A0A077Z2L8_TRITR Loading...

Kinase

AlphaFold DB , UniProt , Accession A0A077Z2L8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 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	42.7	Very low	31.8	Very low	246 Å²	246	148.9 Å²	148.9	100%	1.212	83%	0.826	S	S	*	*				0	92.1	0	-69.8	175.6	-170.4	0	0	107.2
2	T	33.9	Very low	31.4	Very low	140 Å²	140	145.3 Å²	145.3	86%	0.859	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-99.4	124.4	-178.3	8.5	0	0	0	0	107.9
3	P	36.6	Very low	31.1	Very low	120 Å²	120	143.1 Å²	143.1	78%	0.779	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-79.3	129.9	-177.8	30.8	-30.1	0	0	0	109.9
4	C	32	Very low	30.7	Very low	131 Å²	131	145.7 Å²	145.7	89%	0.885	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-72.9	127.7	176.6	-153.2	0	0	0	0	109.2	S6	C4-S6 PolarHBondContact O-N 3.34Å
5	H	35.1	Very low	30.4	Very low	177 Å²	177	143.8 Å²	143.8	82%	0.819	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-61.2	122.5	176.2	-80.7	-83.9	0	0	0	111	V7	H5-V7 PolarHBondContact O-N 3.31Å
6	S	31.1	Very low	30.1	Very low	118 Å²	118	140.7 Å²	140.7	83%	0.825	80%	0.804	S	S	*	*			trans	-70.8	110.1	166	51.6	0	0	0	0	109.6	C4 S8	C4-S6 PolarHBondContact O-N 3.34Å; S6-S8 PolarHBondContact O-N 3.33Å
7	V	30.1	Very low	29.8	Very low	116 Å²	116	139.1 Å²	139.1	70%	0.703	80%	0.797	S	S	*	*			trans	-79.4	109.5	167.7	178.2	0	0	0	0	107.8	H5 F9	H5-V7 PolarHBondContact O-N 3.31Å; V7-F9 HydrophobicContact CG1-CD2 4.29Å; V7-F9 HydrophobicContact CG1-CE2 4.24Å; V7-F9 PolarHBondContact O-N 3Å
8	S	27.5	Very low	30	Very low	104 Å²	104	137.2 Å²	137.2	73%	0.727	79%	0.791	S	S	*	*			trans	-73.3	110.9	169.9	58.1	0	0	0	0	109.4	S6 D10	S6-S8 PolarHBondContact O-N 3.33Å; S8-D10 PolarHBondContact O-N 3.32Å
9	F	26.9	Very low	30.3	Very low	169 Å²	169	136.8 Å²	136.8	74%	0.741	79%	0.79	S	S	*	*			trans	-80.3	89.9	163.2	-90.8	-90.2	0	0	0	108.7	V7 K11	V7-F9 HydrophobicContact CG1-CD2 4.29Å; V7-F9 HydrophobicContact CG1-CE2 4.24Å; V7-F9 PolarHBondContact O-N 3Å; F9-K11 VanDerWaalsContact C-N 3.28Å; F9-K11 HydrophobicContact CD1-CG 4.47Å; F9-K11 PolarHBondContact O-N 3.45Å; F9-K11 VanDerWaalsContact O-N 3.09Å
10	D	26.4	Very low	30.9	Very low	154 Å²	154	136.2 Å²	136.2	82%	0.824	79%	0.789	S	S	*	*			trans	-73.4	90.8	157	-103.6	-26.7	0	0	0	107.6	S8 S12	S8-D10 PolarHBondContact O-N 3.32Å; D10-S12 PolarHBondContact O-N 2.87Å
11	K	28	Very low	31.9	Very low	163 Å²	163	132.7 Å²	132.7	71%	0.709	77%	0.769	S	S	*	*			trans	-90.6	87.6	159.7	-78.2	-173.6	177.4	-179.3	0	107	F9 V13	F9-K11 VanDerWaalsContact C-N 3.28Å; F9-K11 HydrophobicContact CD1-CG 4.47Å; F9-K11 PolarHBondContact O-N 3.45Å; F9-K11 VanDerWaalsContact O-N 3.09Å; K11-V13 VanDerWaalsContact C-N 3.27Å; K11-V13 PolarHBondContact O-N 3.27Å
12	S	26.6	Very low	32.9	Very low	105 Å²	105	124.6 Å²	124.6	73%	0.734	74%	0.735	S	S	*	*			trans	-58.6	97.4	156	51.4	0	0	0	0	107.5	D10 E14	D10-S12 PolarHBondContact O-N 2.87Å; S12-E14 PolarHBondContact O-N 3.4Å
13	V	27.9	Very low	33.8	Very low	117 Å²	117	123.5 Å²	123.5	71%	0.709	72%	0.723	S	S	*	*			trans	-70.2	89.4	162.8	-179.2	0	0	0	0	104.9	K11 T15	K11-V13 VanDerWaalsContact C-N 3.27Å; K11-V13 PolarHBondContact O-N 3.27Å; V13-T15 PolarHBondContact O-N 3.41Å
14	E	25.1	Very low	34.7	Very low	180 Å²	180	124.5 Å²	124.5	84%	0.841	72%	0.718	S	S	*	*			trans	-59.2	97.1	159.2	-89	-177.8	152	0	0	106	S12 A16	S12-E14 PolarHBondContact O-N 3.4Å; E14-A16 PolarHBondContact O-N 3.39Å
15	T	26	Very low	36.2	Very low	117 Å²	117	123.7 Å²	123.7	72%	0.718	70%	0.699	S	S	*	*			trans	-58.7	94.3	159.5	36.2	0	0	0	0	106.3	V13 V17	V13-T15 PolarHBondContact O-N 3.41Å; T15-V17 VanDerWaalsContact C-N 3.3Å; T15-V17 PolarHBondContact O-N 3.44Å
16	A	26.6	Very low	38	Very low	94 Å²	94	117.9 Å²	117.9	78%	0.777	67%	0.67	S	S	*	*			trans	-55.6	100.3	167.8	0	0	0	0	0	107	E14	E14-A16 PolarHBondContact O-N 3.39Å
17	V	23.7	Very low	39.5	Very low	114 Å²	114	115.1 Å²	115.1	69%	0.691	65%	0.646	S	S	*	*			trans	-56.4	122.6	170	-179	0	0	0	0	105.3	T15 V19	T15-V17 VanDerWaalsContact C-N 3.3Å; T15-V17 PolarHBondContact O-N 3.44Å; V17-V19 PolarHBondContact O-N 3.07Å
18	P	34.1	Very low	41.1	Very low	105 Å²	105	115.9 Å²	115.9	68%	0.682	64%	0.642	S	S	*	*			trans	-60.3	112.5	176.2	23.9	-28.7	0	0	0	105.9	V20	P18-V20 VanDerWaalsContact C-N 3.27Å; P18-V20 PolarHBondContact O-N 3.11Å
19	V	36.5	Very low	43.1	Very low	129 Å²	129	115.4 Å²	115.4	78%	0.782	63%	0.631	S	S	*	*			trans	-63.5	98.5	176.1	177.2	0	0	0	0	105.4	V17 V21	V17-V19 PolarHBondContact O-N 3.07Å; V19-V21 VanDerWaalsContact C-N 3.31Å; V19-V21 PolarHBondContact O-N 3.33Å
20	V	41.7	Very low	45.1	Very low	125 Å²	125	108.3 Å²	108.3	76%	0.758	60%	0.599	S	S	*	*			trans	-66.5	98.8	174.2	-178.2	0	0	0	0	105.4	P18 P22	P18-V20 VanDerWaalsContact C-N 3.27Å; P18-V20 PolarHBondContact O-N 3.11Å; V20-P22 WeakPolarHBondContact O-CD 3.49Å
21	V	51.9	Low	47	Very low	62 Å²	62	105.3 Å²	105.3	38%	0.376	58%	0.583	S	S	.	*			trans	-62.9	124.9	173.2	-169	0	0	0	0	106.2	V19 L23 K25 W26	V19-V21 VanDerWaalsContact C-N 3.31Å; V19-V21 PolarHBondContact O-N 3.33Å; V21-L23 PolarHBondContact O-N 2.95Å; V21-K25 HydrophobicContact CG1-CB 3.88Å; V21-K25 HydrophobicContact CG1-CD 4.02Å; V21-K25 HydrophobicContact CG1-CG 3.82Å; V21-W26 HydrophobicContact CB-CB 4.41Å; V21-W26 HydrophobicContact CG1-CB 4.16Å
22	P	63.5	Low	48.6	Very low	77 Å²	77	101.8 Å²	101.8	50%	0.5	58%	0.584	S	S	.	*			trans	-51.9	137.6	175.6	-26.5	34.2	0	0	0	109.9	V20 E24 K25 W26	V20-P22 WeakPolarHBondContact O-CD 3.49Å; P22-E24 PolarHBondContact O-N 3.49Å; P22-E24 VanDerWaalsContact O-N 3.14Å; P22-K25 HydrophobicContact CB-CB 4.3Å; P22-K25 WeakPolarHBondContact O-CA 3.4Å; P22-K25 WeakPolarHBondContact O-CB 3.32Å; P22-K25 PolarHBondContact O-N 3.34Å; P22-W26 PolarHBondContact O-N 3.27Å
23	L	52.8	Low	50.5	Low	117 Å²	117	100.8 Å²	100.8	61%	0.613	58%	0.577	S	S	*	*	H	α-helix	trans	-52.8	-39.8	-175	179.3	62.8	0	0	0	111.6	V21 W26 L27	V21-L23 PolarHBondContact O-N 2.95Å; L23-W26 HydrophobicContact CD1-CE3 3.98Å; L23-W26 HydrophobicContact CD1-CZ3 4.33Å; L23-W26 PolarHBondContact O-N 3.48Å; L23-L27 HydrophobicContact CD1-CD1 3.94Å; L23-L27 HydrophobicContact CG-CD1 3.92Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 PolarHBondContact O-N 3.33Å
24	E	55.2	Low	52.4	Low	141 Å²	141	97.8 Å²	97.8	66%	0.659	55%	0.553	S	S	*	*	H	α-helix	trans	-62.1	-41.9	174.2	-71.2	90.4	-173.8	0	0	113	P22 L27 Q28	P22-E24 PolarHBondContact O-N 3.49Å; P22-E24 VanDerWaalsContact O-N 3.14Å; E24-L27 PolarHBondContact O-N 3.24Å; E24-Q28 WeakPolarHBondContact O-CB 3.18Å; E24-Q28 VanDerWaalsContact O-CG 3.31Å; E24-Q28 WeakPolarHBondContact O-CG 2.97Å; E24-Q28 PolarHBondContact O-N 3.09Å
25	K	64.6	Low	54.4	Low	113 Å²	113	91.4 Å²	91.4	49%	0.491	53%	0.526	S	S	.	.	H	α-helix	trans	-68.9	-41.5	179.2	-177.9	174.5	179.6	-179.9	0	111.2	V21 P22 L27 Q28 D29	V21-K25 HydrophobicContact CG1-CB 3.88Å; V21-K25 HydrophobicContact CG1-CD 4.02Å; V21-K25 HydrophobicContact CG1-CG 3.82Å; P22-K25 HydrophobicContact CB-CB 4.3Å; P22-K25 WeakPolarHBondContact O-CA 3.4Å; P22-K25 WeakPolarHBondContact O-CB 3.32Å; P22-K25 PolarHBondContact O-N 3.34Å; K25-L27 VanDerWaalsContact C-N 3.35Å; K25-L27 PolarHBondContact O-N 3.18Å; K25-Q28 PolarHBondContact O-N 3.46Å; K25-D29 WeakPolarHBondContact O-CB 3.34Å; K25-D29 VanDerWaalsContact O-CG 3.32Å; K25-D29 PolarHBondContact O-N 3.01Å
26	W	72.7	Confident	56.8	Low	55 Å²	55	87 Å²	87	21%	0.208	50%	0.497	C	S	.	.	H	α-helix	trans	-60	-45.4	173.2	172.4	90.9	0	0	0	111.4	V21 P22 L23 Q28 R30 D49	V21-W26 HydrophobicContact CB-CB 4.41Å; V21-W26 HydrophobicContact CG1-CB 4.16Å; P22-W26 PolarHBondContact O-N 3.27Å; L23-W26 HydrophobicContact CD1-CE3 3.98Å; L23-W26 HydrophobicContact CD1-CZ3 4.33Å; L23-W26 PolarHBondContact O-N 3.48Å; W26-Q28 PolarHBondContact O-N 3.19Å; W26-R30 WeakPolarHBondContact O-CB 3.16Å; W26-R30 PolarHBondContact O-N 3.35Å; W26-D49 VanDerWaalsContact CE2-OD1 3.29Å; W26-D49 WeakPolarHBondContact CZ2-OD1 3.1Å; W26-D49 PolarHBondContact NE1-OD1 2.72Å
27	L	61.3	Low	59	Low	61 Å²	61	83.1 Å²	83.1	32%	0.319	46%	0.463	S	S	.	.	H	α-helix	trans	-61.8	-42.9	175.4	-100.2	138.2	0	0	0	111.5	L23 E24 K25 R30 L31	L23-L27 HydrophobicContact CD1-CD1 3.94Å; L23-L27 HydrophobicContact CG-CD1 3.92Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 PolarHBondContact O-N 3.33Å; E24-L27 PolarHBondContact O-N 3.24Å; K25-L27 VanDerWaalsContact C-N 3.35Å; K25-L27 PolarHBondContact O-N 3.18Å; L27-R30 PolarHBondContact O-N 3.12Å; L27-L31 HydrophobicContact CD2-CD1 4.32Å; L27-L31 VanDerWaalsContact O-CB 3.24Å; L27-L31 WeakPolarHBondContact O-CB 3.12Å; L27-L31 WeakPolarHBondContact O-CD1 3.4Å; L27-L31 WeakPolarHBondContact O-CG 3.29Å; L27-L31 PolarHBondContact O-N 3.48Å
28	Q	65	Low	61	Low	132 Å²	132	78.8 Å²	78.8	62%	0.617	44%	0.438	S	S	*	.	H	α-helix	trans	-62	-52.2	177	-80.1	179.7	-7.5	0	0	112.1	E24 K25 W26 R30 L31 A32	E24-Q28 WeakPolarHBondContact O-CB 3.18Å; E24-Q28 VanDerWaalsContact O-CG 3.31Å; E24-Q28 WeakPolarHBondContact O-CG 2.97Å; E24-Q28 PolarHBondContact O-N 3.09Å; K25-Q28 PolarHBondContact O-N 3.46Å; W26-Q28 PolarHBondContact O-N 3.19Å; Q28-R30 PolarHBondContact O-N 2.82Å; Q28-L31 PolarHBondContact O-N 3.09Å; Q28-A32 VanDerWaalsContact O-CB 3.31Å; Q28-A32 WeakPolarHBondContact O-CB 3.18Å; Q28-A32 PolarHBondContact O-N 3.31Å
29	D	69.2	Low	62.6	Low	93 Å²	93	76.4 Å²	76.4	50%	0.497	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-36.4	-179.7	-69.1	-20.3	0	0	0	111	K25 S33	K25-D29 WeakPolarHBondContact O-CB 3.34Å; K25-D29 VanDerWaalsContact O-CG 3.32Å; K25-D29 PolarHBondContact O-N 3.01Å; D29-S33 PolarHBondContact O-N 3.22Å; D29-S33 PolarHBondContact O-OG 3.49Å
30	R	67.6	Low	64	Low	21 Å²	21	76.8 Å²	76.8	8%	0.079	43%	0.425	C	S	.	.	H	α-helix	trans	-74.4	-41.4	178.5	-166.4	169.3	171	-148.9	-0.8	112.6	W26 L27 Q28 A32 S33 W34 P46 S48 T51 D98	W26-R30 WeakPolarHBondContact O-CB 3.16Å; W26-R30 PolarHBondContact O-N 3.35Å; L27-R30 PolarHBondContact O-N 3.12Å; Q28-R30 PolarHBondContact O-N 2.82Å; R30-A32 VanDerWaalsContact C-N 3.26Å; R30-A32 PolarHBondContact O-N 2.97Å; R30-S33 PolarHBondContact O-N 2.88Å; R30-S33 PolarHBondContact O-OG 3.26Å; R30-W34 VanDerWaalsContact O-CB 3.25Å; R30-W34 WeakPolarHBondContact O-CB 3.37Å; R30-W34 PolarHBondContact O-N 3.06Å; R30-P46 HydrophobicContact CG-CB 4.1Å; R30-P46 HydrophobicContact CG-CG 3.97Å; R30-P46 VanDerWaalsContact CZ-CB 3.48Å; R30-S48 PolarHBondContact NH1-O 2.97Å; R30-S48 PolarHBondContact NH2-O 3.02Å; R30-T51 PolarHBondContact NH2-O 2.67Å; R30-D98 IonicContact NH2-OD2 3.44Å; R30-D98 PolarHBondContact NH2-OD2 3.05Å; R30-D98 VanDerWaalsContact NH2-OD2 3.1Å
31	L	66.1	Low	65.3	Low	91 Å²	91	77.2 Å²	77.2	48%	0.476	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-33.1	173.2	-74.1	168.4	0	0	0	111.6	L27 Q28 S33 P46	L27-L31 HydrophobicContact CD2-CD1 4.32Å; L27-L31 VanDerWaalsContact O-CB 3.24Å; L27-L31 WeakPolarHBondContact O-CB 3.12Å; L27-L31 WeakPolarHBondContact O-CD1 3.4Å; L27-L31 WeakPolarHBondContact O-CG 3.29Å; L27-L31 PolarHBondContact O-N 3.48Å; Q28-L31 PolarHBondContact O-N 3.09Å; L31-S33 VanDerWaalsContact C-N 3.35Å; L31-P46 HydrophobicContact CD2-CG 4.09Å
32	A	63.4	Low	66.3	Low	88 Å²	88	77 Å²	77	73%	0.727	43%	0.433	S	S	*	.	H	α-helix	trans	-69.4	-30	177.3	0	0	0	0	0	113.4	Q28 R30	Q28-A32 VanDerWaalsContact O-CB 3.31Å; Q28-A32 WeakPolarHBondContact O-CB 3.18Å; Q28-A32 PolarHBondContact O-N 3.31Å; R30-A32 VanDerWaalsContact C-N 3.26Å; R30-A32 PolarHBondContact O-N 2.97Å
33	S	65.8	Low	67.2	Low	84 Å²	84	75.1 Å²	75.1	59%	0.587	42%	0.421	S	S	*	.	H	α-helix	trans	-95.2	-17.5	178.3	53.8	0	0	0	0	113.8	D29 R30 L31	D29-S33 PolarHBondContact O-N 3.22Å; D29-S33 PolarHBondContact O-OG 3.49Å; R30-S33 PolarHBondContact O-N 2.88Å; R30-S33 PolarHBondContact O-OG 3.26Å; L31-S33 VanDerWaalsContact C-N 3.35Å
34	W	68.4	Low	68.8	Low	54 Å²	54	71 Å²	71	21%	0.205	40%	0.399	C	S	.	.			trans	-67	135.5	178.2	178.5	-111.2	0	0	0	111.5	R30 I44 P46 L52 T100	R30-W34 VanDerWaalsContact O-CB 3.25Å; R30-W34 WeakPolarHBondContact O-CB 3.37Å; R30-W34 PolarHBondContact O-N 3.06Å; W34-I44 HydrophobicContact CH2-CG2 4.28Å; W34-I44 HydrophobicContact CZ2-CB 4.23Å; W34-I44 HydrophobicContact CZ2-CG2 3.57Å; W34-P46 HydrophobicContact CG-CG 4.45Å; W34-L52 HydrophobicContact CE3-CD2 4.06Å; W34-L52 HydrophobicContact CH2-CD1 3.25Å; W34-L52 HydrophobicContact CH2-CD2 3.69Å; W34-L52 HydrophobicContact CH2-CG 4.1Å; W34-L52 HydrophobicContact CZ2-CD1 4.05Å; W34-L52 HydrophobicContact CZ2-CD2 4.19Å; W34-L52 HydrophobicContact CZ3-CD1 3.76Å; W34-L52 HydrophobicContact CZ3-CD2 3.58Å; W34-L52 HydrophobicContact CZ3-CG 4.3Å; W34-T100 HydrophobicContact CZ3-CG2 4.28Å
35	V	67	Low	70.3	Confident	46 Å²	46	66.5 Å²	66.5	28%	0.279	38%	0.381	S	S	.	.			trans	-129.1	114.5	175.4	-179.9	0	0	0	0	109.6	L37 K180	V35-L37 HydrophobicContact CG1-CD2 3.97Å; V35-K180 HydrophobicContact CB-CD 4.1Å; V35-K180 HydrophobicContact CG1-CD 4.07Å; V35-K180 HydrophobicContact CG2-CD 4Å; V35-K180 VanDerWaalsContact CG2-NZ 3.32Å
36	Q	75.4	Confident	71.5	Confident	26 Å²	26	61.6 Å²	61.6	12%	0.121	36%	0.361	C	S	.	.			trans	-88.4	109.9	166	-175.2	175.1	-14.3	0	0	109.2	S38 H40 T43 K188	Q36-S38 VanDerWaalsContact CG-O 3.24Å; Q36-S38 WeakPolarHBondContact CG-O 3.3Å; Q36-S38 PolarHBondContact NE2-O 3.4Å; Q36-H40 PolarHBondContact NE2-O 3.43Å; Q36-T43 PolarHBondContact NE2-OG1 3.04Å; Q36-K188 PolarHBondContact O-NZ 2.89Å
37	L	73	Confident	72.3	Confident	12 Å²	12	60.4 Å²	60.4	6%	0.063	36%	0.362	C	S	.	.			trans	-72.5	-46.8	-178.7	-73.9	-172	0	0	0	112.7	V35 I108 D110 A178 K180 T186 K188 L246	V35-L37 HydrophobicContact CG1-CD2 3.97Å; L37-I108 HydrophobicContact CD1-CB 3.75Å; L37-I108 HydrophobicContact CD1-CG2 3.29Å; L37-I108 HydrophobicContact CG-CG2 4.24Å; L37-D110 HydrophobicContact CD1-CB 4.32Å; L37-A178 HydrophobicContact CB-CB 3.89Å; L37-A178 HydrophobicContact CD1-CB 4.48Å; L37-A178 HydrophobicContact CD2-CB 4.38Å; L37-K180 HydrophobicContact CD2-CB 3.7Å; L37-T186 HydrophobicContact CD2-CG2 4.15Å; L37-K188 WeakPolarHBondContact O-CD 3.48Å; L37-K188 WeakPolarHBondContact O-CE 3.38Å; L37-K188 PolarHBondContact O-NZ 3.33Å; L37-L246 HydrophobicContact CD1-CD1 4.45Å
38	S	66.2	Low	73.6	Confident	22 Å²	22	59.6 Å²	59.6	15%	0.154	36%	0.362	C	S	.	.	S	Bend	trans	-135.9	172.5	-172.8	74.6	0	0	0	0	111.3	Q36 D110	Q36-S38 VanDerWaalsContact CG-O 3.24Å; Q36-S38 WeakPolarHBondContact CG-O 3.3Å; Q36-S38 PolarHBondContact NE2-O 3.4Å; S38-D110 VanDerWaalsContact CB-OD2 3.24Å; S38-D110 WeakPolarHBondContact CB-OD2 3.39Å; S38-D110 PolarHBondContact OG-OD2 2.9Å
39	G	66.8	Low	74.6	Confident	55 Å²	55	57.2 Å²	57.2	57%	0.567	35%	0.353	S	S	*	.	S	Bend	trans	84.2	-176	-172.7	0	0	0	0	0	113
40	H	66.3	Low	75.7	Confident	137 Å²	137	57.2 Å²	57.2	63%	0.634	35%	0.353	S	S	*	.	S	Bend	trans	-81.8	134.8	178.2	-66.1	-169.9	0	0	0	109.7	Q36 T43	Q36-H40 PolarHBondContact NE2-O 3.43Å; H40-T43 HydrophobicContact CB-CG2 3.89Å; H40-T43 VanDerWaalsContact O-CG2 3.31Å; H40-T43 WeakPolarHBondContact O-CG2 3.38Å; H40-T43 PolarHBondContact O-N 2.85Å; H40-T43 PolarHBondContact O-OG1 2.96Å
41	D	68.6	Low	77.1	Confident	135 Å²	135	56.4 Å²	56.4	72%	0.722	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	139.7	180	-64.9	-31.8	0	0	0	111.3	T43	D41-T43 VanDerWaalsContact C-N 3.32Å; D41-T43 PolarHBondContact O-N 3.39Å
42	G	73	Confident	78.4	Confident	56 Å²	56	52.6 Å²	52.6	58%	0.577	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	5	178.3	0	0	0	0	0	115
43	T	82.2	Confident	79.8	Confident	39 Å²	39	51 Å²	51	24%	0.239	31%	0.306	C	S	.	.	S	Bend	trans	-82	-19.6	174	60.5	0	0	0	0	113.4	Q36 H40 D41 K54 K55	Q36-T43 PolarHBondContact NE2-OG1 3.04Å; H40-T43 HydrophobicContact CB-CG2 3.89Å; H40-T43 VanDerWaalsContact O-CG2 3.31Å; H40-T43 WeakPolarHBondContact O-CG2 3.38Å; H40-T43 PolarHBondContact O-N 2.85Å; H40-T43 PolarHBondContact O-OG1 2.96Å; D41-T43 VanDerWaalsContact C-N 3.32Å; D41-T43 PolarHBondContact O-N 3.39Å; T43-K54 CarbonylContact O-C 3.24Å; T43-K54 WeakPolarHBondContact O-CA 3.29Å; T43-K55 WeakPolarHBondContact O-CB 3.28Å; T43-K55 PolarHBondContact O-N 3.25Å
44	I	87	Confident	81.1	Confident	29 Å²	29	47.9 Å²	47.9	15%	0.149	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.7	177.4	-54.9	174.6	0	0	0	108.8	W34 L52 W53 K54	W34-I44 HydrophobicContact CH2-CG2 4.28Å; W34-I44 HydrophobicContact CZ2-CB 4.23Å; W34-I44 HydrophobicContact CZ2-CG2 3.57Å; I44-L52 HydrophobicContact CG2-CB 4.05Å; I44-L52 HydrophobicContact CG2-CD1 4.13Å; I44-L52 HydrophobicContact CG2-CG 4.47Å; I44-W53 CarbonylContact C-O 3.4Å; I44-W53 WeakPolarHBondContact CA-O 3.43Å; I44-K54 HydrophobicContact CD1-CD 4.29Å; I44-K54 HydrophobicContact CD1-CG 4.5Å; I44-K54 HydrophobicContact CG1-CB 4.17Å; I44-K54 HydrophobicContact CG1-CD 4.27Å; I44-K54 HydrophobicContact CG1-CG 3.94Å
45	V	87.1	Confident	82.2	Confident	47 Å²	47	48.7 Å²	48.7	29%	0.285	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.2	-179.8	-61.8	0	0	0	0	111.5	A47 L52 W53	V45-A47 PolarHBondContact O-N 3.25Å; V45-L52 CarbonylContact O-C 3.46Å; V45-L52 WeakPolarHBondContact O-CA 3.26Å; V45-W53 HydrophobicContact CG2-CB 3.85Å; V45-W53 PolarHBondContact N-O 3.49Å; V45-W53 PolarHBondContact O-N 2.88Å
46	P	88.6	Confident	83.2	Confident	10 Å²	10	49.1 Å²	49.1	7%	0.065	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.8	127.1	164.8	-36.5	42.7	0	0	0	113.9	R30 L31 W34	R30-P46 HydrophobicContact CG-CB 4.1Å; R30-P46 HydrophobicContact CG-CG 3.97Å; R30-P46 VanDerWaalsContact CZ-CB 3.48Å; L31-P46 HydrophobicContact CD2-CG 4.09Å; W34-P46 HydrophobicContact CG-CG 4.45Å
47	A	89.5	Confident	83.3	Confident	30 Å²	30	51.8 Å²	51.8	25%	0.248	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-46.1	177.2	0	0	0	0	0	113.3	V45 T51 W53	V45-A47 PolarHBondContact O-N 3.25Å; A47-T51 PolarHBondContact N-O 3.39Å; A47-W53 HydrophobicContact CB-CB 4.33Å; A47-W53 HydrophobicContact CB-CD2 4Å; A47-W53 HydrophobicContact CB-CG 3.62Å
48	S	89.9	Confident	83.5	Confident	44 Å²	44	53.9 Å²	53.9	31%	0.308	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	169.8	172.8	78.3	0	0	0	0	109.7	R30 N50 T51	R30-S48 PolarHBondContact NH1-O 2.97Å; R30-S48 PolarHBondContact NH2-O 3.02Å; S48-N50 PolarHBondContact O-N 3.33Å; S48-N50 PolarHBondContact OG-N 2.91Å; S48-T51 WeakPolarHBondContact CB-OG1 3.18Å; S48-T51 PolarHBondContact N-O 3.4Å; S48-T51 PolarHBondContact N-OG1 3.37Å; S48-T51 PolarHBondContact O-N 3.37Å; S48-T51 PolarHBondContact OG-N 2.98Å; S48-T51 PolarHBondContact OG-OG1 2.84Å
49	D	86.3	Confident	83.7	Confident	82 Å²	82	59.7 Å²	59.7	44%	0.439	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-23.7	-178.7	-74.5	-31.6	0	0	0	115.7	W26 R101	W26-D49 VanDerWaalsContact CE2-OD1 3.29Å; W26-D49 WeakPolarHBondContact CZ2-OD1 3.1Å; W26-D49 PolarHBondContact NE1-OD1 2.72Å; D49-R101 VanDerWaalsContact O-CD 3.27Å; D49-R101 WeakPolarHBondContact O-CD 3.38Å; D49-R101 WeakPolarHBondContact O-CG 3.48Å; D49-R101 PolarHBondContact O-NE 3.25Å
50	N	92.5	Very high	83.9	Confident	93 Å²	93	63.6 Å²	63.6	50%	0.497	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	2.2	-177.9	-55.7	-61.6	0	0	0	114	S48 D98	S48-N50 PolarHBondContact O-N 3.33Å; S48-N50 PolarHBondContact OG-N 2.91Å; N50-D98 PolarHBondContact O-N 3.15Å
51	T	95.4	Very high	84.4	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.025	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	156.1	-174.9	66	0	0	0	0	113.4	R30 A47 S48 Y83 E95 I96	R30-T51 PolarHBondContact NH2-O 2.67Å; A47-T51 PolarHBondContact N-O 3.39Å; S48-T51 WeakPolarHBondContact CB-OG1 3.18Å; S48-T51 PolarHBondContact N-O 3.4Å; S48-T51 PolarHBondContact N-OG1 3.37Å; S48-T51 PolarHBondContact O-N 3.37Å; S48-T51 PolarHBondContact OG-N 2.98Å; S48-T51 PolarHBondContact OG-OG1 2.84Å; T51-Y83 HydrophobicContact CG2-CD2 4Å; T51-Y83 HydrophobicContact CG2-CE1 4.4Å; T51-Y83 HydrophobicContact CG2-CE2 3.7Å; T51-Y83 HydrophobicContact CG2-CG 4.49Å; T51-E95 WeakPolarHBondContact CB-OE1 3.46Å; T51-E95 HydrophobicContact CG2-CG 4.23Å; T51-E95 PolarHBondContact OG1-OE1 2.94Å; T51-I96 CarbonylContact C-O 3.55Å; T51-I96 VanDerWaalsContact CA-O 3.22Å; T51-I96 WeakPolarHBondContact CA-O 3.24Å; T51-I96 WeakPolarHBondContact CB-O 3.38Å
52	L	94	Very high	85.4	Confident	11 Å²	11	52.2 Å²	52.2	6%	0.058	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.1	176.2	-56.4	169.1	0	0	0	109	W34 I44 V45 E95 I96 D98	W34-L52 HydrophobicContact CE3-CD2 4.06Å; W34-L52 HydrophobicContact CH2-CD1 3.25Å; W34-L52 HydrophobicContact CH2-CD2 3.69Å; W34-L52 HydrophobicContact CH2-CG 4.1Å; W34-L52 HydrophobicContact CZ2-CD1 4.05Å; W34-L52 HydrophobicContact CZ2-CD2 4.19Å; W34-L52 HydrophobicContact CZ3-CD1 3.76Å; W34-L52 HydrophobicContact CZ3-CD2 3.58Å; W34-L52 HydrophobicContact CZ3-CG 4.3Å; I44-L52 HydrophobicContact CG2-CB 4.05Å; I44-L52 HydrophobicContact CG2-CD1 4.13Å; I44-L52 HydrophobicContact CG2-CG 4.47Å; V45-L52 CarbonylContact O-C 3.46Å; V45-L52 WeakPolarHBondContact O-CA 3.26Å; L52-E95 WeakPolarHBondContact O-CA 3.2Å; L52-I96 HydrophobicContact CB-CG1 4.31Å; L52-I96 PolarHBondContact N-O 2.83Å; L52-I96 PolarHBondContact O-N 2.87Å; L52-D98 HydrophobicContact CD1-CB 4.15Å; L52-D98 HydrophobicContact CD2-CB 4.15Å; L52-D98 HydrophobicContact CG-CB 3.78Å
