-V291 HydrophobicContact CG1-CG1 4.49Å; V265-V291 CarbonylContact O-C 3.46Å; V265-V291 VanDerWaalsContact O-CA 3.3Å; V265-V291 WeakPolarHBondContact O-CA 3.3Å; L282-V291 HydrophobicContact CD1-CB 3.81Å; L282-V291 HydrophobicContact CD1-CG1 3.77Å; L282-V291 HydrophobicContact CD2-CB 3.78Å; L282-V291 HydrophobicContact CD2-CG1 3.92Å; L282-V291 HydrophobicContact CD2-CG2 4.15Å; L282-V291 HydrophobicContact CG-CB 4.45Å; L282-V291 HydrophobicContact CG-CG1 4.49Å; L287-V291 HydrophobicContact CB-CG2 4.47Å; L287-V291 PolarHBondContact O-N 2.83Å; V291-F293 HydrophobicContact CG1-CD1 4.32Å; V291-F293 HydrophobicContact CG1-CE1 3.75Å; V291-F293 HydrophobicContact CG1-CZ 3.86Å
292	T	98.1	Very high	95.2	Very high	55 Å²	55	65.2 Å²	65.2	34%	0.337	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.3	175.5	-57.1	0	0	0	0	109.9	H264 V265 Y266 G267	H264-T292 PolarHBondContact NE2-OG1 3.42Å; V265-T292 PolarHBondContact O-N 3.04Å; Y266-T292 WeakPolarHBondContact CA-O 3.4Å; Y266-T292 HydrophobicContact CD1-CG2 4.45Å; G267-T292 PolarHBondContact N-O 3.31Å
293	F	98	Very high	95.2	Very high	8 Å²	8	65.9 Å²	65.9	4%	0.035	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.3	172.7	-63.4	-43.6	0	0	0	111.6	G251 G267 Y275 S278 L282 V291	G251-F293 VanDerWaalsContact CA-CZ 3.43Å; G267-F293 CarbonylContact O-C 3.56Å; G267-F293 WeakPolarHBondContact O-CA 3.27Å; Y275-F293 HydrophobicContact CD2-CB 4.17Å; Y275-F293 HydrophobicContact CE2-CB 3.66Å; Y275-F293 PolarHBondContact OH-O 3.28Å; S278-F293 VanDerWaalsContact CB-CE2 3.49Å; S278-F293 VanDerWaalsContact OG-CD2 3.28Å; S278-F293 WeakPolarHBondContact OG-CD2 3.35Å; L282-F293 HydrophobicContact CD1-CD2 3.51Å; L282-F293 HydrophobicContact CD1-CE2 3.35Å; L282-F293 HydrophobicContact CD1-CG 4.23Å; L282-F293 HydrophobicContact CD1-CZ 3.95Å; L282-F293 HydrophobicContact CD2-CE2 3.94Å; L282-F293 HydrophobicContact CD2-CZ 4.08Å; L282-F293 HydrophobicContact CG-CD2 4.06Å; L282-F293 HydrophobicContact CG-CE2 3.47Å; L282-F293 VanDerWaalsContact CG-CE2 3.47Å; L282-F293 HydrophobicContact CG-CZ 4.11Å; V291-F293 HydrophobicContact CG1-CD1 4.32Å; V291-F293 HydrophobicContact CG1-CE1 3.75Å; V291-F293 HydrophobicContact CG1-CZ 3.86Å
294	I	97.6	Very high	95.3	Very high	30 Å²	30	64.1 Å²	64.1	15%	0.154	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.4	178.4	-58.9	166.5	0	0	0	107.5	Y266 G267 V268 E269 V301 L303	Y266-I294 HydrophobicContact CD1-CD1 4.29Å; G267-I294 PolarHBondContact O-N 3.15Å; V268-I294 WeakPolarHBondContact CA-O 3.36Å; E269-I294 PolarHBondContact N-O 3.04Å; E269-I294 VanDerWaalsContact N-O 3.16Å; I294-V301 HydrophobicContact CG2-CB 4.08Å; I294-V301 HydrophobicContact CG2-CG1 3.88Å; I294-L303 HydrophobicContact CD1-CD2 3.45Å; I294-L303 VanDerWaalsContact CD1-CD2 3.45Å
295	H	96.3	Very high	95.3	Very high	85 Å²	85	61.2 Å²	61.2	39%	0.394	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129.3	-179.8	-176.4	-145.1	0	0	0	111	E269 A270 D272 Y275	E269-H295 CarbonylContact O-C 3.57Å; E269-H295 VanDerWaalsContact O-CA 3.31Å; E269-H295 WeakPolarHBondContact O-CA 3.38Å; E269-H295 PolarHBondContact O-CD2 3.37Å; A270-H295 PolarHBondContact O-NE2 3.06Å; D272-H295 IonicContact OD1-CE1 2.75Å; D272-H295 PolarHBondContact OD1-CE1 2.93Å; D272-H295 IonicContact OD1-NE2 3.69Å; D272-H295 PolarHBondContact OD1-NE2 3.07Å; Y275-H295 HydrophobicContact CD1-CB 3.94Å; Y275-H295 HydrophobicContact CD2-CB 3.79Å; Y275-H295 HydrophobicContact CE1-CB 3.82Å; Y275-H295 HydrophobicContact CE2-CB 3.65Å; Y275-H295 HydrophobicContact CG-CB 3.93Å; Y275-H295 AromaticContact CG-CD2 3.94Å
296	G	93.9	Very high	95.3	Very high	20 Å²	20	65.8 Å²	65.8	21%	0.206	34%	0.337	C	S	.	.	S	Bend	trans	139.6	173.2	172.3	0	0	0	0	0	113.7	V268 E269	V268-G296 VanDerWaalsContact CG1-O 3.3Å; V268-G296 WeakPolarHBondContact CG1-O 3.5Å; E269-G296 CarbonylContact C-O 3.6Å; E269-G296 PolarHBondContact O-N 3.26Å
297	Q	91.9	Very high	95.4	Very high	37 Å²	37	63.4 Å²	63.4	17%	0.173	32%	0.319	C	S	.	.			trans	-64.8	136.6	174.6	-67.9	177.4	-41.6	0	0	110.8	D200 F204 A270 E299 S300 V301	D200-Q297 PolarHBondContact OD2-NE2 3.29Å; F204-Q297 HydrophobicContact CE2-CG 4.13Å; F204-Q297 HydrophobicContact CZ-CG 4.08Å; A270-Q297 HydrophobicContact CB-CG 4.43Å; Q297-E299 PolarHBondContact O-N 3.17Å; Q297-E299 VanDerWaalsContact O-N 3.13Å; Q297-S300 PolarHBondContact O-N 2.65Å; Q297-V301 WeakPolarHBondContact O-CG1 3.45Å; Q297-V301 PolarHBondContact O-N 2.88Å; Q297-V301 VanDerWaalsContact O-N 3.15Å
298	A	91.1	Very high	95.5	Very high	11 Å²	11	62.1 Å²	62.1	9%	0.091	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-42.4	-179.1	0	0	0	0	0	112.6	V246 V268 S300 V301 M332	V246-A298 HydrophobicContact CG1-CB 3.77Å; V268-A298 HydrophobicContact CG1-CB 4.48Å; A298-S300 VanDerWaalsContact C-N 3.26Å; A298-S300 PolarHBondContact O-N 2.71Å; A298-V301 WeakPolarHBondContact O-CG2 3.4Å; A298-M332 HydrophobicContact CB-CG 4Å
299	E	86.9	Confident	95.6	Very high	74 Å²	74	60.8 Å²	60.8	35%	0.346	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-28	-178.9	-64.5	88.3	163.2	0	0	114	Q297 S328 K331	Q297-E299 PolarHBondContact O-N 3.17Å; Q297-E299 VanDerWaalsContact O-N 3.13Å; E299-S328 WeakPolarHBondContact OE1-CA 3.36Å; E299-S328 WeakPolarHBondContact OE1-CB 3.2Å; E299-S328 PolarHBondContact OE1-OG 3.48Å; E299-K331 HydrophobicContact CG-CD 3.66Å
300	S	90.7	Very high	95.7	Very high	59 Å²	59	52.2 Å²	52.2	41%	0.413	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-18.8	-169.2	-58.2	0	0	0	0	113.1	Q297 A298	Q297-S300 PolarHBondContact O-N 2.65Å; A298-S300 VanDerWaalsContact C-N 3.26Å; A298-S300 PolarHBondContact O-N 2.71Å
301	V	93.9	Very high	95.7	Very high	10 Å²	10	47.9 Å²	47.9	6%	0.061	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-73.5	147	-176.3	-67	0	0	0	0	113.7	V268 I294 Q297 A298 M332 K335 Y336	V268-V301 HydrophobicContact CG1-CG1 4.04Å; V268-V301 HydrophobicContact CG1-CG2 3.78Å; V268-V301 HydrophobicContact CG2-CG2 3.88Å; I294-V301 HydrophobicContact CG2-CB 4.08Å; I294-V301 HydrophobicContact CG2-CG1 3.88Å; Q297-V301 WeakPolarHBondContact O-CG1 3.45Å; Q297-V301 PolarHBondContact O-N 2.88Å; Q297-V301 VanDerWaalsContact O-N 3.15Å; A298-V301 WeakPolarHBondContact O-CG2 3.4Å; V301-M332 HydrophobicContact CG2-CE 3.94Å; V301-K335 PolarHBondContact O-NZ 3.06Å; V301-Y336 PolarHBondContact O-OH 3.43Å
302	E	95.8	Very high	95.7	Very high	152 Å²	152	47.9 Å²	47.9	71%	0.71	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-102.8	118.1	168.4	-66.3	-162.3	162.8	0	0	110.6	Y336	E302-Y336 VanDerWaalsContact CA-OH 3.31Å; E302-Y336 WeakPolarHBondContact CA-OH 2.87Å
303	L	96.4	Very high	95.7	Very high	16 Å²	16	45.3 Å²	45.3	8%	0.084	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-76.8	145.1	175.1	-60.1	-174.7	0	0	0	110.2	L244 V268 I294 V305 V308 M332 Y336	L244-L303 HydrophobicContact CD1-CD1 3.85Å; L244-L303 HydrophobicContact CD1-CD2 3.94Å; L244-L303 HydrophobicContact CD2-CD1 4.02Å; L244-L303 HydrophobicContact CG-CD1 4.45Å; V268-L303 HydrophobicContact CG2-CD2 4.13Å; I294-L303 HydrophobicContact CD1-CD2 3.45Å; I294-L303 VanDerWaalsContact CD1-CD2 3.45Å; L303-V305 HydrophobicContact CB-CG2 4.27Å; L303-V305 PolarHBondContact O-N 3.43Å; L303-V305 VanDerWaalsContact O-N 3.07Å; L303-V308 HydrophobicContact CD1-CG1 4.25Å; L303-M332 HydrophobicContact CD1-CE 4.26Å; L303-M332 HydrophobicContact CD2-CE 4.25Å; L303-M332 HydrophobicContact CG-CE 4.29Å; L303-Y336 HydrophobicContact CB-CD1 4.11Å; L303-Y336 HydrophobicContact CB-CE1 3.77Å; L303-Y336 HydrophobicContact CD1-CD1 3.78Å; L303-Y336 HydrophobicContact CD1-CD2 3.59Å; L303-Y336 HydrophobicContact CD1-CE1 4.13Å; L303-Y336 HydrophobicContact CD1-CE2 3.93Å; L303-Y336 HydrophobicContact CD1-CG 3.49Å; L303-Y336 VanDerWaalsContact CD1-CG 3.49Å; L303-Y336 HydrophobicContact CG-CD1 4.08Å; L303-Y336 HydrophobicContact CG-CD2 3.96Å; L303-Y336 HydrophobicContact CG-CE1 3.89Å; L303-Y336 HydrophobicContact CG-CE2 3.73Å; L303-Y336 HydrophobicContact CG-CG 4.1Å; L303-Y336 PolarHBondContact N-OH 2.98Å; L303-Y336 VanDerWaalsContact N-OH 3.14Å
304	P	96	Very high	95.5	Very high	91 Å²	91	46.3 Å²	46.3	59%	0.591	24%	0.239	S	C	*	.	S	Bend	trans	-71.5	-1.1	176.4	31.5	-37	0	0	0	113.1	Y266	Y266-P304 HydrophobicContact CD1-CG 3.81Å; Y266-P304 HydrophobicContact CE1-CG 3.19Å
305	V	96.8	Very high	95.4	Very high	27 Å²	27	45.1 Å²	45.1	16%	0.164	23%	0.232	C	C	.	.	S	Bend	trans	-121.4	147.5	176.8	-66.1	0	0	0	0	110.4	I242 Y266 L303 V308	I242-V305 HydrophobicContact CG2-CG2 4.37Å; Y266-V305 HydrophobicContact CD2-CG2 4.05Å; Y266-V305 HydrophobicContact CE2-CB 4.39Å; Y266-V305 HydrophobicContact CE2-CG1 3.69Å; Y266-V305 HydrophobicContact CE2-CG2 3.75Å; Y266-V305 WeakPolarHBondContact OH-CG1 3.31Å; L303-V305 HydrophobicContact CB-CG2 4.27Å; L303-V305 PolarHBondContact O-N 3.43Å; L303-V305 VanDerWaalsContact O-N 3.07Å; V305-V308 HydrophobicContact CG2-CG1 3.88Å
306	K	96.8	Very high	95.3	Very high	189 Å²	189	41.2 Å²	41.2	82%	0.822	21%	0.214	S	C	*	.	S	Bend	trans	-71.5	-36.8	178.6	-67.7	-173.4	178.8	-178.4	0	112.7
307	K	98	Very high	95.3	Very high	94 Å²	94	40.3 Å²	40.3	41%	0.409	21%	0.205	S	C	.	.			trans	-144.8	149.7	-175.7	-68.8	-61.1	-173.3	177.9	0	111.5	K335 Y336 L337	K307-K335 PolarHBondContact NZ-O 3.37Å; K307-Y336 CarbonylContact C-O 3.55Å; K307-Y336 WeakPolarHBondContact CA-O 3.36Å; K307-Y336 WeakPolarHBondContact CD-O 3.48Å; K307-L337 VanDerWaalsContact CD-O 3.31Å; K307-L337 WeakPolarHBondContact CD-O 3.05Å; K307-L337 WeakPolarHBondContact CE-O 3.18Å; K307-L337 PolarHBondContact NZ-O 2.97Å
308	V	98.5	Very high	95.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	154.3	173	-57.4	0	0	0	0	109.6	I242 L244 L303 V305 I311 Y336 L337 S338	I242-V308 HydrophobicContact CG2-CB 4.3Å; I242-V308 HydrophobicContact CG2-CG1 3.88Å; L244-V308 HydrophobicContact CB-CB 4.3Å; L244-V308 HydrophobicContact CB-CG1 4.12Å; L244-V308 HydrophobicContact CB-CG2 3.9Å; L303-V308 HydrophobicContact CD1-CG1 4.25Å; V305-V308 HydrophobicContact CG2-CG1 3.88Å; V308-I311 HydrophobicContact CG2-CD1 4.43Å; V308-I311 HydrophobicContact CG2-CG1 3.9Å; V308-Y336 PolarHBondContact N-O 2.96Å; V308-L337 HydrophobicContact CG2-CD1 4.46Å; V308-S338 VanDerWaalsContact O-CB 3.3Å; V308-S338 WeakPolarHBondContact O-CB 3.24Å; V308-S338 PolarHBondContact O-N 3.39Å; V308-S338 PolarHBondContact O-OG 3.01Å
309	D	98.5	Very high	95.7	Very high	44 Å²	44	41.2 Å²	41.2	24%	0.235	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-34	-178.7	-62.8	-65.1	0	0	0	112.1	K241 I242 G341 H342	K241-D309 WeakPolarHBondContact CA-OD2 3.46Å; K241-D309 HydrophobicContact CB-CB 3.86Å; K241-D309 HydrophobicContact CD-CB 3.92Å; K241-D309 HydrophobicContact CG-CB 4.25Å; I242-D309 PolarHBondContact N-OD2 2.83Å; I242-D309 PolarHBondContact O-N 3.37Å; D309-G341 CarbonylContact O-C 3.57Å; D309-G341 WeakPolarHBondContact O-CA 3.29Å; D309-H342 PolarHBondContact O-N 3.34Å
310	V	98.5	Very high	96.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.1	-179.3	178	0	0	0	0	109.6	Y237 F238 I242 I243 L244 I312 H342 F344	Y237-V310 VanDerWaalsContact O-CG2 3.26Å; Y237-V310 WeakPolarHBondContact O-CG2 3.1Å; F238-V310 HydrophobicContact CE1-CG1 3.99Å; F238-V310 HydrophobicContact CZ-CG1 4.47Å; I242-V310 PolarHBondContact O-N 3.15Å; I243-V310 WeakPolarHBondContact CA-O 3.33Å; I243-V310 HydrophobicContact CD1-CB 3.69Å; I243-V310 HydrophobicContact CD1-CG1 4.48Å; I243-V310 HydrophobicContact CD1-CG2 4.03Å; I243-V310 HydrophobicContact CG2-CB 4.49Å; L244-V310 PolarHBondContact N-O 2.92Å; V310-I312 HydrophobicContact CG1-CG1 4.03Å; V310-H342 CarbonylContact C-O 3.49Å; V310-H342 WeakPolarHBondContact CA-O 3.4Å; V310-F344 HydrophobicContact CG1-CD2 3.5Å; V310-F344 VanDerWaalsContact CG1-CD2 3.5Å; V310-F344 HydrophobicContact CG1-CE2 3.83Å; V310-F344 HydrophobicContact CG2-CE2 4.33Å
311	I	98.5	Very high	96.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.4	165.3	-65.8	174.3	0	0	0	107.6	L244 V246 V308 V329 A333 L337 H342 I343 F344	L244-I311 HydrophobicContact CB-CG1 4.13Å; L244-I311 HydrophobicContact CD2-CD1 4.17Å; L244-I311 HydrophobicContact CD2-CG1 4.01Å; L244-I311 CarbonylContact O-C 3.56Å; L244-I311 WeakPolarHBondContact O-CA 3.22Å; V246-I311 HydrophobicContact CG2-CG2 3.9Å; V308-I311 HydrophobicContact CG2-CD1 4.43Å; V308-I311 HydrophobicContact CG2-CG1 3.9Å; I311-V329 HydrophobicContact CG2-CG1 4.29Å; I311-A333 VanDerWaalsContact CD1-CA 3.41Å; I311-A333 HydrophobicContact CD1-CB 3.71Å; I311-L337 HydrophobicContact CD1-CB 4.04Å; I311-L337 HydrophobicContact CD1-CD1 4.04Å; I311-L337 HydrophobicContact CG1-CD1 3.94Å; I311-H342 PolarHBondContact N-O 2.83Å; I311-I343 HydrophobicContact CB-CG1 4.45Å; I311-I343 HydrophobicContact CB-CG2 4.46Å; I311-I343 HydrophobicContact CG2-CG2 4.4Å; I311-I343 CarbonylContact O-C 3.49Å; I311-I343 WeakPolarHBondContact O-CA 3.38Å; I311-F344 PolarHBondContact O-N 2.96Å
312	I	98.3	Very high	96.3	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135.5	166.4	-52.3	176.8	0	0	0	106.8	Y226 I230 F238 I243 L244 D245 V246 L253 A257 V310 F344	Y226-I312 HydrophobicContact CD1-CG2 3.96Å; Y226-I312 HydrophobicContact CE1-CG2 3.82Å; I230-I312 HydrophobicContact CD1-CD1 3.74Å; I230-I312 HydrophobicContact CG1-CD1 4.1Å; F238-I312 HydrophobicContact CD1-CD1 4.4Å; F238-I312 HydrophobicContact CE1-CD1 3.48Å; F238-I312 VanDerWaalsContact CE1-CD1 3.48Å; F238-I312 HydrophobicContact CE1-CG1 4.06Å; F238-I312 HydrophobicContact CZ-CD1 4.13Å; I243-I312 HydrophobicContact CG2-CD1 3.92Å; I243-I312 HydrophobicContact CG2-CG1 4.03Å; L244-I312 PolarHBondContact O-N 3.28Å; D245-I312 WeakPolarHBondContact CA-O 3.45Å; V246-I312 PolarHBondContact N-O 3.12Å; L253-I312 HydrophobicContact CD1-CG2 4.06Å; A257-I312 HydrophobicContact CB-CD1 4.17Å; V310-I312 HydrophobicContact CG1-CG1 4.03Å; I312-F344 WeakPolarHBondContact CA-O 3.02Å
313	S	97.3	Very high	95.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	14%	0.143	C	C	.	.			trans	-154.1	134.1	171.7	-171.7	0	0	0	0	111	Y226 V246 V329 F344	Y226-S313 PolarHBondContact OH-O 3.39Å; Y226-S313 VanDerWaalsContact OH-O 3.12Å; V246-S313 PolarHBondContact O-OG 2.63Å; S313-V329 VanDerWaalsContact OG-CG2 3.27Å; S313-V329 WeakPolarHBondContact OG-CG2 3.4Å; S313-F344 PolarHBondContact N-O 3.06Å; S313-F344 VanDerWaalsContact N-O 3.13Å
314	E	95	Very high	95.4	Very high	29 Å²	29	29.6 Å²	29.6	14%	0.136	14%	0.144	C	C	.	.			trans	-97.2	90	165.7	-159.1	-70.5	85.4	0	0	106.9	R222 Y226 L253 M316 W495	R222-E314 IonicContact CZ-OE2 3.86Å; R222-E314 IonicContact NH1-OE2 3.03Å; R222-E314 PolarHBondContact NH1-OE2 3.47Å; Y226-E314 HydrophobicContact CE2-CB 4.48Å; Y226-E314 HydrophobicContact CE2-CG 4.02Å; Y226-E314 WeakPolarHBondContact OH-CA 3.31Å; L253-E314 HydrophobicContact CD1-CB 4.39Å; E314-M316 HydrophobicContact CG-CE 4.25Å; E314-M316 PolarHBondContact OE1-N 3.39Å; E314-M316 VanDerWaalsContact OE1-N 3.17Å; E314-W495 HydrophobicContact CG-CZ2 4.42Å; E314-W495 VanDerWaalsContact OE1-CZ2 3.3Å; E314-W495 WeakPolarHBondContact OE1-CZ2 3.46Å
315	W	94.4	Very high	95.1	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.015	12%	0.121	C	C	.	.			trans	-106.7	-6.1	-173.4	66	-91.7	0	0	0	113.2	L320 M325 L326 V329 Y348 L417 L419	W315-L320 HydrophobicContact CH2-CD1 3.74Å; W315-L320 HydrophobicContact CH2-CG 4.06Å; W315-L320 HydrophobicContact CZ2-CD1 4.29Å; W315-L320 HydrophobicContact CZ3-CD1 4.34Å; W315-L320 WeakPolarHBondContact CZ3-O 3.4Å; W315-M325 HydrophobicContact CB-CB 3.92Å; W315-M325 HydrophobicContact CB-CG 3.77Å; W315-M325 HydrophobicContact CB-SD 4.08Å; W315-L326 HydrophobicContact CD2-CB 4.1Å; W315-L326 HydrophobicContact CD2-CD1 4.13Å; W315-L326 HydrophobicContact CE3-CB 3.57Å; W315-L326 HydrophobicContact CE3-CD1 4.34Å; W315-L326 HydrophobicContact CE3-CG 4.42Å; W315-L326 HydrophobicContact CH2-CB 4.11Å; W315-L326 HydrophobicContact CH2-CD1 4.01Å; W315-L326 HydrophobicContact CH2-CD2 3.85Å; W315-L326 HydrophobicContact CH2-CG 4.21Å; W315-L326 HydrophobicContact CZ2-CD1 3.74Å; W315-L326 HydrophobicContact CZ2-CD2 4.36Å; W315-L326 HydrophobicContact CZ2-CG 4.44Å; W315-L326 HydrophobicContact CZ3-CB 3.6Å; W315-L326 HydrophobicContact CZ3-CD1 4.32Å; W315-L326 HydrophobicContact CZ3-CD2 4.11Å; W315-L326 HydrophobicContact CZ3-CG 4.21Å; W315-V329 HydrophobicContact CB-CG2 3.79Å; W315-V329 HydrophobicContact CG-CG2 4.09Å; W315-Y348 AromaticContact CE2-CZ 3.88Å; W315-Y348 HydrophobicContact CZ2-CD1 4.08Å; W315-Y348 HydrophobicContact CZ2-CD2 4.01Å; W315-Y348 HydrophobicContact CZ2-CE1 4.03Å; W315-Y348 AromaticContact CZ2-CE2 3.94Å; W315-Y348 HydrophobicContact CZ2-CE2 3.94Å; W315-Y348 HydrophobicContact CZ2-CG 4.06Å; W315-Y348 AromaticContact CZ2-CZ 3.92Å; W315-Y348 AromaticContact NE1-CE1 4Å; W315-Y348 AromaticContact NE1-CE2 3.78Å; W315-Y348 AromaticContact NE1-CZ 3.34Å; W315-Y348 VanDerWaalsContact NE1-CZ 3.34Å; W315-Y348 PolarHBondContact NE1-OH 2.85Å; W315-L417 HydrophobicContact CH2-CD1 4.07Å; W315-L417 HydrophobicContact CZ2-CD1 4.43Å; W315-L419 HydrophobicContact CZ2-CD1 4.49Å
316	M	95.1	Very high	94.9	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.02	11%	0.114	C	C	.	.			trans	-77.2	134	-164.8	-56	85	65.5	0	0	110.2	E314 L320 Y348 F470 V472 F484 W495	E314-M316 HydrophobicContact CG-CE 4.25Å; E314-M316 PolarHBondContact OE1-N 3.39Å; E314-M316 VanDerWaalsContact OE1-N 3.17Å; M316-L320 HydrophobicContact CB-CD1 4.36Å; M316-L320 HydrophobicContact CG-CD1 4.04Å; M316-Y348 HydrophobicContact CE-CE1 4.28Å; M316-Y348 HydrophobicContact CG-CD1 3.94Å; M316-Y348 HydrophobicContact CG-CE1 3.47Å; M316-Y348 VanDerWaalsContact CG-CE1 3.47Å; M316-Y348 HydrophobicContact SD-CD1 4.44Å; M316-Y348 HydrophobicContact SD-CE1 3.43Å; M316-Y348 WeakPolarHBondContact SD-CE1 3.49Å; M316-F470 HydrophobicContact CB-CE2 4.06Å; M316-F470 HydrophobicContact CB-CZ 3.9Å; M316-F470 HydrophobicContact CG-CE2 4.29Å; M316-V472 HydrophobicContact CE-CG2 4.19Å; M316-F484 HydrophobicContact CE-CZ 3.95Å; M316-W495 HydrophobicContact CB-CZ2 4.22Å; M316-W495 HydrophobicContact CE-CH2 3.64Å; M316-W495 HydrophobicContact CE-CZ2 3.69Å; M316-W495 PolarHBondContact O-NE1 3.11Å
317	G	94	Very high	94.5	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-105.2	-177.7	172	0	0	0	0	0	113	F319 L320 F322 F470	G317-F319 PolarHBondContact O-N 3.28Å; G317-L320 PolarHBondContact N-O 2.87Å; G317-L320 CarbonylContact O-C 3.53Å; G317-L320 VanDerWaalsContact O-CA 3.3Å; G317-L320 WeakPolarHBondContact O-CA 3.35Å; G317-L320 PolarHBondContact O-N 3.48Å; G317-F322 WeakPolarHBondContact CA-O 3.36Å; G317-F470 WeakPolarHBondContact O-CE1 3.33Å
318	Y	95	Very high	94.2	Very high	63 Å²	63	12.6 Å²	12.6	25%	0.247	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	139.8	165.4	-56.1	-46.6	0	0	0	111.4	L320 F322 V390 W495	Y318-L320 PolarHBondContact O-N 3.47Å; Y318-L320 VanDerWaalsContact O-N 3.1Å; Y318-F322 AromaticContact CD2-CD1 3.62Å; Y318-F322 HydrophobicContact CD2-CD1 3.62Å; Y318-F322 AromaticContact CD2-CE1 3.85Å; Y318-F322 HydrophobicContact CD2-CE1 3.85Å; Y318-F322 HydrophobicContact CD2-CG 4.26Å; Y318-F322 HydrophobicContact CE2-CD1 4.36Å; Y318-F322 HydrophobicContact CE2-CE1 4.25Å; Y318-F322 HydrophobicContact CG-CD1 4.3Å; Y318-F322 WeakPolarHBondContact O-CB 3.48Å; Y318-F322 PolarHBondContact O-N 2.86Å; Y318-V390 HydrophobicContact CD1-CG1 3.63Å; Y318-V390 HydrophobicContact CD1-CG2 4.17Å; Y318-V390 HydrophobicContact CD2-CG2 3.93Å; Y318-V390 HydrophobicContact CE1-CG1 3.67Å; Y318-V390 HydrophobicContact CE2-CG2 4.47Å; Y318-V390 HydrophobicContact CG-CG1 4.1Å; Y318-V390 HydrophobicContact CG-CG2 3.76Å; Y318-W495 HydrophobicContact CD1-CB 4.47Å; Y318-W495 VanDerWaalsContact CD1-O 3.27Å; Y318-W495 WeakPolarHBondContact CD1-O 3.28Å
319	F	96.3	Very high	94	Very high	3 Å²	3	12.6 Å²	12.6	1%	0.013	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	30.8	-176.1	-149.9	-114	0	0	0	113.5	G317 F321 L350 L352 T498 L500 I518 I520 L530 I532 L551	G317-F319 PolarHBondContact O-N 3.28Å; F319-F321 PolarHBondContact O-N 3.27Å; F319-L350 HydrophobicContact CD1-CD2 4.08Å; F319-L350 HydrophobicContact CD2-CD1 4.22Å; F319-L350 HydrophobicContact CE1-CD2 3.98Å; F319-L350 HydrophobicContact CG-CD1 4.27Å; F319-L350 HydrophobicContact CZ-CD2 4.49Å; F319-L352 HydrophobicContact CE2-CD2 4.38Å; F319-L352 HydrophobicContact CZ-CD2 4.19Å; F319-T498 HydrophobicContact CB-CG2 4.38Å; F319-T498 HydrophobicContact CD2-CG2 3.87Å; F319-T498 HydrophobicContact CE2-CG2 4.4Å; F319-T498 HydrophobicContact CG-CG2 4.37Å; F319-L500 HydrophobicContact CE2-CD1 4.47Å; F319-L500 HydrophobicContact CZ-CD1 4.26Å; F319-I518 HydrophobicContact CE1-CD1 4.42Å; F319-I518 HydrophobicContact CZ-CD1 4.04Å; F319-I520 HydrophobicContact CD1-CD1 4.16Å; F319-I520 HydrophobicContact CE1-CD1 3.66Å; F319-I520 HydrophobicContact CE1-CG1 4.18Å; F319-L530 HydrophobicContact CB-CD1 4.34Å; F319-L530 HydrophobicContact CD1-CD1 4.41Å; F319-I532 HydrophobicContact CD1-CD1 3.64Å; F319-I532 HydrophobicContact CD1-CG1 4.32Å; F319-I532 HydrophobicContact CE1-CD1 3.62Å; F319-I532 HydrophobicContact CE1-CG1 4.1Å; F319-I532 HydrophobicContact CE1-CG2 4.36Å; F319-I532 HydrophobicContact CG-CD1 4.19Å; F319-I532 HydrophobicContact CZ-CD1 4.11Å; F319-L551 HydrophobicContact CB-CD2 4.08Å