53	W	93.7	Very high	86.4	Confident	54 Å²	54	49.6 Å²	49.6	21%	0.205	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125	162.5	-73.9	-6.7	0	0	0	109.5	I44 V45 A47 V86 Y88 F93 I94	I44-W53 CarbonylContact C-O 3.4Å; I44-W53 WeakPolarHBondContact CA-O 3.43Å; V45-W53 HydrophobicContact CG2-CB 3.85Å; V45-W53 PolarHBondContact N-O 3.49Å; V45-W53 PolarHBondContact O-N 2.88Å; A47-W53 HydrophobicContact CB-CB 4.33Å; A47-W53 HydrophobicContact CB-CD2 4Å; A47-W53 HydrophobicContact CB-CG 3.62Å; W53-V86 HydrophobicContact CH2-CG1 4.06Å; W53-V86 HydrophobicContact CZ2-CG1 3.73Å; W53-V86 HydrophobicContact CZ2-CG2 4.5Å; W53-Y88 HydrophobicContact CH2-CD2 4.47Å; W53-Y88 HydrophobicContact CZ3-CD1 4.24Å; W53-Y88 HydrophobicContact CZ3-CD2 4.26Å; W53-Y88 AromaticContact CZ3-CG 3.93Å; W53-Y88 HydrophobicContact CZ3-CG 3.93Å; W53-F93 HydrophobicContact CB-CB 4.1Å; W53-F93 HydrophobicContact CB-CD1 3.89Å; W53-F93 HydrophobicContact CB-CG 4.22Å; W53-F93 HydrophobicContact CG-CB 4.31Å; W53-I94 CarbonylContact C-O 3.52Å; W53-I94 VanDerWaalsContact CA-O 3.31Å; W53-I94 WeakPolarHBondContact CA-O 3.43Å
54	K	92.6	Very high	87	Confident	19 Å²	19	48.2 Å²	48.2	8%	0.083	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.4	171.3	177.5	172.6	-174.1	-176.3	0	109.3	T43 I44 E63 F93 I94 I96 D260	T43-K54 CarbonylContact O-C 3.24Å; T43-K54 WeakPolarHBondContact O-CA 3.29Å; I44-K54 HydrophobicContact CD1-CD 4.29Å; I44-K54 HydrophobicContact CD1-CG 4.5Å; I44-K54 HydrophobicContact CG1-CB 4.17Å; I44-K54 HydrophobicContact CG1-CD 4.27Å; I44-K54 HydrophobicContact CG1-CG 3.94Å; K54-E63 WeakPolarHBondContact CE-OE1 3.47Å; K54-E63 VanDerWaalsContact CE-OE2 3.32Å; K54-E63 WeakPolarHBondContact CE-OE2 3.46Å; K54-E63 IonicContact NZ-OE1 3.93Å; K54-E63 PolarHBondContact NZ-OE1 3.44Å; K54-E63 IonicContact NZ-OE2 2.75Å; K54-E63 PolarHBondContact NZ-OE2 2.76Å; K54-F93 CarbonylContact O-C 3.45Å; K54-F93 VanDerWaalsContact O-CA 3.27Å; K54-F93 WeakPolarHBondContact O-CA 3.22Å; K54-I94 HydrophobicContact CB-CD1 4.28Å; K54-I94 HydrophobicContact CB-CG1 3.76Å; K54-I94 HydrophobicContact CD-CD1 4.37Å; K54-I94 HydrophobicContact CG-CG1 4.41Å; K54-I94 PolarHBondContact N-O 2.86Å; K54-I94 PolarHBondContact O-N 2.76Å; K54-I96 HydrophobicContact CB-CD1 4.46Å; K54-D260 IonicContact NZ-OD1 2.89Å; K54-D260 PolarHBondContact NZ-OD1 2.76Å
55	K	91	Very high	87.3	Confident	72 Å²	72	48.8 Å²	48.8	31%	0.313	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	132.4	179.1	-173.2	167.8	177.4	163.6	0	109.7	T43 A57 D91 F93	T43-K55 WeakPolarHBondContact O-CB 3.28Å; T43-K55 PolarHBondContact O-N 3.25Å; K55-A57 PolarHBondContact O-N 2.92Å; K55-D91 WeakPolarHBondContact CE-OD1 3.33Å; K55-D91 IonicContact NZ-OD1 2.76Å; K55-D91 PolarHBondContact NZ-OD1 3.07Å; K55-D91 IonicContact NZ-OD2 2.74Å; K55-D91 PolarHBondContact NZ-OD2 2.86Å; K55-F93 HydrophobicContact CB-CD1 3.87Å; K55-F93 HydrophobicContact CB-CE1 3.71Å; K55-F93 HydrophobicContact CD-CE1 4.43Å; K55-F93 HydrophobicContact CG-CD1 4.48Å; K55-F93 HydrophobicContact CG-CE1 4.13Å; K55-F93 HydrophobicContact CG-CZ 4.48Å
56	R	87.2	Confident	87.8	Confident	54 Å²	54	46.5 Å²	46.5	20%	0.204	27%	0.265	C	S	.	.			trans	-64.3	128.9	172.3	-76.6	-178.8	63	175.6	-8.6	108.9	S58 N59 E85 M92 I94	R56-S58 VanDerWaalsContact C-N 3.27Å; R56-S58 PolarHBondContact O-N 2.68Å; R56-N59 PolarHBondContact NH2-O 2.75Å; R56-E85 IonicContact CZ-OE1 3.86Å; R56-E85 IonicContact NH1-OE1 2.97Å; R56-E85 PolarHBondContact NH1-OE1 2.93Å; R56-M92 HydrophobicContact CB-CB 4.33Å; R56-M92 HydrophobicContact CG-CB 4.32Å; R56-M92 PolarHBondContact N-O 3.05Å; R56-I94 HydrophobicContact CG-CG2 4.45Å
57	A	78.1	Confident	88.2	Confident	83 Å²	83	46.2 Å²	46.2	69%	0.686	26%	0.262	S	S	*	.	S	Bend	trans	-63.7	-32.7	-177.4	0	0	0	0	0	113.3	K55	K55-A57 PolarHBondContact O-N 2.92Å
58	S	77.3	Confident	88.5	Confident	55 Å²	55	48.8 Å²	48.8	39%	0.385	27%	0.271	S	S	.	.	S	Bend	trans	-161.4	169.8	176.6	62.1	0	0	0	0	109.9	R56 D60 S61	R56-S58 VanDerWaalsContact C-N 3.27Å; R56-S58 PolarHBondContact O-N 2.68Å; S58-D60 PolarHBondContact O-N 3.1Å; S58-D60 PolarHBondContact OG-N 3.48Å; S58-S61 WeakPolarHBondContact O-CB 3.4Å; S58-S61 PolarHBondContact O-N 3.46Å; S58-S61 PolarHBondContact OG-N 2.69Å
59	N	70.7	Confident	88.8	Confident	144 Å²	144	50.3 Å²	50.3	77%	0.77	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.5	171.1	-68.9	-9.4	0	0	0	111.7	R56 S61	R56-N59 PolarHBondContact NH2-O 2.75Å; N59-S61 VanDerWaalsContact C-N 3.31Å; N59-S61 PolarHBondContact O-N 3.42Å
60	D	70.4	Confident	89.4	Confident	137 Å²	137	46.4 Å²	46.4	73%	0.733	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	1	177.5	-51.3	-40.2	0	0	0	113.7	S58 N62	S58-D60 PolarHBondContact O-N 3.1Å; S58-D60 PolarHBondContact OG-N 3.48Å; D60-N62 PolarHBondContact O-N 3.13Å
61	S	77.6	Confident	89.6	Confident	8 Å²	8	44.1 Å²	44.1	6%	0.056	24%	0.238	C	C	.	.			trans	-60.8	124.1	176.8	178.9	0	0	0	0	110.1	S58 N59 E63	S58-S61 WeakPolarHBondContact O-CB 3.4Å; S58-S61 PolarHBondContact O-N 3.46Å; S58-S61 PolarHBondContact OG-N 2.69Å; N59-S61 VanDerWaalsContact C-N 3.31Å; N59-S61 PolarHBondContact O-N 3.42Å; S61-E63 VanDerWaalsContact C-N 3.26Å; S61-E63 PolarHBondContact O-N 2.95Å; S61-E63 PolarHBondContact OG-N 3.35Å
62	N	89.4	Confident	89.7	Confident	25 Å²	25	51 Å²	51	13%	0.134	27%	0.274	C	S	.	.			trans	-87.9	9	178.5	-163.8	54.1	0	0	0	112.8	D60 S64 S65 A66 V264 F265	D60-N62 PolarHBondContact O-N 3.13Å; N62-S64 PolarHBondContact O-N 2.85Å; N62-S65 PolarHBondContact O-N 3.27Å; N62-S65 WeakPolarHBondContact OD1-CB 3.2Å; N62-S65 PolarHBondContact OD1-OG 3.45Å; N62-A66 WeakPolarHBondContact O-CB 3.32Å; N62-A66 PolarHBondContact O-N 3.37Å; N62-V264 PolarHBondContact ND2-O 2.83Å; N62-F265 HydrophobicContact CB-CD1 4.01Å; N62-F265 HydrophobicContact CB-CD2 4.47Å; N62-F265 HydrophobicContact CB-CE1 3.58Å; N62-F265 HydrophobicContact CB-CE2 4.07Å; N62-F265 HydrophobicContact CB-CG 4.44Å; N62-F265 HydrophobicContact CB-CZ 3.61Å
63	E	94.2	Very high	89.9	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-43.9	-168.9	-162.5	156.9	-157.9	0	0	113.3	K54 S61 A66 Y67 I94 F261 A262	K54-E63 WeakPolarHBondContact CE-OE1 3.47Å; K54-E63 VanDerWaalsContact CE-OE2 3.32Å; K54-E63 WeakPolarHBondContact CE-OE2 3.46Å; K54-E63 IonicContact NZ-OE1 3.93Å; K54-E63 PolarHBondContact NZ-OE1 3.44Å; K54-E63 IonicContact NZ-OE2 2.75Å; K54-E63 PolarHBondContact NZ-OE2 2.76Å; S61-E63 VanDerWaalsContact C-N 3.26Å; S61-E63 PolarHBondContact O-N 2.95Å; S61-E63 PolarHBondContact OG-N 3.35Å; E63-A66 PolarHBondContact O-N 3.35Å; E63-Y67 HydrophobicContact CG-CD2 3.93Å; E63-Y67 HydrophobicContact CG-CE2 3.88Å; E63-Y67 VanDerWaalsContact O-CD2 3.32Å; E63-Y67 WeakPolarHBondContact O-CD2 3.29Å; E63-Y67 PolarHBondContact O-N 3.04Å; E63-I94 HydrophobicContact CG-CD1 3.82Å; E63-F261 HydrophobicContact CG-CB 4.19Å; E63-F261 PolarHBondContact OE1-N 3.13Å; E63-F261 VanDerWaalsContact OE1-N 3.08Å; E63-A262 HydrophobicContact CB-CB 4.31Å
64	S	93.8	Very high	90.1	Very high	10 Å²	10	51.2 Å²	51.2	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-44.9	178.3	53.9	0	0	0	0	111.9	N62 A66 Y67 M68 E85	N62-S64 PolarHBondContact O-N 2.85Å; S64-A66 VanDerWaalsContact C-N 3.34Å; S64-A66 PolarHBondContact O-N 3.2Å; S64-Y67 PolarHBondContact O-N 3.46Å; S64-M68 VanDerWaalsContact O-CG 3.32Å; S64-M68 WeakPolarHBondContact O-CG 3.3Å; S64-M68 PolarHBondContact O-N 2.71Å; S64-E85 WeakPolarHBondContact CB-OE1 3.23Å; S64-E85 PolarHBondContact OG-OE1 3.33Å
65	S	94.7	Very high	90.3	Very high	40 Å²	40	50.3 Å²	50.3	28%	0.28	28%	0.279	S	S	.	.	H	α-helix	trans	-58.5	-44.3	174.5	176	0	0	0	0	111.9	N62 M68 K69	N62-S65 PolarHBondContact O-N 3.27Å; N62-S65 WeakPolarHBondContact OD1-CB 3.2Å; N62-S65 PolarHBondContact OD1-OG 3.45Å; S65-M68 PolarHBondContact O-N 2.95Å; S65-K69 WeakPolarHBondContact O-CG 3.39Å; S65-K69 PolarHBondContact O-N 2.89Å
66	A	96.5	Very high	90.7	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-47.6	175.6	0	0	0	0	0	111.4	N62 E63 S64 M68 K69 L70 F261 V264	N62-A66 WeakPolarHBondContact O-CB 3.32Å; N62-A66 PolarHBondContact O-N 3.37Å; E63-A66 PolarHBondContact O-N 3.35Å; S64-A66 VanDerWaalsContact C-N 3.34Å; S64-A66 PolarHBondContact O-N 3.2Å; A66-M68 PolarHBondContact O-N 2.97Å; A66-K69 PolarHBondContact O-N 3.45Å; A66-L70 WeakPolarHBondContact O-CB 3.47Å; A66-L70 WeakPolarHBondContact O-CD1 3.45Å; A66-L70 VanDerWaalsContact O-CG 3.25Å; A66-L70 WeakPolarHBondContact O-CG 3.09Å; A66-L70 PolarHBondContact O-N 3.46Å; A66-F261 HydrophobicContact CB-CB 3.66Å; A66-F261 HydrophobicContact CB-CG 4.5Å; A66-V264 HydrophobicContact CB-CB 4.18Å; A66-V264 HydrophobicContact CB-CG1 4.39Å
67	Y	97.2	Very high	91.2	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-47.2	174.8	-92.7	-68.2	0	0	0	112.5	E63 S64 K69 L70 M71 A80 F82 I94 I96 F261	E63-Y67 HydrophobicContact CG-CD2 3.93Å; E63-Y67 HydrophobicContact CG-CE2 3.88Å; E63-Y67 VanDerWaalsContact O-CD2 3.32Å; E63-Y67 WeakPolarHBondContact O-CD2 3.29Å; E63-Y67 PolarHBondContact O-N 3.04Å; S64-Y67 PolarHBondContact O-N 3.46Å; Y67-K69 VanDerWaalsContact C-N 3.3Å; Y67-K69 PolarHBondContact O-N 3.12Å; Y67-L70 PolarHBondContact O-N 3.11Å; Y67-L70 VanDerWaalsContact O-N 3.15Å; Y67-M71 WeakPolarHBondContact O-CG 3.5Å; Y67-M71 PolarHBondContact O-N 2.78Å; Y67-A80 HydrophobicContact CE1-CB 4.33Å; Y67-A80 WeakPolarHBondContact CE1-O 3.27Å; Y67-F82 HydrophobicContact CD1-CB 3.92Å; Y67-F82 HydrophobicContact CD2-CD2 4.46Å; Y67-F82 HydrophobicContact CG-CB 4.05Å; Y67-F82 HydrophobicContact CG-CD2 4.06Å; Y67-F82 HydrophobicContact CG-CG 4.35Å; Y67-I94 HydrophobicContact CD2-CD1 3.69Å; Y67-I94 HydrophobicContact CE2-CD1 3.57Å; Y67-I96 HydrophobicContact CD2-CG2 4.41Å; Y67-I96 HydrophobicContact CE1-CG2 4.2Å; Y67-I96 HydrophobicContact CE2-CG2 4.06Å; Y67-F261 HydrophobicContact CD1-CD2 4.13Å; Y67-F261 HydrophobicContact CD1-CE2 4.11Å; Y67-F261 AromaticContact CD2-CD2 3.94Å; Y67-F261 HydrophobicContact CD2-CD2 3.94Å; Y67-F261 AromaticContact CE1-CD2 3.85Å; Y67-F261 HydrophobicContact CE1-CD2 3.85Å; Y67-F261 AromaticContact CE1-CE2 3.6Å; Y67-F261 HydrophobicContact CE1-CE2 3.6Å; Y67-F261 AromaticContact CE2-CD2 3.63Å; Y67-F261 HydrophobicContact CE2-CD2 3.63Å; Y67-F261 HydrophobicContact CE2-CE2 4.17Å; Y67-F261 HydrophobicContact CG-CD2 4.18Å; Y67-F261 AromaticContact CZ-CD2 3.58Å; Y67-F261 AromaticContact CZ-CE2 3.62Å
68	M	96.1	Very high	92.2	Very high	85 Å²	85	46.6 Å²	46.6	42%	0.419	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-40.6	178.8	-71.6	179.9	-165.4	0	0	112.2	S64 S65 A66 N72 F82 E85	S64-M68 VanDerWaalsContact O-CG 3.32Å; S64-M68 WeakPolarHBondContact O-CG 3.3Å; S64-M68 PolarHBondContact O-N 2.71Å; S65-M68 PolarHBondContact O-N 2.95Å; A66-M68 PolarHBondContact O-N 2.97Å; M68-N72 PolarHBondContact O-ND2 2.83Å; M68-F82 HydrophobicContact CE-CE1 3.75Å; M68-F82 HydrophobicContact CE-CZ 3.7Å; M68-F82 HydrophobicContact CG-CD1 4.1Å; M68-F82 HydrophobicContact CG-CE1 3.65Å; M68-F82 HydrophobicContact CG-CZ 4.23Å; M68-E85 HydrophobicContact CE-CG 4.45Å
69	K	97	Very high	93.1	Very high	76 Å²	76	44.3 Å²	44.3	33%	0.33	25%	0.246	S	C	.	.	H	α-helix	trans	-65.8	-45.5	173.9	-72.5	173.3	175.4	173	0	111.5	S65 A66 Y67 M71 N72 D73 M234 H238	S65-K69 WeakPolarHBondContact O-CG 3.39Å; S65-K69 PolarHBondContact O-N 2.89Å; A66-K69 PolarHBondContact O-N 3.45Å; Y67-K69 VanDerWaalsContact C-N 3.3Å; Y67-K69 PolarHBondContact O-N 3.12Å; K69-M71 VanDerWaalsContact C-N 3.29Å; K69-M71 PolarHBondContact O-N 2.87Å; K69-N72 CarbonylContact O-C 3.37Å; K69-N72 PolarHBondContact O-N 2.95Å; K69-D73 PolarHBondContact O-N 3.19Å; K69-M234 HydrophobicContact CB-CG 4.04Å; K69-H238 WeakPolarHBondContact CD-NE2 3.29Å; K69-H238 PolarHBondContact NZ-NE2 3.2Å
70	L	97.7	Very high	94.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-34.2	178.9	-74.7	162.3	0	0	0	112.7	A66 Y67 N72 D73 L75 C76 V79 M234 F261	A66-L70 WeakPolarHBondContact O-CB 3.47Å; A66-L70 WeakPolarHBondContact O-CD1 3.45Å; A66-L70 VanDerWaalsContact O-CG 3.25Å; A66-L70 WeakPolarHBondContact O-CG 3.09Å; A66-L70 PolarHBondContact O-N 3.46Å; Y67-L70 PolarHBondContact O-N 3.11Å; Y67-L70 VanDerWaalsContact O-N 3.15Å; L70-N72 PolarHBondContact O-N 3.09Å; L70-D73 PolarHBondContact O-N 2.83Å; L70-D73 VanDerWaalsContact O-N 3.09Å; L70-L75 HydrophobicContact CD2-CB 3.88Å; L70-L75 HydrophobicContact CD2-CD1 4.14Å; L70-C76 WeakPolarHBondContact O-CA 3.26Å; L70-C76 VanDerWaalsContact O-CB 3.29Å; L70-C76 WeakPolarHBondContact O-CB 3.12Å; L70-C76 PolarHBondContact O-N 2.96Å; L70-V79 HydrophobicContact CB-CG2 4.19Å; L70-V79 HydrophobicContact CD1-CG1 4.2Å; L70-V79 HydrophobicContact CD2-CG1 4.39Å; L70-M234 HydrophobicContact CD1-CE 4.49Å; L70-M234 HydrophobicContact CD2-CE 4.32Å; L70-M234 HydrophobicContact CD2-SD 3.78Å; L70-M234 HydrophobicContact CG-CE 4.12Å; L70-M234 HydrophobicContact CG-SD 4.16Å; L70-F261 HydrophobicContact CD1-CD1 4.26Å; L70-F261 HydrophobicContact CD1-CD2 3.69Å; L70-F261 HydrophobicContact CD1-CE1 4.13Å; L70-F261 HydrophobicContact CD1-CE2 3.56Å; L70-F261 HydrophobicContact CD1-CG 4.04Å; L70-F261 HydrophobicContact CD1-CZ 3.78Å
71	M	97.8	Very high	95.7	Very high	45 Å²	45	36.1 Å²	36.1	22%	0.222	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-23.7	174.6	-70	-58.1	95	0	0	113.1	Y67 K69 V79 K81 F82	Y67-M71 WeakPolarHBondContact O-CG 3.5Å; Y67-M71 PolarHBondContact O-N 2.78Å; K69-M71 VanDerWaalsContact C-N 3.29Å; K69-M71 PolarHBondContact O-N 2.87Å; M71-V79 HydrophobicContact CE-CG2 3.33Å; M71-K81 HydrophobicContact SD-CG 4.37Å; M71-F82 HydrophobicContact CG-CB 3.92Å; M71-F82 HydrophobicContact SD-CB 4.2Å; M71-F82 PolarHBondContact SD-N 3.3Å
72	N	97.1	Very high	96.7	Very high	149 Å²	149	36.9 Å²	36.9	80%	0.797	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	8.2	177.4	-64.4	-74.8	0	0	0	112.9	M68 K69 L70	M68-N72 PolarHBondContact O-ND2 2.83Å; K69-N72 CarbonylContact O-C 3.37Å; K69-N72 PolarHBondContact O-N 2.95Å; L70-N72 PolarHBondContact O-N 3.09Å
73	D	97.9	Very high	97.1	Very high	26 Å²	26	40.6 Å²	40.6	14%	0.139	21%	0.212	C	C	.	.	S	Bend	trans	-107.3	161.2	-179.6	-170.3	-89.2	0	0	0	111.9	K69 L70 L75 C76 S232 M234	K69-D73 PolarHBondContact O-N 3.19Å; L70-D73 PolarHBondContact O-N 2.83Å; L70-D73 VanDerWaalsContact O-N 3.09Å; D73-L75 PolarHBondContact O-N 2.83Å; D73-L75 VanDerWaalsContact O-N 3.08Å; D73-L75 WeakPolarHBondContact OD1-CB 3.15Å; D73-L75 WeakPolarHBondContact OD1-CG 3.45Å; D73-L75 PolarHBondContact OD1-N 2.87Å; D73-C76 VanDerWaalsContact O-CB 3.23Å; D73-C76 WeakPolarHBondContact O-CB 3.41Å; D73-C76 PolarHBondContact O-N 2.86Å; D73-S232 VanDerWaalsContact OD1-CB 3.3Å; D73-S232 WeakPolarHBondContact OD1-CB 3.36Å; D73-S232 PolarHBondContact OD1-OG 2.67Å; D73-S232 PolarHBondContact OD2-OG 2.79Å; D73-M234 HydrophobicContact CB-CB 4.13Å; D73-M234 WeakPolarHBondContact OD2-CB 3.32Å; D73-M234 PolarHBondContact OD2-N 3.13Å
74	S	97.2	Very high	97.1	Very high	43 Å²	43	47.3 Å²	47.3	30%	0.301	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-19.5	170.3	71.5	0	0	0	0	114.9	P77	S74-P77 WeakPolarHBondContact O-CD 3.28Å
75	L	98.2	Very high	97.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-7	175.3	-68.1	177.5	0	0	0	114.2	L70 D73 P77 F78 K228 M229 F235 M258	L70-L75 HydrophobicContact CD2-CB 3.88Å; L70-L75 HydrophobicContact CD2-CD1 4.14Å; D73-L75 PolarHBondContact O-N 2.83Å; D73-L75 VanDerWaalsContact O-N 3.08Å; D73-L75 WeakPolarHBondContact OD1-CB 3.15Å; D73-L75 WeakPolarHBondContact OD1-CG 3.45Å; D73-L75 PolarHBondContact OD1-N 2.87Å; L75-P77 VanDerWaalsContact C-N 3.29Å; L75-P77 VanDerWaalsContact O-N 3.12Å; L75-F78 HydrophobicContact CD2-CD2 4.3Å; L75-F78 WeakPolarHBondContact O-CA 3.33Å; L75-F78 WeakPolarHBondContact O-CB 3.36Å; L75-F78 PolarHBondContact O-N 3.07Å; L75-K228 HydrophobicContact CD2-CB 3.91Å; L75-M229 HydrophobicContact CD1-CG 4.29Å; L75-M229 HydrophobicContact CD2-CG 3.74Å; L75-F235 HydrophobicContact CD1-CB 4.01Å; L75-F235 HydrophobicContact CD1-CD2 3.86Å; L75-F235 HydrophobicContact CD1-CG 4.26Å; L75-M258 HydrophobicContact CD1-SD 4.34Å; L75-M258 HydrophobicContact CD2-SD 4.43Å
76	C	98.1	Very high	97.1	Very high	45 Å²	45	49.4 Å²	49.4	30%	0.304	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-45.5	-43.8	178.1	-178.9	0	0	0	0	114	L70 D73 F78 V79	L70-C76 WeakPolarHBondContact O-CA 3.26Å; L70-C76 VanDerWaalsContact O-CB 3.29Å; L70-C76 WeakPolarHBondContact O-CB 3.12Å; L70-C76 PolarHBondContact O-N 2.96Å; D73-C76 VanDerWaalsContact O-CB 3.23Å; D73-C76 WeakPolarHBondContact O-CB 3.41Å; D73-C76 PolarHBondContact O-N 2.86Å; C76-F78 PolarHBondContact O-N 3.38Å; C76-V79 PolarHBondContact O-N 3.34Å
77	P	98	Very high	97	Very high	83 Å²	83	56.3 Å²	56.3	54%	0.539	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-68.6	-3.1	178.3	-20.5	34.5	0	0	0	115.6	S74 L75 R221	S74-P77 WeakPolarHBondContact O-CD 3.28Å; L75-P77 VanDerWaalsContact C-N 3.29Å; L75-P77 VanDerWaalsContact O-N 3.12Å; P77-R221 PolarHBondContact O-NH2 2.94Å
78	F	98.5	Very high	96.6	Very high	3 Å²	3	61.4 Å²	61.4	1%	0.013	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-111.1	2.3	-175.8	-59.6	-92.2	0	0	0	113.3	L75 C76 L224 M225 K228 W257 M258	L75-F78 HydrophobicContact CD2-CD2 4.3Å; L75-F78 WeakPolarHBondContact O-CA 3.33Å; L75-F78 WeakPolarHBondContact O-CB 3.36Å; L75-F78 PolarHBondContact O-N 3.07Å; C76-F78 PolarHBondContact O-N 3.38Å; F78-L224 HydrophobicContact CE1-CD2 4.43Å; F78-L224 HydrophobicContact CE1-CG 4.38Å; F78-L224 HydrophobicContact CZ-CD2 4.01Å; F78-L224 HydrophobicContact CZ-CG 3.9Å; F78-M225 HydrophobicContact CB-CE 4.13Å; F78-M225 HydrophobicContact CB-CG 4.5Å; F78-M225 HydrophobicContact CD1-CB 3.63Å; F78-M225 HydrophobicContact CD1-CE 3.65Å; F78-M225 HydrophobicContact CD1-CG 3.65Å; F78-M225 HydrophobicContact CD1-SD 4.48Å; F78-M225 VanDerWaalsContact CE1-CA 3.43Å; F78-M225 HydrophobicContact CE1-CB 3.57Å; F78-M225 HydrophobicContact CE1-CG 4.08Å; F78-M225 HydrophobicContact CG-CE 4.31Å; F78-M225 HydrophobicContact CG-CG 4.13Å; F78-M225 HydrophobicContact CZ-CB 4.45Å; F78-K228 HydrophobicContact CE2-CB 3.94Å; F78-K228 HydrophobicContact CE2-CG 3.71Å; F78-K228 HydrophobicContact CZ-CB 4.32Å; F78-K228 HydrophobicContact CZ-CG 3.93Å; F78-W257 CarbonylContact O-C 3.57Å; F78-W257 VanDerWaalsContact O-CA 3.23Å; F78-W257 WeakPolarHBondContact O-CA 3.31Å; F78-M258 HydrophobicContact CB-SD 4.47Å; F78-M258 PolarHBondContact O-N 2.92Å
79	V	98.1	Very high	96.3	Very high	6 Å²	6	65.5 Å²	65.5	4%	0.036	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-127.3	161.5	-179	-52.2	0	0	0	0	109.7	L70 M71 C76 M258 F261	L70-V79 HydrophobicContact CB-CG2 4.19Å; L70-V79 HydrophobicContact CD1-CG1 4.2Å; L70-V79 HydrophobicContact CD2-CG1 4.39Å; M71-V79 HydrophobicContact CE-CG2 3.33Å; C76-V79 PolarHBondContact O-N 3.34Å; V79-M258 HydrophobicContact CG1-CB 4.12Å; V79-M258 HydrophobicContact CG1-SD 4.43Å; V79-F261 HydrophobicContact CB-CE2 4.09Å; V79-F261 HydrophobicContact CB-CZ 4.1Å; V79-F261 HydrophobicContact CG1-CE2 4.01Å; V79-F261 HydrophobicContact CG1-CZ 3.58Å
80	A	97.5	Very high	95.8	Very high	2 Å²	2	65 Å²	65	2%	0.017	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-61.7	138.3	170.3	0	0	0	0	0	110.1	Y67 F82 I96 E97 L99	Y67-A80 HydrophobicContact CE1-CB 4.33Å; Y67-A80 WeakPolarHBondContact CE1-O 3.27Å; A80-F82 PolarHBondContact O-N 3.33Å; A80-I96 HydrophobicContact CB-CB 4.36Å; A80-E97 HydrophobicContact CB-CB 4.14Å; A80-L99 HydrophobicContact CB-CD1 4.21Å; A80-L99 HydrophobicContact CB-CD2 4.01Å; A80-L99 HydrophobicContact CB-CG 4.02Å
81	K	98.1	Very high	95.4	Very high	107 Å²	107	67.9 Å²	67.9	47%	0.465	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-59.3	128.7	172.7	-179.2	175.5	176.9	178.3	0	110	M71 Y83 I96 E97	M71-K81 HydrophobicContact SD-CG 4.37Å; K81-Y83 HydrophobicContact CB-CE2 4.07Å; K81-Y83 HydrophobicContact CD-CE1 4.22Å; K81-Y83 HydrophobicContact CD-CE2 4.13Å; K81-Y83 HydrophobicContact CG-CD2 4.38Å; K81-Y83 HydrophobicContact CG-CE2 3.97Å; K81-Y83 WeakPolarHBondContact O-CD2 3.38Å; K81-I96 CarbonylContact O-C 3.51Å; K81-I96 VanDerWaalsContact O-CA 3.29Å; K81-I96 WeakPolarHBondContact O-CA 3.47Å; K81-E97 HydrophobicContact CB-CB 4.01Å; K81-E97 PolarHBondContact N-OE2 2.88Å; K81-E97 PolarHBondContact O-N 3.03Å
82	F	97.6	Very high	95.1	Very high	25 Å²	25	68.5 Å²	68.5	11%	0.11	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.9	171.2	173.8	-97	0	0	0	110	Y67 M68 M71 A80 E85 I94 I96	Y67-F82 HydrophobicContact CD1-CB 3.92Å; Y67-F82 HydrophobicContact CD2-CD2 4.46Å; Y67-F82 HydrophobicContact CG-CB 4.05Å; Y67-F82 HydrophobicContact CG-CD2 4.06Å; Y67-F82 HydrophobicContact CG-CG 4.35Å; M68-F82 HydrophobicContact CE-CE1 3.75Å; M68-F82 HydrophobicContact CE-CZ 3.7Å; M68-F82 HydrophobicContact CG-CD1 4.1Å; M68-F82 HydrophobicContact CG-CE1 3.65Å; M68-F82 HydrophobicContact CG-CZ 4.23Å; M71-F82 HydrophobicContact CG-CB 3.92Å; M71-F82 HydrophobicContact SD-CB 4.2Å; M71-F82 PolarHBondContact SD-N 3.3Å; A80-F82 PolarHBondContact O-N 3.33Å; F82-E85 HydrophobicContact CZ-CG 4.2Å; F82-I94 HydrophobicContact CD2-CB 4.44Å; F82-I94 HydrophobicContact CE2-CB 3.96Å; F82-I94 HydrophobicContact CE2-CG2 3.99Å; F82-I96 HydrophobicContact CD2-CG2 4.21Å
83	Y	97.2	Very high	94.9	Very high	102 Å²	102	62.1 Å²	62.1	40%	0.4	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-56.4	-178.6	-69.9	-99.1	0	0	0	111.6	T51 K81 E95 E97	T51-Y83 HydrophobicContact CG2-CD2 4Å; T51-Y83 HydrophobicContact CG2-CE1 4.4Å; T51-Y83 HydrophobicContact CG2-CE2 3.7Å; T51-Y83 HydrophobicContact CG2-CG 4.49Å; K81-Y83 HydrophobicContact CB-CE2 4.07Å; K81-Y83 HydrophobicContact CD-CE1 4.22Å; K81-Y83 HydrophobicContact CD-CE2 4.13Å; K81-Y83 HydrophobicContact CG-CD2 4.38Å; K81-Y83 HydrophobicContact CG-CE2 3.97Å; K81-Y83 WeakPolarHBondContact O-CD2 3.38Å; Y83-E95 WeakPolarHBondContact CB-O 3.39Å; Y83-E95 PolarHBondContact N-O 3.22Å; Y83-E97 HydrophobicContact CE2-CB 4.15Å
84	R	96.2	Very high	94.7	Very high	143 Å²	143	61 Å²	61	54%	0.54	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	167.7	-175.8	56.1	-178.9	172.6	-174.3	-1	111.8	V86 E95	R84-V86 HydrophobicContact CG-CG2 3.95Å; R84-E95 HydrophobicContact CG-CB 4.06Å; R84-E95 IonicContact CZ-OE2 2.76Å; R84-E95 VanDerWaalsContact CZ-OE2 3.28Å; R84-E95 IonicContact NE-OE2 3.33Å; R84-E95 PolarHBondContact NE-OE2 3.4Å; R84-E95 IonicContact NH2-OE2 3.28Å; R84-E95 PolarHBondContact NH2-OE2 3.27Å; R84-E95 PolarHBondContact O-N 2.87Å
85	E	94.6	Very high	94.7	Very high	71 Å²	71	59.7 Å²	59.7	33%	0.332	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	148.9	158.5	-62	-170.6	127	0	0	109.9	R56 S64 M68 F82 M92 F93 I94	R56-E85 IonicContact CZ-OE1 3.86Å; R56-E85 IonicContact NH1-OE1 2.97Å; R56-E85 PolarHBondContact NH1-OE1 2.93Å; S64-E85 WeakPolarHBondContact CB-OE1 3.23Å; S64-E85 PolarHBondContact OG-OE1 3.33Å; M68-E85 HydrophobicContact CE-CG 4.45Å; F82-E85 HydrophobicContact CZ-CG 4.2Å; E85-M92 HydrophobicContact CB-CE 4.35Å; E85-F93 CarbonylContact C-O 3.6Å; E85-F93 WeakPolarHBondContact CA-O 3.29Å; E85-I94 HydrophobicContact CG-CG2 4.42Å
86	V	93.7	Very high	94.6	Very high	23 Å²	23	60.3 Å²	60.3	14%	0.139	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.9	180	-177.4	0	0	0	0	109	W53 R84 F93 E95	W53-V86 HydrophobicContact CH2-CG1 4.06Å; W53-V86 HydrophobicContact CZ2-CG1 3.73Å; W53-V86 HydrophobicContact CZ2-CG2 4.5Å; R84-V86 HydrophobicContact CG-CG2 3.95Å; V86-F93 HydrophobicContact CB-CB 4.41Å; V86-F93 PolarHBondContact N-O 2.86Å; V86-F93 PolarHBondContact O-N 3.33Å; V86-E95 HydrophobicContact CG2-CB 4.19Å
87	E	93	Very high	94.6	Very high	145 Å²	145	60 Å²	60	68%	0.678	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.9	168.2	-169.8	-179.2	158.1	0	0	109.3	D91 M92	E87-D91 WeakPolarHBondContact CA-O 3.31Å; E87-M92 HydrophobicContact CB-SD 3.65Å; E87-M92 HydrophobicContact CG-SD 3.75Å
88	Y	89.1	Confident	94.4	Very high	110 Å²	110	56.3 Å²	56.3	43%	0.431	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	122.7	177.6	-178.6	-103.8	0	0	0	110.9	W53 G90 D91 F93	W53-Y88 HydrophobicContact CH2-CD2 4.47Å; W53-Y88 HydrophobicContact CZ3-CD1 4.24Å; W53-Y88 HydrophobicContact CZ3-CD2 4.26Å; W53-Y88 AromaticContact CZ3-CG 3.93Å; W53-Y88 HydrophobicContact CZ3-CG 3.93Å; Y88-G90 PolarHBondContact O-N 3.42Å; Y88-D91 PolarHBondContact N-O 2.87Å; Y88-D91 PolarHBondContact O-N 3.41Å; Y88-F93 HydrophobicContact CD1-CE2 4.46Å
89	K	89	Confident	94.3	Very high	172 Å²	172	56.7 Å²	56.7	75%	0.748	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	37.5	-179.4	-66.2	-177.9	173.4	168.8	0	113.9	D91	K89-D91 PolarHBondContact O-N 2.88Å
90	G	87.8	Confident	94.1	Very high	64 Å²	64	58.1 Å²	58.1	66%	0.66	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-1.4	-179.5	0	0	0	0	0	114.7	Y88	Y88-G90 PolarHBondContact O-N 3.42Å
91	D	88.7	Confident	93.8	Very high	61 Å²	61	64.6 Å²	64.6	33%	0.326	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.8	171.2	-76.7	-45.9	0	0	0	110.7	K55 E87 Y88 K89 F93	K55-D91 WeakPolarHBondContact CE-OD1 3.33Å; K55-D91 IonicContact NZ-OD1 2.76Å; K55-D91 PolarHBondContact NZ-OD1 3.07Å; K55-D91 IonicContact NZ-OD2 2.74Å; K55-D91 PolarHBondContact NZ-OD2 2.86Å; E87-D91 WeakPolarHBondContact CA-O 3.31Å; Y88-D91 PolarHBondContact N-O 2.87Å; Y88-D91 PolarHBondContact O-N 3.41Å; K89-D91 PolarHBondContact O-N 2.88Å; D91-F93 HydrophobicContact CB-CD2 4.35Å; D91-F93 HydrophobicContact CB-CE2 3.48Å; D91-F93 VanDerWaalsContact CB-CE2 3.48Å; D91-F93 HydrophobicContact CB-CZ 3.85Å
92	M	91.4	Very high	93.5	Very high	58 Å²	58	63.8 Å²	63.8	29%	0.286	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.3	174.1	-67.1	-64	-67	0	0	111.2	R56 E85 E87	R56-M92 HydrophobicContact CB-CB 4.33Å; R56-M92 HydrophobicContact CG-CB 4.32Å; R56-M92 PolarHBondContact N-O 3.05Å; E85-M92 HydrophobicContact CB-CE 4.35Å; E87-M92 HydrophobicContact CB-SD 3.65Å; E87-M92 HydrophobicContact CG-SD 3.75Å
93	F	93.2	Very high	93.4	Very high	16 Å²	16	63.6 Å²	63.6	7%	0.07	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	157.4	178.8	-59.5	-97.4	0	0	0	110.6	W53 K54 K55 E85 V86 Y88 D91	W53-F93 HydrophobicContact CB-CB 4.1Å; W53-F93 HydrophobicContact CB-CD1 3.89Å; W53-F93 HydrophobicContact CB-CG 4.22Å; W53-F93 HydrophobicContact CG-CB 4.31Å; K54-F93 CarbonylContact O-C 3.45Å; K54-F93 VanDerWaalsContact O-CA 3.27Å; K54-F93 WeakPolarHBondContact O-CA 3.22Å; K55-F93 HydrophobicContact CB-CD1 3.87Å; K55-F93 HydrophobicContact CB-CE1 3.71Å; K55-F93 HydrophobicContact CD-CE1 4.43Å; K55-F93 HydrophobicContact CG-CD1 4.48Å; K55-F93 HydrophobicContact CG-CE1 4.13Å; K55-F93 HydrophobicContact CG-CZ 4.48Å; E85-F93 CarbonylContact C-O 3.6Å; E85-F93 WeakPolarHBondContact CA-O 3.29Å; V86-F93 HydrophobicContact CB-CB 4.41Å; V86-F93 PolarHBondContact N-O 2.86Å; V86-F93 PolarHBondContact O-N 3.33Å; Y88-F93 HydrophobicContact CD1-CE2 4.46Å; D91-F93 HydrophobicContact CB-CD2 4.35Å; D91-F93 HydrophobicContact CB-CE2 3.48Å; D91-F93 VanDerWaalsContact CB-CE2 3.48Å; D91-F93 HydrophobicContact CB-CZ 3.85Å
94	I	94.7	Very high	93.1	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	136.9	160.7	62.2	176.1	0	0	0	108.9	W53 K54 R56 E63 Y67 F82 E85 I96	W53-I94 CarbonylContact C-O 3.52Å; W53-I94 VanDerWaalsContact CA-O 3.31Å; W53-I94 WeakPolarHBondContact CA-O 3.43Å; K54-I94 HydrophobicContact CB-CD1 4.28Å; K54-I94 HydrophobicContact CB-CG1 3.76Å; K54-I94 HydrophobicContact CD-CD1 4.37Å; K54-I94 HydrophobicContact CG-CG1 4.41Å; K54-I94 PolarHBondContact N-O 2.86Å; K54-I94 PolarHBondContact O-N 2.76Å; R56-I94 HydrophobicContact CG-CG2 4.45Å; E63-I94 HydrophobicContact CG-CD1 3.82Å; Y67-I94 HydrophobicContact CD2-CD1 3.69Å; Y67-I94 HydrophobicContact CE2-CD1 3.57Å; F82-I94 HydrophobicContact CD2-CB 4.44Å; F82-I94 HydrophobicContact CE2-CB 3.96Å; F82-I94 HydrophobicContact CE2-CG2 3.99Å; E85-I94 HydrophobicContact CG-CG2 4.42Å; I94-I96 HydrophobicContact CD1-CG2 3.93Å; I94-I96 HydrophobicContact CG1-CG2 4.1Å
95	E	96.3	Very high	92.9	Very high	16 Å²	16	61.4 Å²	61.4	8%	0.075	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.4	170	-173.2	169.9	-172.2	0	0	109.5	T51 L52 Y83 R84 V86	T51-E95 WeakPolarHBondContact CB-OE1 3.46Å; T51-E95 HydrophobicContact CG2-CG 4.23Å; T51-E95 PolarHBondContact OG1-OE1 2.94Å; L52-E95 WeakPolarHBondContact O-CA 3.2Å; Y83-E95 WeakPolarHBondContact CB-O 3.39Å; Y83-E95 PolarHBondContact N-O 3.22Å; R84-E95 HydrophobicContact CG-CB 4.06Å; R84-E95 IonicContact CZ-OE2 2.76Å; R84-E95 VanDerWaalsContact CZ-OE2 3.28Å; R84-E95 IonicContact NE-OE2 3.33Å; R84-E95 PolarHBondContact NE-OE2 3.4Å; R84-E95 IonicContact NH2-OE2 3.28Å; R84-E95 PolarHBondContact NH2-OE2 3.27Å; R84-E95 PolarHBondContact O-N 2.87Å; V86-E95 HydrophobicContact CG2-CB 4.19Å
96	I	96.7	Very high	92.8	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159.1	-178.3	60.1	174.6	0	0	0	110.8	T51 L52 K54 Y67 A80 K81 F82 I94	T51-I96 CarbonylContact C-O 3.55Å; T51-I96 VanDerWaalsContact CA-O 3.22Å; T51-I96 WeakPolarHBondContact CA-O 3.24Å; T51-I96 WeakPolarHBondContact CB-O 3.38Å; L52-I96 HydrophobicContact CB-CG1 4.31Å; L52-I96 PolarHBondContact N-O 2.83Å; L52-I96 PolarHBondContact O-N 2.87Å; K54-I96 HydrophobicContact CB-CD1 4.46Å; Y67-I96 HydrophobicContact CD2-CG2 4.41Å; Y67-I96 HydrophobicContact CE1-CG2 4.2Å; Y67-I96 HydrophobicContact CE2-CG2 4.06Å; A80-I96 HydrophobicContact CB-CB 4.36Å; K81-I96 CarbonylContact O-C 3.51Å; K81-I96 VanDerWaalsContact O-CA 3.29Å; K81-I96 WeakPolarHBondContact O-CA 3.47Å; F82-I96 HydrophobicContact CD2-CG2 4.21Å; I94-I96 HydrophobicContact CD1-CG2 3.93Å; I94-I96 HydrophobicContact CG1-CG2 4.1Å
97	E	97	Very high	92.9	Very high	40 Å²	40	57.5 Å²	57.5	19%	0.187	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	135.9	173.8	-179.5	-180	-166.1	0	0	112.3	A80 K81 Y83 L99 H102	A80-E97 HydrophobicContact CB-CB 4.14Å; K81-E97 HydrophobicContact CB-CB 4.01Å; K81-E97 PolarHBondContact N-OE2 2.88Å; K81-E97 PolarHBondContact O-N 3.03Å; Y83-E97 HydrophobicContact CE2-CB 4.15Å; E97-L99 HydrophobicContact CG-CD2 4.29Å; E97-L99 PolarHBondContact O-N 3.03Å; E97-H102 IonicContact OE1-CD2 2.76Å; E97-H102 IonicContact OE1-CE1 3.59Å; E97-H102 PolarHBondContact OE1-CE1 3.34Å; E97-H102 VanDerWaalsContact OE1-CE1 3.28Å; E97-H102 IonicContact OE1-NE2 3.81Å; E97-H102 PolarHBondContact OE1-NE2 2.84Å
98	D	95	Very high	93	Very high	4 Å²	4	51 Å²	51	2%	0.021	26%	0.26	C	S	.	.			trans	-80.5	93.8	168.1	-171.8	-13.8	0	0	0	109.6	R30 N50 L52 T100 R101	R30-D98 IonicContact NH2-OD2 3.44Å; R30-D98 PolarHBondContact NH2-OD2 3.05Å; R30-D98 VanDerWaalsContact NH2-OD2 3.1Å; N50-D98 PolarHBondContact O-N 3.15Å; L52-D98 HydrophobicContact CD1-CB 4.15Å; L52-D98 HydrophobicContact CD2-CB 4.15Å; L52-D98 HydrophobicContact CG-CB 3.78Å; D98-T100 PolarHBondContact O-N 2.87Å; D98-T100 VanDerWaalsContact O-N 3.08Å; D98-T100 WeakPolarHBondContact OD1-CB 3.49Å; D98-T100 PolarHBondContact OD1-N 3.32Å; D98-T100 VanDerWaalsContact OD1-N 3.14Å; D98-T100 PolarHBondContact OD1-OG1 3.02Å; D98-R101 HydrophobicContact CB-CG 3.66Å; D98-R101 WeakPolarHBondContact O-CB 3.24Å; D98-R101 WeakPolarHBondContact O-CG 3.34Å; D98-R101 PolarHBondContact O-N 2.77Å; D98-R101 VanDerWaalsContact O-N 3.12Å
99	L	95.3	Very high	93.3	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.058	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-59.9	-21.2	-178.3	-62.7	176.5	0	0	0	113.3	A80 E97 R101 H102 L246 M248 W257 I259	A80-L99 HydrophobicContact CB-CD1 4.21Å; A80-L99 HydrophobicContact CB-CD2 4.01Å; A80-L99 HydrophobicContact CB-CG 4.02Å; E97-L99 HydrophobicContact CG-CD2 4.29Å; E97-L99 PolarHBondContact O-N 3.03Å; L99-R101 PolarHBondContact O-N 3.5Å; L99-H102 PolarHBondContact O-CD2 2.91Å; L99-L246 HydrophobicContact CD1-CD2 4.35Å; L99-M248 HydrophobicContact CB-CE 3.51Å; L99-W257 HydrophobicContact CD1-CB 3.63Å; L99-W257 HydrophobicContact CD1-CD2 3.85Å; L99-W257 HydrophobicContact CD1-CE3 4.32Å; L99-W257 HydrophobicContact CD1-CG 3.54Å; L99-W257 HydrophobicContact CD2-CD2 4.02Å; L99-W257 HydrophobicContact CD2-CG 3.99Å; L99-W257 HydrophobicContact CD2-CZ2 4.23Å; L99-W257 HydrophobicContact CG-CD2 4.4Å; L99-W257 HydrophobicContact CG-CG 4.37Å; L99-I259 HydrophobicContact CD1-CG2 4.22Å
100	T	93.1	Very high	93.7	Very high	37 Å²	37	37.6 Å²	37.6	23%	0.227	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-71	-19.4	-179.3	72.7	0	0	0	0	112.4	W34 D98 H102 F103 I108 M248	W34-T100 HydrophobicContact CZ3-CG2 4.28Å; D98-T100 PolarHBondContact O-N 2.87Å; D98-T100 VanDerWaalsContact O-N 3.08Å; D98-T100 WeakPolarHBondContact OD1-CB 3.49Å; D98-T100 PolarHBondContact OD1-N 3.32Å; D98-T100 VanDerWaalsContact OD1-N 3.14Å; D98-T100 PolarHBondContact OD1-OG1 3.02Å; T100-H102 PolarHBondContact O-N 3.22Å; T100-F103 PolarHBondContact O-N 3.2Å; T100-I108 HydrophobicContact CG2-CD1 4.36Å; T100-M248 HydrophobicContact CG2-SD 4.13Å
101	R	92.2	Very high	94.1	Very high	137 Å²	137	34.6 Å²	34.6	52%	0.517	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-69.4	-15.3	-178.8	-57.6	-58.8	-63.2	169.7	-2.9	113.8	D49 D98 L99 F103	D49-R101 VanDerWaalsContact O-CD 3.27Å; D49-R101 WeakPolarHBondContact O-CD 3.38Å; D49-R101 WeakPolarHBondContact O-CG 3.48Å; D49-R101 PolarHBondContact O-NE 3.25Å; D98-R101 HydrophobicContact CB-CG 3.66Å; D98-R101 WeakPolarHBondContact O-CB 3.24Å; D98-R101 WeakPolarHBondContact O-CG 3.34Å; D98-R101 PolarHBondContact O-N 2.77Å; D98-R101 VanDerWaalsContact O-N 3.12Å; L99-R101 PolarHBondContact O-N 3.5Å; R101-F103 PolarHBondContact O-N 2.93Å
102	H	92.7	Very high	94.5	Very high	91 Å²	91	32.8 Å²	32.8	42%	0.421	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-76.1	-5.5	172.6	-59.8	-56.2	0	0	0	113.3	E97 L99 T100 H253	E97-H102 IonicContact OE1-CD2 2.76Å; E97-H102 IonicContact OE1-CE1 3.59Å; E97-H102 PolarHBondContact OE1-CE1 3.34Å; E97-H102 VanDerWaalsContact OE1-CE1 3.28Å; E97-H102 IonicContact OE1-NE2 3.81Å; E97-H102 PolarHBondContact OE1-NE2 2.84Å; L99-H102 PolarHBondContact O-CD2 2.91Å; T100-H102 PolarHBondContact O-N 3.22Å; H102-H253 PolarHBondContact O-ND1 2.95Å
103	F	93.8	Very high	94.8	Very high	20 Å²	20	30 Å²	30	9%	0.088	15%	0.149	C	C	.	.	S	Bend	trans	-129.6	156.8	-172	-57.9	-94.1	0	0	0	112.7	T100 R101 P106 M248 D250 H253 N255 W257	T100-F103 PolarHBondContact O-N 3.2Å; R101-F103 PolarHBondContact O-N 2.93Å; F103-P106 HydrophobicContact CB-CB 3.67Å; F103-P106 HydrophobicContact CB-CG 3.89Å; F103-P106 HydrophobicContact CD1-CB 4.43Å; F103-P106 HydrophobicContact CG-CB 4.01Å; F103-M248 HydrophobicContact CD2-CB 4.27Å; F103-M248 HydrophobicContact CD2-CE 4.27Å; F103-M248 HydrophobicContact CD2-SD 4.43Å; F103-M248 HydrophobicContact CE1-CB 4.09Å; F103-M248 HydrophobicContact CE2-CB 3.75Å; F103-M248 HydrophobicContact CE2-CE 3.76Å; F103-M248 HydrophobicContact CE2-SD 4.33Å; F103-M248 HydrophobicContact CZ-CB 3.65Å; F103-D250 WeakPolarHBondContact CA-OD2 3.25Å; F103-D250 HydrophobicContact CB-CB 4.34Å; F103-D250 WeakPolarHBondContact CB-OD2 3.42Å; F103-D250 HydrophobicContact CD1-CB 4.19Å; F103-H253 HydrophobicContact CD1-CB 3.88Å; F103-H253 HydrophobicContact CE1-CB 3.7Å; F103-N255 HydrophobicContact CZ-CB 4.1Å; F103-W257 AromaticContact CE2-CH2 3.38Å; F103-W257 HydrophobicContact CE2-CH2 3.38Å; F103-W257 AromaticContact CE2-CZ3 3.61Å; F103-W257 HydrophobicContact CE2-CZ3 3.61Å; F103-W257 AromaticContact CZ-CH2 3.53Å; F103-W257 HydrophobicContact CZ-CH2 3.53Å; F103-W257 AromaticContact CZ-CZ3 3.66Å; F103-W257 HydrophobicContact CZ-CZ3 3.66Å
104	T	92.2	Very high	95.1	Very high	107 Å²	107	29.3 Å²	29.3	66%	0.656	15%	0.145	S	C	*	.	S	Bend	trans	-108.7	112.6	169.2	-54.8	0	0	0	0	109	D250	T104-D250 PolarHBondContact N-OD2 2.71Å; T104-D250 WeakPolarHBondContact O-CB 3.41Å
105	N	91.4	Very high	95.1	Very high	92 Å²	92	30.6 Å²	30.6	49%	0.492	15%	0.153	S	C	.	.	S	Bend	trans	49.1	62.5	-176.9	-172.8	35.4	0	0	0	113.6	Q182	N105-Q182 PolarHBondContact ND2-O 2.99Å
106	P	93.3	Very high	95	Very high	13 Å²	13	30 Å²	30	8%	0.084	15%	0.15	C	C	.	.			trans	-71.1	142.6	-175.2	27.5	-33.5	0	0	0	112.7	F103 I108 Y249	F103-P106 HydrophobicContact CB-CB 3.67Å; F103-P106 HydrophobicContact CB-CG 3.89Å; F103-P106 HydrophobicContact CD1-CB 4.43Å; F103-P106 HydrophobicContact CG-CB 4.01Å; P106-I108 HydrophobicContact CB-CG1 4.12Å; P106-I108 HydrophobicContact CG-CD1 4.17Å; P106-I108 HydrophobicContact CG-CG1 4.13Å; P106-Y249 CarbonylContact C-O 3.52Å; P106-Y249 VanDerWaalsContact CA-O 3.24Å; P106-Y249 WeakPolarHBondContact CA-O 3.46Å
107	A	94.5	Very high	94.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	139.5	150.6	0	0	0	0	0	108.9	K180 Q182 F206 M248 Y249	A107-K180 CarbonylContact C-O 3.53Å; A107-K180 VanDerWaalsContact CA-O 3.27Å; A107-K180 WeakPolarHBondContact CA-O 3.44Å; A107-Q182 HydrophobicContact CB-CG 3.83Å; A107-F206 HydrophobicContact CB-CD2 4.47Å; A107-F206 HydrophobicContact CB-CE2 3.76Å; A107-F206 HydrophobicContact CB-CZ 4.29Å; A107-M248 VanDerWaalsContact O-CA 3.29Å; A107-M248 WeakPolarHBondContact O-CA 3.49Å; A107-Y249 HydrophobicContact CB-CD1 3.86Å; A107-Y249 HydrophobicContact CB-CE1 3.33Å; A107-Y249 HydrophobicContact CB-CE2 4.2Å; A107-Y249 HydrophobicContact CB-CG 4.48Å; A107-Y249 VanDerWaalsContact CB-CZ 3.49Å; A107-Y249 PolarHBondContact N-O 3.37Å; A107-Y249 PolarHBondContact O-N 3.29Å; A107-Y249 VanDerWaalsContact O-N 3.07Å
108	I	95.8	Very high	94.3	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.041	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.8	-173	-46.3	179.5	0	0	0	108.9	L37 T100 P106 V179 K180 L246 F247 M248	L37-I108 HydrophobicContact CD1-CB 3.75Å; L37-I108 HydrophobicContact CD1-CG2 3.29Å; L37-I108 HydrophobicContact CG-CG2 4.24Å; T100-I108 HydrophobicContact CG2-CD1 4.36Å; P106-I108 HydrophobicContact CB-CG1 4.12Å; P106-I108 HydrophobicContact CG-CD1 4.17Å; P106-I108 HydrophobicContact CG-CG1 4.13Å; I108-V179 CarbonylContact O-C 3.57Å; I108-V179 WeakPolarHBondContact O-CA 3.48Å; I108-K180 HydrophobicContact CB-CB 4.46Å; I108-K180 HydrophobicContact CD1-CD 4.26Å; I108-K180 PolarHBondContact N-O 3.45Å; I108-K180 PolarHBondContact O-N 3.02Å; I108-L246 HydrophobicContact CG2-CD1 3.58Å; I108-L246 HydrophobicContact CG2-CG 4.1Å; I108-F247 CarbonylContact C-O 3.52Å; I108-F247 VanDerWaalsContact CA-O 3.31Å; I108-F247 WeakPolarHBondContact CA-O 3.33Å; I108-M248 HydrophobicContact CB-CG 4.2Å; I108-M248 HydrophobicContact CD1-SD 4.2Å; I108-M248 HydrophobicContact CG1-CG 3.99Å; I108-M248 HydrophobicContact CG1-SD 4.09Å; I108-M248 HydrophobicContact CG2-CG 3.79Å; I108-M248 HydrophobicContact CG2-SD 4.18Å
109	M	96.1	Very high	94.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.1	172.5	169.7	-173.7	-75.6	0	0	109.7	I111 I176 A178 V179 V202 L203 F206 F247	M109-I111 HydrophobicContact CG-CD1 4.36Å; M109-I111 HydrophobicContact CG-CG1 3.85Å; M109-I111 HydrophobicContact SD-CD1 3.74Å; M109-I111 HydrophobicContact SD-CG1 3.87Å; M109-I176 HydrophobicContact CE-CD1 4.32Å; M109-I176 HydrophobicContact CE-CG2 4.34Å; M109-I176 HydrophobicContact CG-CG2 4.18Å; M109-I176 HydrophobicContact SD-CD1 4.46Å; M109-I176 HydrophobicContact SD-CG2 4.4Å; M109-A178 WeakPolarHBondContact CA-O 3.46Å; M109-V179 HydrophobicContact CB-CG2 4.13Å; M109-V179 HydrophobicContact CE-CG2 3.46Å; M109-V179 VanDerWaalsContact CE-CG2 3.46Å; M109-V179 HydrophobicContact CG-CG2 3.96Å; M109-V202 HydrophobicContact CE-CG1 3.95Å; M109-L203 HydrophobicContact CE-CD2 4.16Å; M109-L203 HydrophobicContact SD-CD2 3.7Å; M109-F206 HydrophobicContact CB-CD1 4.08Å; M109-F206 HydrophobicContact CB-CD2 4.02Å; M109-F206 HydrophobicContact CB-CE1 3.76Å; M109-F206 HydrophobicContact CB-CE2 3.65Å; M109-F206 HydrophobicContact CB-CG 4.22Å; M109-F206 HydrophobicContact CB-CZ 3.52Å; M109-F206 HydrophobicContact CE-CB 3.32Å; M109-F206 HydrophobicContact CE-CD1 3.64Å; M109-F206 HydrophobicContact CE-CD2 4.03Å; M109-F206 HydrophobicContact CE-CE1 4.47Å; M109-F206 HydrophobicContact CE-CG 3.39Å; M109-F206 HydrophobicContact SD-CD1 4.01Å; M109-F206 HydrophobicContact SD-CE1 4.4Å; M109-F206 HydrophobicContact SD-CG 4.33Å; M109-F247 HydrophobicContact CB-CB 4.13Å; M109-F247 PolarHBondContact N-O 3.26Å; M109-F247 PolarHBondContact O-N 2.89Å
110	D	96.8	Very high	93.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.3	173.9	-175.1	-28.3	0	0	0	109.3	L37 S38 E177 A178 S244 L246	L37-D110 HydrophobicContact CD1-CB 4.32Å; S38-D110 VanDerWaalsContact CB-OD2 3.24Å; S38-D110 WeakPolarHBondContact CB-OD2 3.39Å; S38-D110 PolarHBondContact OG-OD2 2.9Å; D110-E177 HydrophobicContact CB-CB 4.42Å; D110-E177 PolarHBondContact O-N 3.49Å; D110-A178 PolarHBondContact N-O 2.84Å; D110-S244 WeakPolarHBondContact OD1-CB 3.4Å; D110-S244 PolarHBondContact OD1-OG 3.35Å; D110-L246 HydrophobicContact CB-CD1 4.4Å
111	I	97	Very high	93.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.6	175.1	-54.9	-173.4	0	0	0	108.8	M109 M113 F174 R175 I176 L203 S244 L245 F247 L294	M109-I111 HydrophobicContact CG-CD1 4.36Å; M109-I111 HydrophobicContact CG-CG1 3.85Å; M109-I111 HydrophobicContact SD-CD1 3.74Å; M109-I111 HydrophobicContact SD-CG1 3.87Å; I111-M113 HydrophobicContact CG2-SD 3.89Å; I111-F174 HydrophobicContact CG2-CB 3.81Å; I111-F174 HydrophobicContact CG2-CD2 3.57Å; I111-F174 HydrophobicContact CG2-CG 4.02Å; I111-R175 CarbonylContact C-O 3.54Å; I111-R175 WeakPolarHBondContact CA-O 3.37Å; I111-I176 HydrophobicContact CG1-CG1 4.36Å; I111-L203 HydrophobicContact CD1-CD2 4.27Å; I111-S244 CarbonylContact O-C 3.58Å; I111-S244 WeakPolarHBondContact O-CA 3.21Å; I111-S244 WeakPolarHBondContact O-CB 3.4Å; I111-L245 PolarHBondContact N-O 2.85Å; I111-L245 PolarHBondContact O-N 3.15Å; I111-F247 HydrophobicContact CD1-CD2 4.05Å; I111-F247 HydrophobicContact CD1-CE1 4.48Å; I111-F247 HydrophobicContact CD1-CE2 3.66Å; I111-F247 HydrophobicContact CD1-CZ 3.91Å; I111-F247 HydrophobicContact CG1-CD2 4.33Å; I111-F247 HydrophobicContact CG1-CE2 4.26Å; I111-L294 HydrophobicContact CD1-CD1 3.78Å; I111-L294 HydrophobicContact CD1-CD2 4.15Å; I111-L294 HydrophobicContact CG2-CD2 4.43Å