320	L	96.4	Very high	93.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	69	-46.6	-176.6	-174.9	61	0	0	0	115.3	W315 M316 G317 Y318 Y348 L350 L417 F470	W315-L320 HydrophobicContact CH2-CD1 3.74Å; W315-L320 HydrophobicContact CH2-CG 4.06Å; W315-L320 HydrophobicContact CZ2-CD1 4.29Å; W315-L320 HydrophobicContact CZ3-CD1 4.34Å; W315-L320 WeakPolarHBondContact CZ3-O 3.4Å; M316-L320 HydrophobicContact CB-CD1 4.36Å; M316-L320 HydrophobicContact CG-CD1 4.04Å; G317-L320 PolarHBondContact N-O 2.87Å; G317-L320 CarbonylContact O-C 3.53Å; G317-L320 VanDerWaalsContact O-CA 3.3Å; G317-L320 WeakPolarHBondContact O-CA 3.35Å; G317-L320 PolarHBondContact O-N 3.48Å; Y318-L320 PolarHBondContact O-N 3.47Å; Y318-L320 VanDerWaalsContact O-N 3.1Å; L320-Y348 HydrophobicContact CD1-CD1 3.9Å; L320-Y348 HydrophobicContact CD1-CG 4.32Å; L320-L350 HydrophobicContact CB-CD1 4.27Å; L320-L350 HydrophobicContact CD2-CB 3.97Å; L320-L417 HydrophobicContact CD2-CD1 4.02Å; L320-F470 HydrophobicContact CB-CB 4.1Å; L320-F470 HydrophobicContact CB-CD1 4.07Å; L320-F470 HydrophobicContact CB-CG 4.19Å; L320-F470 HydrophobicContact CD1-CB 4.25Å; L320-F470 HydrophobicContact CD1-CD2 4.15Å; L320-F470 HydrophobicContact CD1-CG 4.06Å
321	F	93.9	Very high	93.4	Very high	10 Å²	10	14 Å²	14	4%	0.044	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-6.7	-167.8	-65.2	-71.2	0	0	0	115.8	F319 S324 L326 L350 V415 L417 L437 I520 L530	F319-F321 PolarHBondContact O-N 3.27Å; F321-S324 PolarHBondContact O-N 3.5Å; F321-L326 HydrophobicContact CE1-CD2 4.23Å; F321-L350 HydrophobicContact CD2-CD2 4.28Å; F321-L350 HydrophobicContact CE2-CD2 4.07Å; F321-V415 HydrophobicContact CZ-CG1 4.27Å; F321-L417 HydrophobicContact CE1-CD1 3.86Å; F321-L417 HydrophobicContact CZ-CD1 3.98Å; F321-L417 HydrophobicContact CZ-CD2 4.41Å; F321-L437 HydrophobicContact CB-CD1 3.85Å; F321-L437 HydrophobicContact CG-CD1 4.23Å; F321-I520 HydrophobicContact CD2-CD1 4.39Å; F321-L530 HydrophobicContact CB-CD1 4.06Å; F321-L530 HydrophobicContact CB-CD2 4.07Å
322	F	92.1	Very high	93.2	Very high	16 Å²	16	14.1 Å²	14.1	7%	0.07	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	154.4	176.7	-174.3	-104.8	0	0	0	110.4	G317 Y318 S324 R528 L530 L551	G317-F322 WeakPolarHBondContact CA-O 3.36Å; Y318-F322 AromaticContact CD2-CD1 3.62Å; Y318-F322 HydrophobicContact CD2-CD1 3.62Å; Y318-F322 AromaticContact CD2-CE1 3.85Å; Y318-F322 HydrophobicContact CD2-CE1 3.85Å; Y318-F322 HydrophobicContact CD2-CG 4.26Å; Y318-F322 HydrophobicContact CE2-CD1 4.36Å; Y318-F322 HydrophobicContact CE2-CE1 4.25Å; Y318-F322 HydrophobicContact CG-CD1 4.3Å; Y318-F322 WeakPolarHBondContact O-CB 3.48Å; Y318-F322 PolarHBondContact O-N 2.86Å; F322-S324 PolarHBondContact O-N 3.45Å; F322-R528 WeakPolarHBondContact CD2-O 3.23Å; F322-L530 HydrophobicContact CB-CD1 4.35Å; F322-L551 HydrophobicContact CB-CD2 4.17Å; F322-L551 HydrophobicContact CD2-CD2 4.01Å; F322-L551 HydrophobicContact CD2-CG 3.82Å; F322-L551 HydrophobicContact CE2-CG 4.2Å; F322-L551 WeakPolarHBondContact CE2-O 3.24Å; F322-L551 HydrophobicContact CG-CD2 4.29Å; F322-L551 HydrophobicContact CG-CG 4.48Å
323	E	87.6	Confident	93	Very high	25 Å²	25	14 Å²	14	12%	0.117	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	-14.3	-172.9	-44.5	-167.3	170.1	0	0	116.6	Y203 Y207 M325 R528	Y203-E323 HydrophobicContact CE2-CB 3.98Å; Y203-E323 HydrophobicContact CE2-CG 4.03Å; Y203-E323 VanDerWaalsContact CE2-OE2 3.3Å; Y203-E323 WeakPolarHBondContact CE2-OE2 3.45Å; Y203-E323 PolarHBondContact OH-OE2 2.97Å; Y207-E323 PolarHBondContact OH-OE1 3.48Å; Y207-E323 PolarHBondContact OH-OE2 3.01Å; E323-M325 PolarHBondContact O-N 3.27Å; E323-M325 VanDerWaalsContact O-N 3.15Å; E323-R528 PolarHBondContact N-O 3.4Å; E323-R528 PolarHBondContact O-NH1 2.75Å
324	S	85.8	Confident	92.8	Very high	16 Å²	16	16.8 Å²	16.8	11%	0.112	9%	0.085	C	C	.	.			trans	62.1	21.9	168.3	-67.3	0	0	0	0	116.6	F321 F322 L326 R522 N527	F321-S324 PolarHBondContact O-N 3.5Å; F322-S324 PolarHBondContact O-N 3.45Å; S324-L326 VanDerWaalsContact C-N 3.33Å; S324-L326 PolarHBondContact O-N 2.82Å; S324-R522 PolarHBondContact OG-NH1 3.35Å; S324-N527 PolarHBondContact OG-O 3.01Å
325	M	90.6	Very high	92.7	Very high	20 Å²	20	20 Å²	20	10%	0.099	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.6	-173	-172.6	172.7	170	0	0	114.3	V246 W315 E323 D327 S328 V329	V246-M325 HydrophobicContact CG1-CE 4.26Å; V246-M325 WeakPolarHBondContact O-CE 3.21Å; W315-M325 HydrophobicContact CB-CB 3.92Å; W315-M325 HydrophobicContact CB-CG 3.77Å; W315-M325 HydrophobicContact CB-SD 4.08Å; E323-M325 PolarHBondContact O-N 3.27Å; E323-M325 VanDerWaalsContact O-N 3.15Å; M325-D327 PolarHBondContact O-N 3.46Å; M325-D327 VanDerWaalsContact O-N 3.15Å; M325-S328 VanDerWaalsContact O-CB 3.28Å; M325-S328 WeakPolarHBondContact O-CB 3.3Å; M325-S328 PolarHBondContact O-N 2.88Å; M325-S328 PolarHBondContact O-OG 3.03Å; M325-V329 PolarHBondContact O-N 2.9Å; M325-V329 VanDerWaalsContact O-N 3.16Å
326	L	92.1	Very high	92.9	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-51.9	-38.8	175.4	-177.7	52.9	0	0	0	112.4	W315 F321 S324 S328 V329 L330 L417 L419 M422 L430	W315-L326 HydrophobicContact CD2-CB 4.1Å; W315-L326 HydrophobicContact CD2-CD1 4.13Å; W315-L326 HydrophobicContact CE3-CB 3.57Å; W315-L326 HydrophobicContact CE3-CD1 4.34Å; W315-L326 HydrophobicContact CE3-CG 4.42Å; W315-L326 HydrophobicContact CH2-CB 4.11Å; W315-L326 HydrophobicContact CH2-CD1 4.01Å; W315-L326 HydrophobicContact CH2-CD2 3.85Å; W315-L326 HydrophobicContact CH2-CG 4.21Å; W315-L326 HydrophobicContact CZ2-CD1 3.74Å; W315-L326 HydrophobicContact CZ2-CD2 4.36Å; W315-L326 HydrophobicContact CZ2-CG 4.44Å; W315-L326 HydrophobicContact CZ3-CB 3.6Å; W315-L326 HydrophobicContact CZ3-CD1 4.32Å; W315-L326 HydrophobicContact CZ3-CD2 4.11Å; W315-L326 HydrophobicContact CZ3-CG 4.21Å; F321-L326 HydrophobicContact CE1-CD2 4.23Å; S324-L326 VanDerWaalsContact C-N 3.33Å; S324-L326 PolarHBondContact O-N 2.82Å; L326-S328 VanDerWaalsContact C-N 3.34Å; L326-S328 PolarHBondContact O-N 3.15Å; L326-V329 PolarHBondContact O-N 3.27Å; L326-L330 HydrophobicContact CD1-CD1 4.08Å; L326-L330 HydrophobicContact CD1-CG 4.09Å; L326-L330 HydrophobicContact CG-CD1 3.99Å; L326-L330 HydrophobicContact CG-CG 4.41Å; L326-L330 WeakPolarHBondContact O-CG 3.42Å; L326-L330 PolarHBondContact O-N 3.44Å; L326-L417 HydrophobicContact CD2-CD1 4.12Å; L326-L419 HydrophobicContact CD1-CD1 4.34Å; L326-L419 HydrophobicContact CD1-CD2 4.2Å; L326-L419 HydrophobicContact CD1-CG 4.15Å; L326-M422 HydrophobicContact CD2-CE 4.31Å; L326-L430 HydrophobicContact CD2-CD1 3.71Å; L326-L430 HydrophobicContact CG-CD1 4.08Å
327	D	89	Confident	93	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.053	10%	0.101	C	C	.	.	H	α-helix	trans	-66.4	-39.8	-178.9	-68.3	-3.7	0	0	0	111.7	M325 V329 L330 K331 L430 R522	M325-D327 PolarHBondContact O-N 3.46Å; M325-D327 VanDerWaalsContact O-N 3.15Å; D327-V329 VanDerWaalsContact C-N 3.33Å; D327-L330 PolarHBondContact O-N 3.37Å; D327-K331 VanDerWaalsContact O-CB 3.27Å; D327-K331 WeakPolarHBondContact O-CB 3.41Å; D327-K331 WeakPolarHBondContact O-CD 3.12Å; D327-K331 WeakPolarHBondContact O-CG 3.4Å; D327-K331 PolarHBondContact O-N 2.84Å; D327-L430 WeakPolarHBondContact OD1-CB 3.06Å; D327-L430 WeakPolarHBondContact OD1-CD1 3.39Å; D327-R522 IonicContact OD1-NH2 3.37Å; D327-R522 IonicContact OD2-CZ 2.66Å; D327-R522 IonicContact OD2-NH2 2.78Å; D327-R522 PolarHBondContact OD2-NH2 2.96Å
328	S	91	Very high	93.1	Very high	10 Å²	10	21.6 Å²	21.6	7%	0.07	11%	0.108	C	C	.	.	H	α-helix	trans	-60.3	-46.6	176.1	-43.8	0	0	0	0	110	E299 M325 L326 K331 M332	E299-S328 WeakPolarHBondContact OE1-CA 3.36Å; E299-S328 WeakPolarHBondContact OE1-CB 3.2Å; E299-S328 PolarHBondContact OE1-OG 3.48Å; M325-S328 VanDerWaalsContact O-CB 3.28Å; M325-S328 WeakPolarHBondContact O-CB 3.3Å; M325-S328 PolarHBondContact O-N 2.88Å; M325-S328 PolarHBondContact O-OG 3.03Å; L326-S328 VanDerWaalsContact C-N 3.34Å; L326-S328 PolarHBondContact O-N 3.15Å; S328-K331 PolarHBondContact O-N 3.07Å; S328-M332 WeakPolarHBondContact O-CB 3.32Å; S328-M332 VanDerWaalsContact O-CG 3.32Å; S328-M332 WeakPolarHBondContact O-CG 3.27Å; S328-M332 PolarHBondContact O-N 2.82Å
329	V	94.4	Very high	93	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-48.1	177.4	-179.5	0	0	0	0	111.1	V246 I311 S313 W315 M325 L326 D327 M332 A333 I343	V246-V329 HydrophobicContact CG1-CG2 4.33Å; I311-V329 HydrophobicContact CG2-CG1 4.29Å; S313-V329 VanDerWaalsContact OG-CG2 3.27Å; S313-V329 WeakPolarHBondContact OG-CG2 3.4Å; W315-V329 HydrophobicContact CB-CG2 3.79Å; W315-V329 HydrophobicContact CG-CG2 4.09Å; M325-V329 PolarHBondContact O-N 2.9Å; M325-V329 VanDerWaalsContact O-N 3.16Å; L326-V329 PolarHBondContact O-N 3.27Å; D327-V329 VanDerWaalsContact C-N 3.33Å; V329-M332 PolarHBondContact O-N 3.22Å; V329-A333 WeakPolarHBondContact O-CB 3.44Å; V329-A333 PolarHBondContact O-N 3.38Å; V329-I343 HydrophobicContact CG1-CG2 4.08Å
330	L	92.6	Very high	92.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-67.7	-37.4	-179	-68.9	175.3	0	0	0	112.5	L326 D327 A333 S334 M422 Y428 L430	L326-L330 HydrophobicContact CD1-CD1 4.08Å; L326-L330 HydrophobicContact CD1-CG 4.09Å; L326-L330 HydrophobicContact CG-CD1 3.99Å; L326-L330 HydrophobicContact CG-CG 4.41Å; L326-L330 WeakPolarHBondContact O-CG 3.42Å; L326-L330 PolarHBondContact O-N 3.44Å; D327-L330 PolarHBondContact O-N 3.37Å; L330-A333 PolarHBondContact O-N 2.85Å; L330-S334 WeakPolarHBondContact O-CB 3.39Å; L330-S334 PolarHBondContact O-N 3.43Å; L330-M422 HydrophobicContact CD1-CE 3.76Å; L330-M422 HydrophobicContact CD2-CB 4.35Å; L330-Y428 HydrophobicContact CB-CD1 3.8Å; L330-Y428 HydrophobicContact CB-CE1 3.89Å; L330-Y428 VanDerWaalsContact O-CE1 3.3Å; L330-Y428 WeakPolarHBondContact O-CE1 3.46Å; L330-L430 HydrophobicContact CD1-CD1 4.17Å
331	K	91.5	Very high	92.8	Very high	72 Å²	72	37.1 Å²	37.1	31%	0.313	18%	0.179	S	C	.	.	H	α-helix	trans	-62.9	-45.2	173.1	-75.5	167.9	-173.9	167.7	0	110.9	E299 D327 S328 A333 S334 K335 N432	E299-K331 HydrophobicContact CG-CD 3.66Å; D327-K331 VanDerWaalsContact O-CB 3.27Å; D327-K331 WeakPolarHBondContact O-CB 3.41Å; D327-K331 WeakPolarHBondContact O-CD 3.12Å; D327-K331 WeakPolarHBondContact O-CG 3.4Å; D327-K331 PolarHBondContact O-N 2.84Å; S328-K331 PolarHBondContact O-N 3.07Å; K331-A333 VanDerWaalsContact C-N 3.35Å; K331-A333 PolarHBondContact O-N 3.37Å; K331-S334 WeakPolarHBondContact O-CB 3.43Å; K331-S334 PolarHBondContact O-N 3.04Å; K331-K335 PolarHBondContact O-N 3.44Å; K331-N432 PolarHBondContact NZ-OD1 3.16Å
332	M	94.1	Very high	92.9	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-42.5	175	-75.2	-60.1	-88	0	0	111.9	L244 V246 V268 A298 V301 L303 S328 V329 K335 Y336	L244-M332 HydrophobicContact CD1-CE 4.26Å; L244-M332 HydrophobicContact CD2-CB 4.26Å; L244-M332 HydrophobicContact CD2-CE 3.68Å; V246-M332 HydrophobicContact CG1-CG 4.47Å; V246-M332 HydrophobicContact CG2-CB 4.21Å; V246-M332 HydrophobicContact CG2-CG 4.28Å; V268-M332 HydrophobicContact CG2-CE 4.23Å; A298-M332 HydrophobicContact CB-CG 4Å; V301-M332 HydrophobicContact CG2-CE 3.94Å; L303-M332 HydrophobicContact CD1-CE 4.26Å; L303-M332 HydrophobicContact CD2-CE 4.25Å; L303-M332 HydrophobicContact CG-CE 4.29Å; S328-M332 WeakPolarHBondContact O-CB 3.32Å; S328-M332 VanDerWaalsContact O-CG 3.32Å; S328-M332 WeakPolarHBondContact O-CG 3.27Å; S328-M332 PolarHBondContact O-N 2.82Å; V329-M332 PolarHBondContact O-N 3.22Å; M332-K335 PolarHBondContact O-N 3.48Å; M332-Y336 HydrophobicContact CE-CD2 3.65Å; M332-Y336 HydrophobicContact CE-CE2 3.6Å; M332-Y336 PolarHBondContact O-N 2.96Å; M332-Y336 HydrophobicContact SD-CD2 3.7Å; M332-Y336 HydrophobicContact SD-CE2 3.56Å; M332-Y336 VanDerWaalsContact SD-CE2 3.56Å
333	A	95	Very high	93.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-45.8	174.5	0	0	0	0	0	111.8	I311 V329 L330 K331 K335 Y336 L337 I343 H423	I311-A333 VanDerWaalsContact CD1-CA 3.41Å; I311-A333 HydrophobicContact CD1-CB 3.71Å; V329-A333 WeakPolarHBondContact O-CB 3.44Å; V329-A333 PolarHBondContact O-N 3.38Å; L330-A333 PolarHBondContact O-N 2.85Å; K331-A333 VanDerWaalsContact C-N 3.35Å; K331-A333 PolarHBondContact O-N 3.37Å; A333-K335 VanDerWaalsContact C-N 3.26Å; A333-K335 PolarHBondContact O-N 2.78Å; A333-Y336 PolarHBondContact O-N 3.35Å; A333-L337 HydrophobicContact CB-CB 4.15Å; A333-L337 HydrophobicContact CB-CD2 4.29Å; A333-L337 WeakPolarHBondContact O-CB 3.48Å; A333-L337 PolarHBondContact O-N 2.72Å; A333-I343 HydrophobicContact CB-CD1 3.61Å; A333-I343 HydrophobicContact CB-CG1 4.35Å; A333-H423 PolarHBondContact O-CE1 3.48Å; A333-H423 VanDerWaalsContact O-CE1 3.26Å
334	S	93	Very high	93.7	Very high	60 Å²	60	37.4 Å²	37.4	42%	0.42	18%	0.181	S	C	.	.	H	α-helix	trans	-53.4	-44.4	175.6	-155.9	0	0	0	0	112.4	L330 K331 Y428	L330-S334 WeakPolarHBondContact O-CB 3.39Å; L330-S334 PolarHBondContact O-N 3.43Å; K331-S334 WeakPolarHBondContact O-CB 3.43Å; K331-S334 PolarHBondContact O-N 3.04Å; S334-Y428 WeakPolarHBondContact CB-OH 3.42Å; S334-Y428 PolarHBondContact OG-OH 3.24Å
335	K	93.7	Very high	94.3	Very high	97 Å²	97	36.7 Å²	36.7	42%	0.422	18%	0.176	S	C	.	.	H	α-helix	trans	-77.6	-49	-177.2	-166.5	171.2	176.7	-170.1	0	111.9	V301 K307 K331 M332 A333	V301-K335 PolarHBondContact O-NZ 3.06Å; K307-K335 PolarHBondContact NZ-O 3.37Å; K331-K335 PolarHBondContact O-N 3.44Å; M332-K335 PolarHBondContact O-N 3.48Å; A333-K335 VanDerWaalsContact C-N 3.26Å; A333-K335 PolarHBondContact O-N 2.78Å
336	Y	97.3	Very high	94.6	Very high	13 Å²	13	37.1 Å²	37.1	5%	0.051	18%	0.176	C	C	.	.	H	α-helix	trans	-116.6	-15.7	-164	-58.6	-67.3	0	0	0	115.7	V301 E302 L303 K307 V308 M332 A333 S338	V301-Y336 PolarHBondContact O-OH 3.43Å; E302-Y336 VanDerWaalsContact CA-OH 3.31Å; E302-Y336 WeakPolarHBondContact CA-OH 2.87Å; L303-Y336 HydrophobicContact CB-CD1 4.11Å; L303-Y336 HydrophobicContact CB-CE1 3.77Å; L303-Y336 HydrophobicContact CD1-CD1 3.78Å; L303-Y336 HydrophobicContact CD1-CD2 3.59Å; L303-Y336 HydrophobicContact CD1-CE1 4.13Å; L303-Y336 HydrophobicContact CD1-CE2 3.93Å; L303-Y336 HydrophobicContact CD1-CG 3.49Å; L303-Y336 VanDerWaalsContact CD1-CG 3.49Å; L303-Y336 HydrophobicContact CG-CD1 4.08Å; L303-Y336 HydrophobicContact CG-CD2 3.96Å; L303-Y336 HydrophobicContact CG-CE1 3.89Å; L303-Y336 HydrophobicContact CG-CE2 3.73Å; L303-Y336 HydrophobicContact CG-CG 4.1Å; L303-Y336 PolarHBondContact N-OH 2.98Å; L303-Y336 VanDerWaalsContact N-OH 3.14Å; K307-Y336 CarbonylContact C-O 3.55Å; K307-Y336 WeakPolarHBondContact CA-O 3.36Å; K307-Y336 WeakPolarHBondContact CD-O 3.48Å; V308-Y336 PolarHBondContact N-O 2.96Å; M332-Y336 HydrophobicContact CE-CD2 3.65Å; M332-Y336 HydrophobicContact CE-CE2 3.6Å; M332-Y336 PolarHBondContact O-N 2.96Å; M332-Y336 HydrophobicContact SD-CD2 3.7Å; M332-Y336 HydrophobicContact SD-CE2 3.56Å; M332-Y336 VanDerWaalsContact SD-CE2 3.56Å; A333-Y336 PolarHBondContact O-N 3.35Å; Y336-S338 PolarHBondContact O-N 3.39Å
337	L	97.4	Very high	94.9	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.3	179.1	-165.7	64.8	0	0	0	110.7	K307 V308 I311 A333 I343	K307-L337 VanDerWaalsContact CD-O 3.31Å; K307-L337 WeakPolarHBondContact CD-O 3.05Å; K307-L337 WeakPolarHBondContact CE-O 3.18Å; K307-L337 PolarHBondContact NZ-O 2.97Å; V308-L337 HydrophobicContact CG2-CD1 4.46Å; I311-L337 HydrophobicContact CD1-CB 4.04Å; I311-L337 HydrophobicContact CD1-CD1 4.04Å; I311-L337 HydrophobicContact CG1-CD1 3.94Å; A333-L337 HydrophobicContact CB-CB 4.15Å; A333-L337 HydrophobicContact CB-CD2 4.29Å; A333-L337 WeakPolarHBondContact O-CB 3.48Å; A333-L337 PolarHBondContact O-N 2.72Å; L337-I343 HydrophobicContact CD2-CD1 4.15Å; L337-I343 HydrophobicContact CD2-CG1 3.72Å
338	S	96.9	Very high	95.3	Very high	23 Å²	23	37.2 Å²	37.2	16%	0.161	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	165	173.8	80	0	0	0	0	110.8	V308 Y336 D340 G341	V308-S338 VanDerWaalsContact O-CB 3.3Å; V308-S338 WeakPolarHBondContact O-CB 3.24Å; V308-S338 PolarHBondContact O-N 3.39Å; V308-S338 PolarHBondContact O-OG 3.01Å; Y336-S338 PolarHBondContact O-N 3.39Å; S338-D340 VanDerWaalsContact C-N 3.26Å; S338-D340 PolarHBondContact O-N 3.39Å; S338-G341 PolarHBondContact O-N 3.34Å; S338-G341 VanDerWaalsContact O-N 3.13Å; S338-G341 WeakPolarHBondContact OG-CA 3.42Å; S338-G341 PolarHBondContact OG-N 2.97Å
339	R	92.6	Very high	95.7	Very high	245 Å²	245	37.3 Å²	37.3	93%	0.925	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	-34.2	-176.4	-179.3	178.3	175.9	175.4	-0.9	113.1
340	D	92.2	Very high	95.8	Very high	138 Å²	138	37.3 Å²	37.3	74%	0.738	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104	19.9	179.1	-52.3	-43.7	0	0	0	110.7	S338	S338-D340 VanDerWaalsContact C-N 3.26Å; S338-D340 PolarHBondContact O-N 3.39Å
341	G	96.3	Very high	96.1	Very high	9 Å²	9	37.6 Å²	37.6	9%	0.093	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	162.8	-178.9	0	0	0	0	0	112.8	D309 S338	D309-G341 CarbonylContact O-C 3.57Å; D309-G341 WeakPolarHBondContact O-CA 3.29Å; S338-G341 PolarHBondContact O-N 3.34Å; S338-G341 VanDerWaalsContact O-N 3.13Å; S338-G341 WeakPolarHBondContact OG-CA 3.42Å; S338-G341 PolarHBondContact OG-N 2.97Å
342	H	96.8	Very high	96.4	Very high	55 Å²	55	34.1 Å²	34.1	26%	0.255	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.1	-176.5	-60.5	-76.6	0	0	0	112.2	Y237 D309 V310 I311 F344 D420	Y237-H342 AromaticContact CD1-CD2 3.94Å; Y237-H342 AromaticContact CE1-NE2 3.98Å; D309-H342 PolarHBondContact O-N 3.34Å; V310-H342 CarbonylContact C-O 3.49Å; V310-H342 WeakPolarHBondContact CA-O 3.4Å; I311-H342 PolarHBondContact N-O 2.83Å; H342-F344 HydrophobicContact CB-CD2 4.42Å; H342-F344 HydrophobicContact CB-CE1 3.99Å; H342-F344 HydrophobicContact CB-CE2 3.69Å; H342-F344 HydrophobicContact CB-CZ 3.44Å; H342-F344 VanDerWaalsContact CB-CZ 3.44Å; H342-F344 AromaticContact CG-CZ 3.89Å; H342-D420 IonicContact ND1-OD2 2.8Å
343	I	97.5	Very high	96.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128	169.6	-51.2	172.8	0	0	0	108.4	I311 V329 A333 L337 L419 D420 H423	I311-I343 HydrophobicContact CB-CG1 4.45Å; I311-I343 HydrophobicContact CB-CG2 4.46Å; I311-I343 HydrophobicContact CG2-CG2 4.4Å; I311-I343 CarbonylContact O-C 3.49Å; I311-I343 WeakPolarHBondContact O-CA 3.38Å; V329-I343 HydrophobicContact CG1-CG2 4.08Å; A333-I343 HydrophobicContact CB-CD1 3.61Å; A333-I343 HydrophobicContact CB-CG1 4.35Å; L337-I343 HydrophobicContact CD2-CD1 4.15Å; L337-I343 HydrophobicContact CD2-CG1 3.72Å; I343-L419 HydrophobicContact CB-CB 4.36Å; I343-L419 HydrophobicContact CD1-CB 4.35Å; I343-L419 HydrophobicContact CG2-CB 4.34Å; I343-L419 HydrophobicContact CG2-CD2 3.86Å; I343-D420 PolarHBondContact N-OD1 2.94Å; I343-H423 HydrophobicContact CD1-CB 4.13Å
344	F	98.4	Very high	96.7	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.1	178.3	-60.5	-52.5	0	0	0	112.6	F229 Y237 F238 V310 I311 I312 S313 H342 F474 D475	F229-F344 HydrophobicContact CE1-CB 4.04Å; F229-F344 AromaticContact CE1-CD1 3.76Å; F229-F344 HydrophobicContact CE1-CD1 3.76Å; F229-F344 AromaticContact CE1-CD2 3.64Å; F229-F344 HydrophobicContact CE1-CD2 3.64Å; F229-F344 HydrophobicContact CE1-CE1 4.1Å; F229-F344 AromaticContact CE1-CE2 3.97Å; F229-F344 HydrophobicContact CE1-CE2 3.97Å; F229-F344 AromaticContact CE1-CG 3.53Å; F229-F344 HydrophobicContact CE1-CG 3.53Å; F229-F344 HydrophobicContact CE1-CZ 4.19Å; F229-F344 AromaticContact CZ-CD1 3.69Å; F229-F344 HydrophobicContact CZ-CD1 3.69Å; F229-F344 HydrophobicContact CZ-CD2 4.21Å; F229-F344 AromaticContact CZ-CE1 3.68Å; F229-F344 HydrophobicContact CZ-CE1 3.68Å; F229-F344 HydrophobicContact CZ-CE2 4.18Å; F229-F344 AromaticContact CZ-CG 3.97Å; F229-F344 HydrophobicContact CZ-CG 3.97Å; F229-F344 AromaticContact CZ-CZ 3.92Å; F229-F344 HydrophobicContact CZ-CZ 3.92Å; Y237-F344 HydrophobicContact CD1-CE2 4.19Å; Y237-F344 AromaticContact CD1-CZ 3.8Å; Y237-F344 HydrophobicContact CD1-CZ 3.8Å; Y237-F344 HydrophobicContact CD2-CE2 4.29Å; Y237-F344 AromaticContact CD2-CZ 4Å; Y237-F344 HydrophobicContact CD2-CZ 4Å; Y237-F344 HydrophobicContact CE1-CZ 4.02Å; Y237-F344 HydrophobicContact CE2-CZ 4.22Å; Y237-F344 AromaticContact CG-CE2 3.91Å; Y237-F344 HydrophobicContact CG-CE2 3.91Å; Y237-F344 AromaticContact CG-CZ 3.8Å; Y237-F344 HydrophobicContact CG-CZ 3.8Å; F238-F344 AromaticContact CZ-CD2 3.98Å; F238-F344 HydrophobicContact CZ-CD2 3.98Å; F238-F344 HydrophobicContact CZ-CE2 4.29Å; V310-F344 HydrophobicContact CG1-CD2 3.5Å; V310-F344 VanDerWaalsContact CG1-CD2 3.5Å; V310-F344 HydrophobicContact CG1-CE2 3.83Å; V310-F344 HydrophobicContact CG2-CE2 4.33Å; I311-F344 PolarHBondContact O-N 2.96Å; I312-F344 WeakPolarHBondContact CA-O 3.02Å; S313-F344 PolarHBondContact N-O 3.06Å; S313-F344 VanDerWaalsContact N-O 3.13Å; H342-F344 HydrophobicContact CB-CD2 4.42Å; H342-F344 HydrophobicContact CB-CE1 3.99Å; H342-F344 HydrophobicContact CB-CE2 3.69Å; H342-F344 HydrophobicContact CB-CZ 3.44Å; H342-F344 VanDerWaalsContact CB-CZ 3.44Å; H342-F344 AromaticContact CG-CZ 3.89Å; F344-F474 HydrophobicContact CB-CD1 4.48Å; F344-F474 WeakPolarHBondContact CD1-O 3.47Å; F344-D475 HydrophobicContact CD1-CB 4.39Å; F344-D475 HydrophobicContact CE1-CB 3.81Å