112	K	96.5	Very high	93.3	Very high	24 Å²	24	26.6 Å²	26.6	10%	0.104	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.1	172.4	-172.8	165.7	-57.6	-51.1	0	110.4	T117 F174 R175 E177 G242 S244	K112-T117 HydrophobicContact CD-CG2 3.93Å; K112-T117 HydrophobicContact CG-CG2 4.29Å; K112-F174 CarbonylContact O-C 3.51Å; K112-F174 WeakPolarHBondContact O-CA 3.38Å; K112-F174 WeakPolarHBondContact O-CB 3.04Å; K112-R175 HydrophobicContact CB-CG 4.18Å; K112-R175 PolarHBondContact N-O 2.8Å; K112-R175 PolarHBondContact O-N 3.25Å; K112-E177 HydrophobicContact CB-CG 3.75Å; K112-E177 WeakPolarHBondContact CE-OE2 3.3Å; K112-G242 PolarHBondContact NZ-O 3.44Å; K112-S244 WeakPolarHBondContact CA-OG 2.99Å
113	M	98.1	Very high	92.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	159.7	-173.9	-60.7	-56.6	-63.5	0	0	112.5	I111 F174 S243 L245 Y287 L291 L294	I111-M113 HydrophobicContact CG2-SD 3.89Å; M113-F174 HydrophobicContact CE-CB 4.15Å; M113-F174 HydrophobicContact SD-CB 3.74Å; M113-S243 PolarHBondContact N-O 3.3Å; M113-L245 HydrophobicContact CE-CD1 4.08Å; M113-L245 HydrophobicContact CG-CB 4.46Å; M113-L245 HydrophobicContact CG-CD1 4.14Å; M113-L245 HydrophobicContact CG-CG 3.75Å; M113-L245 HydrophobicContact SD-CB 4.46Å; M113-L245 HydrophobicContact SD-CD1 3.73Å; M113-L245 HydrophobicContact SD-CG 3.93Å; M113-Y287 HydrophobicContact CB-CD2 3.55Å; M113-Y287 HydrophobicContact CB-CE1 4.28Å; M113-Y287 HydrophobicContact CB-CE2 3.28Å; M113-Y287 HydrophobicContact CB-CG 4.17Å; M113-Y287 HydrophobicContact CE-CE1 4.32Å; M113-Y287 HydrophobicContact CG-CD2 4.41Å; M113-Y287 HydrophobicContact CG-CE1 4.2Å; M113-Y287 HydrophobicContact CG-CE2 3.75Å; M113-L291 HydrophobicContact CE-CB 4.17Å; M113-L294 HydrophobicContact CE-CD2 4.3Å; M113-L294 HydrophobicContact SD-CD2 4.09Å
114	G	97.6	Very high	92	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	98.3	153.7	179.3	0	0	0	0	0	112.5	R116 T169 G173 D285	G114-R116 VanDerWaalsContact C-N 3.28Å; G114-T169 WeakPolarHBondContact O-CG2 3.46Å; G114-G173 CarbonylContact C-O 3.55Å; G114-G173 VanDerWaalsContact C-O 3.27Å; G114-G173 WeakPolarHBondContact CA-O 3.45Å; G114-G173 PolarHBondContact N-O 3.36Å; G114-G173 CarbonylContact O-C 3.55Å; G114-G173 VanDerWaalsContact O-C 3.24Å; G114-D285 CarbonylContact C-O 3.51Å; G114-D285 WeakPolarHBondContact CA-O 3.45Å
115	T	95.7	Very high	91.6	Very high	28 Å²	28	30.2 Å²	30.2	17%	0.172	16%	0.16	C	C	.	.	S	Bend	trans	-78.6	-17.9	167.7	53	0	0	0	0	111.8	T169 D285 Y289	T115-T169 WeakPolarHBondContact O-CG2 3.44Å; T115-D285 PolarHBondContact N-O 3.15Å; T115-D285 PolarHBondContact OG1-O 2.61Å; T115-Y289 HydrophobicContact CG2-CD1 3.72Å; T115-Y289 HydrophobicContact CG2-CE1 4.09Å
116	R	93.3	Very high	91.3	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.011	17%	0.169	C	C	.	.			trans	-123.5	137.8	179.1	177.7	174	58.3	98.3	-6.6	110.4	G114 F118 E239 I241 W278 H283 E284 D285	G114-R116 VanDerWaalsContact C-N 3.28Å; R116-F118 WeakPolarHBondContact CD-O 3.46Å; R116-F118 HydrophobicContact CG-CD1 4.08Å; R116-F118 HydrophobicContact CG-CD2 4.26Å; R116-F118 HydrophobicContact CG-CE1 3.92Å; R116-F118 HydrophobicContact CG-CE2 4.09Å; R116-F118 HydrophobicContact CG-CG 4.25Å; R116-F118 HydrophobicContact CG-CZ 3.92Å; R116-F118 VanDerWaalsContact CG-O 3.26Å; R116-F118 WeakPolarHBondContact CG-O 3.42Å; R116-F118 PolarHBondContact NH1-O 3.49Å; R116-E239 IonicContact CZ-OE2 2.78Å; R116-E239 IonicContact NH1-OE2 3.79Å; R116-E239 PolarHBondContact NH1-OE2 3.34Å; R116-E239 IonicContact NH2-OE2 3.97Å; R116-E239 PolarHBondContact NH2-OE2 3.29Å; R116-I241 HydrophobicContact CB-CD1 4.27Å; R116-I241 HydrophobicContact CG-CD1 4.16Å; R116-I241 WeakPolarHBondContact O-CD1 3.49Å; R116-W278 VanDerWaalsContact NE-CD1 3.25Å; R116-H283 VanDerWaalsContact NH2-C 3.33Å; R116-H283 PolarHBondContact NH2-O 3.17Å; R116-E284 PolarHBondContact NE-O 2.95Å; R116-E284 VanDerWaalsContact NE-O 3.09Å; R116-E284 PolarHBondContact NH2-O 3.12Å; R116-D285 PolarHBondContact N-O 3.34Å
117	T	89.6	Confident	91.2	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.018	19%	0.192	C	C	.	.			trans	-124.4	10.3	-176.8	57.5	0	0	0	0	114.4	K112 M160 E164 T169	K112-T117 HydrophobicContact CD-CG2 3.93Å; K112-T117 HydrophobicContact CG-CG2 4.29Å; T117-M160 WeakPolarHBondContact O-CE 3.47Å; T117-M160 WeakPolarHBondContact OG1-CE 3.46Å; T117-E164 WeakPolarHBondContact CB-OE1 3.03Å; T117-E164 PolarHBondContact N-OE1 2.78Å; T117-E164 PolarHBondContact OG1-OE1 2.88Å; T117-T169 HydrophobicContact CG2-CG2 4.29Å
118	F	90.5	Very high	91.2	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.018	21%	0.211	C	C	.	.	S	Bend	trans	-125.2	148.5	173.1	59.1	-91.8	0	0	0	110.4	R116 E122 V123 L157 M160 Q161 E164 W278	R116-F118 WeakPolarHBondContact CD-O 3.46Å; R116-F118 HydrophobicContact CG-CD1 4.08Å; R116-F118 HydrophobicContact CG-CD2 4.26Å; R116-F118 HydrophobicContact CG-CE1 3.92Å; R116-F118 HydrophobicContact CG-CE2 4.09Å; R116-F118 HydrophobicContact CG-CG 4.25Å; R116-F118 HydrophobicContact CG-CZ 3.92Å; R116-F118 VanDerWaalsContact CG-O 3.26Å; R116-F118 WeakPolarHBondContact CG-O 3.42Å; R116-F118 PolarHBondContact NH1-O 3.49Å; F118-E122 VanDerWaalsContact CA-OE2 3.31Å; F118-E122 WeakPolarHBondContact CA-OE2 3.38Å; F118-V123 HydrophobicContact CD2-CG2 3.87Å; F118-V123 HydrophobicContact CE2-CG2 3.6Å; F118-L157 HydrophobicContact CB-CD1 4.44Å; F118-L157 HydrophobicContact CD1-CD1 3.87Å; F118-L157 HydrophobicContact CD2-CD1 3.42Å; F118-L157 VanDerWaalsContact CD2-CD1 3.42Å; F118-L157 HydrophobicContact CE1-CD1 3.91Å; F118-L157 HydrophobicContact CE2-CD1 3.5Å; F118-L157 VanDerWaalsContact CE2-CD1 3.5Å; F118-L157 HydrophobicContact CG-CD1 3.63Å; F118-L157 HydrophobicContact CZ-CD1 3.74Å; F118-M160 HydrophobicContact CB-CB 4.44Å; F118-M160 HydrophobicContact CB-CG 4.38Å; F118-M160 HydrophobicContact CD1-CB 3.99Å; F118-Q161 HydrophobicContact CE1-CG 4.07Å; F118-E164 WeakPolarHBondContact CD1-OE1 3.48Å; F118-E164 WeakPolarHBondContact CE1-OE2 3.25Å; F118-W278 AromaticContact CE2-CH2 3.94Å; F118-W278 HydrophobicContact CE2-CH2 3.94Å; F118-W278 HydrophobicContact CE2-CZ2 4.08Å; F118-W278 AromaticContact CZ-CH2 3.92Å; F118-W278 HydrophobicContact CZ-CH2 3.92Å; F118-W278 HydrophobicContact CZ-CZ2 4.41Å; F118-W278 HydrophobicContact CZ-CZ3 4.06Å
119	L	91.2	Very high	91.1	Very high	15 Å²	15	43.8 Å²	43.8	8%	0.079	23%	0.226	C	C	.	.			trans	-75.1	153	173.5	-65.2	166.9	0	0	0	110.1	S121 E122 E239 I241 K263 F265	L119-S121 PolarHBondContact O-N 2.83Å; L119-E122 HydrophobicContact CB-CG 4.15Å; L119-E122 PolarHBondContact N-OE2 3.12Å; L119-E122 WeakPolarHBondContact O-CB 3.25Å; L119-E122 PolarHBondContact O-N 2.88Å; L119-E239 HydrophobicContact CD2-CG 4.22Å; L119-E239 VanDerWaalsContact CD2-OE1 3.32Å; L119-E239 WeakPolarHBondContact CD2-OE1 3.32Å; L119-I241 HydrophobicContact CD2-CB 3.98Å; L119-I241 HydrophobicContact CD2-CG1 4.03Å; L119-I241 HydrophobicContact CD2-CG2 4.32Å; L119-I241 HydrophobicContact CG-CG2 4.43Å; L119-K263 HydrophobicContact CD1-CB 4.3Å; L119-K263 HydrophobicContact CD1-CD 4.36Å; L119-K263 HydrophobicContact CD1-CG 4.1Å; L119-K263 HydrophobicContact CD2-CB 4.35Å; L119-K263 HydrophobicContact CG-CB 4.37Å; L119-K263 HydrophobicContact CG-CD 4.35Å; L119-K263 HydrophobicContact CG-CG 4.46Å; L119-F265 HydrophobicContact CD1-CD2 3.99Å; L119-F265 HydrophobicContact CD1-CE2 3.85Å; L119-F265 HydrophobicContact CD2-CD2 4Å
120	E	90.2	Very high	91.1	Very high	25 Å²	25	47.9 Å²	47.9	12%	0.117	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-61.8	-32.7	176.5	-62	-160	159.8	0	0	112.5	E122 V123 W278 L280 G281 H283	E120-E122 PolarHBondContact O-N 2.98Å; E120-V123 VanDerWaalsContact O-CB 3.25Å; E120-V123 WeakPolarHBondContact O-CB 3.15Å; E120-V123 WeakPolarHBondContact O-CG2 3.38Å; E120-V123 PolarHBondContact O-N 2.61Å; E120-W278 PolarHBondContact OE1-NE1 2.86Å; E120-L280 HydrophobicContact CB-CD1 4.14Å; E120-L280 HydrophobicContact CG-CD1 4.26Å; E120-G281 VanDerWaalsContact CD-N 3.3Å; E120-G281 PolarHBondContact OE1-N 3.22Å; E120-G281 WeakPolarHBondContact OE2-CA 3.31Å; E120-G281 PolarHBondContact OE2-N 3.24Å; E120-H283 PolarHBondContact OE1-N 2.82Å; E120-H283 IonicContact OE2-CE1 3.54Å; E120-H283 IonicContact OE2-ND1 3.84Å; E120-H283 IonicContact OE2-NE2 3.72Å
121	S	86.8	Confident	91	Very high	97 Å²	97	50 Å²	50	68%	0.678	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-62.5	-23.7	173.4	58.6	0	0	0	0	113.3	L119 V123	L119-S121 PolarHBondContact O-N 2.83Å; S121-V123 VanDerWaalsContact C-N 3.33Å
122	E	85.9	Confident	90.9	Very high	27 Å²	27	50.5 Å²	50.5	13%	0.126	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-79.8	-14.7	176.2	-65.1	176.1	117	0	0	112.6	F118 L119 E120 K124 N125 K156 K263	F118-E122 VanDerWaalsContact CA-OE2 3.31Å; F118-E122 WeakPolarHBondContact CA-OE2 3.38Å; L119-E122 HydrophobicContact CB-CG 4.15Å; L119-E122 PolarHBondContact N-OE2 3.12Å; L119-E122 WeakPolarHBondContact O-CB 3.25Å; L119-E122 PolarHBondContact O-N 2.88Å; E120-E122 PolarHBondContact O-N 2.98Å; E122-K124 PolarHBondContact O-N 3.07Å; E122-N125 PolarHBondContact O-N 3.23Å; E122-K156 WeakPolarHBondContact OE1-CE 3.35Å; E122-K156 IonicContact OE1-NZ 2.69Å; E122-K156 PolarHBondContact OE1-NZ 2.87Å; E122-K263 IonicContact OE1-NZ 3.47Å; E122-K263 PolarHBondContact OE1-NZ 3.02Å; E122-K263 IonicContact OE2-NZ 2.92Å; E122-K263 PolarHBondContact OE2-NZ 3.35Å
123	V	83.1	Confident	90.9	Very high	42 Å²	42	50.5 Å²	50.5	26%	0.255	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.8	-176.3	176.5	0	0	0	0	112	F118 E120 S121 L157 L280	F118-V123 HydrophobicContact CD2-CG2 3.87Å; F118-V123 HydrophobicContact CE2-CG2 3.6Å; E120-V123 VanDerWaalsContact O-CB 3.25Å; E120-V123 WeakPolarHBondContact O-CB 3.15Å; E120-V123 WeakPolarHBondContact O-CG2 3.38Å; E120-V123 PolarHBondContact O-N 2.61Å; S121-V123 VanDerWaalsContact C-N 3.33Å; V123-L157 HydrophobicContact CB-CD2 4.33Å; V123-L157 HydrophobicContact CG1-CD2 3.97Å; V123-L157 HydrophobicContact CG2-CD1 4.15Å; V123-L157 WeakPolarHBondContact O-CD2 3.39Å; V123-L280 HydrophobicContact CG2-CD1 4.45Å
124	K	76.9	Confident	90.8	Very high	186 Å²	186	55.4 Å²	55.4	81%	0.809	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	3.5	-177.1	-64.1	-175.7	-178.8	177.5	0	114.1	E122 P126	E122-K124 PolarHBondContact O-N 3.07Å; K124-P126 WeakPolarHBondContact O-CD 3.42Å
125	N	82.8	Confident	90.6	Very high	67 Å²	67	59.2 Å²	59.2	36%	0.358	30%	0.297	S	S	.	.			trans	-77.7	113.7	-175	-172.3	-17.7	0	0	0	111.2	E122 I127	E122-N125 PolarHBondContact O-N 3.23Å; N125-I127 VanDerWaalsContact C-N 3.31Å; N125-I127 PolarHBondContact O-N 3.14Å; N125-I127 VanDerWaalsContact OD1-CB 3.27Å; N125-I127 WeakPolarHBondContact OD1-CB 3.34Å; N125-I127 WeakPolarHBondContact OD1-CG1 3.4Å; N125-I127 PolarHBondContact OD1-N 3.08Å
126	P	86.5	Confident	90.6	Very high	104 Å²	104	57.9 Å²	57.9	68%	0.675	29%	0.289	S	S	*	.			trans	-84.3	-3.3	-176.8	36.4	-35.6	0	0	0	113.4	K124 K128	K124-P126 WeakPolarHBondContact O-CD 3.42Å; P126-K128 PolarHBondContact O-N 2.9Å; P126-K128 VanDerWaalsContact O-N 3.15Å
127	I	91.2	Very high	90.7	Very high	112 Å²	112	59.6 Å²	59.6	57%	0.574	30%	0.3	S	S	*	.			trans	-65.8	117.1	-175.2	-62.2	170.1	0	0	0	109.7	N125	N125-I127 VanDerWaalsContact C-N 3.31Å; N125-I127 PolarHBondContact O-N 3.14Å; N125-I127 VanDerWaalsContact OD1-CB 3.27Å; N125-I127 WeakPolarHBondContact OD1-CB 3.34Å; N125-I127 WeakPolarHBondContact OD1-CG1 3.4Å; N125-I127 PolarHBondContact OD1-N 3.08Å
128	K	92.8	Very high	90.9	Very high	88 Å²	88	65 Å²	65	38%	0.383	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	149.3	174.1	-62	-174.9	-179.2	-171.5	0	110.9	P126 E151 A153 I154 T155	P126-K128 PolarHBondContact O-N 2.9Å; P126-K128 VanDerWaalsContact O-N 3.15Å; K128-E151 WeakPolarHBondContact CD-OE2 3.48Å; K128-E151 WeakPolarHBondContact CE-OE2 3.25Å; K128-E151 IonicContact NZ-OE1 2.7Å; K128-E151 PolarHBondContact NZ-OE1 3.44Å; K128-E151 IonicContact NZ-OE2 2.76Å; K128-E151 PolarHBondContact NZ-OE2 2.81Å; K128-A153 HydrophobicContact CB-CB 3.81Å; K128-I154 CarbonylContact C-O 3.27Å; K128-I154 WeakPolarHBondContact CA-O 3.49Å; K128-T155 HydrophobicContact CG-CG2 4.01Å
129	R	95.1	Very high	90.9	Very high	94 Å²	94	65.7 Å²	65.7	36%	0.355	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	126.7	-176.7	-71.9	-178	57.6	162.4	0.5	111.2	D131 L132 Y133 I154	R129-D131 IonicContact CZ-OD1 2.67Å; R129-D131 VanDerWaalsContact CZ-OD1 3.23Å; R129-D131 IonicContact CZ-OD2 2.86Å; R129-D131 IonicContact NE-OD1 2.89Å; R129-D131 PolarHBondContact NE-OD1 3.33Å; R129-D131 IonicContact NE-OD2 2.71Å; R129-D131 IonicContact NH2-OD1 2.79Å; R129-D131 PolarHBondContact NH2-OD1 3.36Å; R129-D131 IonicContact NH2-OD2 2.78Å; R129-D131 PolarHBondContact NH2-OD2 3.31Å; R129-L132 HydrophobicContact CB-CB 4.2Å; R129-L132 HydrophobicContact CB-CD1 4.02Å; R129-L132 HydrophobicContact CB-CG 3.88Å; R129-L132 HydrophobicContact CG-CD1 4.44Å; R129-L132 PolarHBondContact O-N 2.81Å; R129-Y133 PolarHBondContact O-N 2.78Å; R129-I154 PolarHBondContact N-O 2.93Å; R129-I154 PolarHBondContact O-N 2.8Å
130	H	96.1	Very high	90.9	Very high	86 Å²	86	66.8 Å²	66.8	40%	0.398	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-40.2	177.9	-168.4	-33.3	0	0	0	112.3	L132 Y133 E134 E152	H130-L132 PolarHBondContact O-N 2.94Å; H130-Y133 WeakPolarHBondContact O-CB 3.35Å; H130-Y133 PolarHBondContact O-N 2.79Å; H130-Y133 VanDerWaalsContact O-N 3.13Å; H130-E134 IonicContact CE1-OE1 3.99Å; H130-E134 PolarHBondContact CE1-OE1 3.46Å; H130-E134 WeakPolarHBondContact ND1-CG 3.41Å; H130-E134 IonicContact ND1-OE1 3.23Å; H130-E134 PolarHBondContact ND1-OE1 2.94Å; H130-E134 PolarHBondContact O-N 3.33Å; H130-E152 WeakPolarHBondContact CA-O 3.39Å; H130-E152 PolarHBondContact ND1-O 2.85Å; H130-E152 IonicContact NE2-OE2 2.8Å
131	D	94.1	Very high	91.2	Very high	46 Å²	46	69.1 Å²	69.1	25%	0.246	36%	0.36	C	S	.	.	H	α-helix	trans	-64.9	-26.4	-179.2	78.1	-67.1	0	0	0	113	R129 K135	R129-D131 IonicContact CZ-OD1 2.67Å; R129-D131 VanDerWaalsContact CZ-OD1 3.23Å; R129-D131 IonicContact CZ-OD2 2.86Å; R129-D131 IonicContact NE-OD1 2.89Å; R129-D131 PolarHBondContact NE-OD1 3.33Å; R129-D131 IonicContact NE-OD2 2.71Å; R129-D131 IonicContact NH2-OD1 2.79Å; R129-D131 PolarHBondContact NH2-OD1 3.36Å; R129-D131 IonicContact NH2-OD2 2.78Å; R129-D131 PolarHBondContact NH2-OD2 3.31Å; D131-K135 VanDerWaalsContact O-CD 3.29Å; D131-K135 WeakPolarHBondContact O-CD 3.48Å; D131-K135 WeakPolarHBondContact O-CG 3.44Å; D131-K135 PolarHBondContact O-N 3.27Å; D131-K135 IonicContact OD2-NZ 3.39Å; D131-K135 PolarHBondContact OD2-NZ 3.28Å
132	L	94.3	Very high	91.6	Very high	10 Å²	10	71.4 Å²	71.4	5%	0.052	36%	0.364	C	S	.	.	H	α-helix	trans	-78.1	-36.5	175.9	-63.3	-173.2	0	0	0	111.9	R129 H130 K135 M136 I154 K156 Y159	R129-L132 HydrophobicContact CB-CB 4.2Å; R129-L132 HydrophobicContact CB-CD1 4.02Å; R129-L132 HydrophobicContact CB-CG 3.88Å; R129-L132 HydrophobicContact CG-CD1 4.44Å; R129-L132 PolarHBondContact O-N 2.81Å; H130-L132 PolarHBondContact O-N 2.94Å; L132-K135 HydrophobicContact CD2-CD 4.36Å; L132-K135 PolarHBondContact O-N 2.89Å; L132-M136 PolarHBondContact O-N 3.32Å; L132-I154 HydrophobicContact CB-CD1 4.13Å; L132-I154 HydrophobicContact CB-CG1 3.8Å; L132-K156 HydrophobicContact CD1-CB 4.01Å; L132-K156 HydrophobicContact CD1-CG 4.13Å; L132-Y159 HydrophobicContact CB-CD2 4.26Å; L132-Y159 HydrophobicContact CB-CG 4.07Å; L132-Y159 HydrophobicContact CD1-CD1 4.43Å; L132-Y159 HydrophobicContact CD1-CG 4.38Å; L132-Y159 HydrophobicContact CD2-CD1 3.81Å; L132-Y159 HydrophobicContact CD2-CE1 4.03Å; L132-Y159 HydrophobicContact CD2-CG 4.13Å; L132-Y159 HydrophobicContact CG-CG 4.43Å; L132-Y159 WeakPolarHBondContact O-CD2 3.35Å
133	Y	97.2	Very high	92.1	Very high	23 Å²	23	71.7 Å²	71.7	9%	0.09	37%	0.366	C	S	.	.	H	α-helix	trans	-62	-49.5	173.9	163.9	-101.6	0	0	0	110.5	R129 H130 K135 M136 V137 P144 H149 E152 I154	R129-Y133 PolarHBondContact O-N 2.78Å; H130-Y133 WeakPolarHBondContact O-CB 3.35Å; H130-Y133 PolarHBondContact O-N 2.79Å; H130-Y133 VanDerWaalsContact O-N 3.13Å; Y133-K135 VanDerWaalsContact C-N 3.29Å; Y133-K135 PolarHBondContact O-N 3.1Å; Y133-M136 WeakPolarHBondContact O-CA 3.38Å; Y133-M136 WeakPolarHBondContact O-CB 3.38Å; Y133-M136 PolarHBondContact O-N 2.68Å; Y133-V137 HydrophobicContact CD2-CG2 4.01Å; Y133-V137 HydrophobicContact CE1-CG2 4.11Å; Y133-V137 HydrophobicContact CE2-CG2 3.55Å; Y133-V137 HydrophobicContact CG-CG2 4.47Å; Y133-V137 WeakPolarHBondContact O-CG2 3.39Å; Y133-V137 PolarHBondContact O-N 2.79Å; Y133-P144 HydrophobicContact CD2-CB 4.19Å; Y133-P144 HydrophobicContact CD2-CG 4.09Å; Y133-P144 HydrophobicContact CE2-CB 3.91Å; Y133-P144 HydrophobicContact CE2-CG 3.82Å; Y133-H149 AromaticContact CE2-ND1 3.62Å; Y133-H149 AromaticContact CZ-ND1 3.69Å; Y133-H149 PolarHBondContact OH-ND1 3.32Å; Y133-E152 WeakPolarHBondContact CB-O 3.4Å; Y133-E152 VanDerWaalsContact CD1-C 3.42Å; Y133-E152 HydrophobicContact CD1-CB 3.86Å; Y133-E152 VanDerWaalsContact CD1-O 3.24Å; Y133-E152 WeakPolarHBondContact CD1-O 3.48Å; Y133-E152 HydrophobicContact CE1-CB 3.67Å; Y133-E152 HydrophobicContact CE1-CG 3.9Å; Y133-E152 VanDerWaalsContact CG-C 3.45Å; Y133-I154 HydrophobicContact CD2-CG2 4.28Å
134	E	96.6	Very high	92.7	Very high	104 Å²	104	70.1 Å²	70.1	49%	0.486	36%	0.356	S	S	.	.	H	α-helix	trans	-55.8	-45.5	176.4	-69	175.2	165.2	0	0	111.6	H130 M136 V137 V138	H130-E134 IonicContact CE1-OE1 3.99Å; H130-E134 PolarHBondContact CE1-OE1 3.46Å; H130-E134 WeakPolarHBondContact ND1-CG 3.41Å; H130-E134 IonicContact ND1-OE1 3.23Å; H130-E134 PolarHBondContact ND1-OE1 2.94Å; H130-E134 PolarHBondContact O-N 3.33Å; E134-M136 VanDerWaalsContact C-N 3.29Å; E134-M136 PolarHBondContact O-N 3.22Å; E134-V137 PolarHBondContact O-N 3.22Å; E134-V138 VanDerWaalsContact O-CG2 3.28Å; E134-V138 WeakPolarHBondContact O-CG2 3.33Å; E134-V138 PolarHBondContact O-N 2.85Å
135	K	93.2	Very high	93.7	Very high	79 Å²	79	64 Å²	64	34%	0.343	34%	0.335	S	S	.	.	H	α-helix	trans	-62.3	-35.2	176.8	-74.9	166.4	-172.9	157.3	0	112.7	D131 L132 Y133 I139 Y159	D131-K135 VanDerWaalsContact O-CD 3.29Å; D131-K135 WeakPolarHBondContact O-CD 3.48Å; D131-K135 WeakPolarHBondContact O-CG 3.44Å; D131-K135 PolarHBondContact O-N 3.27Å; D131-K135 IonicContact OD2-NZ 3.39Å; D131-K135 PolarHBondContact OD2-NZ 3.28Å; L132-K135 HydrophobicContact CD2-CD 4.36Å; L132-K135 PolarHBondContact O-N 2.89Å; Y133-K135 VanDerWaalsContact C-N 3.29Å; Y133-K135 PolarHBondContact O-N 3.1Å; K135-I139 VanDerWaalsContact O-CD1 3.31Å; K135-I139 WeakPolarHBondContact O-CD1 3.38Å; K135-I139 WeakPolarHBondContact O-CG1 3.27Å; K135-Y159 HydrophobicContact CB-CE2 3.71Å
136	M	94.9	Very high	94.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-68.2	-50.7	176.2	176.7	179.2	-84.6	0	0	110.8	L132 Y133 E134 V138 I139 D140 E143 P144 I154 R158 Y159 F162	L132-M136 PolarHBondContact O-N 3.32Å; Y133-M136 WeakPolarHBondContact O-CA 3.38Å; Y133-M136 WeakPolarHBondContact O-CB 3.38Å; Y133-M136 PolarHBondContact O-N 2.68Å; E134-M136 VanDerWaalsContact C-N 3.29Å; E134-M136 PolarHBondContact O-N 3.22Å; M136-V138 VanDerWaalsContact C-N 3.28Å; M136-V138 PolarHBondContact O-N 2.74Å; M136-I139 WeakPolarHBondContact O-CA 3.3Å; M136-I139 WeakPolarHBondContact O-CB 3.14Å; M136-I139 PolarHBondContact O-N 3.28Å; M136-D140 PolarHBondContact O-N 3Å; M136-E143 HydrophobicContact CE-CG 3.93Å; M136-E143 HydrophobicContact CG-CB 4.1Å; M136-E143 HydrophobicContact CG-CG 3.8Å; M136-E143 HydrophobicContact SD-CB 4.29Å; M136-E143 HydrophobicContact SD-CG 3.6Å; M136-E143 VanDerWaalsContact SD-CG 3.6Å; M136-P144 HydrophobicContact CG-CG 4.13Å; M136-P144 HydrophobicContact SD-CB 4.3Å; M136-P144 HydrophobicContact SD-CG 3.81Å; M136-I154 HydrophobicContact CB-CD1 3.97Å; M136-I154 HydrophobicContact CE-CD1 3.44Å; M136-I154 VanDerWaalsContact CE-CD1 3.44Å; M136-I154 HydrophobicContact CG-CD1 4.48Å; M136-I154 HydrophobicContact SD-CD1 3.67Å; M136-I154 HydrophobicContact SD-CG2 4.49Å; M136-R158 HydrophobicContact CE-CG 4.34Å; M136-Y159 HydrophobicContact CB-CD2 4.23Å; M136-Y159 HydrophobicContact CB-CE2 4.45Å; M136-F162 HydrophobicContact CB-CD1 4.33Å; M136-F162 HydrophobicContact CB-CE1 4.13Å; M136-F162 HydrophobicContact CE-CB 3.52Å; M136-F162 HydrophobicContact CE-CD1 3.71Å; M136-F162 HydrophobicContact CE-CD2 4.39Å; M136-F162 HydrophobicContact CE-CE1 4.49Å; M136-F162 HydrophobicContact CE-CG 3.62Å; M136-F162 HydrophobicContact CG-CD1 3.92Å; M136-F162 HydrophobicContact CG-CE1 3.76Å; M136-F162 HydrophobicContact CG-CG 4.41Å; M136-F162 HydrophobicContact CG-CZ 4.11Å