345	P	98.2	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.143	C	C	.	.	S	Bend	cis	-62.5	156.1	-10.3	-16.1	27.3	0	0	0	112.8	Y226 Y348 V472 F474	Y226-P345 HydrophobicContact CE1-CG 4.01Å; Y226-P345 HydrophobicContact CE2-CG 4.42Å; Y226-P345 WeakPolarHBondContact OH-CD 3.44Å; Y226-P345 WeakPolarHBondContact OH-CG 3.22Å; P345-Y348 HydrophobicContact CB-CE1 4.35Å; P345-Y348 HydrophobicContact CB-CE2 4.38Å; P345-Y348 WeakPolarHBondContact CB-OH 3.41Å; P345-Y348 VanDerWaalsContact CD-OH 3.27Å; P345-Y348 WeakPolarHBondContact CD-OH 3.26Å; P345-Y348 WeakPolarHBondContact CG-OH 3.4Å; P345-Y348 WeakPolarHBondContact O-CE2 3.21Å; P345-Y348 PolarHBondContact O-OH 2.79Å; P345-V472 HydrophobicContact CB-CG1 3.34Å; P345-V472 HydrophobicContact CG-CG1 3.58Å; P345-F474 HydrophobicContact CB-CD1 4.14Å; P345-F474 HydrophobicContact CB-CD2 4.4Å; P345-F474 HydrophobicContact CB-CE1 4.37Å; P345-F474 HydrophobicContact CB-CG 4.18Å; P345-F474 HydrophobicContact CG-CD1 4.05Å; P345-F474 HydrophobicContact CG-CE1 3.78Å; P345-F474 HydrophobicContact CG-CE2 4.24Å; P345-F474 HydrophobicContact CG-CG 4.43Å; P345-F474 HydrophobicContact CG-CZ 3.88Å
346	R	97.1	Very high	96.9	Very high	29 Å²	29	29.5 Å²	29.5	11%	0.109	14%	0.136	C	C	.	.			trans	-97.2	-41.7	-173.8	-177.5	177.1	166.4	-167.6	-4.2	113.6	D418 L419 D420 R473 F474 D475 D477	R346-D418 IonicContact CZ-OD1 3.55Å; R346-D418 IonicContact CZ-OD2 3.06Å; R346-D418 IonicContact NE-OD1 3.69Å; R346-D418 PolarHBondContact NE-OD1 2.86Å; R346-D418 IonicContact NE-OD2 2.83Å; R346-D418 PolarHBondContact NE-OD2 2.82Å; R346-D418 IonicContact NH2-OD1 3.71Å; R346-D418 IonicContact NH2-OD2 3.87Å; R346-D418 PolarHBondContact NH2-OD2 3.11Å; R346-L419 PolarHBondContact O-N 2.83Å; R346-D420 HydrophobicContact CG-CB 4.1Å; R346-D420 IonicContact CZ-OD2 3.81Å; R346-D420 IonicContact NE-OD2 3.35Å; R346-R473 PolarHBondContact N-O 3.24Å; R346-F474 WeakPolarHBondContact CB-O 3.27Å; R346-F474 PolarHBondContact N-O 3.28Å; R346-D475 IonicContact NH1-OD1 3.77Å; R346-D475 PolarHBondContact NH1-OD1 2.91Å; R346-D475 VanDerWaalsContact NH1-OD1 3.15Å; R346-D477 IonicContact NH1-OD2 3.84Å; R346-D477 PolarHBondContact NH1-OD2 2.99Å
347	H	98	Very high	96.8	Very high	15 Å²	15	29.3 Å²	29.3	7%	0.069	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.7	-170	-54	-72.7	0	0	0	111.5	L417 D418 V472 R473 D476	H347-L417 WeakPolarHBondContact CA-O 3.29Å; H347-D418 IonicContact CE1-OD2 2.82Å; H347-D418 PolarHBondContact CE1-OD2 2.97Å; H347-D418 IonicContact ND1-OD2 3.69Å; H347-V472 WeakPolarHBondContact O-CA 3.32Å; H347-R473 HydrophobicContact CB-CB 4.13Å; H347-R473 PolarHBondContact N-O 2.79Å; H347-R473 PolarHBondContact O-N 3.3Å; H347-D476 IonicContact NE2-OD2 3.83Å
348	Y	98.2	Very high	96.5	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.7	178.6	-57.4	-96.7	0	0	0	109.8	W315 M316 L320 P345 A416 L417 L419 D471 V472	W315-Y348 AromaticContact CE2-CZ 3.88Å; W315-Y348 HydrophobicContact CZ2-CD1 4.08Å; W315-Y348 HydrophobicContact CZ2-CD2 4.01Å; W315-Y348 HydrophobicContact CZ2-CE1 4.03Å; W315-Y348 AromaticContact CZ2-CE2 3.94Å; W315-Y348 HydrophobicContact CZ2-CE2 3.94Å; W315-Y348 HydrophobicContact CZ2-CG 4.06Å; W315-Y348 AromaticContact CZ2-CZ 3.92Å; W315-Y348 AromaticContact NE1-CE1 4Å; W315-Y348 AromaticContact NE1-CE2 3.78Å; W315-Y348 AromaticContact NE1-CZ 3.34Å; W315-Y348 VanDerWaalsContact NE1-CZ 3.34Å; W315-Y348 PolarHBondContact NE1-OH 2.85Å; M316-Y348 HydrophobicContact CE-CE1 4.28Å; M316-Y348 HydrophobicContact CG-CD1 3.94Å; M316-Y348 HydrophobicContact CG-CE1 3.47Å; M316-Y348 VanDerWaalsContact CG-CE1 3.47Å; M316-Y348 HydrophobicContact SD-CD1 4.44Å; M316-Y348 HydrophobicContact SD-CE1 3.43Å; M316-Y348 WeakPolarHBondContact SD-CE1 3.49Å; L320-Y348 HydrophobicContact CD1-CD1 3.9Å; L320-Y348 HydrophobicContact CD1-CG 4.32Å; P345-Y348 HydrophobicContact CB-CE1 4.35Å; P345-Y348 HydrophobicContact CB-CE2 4.38Å; P345-Y348 WeakPolarHBondContact CB-OH 3.41Å; P345-Y348 VanDerWaalsContact CD-OH 3.27Å; P345-Y348 WeakPolarHBondContact CD-OH 3.26Å; P345-Y348 WeakPolarHBondContact CG-OH 3.4Å; P345-Y348 WeakPolarHBondContact O-CE2 3.21Å; P345-Y348 PolarHBondContact O-OH 2.79Å; Y348-A416 CarbonylContact O-C 3.54Å; Y348-A416 WeakPolarHBondContact O-CA 3.38Å; Y348-L417 PolarHBondContact N-O 3.16Å; Y348-L417 PolarHBondContact O-N 2.93Å; Y348-L419 HydrophobicContact CD2-CD1 3.43Å; Y348-L419 VanDerWaalsContact CD2-CD1 3.43Å; Y348-L419 HydrophobicContact CE2-CD1 3.46Å; Y348-L419 VanDerWaalsContact CE2-CD1 3.46Å; Y348-L419 HydrophobicContact CE2-CD2 3.71Å; Y348-L419 HydrophobicContact CE2-CG 4.19Å; Y348-D471 WeakPolarHBondContact CA-O 3.33Å; Y348-V472 HydrophobicContact CD1-CB 4.43Å; Y348-V472 HydrophobicContact CD1-CG1 4.22Å; Y348-V472 HydrophobicContact CD1-CG2 3.79Å; Y348-V472 HydrophobicContact CE1-CB 4.4Å; Y348-V472 HydrophobicContact CE1-CG1 3.79Å; Y348-V472 HydrophobicContact CE1-CG2 3.87Å
349	T	97.9	Very high	96.1	Very high	11 Å²	11	36.6 Å²	36.6	7%	0.067	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.7	169.8	57.9	0	0	0	0	110	N351 E413 V415 A416 F470 D471	T349-N351 PolarHBondContact OG1-ND2 2.96Å; T349-E413 HydrophobicContact CG2-CG 4.17Å; T349-E413 WeakPolarHBondContact CG2-OE2 3.02Å; T349-V415 CarbonylContact C-O 3.36Å; T349-V415 WeakPolarHBondContact CA-O 3.28Å; T349-A416 HydrophobicContact CG2-CB 4.2Å; T349-F470 CarbonylContact O-C 3.56Å; T349-F470 WeakPolarHBondContact O-CA 3.32Å; T349-F470 WeakPolarHBondContact O-CB 3.23Å; T349-D471 PolarHBondContact N-O 3.19Å; T349-D471 PolarHBondContact O-N 3.2Å; T349-D471 WeakPolarHBondContact OG1-CB 3.17Å; T349-D471 PolarHBondContact OG1-OD2 2.79Å
350	L	98.3	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.4	167.3	178	61.6	0	0	0	107.5	F319 L320 F321 L414 V415 I520	F319-L350 HydrophobicContact CD1-CD2 4.08Å; F319-L350 HydrophobicContact CD2-CD1 4.22Å; F319-L350 HydrophobicContact CE1-CD2 3.98Å; F319-L350 HydrophobicContact CG-CD1 4.27Å; F319-L350 HydrophobicContact CZ-CD2 4.49Å; L320-L350 HydrophobicContact CB-CD1 4.27Å; L320-L350 HydrophobicContact CD2-CB 3.97Å; F321-L350 HydrophobicContact CD2-CD2 4.28Å; F321-L350 HydrophobicContact CE2-CD2 4.07Å; L350-L414 HydrophobicContact CD2-CD2 4Å; L350-L414 HydrophobicContact CG-CD2 4.39Å; L350-L414 WeakPolarHBondContact O-CA 3.04Å; L350-L414 VanDerWaalsContact O-CB 3.3Å; L350-L414 WeakPolarHBondContact O-CB 3.43Å; L350-L414 PolarHBondContact O-N 3.25Å; L350-V415 HydrophobicContact CB-CB 4.22Å; L350-V415 PolarHBondContact N-O 3.17Å; L350-V415 PolarHBondContact O-N 3.18Å; L350-I520 HydrophobicContact CD2-CD1 3.62Å
351	N	98.5	Very high	96	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.043	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.5	-174.6	-60.5	-70.5	0	0	0	111.3	T349 F412 E413 G468 Y469 D471	T349-N351 PolarHBondContact OG1-ND2 2.96Å; N351-F412 CarbonylContact C-O 3.45Å; N351-F412 VanDerWaalsContact CA-O 3.27Å; N351-F412 WeakPolarHBondContact CA-O 3.31Å; N351-E413 WeakPolarHBondContact OD1-CA 3.28Å; N351-G468 VanDerWaalsContact O-CA 3.29Å; N351-G468 WeakPolarHBondContact O-CA 3.23Å; N351-Y469 HydrophobicContact CB-CD1 4.08Å; N351-Y469 HydrophobicContact CB-CD2 4.3Å; N351-Y469 HydrophobicContact CB-CE1 3.54Å; N351-Y469 HydrophobicContact CB-CE2 3.78Å; N351-Y469 HydrophobicContact CB-CG 4.43Å; N351-Y469 PolarHBondContact N-O 2.98Å; N351-Y469 WeakPolarHBondContact ND2-CE2 3.23Å; N351-Y469 PolarHBondContact O-N 3.13Å; N351-Y469 VanDerWaalsContact O-N 3.13Å; N351-D471 PolarHBondContact ND2-OD2 3.15Å
352	L	98.4	Very high	95.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.5	175.8	-59.7	-179.1	0	0	0	112	F319 S411 F412 L414 F442 L444 I466 V467 I518	F319-L352 HydrophobicContact CE2-CD2 4.38Å; F319-L352 HydrophobicContact CZ-CD2 4.19Å; L352-S411 WeakPolarHBondContact O-CA 3.32Å; L352-F412 PolarHBondContact N-O 3.06Å; L352-F412 PolarHBondContact O-N 2.61Å; L352-L414 HydrophobicContact CD1-CB 4.36Å; L352-L414 HydrophobicContact CD1-CD1 4.07Å; L352-L414 HydrophobicContact CD1-CD2 4.12Å; L352-L414 HydrophobicContact CD1-CG 4.41Å; L352-L414 HydrophobicContact CD2-CD2 4.38Å; L352-L414 HydrophobicContact CG-CB 4.18Å; L352-L414 HydrophobicContact CG-CD2 4.27Å; L352-F442 HydrophobicContact CD1-CB 4.09Å; L352-F442 HydrophobicContact CD1-CD1 4.26Å; L352-F442 HydrophobicContact CD1-CD2 4.3Å; L352-F442 HydrophobicContact CD1-CG 3.96Å; L352-L444 HydrophobicContact CB-CD2 4.42Å; L352-I466 HydrophobicContact CB-CG2 4.21Å; L352-I466 HydrophobicContact CD1-CG2 4.4Å; L352-I466 HydrophobicContact CD2-CG2 4.01Å; L352-I466 HydrophobicContact CG-CG2 4.44Å; L352-V467 CarbonylContact C-O 3.58Å; L352-V467 WeakPolarHBondContact CA-O 3.49Å; L352-I518 HydrophobicContact CD1-CD1 4.36Å; L352-I518 HydrophobicContact CD1-CG2 4.4Å; L352-I518 HydrophobicContact CD2-CD1 4.43Å
353	L	97.8	Very high	95.6	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.8	171	-69.4	167.2	0	0	0	110.2	V355 I407 I466 V467 Y469 P488	L353-V355 HydrophobicContact CB-CG1 4.18Å; L353-I407 HydrophobicContact CD1-CD1 4.29Å; L353-I407 HydrophobicContact CD2-CG2 3.91Å; L353-I466 CarbonylContact O-C 3.48Å; L353-I466 WeakPolarHBondContact O-CA 3.45Å; L353-V467 HydrophobicContact CB-CB 4.29Å; L353-V467 PolarHBondContact N-O 3.04Å; L353-V467 PolarHBondContact O-N 3.1Å; L353-Y469 HydrophobicContact CD1-CD1 3.92Å; L353-Y469 HydrophobicContact CD1-CE1 3.6Å; L353-Y469 HydrophobicContact CG-CD1 4.33Å; L353-Y469 HydrophobicContact CG-CE1 3.81Å; L353-P488 HydrophobicContact CD1-CG 3.79Å
354	G	96.9	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.9	162.8	0	0	0	0	0	109.9	L408 T409 L463	G354-L408 WeakPolarHBondContact O-CB 3.23Å; G354-L408 PolarHBondContact O-N 2.63Å; G354-T409 PolarHBondContact N-OG1 3.15Å; G354-L463 VanDerWaalsContact CA-CD1 3.45Å
355	V	96	Very high	94.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.8	-177	-53.2	0	0	0	0	112.3	L353 I405 T406 I407 D464 A465 V467 L499	L353-V355 HydrophobicContact CB-CG1 4.18Å; V355-I405 HydrophobicContact CB-CB 4.25Å; V355-I405 HydrophobicContact CB-CD1 4.49Å; V355-I405 HydrophobicContact CB-CG2 4.45Å; V355-I405 HydrophobicContact CG1-CD1 3.99Å; V355-I405 HydrophobicContact CG2-CG2 4.17Å; V355-T406 WeakPolarHBondContact CA-O 3.49Å; V355-I407 HydrophobicContact CG1-CG1 4.43Å; V355-D464 PolarHBondContact O-N 2.83Å; V355-A465 HydrophobicContact CG2-CB 3.96Å; V355-A465 PolarHBondContact N-O 2.95Å; V355-A465 PolarHBondContact O-N 2.88Å; V355-V467 HydrophobicContact CB-CG2 4.35Å; V355-V467 HydrophobicContact CG1-CB 4.23Å; V355-V467 HydrophobicContact CG1-CG2 3.74Å; V355-V467 HydrophobicContact CG2-CG2 3.61Å; V355-L499 HydrophobicContact CG2-CD1 3.99Å
356	Q	95.3	Very high	94.6	Very high	58 Å²	58	40.9 Å²	40.9	27%	0.271	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.4	160.7	-173.1	170.4	-58.8	0	0	108	I405 T406 L408 E462	Q356-I405 CarbonylContact O-C 3.59Å; Q356-I405 WeakPolarHBondContact O-CA 3.38Å; Q356-T406 PolarHBondContact N-O 2.99Å; Q356-T406 PolarHBondContact O-N 2.83Å; Q356-L408 HydrophobicContact CB-CD1 4.12Å; Q356-L408 HydrophobicContact CB-CD2 4.23Å; Q356-L408 HydrophobicContact CB-CG 4.27Å; Q356-E462 WeakPolarHBondContact CA-O 3.48Å; Q356-E462 WeakPolarHBondContact CB-O 3.33Å; Q356-E462 WeakPolarHBondContact CG-O 3.5Å; Q356-E462 PolarHBondContact OE1-O 3.08Å
357	C	94.1	Very high	94.3	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	151.5	177.6	-69	0	0	0	0	110.2	L361 R362 D464	C357-L361 HydrophobicContact CB-CD2 4.12Å; C357-R362 HydrophobicContact CB-CB 4.32Å; C357-D464 HydrophobicContact CB-CB 3.98Å; C357-D464 PolarHBondContact N-OD2 3.18Å
358	S	91.5	Very high	94	Very high	25 Å²	25	45.6 Å²	45.6	18%	0.175	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-63.9	149.4	167.1	75	0	0	0	0	110.5	Q360 L361 R362 P404	S358-Q360 PolarHBondContact O-N 2.99Å; S358-L361 PolarHBondContact O-N 3.23Å; S358-L361 VanDerWaalsContact O-N 3.09Å; S358-L361 WeakPolarHBondContact OG-CB 3.15Å; S358-L361 PolarHBondContact OG-N 2.97Å; S358-L361 VanDerWaalsContact OG-N 3.11Å; S358-R362 PolarHBondContact O-N 3.31Å; S358-P404 PolarHBondContact N-O 2.9Å
359	E	89.4	Confident	93.8	Very high	157 Å²	157	48.9 Å²	48.9	73%	0.734	22%	0.216	S	C	*	.	H	α-helix	trans	-56.8	-37.3	176.8	-168.3	-170.4	159.8	0	0	110.8	K363	E359-K363 WeakPolarHBondContact O-CB 3.5Å; E359-K363 PolarHBondContact O-N 2.92Å
360	Q	89.7	Confident	93.6	Very high	128 Å²	128	51.2 Å²	51.2	60%	0.598	23%	0.228	S	C	*	.	H	α-helix	trans	-65.7	-43.6	177.3	-59.7	100.1	-1.4	0	0	112.2	S358 R364	S358-Q360 PolarHBondContact O-N 2.99Å; Q360-R364 WeakPolarHBondContact O-CB 3.39Å; Q360-R364 PolarHBondContact O-N 3.3Å
361	L	91.8	Very high	93.3	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-51.6	178.9	174.7	60.8	0	0	0	110.5	C357 S358 K363 R364 R365 L391 L393 P404 I405 L499 F501	C357-L361 HydrophobicContact CB-CD2 4.12Å; S358-L361 PolarHBondContact O-N 3.23Å; S358-L361 VanDerWaalsContact O-N 3.09Å; S358-L361 WeakPolarHBondContact OG-CB 3.15Å; S358-L361 PolarHBondContact OG-N 2.97Å; S358-L361 VanDerWaalsContact OG-N 3.11Å; L361-K363 VanDerWaalsContact C-N 3.35Å; L361-K363 PolarHBondContact O-N 3.15Å; L361-R364 PolarHBondContact O-N 3.09Å; L361-R365 HydrophobicContact CD1-CG 3.97Å; L361-R365 PolarHBondContact O-N 2.86Å; L361-L391 HydrophobicContact CD1-CD1 4.04Å; L361-L393 HydrophobicContact CD2-CD2 4.13Å; L361-P404 HydrophobicContact CD2-CB 4.24Å; L361-I405 HydrophobicContact CD2-CG2 4.11Å; L361-L499 HydrophobicContact CD2-CD2 4.29Å; L361-F501 HydrophobicContact CG-CZ 4.48Å
362	R	92.2	Very high	93	Very high	24 Å²	24	56.1 Å²	56.1	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-40.7	-178.4	-164.8	-177	-162.6	-52	-0.4	111.7	C357 S358 L366 E367 D464 F501 L502 D503	C357-R362 HydrophobicContact CB-CB 4.32Å; S358-R362 PolarHBondContact O-N 3.31Å; R362-L366 WeakPolarHBondContact O-CB 3.25Å; R362-L366 PolarHBondContact O-N 3.15Å; R362-E367 IonicContact CZ-OE1 2.66Å; R362-E367 VanDerWaalsContact NH1-CD 3.33Å; R362-E367 IonicContact NH1-OE1 3.06Å; R362-E367 PolarHBondContact NH1-OE1 3.39Å; R362-E367 PolarHBondContact O-N 3.12Å; R362-E367 VanDerWaalsContact O-N 3.14Å; R362-D464 VanDerWaalsContact CD-OD1 3.29Å; R362-D464 WeakPolarHBondContact CD-OD1 3.16Å; R362-D464 IonicContact NE-OD1 3.79Å; R362-D464 PolarHBondContact NE-OD1 3.45Å; R362-F501 HydrophobicContact CG-CE1 4.36Å; R362-L502 PolarHBondContact NH2-O 2.85Å; R362-D503 PolarHBondContact NH2-O 2.8Å
363	K	92.1	Very high	92.8	Very high	125 Å²	125	62.1 Å²	62.1	54%	0.543	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-47.2	175.6	-175.6	177.7	-179.8	177.1	0	112.1	E359 L361 R365 E367 H368	E359-K363 WeakPolarHBondContact O-CB 3.5Å; E359-K363 PolarHBondContact O-N 2.92Å; L361-K363 VanDerWaalsContact C-N 3.35Å; L361-K363 PolarHBondContact O-N 3.15Å; K363-R365 VanDerWaalsContact C-N 3.34Å; K363-R365 PolarHBondContact O-N 2.89Å; K363-E367 PolarHBondContact O-N 3.03Å; K363-H368 VanDerWaalsContact O-CB 3.23Å; K363-H368 WeakPolarHBondContact O-CB 3.21Å; K363-H368 PolarHBondContact O-N 2.84Å
364	R	90.6	Very high	92.6	Very high	165 Å²	165	65 Å²	65	62%	0.623	31%	0.308	S	S	*	.	H	α-helix	trans	-64.2	-37.5	-178	-175.9	177.3	65.4	-175.6	-0.7	112.6	Q360 L361	Q360-R364 WeakPolarHBondContact O-CB 3.39Å; Q360-R364 PolarHBondContact O-N 3.3Å; L361-R364 PolarHBondContact O-N 3.09Å
365	R	91.2	Very high	92.5	Very high	92 Å²	92	72.9 Å²	72.9	35%	0.347	34%	0.34	S	S	.	.	H	α-helix	trans	-91.2	-35	-175.1	-64.9	-63.9	-176	-171.3	0.6	113.8	L361 K363 W369 F501	L361-R365 HydrophobicContact CD1-CG 3.97Å; L361-R365 PolarHBondContact O-N 2.86Å; K363-R365 VanDerWaalsContact C-N 3.34Å; K363-R365 PolarHBondContact O-N 2.89Å; R365-W369 PolarHBondContact O-NE1 2.88Å; R365-F501 HydrophobicContact CB-CE2 3.69Å; R365-F501 HydrophobicContact CB-CZ 3.84Å; R365-F501 HydrophobicContact CG-CE2 4.26Å; R365-F501 HydrophobicContact CG-CZ 4.3Å
366	L	91.1	Very high	92.5	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-57.9	-173.8	-68.3	-179	0	0	0	114	R362 H368 W369 A384 L385 F501	R362-L366 WeakPolarHBondContact O-CB 3.25Å; R362-L366 PolarHBondContact O-N 3.15Å; L366-H368 VanDerWaalsContact C-N 3.27Å; L366-H368 PolarHBondContact O-N 2.91Å; L366-W369 VanDerWaalsContact O-CD1 3.24Å; L366-W369 PolarHBondContact O-N 3.33Å; L366-A384 HydrophobicContact CD2-CB 3.91Å; L366-L385 HydrophobicContact CD1-CD2 3.69Å; L366-L385 HydrophobicContact CD2-CD2 3.71Å; L366-L385 HydrophobicContact CD2-CG 3.83Å; L366-L385 HydrophobicContact CG-CD2 4.35Å; L366-F501 HydrophobicContact CD1-CB 3.58Å; L366-F501 HydrophobicContact CD1-CD1 3.52Å; L366-F501 HydrophobicContact CD1-CD2 3.83Å; L366-F501 HydrophobicContact CD1-CE1 4.07Å; L366-F501 HydrophobicContact CD1-CE2 4.35Å; L366-F501 HydrophobicContact CD1-CG 3.38Å; L366-F501 HydrophobicContact CD1-CZ 4.45Å; L366-F501 HydrophobicContact CD2-CD2 4.26Å; L366-F501 HydrophobicContact CG-CB 4.49Å; L366-F501 HydrophobicContact CG-CD1 4.34Å; L366-F501 HydrophobicContact CG-CD2 3.95Å; L366-F501 HydrophobicContact CG-CE2 4.18Å; L366-F501 HydrophobicContact CG-CG 4.04Å; L366-F501 HydrophobicContact CG-CZ 4.46Å
367	E	91.8	Very high	92.5	Very high	64 Å²	64	78 Å²	78	30%	0.299	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-76	-15.8	-166.6	-57.9	-62.9	129.2	0	0	113.4	R362 K363 W369 N370 R381	R362-E367 IonicContact CZ-OE1 2.66Å; R362-E367 VanDerWaalsContact NH1-CD 3.33Å; R362-E367 IonicContact NH1-OE1 3.06Å; R362-E367 PolarHBondContact NH1-OE1 3.39Å; R362-E367 PolarHBondContact O-N 3.12Å; R362-E367 VanDerWaalsContact O-N 3.14Å; K363-E367 PolarHBondContact O-N 3.03Å; E367-W369 PolarHBondContact O-N 2.84Å; E367-N370 WeakPolarHBondContact O-CB 3.24Å; E367-N370 PolarHBondContact O-N 2.93Å; E367-N370 PolarHBondContact OE2-ND2 2.91Å; E367-R381 IonicContact OE1-CZ 3.74Å; E367-R381 IonicContact OE1-NE 3.97Å; E367-R381 IonicContact OE1-NH2 3.87Å; E367-R381 PolarHBondContact OE1-NH2 2.81Å
368	H	91.6	Very high	92.5	Very high	80 Å²	80	80.5 Å²	80.5	37%	0.37	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-53.2	-36.9	171.6	178.7	64.9	0	0	0	111.8	K363 L366 N370 N371 V372	K363-H368 VanDerWaalsContact O-CB 3.23Å; K363-H368 WeakPolarHBondContact O-CB 3.21Å; K363-H368 PolarHBondContact O-N 2.84Å; L366-H368 VanDerWaalsContact C-N 3.27Å; L366-H368 PolarHBondContact O-N 2.91Å; H368-N370 PolarHBondContact O-N 2.87Å; H368-N371 CarbonylContact O-C 3.01Å; H368-N371 VanDerWaalsContact O-C 3.26Å; H368-N371 PolarHBondContact O-N 3.44Å; H368-N371 VanDerWaalsContact O-N 3.15Å; H368-V372 VanDerWaalsContact O-CG2 3.23Å; H368-V372 WeakPolarHBondContact O-CG2 3.27Å
369	W	93.3	Very high	92.7	Very high	71 Å²	71	82 Å²	82	27%	0.269	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-68	-18	-179.6	-59.1	118.2	0	0	0	114.2	R365 L366 E367 N371 V372 M377 L380 R381	R365-W369 PolarHBondContact O-NE1 2.88Å; L366-W369 VanDerWaalsContact O-CD1 3.24Å; L366-W369 PolarHBondContact O-N 3.33Å; E367-W369 PolarHBondContact O-N 2.84Å; W369-N371 VanDerWaalsContact C-N 3.28Å; W369-V372 HydrophobicContact CE3-CG2 4.02Å; W369-M377 HydrophobicContact CE3-CB 4.27Å; W369-M377 HydrophobicContact CE3-SD 4.17Å; W369-M377 HydrophobicContact CZ3-SD 4.22Å; W369-M377 PolarHBondContact O-N 2.81Å; W369-L380 HydrophobicContact CD2-CB 3.73Å; W369-L380 HydrophobicContact CE3-CB 3.56Å; W369-L380 HydrophobicContact CE3-CD1 3.66Å; W369-L380 HydrophobicContact CE3-CG 4.26Å; W369-L380 HydrophobicContact CG-CB 4.27Å; W369-L380 HydrophobicContact CH2-CB 4.35Å; W369-L380 HydrophobicContact CH2-CD1 4.01Å; W369-L380 HydrophobicContact CZ2-CB 4.49Å; W369-L380 HydrophobicContact CZ3-CB 3.91Å; W369-L380 HydrophobicContact CZ3-CD1 3.31Å; W369-L380 HydrophobicContact CZ3-CG 4.22Å; W369-R381 HydrophobicContact CB-CB 3.66Å; W369-R381 HydrophobicContact CB-CG 4.32Å; W369-R381 HydrophobicContact CG-CB 4.31Å
370	N	93.3	Very high	92.9	Very high	60 Å²	60	78.4 Å²	78.4	32%	0.321	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-74.7	-20.7	175.5	-75.5	-30.7	0	0	0	112.7	E367 H368 R381	E367-N370 WeakPolarHBondContact O-CB 3.24Å; E367-N370 PolarHBondContact O-N 2.93Å; E367-N370 PolarHBondContact OE2-ND2 2.91Å; H368-N370 PolarHBondContact O-N 2.87Å; N370-R381 WeakPolarHBondContact OD1-CD 3.09Å
371	N	93.1	Very high	93.1	Very high	105 Å²	105	74.1 Å²	74.1	56%	0.561	36%	0.361	S	S	*	.			trans	-154.1	85.9	178.8	-174.3	-3.4	0	0	0	111.1	H368 W369 G374 Y375	H368-N371 CarbonylContact O-C 3.01Å; H368-N371 VanDerWaalsContact O-C 3.26Å; H368-N371 PolarHBondContact O-N 3.44Å; H368-N371 VanDerWaalsContact O-N 3.15Å; W369-N371 VanDerWaalsContact C-N 3.28Å; N371-G374 WeakPolarHBondContact OD1-CA 3.3Å; N371-G374 PolarHBondContact OD1-N 3.22Å; N371-Y375 WeakPolarHBondContact CA-O 3.47Å
372	V	92.8	Very high	93.2	Very high	7 Å²	7	80.9 Å²	80.9	4%	0.042	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-98	101.8	172.1	-177.7	0	0	0	0	107.5	H368 W369 G374 Y375 M377	H368-V372 VanDerWaalsContact O-CG2 3.23Å; H368-V372 WeakPolarHBondContact O-CG2 3.27Å; W369-V372 HydrophobicContact CE3-CG2 4.02Å; V372-G374 PolarHBondContact O-N 3.37Å; V372-Y375 PolarHBondContact N-O 3.38Å; V372-Y375 WeakPolarHBondContact O-CB 3.39Å; V372-Y375 PolarHBondContact O-N 2.83Å; V372-M377 HydrophobicContact CB-CE 3.77Å; V372-M377 HydrophobicContact CB-CG 4.34Å; V372-M377 HydrophobicContact CB-SD 3.84Å; V372-M377 HydrophobicContact CG1-CE 3.66Å; V372-M377 HydrophobicContact CG1-SD 4.03Å; V372-M377 HydrophobicContact CG2-CE 4.34Å; V372-M377 HydrophobicContact CG2-CG 4.19Å; V372-M377 HydrophobicContact CG2-SD 3.72Å