137	V	95.8	Very high	94.9	Very high	40 Å²	40	65 Å²	65	24%	0.242	34%	0.34	C	S	.	.	H	α-helix	trans	-58.6	-38.8	179.7	171.7	0	0	0	0	111.9	Y133 E134 I139 D140 P141 P144	Y133-V137 HydrophobicContact CD2-CG2 4.01Å; Y133-V137 HydrophobicContact CE1-CG2 4.11Å; Y133-V137 HydrophobicContact CE2-CG2 3.55Å; Y133-V137 HydrophobicContact CG-CG2 4.47Å; Y133-V137 WeakPolarHBondContact O-CG2 3.39Å; Y133-V137 PolarHBondContact O-N 2.79Å; E134-V137 PolarHBondContact O-N 3.22Å; V137-I139 PolarHBondContact O-N 3.03Å; V137-D140 CarbonylContact O-C 3.54Å; V137-P141 HydrophobicContact CG1-CB 4.36Å; V137-P141 WeakPolarHBondContact O-CD 3.44Å; V137-P141 WeakPolarHBondContact O-CG 3.2Å; V137-P144 HydrophobicContact CG2-CG 3.78Å
138	V	93.3	Very high	95.1	Very high	116 Å²	116	60.8 Å²	60.8	70%	0.703	32%	0.318	S	S	*	.	H	α-helix	trans	-61.2	-28.9	175.1	168.2	0	0	0	0	112.5	E134 M136	E134-V138 VanDerWaalsContact O-CG2 3.28Å; E134-V138 WeakPolarHBondContact O-CG2 3.33Å; E134-V138 PolarHBondContact O-N 2.85Å; M136-V138 VanDerWaalsContact C-N 3.28Å; M136-V138 PolarHBondContact O-N 2.74Å
139	I	90.2	Very high	95.4	Very high	18 Å²	18	59.9 Å²	59.9	9%	0.092	32%	0.315	C	S	.	.	H	α-helix	trans	-87.9	-49.3	180	-62.1	163.6	0	0	0	110.6	K135 M136 V137 F162 K191	K135-I139 VanDerWaalsContact O-CD1 3.31Å; K135-I139 WeakPolarHBondContact O-CD1 3.38Å; K135-I139 WeakPolarHBondContact O-CG1 3.27Å; M136-I139 WeakPolarHBondContact O-CA 3.3Å; M136-I139 WeakPolarHBondContact O-CB 3.14Å; M136-I139 PolarHBondContact O-N 3.28Å; V137-I139 PolarHBondContact O-N 3.03Å; I139-F162 HydrophobicContact CB-CE1 3.99Å; I139-F162 HydrophobicContact CB-CZ 3.82Å; I139-F162 HydrophobicContact CD1-CE1 3.85Å; I139-F162 HydrophobicContact CD1-CZ 4.49Å; I139-F162 HydrophobicContact CG2-CE1 4.06Å; I139-F162 HydrophobicContact CG2-CZ 3.61Å; I139-K191 HydrophobicContact CD1-CD 3.71Å; I139-K191 HydrophobicContact CG1-CD 3.7Å
140	D	92.9	Very high	95.5	Very high	39 Å²	39	61.1 Å²	61.1	21%	0.209	33%	0.333	C	S	.	.			trans	-146	106.2	176.4	-171.2	-13.5	0	0	0	109.9	M136 V137 N142 E143 F162	M136-D140 PolarHBondContact O-N 3Å; V137-D140 CarbonylContact O-C 3.54Å; D140-N142 PolarHBondContact O-N 3.39Å; D140-N142 PolarHBondContact OD1-N 2.75Å; D140-E143 HydrophobicContact CB-CB 3.92Å; D140-E143 WeakPolarHBondContact O-CB 3.29Å; D140-E143 PolarHBondContact O-N 3.2Å; D140-F162 HydrophobicContact CB-CE2 4.26Å; D140-F162 HydrophobicContact CB-CZ 4.14Å
141	P	95.1	Very high	95.5	Very high	74 Å²	74	61.9 Å²	61.9	48%	0.481	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.9	179.2	-22.9	32.7	0	0	0	114.9	V137 H149	V137-P141 HydrophobicContact CG1-CB 4.36Å; V137-P141 WeakPolarHBondContact O-CD 3.44Å; V137-P141 WeakPolarHBondContact O-CG 3.2Å; P141-H149 PolarHBondContact O-CE1 2.69Å; P141-H149 PolarHBondContact O-NE2 3.37Å
142	N	95.5	Very high	95.7	Very high	144 Å²	144	64.4 Å²	64.4	77%	0.77	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-1.5	-177.6	-55.5	-63.4	0	0	0	113.1	D140	D140-N142 PolarHBondContact O-N 3.39Å; D140-N142 PolarHBondContact OD1-N 2.75Å
143	E	95.8	Very high	95.8	Very high	34 Å²	34	64.5 Å²	64.5	16%	0.159	35%	0.35	C	S	.	.	S	Bend	trans	-71.6	-42.3	-179.5	172.6	68.4	-162.4	0	0	114.2	M136 D140 R158 F162 R165	M136-E143 HydrophobicContact CE-CG 3.93Å; M136-E143 HydrophobicContact CG-CB 4.1Å; M136-E143 HydrophobicContact CG-CG 3.8Å; M136-E143 HydrophobicContact SD-CB 4.29Å; M136-E143 HydrophobicContact SD-CG 3.6Å; M136-E143 VanDerWaalsContact SD-CG 3.6Å; D140-E143 HydrophobicContact CB-CB 3.92Å; D140-E143 WeakPolarHBondContact O-CB 3.29Å; D140-E143 PolarHBondContact O-N 3.2Å; E143-R158 PolarHBondContact O-NH2 2.91Å; E143-R158 VanDerWaalsContact O-NH2 3.07Å; E143-R158 IonicContact OE1-CZ 3.28Å; E143-R158 IonicContact OE1-NH1 2.68Å; E143-R158 PolarHBondContact OE1-NH1 3.08Å; E143-R158 IonicContact OE1-NH2 2.79Å; E143-R158 PolarHBondContact OE1-NH2 2.93Å; E143-F162 HydrophobicContact CB-CD2 4.35Å; E143-F162 HydrophobicContact CB-CE2 3.91Å; E143-F162 HydrophobicContact CB-CZ 4.42Å; E143-F162 VanDerWaalsContact CD-CD2 3.41Å; E143-F162 HydrophobicContact CG-CD2 3.4Å; E143-F162 VanDerWaalsContact CG-CD2 3.4Å; E143-F162 HydrophobicContact CG-CE2 3.45Å; E143-F162 VanDerWaalsContact CG-CE2 3.45Å; E143-F162 HydrophobicContact CG-CG 4.05Å; E143-F162 HydrophobicContact CG-CZ 4.18Å; E143-R165 IonicContact OE1-CZ 2.95Å; E143-R165 IonicContact OE1-NH1 3.42Å; E143-R165 IonicContact OE1-NH2 3.6Å; E143-R165 PolarHBondContact OE1-NH2 3.15Å; E143-R165 IonicContact OE2-CZ 3.7Å; E143-R165 IonicContact OE2-NH2 2.63Å; E143-R165 PolarHBondContact OE2-NH2 2.84Å
144	P	97.1	Very high	95.7	Very high	8 Å²	8	63.4 Å²	63.4	5%	0.052	35%	0.346	C	S	.	.	S	Bend	trans	-63.7	146.9	179.7	-17.6	30.1	0	0	0	111.6	Y133 M136 V137 E148 H149	Y133-P144 HydrophobicContact CD2-CB 4.19Å; Y133-P144 HydrophobicContact CD2-CG 4.09Å; Y133-P144 HydrophobicContact CE2-CB 3.91Å; Y133-P144 HydrophobicContact CE2-CG 3.82Å; M136-P144 HydrophobicContact CG-CG 4.13Å; M136-P144 HydrophobicContact SD-CB 4.3Å; M136-P144 HydrophobicContact SD-CG 3.81Å; V137-P144 HydrophobicContact CG2-CG 3.78Å; P144-E148 WeakPolarHBondContact CA-OE2 3.4Å; P144-E148 HydrophobicContact CB-CB 3.9Å; P144-H149 PolarHBondContact O-CD2 2.88Å
145	T	97	Very high	95.6	Very high	59 Å²	59	60 Å²	60	36%	0.362	33%	0.332	S	S	.	.			trans	-70.6	167.5	172.1	79.9	0	0	0	0	111.4	E147 E148 H149	T145-E147 VanDerWaalsContact CB-OE2 3.28Å; T145-E147 WeakPolarHBondContact CB-OE2 3.34Å; T145-E147 PolarHBondContact O-N 2.97Å; T145-E147 PolarHBondContact OG1-N 3.21Å; T145-E147 PolarHBondContact OG1-OE2 3.36Å; T145-E148 PolarHBondContact N-OE2 3.38Å; T145-E148 PolarHBondContact O-N 2.89Å; T145-E148 VanDerWaalsContact O-N 3.13Å; T145-E148 WeakPolarHBondContact OG1-CG 3.34Å; T145-E148 PolarHBondContact OG1-N 2.99Å; T145-H149 PolarHBondContact O-CD2 3.31Å; T145-H149 PolarHBondContact O-N 2.91Å
146	A	97.2	Very high	95.4	Very high	71 Å²	71	59.4 Å²	59.4	59%	0.587	33%	0.329	S	S	*	.	H	α-helix	trans	-58.8	-37.2	175.8	0	0	0	0	0	112.2	T150	A146-T150 WeakPolarHBondContact O-CB 3.32Å; A146-T150 PolarHBondContact O-N 3.19Å; A146-T150 PolarHBondContact O-OG1 3.3Å
147	E	96.6	Very high	95.2	Very high	120 Å²	120	60.5 Å²	60.5	56%	0.561	34%	0.335	S	S	*	.	H	α-helix	trans	-66.8	-44.1	174.3	-56.5	78.9	-170.2	0	0	111.3	T145 H149 T150 E151	T145-E147 VanDerWaalsContact CB-OE2 3.28Å; T145-E147 WeakPolarHBondContact CB-OE2 3.34Å; T145-E147 PolarHBondContact O-N 2.97Å; T145-E147 PolarHBondContact OG1-N 3.21Å; T145-E147 PolarHBondContact OG1-OE2 3.36Å; E147-H149 VanDerWaalsContact C-N 3.32Å; E147-H149 PolarHBondContact O-N 3.3Å; E147-T150 WeakPolarHBondContact O-CB 3.41Å; E147-T150 PolarHBondContact O-N 3.44Å; E147-T150 VanDerWaalsContact O-N 3.13Å; E147-E151 PolarHBondContact O-N 2.88Å
148	E	97.2	Very high	95.1	Very high	24 Å²	24	60.9 Å²	60.9	11%	0.112	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-35.9	178	-67.9	177.5	148.4	0	0	112.3	P144 T145 E152 A153 I154 R158	P144-E148 WeakPolarHBondContact CA-OE2 3.4Å; P144-E148 HydrophobicContact CB-CB 3.9Å; T145-E148 PolarHBondContact N-OE2 3.38Å; T145-E148 PolarHBondContact O-N 2.89Å; T145-E148 VanDerWaalsContact O-N 3.13Å; T145-E148 WeakPolarHBondContact OG1-CG 3.34Å; T145-E148 PolarHBondContact OG1-N 2.99Å; E148-E152 WeakPolarHBondContact O-CA 3.23Å; E148-E152 PolarHBondContact O-N 3.46Å; E148-A153 PolarHBondContact O-N 3.26Å; E148-I154 HydrophobicContact CB-CG2 3.77Å; E148-I154 VanDerWaalsContact CD-CG2 3.47Å; E148-I154 HydrophobicContact CG-CG2 3.71Å; E148-R158 WeakPolarHBondContact OE1-CG 3.15Å; E148-R158 IonicContact OE1-NE 3.5Å; E148-R158 PolarHBondContact OE1-NE 3.49Å; E148-R158 IonicContact OE2-NE 3.22Å; E148-R158 IonicContact OE2-NH2 3.45Å
149	H	97.9	Very high	95.1	Very high	68 Å²	68	56.5 Å²	56.5	32%	0.315	30%	0.303	S	S	.	.	H	α-helix	trans	-66.2	-40.3	170.6	-82	-58.3	0	0	0	112.6	Y133 P141 P144 T145 E147 E151 E152	Y133-H149 AromaticContact CE2-ND1 3.62Å; Y133-H149 AromaticContact CZ-ND1 3.69Å; Y133-H149 PolarHBondContact OH-ND1 3.32Å; P141-H149 PolarHBondContact O-CE1 2.69Å; P141-H149 PolarHBondContact O-NE2 3.37Å; P144-H149 PolarHBondContact O-CD2 2.88Å; T145-H149 PolarHBondContact O-CD2 3.31Å; T145-H149 PolarHBondContact O-N 2.91Å; E147-H149 VanDerWaalsContact C-N 3.32Å; E147-H149 PolarHBondContact O-N 3.3Å; H149-E151 VanDerWaalsContact C-N 3.34Å; H149-E152 WeakPolarHBondContact O-CG 3.36Å; H149-E152 PolarHBondContact O-N 3.02Å
150	T	97.2	Very high	95.1	Very high	121 Å²	121	56.9 Å²	56.9	74%	0.742	31%	0.305	S	S	*	.	H	α-helix	trans	-66.2	-39	179.6	-59	0	0	0	0	111.5	A146 E147	A146-T150 WeakPolarHBondContact O-CB 3.32Å; A146-T150 PolarHBondContact O-N 3.19Å; A146-T150 PolarHBondContact O-OG1 3.3Å; E147-T150 WeakPolarHBondContact O-CB 3.41Å; E147-T150 PolarHBondContact O-N 3.44Å; E147-T150 VanDerWaalsContact O-N 3.13Å
151	E	96.5	Very high	95	Very high	102 Å²	102	58.8 Å²	58.8	48%	0.477	31%	0.313	S	S	.	.	H	α-helix	trans	-86	-13.3	179.4	-67.3	-176.3	-141.3	0	0	113.8	K128 E147 H149 A153	K128-E151 WeakPolarHBondContact CD-OE2 3.48Å; K128-E151 WeakPolarHBondContact CE-OE2 3.25Å; K128-E151 IonicContact NZ-OE1 2.7Å; K128-E151 PolarHBondContact NZ-OE1 3.44Å; K128-E151 IonicContact NZ-OE2 2.76Å; K128-E151 PolarHBondContact NZ-OE2 2.81Å; E147-E151 PolarHBondContact O-N 2.88Å; H149-E151 VanDerWaalsContact C-N 3.34Å; E151-A153 PolarHBondContact O-N 2.93Å; E151-A153 VanDerWaalsContact O-N 3.12Å
152	E	97.7	Very high	94.9	Very high	98 Å²	98	55.3 Å²	55.3	46%	0.458	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	32.8	-172.4	-59.3	-171.7	134.6	0	0	113.1	H130 Y133 E148 H149	H130-E152 WeakPolarHBondContact CA-O 3.39Å; H130-E152 PolarHBondContact ND1-O 2.85Å; H130-E152 IonicContact NE2-OE2 2.8Å; Y133-E152 WeakPolarHBondContact CB-O 3.4Å; Y133-E152 VanDerWaalsContact CD1-C 3.42Å; Y133-E152 HydrophobicContact CD1-CB 3.86Å; Y133-E152 VanDerWaalsContact CD1-O 3.24Å; Y133-E152 WeakPolarHBondContact CD1-O 3.48Å; Y133-E152 HydrophobicContact CE1-CB 3.67Å; Y133-E152 HydrophobicContact CE1-CG 3.9Å; Y133-E152 VanDerWaalsContact CG-C 3.45Å; E148-E152 WeakPolarHBondContact O-CA 3.23Å; E148-E152 PolarHBondContact O-N 3.46Å; H149-E152 WeakPolarHBondContact O-CG 3.36Å; H149-E152 PolarHBondContact O-N 3.02Å
153	A	96.9	Very high	94.7	Very high	13 Å²	13	49.2 Å²	49.2	11%	0.107	26%	0.256	C	S	.	.			trans	-152.1	140.2	-174.7	0	0	0	0	0	111.9	K128 E148 E151	K128-A153 HydrophobicContact CB-CB 3.81Å; E148-A153 PolarHBondContact O-N 3.26Å; E151-A153 PolarHBondContact O-N 2.93Å; E151-A153 VanDerWaalsContact O-N 3.12Å
154	I	96	Very high	94.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157	177.9	64.1	179.3	0	0	0	111.2	K128 R129 L132 Y133 M136 E148 R158 Y159	K128-I154 CarbonylContact C-O 3.27Å; K128-I154 WeakPolarHBondContact CA-O 3.49Å; R129-I154 PolarHBondContact N-O 2.93Å; R129-I154 PolarHBondContact O-N 2.8Å; L132-I154 HydrophobicContact CB-CD1 4.13Å; L132-I154 HydrophobicContact CB-CG1 3.8Å; Y133-I154 HydrophobicContact CD2-CG2 4.28Å; M136-I154 HydrophobicContact CB-CD1 3.97Å; M136-I154 HydrophobicContact CE-CD1 3.44Å; M136-I154 VanDerWaalsContact CE-CD1 3.44Å; M136-I154 HydrophobicContact CG-CD1 4.48Å; M136-I154 HydrophobicContact SD-CD1 3.67Å; M136-I154 HydrophobicContact SD-CG2 4.49Å; E148-I154 HydrophobicContact CB-CG2 3.77Å; E148-I154 VanDerWaalsContact CD-CG2 3.47Å; E148-I154 HydrophobicContact CG-CG2 3.71Å; I154-R158 HydrophobicContact CB-CG 4.33Å; I154-Y159 HydrophobicContact CD1-CD2 4.01Å; I154-Y159 HydrophobicContact CD1-CG 4.34Å
155	T	93.6	Very high	94	Very high	33 Å²	33	52.7 Å²	52.7	20%	0.202	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	156.6	174.9	68.7	0	0	0	0	111.2	K128 L157 R158 Y159	K128-T155 HydrophobicContact CG-CG2 4.01Å; T155-L157 PolarHBondContact O-N 3.5Å; T155-R158 PolarHBondContact O-N 3.45Å; T155-R158 VanDerWaalsContact OG1-CB 3.25Å; T155-R158 WeakPolarHBondContact OG1-CB 3.28Å; T155-R158 PolarHBondContact OG1-N 2.9Å; T155-Y159 PolarHBondContact O-N 3.17Å; T155-Y159 VanDerWaalsContact O-N 3.16Å
156	K	90.1	Very high	93.6	Very high	65 Å²	65	51.3 Å²	51.3	28%	0.283	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-45.8	176.4	-170.1	-178.9	-175.9	-175.1	0	111.7	E122 L132 R158 Y159 M160	E122-K156 WeakPolarHBondContact OE1-CE 3.35Å; E122-K156 IonicContact OE1-NZ 2.69Å; E122-K156 PolarHBondContact OE1-NZ 2.87Å; L132-K156 HydrophobicContact CD1-CB 4.01Å; L132-K156 HydrophobicContact CD1-CG 4.13Å; K156-R158 VanDerWaalsContact C-N 3.34Å; K156-R158 PolarHBondContact O-N 3.26Å; K156-Y159 PolarHBondContact O-N 3.1Å; K156-M160 HydrophobicContact CG-CG 4.34Å; K156-M160 VanDerWaalsContact O-CG 3.27Å; K156-M160 WeakPolarHBondContact O-CG 3.46Å; K156-M160 PolarHBondContact O-N 3.1Å
157	L	90.1	Very high	93.3	Very high	24 Å²	24	48 Å²	48	13%	0.126	23%	0.23	C	C	.	.	H	α-helix	trans	-56.5	-48.8	178.7	-179.8	70.5	0	0	0	111.5	F118 V123 T155 Y159 M160 Q161	F118-L157 HydrophobicContact CB-CD1 4.44Å; F118-L157 HydrophobicContact CD1-CD1 3.87Å; F118-L157 HydrophobicContact CD2-CD1 3.42Å; F118-L157 VanDerWaalsContact CD2-CD1 3.42Å; F118-L157 HydrophobicContact CE1-CD1 3.91Å; F118-L157 HydrophobicContact CE2-CD1 3.5Å; F118-L157 VanDerWaalsContact CE2-CD1 3.5Å; F118-L157 HydrophobicContact CG-CD1 3.63Å; F118-L157 HydrophobicContact CZ-CD1 3.74Å; V123-L157 HydrophobicContact CB-CD2 4.33Å; V123-L157 HydrophobicContact CG1-CD2 3.97Å; V123-L157 HydrophobicContact CG2-CD1 4.15Å; V123-L157 WeakPolarHBondContact O-CD2 3.39Å; T155-L157 PolarHBondContact O-N 3.5Å; L157-Y159 VanDerWaalsContact C-N 3.3Å; L157-Y159 PolarHBondContact O-N 3.32Å; L157-M160 PolarHBondContact O-N 3.45Å; L157-M160 VanDerWaalsContact O-N 3.11Å; L157-Q161 HydrophobicContact CD1-CG 4.35Å; L157-Q161 HydrophobicContact CG-CG 4.4Å; L157-Q161 WeakPolarHBondContact O-CG 3.37Å; L157-Q161 PolarHBondContact O-N 3.47Å
158	R	93.8	Very high	93.3	Very high	48 Å²	48	42.4 Å²	42.4	18%	0.181	20%	0.203	C	C	.	.	H	α-helix	trans	-55.7	-45	179.1	173.1	67.7	-179.7	102.3	-3.5	112.2	M136 E143 E148 I154 T155 K156 F162	M136-R158 HydrophobicContact CE-CG 4.34Å; E143-R158 PolarHBondContact O-NH2 2.91Å; E143-R158 VanDerWaalsContact O-NH2 3.07Å; E143-R158 IonicContact OE1-CZ 3.28Å; E143-R158 IonicContact OE1-NH1 2.68Å; E143-R158 PolarHBondContact OE1-NH1 3.08Å; E143-R158 IonicContact OE1-NH2 2.79Å; E143-R158 PolarHBondContact OE1-NH2 2.93Å; E148-R158 WeakPolarHBondContact OE1-CG 3.15Å; E148-R158 IonicContact OE1-NE 3.5Å; E148-R158 PolarHBondContact OE1-NE 3.49Å; E148-R158 IonicContact OE2-NE 3.22Å; E148-R158 IonicContact OE2-NH2 3.45Å; I154-R158 HydrophobicContact CB-CG 4.33Å; T155-R158 PolarHBondContact O-N 3.45Å; T155-R158 VanDerWaalsContact OG1-CB 3.25Å; T155-R158 WeakPolarHBondContact OG1-CB 3.28Å; T155-R158 PolarHBondContact OG1-N 2.9Å; K156-R158 VanDerWaalsContact C-N 3.34Å; K156-R158 PolarHBondContact O-N 3.26Å; R158-F162 WeakPolarHBondContact O-CB 3.31Å; R158-F162 PolarHBondContact O-N 2.54Å; R158-F162 VanDerWaalsContact O-N 3.11Å
159	Y	93.6	Very high	93.2	Very high	24 Å²	24	41.2 Å²	41.2	9%	0.094	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-43.8	175.9	178.2	-102.9	0	0	0	112.3	L132 K135 M136 I154 T155 K156 L157 F162 R163	L132-Y159 HydrophobicContact CB-CD2 4.26Å; L132-Y159 HydrophobicContact CB-CG 4.07Å; L132-Y159 HydrophobicContact CD1-CD1 4.43Å; L132-Y159 HydrophobicContact CD1-CG 4.38Å; L132-Y159 HydrophobicContact CD2-CD1 3.81Å; L132-Y159 HydrophobicContact CD2-CE1 4.03Å; L132-Y159 HydrophobicContact CD2-CG 4.13Å; L132-Y159 HydrophobicContact CG-CG 4.43Å; L132-Y159 WeakPolarHBondContact O-CD2 3.35Å; K135-Y159 HydrophobicContact CB-CE2 3.71Å; M136-Y159 HydrophobicContact CB-CD2 4.23Å; M136-Y159 HydrophobicContact CB-CE2 4.45Å; I154-Y159 HydrophobicContact CD1-CD2 4.01Å; I154-Y159 HydrophobicContact CD1-CG 4.34Å; T155-Y159 PolarHBondContact O-N 3.17Å; T155-Y159 VanDerWaalsContact O-N 3.16Å; K156-Y159 PolarHBondContact O-N 3.1Å; L157-Y159 VanDerWaalsContact C-N 3.3Å; L157-Y159 PolarHBondContact O-N 3.32Å; Y159-F162 HydrophobicContact CD2-CD1 4.44Å; Y159-F162 WeakPolarHBondContact O-CB 3.33Å; Y159-F162 PolarHBondContact O-N 2.99Å; Y159-R163 HydrophobicContact CD1-CG 4.08Å; Y159-R163 HydrophobicContact CD2-CG 4.42Å; Y159-R163 HydrophobicContact CE1-CG 3.61Å; Y159-R163 HydrophobicContact CE2-CG 3.96Å; Y159-R163 HydrophobicContact CG-CG 4.48Å; Y159-R163 WeakPolarHBondContact O-CG 3.4Å; Y159-R163 PolarHBondContact O-N 2.98Å
160	M	89.8	Confident	92.8	Very high	25 Å²	25	41 Å²	41	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-45.1	179.7	-63.4	-54.3	-60.6	0	0	111	T117 F118 K156 L157 F162 R163 E164	T117-M160 WeakPolarHBondContact O-CE 3.47Å; T117-M160 WeakPolarHBondContact OG1-CE 3.46Å; F118-M160 HydrophobicContact CB-CB 4.44Å; F118-M160 HydrophobicContact CB-CG 4.38Å; F118-M160 HydrophobicContact CD1-CB 3.99Å; K156-M160 HydrophobicContact CG-CG 4.34Å; K156-M160 VanDerWaalsContact O-CG 3.27Å; K156-M160 WeakPolarHBondContact O-CG 3.46Å; K156-M160 PolarHBondContact O-N 3.1Å; L157-M160 PolarHBondContact O-N 3.45Å; L157-M160 VanDerWaalsContact O-N 3.11Å; M160-F162 VanDerWaalsContact C-N 3.34Å; M160-F162 PolarHBondContact O-N 2.73Å; M160-R163 WeakPolarHBondContact O-CB 3.31Å; M160-R163 PolarHBondContact O-N 2.66Å; M160-R163 VanDerWaalsContact O-N 3.17Å; M160-E164 WeakPolarHBondContact O-CB 3.43Å; M160-E164 WeakPolarHBondContact O-CG 3.48Å; M160-E164 PolarHBondContact O-N 3.47Å
161	Q	90.2	Very high	92.7	Very high	80 Å²	80	40.1 Å²	40.1	37%	0.374	20%	0.195	S	C	.	.	H	α-helix	trans	-61.8	-39.9	177.1	-71.4	175.6	-30.5	0	0	112.5	F118 L157 E164 R165	F118-Q161 HydrophobicContact CE1-CG 4.07Å; L157-Q161 HydrophobicContact CD1-CG 4.35Å; L157-Q161 HydrophobicContact CG-CG 4.4Å; L157-Q161 WeakPolarHBondContact O-CG 3.37Å; L157-Q161 PolarHBondContact O-N 3.47Å; Q161-E164 PolarHBondContact O-N 2.74Å; Q161-R165 PolarHBondContact O-N 2.76Å; Q161-R165 VanDerWaalsContact O-N 3.1Å
162	F	93.3	Very high	92.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-49.8	171.9	163.3	-112.4	0	0	0	111.8	M136 I139 D140 E143 R158 Y159 M160 E164 R165 E166	M136-F162 HydrophobicContact CB-CD1 4.33Å; M136-F162 HydrophobicContact CB-CE1 4.13Å; M136-F162 HydrophobicContact CE-CB 3.52Å; M136-F162 HydrophobicContact CE-CD1 3.71Å; M136-F162 HydrophobicContact CE-CD2 4.39Å; M136-F162 HydrophobicContact CE-CE1 4.49Å; M136-F162 HydrophobicContact CE-CG 3.62Å; M136-F162 HydrophobicContact CG-CD1 3.92Å; M136-F162 HydrophobicContact CG-CE1 3.76Å; M136-F162 HydrophobicContact CG-CG 4.41Å; M136-F162 HydrophobicContact CG-CZ 4.11Å; I139-F162 HydrophobicContact CB-CE1 3.99Å; I139-F162 HydrophobicContact CB-CZ 3.82Å; I139-F162 HydrophobicContact CD1-CE1 3.85Å; I139-F162 HydrophobicContact CD1-CZ 4.49Å; I139-F162 HydrophobicContact CG2-CE1 4.06Å; I139-F162 HydrophobicContact CG2-CZ 3.61Å; D140-F162 HydrophobicContact CB-CE2 4.26Å; D140-F162 HydrophobicContact CB-CZ 4.14Å; E143-F162 HydrophobicContact CB-CD2 4.35Å; E143-F162 HydrophobicContact CB-CE2 3.91Å; E143-F162 HydrophobicContact CB-CZ 4.42Å; E143-F162 VanDerWaalsContact CD-CD2 3.41Å; E143-F162 HydrophobicContact CG-CD2 3.4Å; E143-F162 VanDerWaalsContact CG-CD2 3.4Å; E143-F162 HydrophobicContact CG-CE2 3.45Å; E143-F162 VanDerWaalsContact CG-CE2 3.45Å; E143-F162 HydrophobicContact CG-CG 4.05Å; E143-F162 HydrophobicContact CG-CZ 4.18Å; R158-F162 WeakPolarHBondContact O-CB 3.31Å; R158-F162 PolarHBondContact O-N 2.54Å; R158-F162 VanDerWaalsContact O-N 3.11Å; Y159-F162 HydrophobicContact CD2-CD1 4.44Å; Y159-F162 WeakPolarHBondContact O-CB 3.33Å; Y159-F162 PolarHBondContact O-N 2.99Å; M160-F162 VanDerWaalsContact C-N 3.34Å; M160-F162 PolarHBondContact O-N 2.73Å; F162-E164 VanDerWaalsContact C-N 3.27Å; F162-E164 PolarHBondContact O-N 2.8Å; F162-R165 PolarHBondContact O-N 2.87Å; F162-R165 VanDerWaalsContact O-N 3.1Å; F162-E166 HydrophobicContact CD2-CG 3.68Å; F162-E166 HydrophobicContact CE1-CG 4.47Å; F162-E166 HydrophobicContact CE2-CB 4.46Å; F162-E166 HydrophobicContact CE2-CG 3.23Å; F162-E166 HydrophobicContact CZ-CG 3.7Å; F162-E166 PolarHBondContact O-N 2.88Å
163	R	90.9	Very high	92.7	Very high	16 Å²	16	31.1 Å²	31.1	6%	0.06	15%	0.153	C	C	.	.	H	α-helix	trans	-59.1	-39.1	178.1	-76	-71.8	-63.7	142.3	1.2	112.3	Y159 M160 R165 S167 E177 K191	Y159-R163 HydrophobicContact CD1-CG 4.08Å; Y159-R163 HydrophobicContact CD2-CG 4.42Å; Y159-R163 HydrophobicContact CE1-CG 3.61Å; Y159-R163 HydrophobicContact CE2-CG 3.96Å; Y159-R163 HydrophobicContact CG-CG 4.48Å; Y159-R163 WeakPolarHBondContact O-CG 3.4Å; Y159-R163 PolarHBondContact O-N 2.98Å; M160-R163 WeakPolarHBondContact O-CB 3.31Å; M160-R163 PolarHBondContact O-N 2.66Å; M160-R163 VanDerWaalsContact O-N 3.17Å; R163-R165 VanDerWaalsContact C-N 3.33Å; R163-S167 WeakPolarHBondContact O-CB 3.46Å; R163-S167 PolarHBondContact O-N 3.48Å; R163-S167 PolarHBondContact O-OG 2.81Å; R163-E177 IonicContact NH2-OE1 3.9Å; R163-E177 PolarHBondContact NH2-OE1 3.1Å; R163-K191 VanDerWaalsContact NH1-CA 3.33Å; R163-K191 PolarHBondContact NH1-O 2.91Å