373	Y	93	Very high	93.2	Very high	126 Å²	126	82.6 Å²	82.6	49%	0.494	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	33.1	-176.9	-61.2	-81.9	0	0	0	115	M151	M151-Y373 HydrophobicContact CG-CE2 4.41Å
374	G	93.6	Very high	93.3	Very high	63 Å²	63	77 Å²	77	65%	0.649	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	-4.8	-177	0	0	0	0	0	114.6	N371 V372	N371-G374 WeakPolarHBondContact OD1-CA 3.3Å; N371-G374 PolarHBondContact OD1-N 3.22Å; V372-G374 PolarHBondContact O-N 3.37Å
375	Y	95.1	Very high	93.5	Very high	167 Å²	167	69.7 Å²	69.7	66%	0.655	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-105.8	137.2	-179.7	-57.6	-82	0	0	0	111.7	N371 V372	N371-Y375 WeakPolarHBondContact CA-O 3.47Å; V372-Y375 PolarHBondContact N-O 3.38Å; V372-Y375 WeakPolarHBondContact O-CB 3.39Å; V372-Y375 PolarHBondContact O-N 2.83Å
376	N	95.6	Very high	93.6	Very high	99 Å²	99	67.9 Å²	67.9	53%	0.529	36%	0.358	S	S	.	.			trans	-86.6	129.1	172.1	-171	-21.6	0	0	0	109.6	P378	N376-P378 VanDerWaalsContact C-CD 3.4Å; N376-P378 VanDerWaalsContact O-CD 3.23Å; N376-P378 WeakPolarHBondContact O-CD 3.39Å; N376-P378 WeakPolarHBondContact OD1-CD 3.28Å
377	M	96	Very high	93.8	Very high	65 Å²	65	72.9 Å²	72.9	32%	0.32	38%	0.381	S	S	.	.			trans	-116.1	67.4	179.5	-61.2	-172.5	174.8	0	0	110.6	W369 V372 A379 L380 R381	W369-M377 HydrophobicContact CE3-CB 4.27Å; W369-M377 HydrophobicContact CE3-SD 4.17Å; W369-M377 HydrophobicContact CZ3-SD 4.22Å; W369-M377 PolarHBondContact O-N 2.81Å; V372-M377 HydrophobicContact CB-CE 3.77Å; V372-M377 HydrophobicContact CB-CG 4.34Å; V372-M377 HydrophobicContact CB-SD 3.84Å; V372-M377 HydrophobicContact CG1-CE 3.66Å; V372-M377 HydrophobicContact CG1-SD 4.03Å; V372-M377 HydrophobicContact CG2-CE 4.34Å; V372-M377 HydrophobicContact CG2-CG 4.19Å; V372-M377 HydrophobicContact CG2-SD 3.72Å; M377-A379 VanDerWaalsContact C-N 3.28Å; M377-A379 PolarHBondContact O-N 3.49Å; M377-L380 HydrophobicContact CB-CB 4.21Å; M377-L380 HydrophobicContact CB-CD1 4.03Å; M377-L380 HydrophobicContact CB-CG 4.27Å; M377-L380 HydrophobicContact CG-CD1 4.41Å; M377-L380 PolarHBondContact O-N 2.98Å; M377-L380 VanDerWaalsContact O-N 3.1Å; M377-L380 HydrophobicContact SD-CD1 3.65Å; M377-R381 PolarHBondContact O-N 2.63Å
378	P	94.5	Very high	94.1	Very high	62 Å²	62	70 Å²	70	40%	0.403	37%	0.368	S	S	.	.	H	α-helix	trans	-67.9	-26.2	-168.5	28.7	-36.5	0	0	0	113.4	N376 R382	N376-P378 VanDerWaalsContact C-CD 3.4Å; N376-P378 VanDerWaalsContact O-CD 3.23Å; N376-P378 WeakPolarHBondContact O-CD 3.39Å; N376-P378 WeakPolarHBondContact OD1-CD 3.28Å; P378-R382 WeakPolarHBondContact O-CG 3.45Å; P378-R382 PolarHBondContact O-N 2.96Å; P378-R382 PolarHBondContact O-NH1 3.27Å
379	A	94.2	Very high	94.2	Very high	58 Å²	58	66.8 Å²	66.8	48%	0.479	35%	0.353	S	S	.	.	H	α-helix	trans	-67.1	-42.2	174.2	0	0	0	0	0	111.7	M377 R382 A383	M377-A379 VanDerWaalsContact C-N 3.28Å; M377-A379 PolarHBondContact O-N 3.49Å; A379-R382 PolarHBondContact O-N 2.87Å; A379-A383 PolarHBondContact O-N 3.03Å
380	L	93.7	Very high	94.3	Very high	80 Å²	80	65.3 Å²	65.3	42%	0.419	35%	0.352	S	S	.	.	H	α-helix	trans	-69.1	-37.3	176.3	-59.4	-178.5	0	0	0	111.2	W369 M377 R382 A383 A384	W369-L380 HydrophobicContact CD2-CB 3.73Å; W369-L380 HydrophobicContact CE3-CB 3.56Å; W369-L380 HydrophobicContact CE3-CD1 3.66Å; W369-L380 HydrophobicContact CE3-CG 4.26Å; W369-L380 HydrophobicContact CG-CB 4.27Å; W369-L380 HydrophobicContact CH2-CB 4.35Å; W369-L380 HydrophobicContact CH2-CD1 4.01Å; W369-L380 HydrophobicContact CZ2-CB 4.49Å; W369-L380 HydrophobicContact CZ3-CB 3.91Å; W369-L380 HydrophobicContact CZ3-CD1 3.31Å; W369-L380 HydrophobicContact CZ3-CG 4.22Å; M377-L380 HydrophobicContact CB-CB 4.21Å; M377-L380 HydrophobicContact CB-CD1 4.03Å; M377-L380 HydrophobicContact CB-CG 4.27Å; M377-L380 HydrophobicContact CG-CD1 4.41Å; M377-L380 PolarHBondContact O-N 2.98Å; M377-L380 VanDerWaalsContact O-N 3.1Å; M377-L380 HydrophobicContact SD-CD1 3.65Å; L380-R382 PolarHBondContact O-N 3.26Å; L380-A383 PolarHBondContact O-N 3.41Å; L380-A384 WeakPolarHBondContact O-CB 3.35Å; L380-A384 PolarHBondContact O-N 3Å
381	R	94.5	Very high	94.4	Very high	39 Å²	39	63.2 Å²	63.2	15%	0.147	34%	0.341	C	S	.	.	H	α-helix	trans	-59.1	-45.3	171.5	-170.7	175.6	174.6	-78.9	-1.2	112.1	E367 W369 N370 M377 A384 L385 D503	E367-R381 IonicContact OE1-CZ 3.74Å; E367-R381 IonicContact OE1-NE 3.97Å; E367-R381 IonicContact OE1-NH2 3.87Å; E367-R381 PolarHBondContact OE1-NH2 2.81Å; W369-R381 HydrophobicContact CB-CB 3.66Å; W369-R381 HydrophobicContact CB-CG 4.32Å; W369-R381 HydrophobicContact CG-CB 4.31Å; N370-R381 WeakPolarHBondContact OD1-CD 3.09Å; M377-R381 PolarHBondContact O-N 2.63Å; R381-A384 PolarHBondContact O-N 3.47Å; R381-L385 VanDerWaalsContact NH1-CD1 3.26Å; R381-L385 PolarHBondContact O-N 3.32Å; R381-D503 IonicContact CZ-OD1 2.81Å; R381-D503 IonicContact NH1-OD1 2.94Å; R381-D503 PolarHBondContact NH1-OD1 2.84Å; R381-D503 PolarHBondContact NH2-O 3.06Å; R381-D503 IonicContact NH2-OD1 3.29Å; R381-D503 PolarHBondContact NH2-OD1 2.79Å
382	R	94.1	Very high	94.3	Very high	146 Å²	146	61.5 Å²	61.5	55%	0.551	33%	0.332	S	S	*	.	H	α-helix	trans	-64	-42.5	177.4	-76	-169.9	-57.7	-85.3	1.9	111.8	P378 A379 L380 A384 L385 S386	P378-R382 WeakPolarHBondContact O-CG 3.45Å; P378-R382 PolarHBondContact O-N 2.96Å; P378-R382 PolarHBondContact O-NH1 3.27Å; A379-R382 PolarHBondContact O-N 2.87Å; L380-R382 PolarHBondContact O-N 3.26Å; R382-A384 VanDerWaalsContact C-N 3.35Å; R382-A384 PolarHBondContact O-N 2.87Å; R382-L385 PolarHBondContact O-N 2.98Å; R382-S386 PolarHBondContact O-N 3.29Å; R382-S386 PolarHBondContact O-OG 3.03Å
383	A	92.8	Very high	94.3	Very high	60 Å²	60	61.3 Å²	61.3	50%	0.496	33%	0.33	S	S	.	.	H	α-helix	trans	-58.7	-46.6	174.9	0	0	0	0	0	111.4	A379 L380 L385 S386 E387	A379-A383 PolarHBondContact O-N 3.03Å; L380-A383 PolarHBondContact O-N 3.41Å; A383-L385 VanDerWaalsContact C-N 3.27Å; A383-L385 PolarHBondContact O-N 2.95Å; A383-S386 CarbonylContact O-C 3.59Å; A383-S386 PolarHBondContact O-N 2.82Å; A383-S386 VanDerWaalsContact O-N 3.09Å; A383-E387 PolarHBondContact O-N 2.88Å; A383-E387 VanDerWaalsContact O-N 3.12Å
384	A	93	Very high	94	Very high	7 Å²	7	55.8 Å²	55.8	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-27.8	176.9	0	0	0	0	0	113.8	L366 L380 R381 R382 H389	L366-A384 HydrophobicContact CD2-CB 3.91Å; L380-A384 WeakPolarHBondContact O-CB 3.35Å; L380-A384 PolarHBondContact O-N 3Å; R381-A384 PolarHBondContact O-N 3.47Å; R382-A384 VanDerWaalsContact C-N 3.35Å; R382-A384 PolarHBondContact O-N 2.87Å; A384-H389 PolarHBondContact O-NE2 2.93Å
385	L	94.6	Very high	93.1	Very high	13 Å²	13	57.3 Å²	57.3	7%	0.068	30%	0.303	C	S	.	.	H	α-helix	trans	-77.8	-25.7	173.4	-81	172.5	0	0	0	113.6	L366 R381 R382 A383 F501 D503 F549	L366-L385 HydrophobicContact CD1-CD2 3.69Å; L366-L385 HydrophobicContact CD2-CD2 3.71Å; L366-L385 HydrophobicContact CD2-CG 3.83Å; L366-L385 HydrophobicContact CG-CD2 4.35Å; R381-L385 VanDerWaalsContact NH1-CD1 3.26Å; R381-L385 PolarHBondContact O-N 3.32Å; R382-L385 PolarHBondContact O-N 2.98Å; A383-L385 VanDerWaalsContact C-N 3.27Å; A383-L385 PolarHBondContact O-N 2.95Å; L385-F501 HydrophobicContact CD2-CB 4.2Å; L385-D503 HydrophobicContact CD1-CB 4.05Å; L385-D503 VanDerWaalsContact CD1-OD1 3.25Å; L385-D503 WeakPolarHBondContact CD1-OD1 3.25Å; L385-D503 HydrophobicContact CD2-CB 4.41Å; L385-F549 WeakPolarHBondContact O-CD1 3.34Å; L385-F549 WeakPolarHBondContact O-CE1 3.23Å
386	S	95	Very high	91.5	Very high	54 Å²	54	52.6 Å²	52.6	38%	0.378	29%	0.287	S	S	.	.	S	Bend	trans	-91	0.5	176.6	-68.7	0	0	0	0	112.6	R382 A383 F549 D550	R382-S386 PolarHBondContact O-N 3.29Å; R382-S386 PolarHBondContact O-OG 3.03Å; A383-S386 CarbonylContact O-C 3.59Å; A383-S386 PolarHBondContact O-N 2.82Å; A383-S386 VanDerWaalsContact O-N 3.09Å; S386-F549 CarbonylContact O-C 3.59Å; S386-F549 VanDerWaalsContact O-CA 3.23Å; S386-F549 WeakPolarHBondContact O-CA 3.4Å; S386-D550 PolarHBondContact O-N 3.45Å
387	E	94.8	Very high	89.6	Confident	105 Å²	105	56.7 Å²	56.7	49%	0.491	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-98.2	135.1	176.1	-174.3	179.8	177	0	0	109.8	A383 H389	A383-E387 PolarHBondContact O-N 2.88Å; A383-E387 VanDerWaalsContact O-N 3.12Å; E387-H389 PolarHBondContact O-CD2 3.39Å; E387-H389 PolarHBondContact O-NE2 3.1Å
388	A	96.8	Very high	87.5	Confident	4 Å²	4	57.8 Å²	57.8	3%	0.033	31%	0.312	C	S	.	.			trans	-81.7	118.1	168.6	0	0	0	0	0	109.6	T498 L500 I532 F549 D550 L551	A388-T498 HydrophobicContact CB-CG2 3.84Å; A388-L500 HydrophobicContact CB-CD2 3.7Å; A388-I532 HydrophobicContact CB-CD1 4.48Å; A388-F549 HydrophobicContact CB-CB 4.15Å; A388-D550 PolarHBondContact N-O 3.42Å; A388-L551 HydrophobicContact CB-CB 3.92Å; A388-L551 HydrophobicContact CB-CD1 4.06Å; A388-L551 HydrophobicContact CB-CG 4.49Å
389	H	95	Very high	85.5	Confident	11 Å²	11	61.6 Å²	61.6	5%	0.051	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.8	-171.4	-62.9	-103.8	0	0	0	111.1	A384 E387 L391 T498 L499 F501	A384-H389 PolarHBondContact O-NE2 2.93Å; E387-H389 PolarHBondContact O-CD2 3.39Å; E387-H389 PolarHBondContact O-NE2 3.1Å; H389-L391 HydrophobicContact CB-CD1 3.82Å; H389-L391 HydrophobicContact CB-CD2 4.49Å; H389-L391 HydrophobicContact CB-CG 3.87Å; H389-L391 PolarHBondContact O-N 3.02Å; H389-T498 CarbonylContact O-C 3.54Å; H389-T498 WeakPolarHBondContact O-CA 3.37Å; H389-L499 HydrophobicContact CB-CB 4.24Å; H389-L499 PolarHBondContact N-O 3.04Å; H389-L499 PolarHBondContact O-N 3.41Å; H389-F501 AromaticContact CD2-CD2 3.61Å; H389-F501 AromaticContact CD2-CE2 3.85Å; H389-F501 AromaticContact NE2-CD2 3.85Å
390	V	95.7	Very high	83.5	Confident	40 Å²	40	63.5 Å²	63.5	24%	0.242	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	109.3	170.9	-178.7	0	0	0	0	109.6	Y318 K496 Q497 L551	Y318-V390 HydrophobicContact CD1-CG1 3.63Å; Y318-V390 HydrophobicContact CD1-CG2 4.17Å; Y318-V390 HydrophobicContact CD2-CG2 3.93Å; Y318-V390 HydrophobicContact CE1-CG1 3.67Å; Y318-V390 HydrophobicContact CE2-CG2 4.47Å; Y318-V390 HydrophobicContact CG-CG1 4.1Å; Y318-V390 HydrophobicContact CG-CG2 3.76Å; V390-K496 HydrophobicContact CG1-CB 3.98Å; V390-K496 HydrophobicContact CG1-CD 4.21Å; V390-Q497 CarbonylContact C-O 3.5Å; V390-Q497 WeakPolarHBondContact CA-O 3.26Å; V390-L551 HydrophobicContact CG2-CD1 3.66Å
391	L	93.9	Very high	81.8	Confident	16 Å²	16	63.9 Å²	63.9	8%	0.084	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142	-170.5	-60.4	176.7	0	0	0	111.4	L361 H389 L393 K496 Q497 L499	L361-L391 HydrophobicContact CD1-CD1 4.04Å; H389-L391 HydrophobicContact CB-CD1 3.82Å; H389-L391 HydrophobicContact CB-CD2 4.49Å; H389-L391 HydrophobicContact CB-CG 3.87Å; H389-L391 PolarHBondContact O-N 3.02Å; L391-L393 HydrophobicContact CB-CD2 3.85Å; L391-L393 HydrophobicContact CB-CG 4.18Å; L391-L393 HydrophobicContact CD1-CD2 4.36Å; L391-L393 PolarHBondContact O-N 3.01Å; L391-L393 VanDerWaalsContact O-N 3.15Å; L391-K496 WeakPolarHBondContact O-CB 3.21Å; L391-Q497 PolarHBondContact N-O 2.87Å; L391-Q497 PolarHBondContact O-N 3.35Å; L391-Q497 PolarHBondContact O-OE1 2.76Å; L391-L499 HydrophobicContact CD1-CB 4.42Å; L391-L499 HydrophobicContact CD1-CD2 3.81Å
392	N	92.7	Very high	80.6	Confident	70 Å²	70	67.5 Å²	67.5	37%	0.374	37%	0.37	S	S	.	.			trans	-68.2	109.2	162.5	178.6	2.1	0	0	0	108.7	T394 L492 K496	N392-T394 PolarHBondContact OD1-N 2.78Å; N392-T394 PolarHBondContact OD1-OG1 2.79Å; N392-L492 HydrophobicContact CB-CD1 4.05Å; N392-L492 WeakPolarHBondContact ND2-CD2 3.31Å; N392-L492 WeakPolarHBondContact OD1-CD1 3.08Å; N392-K496 HydrophobicContact CB-CG 4.41Å
393	L	92.4	Very high	79.8	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.016	36%	0.358	C	S	.	.			trans	-109.4	9	174.8	-54	179.5	0	0	0	112.2	L361 L391 P404 I405 V467 P488 Q497 L499	L361-L393 HydrophobicContact CD2-CD2 4.13Å; L391-L393 HydrophobicContact CB-CD2 3.85Å; L391-L393 HydrophobicContact CB-CG 4.18Å; L391-L393 HydrophobicContact CD1-CD2 4.36Å; L391-L393 PolarHBondContact O-N 3.01Å; L391-L393 VanDerWaalsContact O-N 3.15Å; L393-P404 HydrophobicContact CB-CG 4.4Å; L393-P404 HydrophobicContact CD2-CB 4.47Å; L393-P404 HydrophobicContact CD2-CG 4.29Å; L393-I405 HydrophobicContact CB-CD1 3.9Å; L393-I405 HydrophobicContact CB-CG1 4.26Å; L393-I405 HydrophobicContact CD1-CD1 4.22Å; L393-I405 HydrophobicContact CD1-CG2 4.35Å; L393-I405 HydrophobicContact CD2-CG2 4.13Å; L393-V467 HydrophobicContact CD1-CG1 4.19Å; L393-V467 HydrophobicContact CD1-CG2 3.65Å; L393-P488 HydrophobicContact CB-CB 4.19Å; L393-Q497 HydrophobicContact CB-CB 4.48Å; L393-Q497 HydrophobicContact CD1-CB 3.92Å; L393-Q497 HydrophobicContact CG-CB 4.22Å; L393-L499 HydrophobicContact CD1-CB 4.37Å; L393-L499 HydrophobicContact CD1-CD1 4.06Å
394	T	87	Confident	79.5	Confident	9 Å²	9	60.9 Å²	60.9	6%	0.055	34%	0.343	C	S	.	.	S	Bend	trans	-74.4	153.8	176.9	70.6	0	0	0	0	111.3	N392 E396 P488 L492	N392-T394 PolarHBondContact OD1-N 2.78Å; N392-T394 PolarHBondContact OD1-OG1 2.79Å; T394-E396 VanDerWaalsContact C-N 3.27Å; T394-E396 PolarHBondContact O-N 3.08Å; T394-E396 VanDerWaalsContact O-N 3.08Å; T394-E396 WeakPolarHBondContact OG1-CG 3.43Å; T394-P488 WeakPolarHBondContact CA-O 3.31Å; T394-L492 HydrophobicContact CG2-CB 4.26Å; T394-L492 HydrophobicContact CG2-CD1 4.02Å
395	N	74.4	Confident	79.5	Confident	96 Å²	96	60.9 Å²	60.9	51%	0.513	34%	0.341	S	S	.	.			trans	-83.4	67.8	174.8	-79.6	-30.2	0	0	0	111	S403	N395-S403 WeakPolarHBondContact OD1-CA 3.5Å; N395-S403 WeakPolarHBondContact OD1-CB 3.31Å; N395-S403 PolarHBondContact OD1-OG 2.81Å
396	E	61.9	Low	79.4	Confident	68 Å²	68	62 Å²	62	32%	0.318	35%	0.349	S	S	.	.			trans	-110.6	133	-178.5	-74.4	-174.6	-177.4	0	0	114.3	T394 V398 P491 L492	T394-E396 VanDerWaalsContact C-N 3.27Å; T394-E396 PolarHBondContact O-N 3.08Å; T394-E396 VanDerWaalsContact O-N 3.08Å; T394-E396 WeakPolarHBondContact OG1-CG 3.43Å; E396-V398 PolarHBondContact O-N 2.8Å; E396-P491 WeakPolarHBondContact OE1-CA 3.37Å; E396-L492 WeakPolarHBondContact OE1-CB 3Å; E396-L492 PolarHBondContact OE1-N 2.8Å; E396-L492 VanDerWaalsContact OE2-CB 3.22Å; E396-L492 WeakPolarHBondContact OE2-CB 3.09Å
397	H	54.1	Low	79.4	Confident	185 Å²	185	62 Å²	62	86%	0.856	34%	0.344	S	S	*	.	S	Bend	trans	49.7	26.8	157.3	-60.5	-59.6	0	0	0	120.5
398	V	52.8	Low	79.4	Confident	87 Å²	87	57 Å²	57	53%	0.527	32%	0.321	S	S	.	.			trans	-102.6	136.8	158.2	-171.7	0	0	0	0	108.8	E396 P400 P401	E396-V398 PolarHBondContact O-N 2.8Å; V398-P400 VanDerWaalsContact C-C 3.48Å; V398-P400 CarbonylContact C-O 3.59Å; V398-P400 WeakPolarHBondContact CG1-O 3.36Å; V398-P400 CarbonylContact O-C 3.39Å; V398-P401 WeakPolarHBondContact O-CA 3.22Å; V398-P401 VanDerWaalsContact O-CD 3.31Å; V398-P401 WeakPolarHBondContact O-CD 3.18Å
399	T	51.4	Low	79.4	Confident	143 Å²	143	57 Å²	57	88%	0.877	32%	0.32	S	S	*	.	S	Bend	trans	-110.5	112.5	169.9	36.1	0	0	0	0	109.7
400	P	52.9	Low	79.3	Confident	98 Å²	98	62.2 Å²	62.2	64%	0.636	35%	0.345	S	S	*	.	S	Bend	cis	-74.4	152.7	-4.9	32.1	-33	0	0	0	111.9	V398 I402	V398-P400 VanDerWaalsContact C-C 3.48Å; V398-P400 CarbonylContact C-O 3.59Å; V398-P400 WeakPolarHBondContact CG1-O 3.36Å; V398-P400 CarbonylContact O-C 3.39Å; P400-I402 PolarHBondContact O-N 3.17Å
401	P	58.3	Low	79.4	Confident	87 Å²	87	63.2 Å²	63.2	57%	0.565	35%	0.353	S	S	*	.			trans	-67.2	108.8	178.4	23.8	-31	0	0	0	108.2	V398 S403	V398-P401 WeakPolarHBondContact O-CA 3.22Å; V398-P401 VanDerWaalsContact O-CD 3.31Å; V398-P401 WeakPolarHBondContact O-CD 3.18Å; P401-S403 PolarHBondContact O-N 2.77Å
402	I	68.3	Low	79.6	Confident	115 Å²	115	64.7 Å²	64.7	59%	0.59	36%	0.359	S	S	*	.			trans	-89.9	98.8	171.3	-57.9	175	0	0	0	105.9	P400	P400-I402 PolarHBondContact O-N 3.17Å
403	S	77.5	Confident	79.8	Confident	41 Å²	41	66.6 Å²	66.6	29%	0.287	37%	0.366	S	S	.	.			trans	-58.1	125.8	175.1	-170.1	0	0	0	0	109.7	N395 P401 I405	N395-S403 WeakPolarHBondContact OD1-CA 3.5Å; N395-S403 WeakPolarHBondContact OD1-CB 3.31Å; N395-S403 PolarHBondContact OD1-OG 2.81Å; P401-S403 PolarHBondContact O-N 2.77Å; S403-I405 WeakPolarHBondContact CB-O 3.45Å; S403-I405 PolarHBondContact O-N 3.08Å; S403-I405 PolarHBondContact OG-O 2.82Å
404	P	87.4	Confident	80	Confident	27 Å²	27	66.9 Å²	66.9	18%	0.175	37%	0.367	C	S	.	.	S	Bend	trans	-69.6	-16.3	177.7	28.8	-33.6	0	0	0	111.9	S358 L361 L393	S358-P404 PolarHBondContact N-O 2.9Å; L361-P404 HydrophobicContact CD2-CB 4.24Å; L393-P404 HydrophobicContact CB-CG 4.4Å; L393-P404 HydrophobicContact CD2-CB 4.47Å; L393-P404 HydrophobicContact CD2-CG 4.29Å
405	I	92.6	Very high	80.4	Confident	6 Å²	6	67.5 Å²	67.5	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156	-177.8	57.7	163.6	0	0	0	112.3	V355 Q356 L361 L393 S403 I407 P488	V355-I405 HydrophobicContact CB-CB 4.25Å; V355-I405 HydrophobicContact CB-CD1 4.49Å; V355-I405 HydrophobicContact CB-CG2 4.45Å; V355-I405 HydrophobicContact CG1-CD1 3.99Å; V355-I405 HydrophobicContact CG2-CG2 4.17Å; Q356-I405 CarbonylContact O-C 3.59Å; Q356-I405 WeakPolarHBondContact O-CA 3.38Å; L361-I405 HydrophobicContact CD2-CG2 4.11Å; L393-I405 HydrophobicContact CB-CD1 3.9Å; L393-I405 HydrophobicContact CB-CG1 4.26Å; L393-I405 HydrophobicContact CD1-CD1 4.22Å; L393-I405 HydrophobicContact CD1-CG2 4.35Å; L393-I405 HydrophobicContact CD2-CG2 4.13Å; S403-I405 WeakPolarHBondContact CB-O 3.45Å; S403-I405 PolarHBondContact O-N 3.08Å; S403-I405 PolarHBondContact OG-O 2.82Å; I405-I407 HydrophobicContact CD1-CG1 4.22Å; I405-P488 HydrophobicContact CD1-CB 4.03Å; I405-P488 HydrophobicContact CD1-CG 4.21Å
406	T	93.2	Very high	81.4	Confident	36 Å²	36	65.9 Å²	65.9	22%	0.221	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.2	162.1	-59.1	0	0	0	0	107.6	V355 Q356 L408	V355-T406 WeakPolarHBondContact CA-O 3.49Å; Q356-T406 PolarHBondContact N-O 2.99Å; Q356-T406 PolarHBondContact O-N 2.83Å; T406-L408 HydrophobicContact CG2-CD2 4.19Å; T406-L408 PolarHBondContact O-N 2.85Å
407	I	94.7	Very high	83	Confident	54 Å²	54	63.7 Å²	63.7	28%	0.277	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	122	177.2	-61.4	172.5	0	0	0	108.4	L353 V355 I405 T409 P488 T489	L353-I407 HydrophobicContact CD1-CD1 4.29Å; L353-I407 HydrophobicContact CD2-CG2 3.91Å; V355-I407 HydrophobicContact CG1-CG1 4.43Å; I405-I407 HydrophobicContact CD1-CG1 4.22Å; I407-T409 VanDerWaalsContact CG2-O 3.26Å; I407-T409 WeakPolarHBondContact CG2-O 3.1Å; I407-P488 HydrophobicContact CD1-CG 4.04Å; I407-T489 HydrophobicContact CD1-CG2 3.41Å; I407-T489 VanDerWaalsContact CD1-CG2 3.41Å
408	L	95	Very high	84.9	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	33%	0.33	C	S	.	.			trans	-99.3	-15.8	-176.5	-58.8	-177.4	0	0	0	112.9	G354 Q356 T406 I446 Q447 Y461 L463 V508	G354-L408 WeakPolarHBondContact O-CB 3.23Å; G354-L408 PolarHBondContact O-N 2.63Å; Q356-L408 HydrophobicContact CB-CD1 4.12Å; Q356-L408 HydrophobicContact CB-CD2 4.23Å; Q356-L408 HydrophobicContact CB-CG 4.27Å; T406-L408 HydrophobicContact CG2-CD2 4.19Å; T406-L408 PolarHBondContact O-N 2.85Å; L408-I446 HydrophobicContact CB-CD1 4.07Å; L408-I446 CarbonylContact O-C 3.51Å; L408-I446 WeakPolarHBondContact O-CA 3.41Å; L408-Q447 PolarHBondContact O-N 2.77Å; L408-Y461 HydrophobicContact CD2-CD1 4.05Å; L408-Y461 HydrophobicContact CD2-CD2 4.41Å; L408-Y461 HydrophobicContact CD2-CG 3.84Å; L408-L463 HydrophobicContact CD1-CB 4.34Å; L408-L463 HydrophobicContact CD1-CD1 4.32Å; L408-V508 HydrophobicContact CD1-CG2 4.23Å
409	T	95.4	Very high	87	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-131.7	162.2	-169.6	71.7	0	0	0	0	111.3	G354 I407 L444 T445 I446	G354-T409 PolarHBondContact N-OG1 3.15Å; I407-T409 VanDerWaalsContact CG2-O 3.26Å; I407-T409 WeakPolarHBondContact CG2-O 3.1Å; T409-L444 HydrophobicContact CG2-CB 3.75Å; T409-T445 WeakPolarHBondContact CA-O 3.49Å; T409-T445 WeakPolarHBondContact CB-O 3.15Å; T409-I446 HydrophobicContact CG2-CD1 3.76Å
410	Q	94.3	Very high	88.9	Confident	122 Å²	122	46 Å²	46	57%	0.57	27%	0.265	S	S	*	.			trans	-65.3	158	158.5	-62.4	-176.4	-36	0	0	110.1	Q447	Q410-Q447 HydrophobicContact CG-CG 4.09Å; Q410-Q447 VanDerWaalsContact NE2-NE2 3.16Å
411	S	96.8	Very high	90.7	Very high	61 Å²	61	44.5 Å²	44.5	43%	0.427	25%	0.251	S	S	.	.			trans	-62.2	132.7	166.9	-54.1	0	0	0	0	110.2	L352 Y469	L352-S411 WeakPolarHBondContact O-CA 3.32Å; S411-Y469 WeakPolarHBondContact CB-OH 3.4Å; S411-Y469 PolarHBondContact OG-OH 2.84Å
412	F	97.7	Very high	92.3	Very high	46 Å²	46	41.1 Å²	41.1	20%	0.202	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116.9	170.7	179.6	-88.5	0	0	0	109.1	N351 L352 L414 F442 H443 L444	N351-F412 CarbonylContact C-O 3.45Å; N351-F412 VanDerWaalsContact CA-O 3.27Å; N351-F412 WeakPolarHBondContact CA-O 3.31Å; L352-F412 PolarHBondContact N-O 3.06Å; L352-F412 PolarHBondContact O-N 2.61Å; F412-L414 HydrophobicContact CE1-CD1 4.25Å; F412-L414 PolarHBondContact O-N 2.8Å; F412-L414 VanDerWaalsContact O-N 3.16Å; F412-F442 HydrophobicContact CD1-CB 3.58Å; F412-F442 VanDerWaalsContact CE1-CA 3.43Å; F412-F442 HydrophobicContact CE1-CB 3.4Å; F412-F442 HydrophobicContact CG-CB 4.34Å; F412-F442 HydrophobicContact CZ-CB 4.03Å; F412-H443 HydrophobicContact CD2-CB 4.44Å; F412-H443 WeakPolarHBondContact CD2-O 3.31Å; F412-H443 HydrophobicContact CE2-CB 4.21Å; F412-L444 HydrophobicContact CB-CD2 3.64Å
413	E	98	Very high	93.4	Very high	111 Å²	111	37.3 Å²	37.3	52%	0.519	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	109.9	172.7	-175.2	-177.6	98.7	0	0	109.3	T349 N351	T349-E413 HydrophobicContact CG2-CG 4.17Å; T349-E413 WeakPolarHBondContact CG2-OE2 3.02Å; N351-E413 WeakPolarHBondContact OD1-CA 3.28Å
414	L	96.9	Very high	93.9	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.047	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-46.1	-179.8	-178.3	69.4	0	0	0	111.6	L350 L352 F412 Q440 F442 I518 I520	L350-L414 HydrophobicContact CD2-CD2 4Å; L350-L414 HydrophobicContact CG-CD2 4.39Å; L350-L414 WeakPolarHBondContact O-CA 3.04Å; L350-L414 VanDerWaalsContact O-CB 3.3Å; L350-L414 WeakPolarHBondContact O-CB 3.43Å; L350-L414 PolarHBondContact O-N 3.25Å; L352-L414 HydrophobicContact CD1-CB 4.36Å; L352-L414 HydrophobicContact CD1-CD1 4.07Å; L352-L414 HydrophobicContact CD1-CD2 4.12Å; L352-L414 HydrophobicContact CD1-CG 4.41Å; L352-L414 HydrophobicContact CD2-CD2 4.38Å; L352-L414 HydrophobicContact CG-CB 4.18Å; L352-L414 HydrophobicContact CG-CD2 4.27Å; F412-L414 HydrophobicContact CE1-CD1 4.25Å; F412-L414 PolarHBondContact O-N 2.8Å; F412-L414 VanDerWaalsContact O-N 3.16Å; L414-Q440 HydrophobicContact CD1-CB 3.8Å; L414-Q440 HydrophobicContact CD1-CG 3.89Å; L414-Q440 HydrophobicContact CG-CB 4.47Å; L414-Q440 WeakPolarHBondContact O-CG 3.2Å; L414-F442 HydrophobicContact CD1-CB 4.14Å; L414-I518 HydrophobicContact CD1-CG2 3.22Å; L414-I518 HydrophobicContact CD2-CD1 4.22Å; L414-I518 HydrophobicContact CD2-CG2 3.45Å; L414-I518 VanDerWaalsContact CD2-CG2 3.45Å; L414-I518 HydrophobicContact CG-CG2 3.9Å; L414-I520 HydrophobicContact CD2-CD1 4.2Å
415	V	94.9	Very high	93.8	Very high	21 Å²	21	45.2 Å²	45.2	13%	0.127	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.7	-179.7	-176.8	0	0	0	0	108.3	F321 T349 L350 L417 C438	F321-V415 HydrophobicContact CZ-CG1 4.27Å; T349-V415 CarbonylContact C-O 3.36Å; T349-V415 WeakPolarHBondContact CA-O 3.28Å; L350-V415 HydrophobicContact CB-CB 4.22Å; L350-V415 PolarHBondContact N-O 3.17Å; L350-V415 PolarHBondContact O-N 3.18Å; V415-L417 HydrophobicContact CG1-CD2 3.61Å; V415-L417 HydrophobicContact CG1-CG 4.12Å; V415-C438 HydrophobicContact CG2-CB 4.05Å; V415-C438 WeakPolarHBondContact CG2-SG 3.19Å
416	A	95.8	Very high	93.3	Very high	62 Å²	62	54.1 Å²	54.1	51%	0.512	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.6	166.7	0	0	0	0	0	109.2	Y348 T349	Y348-A416 CarbonylContact O-C 3.54Å; Y348-A416 WeakPolarHBondContact O-CA 3.38Å; T349-A416 HydrophobicContact CG2-CB 4.2Å
417	L	94.8	Very high	92.4	Very high	22 Å²	22	56 Å²	56	12%	0.115	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.5	176.5	-50.7	178	0	0	0	109.3	W315 L320 F321 L326 H347 Y348 V415 L419 M422	W315-L417 HydrophobicContact CH2-CD1 4.07Å; W315-L417 HydrophobicContact CZ2-CD1 4.43Å; L320-L417 HydrophobicContact CD2-CD1 4.02Å; F321-L417 HydrophobicContact CE1-CD1 3.86Å; F321-L417 HydrophobicContact CZ-CD1 3.98Å; F321-L417 HydrophobicContact CZ-CD2 4.41Å; L326-L417 HydrophobicContact CD2-CD1 4.12Å; H347-L417 WeakPolarHBondContact CA-O 3.29Å; Y348-L417 PolarHBondContact N-O 3.16Å; Y348-L417 PolarHBondContact O-N 2.93Å; V415-L417 HydrophobicContact CG1-CD2 3.61Å; V415-L417 HydrophobicContact CG1-CG 4.12Å; L417-L419 HydrophobicContact CB-CD1 4.1Å; L417-M422 HydrophobicContact CB-SD 4.18Å; L417-M422 HydrophobicContact CD2-SD 4.11Å
418	D	95.3	Very high	91	Very high	39 Å²	39	56.2 Å²	56.2	21%	0.209	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	105	163.9	179.1	-22	0	0	0	106.6	R346 H347 D420 D421 M422	R346-D418 IonicContact CZ-OD1 3.55Å; R346-D418 IonicContact CZ-OD2 3.06Å; R346-D418 IonicContact NE-OD1 3.69Å; R346-D418 PolarHBondContact NE-OD1 2.86Å; R346-D418 IonicContact NE-OD2 2.83Å; R346-D418 PolarHBondContact NE-OD2 2.82Å; R346-D418 IonicContact NH2-OD1 3.71Å; R346-D418 IonicContact NH2-OD2 3.87Å; R346-D418 PolarHBondContact NH2-OD2 3.11Å; H347-D418 IonicContact CE1-OD2 2.82Å; H347-D418 PolarHBondContact CE1-OD2 2.97Å; H347-D418 IonicContact ND1-OD2 3.69Å; D418-D420 PolarHBondContact O-N 2.78Å; D418-D420 WeakPolarHBondContact OD1-CB 3.45Å; D418-D420 PolarHBondContact OD1-N 3Å; D418-D420 VanDerWaalsContact OD1-N 3.09Å; D418-D421 HydrophobicContact CB-CB 3.89Å; D418-D421 PolarHBondContact O-N 3.48Å; D418-D421 VanDerWaalsContact O-N 3.15Å; D418-D421 PolarHBondContact OD1-N 2.5Å; D418-D421 VanDerWaalsContact OD1-N 3.12Å; D418-M422 VanDerWaalsContact O-CG 3.29Å; D418-M422 WeakPolarHBondContact O-CG 3.43Å; D418-M422 PolarHBondContact O-N 3.03Å
419	L	95	Very high	89	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-31.1	-173.2	-88.3	57.7	0	0	0	112.1	W315 L326 I343 R346 Y348 L417 M422 H423	W315-L419 HydrophobicContact CZ2-CD1 4.49Å; L326-L419 HydrophobicContact CD1-CD1 4.34Å; L326-L419 HydrophobicContact CD1-CD2 4.2Å; L326-L419 HydrophobicContact CD1-CG 4.15Å; I343-L419 HydrophobicContact CB-CB 4.36Å; I343-L419 HydrophobicContact CD1-CB 4.35Å; I343-L419 HydrophobicContact CG2-CB 4.34Å; I343-L419 HydrophobicContact CG2-CD2 3.86Å; R346-L419 PolarHBondContact O-N 2.83Å; Y348-L419 HydrophobicContact CD2-CD1 3.43Å; Y348-L419 VanDerWaalsContact CD2-CD1 3.43Å; Y348-L419 HydrophobicContact CE2-CD1 3.46Å; Y348-L419 VanDerWaalsContact CE2-CD1 3.46Å; Y348-L419 HydrophobicContact CE2-CD2 3.71Å; Y348-L419 HydrophobicContact CE2-CG 4.19Å; L417-L419 HydrophobicContact CB-CD1 4.1Å; L419-M422 HydrophobicContact CD1-SD 4.47Å; L419-H423 VanDerWaalsContact O-CB 3.24Å; L419-H423 WeakPolarHBondContact O-CB 3.35Å; L419-H423 PolarHBondContact O-N 3.42Å
420	D	91.7	Very high	87	Confident	6 Å²	6	63 Å²	63	3%	0.032	31%	0.31	C	S	.	.	H	α-helix	trans	-67.7	-44	175.8	-108.5	32.3	0	0	0	110.6	H342 I343 R346 D418 R424	H342-D420 IonicContact ND1-OD2 2.8Å; I343-D420 PolarHBondContact N-OD1 2.94Å; R346-D420 HydrophobicContact CG-CB 4.1Å; R346-D420 IonicContact CZ-OD2 3.81Å; R346-D420 IonicContact NE-OD2 3.35Å; D418-D420 PolarHBondContact O-N 2.78Å; D418-D420 WeakPolarHBondContact OD1-CB 3.45Å; D418-D420 PolarHBondContact OD1-N 3Å; D418-D420 VanDerWaalsContact OD1-N 3.09Å; D420-R424 WeakPolarHBondContact O-CB 3.33Å; D420-R424 VanDerWaalsContact O-CG 3.29Å; D420-R424 WeakPolarHBondContact O-CG 3.2Å; D420-R424 PolarHBondContact O-N 2.75Å; D420-R424 PolarHBondContact O-NE 2.82Å; D420-R424 IonicContact OD2-NH1 3.07Å; D420-R424 PolarHBondContact OD2-NH1 3.32Å
421	D	91.1	Very high	84.7	Confident	65 Å²	65	59.5 Å²	59.5	35%	0.348	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-45.8	173.6	-172.3	70.5	0	0	0	111.9	D418 H423 R424 N425	D418-D421 HydrophobicContact CB-CB 3.89Å; D418-D421 PolarHBondContact O-N 3.48Å; D418-D421 VanDerWaalsContact O-N 3.15Å; D418-D421 PolarHBondContact OD1-N 2.5Å; D418-D421 VanDerWaalsContact OD1-N 3.12Å; D421-H423 VanDerWaalsContact C-N 3.33Å; D421-H423 PolarHBondContact O-N 3.22Å; D421-R424 PolarHBondContact O-N 3.03Å; D421-N425 VanDerWaalsContact O-CB 3.31Å; D421-N425 WeakPolarHBondContact O-CB 3.48Å; D421-N425 PolarHBondContact O-N 3.47Å; D421-N425 PolarHBondContact O-ND2 2.77Å; D421-N425 PolarHBondContact OD1-ND2 3.05Å; D421-N425 PolarHBondContact OD2-ND2 3.1Å
422	M	92.2	Very high	82.5	Confident	16 Å²	16	62.1 Å²	62.1	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-57.4	-45.6	176.4	-70.2	176.9	73.5	0	0	111.6	L326 L330 L417 D418 L419 R426 I427 L430	L326-M422 HydrophobicContact CD2-CE 4.31Å; L330-M422 HydrophobicContact CD1-CE 3.76Å; L330-M422 HydrophobicContact CD2-CB 4.35Å; L417-M422 HydrophobicContact CB-SD 4.18Å; L417-M422 HydrophobicContact CD2-SD 4.11Å; D418-M422 VanDerWaalsContact O-CG 3.29Å; D418-M422 WeakPolarHBondContact O-CG 3.43Å; D418-M422 PolarHBondContact O-N 3.03Å; L419-M422 HydrophobicContact CD1-SD 4.47Å; M422-R426 PolarHBondContact O-N 2.8Å; M422-I427 HydrophobicContact CB-CB 4.26Å; M422-I427 HydrophobicContact CG-CB 4.43Å; M422-I427 PolarHBondContact O-N 3.3Å; M422-L430 HydrophobicContact CE-CD1 3.95Å
423	H	90.4	Very high	80.4	Confident	35 Å²	35	68.5 Å²	68.5	16%	0.162	34%	0.339	C	S	.	.	H	α-helix	trans	-63.1	-49	177.1	174.2	64.8	0	0	0	112	A333 I343 L419 D421 N425 R426 Y428	A333-H423 PolarHBondContact O-CE1 3.48Å; A333-H423 VanDerWaalsContact O-CE1 3.26Å; I343-H423 HydrophobicContact CD1-CB 4.13Å; L419-H423 VanDerWaalsContact O-CB 3.24Å; L419-H423 WeakPolarHBondContact O-CB 3.35Å; L419-H423 PolarHBondContact O-N 3.42Å; D421-H423 VanDerWaalsContact C-N 3.33Å; D421-H423 PolarHBondContact O-N 3.22Å; H423-N425 PolarHBondContact O-N 3.39Å; H423-R426 PolarHBondContact O-N 3.29Å; H423-R426 VanDerWaalsContact O-N 3.12Å; H423-Y428 PolarHBondContact ND1-OH 2.94Å; H423-Y428 VanDerWaalsContact ND1-OH 3.08Å; H423-Y428 PolarHBondContact O-OH 2.84Å
424	R	88.2	Confident	78.8	Confident	138 Å²	138	65.3 Å²	65.3	52%	0.521	33%	0.328	S	S	.	.	H	α-helix	trans	-62.3	-42.2	-179.6	-76.6	-174	-67.4	-101.2	2.4	112.6	D420 D421 R426	D420-R424 WeakPolarHBondContact O-CB 3.33Å; D420-R424 VanDerWaalsContact O-CG 3.29Å; D420-R424 WeakPolarHBondContact O-CG 3.2Å; D420-R424 PolarHBondContact O-N 2.75Å; D420-R424 PolarHBondContact O-NE 2.82Å; D420-R424 IonicContact OD2-NH1 3.07Å; D420-R424 PolarHBondContact OD2-NH1 3.32Å; D421-R424 PolarHBondContact O-N 3.03Å; R424-R426 PolarHBondContact O-N 3.12Å
425	N	86.7	Confident	78	Confident	96 Å²	96	67.7 Å²	67.7	51%	0.513	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	1.3	178.8	-67.9	-35.4	0	0	0	113.1	D421 H423 I427	D421-N425 VanDerWaalsContact O-CB 3.31Å; D421-N425 WeakPolarHBondContact O-CB 3.48Å; D421-N425 PolarHBondContact O-N 3.47Å; D421-N425 PolarHBondContact O-ND2 2.77Å; D421-N425 PolarHBondContact OD1-ND2 3.05Å; D421-N425 PolarHBondContact OD2-ND2 3.1Å; H423-N425 PolarHBondContact O-N 3.39Å; N425-I427 HydrophobicContact CB-CD1 3.89Å; N425-I427 HydrophobicContact CB-CG1 3.72Å; N425-I427 PolarHBondContact O-N 3.17Å
426	R	81.4	Confident	77.7	Confident	194 Å²	194	70 Å²	70	73%	0.732	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	39.1	-177.4	-57	-173.6	179.2	-180	-1.2	112.5	M422 H423 R424 Y428	M422-R426 PolarHBondContact O-N 2.8Å; H423-R426 PolarHBondContact O-N 3.29Å; H423-R426 VanDerWaalsContact O-N 3.12Å; R424-R426 PolarHBondContact O-N 3.12Å; R426-Y428 HydrophobicContact CB-CD2 3.76Å; R426-Y428 HydrophobicContact CB-CE2 3.43Å; R426-Y428 VanDerWaalsContact CB-CE2 3.43Å; R426-Y428 HydrophobicContact CG-CE2 3.77Å; R426-Y428 VanDerWaalsContact O-CD2 3.31Å; R426-Y428 WeakPolarHBondContact O-CD2 3.29Å; R426-Y428 PolarHBondContact O-N 3.09Å
427	I	73.8	Confident	77.3	Confident	75 Å²	75	68.4 Å²	68.4	39%	0.385	34%	0.339	S	S	.	.			trans	-76.4	71.1	174.5	-51.9	176.9	0	0	0	107.6	M422 N425 N429	M422-I427 HydrophobicContact CB-CB 4.26Å; M422-I427 HydrophobicContact CG-CB 4.43Å; M422-I427 PolarHBondContact O-N 3.3Å; N425-I427 HydrophobicContact CB-CD1 3.89Å; N425-I427 HydrophobicContact CB-CG1 3.72Å; N425-I427 PolarHBondContact O-N 3.17Å; I427-N429 VanDerWaalsContact C-N 3.35Å
428	Y	66.4	Low	77.1	Confident	58 Å²	58	68.1 Å²	68.1	23%	0.227	34%	0.339	C	S	.	.			trans	-98.5	10.9	172.7	-51.2	-69.7	0	0	0	111.1	L330 S334 H423 R426 L430 S431	L330-Y428 HydrophobicContact CB-CD1 3.8Å; L330-Y428 HydrophobicContact CB-CE1 3.89Å; L330-Y428 VanDerWaalsContact O-CE1 3.3Å; L330-Y428 WeakPolarHBondContact O-CE1 3.46Å; S334-Y428 WeakPolarHBondContact CB-OH 3.42Å; S334-Y428 PolarHBondContact OG-OH 3.24Å; H423-Y428 PolarHBondContact ND1-OH 2.94Å; H423-Y428 VanDerWaalsContact ND1-OH 3.08Å; H423-Y428 PolarHBondContact O-OH 2.84Å; R426-Y428 HydrophobicContact CB-CD2 3.76Å; R426-Y428 HydrophobicContact CB-CE2 3.43Å; R426-Y428 VanDerWaalsContact CB-CE2 3.43Å; R426-Y428 HydrophobicContact CG-CE2 3.77Å; R426-Y428 VanDerWaalsContact O-CD2 3.31Å; R426-Y428 WeakPolarHBondContact O-CD2 3.29Å; R426-Y428 PolarHBondContact O-N 3.09Å; Y428-L430 CarbonylContact O-C 3.57Å; Y428-L430 PolarHBondContact O-N 2.98Å; Y428-S431 PolarHBondContact O-N 3.07Å
429	N	51.9	Low	77	Confident	130 Å²	130	71.6 Å²	71.6	70%	0.695	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	6.7	-176.4	-92.8	-3	0	0	0	114.2	I427 S431 C434	I427-N429 VanDerWaalsContact C-N 3.35Å; N429-S431 PolarHBondContact O-N 3.13Å; N429-C434 WeakPolarHBondContact O-CB 3.01Å
430	L	53.2	Low	76.9	Confident	16 Å²	16	75.8 Å²	75.8	8%	0.084	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	3.2	154.4	-65.6	150.4	0	0	0	113.1	L326 D327 L330 M422 Y428 L437	L326-L430 HydrophobicContact CD2-CD1 3.71Å; L326-L430 HydrophobicContact CG-CD1 4.08Å; D327-L430 WeakPolarHBondContact OD1-CB 3.06Å; D327-L430 WeakPolarHBondContact OD1-CD1 3.39Å; L330-L430 HydrophobicContact CD1-CD1 4.17Å; M422-L430 HydrophobicContact CE-CD1 3.95Å; Y428-L430 CarbonylContact O-C 3.57Å; Y428-L430 PolarHBondContact O-N 2.98Å; L430-L437 HydrophobicContact CD2-CD2 3.28Å
431	S	47	Very low	77.1	Confident	50 Å²	50	81.5 Å²	81.5	35%	0.35	40%	0.398	S	S	.	.			trans	-31	141.7	177	65.7	0	0	0	0	111.9	Y428 N429 H433 C434	Y428-S431 PolarHBondContact O-N 3.07Å; N429-S431 PolarHBondContact O-N 3.13Å; S431-H433 CarbonylContact O-C 3.57Å; S431-H433 PolarHBondContact O-N 2.78Å; S431-C434 PolarHBondContact O-N 2.94Å
432	N	49.5	Very low	77.3	Confident	115 Å²	115	78.4 Å²	78.4	62%	0.615	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-8.7	-176.8	-60.1	19.4	0	0	0	115.4	K331	K331-N432 PolarHBondContact NZ-OD1 3.16Å
433	H	53.7	Low	77.4	Confident	181 Å²	181	80.7 Å²	80.7	84%	0.838	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-15.7	174.8	-60.9	-23.8	0	0	0	115.2	S431 S435	S431-H433 CarbonylContact O-C 3.57Å; S431-H433 PolarHBondContact O-N 2.78Å; H433-S435 PolarHBondContact O-N 3.27Å
434	C	65.4	Low	77.6	Confident	44 Å²	44	79.1 Å²	79.1	30%	0.297	39%	0.385	S	S	.	.			trans	-92	99.3	174.7	-167.6	0	0	0	0	109	N429 S431 L436	N429-C434 WeakPolarHBondContact O-CB 3.01Å; S431-C434 PolarHBondContact O-N 2.94Å; C434-L436 PolarHBondContact O-N 2.81Å; C434-L436 PolarHBondContact SG-O 3.45Å
435	S	80.7	Confident	77.9	Confident	59 Å²	59	75.7 Å²	75.7	41%	0.413	38%	0.379	S	S	.	.			trans	-69.2	-18.8	174.4	58	0	0	0	0	112.7	H433 R521 R522	H433-S435 PolarHBondContact O-N 3.27Å; S435-R521 CarbonylContact O-C 3.26Å; S435-R521 WeakPolarHBondContact O-CA 3.44Å; S435-R521 VanDerWaalsContact O-CB 3.28Å; S435-R521 WeakPolarHBondContact O-CB 3.36Å; S435-R522 PolarHBondContact O-N 3.06Å
436	L	87.7	Confident	78.2	Confident	69 Å²	69	71.3 Å²	71.3	36%	0.361	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	115.4	-177.5	-177.9	65.5	0	0	0	111.4	C434 C438 E439 T519 R521	C434-L436 PolarHBondContact O-N 2.81Å; C434-L436 PolarHBondContact SG-O 3.45Å; L436-C438 WeakPolarHBondContact CD1-O 3.35Å; L436-E439 HydrophobicContact CD1-CB 4.28Å; L436-T519 HydrophobicContact CD1-CG2 3.41Å; L436-T519 VanDerWaalsContact CD1-CG2 3.41Å; L436-R521 HydrophobicContact CD1-CG 4.11Å
437	L	88.2	Confident	78.8	Confident	28 Å²	28	65.6 Å²	65.6	15%	0.147	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-41.6	176.8	-57	177.6	0	0	0	111.2	F321 L430 I520 R522 L530	F321-L437 HydrophobicContact CB-CD1 3.85Å; F321-L437 HydrophobicContact CG-CD1 4.23Å; L430-L437 HydrophobicContact CD2-CD2 3.28Å; L437-I520 HydrophobicContact CB-CB 4.43Å; L437-I520 HydrophobicContact CB-CG2 4.33Å; L437-I520 HydrophobicContact CD1-CG2 4.07Å; L437-I520 PolarHBondContact N-O 2.73Å; L437-R522 HydrophobicContact CD1-CG 4.32Å; L437-R522 HydrophobicContact CD2-CG 4.02Å; L437-R522 HydrophobicContact CG-CG 4.26Å; L437-L530 HydrophobicContact CD1-CD2 3.56Å
438	C	89.3	Confident	79.4	Confident	17 Å²	17	66.7 Å²	66.7	12%	0.115	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	141.3	-179.5	177.7	0	0	0	0	110.8	V415 L436 T519 I520	V415-C438 HydrophobicContact CG2-CB 4.05Å; V415-C438 WeakPolarHBondContact CG2-SG 3.19Å; L436-C438 WeakPolarHBondContact CD1-O 3.35Å; C438-T519 CarbonylContact O-C 3.52Å; C438-T519 VanDerWaalsContact O-CA 3.31Å; C438-T519 WeakPolarHBondContact O-CA 3.37Å; C438-I520 HydrophobicContact CB-CB 4.24Å; C438-I520 HydrophobicContact CB-CD1 4.17Å; C438-I520 HydrophobicContact CB-CG1 4.32Å; C438-I520 PolarHBondContact N-O 3.3Å; C438-I520 PolarHBondContact O-N 3.33Å
439	E	93.3	Very high	79.8	Confident	111 Å²	111	66 Å²	66	52%	0.519	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	114.6	160.8	178.6	165.1	105.7	0	0	108.2	L436 I517 I518 T519	L436-E439 HydrophobicContact CD1-CB 4.28Å; E439-I517 HydrophobicContact CG-CG2 3.99Å; E439-I518 WeakPolarHBondContact CA-O 3.2Å; E439-T519 HydrophobicContact CB-CG2 4.02Å; E439-T519 HydrophobicContact CG-CG2 4.31Å; E439-T519 WeakPolarHBondContact CG-OG1 3.42Å; E439-T519 WeakPolarHBondContact OE2-CG2 3.19Å; E439-T519 PolarHBondContact OE2-OG1 2.74Å
440	Q	93.4	Very high	80.3	Confident	89 Å²	89	65.9 Å²	65.9	42%	0.416	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	141.8	-171.6	-175.3	57.8	41.6	0	0	111.8	L414 I517 I518	L414-Q440 HydrophobicContact CD1-CB 3.8Å; L414-Q440 HydrophobicContact CD1-CG 3.89Å; L414-Q440 HydrophobicContact CG-CB 4.47Å; L414-Q440 WeakPolarHBondContact O-CG 3.2Å; Q440-I517 WeakPolarHBondContact O-CA 3.44Å; Q440-I518 PolarHBondContact N-O 2.88Å; Q440-I518 PolarHBondContact O-N 2.88Å
441	K	94.6	Very high	80.5	Confident	125 Å²	125	70.1 Å²	70.1	54%	0.543	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.2	169.7	-71.6	-177.4	178.9	-168.5	0	109.7	G516 I517	K441-G516 CarbonylContact C-O 3.57Å; K441-G516 VanDerWaalsContact CA-O 3.27Å; K441-G516 WeakPolarHBondContact CA-O 3.19Å; K441-I517 HydrophobicContact CG-CG1 3.8Å
442	F	95.3	Very high	80.4	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	157.1	175.8	74.7	-91.3	0	0	0	112.3	L352 F412 L414 L444 S515 G516 I518 L534 I536	L352-F442 HydrophobicContact CD1-CB 4.09Å; L352-F442 HydrophobicContact CD1-CD1 4.26Å; L352-F442 HydrophobicContact CD1-CD2 4.3Å; L352-F442 HydrophobicContact CD1-CG 3.96Å; F412-F442 HydrophobicContact CD1-CB 3.58Å; F412-F442 VanDerWaalsContact CE1-CA 3.43Å; F412-F442 HydrophobicContact CE1-CB 3.4Å; F412-F442 HydrophobicContact CG-CB 4.34Å; F412-F442 HydrophobicContact CZ-CB 4.03Å; L414-F442 HydrophobicContact CD1-CB 4.14Å; F442-L444 HydrophobicContact CD2-CD1 4.17Å; F442-L444 HydrophobicContact CD2-CG 3.99Å; F442-L444 HydrophobicContact CE2-CD1 3.96Å; F442-L444 HydrophobicContact CE2-CG 4.2Å; F442-S515 WeakPolarHBondContact O-CA 3.33Å; F442-G516 PolarHBondContact N-O 3.39Å; F442-G516 PolarHBondContact O-N 2.99Å; F442-I518 HydrophobicContact CD1-CB 4.18Å; F442-I518 HydrophobicContact CD1-CG2 4.08Å; F442-I518 HydrophobicContact CE1-CB 4.32Å; F442-L534 HydrophobicContact CE1-CD1 3.6Å; F442-L534 HydrophobicContact CZ-CD1 3.7Å; F442-I536 HydrophobicContact CZ-CG1 4.01Å
443	H	94.4	Very high	80.3	Confident	65 Å²	65	76.9 Å²	76.9	30%	0.301	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	120.3	179	-57.2	102.5	0	0	0	110.4	F412 K513 I514 S515	F412-H443 HydrophobicContact CD2-CB 4.44Å; F412-H443 WeakPolarHBondContact CD2-O 3.31Å; F412-H443 HydrophobicContact CE2-CB 4.21Å; H443-K513 WeakPolarHBondContact CD2-CE 3.31Å; H443-K513 PolarHBondContact CD2-NZ 3.33Å; H443-K513 VanDerWaalsContact CG-CE 3.48Å; H443-K513 PolarHBondContact NE2-NZ 3.02Å; H443-I514 CarbonylContact C-O 3.49Å; H443-I514 WeakPolarHBondContact CA-O 3.06Å; H443-S515 PolarHBondContact CD2-OG 3.01Å; H443-S515 VanDerWaalsContact CD2-OG 3.31Å
444	L	95.3	Very high	79.9	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.005	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121	177.7	-64.7	172.4	0	0	0	109.5	L352 T409 F412 F442 I466 I514	L352-L444 HydrophobicContact CB-CD2 4.42Å; T409-L444 HydrophobicContact CG2-CB 3.75Å; F412-L444 HydrophobicContact CB-CD2 3.64Å; F442-L444 HydrophobicContact CD2-CD1 4.17Å; F442-L444 HydrophobicContact CD2-CG 3.99Å; F442-L444 HydrophobicContact CE2-CD1 3.96Å; F442-L444 HydrophobicContact CE2-CG 4.2Å; L444-I466 HydrophobicContact CD1-CD1 3.56Å; L444-I514 HydrophobicContact CB-CB 4.39Å; L444-I514 PolarHBondContact N-O 2.96Å; L444-I514 PolarHBondContact O-N 3.23Å
445	T	94.5	Very high	78.9	Confident	67 Å²	67	80.5 Å²	80.5	41%	0.411	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.9	177.7	-55.9	0	0	0	0	109.2	T409 Q447	T409-T445 WeakPolarHBondContact CA-O 3.49Å; T409-T445 WeakPolarHBondContact CB-O 3.15Å; T445-Q447 PolarHBondContact O-N 3.02Å
446	I	94.2	Very high	77.4	Confident	3 Å²	3	81.1 Å²	81.1	2%	0.015	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-71.6	126.7	179.5	-55.3	-67.7	0	0	0	109.5	L408 T409 Y461 V508 K509 G511 D512	L408-I446 HydrophobicContact CB-CD1 4.07Å; L408-I446 CarbonylContact O-C 3.51Å; L408-I446 WeakPolarHBondContact O-CA 3.41Å; T409-I446 HydrophobicContact CG2-CD1 3.76Å; I446-Y461 HydrophobicContact CG2-CD2 4.24Å; I446-V508 HydrophobicContact CD1-CB 4.16Å; I446-V508 HydrophobicContact CD1-CG1 4.43Å; I446-V508 HydrophobicContact CD1-CG2 3.76Å; I446-V508 HydrophobicContact CG1-CB 3.96Å; I446-V508 HydrophobicContact CG1-CG1 4.43Å; I446-V508 HydrophobicContact CG1-CG2 4.02Å; I446-V508 HydrophobicContact CG2-CG2 4.24Å; I446-K509 WeakPolarHBondContact CB-O 3.34Å; I446-K509 WeakPolarHBondContact CG2-O 3.42Å; I446-G511 PolarHBondContact O-N 3.24Å; I446-D512 HydrophobicContact CG1-CB 4.12Å; I446-D512 WeakPolarHBondContact CG1-O 3.3Å; I446-D512 PolarHBondContact N-O 3.41Å