164	E	87.9	Confident	92.7	Very high	18 Å²	18	30.5 Å²	30.5	8%	0.084	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-39.9	177.3	-70.4	165.1	174.8	0	0	111.3	T117 F118 M160 Q161 F162 S167 T169 A170	T117-E164 WeakPolarHBondContact CB-OE1 3.03Å; T117-E164 PolarHBondContact N-OE1 2.78Å; T117-E164 PolarHBondContact OG1-OE1 2.88Å; F118-E164 WeakPolarHBondContact CD1-OE1 3.48Å; F118-E164 WeakPolarHBondContact CE1-OE2 3.25Å; M160-E164 WeakPolarHBondContact O-CB 3.43Å; M160-E164 WeakPolarHBondContact O-CG 3.48Å; M160-E164 PolarHBondContact O-N 3.47Å; Q161-E164 PolarHBondContact O-N 2.74Å; F162-E164 VanDerWaalsContact C-N 3.27Å; F162-E164 PolarHBondContact O-N 2.8Å; E164-S167 PolarHBondContact O-OG 2.89Å; E164-T169 HydrophobicContact CB-CG2 4.02Å; E164-T169 HydrophobicContact CG-CG2 3.66Å; E164-A170 WeakPolarHBondContact O-CB 3.47Å; E164-A170 PolarHBondContact O-N 2.88Å; E164-A170 VanDerWaalsContact O-N 3.15Å
165	R	90.2	Very high	92.7	Very high	98 Å²	98	31 Å²	31	37%	0.37	15%	0.149	S	C	.	.	H	α-helix	trans	-74	-35.6	178.4	-172.9	178.2	65.1	-118.3	3	113.8	E143 Q161 F162 R163 S167 K194	E143-R165 IonicContact OE1-CZ 2.95Å; E143-R165 IonicContact OE1-NH1 3.42Å; E143-R165 IonicContact OE1-NH2 3.6Å; E143-R165 PolarHBondContact OE1-NH2 3.15Å; E143-R165 IonicContact OE2-CZ 3.7Å; E143-R165 IonicContact OE2-NH2 2.63Å; E143-R165 PolarHBondContact OE2-NH2 2.84Å; Q161-R165 PolarHBondContact O-N 2.76Å; Q161-R165 VanDerWaalsContact O-N 3.1Å; F162-R165 PolarHBondContact O-N 2.87Å; F162-R165 VanDerWaalsContact O-N 3.1Å; R163-R165 VanDerWaalsContact C-N 3.33Å; R165-S167 VanDerWaalsContact C-N 3.27Å; R165-S167 PolarHBondContact O-N 2.8Å; R165-K194 VanDerWaalsContact O-CE 3.25Å; R165-K194 WeakPolarHBondContact O-CE 3.24Å; R165-K194 PolarHBondContact O-NZ 2.98Å
166	E	90	Very high	92.8	Very high	30 Å²	30	29.5 Å²	29.5	14%	0.14	14%	0.14	C	C	.	.	H	α-helix	trans	-79.8	-10.3	179.9	-73.2	-52.6	106.2	0	0	113.8	F162	F162-E166 HydrophobicContact CD2-CG 3.68Å; F162-E166 HydrophobicContact CE1-CG 4.47Å; F162-E166 HydrophobicContact CE2-CB 4.46Å; F162-E166 HydrophobicContact CE2-CG 3.23Å; F162-E166 HydrophobicContact CZ-CG 3.7Å; F162-E166 PolarHBondContact O-N 2.88Å
167	S	90.5	Very high	92.9	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.014	14%	0.136	C	C	.	.	S	Bend	trans	-115.5	-178.8	178.4	66.4	0	0	0	0	111.9	R163 E164 R165 T169 R175	R163-S167 WeakPolarHBondContact O-CB 3.46Å; R163-S167 PolarHBondContact O-N 3.48Å; R163-S167 PolarHBondContact O-OG 2.81Å; E164-S167 PolarHBondContact O-OG 2.89Å; R165-S167 VanDerWaalsContact C-N 3.27Å; R165-S167 PolarHBondContact O-N 2.8Å; S167-T169 PolarHBondContact O-N 3.01Å; S167-T169 WeakPolarHBondContact OG-CB 3.14Å; S167-T169 PolarHBondContact OG-N 3.22Å; S167-T169 PolarHBondContact OG-OG1 3.02Å; S167-R175 WeakPolarHBondContact OG-CD 3.42Å
168	S	95.1	Very high	93.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	13%	0.131	C	C	.	.	S	Bend	trans	-69.2	-8.4	171.8	53.8	0	0	0	0	114.1	A170 Q171 F172 F174 R175 V193 I199	S168-A170 PolarHBondContact O-N 3.28Å; S168-Q171 PolarHBondContact O-N 3.47Å; S168-F172 WeakPolarHBondContact O-CA 3.24Å; S168-F172 WeakPolarHBondContact O-CB 3.34Å; S168-F172 PolarHBondContact O-N 3.45Å; S168-F174 CarbonylContact C-O 3.54Å; S168-F174 WeakPolarHBondContact CB-O 3.46Å; S168-F174 PolarHBondContact OG-O 2.73Å; S168-R175 WeakPolarHBondContact OG-CA 3.36Å; S168-V193 PolarHBondContact N-O 3.3Å; S168-V193 VanDerWaalsContact N-O 3.11Å; S168-I199 VanDerWaalsContact CB-CD1 3.49Å
169	T	95.3	Very high	93.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.7	-52.2	-175.1	-71.1	0	0	0	0	112.6	G114 T115 T117 E164 S167 Q171 G173 F174 R175	G114-T169 WeakPolarHBondContact O-CG2 3.46Å; T115-T169 WeakPolarHBondContact O-CG2 3.44Å; T117-T169 HydrophobicContact CG2-CG2 4.29Å; E164-T169 HydrophobicContact CB-CG2 4.02Å; E164-T169 HydrophobicContact CG-CG2 3.66Å; S167-T169 PolarHBondContact O-N 3.01Å; S167-T169 WeakPolarHBondContact OG-CB 3.14Å; S167-T169 PolarHBondContact OG-N 3.22Å; S167-T169 PolarHBondContact OG-OG1 3.02Å; T169-Q171 VanDerWaalsContact C-N 3.3Å; T169-Q171 PolarHBondContact O-N 2.85Å; T169-G173 VanDerWaalsContact O-CA 3.3Å; T169-G173 WeakPolarHBondContact O-CA 3.34Å; T169-G173 PolarHBondContact O-N 2.79Å; T169-F174 WeakPolarHBondContact CA-O 3.32Å; T169-F174 PolarHBondContact N-O 2.72Å; T169-F174 VanDerWaalsContact N-O 3.15Å; T169-R175 WeakPolarHBondContact OG1-CD 3.24Å; T169-R175 WeakPolarHBondContact OG1-CG 3.39Å; T169-R175 PolarHBondContact OG1-NH1 2.91Å
170	A	90.2	Very high	93.2	Very high	62 Å²	62	25.9 Å²	25.9	51%	0.512	13%	0.127	S	C	.	.	H	α-helix	trans	-65.6	-32.6	-174.9	0	0	0	0	0	113.3	E164 S168	E164-A170 WeakPolarHBondContact O-CB 3.47Å; E164-A170 PolarHBondContact O-N 2.88Å; E164-A170 VanDerWaalsContact O-N 3.15Å; S168-A170 PolarHBondContact O-N 3.28Å
171	Q	94.2	Very high	93.2	Very high	104 Å²	104	25.2 Å²	25.2	49%	0.486	13%	0.125	S	C	.	.	H	α-helix	trans	-93.8	-39.9	-174.8	-175.5	173.1	-7.6	0	0	113	S168 T169 Y289	S168-Q171 PolarHBondContact O-N 3.47Å; T169-Q171 VanDerWaalsContact C-N 3.3Å; T169-Q171 PolarHBondContact O-N 2.85Å; Q171-Y289 WeakPolarHBondContact O-CE1 3.24Å; Q171-Y289 PolarHBondContact O-OH 3.16Å
172	F	97	Very high	93.1	Very high	11 Å²	11	23.2 Å²	23.2	5%	0.048	12%	0.116	C	C	.	.	H	α-helix	trans	-116.7	-0	-169.8	-59.7	-64.6	0	0	0	113.5	S168 F174 K194 M196 I199 G290 Y293	S168-F172 WeakPolarHBondContact O-CA 3.24Å; S168-F172 WeakPolarHBondContact O-CB 3.34Å; S168-F172 PolarHBondContact O-N 3.45Å; F172-F174 VanDerWaalsContact C-N 3.28Å; F172-F174 HydrophobicContact CB-CD1 4.39Å; F172-F174 HydrophobicContact CB-CE1 4.09Å; F172-F174 WeakPolarHBondContact O-CD1 3.49Å; F172-F174 PolarHBondContact O-N 2.94Å; F172-K194 VanDerWaalsContact CE2-O 3.23Å; F172-K194 WeakPolarHBondContact CE2-O 3.47Å; F172-M196 HydrophobicContact CD1-CE 3.82Å; F172-M196 HydrophobicContact CD1-SD 4.41Å; F172-M196 HydrophobicContact CE1-CE 3.33Å; F172-M196 HydrophobicContact CE1-SD 4.08Å; F172-M196 HydrophobicContact CZ-CB 4.17Å; F172-M196 HydrophobicContact CZ-CE 4Å; F172-M196 HydrophobicContact CZ-SD 4.3Å; F172-I199 HydrophobicContact CD2-CD1 3.63Å; F172-I199 HydrophobicContact CE2-CD1 4.08Å; F172-I199 HydrophobicContact CG-CD1 4.21Å; F172-G290 VanDerWaalsContact O-CA 3.29Å; F172-G290 WeakPolarHBondContact O-CA 3.33Å; F172-Y293 AromaticContact CD1-CD1 3.86Å; F172-Y293 HydrophobicContact CD1-CD1 3.86Å; F172-Y293 HydrophobicContact CD1-CE1 4.01Å; F172-Y293 HydrophobicContact CD1-CG 4.15Å; F172-Y293 HydrophobicContact CE1-CD1 4.41Å; F172-Y293 HydrophobicContact CE1-CE1 4.25Å
173	G	97.2	Very high	92.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	71	17.1	174	0	0	0	0	0	115.3	G114 T169 G290	G114-G173 CarbonylContact C-O 3.55Å; G114-G173 VanDerWaalsContact C-O 3.27Å; G114-G173 WeakPolarHBondContact CA-O 3.45Å; G114-G173 PolarHBondContact N-O 3.36Å; G114-G173 CarbonylContact O-C 3.55Å; G114-G173 VanDerWaalsContact O-C 3.24Å; T169-G173 VanDerWaalsContact O-CA 3.3Å; T169-G173 WeakPolarHBondContact O-CA 3.34Å; T169-G173 PolarHBondContact O-N 2.79Å; G173-G290 WeakPolarHBondContact O-CA 3.18Å
174	F	97.7	Very high	92.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	166.8	170.2	66.8	-90.4	0	0	0	110.9	I111 K112 M113 S168 T169 F172 I199 G290 L294 V297	I111-F174 HydrophobicContact CG2-CB 3.81Å; I111-F174 HydrophobicContact CG2-CD2 3.57Å; I111-F174 HydrophobicContact CG2-CG 4.02Å; K112-F174 CarbonylContact O-C 3.51Å; K112-F174 WeakPolarHBondContact O-CA 3.38Å; K112-F174 WeakPolarHBondContact O-CB 3.04Å; M113-F174 HydrophobicContact CE-CB 4.15Å; M113-F174 HydrophobicContact SD-CB 3.74Å; S168-F174 CarbonylContact C-O 3.54Å; S168-F174 WeakPolarHBondContact CB-O 3.46Å; S168-F174 PolarHBondContact OG-O 2.73Å; T169-F174 WeakPolarHBondContact CA-O 3.32Å; T169-F174 PolarHBondContact N-O 2.72Å; T169-F174 VanDerWaalsContact N-O 3.15Å; F172-F174 VanDerWaalsContact C-N 3.28Å; F172-F174 HydrophobicContact CB-CD1 4.39Å; F172-F174 HydrophobicContact CB-CE1 4.09Å; F172-F174 WeakPolarHBondContact O-CD1 3.49Å; F172-F174 PolarHBondContact O-N 2.94Å; F174-I199 HydrophobicContact CE2-CD1 4.48Å; F174-I199 HydrophobicContact CE2-CG2 3.8Å; F174-I199 HydrophobicContact CZ-CD1 4.32Å; F174-I199 HydrophobicContact CZ-CG2 3.83Å; F174-G290 WeakPolarHBondContact CD1-O 3.07Å; F174-L294 HydrophobicContact CD1-CB 4.12Å; F174-L294 HydrophobicContact CD2-CD1 4.36Å; F174-L294 HydrophobicContact CE1-CB 3.9Å; F174-L294 HydrophobicContact CE1-CD1 4.35Å; F174-L294 HydrophobicContact CE2-CD1 3.91Å; F174-L294 HydrophobicContact CZ-CB 4.29Å; F174-L294 HydrophobicContact CZ-CD1 3.9Å; F174-V297 HydrophobicContact CZ-CG2 4.11Å
175	R	95.9	Very high	92.4	Very high	9 Å²	9	40.3 Å²	40.3	3%	0.034	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	147.1	166.8	65.5	179.3	179	-104.1	5.7	111.7	I111 K112 S167 S168 T169 E177	I111-R175 CarbonylContact C-O 3.54Å; I111-R175 WeakPolarHBondContact CA-O 3.37Å; K112-R175 HydrophobicContact CB-CG 4.18Å; K112-R175 PolarHBondContact N-O 2.8Å; K112-R175 PolarHBondContact O-N 3.25Å; S167-R175 WeakPolarHBondContact OG-CD 3.42Å; S168-R175 WeakPolarHBondContact OG-CA 3.36Å; T169-R175 WeakPolarHBondContact OG1-CD 3.24Å; T169-R175 WeakPolarHBondContact OG1-CG 3.39Å; T169-R175 PolarHBondContact OG1-NH1 2.91Å; R175-E177 WeakPolarHBondContact CD-OE1 3.33Å; R175-E177 IonicContact CZ-OE1 2.62Å; R175-E177 IonicContact NE-OE1 2.92Å; R175-E177 PolarHBondContact NE-OE1 3.44Å; R175-E177 IonicContact NH2-OE1 3.94Å
176	I	95.7	Very high	92.3	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	125.3	172.7	-55.5	173.7	0	0	0	107.2	M109 I111 V179 F190 V202	M109-I176 HydrophobicContact CE-CD1 4.32Å; M109-I176 HydrophobicContact CE-CG2 4.34Å; M109-I176 HydrophobicContact CG-CG2 4.18Å; M109-I176 HydrophobicContact SD-CD1 4.46Å; M109-I176 HydrophobicContact SD-CG2 4.4Å; I111-I176 HydrophobicContact CG1-CG1 4.36Å; I176-V179 HydrophobicContact CG2-CG2 4.05Å; I176-F190 HydrophobicContact CB-CB 4.25Å; I176-F190 HydrophobicContact CB-CG 4.21Å; I176-F190 HydrophobicContact CG2-CB 4.38Å; I176-F190 HydrophobicContact CG2-CD1 4.26Å; I176-F190 HydrophobicContact CG2-CD2 3.75Å; I176-F190 HydrophobicContact CG2-CE2 4.05Å; I176-F190 HydrophobicContact CG2-CG 3.85Å; I176-F190 HydrophobicContact CG2-CZ 4.43Å; I176-F190 WeakPolarHBondContact O-CB 3.41Å; I176-V202 HydrophobicContact CD1-CB 3.72Å; I176-V202 HydrophobicContact CD1-CG1 3.43Å; I176-V202 VanDerWaalsContact CD1-CG1 3.43Å; I176-V202 HydrophobicContact CG2-CG1 4.37Å
177	E	92.8	Very high	92.4	Very high	43 Å²	43	41.6 Å²	41.6	20%	0.201	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-40.4	179.3	-72.5	-83.8	105.2	0	0	111.2	D110 K112 R163 R175	D110-E177 HydrophobicContact CB-CB 4.42Å; D110-E177 PolarHBondContact O-N 3.49Å; K112-E177 HydrophobicContact CB-CG 3.75Å; K112-E177 WeakPolarHBondContact CE-OE2 3.3Å; R163-E177 IonicContact NH2-OE1 3.9Å; R163-E177 PolarHBondContact NH2-OE1 3.1Å; R175-E177 WeakPolarHBondContact CD-OE1 3.33Å; R175-E177 IonicContact CZ-OE1 2.62Å; R175-E177 IonicContact NE-OE1 2.92Å; R175-E177 PolarHBondContact NE-OE1 3.44Å; R175-E177 IonicContact NH2-OE1 3.94Å
178	A	94.3	Very high	92.3	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	154.5	-176.4	0	0	0	0	0	112.3	L37 M109 D110 E187 K188	L37-A178 HydrophobicContact CB-CB 3.89Å; L37-A178 HydrophobicContact CD1-CB 4.48Å; L37-A178 HydrophobicContact CD2-CB 4.38Å; M109-A178 WeakPolarHBondContact CA-O 3.46Å; D110-A178 PolarHBondContact N-O 2.84Å; A178-E187 CarbonylContact C-O 3.53Å; A178-E187 VanDerWaalsContact CA-O 3.32Å; A178-E187 WeakPolarHBondContact CA-O 3.07Å; A178-K188 HydrophobicContact CB-CG 4.07Å
179	V	94.7	Very high	91.9	Very high	13 Å²	13	51.4 Å²	51.4	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.1	175.1	175.4	0	0	0	0	109.2	I108 M109 I176 T186 E187 F190 V202 F206	I108-V179 CarbonylContact O-C 3.57Å; I108-V179 WeakPolarHBondContact O-CA 3.48Å; M109-V179 HydrophobicContact CB-CG2 4.13Å; M109-V179 HydrophobicContact CE-CG2 3.46Å; M109-V179 VanDerWaalsContact CE-CG2 3.46Å; M109-V179 HydrophobicContact CG-CG2 3.96Å; I176-V179 HydrophobicContact CG2-CG2 4.05Å; V179-T186 CarbonylContact O-C 3.56Å; V179-T186 VanDerWaalsContact O-CA 3.28Å; V179-T186 WeakPolarHBondContact O-CA 3.43Å; V179-E187 PolarHBondContact N-O 2.85Å; V179-E187 PolarHBondContact O-N 3.08Å; V179-F190 HydrophobicContact CB-CE2 3.93Å; V179-F190 HydrophobicContact CB-CZ 3.84Å; V179-F190 HydrophobicContact CG2-CE1 4.48Å; V179-F190 HydrophobicContact CG2-CE2 3.64Å; V179-F190 HydrophobicContact CG2-CZ 3.51Å; V179-V202 HydrophobicContact CG2-CG1 4.48Å; V179-F206 HydrophobicContact CG1-CD2 3.63Å; V179-F206 HydrophobicContact CG1-CE2 4.24Å
180	K	93.6	Very high	91.6	Very high	29 Å²	29	52.4 Å²	52.4	13%	0.126	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.9	162.3	170.8	-169.7	-179	-176	0	108.1	V35 L37 A107 I108 W185	V35-K180 HydrophobicContact CB-CD 4.1Å; V35-K180 HydrophobicContact CG1-CD 4.07Å; V35-K180 HydrophobicContact CG2-CD 4Å; V35-K180 VanDerWaalsContact CG2-NZ 3.32Å; L37-K180 HydrophobicContact CD2-CB 3.7Å; A107-K180 CarbonylContact C-O 3.53Å; A107-K180 VanDerWaalsContact CA-O 3.27Å; A107-K180 WeakPolarHBondContact CA-O 3.44Å; I108-K180 HydrophobicContact CB-CB 4.46Å; I108-K180 HydrophobicContact CD1-CD 4.26Å; I108-K180 PolarHBondContact N-O 3.45Å; I108-K180 PolarHBondContact O-N 3.02Å; K180-W185 WeakPolarHBondContact CA-O 3.39Å
181	S	90.5	Very high	91.4	Very high	10 Å²	10	52.1 Å²	52.1	7%	0.07	26%	0.255	C	S	.	.			trans	-94.7	170.1	171.7	84.3	0	0	0	0	113.2	Q183 G184 W185	S181-Q183 VanDerWaalsContact CB-OE1 3.27Å; S181-Q183 PolarHBondContact O-N 2.65Å; S181-Q183 PolarHBondContact OG-N 3.05Å; S181-Q183 PolarHBondContact OG-OE1 3.02Å; S181-G184 PolarHBondContact O-N 3.1Å; S181-W185 PolarHBondContact N-O 3.4Å; S181-W185 VanDerWaalsContact N-O 3.12Å; S181-W185 PolarHBondContact OG-NE1 2.85Å
182	Q	88.1	Confident	91	Very high	38 Å²	38	54.6 Å²	54.6	18%	0.178	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.4	170.6	-58.9	-178.4	-78.6	0	0	113.1	N105 A107 G184 Y249 D251	N105-Q182 PolarHBondContact ND2-O 2.99Å; A107-Q182 HydrophobicContact CB-CG 3.83Å; Q182-G184 VanDerWaalsContact C-N 3.27Å; Q182-Y249 HydrophobicContact CG-CE2 4.48Å; Q182-D251 PolarHBondContact NE2-OD1 2.79Å
183	Q	86.3	Confident	90.8	Very high	155 Å²	155	54.9 Å²	54.9	72%	0.724	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.2	175	-59.4	82.1	25.1	0	0	113.1	S181 W185	S181-Q183 VanDerWaalsContact CB-OE1 3.27Å; S181-Q183 PolarHBondContact O-N 2.65Å; S181-Q183 PolarHBondContact OG-N 3.05Å; S181-Q183 PolarHBondContact OG-OE1 3.02Å; Q183-W185 PolarHBondContact O-N 2.95Å
184	G	82.8	Confident	90.6	Very high	48 Å²	48	58.5 Å²	58.5	50%	0.495	28%	0.278	S	S	.	.	S	Bend	trans	89.2	-9	173.1	0	0	0	0	0	115.5	S181 Q182	S181-G184 PolarHBondContact O-N 3.1Å; Q182-G184 VanDerWaalsContact C-N 3.27Å
185	W	87.8	Confident	90.4	Very high	190 Å²	190	61.7 Å²	61.7	72%	0.72	30%	0.298	S	S	*	.			trans	-67	149.5	171.5	74.8	-11.4	0	0	0	110.9	K180 S181 Q183	K180-W185 WeakPolarHBondContact CA-O 3.39Å; S181-W185 PolarHBondContact N-O 3.4Å; S181-W185 VanDerWaalsContact N-O 3.12Å; S181-W185 PolarHBondContact OG-NE1 2.85Å; Q183-W185 PolarHBondContact O-N 2.95Å
186	T	90	Very high	90.3	Very high	63 Å²	63	63.4 Å²	63.4	39%	0.387	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.9	176.9	-58.7	0	0	0	0	108.6	L37 V179 K188	L37-T186 HydrophobicContact CD2-CG2 4.15Å; V179-T186 CarbonylContact O-C 3.56Å; V179-T186 VanDerWaalsContact O-CA 3.28Å; V179-T186 WeakPolarHBondContact O-CA 3.43Å; T186-K188 HydrophobicContact CG2-CG 4.36Å
187	E	91.2	Very high	90.3	Very high	93 Å²	93	68.9 Å²	68.9	44%	0.435	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.4	175.4	-176.3	52.7	-97.4	0	0	108.9	A178 V179 N189 F190	A178-E187 CarbonylContact C-O 3.53Å; A178-E187 VanDerWaalsContact CA-O 3.32Å; A178-E187 WeakPolarHBondContact CA-O 3.07Å; V179-E187 PolarHBondContact N-O 2.85Å; V179-E187 PolarHBondContact O-N 3.08Å; E187-N189 WeakPolarHBondContact OE1-CA 3.34Å; E187-N189 WeakPolarHBondContact OE1-CB 3.37Å; E187-N189 PolarHBondContact OE1-N 3.36Å; E187-F190 HydrophobicContact CB-CE2 4Å; E187-F190 HydrophobicContact CB-CZ 3.82Å; E187-F190 HydrophobicContact CG-CE1 4.13Å; E187-F190 HydrophobicContact CG-CE2 3.83Å; E187-F190 HydrophobicContact CG-CZ 3.57Å; E187-F190 VanDerWaalsContact O-CE2 3.31Å; E187-F190 WeakPolarHBondContact O-CE2 3.26Å
188	K	89	Confident	90.5	Very high	96 Å²	96	70.5 Å²	70.5	42%	0.417	34%	0.344	S	S	.	.			trans	-128.9	-6.3	177.6	-56.8	-169.1	-174.8	-165.3	0	112.1	Q36 L37 A178 T186 F190	Q36-K188 PolarHBondContact O-NZ 2.89Å; L37-K188 WeakPolarHBondContact O-CD 3.48Å; L37-K188 WeakPolarHBondContact O-CE 3.38Å; L37-K188 PolarHBondContact O-NZ 3.33Å; A178-K188 HydrophobicContact CB-CG 4.07Å; T186-K188 HydrophobicContact CG2-CG 4.36Å; K188-F190 PolarHBondContact O-N 2.92Å
189	N	85.7	Confident	90.5	Very high	113 Å²	113	70.5 Å²	70.5	60%	0.604	34%	0.343	S	S	*	.			trans	-86.4	54.6	-176.6	-165.5	17.1	0	0	0	112.3	E187 K191	E187-N189 WeakPolarHBondContact OE1-CA 3.34Å; E187-N189 WeakPolarHBondContact OE1-CB 3.37Å; E187-N189 PolarHBondContact OE1-N 3.36Å; N189-K191 PolarHBondContact O-N 3.49Å
190	F	90.2	Very high	90.5	Very high	21 Å²	21	73.2 Å²	73.2	9%	0.092	36%	0.356	C	S	.	.			trans	-91.4	16.3	172.4	-61.7	-69.2	0	0	0	112.1	I176 V179 E187 K188 R192 V193 V202	I176-F190 HydrophobicContact CB-CB 4.25Å; I176-F190 HydrophobicContact CB-CG 4.21Å; I176-F190 HydrophobicContact CG2-CB 4.38Å; I176-F190 HydrophobicContact CG2-CD1 4.26Å; I176-F190 HydrophobicContact CG2-CD2 3.75Å; I176-F190 HydrophobicContact CG2-CE2 4.05Å; I176-F190 HydrophobicContact CG2-CG 3.85Å; I176-F190 HydrophobicContact CG2-CZ 4.43Å; I176-F190 WeakPolarHBondContact O-CB 3.41Å; V179-F190 HydrophobicContact CB-CE2 3.93Å; V179-F190 HydrophobicContact CB-CZ 3.84Å; V179-F190 HydrophobicContact CG2-CE1 4.48Å; V179-F190 HydrophobicContact CG2-CE2 3.64Å; V179-F190 HydrophobicContact CG2-CZ 3.51Å; E187-F190 HydrophobicContact CB-CE2 4Å; E187-F190 HydrophobicContact CB-CZ 3.82Å; E187-F190 HydrophobicContact CG-CE1 4.13Å; E187-F190 HydrophobicContact CG-CE2 3.83Å; E187-F190 HydrophobicContact CG-CZ 3.57Å; E187-F190 VanDerWaalsContact O-CE2 3.31Å; E187-F190 WeakPolarHBondContact O-CE2 3.26Å; K188-F190 PolarHBondContact O-N 2.92Å; F190-R192 PolarHBondContact O-N 3.38Å; F190-V193 HydrophobicContact CB-CG2 4.21Å; F190-V193 HydrophobicContact CD1-CG2 3.97Å; F190-V193 PolarHBondContact O-N 3Å; F190-V193 VanDerWaalsContact O-N 3.09Å; F190-V202 HydrophobicContact CD1-CG1 4.14Å; F190-V202 HydrophobicContact CD1-CG2 4.15Å; F190-V202 HydrophobicContact CE1-CG1 3.59Å; F190-V202 HydrophobicContact CE1-CG2 3.99Å; F190-V202 HydrophobicContact CZ-CG1 4.19Å
191	K	84.8	Confident	90.5	Very high	56 Å²	56	76.9 Å²	76.9	24%	0.243	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.5	-168	-65	-177.5	176.8	176.7	0	114	I139 R163 N189	I139-K191 HydrophobicContact CD1-CD 3.71Å; I139-K191 HydrophobicContact CG1-CD 3.7Å; R163-K191 VanDerWaalsContact NH1-CA 3.33Å; R163-K191 PolarHBondContact NH1-O 2.91Å; N189-K191 PolarHBondContact O-N 3.49Å
192	R	86.8	Confident	90.7	Very high	155 Å²	155	77.5 Å²	77.5	59%	0.585	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	12.3	-179.3	-52.4	-171.8	82.7	-177.5	8.6	113.5	F190 K194	F190-R192 PolarHBondContact O-N 3.38Å; R192-K194 PolarHBondContact O-N 3.38Å
193	V	92.3	Very high	91	Very high	18 Å²	18	75.8 Å²	75.8	11%	0.109	37%	0.369	C	S	.	.			trans	-74.5	106.4	169.6	174.1	0	0	0	0	107.2	S168 F190 Q198 I199 V202	S168-V193 PolarHBondContact N-O 3.3Å; S168-V193 VanDerWaalsContact N-O 3.11Å; F190-V193 HydrophobicContact CB-CG2 4.21Å; F190-V193 HydrophobicContact CD1-CG2 3.97Å; F190-V193 PolarHBondContact O-N 3Å; F190-V193 VanDerWaalsContact O-N 3.09Å; V193-Q198 HydrophobicContact CG1-CB 3.99Å; V193-I199 HydrophobicContact CG1-CG1 3.88Å; V193-V202 HydrophobicContact CG2-CG2 4.21Å
194	K	92.4	Very high	91.3	Very high	75 Å²	75	70.2 Å²	70.2	33%	0.326	35%	0.346	S	S	.	.			trans	-129.7	-37.8	-169.2	-179.2	168.9	177	172.1	0	113.3	R165 F172 R192	R165-K194 VanDerWaalsContact O-CE 3.25Å; R165-K194 WeakPolarHBondContact O-CE 3.24Å; R165-K194 PolarHBondContact O-NZ 2.98Å; F172-K194 VanDerWaalsContact CE2-O 3.23Å; F172-K194 WeakPolarHBondContact CE2-O 3.47Å; R192-K194 PolarHBondContact O-N 3.38Å
195	T	94.3	Very high	91.7	Very high	67 Å²	67	71.8 Å²	71.8	41%	0.411	34%	0.343	S	S	.	.	S	Bend	trans	-85.5	157	-177	64.9	0	0	0	0	111.9	D197 Q198 I199	T195-D197 VanDerWaalsContact C-N 3.28Å; T195-D197 PolarHBondContact O-N 3.04Å; T195-Q198 PolarHBondContact O-N 3.4Å; T195-Q198 VanDerWaalsContact OG1-CD 3.24Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.48Å; T195-Q198 PolarHBondContact OG1-N 3.29Å; T195-Q198 PolarHBondContact OG1-OE1 3.07Å; T195-I199 VanDerWaalsContact O-CG1 3.3Å; T195-I199 WeakPolarHBondContact O-CG1 3.47Å; T195-I199 PolarHBondContact O-N 3.46Å