447	Q	92.2	Very high	75.8	Confident	75 Å²	75	84 Å²	84	35%	0.35	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-100.3	154.1	178.3	-61.4	-167.8	-60.7	0	0	111.3	L408 Q410 T445 T449	L408-Q447 PolarHBondContact O-N 2.77Å; Q410-Q447 HydrophobicContact CG-CG 4.09Å; Q410-Q447 VanDerWaalsContact NE2-NE2 3.16Å; T445-Q447 PolarHBondContact O-N 3.02Å; Q447-T449 PolarHBondContact O-N 2.81Å
448	P	86.6	Confident	74.2	Confident	98 Å²	98	87.9 Å²	87.9	64%	0.636	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-62.7	123	162.8	-13.5	27.4	0	0	0	109.7	P510	P448-P510 HydrophobicContact CB-CG 4.4Å; P448-P510 HydrophobicContact CG-CB 3.98Å; P448-P510 HydrophobicContact CG-CG 4.37Å
449	T	75.3	Confident	73.3	Confident	43 Å²	43	88.9 Å²	88.9	26%	0.264	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-74.1	144.1	169.1	-176	0	0	0	0	110.1	Q447 D451 Y461	Q447-T449 PolarHBondContact O-N 2.81Å; T449-D451 VanDerWaalsContact C-N 3.31Å; T449-D451 HydrophobicContact CG2-CB 4.27Å; T449-D451 PolarHBondContact OG1-N 2.77Å; T449-D451 PolarHBondContact OG1-OD2 3.16Å; T449-Y461 HydrophobicContact CG2-CE1 3.53Å; T449-Y461 WeakPolarHBondContact CG2-OH 3.44Å
450	T	63.6	Low	72.8	Confident	127 Å²	127	87.4 Å²	87.4	78%	0.779	50%	0.5	S	S	*	.			trans	-87.4	3.6	174.9	49.3	0	0	0	0	113.1	I452	T450-I452 WeakPolarHBondContact O-CA 3.41Å; T450-I452 VanDerWaalsContact O-CG1 3.24Å; T450-I452 WeakPolarHBondContact O-CG1 3.3Å; T450-I452 PolarHBondContact O-N 3.26Å
451	D	55.8	Low	72.7	Confident	106 Å²	106	84.5 Å²	84.5	57%	0.567	49%	0.485	S	S	*	.			trans	-53	113.1	-178.4	-81.1	-33.7	0	0	0	111.7	T449 N453	T449-D451 VanDerWaalsContact C-N 3.31Å; T449-D451 HydrophobicContact CG2-CB 4.27Å; T449-D451 PolarHBondContact OG1-N 2.77Å; T449-D451 PolarHBondContact OG1-OD2 3.16Å; D451-N453 PolarHBondContact O-N 2.87Å
452	I	45.6	Very low	72.6	Confident	158 Å²	158	82.2 Å²	82.2	81%	0.81	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	0.3	-150.2	-72.3	174.4	0	0	0	115.1	T450	T450-I452 WeakPolarHBondContact O-CA 3.41Å; T450-I452 VanDerWaalsContact O-CG1 3.24Å; T450-I452 WeakPolarHBondContact O-CG1 3.3Å; T450-I452 PolarHBondContact O-N 3.26Å
453	N	46.4	Very low	72.6	Confident	148 Å²	148	82.3 Å²	82.3	79%	0.791	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	3.3	-166.7	-76.1	-21	0	0	0	117.4	D451	D451-N453 PolarHBondContact O-N 2.87Å
454	N	46.4	Very low	72.6	Confident	127 Å²	127	79.5 Å²	79.5	68%	0.679	46%	0.464	S	S	*	.			trans	-130.4	100.2	174.9	-81.5	-31.6	0	0	0	112.5	S456	N454-S456 PolarHBondContact O-N 2.77Å
455	N	43.3	Very low	72.7	Confident	175 Å²	175	79.4 Å²	79.4	94%	0.936	46%	0.464	S	S	*	.			trans	-66.4	31.8	167	-83.6	-22.5	0	0	0	113.7
456	S	50.9	Low	72.8	Confident	71 Å²	71	76.2 Å²	76.2	50%	0.497	45%	0.445	S	S	.	.			trans	-103.4	102.5	178.9	-57.7	0	0	0	0	108.6	N454 S458 S459	N454-S456 PolarHBondContact O-N 2.77Å; S456-S458 PolarHBondContact O-N 2.79Å; S456-S459 PolarHBondContact O-N 2.87Å; S456-S459 PolarHBondContact O-OG 2.97Å
457	S	53	Low	73	Confident	129 Å²	129	76.1 Å²	76.1	90%	0.902	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	26.2	175.8	-47.8	0	0	0	0	114.2
458	S	54	Low	73.3	Confident	111 Å²	111	72.5 Å²	72.5	78%	0.776	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.6	35.3	-179.9	-67.1	0	0	0	0	111.7	S456 S460	S456-S458 PolarHBondContact O-N 2.79Å; S458-S460 PolarHBondContact O-N 2.98Å
459	S	70.3	Confident	73.9	Confident	38 Å²	38	68.4 Å²	68.4	27%	0.266	40%	0.399	S	S	.	.			trans	-66.5	99.9	175.4	-49	0	0	0	0	110.1	S456 Y461	S456-S459 PolarHBondContact O-N 2.87Å; S456-S459 PolarHBondContact O-OG 2.97Å; S459-Y461 WeakPolarHBondContact CB-OH 3.44Å; S459-Y461 WeakPolarHBondContact O-CE2 3.45Å
460	S	84.7	Confident	75	Confident	80 Å²	80	66.5 Å²	66.5	56%	0.559	39%	0.387	S	S	*	.			trans	-73.1	132.3	160	55.3	0	0	0	0	108.7	S458	S458-S460 PolarHBondContact O-N 2.98Å
461	Y	91	Very high	76.6	Confident	27 Å²	27	62.3 Å²	62.3	11%	0.106	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	166.1	173.6	-50.3	-73.5	0	0	0	110.3	L408 I446 T449 S459 R507 V508 P510	L408-Y461 HydrophobicContact CD2-CD1 4.05Å; L408-Y461 HydrophobicContact CD2-CD2 4.41Å; L408-Y461 HydrophobicContact CD2-CG 3.84Å; I446-Y461 HydrophobicContact CG2-CD2 4.24Å; T449-Y461 HydrophobicContact CG2-CE1 3.53Å; T449-Y461 WeakPolarHBondContact CG2-OH 3.44Å; S459-Y461 WeakPolarHBondContact CB-OH 3.44Å; S459-Y461 WeakPolarHBondContact O-CE2 3.45Å; Y461-R507 WeakPolarHBondContact O-CA 3.37Å; Y461-V508 PolarHBondContact N-O 2.94Å; Y461-V508 PolarHBondContact O-N 3.02Å; Y461-P510 HydrophobicContact CE2-CG 3.82Å
462	E	92.7	Very high	78.7	Confident	78 Å²	78	57.2 Å²	57.2	36%	0.364	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.4	171.7	-64.4	-166.5	153.8	0	0	108.8	Q356 D464 P505 I506 R507	Q356-E462 WeakPolarHBondContact CA-O 3.48Å; Q356-E462 WeakPolarHBondContact CB-O 3.33Å; Q356-E462 WeakPolarHBondContact CG-O 3.5Å; Q356-E462 PolarHBondContact OE1-O 3.08Å; E462-D464 PolarHBondContact O-N 2.92Å; E462-P505 HydrophobicContact CB-CB 3.9Å; E462-I506 CarbonylContact C-O 3.51Å; E462-I506 WeakPolarHBondContact CA-O 3.49Å; E462-R507 HydrophobicContact CG-CG 4.32Å; E462-R507 IonicContact OE1-NE 3.64Å
463	L	94.5	Very high	81.2	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	106.8	170.1	178	68.5	0	0	0	108	G354 L408 I466 L502 P505 I506 V508 I514	G354-L463 VanDerWaalsContact CA-CD1 3.45Å; L408-L463 HydrophobicContact CD1-CB 4.34Å; L408-L463 HydrophobicContact CD1-CD1 4.32Å; L463-I466 HydrophobicContact CD1-CD1 4.45Å; L463-I466 HydrophobicContact CD2-CD1 4.44Å; L463-L502 HydrophobicContact CD2-CD1 4.11Å; L463-L502 HydrophobicContact CG-CD1 4Å; L463-P505 CarbonylContact O-C 3.56Å; L463-P505 VanDerWaalsContact O-CA 3.23Å; L463-P505 WeakPolarHBondContact O-CA 3.14Å; L463-I506 HydrophobicContact CB-CB 4.28Å; L463-I506 HydrophobicContact CD2-CD1 4.3Å; L463-I506 PolarHBondContact N-O 2.66Å; L463-I506 PolarHBondContact O-N 3.29Å; L463-V508 HydrophobicContact CB-CG1 4.35Å; L463-V508 HydrophobicContact CB-CG2 4.37Å; L463-I514 HydrophobicContact CD2-CG1 4.07Å; L463-I514 HydrophobicContact CD2-CG2 4.24Å
464	D	95	Very high	83.7	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.032	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-33.5	-178	-84.4	-62.5	0	0	0	112.9	V355 C357 R362 E462 L502 P505	V355-D464 PolarHBondContact O-N 2.83Å; C357-D464 HydrophobicContact CB-CB 3.98Å; C357-D464 PolarHBondContact N-OD2 3.18Å; R362-D464 VanDerWaalsContact CD-OD1 3.29Å; R362-D464 WeakPolarHBondContact CD-OD1 3.16Å; R362-D464 IonicContact NE-OD1 3.79Å; R362-D464 PolarHBondContact NE-OD1 3.45Å; E462-D464 PolarHBondContact O-N 2.92Å; D464-L502 WeakPolarHBondContact O-CB 3.47Å; D464-L502 PolarHBondContact O-N 3.31Å; D464-P505 WeakPolarHBondContact OD1-CG 3.44Å
465	A	96.7	Very high	86.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	159.7	-169.6	0	0	0	0	0	112	V355 L499 L500 F501	V355-A465 HydrophobicContact CG2-CB 3.96Å; V355-A465 PolarHBondContact N-O 2.95Å; V355-A465 PolarHBondContact O-N 2.88Å; A465-L499 HydrophobicContact CB-CD1 3.41Å; A465-L499 VanDerWaalsContact CB-CD1 3.41Å; A465-L499 HydrophobicContact CB-CG 3.97Å; A465-L500 VanDerWaalsContact CA-O 3.25Å; A465-L500 WeakPolarHBondContact CA-O 3.21Å; A465-L500 WeakPolarHBondContact CB-O 3.44Å; A465-F501 HydrophobicContact CB-CD1 4.29Å
466	I	97.5	Very high	88.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.5	164.3	-54.9	-57.1	0	0	0	107.8	L352 L353 L444 L463 L500 L534	L352-I466 HydrophobicContact CB-CG2 4.21Å; L352-I466 HydrophobicContact CD1-CG2 4.4Å; L352-I466 HydrophobicContact CD2-CG2 4.01Å; L352-I466 HydrophobicContact CG-CG2 4.44Å; L353-I466 CarbonylContact O-C 3.48Å; L353-I466 WeakPolarHBondContact O-CA 3.45Å; L444-I466 HydrophobicContact CD1-CD1 3.56Å; L463-I466 HydrophobicContact CD1-CD1 4.45Å; L463-I466 HydrophobicContact CD2-CD1 4.44Å; I466-L500 HydrophobicContact CB-CB 4.44Å; I466-L500 PolarHBondContact N-O 3.36Å; I466-L500 WeakPolarHBondContact O-CB 3.48Å; I466-L500 PolarHBondContact O-N 3Å; I466-L534 HydrophobicContact CG1-CD2 4.05Å
467	V	98	Very high	90.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.9	174.4	171.2	0	0	0	0	108.8	L352 L353 V355 L393 Q497 T498 L499	L352-V467 CarbonylContact C-O 3.58Å; L352-V467 WeakPolarHBondContact CA-O 3.49Å; L353-V467 HydrophobicContact CB-CB 4.29Å; L353-V467 PolarHBondContact N-O 3.04Å; L353-V467 PolarHBondContact O-N 3.1Å; V355-V467 HydrophobicContact CB-CG2 4.35Å; V355-V467 HydrophobicContact CG1-CB 4.23Å; V355-V467 HydrophobicContact CG1-CG2 3.74Å; V355-V467 HydrophobicContact CG2-CG2 3.61Å; L393-V467 HydrophobicContact CD1-CG1 4.19Å; L393-V467 HydrophobicContact CD1-CG2 3.65Å; V467-Q497 HydrophobicContact CG1-CB 3.82Å; V467-Q497 HydrophobicContact CG1-CG 4.26Å; V467-T498 CarbonylContact C-O 3.51Å; V467-T498 WeakPolarHBondContact CA-O 3.29Å; V467-L499 HydrophobicContact CG2-CD1 3.37Å
468	G	98.2	Very high	92.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142.8	165	0	0	0	0	0	112.8	N351 T498	N351-G468 VanDerWaalsContact O-CA 3.29Å; N351-G468 WeakPolarHBondContact O-CA 3.23Å; G468-T498 PolarHBondContact N-O 2.85Å; G468-T498 PolarHBondContact O-N 3.27Å
469	Y	98.3	Very high	94.7	Very high	12 Å²	12	32 Å²	32	5%	0.047	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	165.2	172.7	74.1	-89.6	0	0	0	108.1	N351 L353 S411 D471 S487	N351-Y469 HydrophobicContact CB-CD1 4.08Å; N351-Y469 HydrophobicContact CB-CD2 4.3Å; N351-Y469 HydrophobicContact CB-CE1 3.54Å; N351-Y469 HydrophobicContact CB-CE2 3.78Å; N351-Y469 HydrophobicContact CB-CG 4.43Å; N351-Y469 PolarHBondContact N-O 2.98Å; N351-Y469 WeakPolarHBondContact ND2-CE2 3.23Å; N351-Y469 PolarHBondContact O-N 3.13Å; N351-Y469 VanDerWaalsContact O-N 3.13Å; L353-Y469 HydrophobicContact CD1-CD1 3.92Å; L353-Y469 HydrophobicContact CD1-CE1 3.6Å; L353-Y469 HydrophobicContact CG-CD1 4.33Å; L353-Y469 HydrophobicContact CG-CE1 3.81Å; S411-Y469 WeakPolarHBondContact CB-OH 3.4Å; S411-Y469 PolarHBondContact OG-OH 2.84Å; Y469-D471 WeakPolarHBondContact CE2-OD1 3.43Å; Y469-S487 VanDerWaalsContact CD2-CA 3.49Å
470	F	98.5	Very high	96	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154	177	63.3	-93.8	0	0	0	113.6	M316 G317 L320 T349 V472 T486 W495	M316-F470 HydrophobicContact CB-CE2 4.06Å; M316-F470 HydrophobicContact CB-CZ 3.9Å; M316-F470 HydrophobicContact CG-CE2 4.29Å; G317-F470 WeakPolarHBondContact O-CE1 3.33Å; L320-F470 HydrophobicContact CB-CB 4.1Å; L320-F470 HydrophobicContact CB-CD1 4.07Å; L320-F470 HydrophobicContact CB-CG 4.19Å; L320-F470 HydrophobicContact CD1-CB 4.25Å; L320-F470 HydrophobicContact CD1-CD2 4.15Å; L320-F470 HydrophobicContact CD1-CG 4.06Å; T349-F470 CarbonylContact O-C 3.56Å; T349-F470 WeakPolarHBondContact O-CA 3.32Å; T349-F470 WeakPolarHBondContact O-CB 3.23Å; F470-V472 HydrophobicContact CD2-CG2 3.78Å; F470-V472 HydrophobicContact CE2-CG2 3.81Å; F470-T486 HydrophobicContact CD1-CG2 4.37Å; F470-T486 HydrophobicContact CD2-CG2 4.13Å; F470-T486 HydrophobicContact CE1-CG2 4Å; F470-T486 HydrophobicContact CE2-CG2 3.74Å; F470-T486 HydrophobicContact CG-CG2 4.44Å; F470-T486 HydrophobicContact CZ-CG2 3.67Å; F470-T486 PolarHBondContact N-OG1 2.9Å; F470-T486 PolarHBondContact O-N 2.67Å; F470-T486 PolarHBondContact O-OG1 2.81Å; F470-W495 HydrophobicContact CE1-CB 4.07Å; F470-W495 HydrophobicContact CE1-CD2 4.33Å; F470-W495 AromaticContact CE1-CG 3.92Å; F470-W495 HydrophobicContact CE1-CG 3.92Å; F470-W495 HydrophobicContact CE2-CD2 4.44Å; F470-W495 HydrophobicContact CE2-CE3 4.5Å; F470-W495 HydrophobicContact CZ-CB 4.15Å; F470-W495 AromaticContact CZ-CD1 3.93Å; F470-W495 AromaticContact CZ-CD2 3.56Å; F470-W495 HydrophobicContact CZ-CD2 3.56Å; F470-W495 AromaticContact CZ-CE2 3.82Å; F470-W495 AromaticContact CZ-CE3 3.98Å; F470-W495 HydrophobicContact CZ-CE3 3.98Å; F470-W495 AromaticContact CZ-CG 3.63Å; F470-W495 HydrophobicContact CZ-CG 3.63Å; F470-W495 HydrophobicContact CZ-CZ2 4.41Å
471	D	98.4	Very high	96.6	Very high	39 Å²	39	35.4 Å²	35.4	21%	0.209	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	151.4	171	-52.2	-45	0	0	0	110.2	Y348 T349 N351 Y469 S485	Y348-D471 WeakPolarHBondContact CA-O 3.33Å; T349-D471 PolarHBondContact N-O 3.19Å; T349-D471 PolarHBondContact O-N 3.2Å; T349-D471 WeakPolarHBondContact OG1-CB 3.17Å; T349-D471 PolarHBondContact OG1-OD2 2.79Å; N351-D471 PolarHBondContact ND2-OD2 3.15Å; Y469-D471 WeakPolarHBondContact CE2-OD1 3.43Å; D471-S485 WeakPolarHBondContact OD1-CA 3.27Å; D471-S485 WeakPolarHBondContact OD1-CB 3.1Å; D471-S485 PolarHBondContact OD1-OG 2.83Å
472	V	98.6	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.7	-179.6	-176.6	0	0	0	0	108.6	M316 P345 H347 Y348 F470 E483 F484	M316-V472 HydrophobicContact CE-CG2 4.19Å; P345-V472 HydrophobicContact CB-CG1 3.34Å; P345-V472 HydrophobicContact CG-CG1 3.58Å; H347-V472 WeakPolarHBondContact O-CA 3.32Å; Y348-V472 HydrophobicContact CD1-CB 4.43Å; Y348-V472 HydrophobicContact CD1-CG1 4.22Å; Y348-V472 HydrophobicContact CD1-CG2 3.79Å; Y348-V472 HydrophobicContact CE1-CB 4.4Å; Y348-V472 HydrophobicContact CE1-CG1 3.79Å; Y348-V472 HydrophobicContact CE1-CG2 3.87Å; F470-V472 HydrophobicContact CD2-CG2 3.78Å; F470-V472 HydrophobicContact CE2-CG2 3.81Å; V472-E483 CarbonylContact O-C 3.51Å; V472-E483 WeakPolarHBondContact O-CA 3.35Å; V472-E483 VanDerWaalsContact O-CB 3.28Å; V472-E483 WeakPolarHBondContact O-CB 3.14Å; V472-F484 HydrophobicContact CB-CD1 4.02Å; V472-F484 HydrophobicContact CB-CD2 4.43Å; V472-F484 HydrophobicContact CB-CE1 3.61Å; V472-F484 HydrophobicContact CB-CE2 4.05Å; V472-F484 HydrophobicContact CB-CG 4.42Å; V472-F484 HydrophobicContact CB-CZ 3.63Å; V472-F484 HydrophobicContact CG1-CD1 4.43Å; V472-F484 HydrophobicContact CG1-CE1 3.76Å; V472-F484 HydrophobicContact CG1-CZ 4.03Å; V472-F484 HydrophobicContact CG2-CD2 4.41Å; V472-F484 HydrophobicContact CG2-CE1 4Å; V472-F484 HydrophobicContact CG2-CE2 3.68Å; V472-F484 HydrophobicContact CG2-CZ 3.45Å; V472-F484 VanDerWaalsContact CG2-CZ 3.45Å; V472-F484 PolarHBondContact N-O 3.2Å; V472-F484 PolarHBondContact O-N 2.81Å
473	R	98.3	Very high	97.2	Very high	80 Å²	80	37.8 Å²	37.8	30%	0.302	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.7	170.7	-51.9	-179.5	-74.7	138.4	2.8	108.8	R346 H347 D476 E483	R346-R473 PolarHBondContact N-O 3.24Å; H347-R473 HydrophobicContact CB-CB 4.13Å; H347-R473 PolarHBondContact N-O 2.79Å; H347-R473 PolarHBondContact O-N 3.3Å; R473-D476 IonicContact CZ-OD1 3.15Å; R473-D476 IonicContact CZ-OD2 3.53Å; R473-D476 IonicContact NH1-OD1 3.34Å; R473-D476 PolarHBondContact NH1-OD1 3.05Å; R473-D476 IonicContact NH1-OD2 3.55Å; R473-D476 PolarHBondContact NH1-OD2 3.45Å; R473-D476 IonicContact NH2-OD2 3.45Å; R473-E483 HydrophobicContact CB-CB 4.19Å; R473-E483 WeakPolarHBondContact CD-OE2 2.94Å; R473-E483 HydrophobicContact CG-CB 3.72Å; R473-E483 WeakPolarHBondContact CG-OE2 3.44Å
474	F	98.3	Very high	97.4	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	19%	0.192	C	C	.	.	S	Bend	trans	-71.1	-51.6	-170.5	-82.1	-106.3	0	0	0	112.6	Y226 F229 F344 P345 R346 V482 F484	Y226-F474 AromaticContact CD1-CE1 3.69Å; Y226-F474 HydrophobicContact CD1-CE1 3.69Å; Y226-F474 AromaticContact CD1-CZ 3.93Å; Y226-F474 HydrophobicContact CD1-CZ 3.93Å; Y226-F474 HydrophobicContact CD2-CE1 4.37Å; Y226-F474 AromaticContact CD2-CZ 3.75Å; Y226-F474 HydrophobicContact CD2-CZ 3.75Å; Y226-F474 AromaticContact CE1-CE1 3.96Å; Y226-F474 HydrophobicContact CE1-CE1 3.96Å; Y226-F474 HydrophobicContact CE1-CZ 4.18Å; Y226-F474 HydrophobicContact CE2-CZ 4.01Å; Y226-F474 AromaticContact CG-CE1 3.92Å; Y226-F474 HydrophobicContact CG-CE1 3.92Å; Y226-F474 AromaticContact CG-CZ 3.7Å; Y226-F474 HydrophobicContact CG-CZ 3.7Å; F229-F474 HydrophobicContact CB-CB 4.34Å; F229-F474 HydrophobicContact CB-CD1 3.57Å; F229-F474 HydrophobicContact CB-CD2 4.42Å; F229-F474 HydrophobicContact CB-CE1 3.87Å; F229-F474 HydrophobicContact CB-CG 3.85Å; F229-F474 HydrophobicContact CB-CZ 4.42Å; F229-F474 HydrophobicContact CD1-CB 4.11Å; F229-F474 AromaticContact CD1-CD1 3.31Å; F229-F474 HydrophobicContact CD1-CD1 3.31Å; F229-F474 HydrophobicContact CD1-CE1 4.03Å; F229-F474 HydrophobicContact CD1-CG 4.03Å; F229-F474 HydrophobicContact CD2-CB 3.27Å; F229-F474 AromaticContact CD2-CD1 3.93Å; F229-F474 HydrophobicContact CD2-CD1 3.93Å; F229-F474 AromaticContact CD2-CG 3.76Å; F229-F474 HydrophobicContact CD2-CG 3.76Å; F229-F474 HydrophobicContact CE1-CB 4.24Å; F229-F474 AromaticContact CE1-CD1 3.93Å; F229-F474 HydrophobicContact CE1-CD1 3.93Å; F229-F474 HydrophobicContact CE2-CB 3.42Å; F229-F474 VanDerWaalsContact CE2-CB 3.42Å; F229-F474 HydrophobicContact CE2-CD1 4.46Å; F229-F474 HydrophobicContact CE2-CG 4.31Å; F229-F474 HydrophobicContact CG-CB 3.63Å; F229-F474 AromaticContact CG-CD1 3.29Å; F229-F474 HydrophobicContact CG-CD1 3.29Å; F229-F474 HydrophobicContact CG-CE1 4.05Å; F229-F474 AromaticContact CG-CG 3.58Å; F229-F474 HydrophobicContact CG-CG 3.58Å; F229-F474 HydrophobicContact CZ-CB 3.91Å; F229-F474 HydrophobicContact CZ-CD1 4.46Å; F344-F474 HydrophobicContact CB-CD1 4.48Å; F344-F474 WeakPolarHBondContact CD1-O 3.47Å; P345-F474 HydrophobicContact CB-CD1 4.14Å; P345-F474 HydrophobicContact CB-CD2 4.4Å; P345-F474 HydrophobicContact CB-CE1 4.37Å; P345-F474 HydrophobicContact CB-CG 4.18Å; P345-F474 HydrophobicContact CG-CD1 4.05Å; P345-F474 HydrophobicContact CG-CE1 3.78Å; P345-F474 HydrophobicContact CG-CE2 4.24Å; P345-F474 HydrophobicContact CG-CG 4.43Å; P345-F474 HydrophobicContact CG-CZ 3.88Å; R346-F474 WeakPolarHBondContact CB-O 3.27Å; R346-F474 PolarHBondContact N-O 3.28Å; F474-V482 HydrophobicContact CD2-CB 4.07Å; F474-V482 HydrophobicContact CD2-CG1 4.02Å; F474-V482 WeakPolarHBondContact CD2-O 3.42Å; F474-V482 HydrophobicContact CE2-CG1 4.13Å; F474-V482 HydrophobicContact CG-CB 4.48Å; F474-V482 PolarHBondContact N-O 2.8Å; F474-F484 HydrophobicContact CE2-CD1 4.09Å; F474-F484 HydrophobicContact CE2-CE1 4Å; F474-F484 HydrophobicContact CZ-CE1 4.48Å
475	D	96.7	Very high	97.5	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	20%	0.197	C	C	.	.			trans	-164.8	129.1	173.3	-171.2	12.4	0	0	0	109.7	F229 Y237 F344 R346 D477 A478	F229-D475 HydrophobicContact CE2-CB 4.19Å; F229-D475 HydrophobicContact CZ-CB 4.2Å; Y237-D475 VanDerWaalsContact CZ-OD2 3.27Å; Y237-D475 PolarHBondContact OH-OD2 3.27Å; F344-D475 HydrophobicContact CD1-CB 4.39Å; F344-D475 HydrophobicContact CE1-CB 3.81Å; R346-D475 IonicContact NH1-OD1 3.77Å; R346-D475 PolarHBondContact NH1-OD1 2.91Å; R346-D475 VanDerWaalsContact NH1-OD1 3.15Å; D475-D477 PolarHBondContact O-N 3.38Å; D475-D477 PolarHBondContact OD1-N 3.44Å; D475-A478 HydrophobicContact CB-CB 4.11Å; D475-A478 WeakPolarHBondContact O-CB 3.43Å; D475-A478 PolarHBondContact O-N 3.14Å
476	D	95.4	Very high	97.5	Very high	59 Å²	59	39.2 Å²	39.2	32%	0.316	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-21.6	179.2	-77	-25.7	0	0	0	112.5	H347 R473 K481	H347-D476 IonicContact NE2-OD2 3.83Å; R473-D476 IonicContact CZ-OD1 3.15Å; R473-D476 IonicContact CZ-OD2 3.53Å; R473-D476 IonicContact NH1-OD1 3.34Å; R473-D476 PolarHBondContact NH1-OD1 3.05Å; R473-D476 IonicContact NH1-OD2 3.55Å; R473-D476 PolarHBondContact NH1-OD2 3.45Å; R473-D476 IonicContact NH2-OD2 3.45Å; D476-K481 WeakPolarHBondContact O-CE 3.25Å; D476-K481 PolarHBondContact O-NZ 2.85Å
477	D	94.8	Very high	97.5	Very high	108 Å²	108	39.4 Å²	39.4	58%	0.578	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-2.4	180	-64.8	-46.9	0	0	0	112.9	K236 R346 D475	K236-D477 PolarHBondContact NZ-O 3.38Å; R346-D477 IonicContact NH1-OD2 3.84Å; R346-D477 PolarHBondContact NH1-OD2 2.99Å; D475-D477 PolarHBondContact O-N 3.38Å; D475-D477 PolarHBondContact OD1-N 3.44Å
478	A	96.1	Very high	97.3	Very high	6 Å²	6	39.8 Å²	39.8	5%	0.05	20%	0.201	C	C	.	.			trans	-67.4	149.7	179.5	0	0	0	0	0	113.2	F229 Y237 D475	F229-A478 HydrophobicContact CE2-CB 3.86Å; Y237-A478 HydrophobicContact CE2-CB 4.05Å; D475-A478 HydrophobicContact CB-CB 4.11Å; D475-A478 WeakPolarHBondContact O-CB 3.43Å; D475-A478 PolarHBondContact O-N 3.14Å
479	D	95.9	Very high	97	Very high	133 Å²	133	44.7 Å²	44.7	71%	0.711	23%	0.231	S	C	*	.	S	Bend	trans	-69.8	-41.5	177.5	-60.7	-18.8	0	0	0	110.2	N233 K236	N233-D479 PolarHBondContact OD1-N 2.82Å; N233-D479 VanDerWaalsContact OD1-N 3.16Å; K236-D479 IonicContact NZ-OD1 2.65Å
480	C	97.4	Very high	96.7	Very high	50 Å²	50	46.1 Å²	46.1	34%	0.338	24%	0.242	S	C	.	.	S	Bend	trans	-111.5	102.6	168.9	-172.4	0	0	0	0	109.3	N233	N233-C480 PolarHBondContact ND2-O 3.35Å; N233-C480 PolarHBondContact OD1-N 3.47Å
481	K	98.1	Very high	96.5	Very high	139 Å²	139	50 Å²	50	60%	0.604	27%	0.267	S	S	*	.			trans	-74.8	133.2	179.8	-53.9	-171.4	-169.3	-152.8	0	110.1	D476	D476-K481 WeakPolarHBondContact O-CE 3.25Å; D476-K481 PolarHBondContact O-NZ 2.85Å
482	V	98.3	Very high	96.2	Very high	19 Å²	19	50.5 Å²	50.5	12%	0.115	27%	0.269	C	S	.	.			trans	-128.5	136.5	177.3	-177.8	0	0	0	0	108.7	S225 N228 F229 F474	S225-V482 WeakPolarHBondContact O-CG1 3.38Å; N228-V482 HydrophobicContact CB-CG2 4.36Å; F229-V482 HydrophobicContact CB-CB 4Å; F229-V482 HydrophobicContact CB-CG1 4.44Å; F229-V482 HydrophobicContact CB-CG2 3.93Å; F229-V482 HydrophobicContact CD2-CB 4.28Å; F229-V482 HydrophobicContact CD2-CG2 4.32Å; F474-V482 HydrophobicContact CD2-CB 4.07Å; F474-V482 HydrophobicContact CD2-CG1 4.02Å; F474-V482 WeakPolarHBondContact CD2-O 3.42Å; F474-V482 HydrophobicContact CE2-CG1 4.13Å; F474-V482 HydrophobicContact CG-CB 4.48Å; F474-V482 PolarHBondContact N-O 2.8Å
483	E	98	Very high	96	Very high	136 Å²	136	50.7 Å²	50.7	64%	0.636	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.4	156.8	176.9	63.1	-177	-160.8	0	0	110.3	V472 R473	V472-E483 CarbonylContact O-C 3.51Å; V472-E483 WeakPolarHBondContact O-CA 3.35Å; V472-E483 VanDerWaalsContact O-CB 3.28Å; V472-E483 WeakPolarHBondContact O-CB 3.14Å; R473-E483 HydrophobicContact CB-CB 4.19Å; R473-E483 WeakPolarHBondContact CD-OE2 2.94Å; R473-E483 HydrophobicContact CG-CB 3.72Å; R473-E483 WeakPolarHBondContact CG-OE2 3.44Å
484	F	98.1	Very high	95.8	Very high	15 Å²	15	47.9 Å²	47.9	7%	0.066	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	163.2	169	67.9	-92.6	0	0	0	110.9	V221 M316 V472 F474 W495	V221-F484 HydrophobicContact CG1-CB 3.73Å; V221-F484 HydrophobicContact CG1-CD2 4.28Å; V221-F484 HydrophobicContact CG1-CG 4.24Å; M316-F484 HydrophobicContact CE-CZ 3.95Å; V472-F484 HydrophobicContact CB-CD1 4.02Å; V472-F484 HydrophobicContact CB-CD2 4.43Å; V472-F484 HydrophobicContact CB-CE1 3.61Å; V472-F484 HydrophobicContact CB-CE2 4.05Å; V472-F484 HydrophobicContact CB-CG 4.42Å; V472-F484 HydrophobicContact CB-CZ 3.63Å; V472-F484 HydrophobicContact CG1-CD1 4.43Å; V472-F484 HydrophobicContact CG1-CE1 3.76Å; V472-F484 HydrophobicContact CG1-CZ 4.03Å; V472-F484 HydrophobicContact CG2-CD2 4.41Å; V472-F484 HydrophobicContact CG2-CE1 4Å; V472-F484 HydrophobicContact CG2-CE2 3.68Å; V472-F484 HydrophobicContact CG2-CZ 3.45Å; V472-F484 VanDerWaalsContact CG2-CZ 3.45Å; V472-F484 PolarHBondContact N-O 3.2Å; V472-F484 PolarHBondContact O-N 2.81Å; F474-F484 HydrophobicContact CE2-CD1 4.09Å; F474-F484 HydrophobicContact CE2-CE1 4Å; F474-F484 HydrophobicContact CZ-CE1 4.48Å; F484-W495 HydrophobicContact CE2-CE3 4.44Å; F484-W495 HydrophobicContact CE2-CH2 4.13Å; F484-W495 AromaticContact CE2-CZ3 3.62Å; F484-W495 HydrophobicContact CE2-CZ3 3.62Å; F484-W495 HydrophobicContact CZ-CH2 4.07Å; F484-W495 HydrophobicContact CZ-CZ3 4.02Å
485	S	97.8	Very high	95.6	Very high	20 Å²	20	48.1 Å²	48.1	14%	0.14	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.1	-179	-177	0	0	0	0	110.4	D471 S487 T490	D471-S485 WeakPolarHBondContact OD1-CA 3.27Å; D471-S485 WeakPolarHBondContact OD1-CB 3.1Å; D471-S485 PolarHBondContact OD1-OG 2.83Å; S485-S487 WeakPolarHBondContact OG-CB 3.42Å; S485-S487 PolarHBondContact OG-N 2.94Å; S485-T490 PolarHBondContact O-OG1 2.99Å
486	T	97.1	Very high	95.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	27%	0.272	C	S	.	.			trans	-98.4	13	167.9	61.5	0	0	0	0	112	F470 T493 W495 Q497	F470-T486 HydrophobicContact CD1-CG2 4.37Å; F470-T486 HydrophobicContact CD2-CG2 4.13Å; F470-T486 HydrophobicContact CE1-CG2 4Å; F470-T486 HydrophobicContact CE2-CG2 3.74Å; F470-T486 HydrophobicContact CG-CG2 4.44Å; F470-T486 HydrophobicContact CZ-CG2 3.67Å; F470-T486 PolarHBondContact N-OG1 2.9Å; F470-T486 PolarHBondContact O-N 2.67Å; F470-T486 PolarHBondContact O-OG1 2.81Å; T486-T493 HydrophobicContact CG2-CG2 4.2Å; T486-T493 WeakPolarHBondContact CG2-OG1 3.1Å; T486-W495 HydrophobicContact CG2-CB 4.17Å; T486-W495 HydrophobicContact CG2-CD2 4.38Å; T486-W495 HydrophobicContact CG2-CE3 3.8Å; T486-Q497 PolarHBondContact O-NE2 2.57Å
487	S	96.5	Very high	95.6	Very high	5 Å²	5	47.8 Å²	47.8	4%	0.035	26%	0.257	C	S	.	.			trans	-54.5	145.8	178.4	175	0	0	0	0	112.1	Y469 S485 T489 T490	Y469-S487 VanDerWaalsContact CD2-CA 3.49Å; S485-S487 WeakPolarHBondContact OG-CB 3.42Å; S485-S487 PolarHBondContact OG-N 2.94Å; S487-T489 PolarHBondContact O-N 2.83Å; S487-T489 PolarHBondContact OG-N 2.83Å; S487-T489 VanDerWaalsContact OG-N 3.13Å; S487-T489 PolarHBondContact OG-OG1 2.95Å; S487-T490 PolarHBondContact N-OG1 2.88Å; S487-T490 PolarHBondContact O-N 2.85Å; S487-T490 VanDerWaalsContact O-N 3.1Å; S487-T490 PolarHBondContact O-OG1 2.86Å
488	P	94.1	Very high	95.7	Very high	7 Å²	7	42.8 Å²	42.8	5%	0.045	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-12.2	170.9	26.8	-34.5	0	0	0	113.6	L353 L393 T394 I405 I407 Q497	L353-P488 HydrophobicContact CD1-CG 3.79Å; L393-P488 HydrophobicContact CB-CB 4.19Å; T394-P488 WeakPolarHBondContact CA-O 3.31Å; I405-P488 HydrophobicContact CD1-CB 4.03Å; I405-P488 HydrophobicContact CD1-CG 4.21Å; I407-P488 HydrophobicContact CD1-CG 4.04Å; P488-Q497 HydrophobicContact CB-CG 4.19Å; P488-Q497 HydrophobicContact CG-CG 4.44Å
489	T	92.4	Very high	95.8	Very high	103 Å²	103	42.5 Å²	42.5	63%	0.632	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-2.5	177.7	65.3	0	0	0	0	114	I407 S487	I407-T489 HydrophobicContact CD1-CG2 3.41Å; I407-T489 VanDerWaalsContact CD1-CG2 3.41Å; S487-T489 PolarHBondContact O-N 2.83Å; S487-T489 PolarHBondContact OG-N 2.83Å; S487-T489 VanDerWaalsContact OG-N 3.13Å; S487-T489 PolarHBondContact OG-OG1 2.95Å
490	T	93	Very high	95.9	Very high	43 Å²	43	36.1 Å²	36.1	26%	0.264	19%	0.194	S	C	.	.	S	Bend	trans	-112	167	178.3	53.2	0	0	0	0	110.4	S485 S487	S485-T490 PolarHBondContact O-OG1 2.99Å; S487-T490 PolarHBondContact N-OG1 2.88Å; S487-T490 PolarHBondContact O-N 2.85Å; S487-T490 VanDerWaalsContact O-N 3.1Å; S487-T490 PolarHBondContact O-OG1 2.86Å
491	P	92.7	Very high	95.9	Very high	82 Å²	82	33.8 Å²	33.8	53%	0.532	18%	0.178	S	C	.	.			trans	-54.7	144.9	176.6	-24.9	34.9	0	0	0	111.8	V221 E396	V221-P491 HydrophobicContact CG2-CB 3.79Å; E396-P491 WeakPolarHBondContact OE1-CA 3.37Å
492	L	93.2	Very high	95.7	Very high	51 Å²	51	27.2 Å²	27.2	27%	0.267	15%	0.149	S	C	.	.			trans	-60.8	138.4	-175.3	-179.1	65.9	0	0	0	111.7	N392 T394 E396 K496	N392-L492 HydrophobicContact CB-CD1 4.05Å; N392-L492 WeakPolarHBondContact ND2-CD2 3.31Å; N392-L492 WeakPolarHBondContact OD1-CD1 3.08Å; T394-L492 HydrophobicContact CG2-CB 4.26Å; T394-L492 HydrophobicContact CG2-CD1 4.02Å; E396-L492 WeakPolarHBondContact OE1-CB 3Å; E396-L492 PolarHBondContact OE1-N 2.8Å; E396-L492 VanDerWaalsContact OE2-CB 3.22Å; E396-L492 WeakPolarHBondContact OE2-CB 3.09Å; L492-K496 HydrophobicContact CD1-CG 4.1Å
493	T	94.8	Very high	95.5	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	16%	0.159	C	C	.	.			trans	-116.6	161	167.1	62.2	0	0	0	0	109.3	D219 V221 T486 W495 K496	D219-T493 WeakPolarHBondContact OD2-CA 3.34Å; D219-T493 VanDerWaalsContact OD2-CB 3.24Å; D219-T493 WeakPolarHBondContact OD2-CB 3.39Å; V221-T493 HydrophobicContact CB-CG2 3.96Å; V221-T493 HydrophobicContact CG1-CG2 3.92Å; T486-T493 HydrophobicContact CG2-CG2 4.2Å; T486-T493 WeakPolarHBondContact CG2-OG1 3.1Å; T493-W495 HydrophobicContact CG2-CE3 4.29Å; T493-W495 PolarHBondContact O-N 3.09Å; T493-K496 PolarHBondContact O-N 3.21Å
494	H	92.6	Very high	95.2	Very high	21 Å²	21	30 Å²	30	10%	0.097	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.4	178.3	73.8	-76.1	0	0	0	112.9	E215 D219 K496	E215-H494 HydrophobicContact CG-CB 3.82Å; D219-H494 IonicContact OD2-CE1 2.78Å; D219-H494 IonicContact OD2-CG 3.61Å; D219-H494 PolarHBondContact OD2-N 3.41Å; D219-H494 IonicContact OD2-ND1 3.94Å; D219-H494 PolarHBondContact OD2-ND1 2.91Å; H494-K496 WeakPolarHBondContact O-CG 3.4Å; H494-K496 PolarHBondContact O-N 2.87Å
495	W	95.2	Very high	94.9	Very high	6 Å²	6	31.3 Å²	31.3	2%	0.023	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24	172.7	-66.2	-70	0	0	0	113.7	R222 E314 M316 Y318 F470 F484 T486 T493	R222-W495 HydrophobicContact CB-CH2 4.07Å; R222-W495 HydrophobicContact CB-CZ3 3.88Å; R222-W495 HydrophobicContact CG-CH2 3.49Å; R222-W495 VanDerWaalsContact CG-CH2 3.49Å; R222-W495 HydrophobicContact CG-CZ3 3.86Å; E314-W495 HydrophobicContact CG-CZ2 4.42Å; E314-W495 VanDerWaalsContact OE1-CZ2 3.3Å; E314-W495 WeakPolarHBondContact OE1-CZ2 3.46Å; M316-W495 HydrophobicContact CB-CZ2 4.22Å; M316-W495 HydrophobicContact CE-CH2 3.64Å; M316-W495 HydrophobicContact CE-CZ2 3.69Å; M316-W495 PolarHBondContact O-NE1 3.11Å; Y318-W495 HydrophobicContact CD1-CB 4.47Å; Y318-W495 VanDerWaalsContact CD1-O 3.27Å; Y318-W495 WeakPolarHBondContact CD1-O 3.28Å; F470-W495 HydrophobicContact CE1-CB 4.07Å; F470-W495 HydrophobicContact CE1-CD2 4.33Å; F470-W495 AromaticContact CE1-CG 3.92Å; F470-W495 HydrophobicContact CE1-CG 3.92Å; F470-W495 HydrophobicContact CE2-CD2 4.44Å; F470-W495 HydrophobicContact CE2-CE3 4.5Å; F470-W495 HydrophobicContact CZ-CB 4.15Å; F470-W495 AromaticContact CZ-CD1 3.93Å; F470-W495 AromaticContact CZ-CD2 3.56Å; F470-W495 HydrophobicContact CZ-CD2 3.56Å; F470-W495 AromaticContact CZ-CE2 3.82Å; F470-W495 AromaticContact CZ-CE3 3.98Å; F470-W495 HydrophobicContact CZ-CE3 3.98Å; F470-W495 AromaticContact CZ-CG 3.63Å; F470-W495 HydrophobicContact CZ-CG 3.63Å; F470-W495 HydrophobicContact CZ-CZ2 4.41Å; F484-W495 HydrophobicContact CE2-CE3 4.44Å; F484-W495 HydrophobicContact CE2-CH2 4.13Å; F484-W495 AromaticContact CE2-CZ3 3.62Å; F484-W495 HydrophobicContact CE2-CZ3 3.62Å; F484-W495 HydrophobicContact CZ-CH2 4.07Å; F484-W495 HydrophobicContact CZ-CZ3 4.02Å; T486-W495 HydrophobicContact CG2-CB 4.17Å; T486-W495 HydrophobicContact CG2-CD2 4.38Å; T486-W495 HydrophobicContact CG2-CE3 3.8Å; T493-W495 HydrophobicContact CG2-CE3 4.29Å; T493-W495 PolarHBondContact O-N 3.09Å
496	K	94.9	Very high	94.7	Very high	54 Å²	54	32.3 Å²	32.3	24%	0.235	17%	0.174	C	C	.	.			trans	53.1	-147.7	179.4	-64.2	154.6	-172.1	137.6	0	109.9	E215 V390 L391 N392 L492 T493 H494	E215-K496 IonicContact OE1-NZ 2.74Å; E215-K496 PolarHBondContact OE1-NZ 3.27Å; V390-K496 HydrophobicContact CG1-CB 3.98Å; V390-K496 HydrophobicContact CG1-CD 4.21Å; L391-K496 WeakPolarHBondContact O-CB 3.21Å; N392-K496 HydrophobicContact CB-CG 4.41Å; L492-K496 HydrophobicContact CD1-CG 4.1Å; T493-K496 PolarHBondContact O-N 3.21Å; H494-K496 WeakPolarHBondContact O-CG 3.4Å; H494-K496 PolarHBondContact O-N 2.87Å
497	Q	96.8	Very high	94.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.9	174.9	-63.1	77.5	42.1	0	0	110.1	V390 L391 L393 V467 T486 P488	V390-Q497 CarbonylContact C-O 3.5Å; V390-Q497 WeakPolarHBondContact CA-O 3.26Å; L391-Q497 PolarHBondContact N-O 2.87Å; L391-Q497 PolarHBondContact O-N 3.35Å; L391-Q497 PolarHBondContact O-OE1 2.76Å; L393-Q497 HydrophobicContact CB-CB 4.48Å; L393-Q497 HydrophobicContact CD1-CB 3.92Å; L393-Q497 HydrophobicContact CG-CB 4.22Å; V467-Q497 HydrophobicContact CG1-CB 3.82Å; V467-Q497 HydrophobicContact CG1-CG 4.26Å; T486-Q497 PolarHBondContact O-NE2 2.57Å; P488-Q497 HydrophobicContact CB-CG 4.19Å; P488-Q497 HydrophobicContact CG-CG 4.44Å
498	T	97.9	Very high	94.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.3	176.1	-52.1	0	0	0	0	109.8	F319 A388 H389 V467 G468 L500	F319-T498 HydrophobicContact CB-CG2 4.38Å; F319-T498 HydrophobicContact CD2-CG2 3.87Å; F319-T498 HydrophobicContact CE2-CG2 4.4Å; F319-T498 HydrophobicContact CG-CG2 4.37Å; A388-T498 HydrophobicContact CB-CG2 3.84Å; H389-T498 CarbonylContact O-C 3.54Å; H389-T498 WeakPolarHBondContact O-CA 3.37Å; V467-T498 CarbonylContact C-O 3.51Å; V467-T498 WeakPolarHBondContact CA-O 3.29Å; G468-T498 PolarHBondContact N-O 2.85Å; G468-T498 PolarHBondContact O-N 3.27Å; T498-L500 HydrophobicContact CG2-CD2 4.16Å
499	L	97.2	Very high	94.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.6	-177.3	-176	79	0	0	0	110.3	V355 L361 H389 L391 L393 A465 V467 F501	V355-L499 HydrophobicContact CG2-CD1 3.99Å; L361-L499 HydrophobicContact CD2-CD2 4.29Å; H389-L499 HydrophobicContact CB-CB 4.24Å; H389-L499 PolarHBondContact N-O 3.04Å; H389-L499 PolarHBondContact O-N 3.41Å; L391-L499 HydrophobicContact CD1-CB 4.42Å; L391-L499 HydrophobicContact CD1-CD2 3.81Å; L393-L499 HydrophobicContact CD1-CB 4.37Å; L393-L499 HydrophobicContact CD1-CD1 4.06Å; A465-L499 HydrophobicContact CB-CD1 3.41Å; A465-L499 VanDerWaalsContact CB-CD1 3.41Å; A465-L499 HydrophobicContact CB-CG 3.97Å; V467-L499 HydrophobicContact CG2-CD1 3.37Å; L499-F501 HydrophobicContact CD2-CD1 4.31Å; L499-F501 HydrophobicContact CD2-CD2 4.1Å; L499-F501 HydrophobicContact CD2-CE1 3.75Å; L499-F501 HydrophobicContact CD2-CE2 3.51Å; L499-F501 HydrophobicContact CD2-CG 4.46Å; L499-F501 HydrophobicContact CD2-CZ 3.31Å; L499-F501 HydrophobicContact CG-CE2 4.4Å; L499-F501 HydrophobicContact CG-CZ 4.44Å
500	L	97.7	Very high	94.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	97.2	177.4	-50.8	-179.7	0	0	0	108.6	F319 A388 A465 I466 T498 I518 I532 F549	F319-L500 HydrophobicContact CE2-CD1 4.47Å; F319-L500 HydrophobicContact CZ-CD1 4.26Å; A388-L500 HydrophobicContact CB-CD2 3.7Å; A465-L500 VanDerWaalsContact CA-O 3.25Å; A465-L500 WeakPolarHBondContact CA-O 3.21Å; A465-L500 WeakPolarHBondContact CB-O 3.44Å; I466-L500 HydrophobicContact CB-CB 4.44Å; I466-L500 PolarHBondContact N-O 3.36Å; I466-L500 WeakPolarHBondContact O-CB 3.48Å; I466-L500 PolarHBondContact O-N 3Å; T498-L500 HydrophobicContact CG2-CD2 4.16Å; L500-I518 HydrophobicContact CD1-CD1 4.48Å; L500-I532 HydrophobicContact CD1-CG2 3.97Å; L500-I532 HydrophobicContact CD2-CD1 4.21Å; L500-F549 HydrophobicContact CB-CD1 4.33Å; L500-F549 HydrophobicContact CB-CD2 4.23Å; L500-F549 HydrophobicContact CB-CE1 4.02Å; L500-F549 HydrophobicContact CB-CE2 3.92Å; L500-F549 HydrophobicContact CB-CG 4.43Å; L500-F549 HydrophobicContact CB-CZ 3.81Å; L500-F549 HydrophobicContact CD1-CD2 4.35Å; L500-F549 HydrophobicContact CD1-CE2 4.48Å; L500-F549 HydrophobicContact CD2-CB 4.01Å; L500-F549 HydrophobicContact CD2-CD1 4.15Å; L500-F549 HydrophobicContact CD2-CD2 4.08Å; L500-F549 HydrophobicContact CD2-CG 3.82Å; L500-F549 HydrophobicContact CG-CD2 4.45Å
501	F	96.9	Very high	94.1	Very high	1 Å²	1	46 Å²	46	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	135.5	-178.4	-79.3	-72.8	0	0	0	112.4	L361 R362 R365 L366 L385 H389 A465 L499 Q547 F549	L361-F501 HydrophobicContact CG-CZ 4.48Å; R362-F501 HydrophobicContact CG-CE1 4.36Å; R365-F501 HydrophobicContact CB-CE2 3.69Å; R365-F501 HydrophobicContact CB-CZ 3.84Å; R365-F501 HydrophobicContact CG-CE2 4.26Å; R365-F501 HydrophobicContact CG-CZ 4.3Å; L366-F501 HydrophobicContact CD1-CB 3.58Å; L366-F501 HydrophobicContact CD1-CD1 3.52Å; L366-F501 HydrophobicContact CD1-CD2 3.83Å; L366-F501 HydrophobicContact CD1-CE1 4.07Å; L366-F501 HydrophobicContact CD1-CE2 4.35Å; L366-F501 HydrophobicContact CD1-CG 3.38Å; L366-F501 HydrophobicContact CD1-CZ 4.45Å; L366-F501 HydrophobicContact CD2-CD2 4.26Å; L366-F501 HydrophobicContact CG-CB 4.49Å; L366-F501 HydrophobicContact CG-CD1 4.34Å; L366-F501 HydrophobicContact CG-CD2 3.95Å; L366-F501 HydrophobicContact CG-CE2 4.18Å; L366-F501 HydrophobicContact CG-CG 4.04Å; L366-F501 HydrophobicContact CG-CZ 4.46Å; L385-F501 HydrophobicContact CD2-CB 4.2Å; H389-F501 AromaticContact CD2-CD2 3.61Å; H389-F501 AromaticContact CD2-CE2 3.85Å; H389-F501 AromaticContact NE2-CD2 3.85Å; A465-F501 HydrophobicContact CB-CD1 4.29Å; L499-F501 HydrophobicContact CD2-CD1 4.31Å; L499-F501 HydrophobicContact CD2-CD2 4.1Å; L499-F501 HydrophobicContact CD2-CE1 3.75Å; L499-F501 HydrophobicContact CD2-CE2 3.51Å; L499-F501 HydrophobicContact CD2-CG 4.46Å; L499-F501 HydrophobicContact CD2-CZ 3.31Å; L499-F501 HydrophobicContact CG-CE2 4.4Å; L499-F501 HydrophobicContact CG-CZ 4.44Å; F501-Q547 PolarHBondContact O-NE2 2.95Å; F501-F549 VanDerWaalsContact O-CE1 3.31Å; F501-F549 WeakPolarHBondContact O-CE1 3.36Å; F501-F549 VanDerWaalsContact O-CZ 3.31Å; F501-F549 WeakPolarHBondContact O-CZ 3.27Å
502	L	95.6	Very high	94.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	138.4	164.4	-55.6	-179.3	0	0	0	109.6	R362 L463 D464 K504 I506 L534 I536 Q547	R362-L502 PolarHBondContact NH2-O 2.85Å; L463-L502 HydrophobicContact CD2-CD1 4.11Å; L463-L502 HydrophobicContact CG-CD1 4Å; D464-L502 WeakPolarHBondContact O-CB 3.47Å; D464-L502 PolarHBondContact O-N 3.31Å; L502-K504 PolarHBondContact O-N 2.66Å; L502-I506 HydrophobicContact CD1-CD1 3.9Å; L502-I506 HydrophobicContact CD1-CG1 3.98Å; L502-L534 HydrophobicContact CD2-CD2 3.9Å; L502-I536 HydrophobicContact CD1-CD1 4.48Å; L502-I536 HydrophobicContact CD2-CD1 3.91Å; L502-Q547 VanDerWaalsContact CA-OE1 3.31Å
503	D	93.1	Very high	94	Very high	60 Å²	60	47.5 Å²	47.5	32%	0.321	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	-44.4	178.8	176.5	31.1	0	0	0	111.2	R362 R381 L385	R362-D503 PolarHBondContact NH2-O 2.8Å; R381-D503 IonicContact CZ-OD1 2.81Å; R381-D503 IonicContact NH1-OD1 2.94Å; R381-D503 PolarHBondContact NH1-OD1 2.84Å; R381-D503 PolarHBondContact NH2-O 3.06Å; R381-D503 IonicContact NH2-OD1 3.29Å; R381-D503 PolarHBondContact NH2-OD1 2.79Å; L385-D503 HydrophobicContact CD1-CB 4.05Å; L385-D503 VanDerWaalsContact CD1-OD1 3.25Å; L385-D503 WeakPolarHBondContact CD1-OD1 3.25Å; L385-D503 HydrophobicContact CD2-CB 4.41Å
504	K	91.3	Very high	93.9	Very high	153 Å²	153	48 Å²	48	67%	0.665	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.7	174.1	-65.8	-178.1	-176.1	174.7	0	110.1	L502	L502-K504 PolarHBondContact O-N 2.66Å
505	P	92.6	Very high	93.9	Very high	44 Å²	44	47.4 Å²	47.4	29%	0.286	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	143.2	176	-18.4	31.9	0	0	0	111.2	E462 L463 D464	E462-P505 HydrophobicContact CB-CB 3.9Å; L463-P505 CarbonylContact O-C 3.56Å; L463-P505 VanDerWaalsContact O-CA 3.23Å; L463-P505 WeakPolarHBondContact O-CA 3.14Å; D464-P505 WeakPolarHBondContact OD1-CG 3.44Å
506	I	92.8	Very high	93.9	Very high	41 Å²	41	47.6 Å²	47.6	21%	0.21	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.3	177.2	-49.4	177.3	0	0	0	108.4	E462 L463 L502 V508 I545	E462-I506 CarbonylContact C-O 3.51Å; E462-I506 WeakPolarHBondContact CA-O 3.49Å; L463-I506 HydrophobicContact CB-CB 4.28Å; L463-I506 HydrophobicContact CD2-CD1 4.3Å; L463-I506 PolarHBondContact N-O 2.66Å; L463-I506 PolarHBondContact O-N 3.29Å; L502-I506 HydrophobicContact CD1-CD1 3.9Å; L502-I506 HydrophobicContact CD1-CG1 3.98Å; I506-V508 HydrophobicContact CB-CG1 4.43Å; I506-V508 HydrophobicContact CG2-CG1 4.05Å; I506-V508 PolarHBondContact O-N 3.01Å; I506-I545 HydrophobicContact CD1-CD1 3.41Å; I506-I545 VanDerWaalsContact CD1-CD1 3.41Å; I506-I545 HydrophobicContact CG1-CD1 3.83Å
507	R	93	Very high	93.9	Very high	193 Å²	193	47.5 Å²	47.5	73%	0.728	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.5	173.1	-71.2	-176.5	176	175.1	0.1	110.3	Y461 E462	Y461-R507 WeakPolarHBondContact O-CA 3.37Å; E462-R507 HydrophobicContact CG-CG 4.32Å; E462-R507 IonicContact OE1-NE 3.64Å
508	V	92.3	Very high	93.9	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	159.3	-175.5	-63.2	0	0	0	0	111.7	L408 I446 Y461 L463 I506 D512 I514	L408-V508 HydrophobicContact CD1-CG2 4.23Å; I446-V508 HydrophobicContact CD1-CB 4.16Å; I446-V508 HydrophobicContact CD1-CG1 4.43Å; I446-V508 HydrophobicContact CD1-CG2 3.76Å; I446-V508 HydrophobicContact CG1-CB 3.96Å; I446-V508 HydrophobicContact CG1-CG1 4.43Å; I446-V508 HydrophobicContact CG1-CG2 4.02Å; I446-V508 HydrophobicContact CG2-CG2 4.24Å; Y461-V508 PolarHBondContact N-O 2.94Å; Y461-V508 PolarHBondContact O-N 3.02Å; L463-V508 HydrophobicContact CB-CG1 4.35Å; L463-V508 HydrophobicContact CB-CG2 4.37Å; I506-V508 HydrophobicContact CB-CG1 4.43Å; I506-V508 HydrophobicContact CG2-CG1 4.05Å; I506-V508 PolarHBondContact O-N 3.01Å; V508-D512 WeakPolarHBondContact CA-OD2 3.47Å; V508-I514 HydrophobicContact CG1-CD1 3.97Å
509	K	92.6	Very high	93.8	Very high	133 Å²	133	47.8 Å²	47.8	58%	0.578	25%	0.245	S	C	*	.			trans	-128.4	157.1	176	-64	177.7	-175.9	175.7	0	110.1	I446 G511 D512	I446-K509 WeakPolarHBondContact CB-O 3.34Å; I446-K509 WeakPolarHBondContact CG2-O 3.42Å; K509-G511 PolarHBondContact O-N 2.84Å; K509-D512 PolarHBondContact N-OD2 3.23Å; K509-D512 VanDerWaalsContact O-CB 3.27Å; K509-D512 WeakPolarHBondContact O-CB 3.44Å; K509-D512 PolarHBondContact O-N 3.06Å
510	P	91.9	Very high	93.6	Very high	58 Å²	58	47.8 Å²	47.8	38%	0.377	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	131.9	170.8	-27.2	35.5	0	0	0	112.1	P448 Y461	P448-P510 HydrophobicContact CB-CG 4.4Å; P448-P510 HydrophobicContact CG-CB 3.98Å; P448-P510 HydrophobicContact CG-CG 4.37Å; Y461-P510 HydrophobicContact CE2-CG 3.82Å
511	G	90.8	Very high	93.4	Very high	59 Å²	59	51.2 Å²	51.2	61%	0.608	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-14	-176.3	0	0	0	0	0	114.7	I446 K509	I446-G511 PolarHBondContact O-N 3.24Å; K509-G511 PolarHBondContact O-N 2.84Å
512	D	92.1	Very high	93.1	Very high	66 Å²	66	52.8 Å²	52.8	35%	0.353	26%	0.264	S	S	.	.			trans	-63.7	142	171	-69.7	-13.4	0	0	0	109.9	I446 V508 K509	I446-D512 HydrophobicContact CG1-CB 4.12Å; I446-D512 WeakPolarHBondContact CG1-O 3.3Å; I446-D512 PolarHBondContact N-O 3.41Å; V508-D512 WeakPolarHBondContact CA-OD2 3.47Å; K509-D512 PolarHBondContact N-OD2 3.23Å; K509-D512 VanDerWaalsContact O-CB 3.27Å; K509-D512 WeakPolarHBondContact O-CB 3.44Å; K509-D512 PolarHBondContact O-N 3.06Å