196	M	94.2	Very high	92	Very high	46 Å²	46	63.3 Å²	63.3	23%	0.227	31%	0.311	C	S	.	.	H	α-helix	trans	-55.8	-43.5	177.4	-165	67.5	92.6	0	0	112.2	F172 Q198 I199 M200 Y293 V297	F172-M196 HydrophobicContact CD1-CE 3.82Å; F172-M196 HydrophobicContact CD1-SD 4.41Å; F172-M196 HydrophobicContact CE1-CE 3.33Å; F172-M196 HydrophobicContact CE1-SD 4.08Å; F172-M196 HydrophobicContact CZ-CB 4.17Å; F172-M196 HydrophobicContact CZ-CE 4Å; F172-M196 HydrophobicContact CZ-SD 4.3Å; M196-Q198 PolarHBondContact O-N 2.71Å; M196-I199 PolarHBondContact O-N 2.73Å; M196-M200 HydrophobicContact CG-CE 4.15Å; M196-M200 WeakPolarHBondContact O-CG 3.41Å; M196-M200 PolarHBondContact O-N 3.41Å; M196-Y293 HydrophobicContact CE-CD1 3.77Å; M196-Y293 HydrophobicContact CE-CE1 3.98Å; M196-V297 HydrophobicContact CE-CG1 4.21Å; M196-V297 HydrophobicContact CG-CG1 4.23Å; M196-V297 HydrophobicContact SD-CG1 3.22Å; M196-V297 WeakPolarHBondContact SD-CG1 3.32Å
197	D	95.2	Very high	92	Very high	117 Å²	117	60.5 Å²	60.5	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-64.1	-42.2	-179.1	-65.3	-27.7	0	0	0	112	T195 M200 E201	T195-D197 VanDerWaalsContact C-N 3.28Å; T195-D197 PolarHBondContact O-N 3.04Å; D197-M200 PolarHBondContact O-N 2.84Å; D197-M200 WeakPolarHBondContact OD1-CE 3.41Å; D197-E201 WeakPolarHBondContact O-CB 3.48Å; D197-E201 PolarHBondContact O-N 2.84Å
198	Q	95.5	Very high	91.7	Very high	77 Å²	77	57.3 Å²	57.3	36%	0.36	29%	0.286	S	S	.	.	H	α-helix	trans	-63.3	-42	175.2	-69.7	168	-38.6	0	0	111.7	V193 T195 M196 E201 V202	V193-Q198 HydrophobicContact CG1-CB 3.99Å; T195-Q198 PolarHBondContact O-N 3.4Å; T195-Q198 VanDerWaalsContact OG1-CD 3.24Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.48Å; T195-Q198 PolarHBondContact OG1-N 3.29Å; T195-Q198 PolarHBondContact OG1-OE1 3.07Å; M196-Q198 PolarHBondContact O-N 2.71Å; Q198-E201 PolarHBondContact O-N 2.92Å; Q198-V202 WeakPolarHBondContact O-CG2 2.9Å; Q198-V202 PolarHBondContact O-N 2.91Å
199	I	95.9	Very high	90.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-49.9	177	-64.7	162.9	0	0	0	110	S168 F172 F174 V193 T195 M196 E201 V202 L203 V297	S168-I199 VanDerWaalsContact CB-CD1 3.49Å; F172-I199 HydrophobicContact CD2-CD1 3.63Å; F172-I199 HydrophobicContact CE2-CD1 4.08Å; F172-I199 HydrophobicContact CG-CD1 4.21Å; F174-I199 HydrophobicContact CE2-CD1 4.48Å; F174-I199 HydrophobicContact CE2-CG2 3.8Å; F174-I199 HydrophobicContact CZ-CD1 4.32Å; F174-I199 HydrophobicContact CZ-CG2 3.83Å; V193-I199 HydrophobicContact CG1-CG1 3.88Å; T195-I199 VanDerWaalsContact O-CG1 3.3Å; T195-I199 WeakPolarHBondContact O-CG1 3.47Å; T195-I199 PolarHBondContact O-N 3.46Å; M196-I199 PolarHBondContact O-N 2.73Å; I199-E201 VanDerWaalsContact C-N 3.3Å; I199-E201 PolarHBondContact O-N 2.89Å; I199-V202 PolarHBondContact O-N 3.14Å; I199-L203 HydrophobicContact CG2-CD1 3.89Å; I199-L203 HydrophobicContact CG2-CG 4.4Å; I199-L203 WeakPolarHBondContact O-CG 3.48Å; I199-L203 PolarHBondContact O-N 3.35Å; I199-V297 HydrophobicContact CG2-CG2 4.1Å
200	M	94.3	Very high	89.9	Confident	70 Å²	70	59.4 Å²	59.4	35%	0.345	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-42.3	178.2	-73.4	-172.1	-62.4	0	0	111.4	M196 D197 V202 L203 V204 V297	M196-M200 HydrophobicContact CG-CE 4.15Å; M196-M200 WeakPolarHBondContact O-CG 3.41Å; M196-M200 PolarHBondContact O-N 3.41Å; D197-M200 PolarHBondContact O-N 2.84Å; D197-M200 WeakPolarHBondContact OD1-CE 3.41Å; M200-V202 PolarHBondContact O-N 3.37Å; M200-L203 PolarHBondContact O-N 3.11Å; M200-V204 WeakPolarHBondContact O-CB 3.47Å; M200-V204 WeakPolarHBondContact O-CG2 3.29Å; M200-V204 PolarHBondContact O-N 2.63Å; M200-V297 HydrophobicContact CG-CB 4.04Å; M200-V297 HydrophobicContact CG-CG1 4.13Å
201	E	94	Very high	89.4	Confident	107 Å²	107	60.1 Å²	60.1	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-59.7	-47.4	177.1	179.7	171	-156.9	0	0	111.8	D197 Q198 I199 V204 N205	D197-E201 WeakPolarHBondContact O-CB 3.48Å; D197-E201 PolarHBondContact O-N 2.84Å; Q198-E201 PolarHBondContact O-N 2.92Å; I199-E201 VanDerWaalsContact C-N 3.3Å; I199-E201 PolarHBondContact O-N 2.89Å; E201-V204 PolarHBondContact O-N 2.86Å; E201-N205 WeakPolarHBondContact CG-ND2 3.31Å; E201-N205 VanDerWaalsContact O-CB 3.32Å; E201-N205 WeakPolarHBondContact O-CB 3.2Å; E201-N205 PolarHBondContact O-N 3.33Å; E201-N205 PolarHBondContact O-ND2 2.77Å
202	V	94.9	Very high	89.6	Confident	23 Å²	23	66 Å²	66	14%	0.139	34%	0.337	C	S	.	.	H	α-helix	trans	-63	-44.9	178.3	178.4	0	0	0	0	111.1	M109 I176 V179 F190 V193 Q198 I199 M200 N205 F206	M109-V202 HydrophobicContact CE-CG1 3.95Å; I176-V202 HydrophobicContact CD1-CB 3.72Å; I176-V202 HydrophobicContact CD1-CG1 3.43Å; I176-V202 VanDerWaalsContact CD1-CG1 3.43Å; I176-V202 HydrophobicContact CG2-CG1 4.37Å; V179-V202 HydrophobicContact CG2-CG1 4.48Å; F190-V202 HydrophobicContact CD1-CG1 4.14Å; F190-V202 HydrophobicContact CD1-CG2 4.15Å; F190-V202 HydrophobicContact CE1-CG1 3.59Å; F190-V202 HydrophobicContact CE1-CG2 3.99Å; F190-V202 HydrophobicContact CZ-CG1 4.19Å; V193-V202 HydrophobicContact CG2-CG2 4.21Å; Q198-V202 WeakPolarHBondContact O-CG2 2.9Å; Q198-V202 PolarHBondContact O-N 2.91Å; I199-V202 PolarHBondContact O-N 3.14Å; M200-V202 PolarHBondContact O-N 3.37Å; V202-N205 PolarHBondContact O-N 2.96Å; V202-F206 VanDerWaalsContact O-CB 3.29Å; V202-F206 WeakPolarHBondContact O-CB 3.42Å; V202-F206 PolarHBondContact O-N 3.39Å
203	L	94.3	Very high	89.9	Confident	1 Å²	1	65 Å²	65	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-62.9	-43.2	177.9	-72.1	175	0	0	0	112.3	M109 I111 I199 M200 F206 M207 L294 V297	M109-L203 HydrophobicContact CE-CD2 4.16Å; M109-L203 HydrophobicContact SD-CD2 3.7Å; I111-L203 HydrophobicContact CD1-CD2 4.27Å; I199-L203 HydrophobicContact CG2-CD1 3.89Å; I199-L203 HydrophobicContact CG2-CG 4.4Å; I199-L203 WeakPolarHBondContact O-CG 3.48Å; I199-L203 PolarHBondContact O-N 3.35Å; M200-L203 PolarHBondContact O-N 3.11Å; L203-F206 PolarHBondContact O-N 2.84Å; L203-M207 HydrophobicContact CB-CE 3.97Å; L203-M207 WeakPolarHBondContact O-CE 3.37Å; L203-M207 PolarHBondContact O-N 3.42Å; L203-L294 HydrophobicContact CD1-CD1 4.35Å; L203-V297 HydrophobicContact CD1-CB 4.05Å; L203-V297 HydrophobicContact CD1-CG2 3.45Å; L203-V297 VanDerWaalsContact CD1-CG2 3.45Å
204	V	91.8	Very high	89.9	Confident	38 Å²	38	64.2 Å²	64.2	23%	0.23	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-43.5	178	161.9	0	0	0	0	111.3	M200 E201 G208 R209	M200-V204 WeakPolarHBondContact O-CB 3.47Å; M200-V204 WeakPolarHBondContact O-CG2 3.29Å; M200-V204 PolarHBondContact O-N 2.63Å; E201-V204 PolarHBondContact O-N 2.86Å; V204-G208 CarbonylContact O-C 3.2Å; V204-G208 WeakPolarHBondContact O-CA 3.37Å; V204-G208 PolarHBondContact O-N 2.92Å; V204-G208 VanDerWaalsContact O-N 3.07Å; V204-R209 HydrophobicContact CG1-CB 4.43Å; V204-R209 HydrophobicContact CG1-CG 3.58Å; V204-R209 PolarHBondContact O-N 3.11Å
205	N	91.7	Very high	90	Very high	81 Å²	81	63.7 Å²	63.7	43%	0.433	33%	0.325	S	S	.	.	H	α-helix	trans	-68.9	-41	177.8	-71.2	-23.3	0	0	0	110.9	E201 V202 G208 R209	E201-N205 WeakPolarHBondContact CG-ND2 3.31Å; E201-N205 VanDerWaalsContact O-CB 3.32Å; E201-N205 WeakPolarHBondContact O-CB 3.2Å; E201-N205 PolarHBondContact O-N 3.33Å; E201-N205 PolarHBondContact O-ND2 2.77Å; V202-N205 PolarHBondContact O-N 2.96Å; N205-G208 PolarHBondContact O-N 3.28Å; N205-R209 PolarHBondContact OD1-NE 2.65Å; N205-R209 PolarHBondContact OD1-NH2 2.74Å
206	F	93.2	Very high	90.1	Very high	13 Å²	13	63.9 Å²	63.9	6%	0.057	33%	0.329	C	S	.	.	H	α-helix	trans	-60.7	-52.5	175.8	170.5	-113.1	0	0	0	112.3	A107 M109 V179 V202 L203 G208 F247 Y249	A107-F206 HydrophobicContact CB-CD2 4.47Å; A107-F206 HydrophobicContact CB-CE2 3.76Å; A107-F206 HydrophobicContact CB-CZ 4.29Å; M109-F206 HydrophobicContact CB-CD1 4.08Å; M109-F206 HydrophobicContact CB-CD2 4.02Å; M109-F206 HydrophobicContact CB-CE1 3.76Å; M109-F206 HydrophobicContact CB-CE2 3.65Å; M109-F206 HydrophobicContact CB-CG 4.22Å; M109-F206 HydrophobicContact CB-CZ 3.52Å; M109-F206 HydrophobicContact CE-CB 3.32Å; M109-F206 HydrophobicContact CE-CD1 3.64Å; M109-F206 HydrophobicContact CE-CD2 4.03Å; M109-F206 HydrophobicContact CE-CE1 4.47Å; M109-F206 HydrophobicContact CE-CG 3.39Å; M109-F206 HydrophobicContact SD-CD1 4.01Å; M109-F206 HydrophobicContact SD-CE1 4.4Å; M109-F206 HydrophobicContact SD-CG 4.33Å; V179-F206 HydrophobicContact CG1-CD2 3.63Å; V179-F206 HydrophobicContact CG1-CE2 4.24Å; V202-F206 VanDerWaalsContact O-CB 3.29Å; V202-F206 WeakPolarHBondContact O-CB 3.42Å; V202-F206 PolarHBondContact O-N 3.39Å; L203-F206 PolarHBondContact O-N 2.84Å; F206-G208 PolarHBondContact O-N 3.01Å; F206-F247 HydrophobicContact CE1-CB 3.97Å; F206-F247 HydrophobicContact CZ-CB 4.25Å; F206-Y249 HydrophobicContact CD1-CE1 4.38Å; F206-Y249 HydrophobicContact CD2-CE1 4.34Å; F206-Y249 AromaticContact CE1-CD1 3.99Å; F206-Y249 HydrophobicContact CE1-CD1 3.99Å; F206-Y249 HydrophobicContact CE1-CE1 4.02Å; F206-Y249 HydrophobicContact CE2-CD1 4.44Å; F206-Y249 HydrophobicContact CE2-CE1 4.02Å; F206-Y249 AromaticContact CZ-CD1 3.84Å; F206-Y249 HydrophobicContact CZ-CD1 3.84Å; F206-Y249 AromaticContact CZ-CE1 3.84Å; F206-Y249 HydrophobicContact CZ-CE1 3.84Å; F206-Y249 VanDerWaalsContact O-CE1 3.26Å; F206-Y249 WeakPolarHBondContact O-CE1 3.33Å; F206-Y249 PolarHBondContact O-OH 3.42Å
207	M	90.3	Very high	90.2	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-77.9	-8.5	-177.1	-65	-175.1	-82.3	0	0	113.2	L203 S211 V214 R215 I218	L203-M207 HydrophobicContact CB-CE 3.97Å; L203-M207 WeakPolarHBondContact O-CE 3.37Å; L203-M207 PolarHBondContact O-N 3.42Å; M207-S211 WeakPolarHBondContact O-CB 3.31Å; M207-V214 HydrophobicContact CB-CG1 4.2Å; M207-V214 HydrophobicContact CG-CG1 4.06Å; M207-V214 HydrophobicContact SD-CG1 4.3Å; M207-R215 HydrophobicContact CB-CG 4.22Å; M207-R215 HydrophobicContact CE-CG 3.85Å; M207-R215 HydrophobicContact SD-CB 4.41Å; M207-R215 HydrophobicContact SD-CG 3.64Å; M207-I218 HydrophobicContact SD-CG1 4.47Å
208	G	84.8	Confident	90.3	Very high	27 Å²	27	59 Å²	59	28%	0.278	31%	0.306	S	S	.	.			trans	81.5	133.1	-171.1	0	0	0	0	0	112.5	V204 N205 F206 G210 S211 R215	V204-G208 CarbonylContact O-C 3.2Å; V204-G208 WeakPolarHBondContact O-CA 3.37Å; V204-G208 PolarHBondContact O-N 2.92Å; V204-G208 VanDerWaalsContact O-N 3.07Å; N205-G208 PolarHBondContact O-N 3.28Å; F206-G208 PolarHBondContact O-N 3.01Å; G208-G210 PolarHBondContact O-N 2.62Å; G208-S211 PolarHBondContact O-N 2.6Å; G208-S211 VanDerWaalsContact O-N 3.11Å; G208-R215 PolarHBondContact O-NH2 3.23Å
209	R	70	Confident	90.3	Very high	183 Å²	183	56.4 Å²	56.4	69%	0.691	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.4	-174.6	-73.8	-178	-176.4	-141.7	-0.2	114.5	V204 N205	V204-R209 HydrophobicContact CG1-CB 4.43Å; V204-R209 HydrophobicContact CG1-CG 3.58Å; V204-R209 PolarHBondContact O-N 3.11Å; N205-R209 PolarHBondContact OD1-NE 2.65Å; N205-R209 PolarHBondContact OD1-NH2 2.74Å
210	G	66.2	Low	90.5	Very high	70 Å²	70	65.9 Å²	65.9	72%	0.722	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-2.6	-179.5	0	0	0	0	0	116.1	G208 K212	G208-G210 PolarHBondContact O-N 2.62Å; G210-K212 VanDerWaalsContact C-N 3.3Å; G210-K212 PolarHBondContact O-N 2.68Å
211	S	80.9	Confident	90.6	Very high	35 Å²	35	64.2 Å²	64.2	25%	0.245	32%	0.321	C	S	.	.			trans	-83	69.6	-169.4	-161.1	0	0	0	0	113.1	M207 G208 R213 V214 R215	M207-S211 WeakPolarHBondContact O-CB 3.31Å; G208-S211 PolarHBondContact O-N 2.6Å; G208-S211 VanDerWaalsContact O-N 3.11Å; S211-R213 PolarHBondContact O-N 3.44Å; S211-V214 PolarHBondContact O-N 2.82Å; S211-V214 WeakPolarHBondContact OG-CB 3.17Å; S211-V214 WeakPolarHBondContact OG-CG2 3.39Å; S211-V214 PolarHBondContact OG-N 2.68Å; S211-R215 PolarHBondContact O-N 3.31Å
212	K	89.2	Confident	90.9	Very high	180 Å²	180	59.1 Å²	59.1	78%	0.783	30%	0.297	S	S	*	.	H	α-helix	trans	-55.5	-33.3	173.5	-67.9	-174.5	179.9	-179.2	0	111.7	G210 S216	G210-K212 VanDerWaalsContact C-N 3.3Å; G210-K212 PolarHBondContact O-N 2.68Å; K212-S216 VanDerWaalsContact O-CB 3.29Å; K212-S216 WeakPolarHBondContact O-CB 3.49Å; K212-S216 PolarHBondContact O-N 3.34Å; K212-S216 PolarHBondContact O-OG 3.1Å; K212-S216 VanDerWaalsContact O-OG 3.09Å
213	R	91.8	Very high	91.1	Very high	133 Å²	133	63.1 Å²	63.1	50%	0.502	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-55.4	178.1	-165.8	-172.7	76.2	-174.8	0.6	111	S211 R215 S216 V217 D251	S211-R213 PolarHBondContact O-N 3.44Å; R213-R215 PolarHBondContact O-N 2.69Å; R213-S216 PolarHBondContact O-N 2.94Å; R213-S216 PolarHBondContact O-OG 3.08Å; R213-V217 WeakPolarHBondContact O-CG2 3.49Å; R213-V217 PolarHBondContact O-N 2.93Å; R213-V217 VanDerWaalsContact O-N 3.12Å; R213-D251 PolarHBondContact NH1-O 2.76Å; R213-D251 PolarHBondContact NH2-O 2.67Å
214	V	94	Very high	91.3	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.012	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-49.7	-178.2	172.4	0	0	0	0	110.3	M207 S211 S216 V217 I218 Y249 A254	M207-V214 HydrophobicContact CB-CG1 4.2Å; M207-V214 HydrophobicContact CG-CG1 4.06Å; M207-V214 HydrophobicContact SD-CG1 4.3Å; S211-V214 PolarHBondContact O-N 2.82Å; S211-V214 WeakPolarHBondContact OG-CB 3.17Å; S211-V214 WeakPolarHBondContact OG-CG2 3.39Å; S211-V214 PolarHBondContact OG-N 2.68Å; V214-S216 PolarHBondContact O-N 3.04Å; V214-V217 PolarHBondContact O-N 2.85Å; V214-I218 HydrophobicContact CG1-CG1 4.12Å; V214-I218 WeakPolarHBondContact O-CB 3.33Å; V214-I218 VanDerWaalsContact O-CG1 3.28Å; V214-I218 WeakPolarHBondContact O-CG1 3.33Å; V214-I218 PolarHBondContact O-N 2.95Å; V214-Y249 HydrophobicContact CG1-CD1 3.98Å; V214-Y249 HydrophobicContact CG1-CD2 4.35Å; V214-Y249 HydrophobicContact CG1-CG 3.82Å; V214-Y249 HydrophobicContact CG2-CD2 3.83Å; V214-Y249 HydrophobicContact CG2-CE2 4.47Å; V214-Y249 HydrophobicContact CG2-CG 4.07Å; V214-A254 HydrophobicContact CG1-CB 4.12Å; V214-A254 HydrophobicContact CG2-CB 4.44Å
215	R	94.2	Very high	91.6	Very high	64 Å²	64	65.5 Å²	65.5	24%	0.242	32%	0.323	C	S	.	.	H	α-helix	trans	-55.5	-48.4	178.2	-66.5	-173.2	-166	-179.6	6.6	112.5	M207 G208 S211 R213 V217 I218 V219	M207-R215 HydrophobicContact CB-CG 4.22Å; M207-R215 HydrophobicContact CE-CG 3.85Å; M207-R215 HydrophobicContact SD-CB 4.41Å; M207-R215 HydrophobicContact SD-CG 3.64Å; G208-R215 PolarHBondContact O-NH2 3.23Å; S211-R215 PolarHBondContact O-N 3.31Å; R213-R215 PolarHBondContact O-N 2.69Å; R215-V217 VanDerWaalsContact C-N 3.32Å; R215-V217 PolarHBondContact O-N 3.04Å; R215-I218 PolarHBondContact O-N 3.47Å; R215-V219 WeakPolarHBondContact O-CB 3.42Å; R215-V219 VanDerWaalsContact O-CG2 3.3Å; R215-V219 WeakPolarHBondContact O-CG2 3.49Å; R215-V219 PolarHBondContact O-N 3.42Å
216	S	95.2	Very high	91.9	Very high	71 Å²	71	65 Å²	65	50%	0.497	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-38	-178.6	67.4	0	0	0	0	113.1	K212 R213 V214 R220	K212-S216 VanDerWaalsContact O-CB 3.29Å; K212-S216 WeakPolarHBondContact O-CB 3.49Å; K212-S216 PolarHBondContact O-N 3.34Å; K212-S216 PolarHBondContact O-OG 3.1Å; K212-S216 VanDerWaalsContact O-OG 3.09Å; R213-S216 PolarHBondContact O-N 2.94Å; R213-S216 PolarHBondContact O-OG 3.08Å; V214-S216 PolarHBondContact O-N 3.04Å; S216-R220 VanDerWaalsContact O-CB 3.26Å; S216-R220 WeakPolarHBondContact O-CB 2.93Å; S216-R220 PolarHBondContact O-N 3.47Å
217	V	96.4	Very high	92.2	Very high	58 Å²	58	65.5 Å²	65.5	35%	0.352	32%	0.322	S	S	.	.	H	α-helix	trans	-67.5	-46.8	176.4	174.1	0	0	0	0	110.7	R213 V214 R215 R220 R221 A254	R213-V217 WeakPolarHBondContact O-CG2 3.49Å; R213-V217 PolarHBondContact O-N 2.93Å; R213-V217 VanDerWaalsContact O-N 3.12Å; V214-V217 PolarHBondContact O-N 2.85Å; R215-V217 VanDerWaalsContact C-N 3.32Å; R215-V217 PolarHBondContact O-N 3.04Å; V217-R220 PolarHBondContact O-N 3.29Å; V217-R221 VanDerWaalsContact O-CB 3.32Å; V217-R221 WeakPolarHBondContact O-CB 3.5Å; V217-R221 PolarHBondContact O-N 3.45Å; V217-A254 HydrophobicContact CB-CB 4.13Å; V217-A254 HydrophobicContact CG1-CB 3.9Å; V217-A254 WeakPolarHBondContact CG1-O 3.27Å
218	I	96.8	Very high	92.6	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-51.6	178.3	-67.8	-66	0	0	0	110.7	M207 V214 R215 R220 R221 L222 F247 A254 V256	M207-I218 HydrophobicContact SD-CG1 4.47Å; V214-I218 HydrophobicContact CG1-CG1 4.12Å; V214-I218 WeakPolarHBondContact O-CB 3.33Å; V214-I218 VanDerWaalsContact O-CG1 3.28Å; V214-I218 WeakPolarHBondContact O-CG1 3.33Å; V214-I218 PolarHBondContact O-N 2.95Å; R215-I218 PolarHBondContact O-N 3.47Å; I218-R220 VanDerWaalsContact C-N 3.32Å; I218-R220 PolarHBondContact O-N 3.09Å; I218-R221 WeakPolarHBondContact O-CA 3.44Å; I218-R221 WeakPolarHBondContact O-CB 3.32Å; I218-R221 PolarHBondContact O-N 2.96Å; I218-L222 HydrophobicContact CG2-CD1 3.98Å; I218-L222 HydrophobicContact CG2-CG 4.34Å; I218-L222 WeakPolarHBondContact O-CG 3.41Å; I218-L222 PolarHBondContact O-N 2.76Å; I218-F247 HydrophobicContact CD1-CD1 4.1Å; I218-F247 HydrophobicContact CG2-CD1 3.7Å; I218-F247 HydrophobicContact CG2-CE1 3.29Å; I218-F247 HydrophobicContact CG2-CZ 4.26Å; I218-A254 HydrophobicContact CD1-CB 4.28Å; I218-A254 HydrophobicContact CG1-CB 4.38Å; I218-V256 HydrophobicContact CD1-CG2 3.47Å; I218-V256 VanDerWaalsContact CD1-CG2 3.47Å; I218-V256 HydrophobicContact CG2-CG2 4.13Å
219	V	97.3	Very high	93.2	Very high	23 Å²	23	67.6 Å²	67.6	14%	0.139	32%	0.324	C	S	.	.	H	α-helix	trans	-59.2	-42.8	178.5	171.7	0	0	0	0	111.4	R215 R221 L222 K223 S298	R215-V219 WeakPolarHBondContact O-CB 3.42Å; R215-V219 VanDerWaalsContact O-CG2 3.3Å; R215-V219 WeakPolarHBondContact O-CG2 3.49Å; R215-V219 PolarHBondContact O-N 3.42Å; V219-R221 VanDerWaalsContact C-N 3.32Å; V219-R221 PolarHBondContact O-N 2.89Å; V219-L222 PolarHBondContact O-N 3.43Å; V219-K223 HydrophobicContact CG1-CD 4.1Å; V219-K223 WeakPolarHBondContact O-CB 3.43Å; V219-K223 WeakPolarHBondContact O-CG 3.22Å; V219-K223 PolarHBondContact O-N 3.28Å; V219-S298 WeakPolarHBondContact CG2-OXT 3.5Å
220	R	98.3	Very high	94.6	Very high	199 Å²	199	62.3 Å²	62.3	75%	0.751	31%	0.307	S	S	*	.	H	α-helix	trans	-61.9	-41.9	176	-178	177.3	178.8	167.6	0	111.3	S216 V217 I218 L224	S216-R220 VanDerWaalsContact O-CB 3.26Å; S216-R220 WeakPolarHBondContact O-CB 2.93Å; S216-R220 PolarHBondContact O-N 3.47Å; V217-R220 PolarHBondContact O-N 3.29Å; I218-R220 VanDerWaalsContact C-N 3.32Å; I218-R220 PolarHBondContact O-N 3.09Å; R220-L224 WeakPolarHBondContact O-CB 3.49Å; R220-L224 PolarHBondContact O-N 3.26Å
221	R	98.3	Very high	96	Very high	36 Å²	36	66.5 Å²	66.5	14%	0.136	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-46.2	178.5	-179.5	60.3	171.5	170.1	-5.2	111.7	P77 V217 I218 V219 L224 M225 N255 V256	P77-R221 PolarHBondContact O-NH2 2.94Å; V217-R221 VanDerWaalsContact O-CB 3.32Å; V217-R221 WeakPolarHBondContact O-CB 3.5Å; V217-R221 PolarHBondContact O-N 3.45Å; I218-R221 WeakPolarHBondContact O-CA 3.44Å; I218-R221 WeakPolarHBondContact O-CB 3.32Å; I218-R221 PolarHBondContact O-N 2.96Å; V219-R221 VanDerWaalsContact C-N 3.32Å; V219-R221 PolarHBondContact O-N 2.89Å; R221-L224 PolarHBondContact O-N 3.26Å; R221-M225 WeakPolarHBondContact O-CB 3.4Å; R221-M225 PolarHBondContact O-N 3.05Å; R221-N255 WeakPolarHBondContact CD-OD1 3.27Å; R221-N255 PolarHBondContact NE-OD1 3.05Å; R221-V256 HydrophobicContact CG-CB 4.05Å; R221-V256 HydrophobicContact CG-CG2 4.3Å; R221-V256 PolarHBondContact NE-O 3.13Å; R221-V256 PolarHBondContact NH2-O 2.88Å
222	L	98.7	Very high	96.8	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-44.5	176.6	-65.8	173.9	0	0	0	111.7	I218 V219 L224 M225 R226 L245 F247 V256 L291 L294 I295	I218-L222 HydrophobicContact CG2-CD1 3.98Å; I218-L222 HydrophobicContact CG2-CG 4.34Å; I218-L222 WeakPolarHBondContact O-CG 3.41Å; I218-L222 PolarHBondContact O-N 2.76Å; V219-L222 PolarHBondContact O-N 3.43Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-L224 PolarHBondContact O-N 3.19Å; L222-M225 WeakPolarHBondContact O-CB 3.37Å; L222-M225 PolarHBondContact O-N 2.84Å; L222-R226 PolarHBondContact O-N 2.93Å; L222-L245 HydrophobicContact CD2-CD1 3.92Å; L222-F247 HydrophobicContact CD1-CE1 4.23Å; L222-F247 HydrophobicContact CD1-CZ 3.92Å; L222-F247 HydrophobicContact CD2-CE2 4.36Å; L222-F247 HydrophobicContact CD2-CZ 3.89Å; L222-F247 HydrophobicContact CG-CZ 4.38Å; L222-V256 HydrophobicContact CD2-CB 4.41Å; L222-V256 HydrophobicContact CD2-CG1 4.06Å; L222-V256 HydrophobicContact CD2-CG2 4.22Å; L222-L291 HydrophobicContact CB-CD1 4.2Å; L222-L291 HydrophobicContact CD2-CD1 3.86Å; L222-L294 HydrophobicContact CD1-CG 4.24Å; L222-I295 HydrophobicContact CB-CD1 4.19Å; L222-I295 HydrophobicContact CB-CG1 3.61Å; L222-I295 HydrophobicContact CD1-CG1 4.28Å
223	K	98.8	Very high	97.1	Very high	107 Å²	107	61.2 Å²	61.2	47%	0.465	28%	0.282	S	S	.	.	H	α-helix	trans	-60.6	-40.6	175.4	-75.2	177.1	178.5	179.4	0	112.4	V219 A227 I295	V219-K223 HydrophobicContact CG1-CD 4.1Å; V219-K223 WeakPolarHBondContact O-CB 3.43Å; V219-K223 WeakPolarHBondContact O-CG 3.22Å; V219-K223 PolarHBondContact O-N 3.28Å; K223-A227 PolarHBondContact O-N 2.87Å; K223-A227 VanDerWaalsContact O-N 3.15Å; K223-I295 HydrophobicContact CD-CG2 4.5Å; K223-I295 HydrophobicContact CG-CD1 4.2Å; K223-I295 HydrophobicContact CG-CG2 3.96Å