513	K	92	Very high	92.7	Very high	98 Å²	98	53 Å²	53	43%	0.426	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.7	178.8	-171.2	-174.3	-178.9	-159.9	0	109.2	H443	H443-K513 WeakPolarHBondContact CD2-CE 3.31Å; H443-K513 PolarHBondContact CD2-NZ 3.33Å; H443-K513 VanDerWaalsContact CG-CE 3.48Å; H443-K513 PolarHBondContact NE2-NZ 3.02Å
514	I	92.3	Very high	92.1	Very high	14 Å²	14	56.1 Å²	56.1	7%	0.072	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	112	174.6	-53.8	-58.8	0	0	0	107.8	H443 L444 L463 V508 I536	H443-I514 CarbonylContact C-O 3.49Å; H443-I514 WeakPolarHBondContact CA-O 3.06Å; L444-I514 HydrophobicContact CB-CB 4.39Å; L444-I514 PolarHBondContact N-O 2.96Å; L444-I514 PolarHBondContact O-N 3.23Å; L463-I514 HydrophobicContact CD2-CG1 4.07Å; L463-I514 HydrophobicContact CD2-CG2 4.24Å; V508-I514 HydrophobicContact CG1-CD1 3.97Å; I514-I536 HydrophobicContact CG2-CD1 4.44Å; I514-I536 HydrophobicContact CG2-CG2 3.69Å
515	S	93.6	Very high	91.5	Very high	8 Å²	8	53.7 Å²	53.7	6%	0.056	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	144.2	-179.7	-48.4	0	0	0	0	110.2	F442 H443 G537	F442-S515 WeakPolarHBondContact O-CA 3.33Å; H443-S515 PolarHBondContact CD2-OG 3.01Å; H443-S515 VanDerWaalsContact CD2-OG 3.31Å; S515-G537 PolarHBondContact O-N 3.19Å; S515-G537 VanDerWaalsContact O-N 3.12Å
516	G	93.9	Very high	90.9	Very high	11 Å²	11	52.6 Å²	52.6	11%	0.113	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	-179	178.8	0	0	0	0	0	113.8	K441 F442 L535	K441-G516 CarbonylContact C-O 3.57Å; K441-G516 VanDerWaalsContact CA-O 3.27Å; K441-G516 WeakPolarHBondContact CA-O 3.19Å; F442-G516 PolarHBondContact N-O 3.39Å; F442-G516 PolarHBondContact O-N 2.99Å; G516-L535 CarbonylContact C-O 3.57Å; G516-L535 WeakPolarHBondContact CA-O 3.46Å
517	I	95.2	Very high	90.3	Very high	52 Å²	52	54.2 Å²	54.2	27%	0.267	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.5	169.9	-64.6	165.3	0	0	0	106.9	E439 Q440 K441 L535	E439-I517 HydrophobicContact CG-CG2 3.99Å; Q440-I517 WeakPolarHBondContact O-CA 3.44Å; K441-I517 HydrophobicContact CG-CG1 3.8Å; I517-L535 HydrophobicContact CB-CB 4.38Å; I517-L535 HydrophobicContact CD1-CD2 4.38Å; I517-L535 PolarHBondContact N-O 3.41Å; I517-L535 PolarHBondContact O-N 2.77Å
518	I	96.4	Very high	89.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.6	168.2	-172.1	171.5	0	0	0	108.5	F319 L352 L414 E439 Q440 F442 L500 I520 I532 N533	F319-I518 HydrophobicContact CE1-CD1 4.42Å; F319-I518 HydrophobicContact CZ-CD1 4.04Å; L352-I518 HydrophobicContact CD1-CD1 4.36Å; L352-I518 HydrophobicContact CD1-CG2 4.4Å; L352-I518 HydrophobicContact CD2-CD1 4.43Å; L414-I518 HydrophobicContact CD1-CG2 3.22Å; L414-I518 HydrophobicContact CD2-CD1 4.22Å; L414-I518 HydrophobicContact CD2-CG2 3.45Å; L414-I518 VanDerWaalsContact CD2-CG2 3.45Å; L414-I518 HydrophobicContact CG-CG2 3.9Å; E439-I518 WeakPolarHBondContact CA-O 3.2Å; Q440-I518 PolarHBondContact N-O 2.88Å; Q440-I518 PolarHBondContact O-N 2.88Å; F442-I518 HydrophobicContact CD1-CB 4.18Å; F442-I518 HydrophobicContact CD1-CG2 4.08Å; F442-I518 HydrophobicContact CE1-CB 4.32Å; L500-I518 HydrophobicContact CD1-CD1 4.48Å; I518-I520 HydrophobicContact CG1-CG1 4.48Å; I518-I532 HydrophobicContact CD1-CG2 3.75Å; I518-I532 HydrophobicContact CG1-CG2 3.83Å; I518-N533 CarbonylContact C-O 3.59Å; I518-N533 VanDerWaalsContact CA-O 3.3Å; I518-N533 WeakPolarHBondContact CA-O 3.46Å
519	T	95.4	Very high	89.8	Confident	10 Å²	10	46.3 Å²	46.3	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.7	178	-49.4	0	0	0	0	109.3	L436 C438 E439 R521 N533	L436-T519 HydrophobicContact CD1-CG2 3.41Å; L436-T519 VanDerWaalsContact CD1-CG2 3.41Å; C438-T519 CarbonylContact O-C 3.52Å; C438-T519 VanDerWaalsContact O-CA 3.31Å; C438-T519 WeakPolarHBondContact O-CA 3.37Å; E439-T519 HydrophobicContact CB-CG2 4.02Å; E439-T519 HydrophobicContact CG-CG2 4.31Å; E439-T519 WeakPolarHBondContact CG-OG1 3.42Å; E439-T519 WeakPolarHBondContact OE2-CG2 3.19Å; E439-T519 PolarHBondContact OE2-OG1 2.74Å; T519-R521 HydrophobicContact CG2-CG 4.3Å; T519-N533 PolarHBondContact N-O 3.1Å; T519-N533 PolarHBondContact O-N 2.83Å
520	I	94.8	Very high	89.8	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.2	-179.3	-49.8	174.4	0	0	0	108.1	F319 F321 L350 L414 L437 C438 I518 L530 I532	F319-I520 HydrophobicContact CD1-CD1 4.16Å; F319-I520 HydrophobicContact CE1-CD1 3.66Å; F319-I520 HydrophobicContact CE1-CG1 4.18Å; F321-I520 HydrophobicContact CD2-CD1 4.39Å; L350-I520 HydrophobicContact CD2-CD1 3.62Å; L414-I520 HydrophobicContact CD2-CD1 4.2Å; L437-I520 HydrophobicContact CB-CB 4.43Å; L437-I520 HydrophobicContact CB-CG2 4.33Å; L437-I520 HydrophobicContact CD1-CG2 4.07Å; L437-I520 PolarHBondContact N-O 2.73Å; C438-I520 HydrophobicContact CB-CB 4.24Å; C438-I520 HydrophobicContact CB-CD1 4.17Å; C438-I520 HydrophobicContact CB-CG1 4.32Å; C438-I520 PolarHBondContact N-O 3.3Å; C438-I520 PolarHBondContact O-N 3.33Å; I518-I520 HydrophobicContact CG1-CG1 4.48Å; I520-L530 HydrophobicContact CG2-CD1 4.27Å; I520-L530 HydrophobicContact CG2-CD2 4.42Å; I520-I532 HydrophobicContact CG2-CG1 4.48Å
521	R	92.1	Very high	89.9	Confident	72 Å²	72	39.5 Å²	39.5	27%	0.272	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157.7	177	-60.9	-173.3	173.4	89.7	6.6	111.3	S435 L436 T519 L530 E531 N533	S435-R521 CarbonylContact O-C 3.26Å; S435-R521 WeakPolarHBondContact O-CA 3.44Å; S435-R521 VanDerWaalsContact O-CB 3.28Å; S435-R521 WeakPolarHBondContact O-CB 3.36Å; L436-R521 HydrophobicContact CD1-CG 4.11Å; T519-R521 HydrophobicContact CG2-CG 4.3Å; R521-L530 CarbonylContact O-C 3.57Å; R521-L530 VanDerWaalsContact O-CA 3.26Å; R521-L530 WeakPolarHBondContact O-CA 3.46Å; R521-E531 HydrophobicContact CB-CB 4.42Å; R521-E531 PolarHBondContact N-O 2.83Å; R521-E531 PolarHBondContact O-N 2.93Å; R521-N533 PolarHBondContact NH1-ND2 3.39Å
522	R	90.2	Very high	90.2	Very high	34 Å²	34	36.7 Å²	36.7	13%	0.128	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.2	160.8	-63.6	171.5	169.3	-71.3	-9.5	108.4	S324 D327 S435 L437 N527	S324-R522 PolarHBondContact OG-NH1 3.35Å; D327-R522 IonicContact OD1-NH2 3.37Å; D327-R522 IonicContact OD2-CZ 2.66Å; D327-R522 IonicContact OD2-NH2 2.78Å; D327-R522 PolarHBondContact OD2-NH2 2.96Å; S435-R522 PolarHBondContact O-N 3.06Å; L437-R522 HydrophobicContact CD1-CG 4.32Å; L437-R522 HydrophobicContact CD2-CG 4.02Å; L437-R522 HydrophobicContact CG-CG 4.26Å; R522-N527 PolarHBondContact NH1-O 2.89Å
523	A	87.4	Confident	90.4	Very high	3 Å²	3	34.9 Å²	34.9	3%	0.025	18%	0.182	C	C	.	.			trans	-66.1	142.9	177.5	0	0	0	0	0	110.2	T525 D526 G529	A523-T525 VanDerWaalsContact C-N 3.31Å; A523-D526 WeakPolarHBondContact CB-O 3.33Å; A523-D526 CarbonylContact O-C 3.57Å; A523-G529 PolarHBondContact N-O 2.81Å
524	T	81.4	Confident	90.7	Very high	127 Å²	127	30.3 Å²	30.3	78%	0.779	16%	0.162	S	C	*	.	S	Bend	trans	-76.3	-22.4	-179.7	55.1	0	0	0	0	113
525	T	78.3	Confident	90.8	Very high	101 Å²	101	32.1 Å²	32.1	62%	0.62	17%	0.172	S	C	*	.	S	Bend	trans	-90.6	-20.6	177.5	51.5	0	0	0	0	112.7	N199 A523	N199-T525 PolarHBondContact ND2-O 2.9Å; A523-T525 VanDerWaalsContact C-N 3.31Å
526	D	80	Confident	90.7	Very high	22 Å²	22	32.1 Å²	32.1	12%	0.118	17%	0.171	C	C	.	.			trans	-144.8	110.3	179.4	-177.2	6.5	0	0	0	111.3	N199 A523 R528 G529 I552	N199-D526 WeakPolarHBondContact ND2-CA 3.42Å; N199-D526 PolarHBondContact ND2-OD1 3.31Å; A523-D526 WeakPolarHBondContact CB-O 3.33Å; A523-D526 CarbonylContact O-C 3.57Å; D526-R528 PolarHBondContact O-N 3.44Å; D526-R528 PolarHBondContact OD1-N 3.49Å; D526-G529 PolarHBondContact O-N 3.12Å; D526-G529 PolarHBondContact OD2-N 3.13Å; D526-I552 HydrophobicContact CB-CG2 4.09Å
527	N	79.6	Confident	90	Very high	74 Å²	74	33.4 Å²	33.4	40%	0.396	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.5	179.4	-72.3	-11.4	0	0	0	113.6	E197 S324 R522	E197-N527 PolarHBondContact OE2-ND2 3.02Å; S324-N527 PolarHBondContact OG-O 3.01Å; R522-N527 PolarHBondContact NH1-O 2.89Å
528	R	84.7	Confident	88.1	Confident	30 Å²	30	37.6 Å²	37.6	11%	0.113	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-14.7	175.2	-69.2	-173.4	-180	-95.8	1.9	113.6	D200 Y203 F322 E323 D526	D200-R528 IonicContact OD1-CZ 2.93Å; D200-R528 IonicContact OD1-NE 3.23Å; D200-R528 PolarHBondContact OD1-NE 3.41Å; D200-R528 IonicContact OD1-NH2 3.39Å; D200-R528 PolarHBondContact OD1-NH2 2.94Å; D200-R528 VanDerWaalsContact OD1-NH2 3.07Å; D200-R528 IonicContact OD2-NH2 3.59Å; D200-R528 PolarHBondContact OD2-NH2 2.74Å; Y203-R528 VanDerWaalsContact CZ-NH1 3.3Å; F322-R528 WeakPolarHBondContact CD2-O 3.23Å; E323-R528 PolarHBondContact N-O 3.4Å; E323-R528 PolarHBondContact O-NH1 2.75Å; D526-R528 PolarHBondContact O-N 3.44Å; D526-R528 PolarHBondContact OD1-N 3.49Å
529	G	90	Very high	85.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-82.3	167.2	175.7	0	0	0	0	0	113.1	A523 D526 L551	A523-G529 PolarHBondContact N-O 2.81Å; D526-G529 PolarHBondContact O-N 3.12Å; D526-G529 PolarHBondContact OD2-N 3.13Å; G529-L551 CarbonylContact C-O 3.44Å; G529-L551 WeakPolarHBondContact CA-O 3.43Å
530	L	93.4	Very high	83.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.7	177.2	-52.9	-179.3	0	0	0	111.7	F319 F321 F322 L437 I520 R521 I532 L551	F319-L530 HydrophobicContact CB-CD1 4.34Å; F319-L530 HydrophobicContact CD1-CD1 4.41Å; F321-L530 HydrophobicContact CB-CD1 4.06Å; F321-L530 HydrophobicContact CB-CD2 4.07Å; F322-L530 HydrophobicContact CB-CD1 4.35Å; L437-L530 HydrophobicContact CD1-CD2 3.56Å; I520-L530 HydrophobicContact CG2-CD1 4.27Å; I520-L530 HydrophobicContact CG2-CD2 4.42Å; R521-L530 CarbonylContact O-C 3.57Å; R521-L530 VanDerWaalsContact O-CA 3.26Å; R521-L530 WeakPolarHBondContact O-CA 3.46Å; L530-I532 HydrophobicContact CB-CG1 4.37Å; L530-L551 HydrophobicContact CB-CB 4.18Å; L530-L551 HydrophobicContact CD1-CD2 4.1Å; L530-L551 PolarHBondContact N-O 2.83Å; L530-L551 PolarHBondContact O-N 3.4Å
531	E	95	Very high	81.3	Confident	48 Å²	48	58 Å²	58	22%	0.224	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.8	162.4	-176.3	-164.1	89.2	0	0	108.1	R521 N533 T548	R521-E531 HydrophobicContact CB-CB 4.42Å; R521-E531 PolarHBondContact N-O 2.83Å; R521-E531 PolarHBondContact O-N 2.93Å; E531-N533 PolarHBondContact OE1-ND2 2.91Å; E531-T548 HydrophobicContact CG-CG2 3.56Å
532	I	96.7	Very high	79.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	112.9	-178.4	-56.2	163.3	0	0	0	108.3	F319 A388 L500 I518 I520 L530 T548 F549	F319-I532 HydrophobicContact CD1-CD1 3.64Å; F319-I532 HydrophobicContact CD1-CG1 4.32Å; F319-I532 HydrophobicContact CE1-CD1 3.62Å; F319-I532 HydrophobicContact CE1-CG1 4.1Å; F319-I532 HydrophobicContact CE1-CG2 4.36Å; F319-I532 HydrophobicContact CG-CD1 4.19Å; F319-I532 HydrophobicContact CZ-CD1 4.11Å; A388-I532 HydrophobicContact CB-CD1 4.48Å; L500-I532 HydrophobicContact CD1-CG2 3.97Å; L500-I532 HydrophobicContact CD2-CD1 4.21Å; I518-I532 HydrophobicContact CD1-CG2 3.75Å; I518-I532 HydrophobicContact CG1-CG2 3.83Å; I520-I532 HydrophobicContact CG2-CG1 4.48Å; L530-I532 HydrophobicContact CB-CG1 4.37Å; I532-T548 CarbonylContact O-C 3.55Å; I532-T548 WeakPolarHBondContact O-CA 3.41Å; I532-F549 HydrophobicContact CB-CB 4.34Å; I532-F549 PolarHBondContact N-O 2.76Å; I532-F549 PolarHBondContact O-N 3.01Å
533	N	96.5	Very high	78.5	Confident	28 Å²	28	63.1 Å²	63.1	15%	0.15	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.3	175.9	-64.3	-82.4	0	0	0	109.5	I518 T519 R521 E531 T548	I518-N533 CarbonylContact C-O 3.59Å; I518-N533 VanDerWaalsContact CA-O 3.3Å; I518-N533 WeakPolarHBondContact CA-O 3.46Å; T519-N533 PolarHBondContact N-O 3.1Å; T519-N533 PolarHBondContact O-N 2.83Å; R521-N533 PolarHBondContact NH1-ND2 3.39Å; E531-N533 PolarHBondContact OE1-ND2 2.91Å; N533-T548 WeakPolarHBondContact OD1-CG2 3.39Å; N533-T548 PolarHBondContact OD1-OG1 3.01Å
534	L	96.7	Very high	78.4	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.9	178.8	-177.3	65.1	0	0	0	109.9	F442 I466 L502 I536 K546 Q547 F549	F442-L534 HydrophobicContact CE1-CD1 3.6Å; F442-L534 HydrophobicContact CZ-CD1 3.7Å; I466-L534 HydrophobicContact CG1-CD2 4.05Å; L502-L534 HydrophobicContact CD2-CD2 3.9Å; L534-I536 HydrophobicContact CD1-CG1 4.24Å; L534-I536 HydrophobicContact CD2-CD1 4.06Å; L534-I536 HydrophobicContact CG-CD1 4.27Å; L534-I536 HydrophobicContact CG-CG1 4.17Å; L534-K546 WeakPolarHBondContact O-CA 3.04Å; L534-Q547 PolarHBondContact N-O 3Å; L534-Q547 PolarHBondContact O-N 2.87Å; L534-F549 HydrophobicContact CB-CD2 4.47Å; L534-F549 HydrophobicContact CB-CE2 3.84Å; L534-F549 HydrophobicContact CD2-CE2 4.01Å; L534-F549 HydrophobicContact CD2-CZ 4.46Å
535	L	94.9	Very high	78.8	Confident	52 Å²	52	65.3 Å²	65.3	27%	0.272	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	116	172.6	-178.2	68	0	0	0	109.3	G516 I517 E544 I545 K546	G516-L535 CarbonylContact C-O 3.57Å; G516-L535 WeakPolarHBondContact CA-O 3.46Å; I517-L535 HydrophobicContact CB-CB 4.38Å; I517-L535 HydrophobicContact CD1-CD2 4.38Å; I517-L535 PolarHBondContact N-O 3.41Å; I517-L535 PolarHBondContact O-N 2.77Å; L535-E544 HydrophobicContact CD1-CG 3.76Å; L535-E544 WeakPolarHBondContact CD1-OE1 3.47Å; L535-I545 CarbonylContact C-O 3.6Å; L535-I545 WeakPolarHBondContact CA-O 3.41Å; L535-K546 HydrophobicContact CD1-CB 4.21Å
536	I	92.4	Very high	79.5	Confident	9 Å²	9	68.4 Å²	68.4	5%	0.046	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124	174.3	-62.1	170.4	0	0	0	108.4	F442 L502 I514 L534 I545	F442-I536 HydrophobicContact CZ-CG1 4.01Å; L502-I536 HydrophobicContact CD1-CD1 4.48Å; L502-I536 HydrophobicContact CD2-CD1 3.91Å; I514-I536 HydrophobicContact CG2-CD1 4.44Å; I514-I536 HydrophobicContact CG2-CG2 3.69Å; L534-I536 HydrophobicContact CD1-CG1 4.24Å; L534-I536 HydrophobicContact CD2-CD1 4.06Å; L534-I536 HydrophobicContact CG-CD1 4.27Å; L534-I536 HydrophobicContact CG-CG1 4.17Å; I536-I545 HydrophobicContact CB-CB 4.25Å; I536-I545 PolarHBondContact N-O 3.31Å; I536-I545 PolarHBondContact O-N 2.89Å
537	G	78.3	Confident	80.3	Confident	37 Å²	37	68.5 Å²	68.5	38%	0.381	35%	0.353	S	S	.	.			trans	178.8	99.9	179.1	0	0	0	0	0	112.6	S515	S515-G537 PolarHBondContact O-N 3.19Å; S515-G537 VanDerWaalsContact O-N 3.12Å
538	E	55	Low	81.1	Confident	141 Å²	141	67.2 Å²	67.2	66%	0.659	35%	0.348	S	S	*	.			trans	-169.7	52.8	159.2	-129	180	-149.9	0	0	111.5
539	T	48.5	Very low	81.6	Confident	73 Å²	73	65.8 Å²	65.8	45%	0.448	34%	0.342	S	S	.	.	S	Bend	trans	-121.9	139	155.1	71.6	0	0	0	0	107.7	N541 S542	T539-N541 PolarHBondContact O-N 2.76Å; T539-S542 PolarHBondContact N-OG 2.97Å; T539-S542 PolarHBondContact O-N 3.42Å; T539-S542 VanDerWaalsContact O-N 3.1Å; T539-S542 PolarHBondContact O-OG 3.33Å; T539-S542 WeakPolarHBondContact OG1-CB 3.43Å; T539-S542 PolarHBondContact OG1-N 3.32Å; T539-S542 PolarHBondContact OG1-OG 2.86Å
540	E	47.4	Very low	81.9	Confident	199 Å²	199	68.9 Å²	68.9	93%	0.93	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-8.8	-174	-68.4	179.9	154.4	0	0	114.4
541	N	49.2	Very low	81.9	Confident	165 Å²	165	69.2 Å²	69.2	88%	0.882	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	10.1	-178.6	-67.5	-47.6	0	0	0	115.6	T539	T539-N541 PolarHBondContact O-N 2.76Å
542	S	56.9	Low	81.3	Confident	55 Å²	55	70.9 Å²	70.9	39%	0.385	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-94.7	141.3	-178.8	53	0	0	0	0	113.7	T539 E544	T539-S542 PolarHBondContact N-OG 2.97Å; T539-S542 PolarHBondContact O-N 3.42Å; T539-S542 VanDerWaalsContact O-N 3.1Å; T539-S542 PolarHBondContact O-OG 3.33Å; T539-S542 WeakPolarHBondContact OG1-CB 3.43Å; T539-S542 PolarHBondContact OG1-N 3.32Å; T539-S542 PolarHBondContact OG1-OG 2.86Å; S542-E544 PolarHBondContact O-N 3.45Å
543	L	66.7	Low	79.9	Confident	160 Å²	160	76.4 Å²	76.4	84%	0.838	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-55.9	131.2	162.6	-91.3	124.6	0	0	0	110	I545	L543-I545 PolarHBondContact O-N 2.75Å
544	E	84.6	Confident	79.1	Confident	141 Å²	141	78.8 Å²	78.8	66%	0.659	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-64.1	121.6	167.5	-174.8	179	-160.8	0	0	108.7	L535 S542	L535-E544 HydrophobicContact CD1-CG 3.76Å; L535-E544 WeakPolarHBondContact CD1-OE1 3.47Å; S542-E544 PolarHBondContact O-N 3.45Å
545	I	89.9	Confident	78.1	Confident	35 Å²	35	82.8 Å²	82.8	18%	0.179	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122	175	-60	172.3	0	0	0	107.5	I506 L535 I536 L543 Q547	I506-I545 HydrophobicContact CD1-CD1 3.41Å; I506-I545 VanDerWaalsContact CD1-CD1 3.41Å; I506-I545 HydrophobicContact CG1-CD1 3.83Å; L535-I545 CarbonylContact C-O 3.6Å; L535-I545 WeakPolarHBondContact CA-O 3.41Å; I536-I545 HydrophobicContact CB-CB 4.25Å; I536-I545 PolarHBondContact N-O 3.31Å; I536-I545 PolarHBondContact O-N 2.89Å; L543-I545 PolarHBondContact O-N 2.75Å; I545-Q547 HydrophobicContact CG2-CG 4.14Å
546	K	93.3	Very high	77.2	Confident	166 Å²	166	84.6 Å²	84.6	72%	0.722	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	116.1	172.9	-176	179	179.2	178.8	0	108.9	L534 L535	L534-K546 WeakPolarHBondContact O-CA 3.04Å; L535-K546 HydrophobicContact CD1-CB 4.21Å
547	Q	95.9	Very high	76.3	Confident	24 Å²	24	89 Å²	89	11%	0.112	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.9	177.1	-72.3	-179	-115.4	0	0	110.2	F501 L502 L534 I545 F549	F501-Q547 PolarHBondContact O-NE2 2.95Å; L502-Q547 VanDerWaalsContact CA-OE1 3.31Å; L534-Q547 PolarHBondContact N-O 3Å; L534-Q547 PolarHBondContact O-N 2.87Å; I545-Q547 HydrophobicContact CG2-CG 4.14Å; Q547-F549 HydrophobicContact CB-CE2 3.71Å; Q547-F549 HydrophobicContact CB-CZ 3.75Å
548	T	96.4	Very high	76.2	Confident	47 Å²	47	92.3 Å²	92.3	29%	0.288	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.3	173.6	-57.3	0	0	0	0	107.5	E531 I532 N533	E531-T548 HydrophobicContact CG-CG2 3.56Å; I532-T548 CarbonylContact O-C 3.55Å; I532-T548 WeakPolarHBondContact O-CA 3.41Å; N533-T548 WeakPolarHBondContact OD1-CG2 3.39Å; N533-T548 PolarHBondContact OD1-OG1 3.01Å
549	F	96.8	Very high	77.6	Confident	0 Å²	0	89 Å²	89	0%	0	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.3	-179.8	-53.2	-91.7	0	0	0	109.7	L385 S386 A388 L500 F501 I532 L534 Q547	L385-F549 WeakPolarHBondContact O-CD1 3.34Å; L385-F549 WeakPolarHBondContact O-CE1 3.23Å; S386-F549 CarbonylContact O-C 3.59Å; S386-F549 VanDerWaalsContact O-CA 3.23Å; S386-F549 WeakPolarHBondContact O-CA 3.4Å; A388-F549 HydrophobicContact CB-CB 4.15Å; L500-F549 HydrophobicContact CB-CD1 4.33Å; L500-F549 HydrophobicContact CB-CD2 4.23Å; L500-F549 HydrophobicContact CB-CE1 4.02Å; L500-F549 HydrophobicContact CB-CE2 3.92Å; L500-F549 HydrophobicContact CB-CG 4.43Å; L500-F549 HydrophobicContact CB-CZ 3.81Å; L500-F549 HydrophobicContact CD1-CD2 4.35Å; L500-F549 HydrophobicContact CD1-CE2 4.48Å; L500-F549 HydrophobicContact CD2-CB 4.01Å; L500-F549 HydrophobicContact CD2-CD1 4.15Å; L500-F549 HydrophobicContact CD2-CD2 4.08Å; L500-F549 HydrophobicContact CD2-CG 3.82Å; L500-F549 HydrophobicContact CG-CD2 4.45Å; F501-F549 VanDerWaalsContact O-CE1 3.31Å; F501-F549 WeakPolarHBondContact O-CE1 3.36Å; F501-F549 VanDerWaalsContact O-CZ 3.31Å; F501-F549 WeakPolarHBondContact O-CZ 3.27Å; I532-F549 HydrophobicContact CB-CB 4.34Å; I532-F549 PolarHBondContact N-O 2.76Å; I532-F549 PolarHBondContact O-N 3.01Å; L534-F549 HydrophobicContact CB-CD2 4.47Å; L534-F549 HydrophobicContact CB-CE2 3.84Å; L534-F549 HydrophobicContact CD2-CE2 4.01Å; L534-F549 HydrophobicContact CD2-CZ 4.46Å; Q547-F549 HydrophobicContact CB-CE2 3.71Å; Q547-F549 HydrophobicContact CB-CZ 3.75Å
550	D	94.8	Very high	79.7	Confident	64 Å²	64	90.1 Å²	90.1	34%	0.342	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.6	172.7	-61.5	-44.3	0	0	0	108.8	S386 A388 I552	S386-D550 PolarHBondContact O-N 3.45Å; A388-D550 PolarHBondContact N-O 3.42Å; D550-I552 HydrophobicContact CB-CD1 3.95Å; D550-I552 HydrophobicContact CB-CG1 4.17Å
551	L	93	Very high	82.2	Confident	8 Å²	8	81.8 Å²	81.8	4%	0.042	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	96.3	169.4	-176.7	63	0	0	0	107.1	F319 F322 A388 V390 G529 L530	F319-L551 HydrophobicContact CB-CD2 4.08Å; F322-L551 HydrophobicContact CB-CD2 4.17Å; F322-L551 HydrophobicContact CD2-CD2 4.01Å; F322-L551 HydrophobicContact CD2-CG 3.82Å; F322-L551 HydrophobicContact CE2-CG 4.2Å; F322-L551 WeakPolarHBondContact CE2-O 3.24Å; F322-L551 HydrophobicContact CG-CD2 4.29Å; F322-L551 HydrophobicContact CG-CG 4.48Å; A388-L551 HydrophobicContact CB-CB 3.92Å; A388-L551 HydrophobicContact CB-CD1 4.06Å; A388-L551 HydrophobicContact CB-CG 4.49Å; V390-L551 HydrophobicContact CG2-CD1 3.66Å; G529-L551 CarbonylContact C-O 3.44Å; G529-L551 WeakPolarHBondContact CA-O 3.43Å; L530-L551 HydrophobicContact CB-CB 4.18Å; L530-L551 HydrophobicContact CD1-CD2 4.1Å; L530-L551 PolarHBondContact N-O 2.83Å; L530-L551 PolarHBondContact O-N 3.4Å
552	I	83.7	Confident	84.9	Confident	83 Å²	83	74.8 Å²	74.8	43%	0.426	43%	0.432	S	S	.	.			trans	-121.2	144.7	-174.5	-57.2	171.5	0	0	0	108.1	D526 D550	D526-I552 HydrophobicContact CB-CG2 4.09Å; D550-I552 HydrophobicContact CB-CD1 3.95Å; D550-I552 HydrophobicContact CB-CG1 4.17Å
553	G	66.8	Low	87.5	Confident	115 Å²	115	76.6 Å²	76.6	100%	1.186	44%	0.436	S	S	*	.			trans	-76.2	0	-179.2	0	0	0	0	0	115.6

Retrieved 553 of 553 residues in 533.9 ms (Link to these results)

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