224	L	98.7	Very high	97.3	Very high	88 Å²	88	55.3 Å²	55.3	46%	0.461	26%	0.26	S	S	.	.	H	α-helix	trans	-67.7	-41.2	176.4	-175.2	67.7	0	0	0	111.5	F78 R220 R221 L222 A227 K228	F78-L224 HydrophobicContact CE1-CD2 4.43Å; F78-L224 HydrophobicContact CE1-CG 4.38Å; F78-L224 HydrophobicContact CZ-CD2 4.01Å; F78-L224 HydrophobicContact CZ-CG 3.9Å; R220-L224 WeakPolarHBondContact O-CB 3.49Å; R220-L224 PolarHBondContact O-N 3.26Å; R221-L224 PolarHBondContact O-N 3.26Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-L224 PolarHBondContact O-N 3.19Å; L224-A227 PolarHBondContact O-N 3.09Å; L224-K228 WeakPolarHBondContact O-CG 3.32Å; L224-K228 PolarHBondContact O-N 3.22Å; L224-K228 VanDerWaalsContact O-N 3.08Å
225	M	98.6	Very high	97.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.7	-49.6	175.9	-171.4	-174.2	-73.1	0	0	110.7	F78 R221 L222 A227 K228 M229 L245 V256 M258	F78-M225 HydrophobicContact CB-CE 4.13Å; F78-M225 HydrophobicContact CB-CG 4.5Å; F78-M225 HydrophobicContact CD1-CB 3.63Å; F78-M225 HydrophobicContact CD1-CE 3.65Å; F78-M225 HydrophobicContact CD1-CG 3.65Å; F78-M225 HydrophobicContact CD1-SD 4.48Å; F78-M225 VanDerWaalsContact CE1-CA 3.43Å; F78-M225 HydrophobicContact CE1-CB 3.57Å; F78-M225 HydrophobicContact CE1-CG 4.08Å; F78-M225 HydrophobicContact CG-CE 4.31Å; F78-M225 HydrophobicContact CG-CG 4.13Å; F78-M225 HydrophobicContact CZ-CB 4.45Å; R221-M225 WeakPolarHBondContact O-CB 3.4Å; R221-M225 PolarHBondContact O-N 3.05Å; L222-M225 WeakPolarHBondContact O-CB 3.37Å; L222-M225 PolarHBondContact O-N 2.84Å; M225-A227 PolarHBondContact O-N 3.17Å; M225-K228 WeakPolarHBondContact O-CA 3.34Å; M225-K228 WeakPolarHBondContact O-CB 3.44Å; M225-K228 PolarHBondContact O-N 2.99Å; M225-M229 HydrophobicContact CG-CE 3.54Å; M225-M229 HydrophobicContact CG-CG 4.49Å; M225-M229 HydrophobicContact CG-SD 4.02Å; M225-M229 WeakPolarHBondContact O-CG 3.26Å; M225-M229 PolarHBondContact O-N 2.88Å; M225-M229 HydrophobicContact SD-CE 3.58Å; M225-M229 VanDerWaalsContact SD-CE 3.58Å; M225-L245 HydrophobicContact CE-CD2 3.88Å; M225-L245 HydrophobicContact SD-CD2 3.5Å; M225-L245 VanDerWaalsContact SD-CD2 3.5Å; M225-V256 HydrophobicContact CE-CB 4.32Å; M225-V256 HydrophobicContact CE-CG1 4.11Å; M225-M258 HydrophobicContact CE-CG 4.07Å; M225-M258 HydrophobicContact SD-CG 3.8Å; M225-M258 HydrophobicContact SD-SD 4.37Å
226	R	98.7	Very high	97.7	Very high	70 Å²	70	56.3 Å²	56.3	26%	0.264	27%	0.266	S	S	.	.	H	α-helix	trans	-52	-51.9	174.3	-178.5	175.7	68.9	-177	3.8	112.1	L222 K228 M229 E230 L288 L291 D292 I295	L222-R226 PolarHBondContact O-N 2.93Å; R226-K228 PolarHBondContact O-N 2.99Å; R226-M229 WeakPolarHBondContact O-CB 3.24Å; R226-M229 PolarHBondContact O-N 3.36Å; R226-E230 WeakPolarHBondContact O-CG 3.43Å; R226-E230 PolarHBondContact O-N 3.22Å; R226-L288 HydrophobicContact CG-CD2 4.12Å; R226-L291 HydrophobicContact CB-CD2 3.68Å; R226-L291 HydrophobicContact CB-CG 4.4Å; R226-L291 HydrophobicContact CG-CD2 4.3Å; R226-D292 WeakPolarHBondContact CD-OD1 3.19Å; R226-D292 IonicContact CZ-OD1 2.71Å; R226-D292 IonicContact NE-OD1 3.83Å; R226-D292 IonicContact NH1-OD1 3.1Å; R226-D292 PolarHBondContact NH1-OD1 3.41Å; R226-I295 HydrophobicContact CB-CD1 4.26Å
227	A	98.5	Very high	97.8	Very high	25 Å²	25	55.2 Å²	55.2	21%	0.207	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-26.9	-179.9	0	0	0	0	0	113	K223 L224 M225 R231	K223-A227 PolarHBondContact O-N 2.87Å; K223-A227 VanDerWaalsContact O-N 3.15Å; L224-A227 PolarHBondContact O-N 3.09Å; M225-A227 PolarHBondContact O-N 3.17Å; A227-R231 PolarHBondContact O-NE 2.87Å; A227-R231 VanDerWaalsContact O-NE 3.15Å; A227-R231 PolarHBondContact O-NH2 3.43Å
228	K	98.4	Very high	97.9	Very high	73 Å²	73	52.9 Å²	52.9	32%	0.317	24%	0.242	S	C	.	.	H	α-helix	trans	-79.8	-42.5	175.2	-71.8	-79	-176.4	175.1	0	111.3	L75 F78 L224 M225 R226 E230 R231 S232	L75-K228 HydrophobicContact CD2-CB 3.91Å; F78-K228 HydrophobicContact CE2-CB 3.94Å; F78-K228 HydrophobicContact CE2-CG 3.71Å; F78-K228 HydrophobicContact CZ-CB 4.32Å; F78-K228 HydrophobicContact CZ-CG 3.93Å; L224-K228 WeakPolarHBondContact O-CG 3.32Å; L224-K228 PolarHBondContact O-N 3.22Å; L224-K228 VanDerWaalsContact O-N 3.08Å; M225-K228 WeakPolarHBondContact O-CA 3.34Å; M225-K228 WeakPolarHBondContact O-CB 3.44Å; M225-K228 PolarHBondContact O-N 2.99Å; R226-K228 PolarHBondContact O-N 2.99Å; K228-E230 VanDerWaalsContact C-N 3.32Å; K228-E230 PolarHBondContact O-N 3.44Å; K228-R231 PolarHBondContact O-N 3.46Å; K228-R231 VanDerWaalsContact O-N 3.1Å; K228-S232 WeakPolarHBondContact O-CB 3.24Å; K228-S232 PolarHBondContact O-N 3.44Å
229	M	98.5	Very high	97.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.1	-46.3	173.1	-72.1	166.6	168	0	0	111.6	L75 M225 R226 R231 S232 F235 M258 Y287 L288 L291	L75-M229 HydrophobicContact CD1-CG 4.29Å; L75-M229 HydrophobicContact CD2-CG 3.74Å; M225-M229 HydrophobicContact CG-CE 3.54Å; M225-M229 HydrophobicContact CG-CG 4.49Å; M225-M229 HydrophobicContact CG-SD 4.02Å; M225-M229 WeakPolarHBondContact O-CG 3.26Å; M225-M229 PolarHBondContact O-N 2.88Å; M225-M229 HydrophobicContact SD-CE 3.58Å; M225-M229 VanDerWaalsContact SD-CE 3.58Å; R226-M229 WeakPolarHBondContact O-CB 3.24Å; R226-M229 PolarHBondContact O-N 3.36Å; M229-R231 PolarHBondContact O-N 3.37Å; M229-S232 WeakPolarHBondContact O-CB 3.3Å; M229-S232 PolarHBondContact O-N 2.95Å; M229-F235 HydrophobicContact CB-CD1 3.76Å; M229-F235 HydrophobicContact CB-CD2 4.42Å; M229-F235 HydrophobicContact CB-CE1 3.87Å; M229-F235 HydrophobicContact CB-CG 4.05Å; M229-F235 HydrophobicContact CB-CZ 4.27Å; M229-F235 HydrophobicContact CE-CE2 4.08Å; M229-F235 HydrophobicContact CE-CZ 4.35Å; M229-F235 HydrophobicContact CG-CD1 4.25Å; M229-F235 HydrophobicContact CG-CD2 4.06Å; M229-F235 HydrophobicContact CG-CE1 4.18Å; M229-F235 HydrophobicContact CG-CE2 4Å; M229-F235 HydrophobicContact CG-CG 4.2Å; M229-F235 HydrophobicContact CG-CZ 4.06Å; M229-F235 HydrophobicContact SD-CE1 4.43Å; M229-F235 HydrophobicContact SD-CE2 4.2Å; M229-F235 HydrophobicContact SD-CZ 3.98Å; M229-M258 HydrophobicContact CE-CE 3.47Å; M229-M258 VanDerWaalsContact CE-CE 3.47Å; M229-M258 HydrophobicContact CE-CG 3.97Å; M229-M258 HydrophobicContact CE-SD 3.33Å; M229-M258 WeakPolarHBondContact CE-SD 3.32Å; M229-Y287 HydrophobicContact CE-CD1 4.2Å; M229-Y287 HydrophobicContact CE-CE1 3.39Å; M229-Y287 HydrophobicContact SD-CD1 4.29Å; M229-Y287 HydrophobicContact SD-CE1 3.98Å; M229-L288 HydrophobicContact CB-CD2 4Å; M229-L288 HydrophobicContact SD-CD2 3.74Å; M229-L291 HydrophobicContact CE-CD2 4.48Å; M229-L291 HydrophobicContact SD-CD2 3.59Å; M229-L291 VanDerWaalsContact SD-CD2 3.59Å
230	E	98	Very high	97.9	Very high	72 Å²	72	52.3 Å²	52.3	34%	0.336	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.8	179.3	-71.9	170.4	162.8	0	0	114.6	R226 K228 K236 R275 L288	R226-E230 WeakPolarHBondContact O-CG 3.43Å; R226-E230 PolarHBondContact O-N 3.22Å; K228-E230 VanDerWaalsContact C-N 3.32Å; K228-E230 PolarHBondContact O-N 3.44Å; E230-K236 WeakPolarHBondContact O-CE 3.31Å; E230-K236 PolarHBondContact O-NZ 2.88Å; E230-R275 IonicContact OE1-CZ 3.63Å; E230-R275 IonicContact OE1-NH1 3.74Å; E230-R275 PolarHBondContact OE1-NH1 3.37Å; E230-R275 IonicContact OE1-NH2 2.68Å; E230-R275 PolarHBondContact OE1-NH2 2.88Å; E230-L288 HydrophobicContact CG-CD1 4.05Å
231	R	96.9	Very high	97.8	Very high	158 Å²	158	42.8 Å²	42.8	60%	0.596	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-10.3	177.3	-66.6	-177.5	-66.7	-116.8	-7.8	113.3	A227 K228 M229 V233	A227-R231 PolarHBondContact O-NE 2.87Å; A227-R231 VanDerWaalsContact O-NE 3.15Å; A227-R231 PolarHBondContact O-NH2 3.43Å; K228-R231 PolarHBondContact O-N 3.46Å; K228-R231 VanDerWaalsContact O-N 3.1Å; M229-R231 PolarHBondContact O-N 3.37Å; R231-V233 PolarHBondContact O-N 3.01Å
232	S	98.1	Very high	97.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.			trans	-71.2	124.8	-178.5	172	0	0	0	0	109.7	D73 K228 M229 M234 F235 K236	D73-S232 VanDerWaalsContact OD1-CB 3.3Å; D73-S232 WeakPolarHBondContact OD1-CB 3.36Å; D73-S232 PolarHBondContact OD1-OG 2.67Å; D73-S232 PolarHBondContact OD2-OG 2.79Å; K228-S232 WeakPolarHBondContact O-CB 3.24Å; K228-S232 PolarHBondContact O-N 3.44Å; M229-S232 WeakPolarHBondContact O-CB 3.3Å; M229-S232 PolarHBondContact O-N 2.95Å; S232-M234 VanDerWaalsContact C-N 3.34Å; S232-M234 PolarHBondContact OG-N 3.41Å; S232-F235 WeakPolarHBondContact OG-CB 3.29Å; S232-F235 PolarHBondContact OG-N 3.31Å; S232-K236 WeakPolarHBondContact O-CG 3.48Å; S232-K236 PolarHBondContact O-N 3.31Å
233	V	95.8	Very high	97.4	Very high	104 Å²	104	41.8 Å²	41.8	63%	0.63	20%	0.202	S	C	*	.	H	α-helix	trans	-69.5	-41.3	174.2	175.8	0	0	0	0	109.2	R231 F235 K236 T237	R231-V233 PolarHBondContact O-N 3.01Å; V233-F235 VanDerWaalsContact C-N 3.32Å; V233-F235 PolarHBondContact O-N 3.42Å; V233-K236 PolarHBondContact O-N 3.24Å; V233-T237 HydrophobicContact CG1-CG2 4.39Å; V233-T237 WeakPolarHBondContact O-CB 3.42Å; V233-T237 WeakPolarHBondContact O-CG2 3.35Å; V233-T237 PolarHBondContact O-N 3.44Å; V233-T237 VanDerWaalsContact O-N 3.17Å; V233-T237 PolarHBondContact O-OG1 3.13Å
234	M	96	Very high	97.3	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.049	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-46.7	177.8	-175.6	-82.7	173.3	0	0	110.4	K69 L70 D73 S232 T237 H238 F240 V264	K69-M234 HydrophobicContact CB-CG 4.04Å; L70-M234 HydrophobicContact CD1-CE 4.49Å; L70-M234 HydrophobicContact CD2-CE 4.32Å; L70-M234 HydrophobicContact CD2-SD 3.78Å; L70-M234 HydrophobicContact CG-CE 4.12Å; L70-M234 HydrophobicContact CG-SD 4.16Å; D73-M234 HydrophobicContact CB-CB 4.13Å; D73-M234 WeakPolarHBondContact OD2-CB 3.32Å; D73-M234 PolarHBondContact OD2-N 3.13Å; S232-M234 VanDerWaalsContact C-N 3.34Å; S232-M234 PolarHBondContact OG-N 3.41Å; M234-T237 PolarHBondContact O-N 2.93Å; M234-T237 PolarHBondContact O-OG1 3.08Å; M234-H238 HydrophobicContact CE-CB 4.14Å; M234-H238 WeakPolarHBondContact O-CB 3.41Å; M234-H238 PolarHBondContact O-N 3.13Å; M234-H238 PolarHBondContact O-ND1 3.41Å; M234-F240 HydrophobicContact CE-CE1 4.47Å; M234-F240 HydrophobicContact CE-CE2 3.79Å; M234-F240 HydrophobicContact CE-CZ 3.5Å; M234-F240 VanDerWaalsContact CE-CZ 3.5Å; M234-F240 HydrophobicContact SD-CE2 3.58Å; M234-F240 VanDerWaalsContact SD-CE2 3.58Å; M234-F240 HydrophobicContact SD-CZ 3.35Å; M234-F240 WeakPolarHBondContact SD-CZ 3.3Å; M234-V264 HydrophobicContact CE-CG1 3.57Å
235	F	98.1	Very high	97.3	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-58.4	-54.5	178.8	-157	-103.6	0	0	0	111.4	L75 M229 S232 V233 T237 H238 F240 M258 H274 Y287 L288	L75-F235 HydrophobicContact CD1-CB 4.01Å; L75-F235 HydrophobicContact CD1-CD2 3.86Å; L75-F235 HydrophobicContact CD1-CG 4.26Å; M229-F235 HydrophobicContact CB-CD1 3.76Å; M229-F235 HydrophobicContact CB-CD2 4.42Å; M229-F235 HydrophobicContact CB-CE1 3.87Å; M229-F235 HydrophobicContact CB-CG 4.05Å; M229-F235 HydrophobicContact CB-CZ 4.27Å; M229-F235 HydrophobicContact CE-CE2 4.08Å; M229-F235 HydrophobicContact CE-CZ 4.35Å; M229-F235 HydrophobicContact CG-CD1 4.25Å; M229-F235 HydrophobicContact CG-CD2 4.06Å; M229-F235 HydrophobicContact CG-CE1 4.18Å; M229-F235 HydrophobicContact CG-CE2 4Å; M229-F235 HydrophobicContact CG-CG 4.2Å; M229-F235 HydrophobicContact CG-CZ 4.06Å; M229-F235 HydrophobicContact SD-CE1 4.43Å; M229-F235 HydrophobicContact SD-CE2 4.2Å; M229-F235 HydrophobicContact SD-CZ 3.98Å; S232-F235 WeakPolarHBondContact OG-CB 3.29Å; S232-F235 PolarHBondContact OG-N 3.31Å; V233-F235 VanDerWaalsContact C-N 3.32Å; V233-F235 PolarHBondContact O-N 3.42Å; F235-T237 PolarHBondContact O-N 2.72Å; F235-H238 PolarHBondContact O-N 3.41Å; F235-H238 VanDerWaalsContact O-N 3.17Å; F235-H238 VanDerWaalsContact O-O 3.05Å; F235-F240 HydrophobicContact CB-CE2 4.46Å; F235-F240 HydrophobicContact CD2-CD1 4.39Å; F235-F240 AromaticContact CD2-CD2 3.67Å; F235-F240 HydrophobicContact CD2-CD2 3.67Å; F235-F240 HydrophobicContact CD2-CE1 4.15Å; F235-F240 AromaticContact CD2-CE2 3.4Å; F235-F240 HydrophobicContact CD2-CE2 3.4Å; F235-F240 VanDerWaalsContact CD2-CE2 3.4Å; F235-F240 HydrophobicContact CD2-CG 4.15Å; F235-F240 AromaticContact CD2-CZ 3.63Å; F235-F240 HydrophobicContact CD2-CZ 3.63Å; F235-F240 HydrophobicContact CE2-CB 4.37Å; F235-F240 HydrophobicContact CE2-CD1 4.03Å; F235-F240 AromaticContact CE2-CD2 3.71Å; F235-F240 HydrophobicContact CE2-CD2 3.71Å; F235-F240 HydrophobicContact CE2-CE1 4.19Å; F235-F240 AromaticContact CE2-CE2 3.9Å; F235-F240 HydrophobicContact CE2-CE2 3.9Å; F235-F240 AromaticContact CE2-CG 3.76Å; F235-F240 HydrophobicContact CE2-CG 3.76Å; F235-F240 HydrophobicContact CE2-CZ 4.1Å; F235-F240 HydrophobicContact CG-CD2 4.49Å; F235-F240 HydrophobicContact CG-CE2 4.2Å; F235-M258 HydrophobicContact CD2-CE 4.4Å; F235-M258 HydrophobicContact CE2-CE 4.04Å; F235-H274 AromaticContact CD1-CD2 3.37Å; F235-H274 WeakPolarHBondContact CD1-CD2 3.45Å; F235-H274 AromaticContact CD1-CE1 3.94Å; F235-H274 AromaticContact CD1-CG 3.95Å; F235-H274 AromaticContact CD1-NE2 3.34Å; F235-H274 VanDerWaalsContact CD1-NE2 3.34Å; F235-H274 WeakPolarHBondContact CD1-NE2 3.39Å; F235-H274 HydrophobicContact CE1-CB 3.87Å; F235-H274 AromaticContact CE1-CD2 3.26Å; F235-H274 WeakPolarHBondContact CE1-CD2 3.5Å; F235-H274 AromaticContact CE1-CE1 3.82Å; F235-H274 AromaticContact CE1-CG 3.35Å; F235-H274 AromaticContact CE1-ND1 3.73Å; F235-H274 AromaticContact CE1-NE2 3.55Å; F235-H274 HydrophobicContact CZ-CB 4.46Å; F235-H274 PolarHBondContact O-CE1 2.95Å; F235-H274 VanDerWaalsContact O-CE1 3.26Å; F235-H274 PolarHBondContact O-NE2 2.91Å; F235-Y287 HydrophobicContact CE2-CD1 4.24Å; F235-Y287 HydrophobicContact CE2-CG 4.36Å; F235-Y287 AromaticContact CZ-CD1 3.65Å; F235-Y287 HydrophobicContact CZ-CD1 3.65Å; F235-Y287 HydrophobicContact CZ-CE1 4.28Å; F235-Y287 AromaticContact CZ-CG 3.81Å; F235-Y287 HydrophobicContact CZ-CG 3.81Å; F235-L288 HydrophobicContact CE1-CD1 4.04Å; F235-L288 HydrophobicContact CE1-CD2 4.29Å; F235-L288 HydrophobicContact CE1-CG 3.82Å; F235-L288 HydrophobicContact CZ-CG 4.41Å
236	K	97.9	Very high	97.3	Very high	86 Å²	86	33.6 Å²	33.6	37%	0.374	16%	0.164	S	C	.	.	H	α-helix	trans	-60.1	-18.4	-179.8	-70.5	178.7	-178.2	179.9	0	115.6	E230 S232 V233 A271 L272	E230-K236 WeakPolarHBondContact O-CE 3.31Å; E230-K236 PolarHBondContact O-NZ 2.88Å; S232-K236 WeakPolarHBondContact O-CG 3.48Å; S232-K236 PolarHBondContact O-N 3.31Å; V233-K236 PolarHBondContact O-N 3.24Å; K236-A271 CarbonylContact O-C 3.56Å; K236-A271 VanDerWaalsContact O-CA 3.28Å; K236-A271 WeakPolarHBondContact O-CA 3.25Å; K236-L272 PolarHBondContact O-N 2.92Å
237	T	97.4	Very high	97.2	Very high	48 Å²	48	30.2 Å²	30.2	29%	0.294	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	6.7	-175	55.4	0	0	0	0	112.8	V233 M234 F235 P266 V267	V233-T237 HydrophobicContact CG1-CG2 4.39Å; V233-T237 WeakPolarHBondContact O-CB 3.42Å; V233-T237 WeakPolarHBondContact O-CG2 3.35Å; V233-T237 PolarHBondContact O-N 3.44Å; V233-T237 VanDerWaalsContact O-N 3.17Å; V233-T237 PolarHBondContact O-OG1 3.13Å; M234-T237 PolarHBondContact O-N 2.93Å; M234-T237 PolarHBondContact O-OG1 3.08Å; F235-T237 PolarHBondContact O-N 2.72Å; T237-P266 CarbonylContact O-C 3.46Å; T237-P266 VanDerWaalsContact O-CA 3.31Å; T237-P266 WeakPolarHBondContact O-CA 3.39Å; T237-V267 PolarHBondContact O-N 3.4Å
238	H	97.8	Very high	97.1	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.037	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138	-179.6	-66.4	64.6	0	0	0	110.6	K69 M234 F235 F240 V264 F265 P266 H274	K69-H238 WeakPolarHBondContact CD-NE2 3.29Å; K69-H238 PolarHBondContact NZ-NE2 3.2Å; M234-H238 HydrophobicContact CE-CB 4.14Å; M234-H238 WeakPolarHBondContact O-CB 3.41Å; M234-H238 PolarHBondContact O-N 3.13Å; M234-H238 PolarHBondContact O-ND1 3.41Å; F235-H238 PolarHBondContact O-N 3.41Å; F235-H238 VanDerWaalsContact O-N 3.17Å; F235-H238 VanDerWaalsContact O-O 3.05Å; H238-F240 HydrophobicContact CB-CD2 4.27Å; H238-F240 HydrophobicContact CB-CE2 3.98Å; H238-F240 WeakPolarHBondContact O-CD2 3.38Å; H238-V264 HydrophobicContact CB-CG1 3.96Å; H238-F265 CarbonylContact C-O 3.48Å; H238-F265 WeakPolarHBondContact CA-O 3.32Å; H238-F265 WeakPolarHBondContact CB-O 3.25Å; H238-P266 VanDerWaalsContact CD2-N 3.28Å; H238-H274 PolarHBondContact O-CE1 3.25Å; H238-H274 VanDerWaalsContact O-CE1 3.26Å
239	E	97.3	Very high	97	Very high	13 Å²	13	26.7 Å²	26.7	6%	0.061	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132	165.9	62.8	178.1	153.9	0	0	109.5	R116 L119 I241 V264 F265 V267 L272 H283	R116-E239 IonicContact CZ-OE2 2.78Å; R116-E239 IonicContact NH1-OE2 3.79Å; R116-E239 PolarHBondContact NH1-OE2 3.34Å; R116-E239 IonicContact NH2-OE2 3.97Å; R116-E239 PolarHBondContact NH2-OE2 3.29Å; L119-E239 HydrophobicContact CD2-CG 4.22Å; L119-E239 VanDerWaalsContact CD2-OE1 3.32Å; L119-E239 WeakPolarHBondContact CD2-OE1 3.32Å; E239-I241 HydrophobicContact CB-CG1 4.26Å; E239-I241 HydrophobicContact CG-CG1 4.16Å; E239-I241 PolarHBondContact O-N 2.81Å; E239-V264 VanDerWaalsContact O-CA 3.25Å; E239-V264 WeakPolarHBondContact O-CA 3.23Å; E239-F265 HydrophobicContact CG-CB 4.34Å; E239-F265 PolarHBondContact N-O 2.88Å; E239-F265 PolarHBondContact O-N 3.47Å; E239-V267 HydrophobicContact CB-CG2 4.13Å; E239-V267 HydrophobicContact CG-CG2 4.26Å; E239-L272 HydrophobicContact CB-CD1 4.07Å; E239-H283 IonicContact OE1-ND1 2.63Å
240	F	97.5	Very high	96.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	55.4	-175.6	-92.6	-102.1	0	0	0	113.2	M234 F235 H238 S243 M258 F261 V264 D285 Y287	M234-F240 HydrophobicContact CE-CE1 4.47Å; M234-F240 HydrophobicContact CE-CE2 3.79Å; M234-F240 HydrophobicContact CE-CZ 3.5Å; M234-F240 VanDerWaalsContact CE-CZ 3.5Å; M234-F240 HydrophobicContact SD-CE2 3.58Å; M234-F240 VanDerWaalsContact SD-CE2 3.58Å; M234-F240 HydrophobicContact SD-CZ 3.35Å; M234-F240 WeakPolarHBondContact SD-CZ 3.3Å; F235-F240 HydrophobicContact CB-CE2 4.46Å; F235-F240 HydrophobicContact CD2-CD1 4.39Å; F235-F240 AromaticContact CD2-CD2 3.67Å; F235-F240 HydrophobicContact CD2-CD2 3.67Å; F235-F240 HydrophobicContact CD2-CE1 4.15Å; F235-F240 AromaticContact CD2-CE2 3.4Å; F235-F240 HydrophobicContact CD2-CE2 3.4Å; F235-F240 VanDerWaalsContact CD2-CE2 3.4Å; F235-F240 HydrophobicContact CD2-CG 4.15Å; F235-F240 AromaticContact CD2-CZ 3.63Å; F235-F240 HydrophobicContact CD2-CZ 3.63Å; F235-F240 HydrophobicContact CE2-CB 4.37Å; F235-F240 HydrophobicContact CE2-CD1 4.03Å; F235-F240 AromaticContact CE2-CD2 3.71Å; F235-F240 HydrophobicContact CE2-CD2 3.71Å; F235-F240 HydrophobicContact CE2-CE1 4.19Å; F235-F240 AromaticContact CE2-CE2 3.9Å; F235-F240 HydrophobicContact CE2-CE2 3.9Å; F235-F240 AromaticContact CE2-CG 3.76Å; F235-F240 HydrophobicContact CE2-CG 3.76Å; F235-F240 HydrophobicContact CE2-CZ 4.1Å; F235-F240 HydrophobicContact CG-CD2 4.49Å; F235-F240 HydrophobicContact CG-CE2 4.2Å; H238-F240 HydrophobicContact CB-CD2 4.27Å; H238-F240 HydrophobicContact CB-CE2 3.98Å; H238-F240 WeakPolarHBondContact O-CD2 3.38Å; F240-S243 PolarHBondContact O-OG 2.86Å; F240-S243 VanDerWaalsContact O-OG 3.1Å; F240-M258 HydrophobicContact CD1-CE 3.83Å; F240-M258 HydrophobicContact CE1-CE 3.44Å; F240-M258 VanDerWaalsContact CE1-CE 3.44Å; F240-M258 HydrophobicContact CZ-CE 4.25Å; F240-F261 HydrophobicContact CE1-CD1 4.22Å; F240-F261 HydrophobicContact CE1-CE1 4.19Å; F240-V264 HydrophobicContact CD1-CG1 4.15Å; F240-V264 HydrophobicContact CD1-CG2 3.74Å; F240-V264 HydrophobicContact CD2-CG1 3.95Å; F240-V264 HydrophobicContact CE1-CG1 4.02Å; F240-V264 HydrophobicContact CE1-CG2 4.07Å; F240-V264 HydrophobicContact CE2-CG1 3.78Å; F240-V264 HydrophobicContact CG-CG1 4.14Å; F240-V264 HydrophobicContact CG-CG2 4.15Å; F240-V264 HydrophobicContact CZ-CG1 3.85Å; F240-D285 PolarHBondContact N-OD2 2.7Å; F240-Y287 HydrophobicContact CB-CD2 3.74Å; F240-Y287 HydrophobicContact CB-CE2 4.26Å; F240-Y287 HydrophobicContact CB-CG 4.46Å
241	I	95.5	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	137.4	-173.2	-61	-61	0	0	0	112.5	R116 L119 E239 S243 K263 D285	R116-I241 HydrophobicContact CB-CD1 4.27Å; R116-I241 HydrophobicContact CG-CD1 4.16Å; R116-I241 WeakPolarHBondContact O-CD1 3.49Å; L119-I241 HydrophobicContact CD2-CB 3.98Å; L119-I241 HydrophobicContact CD2-CG1 4.03Å; L119-I241 HydrophobicContact CD2-CG2 4.32Å; L119-I241 HydrophobicContact CG-CG2 4.43Å; E239-I241 HydrophobicContact CB-CG1 4.26Å; E239-I241 HydrophobicContact CG-CG1 4.16Å; E239-I241 PolarHBondContact O-N 2.81Å; I241-S243 PolarHBondContact O-N 2.8Å; I241-K263 HydrophobicContact CB-CB 4.2Å; I241-K263 HydrophobicContact CG2-CB 4.27Å; I241-K263 HydrophobicContact CG2-CD 4.13Å; I241-K263 VanDerWaalsContact O-CB 3.24Å; I241-K263 WeakPolarHBondContact O-CB 3.45Å; I241-D285 HydrophobicContact CD1-CB 3.63Å
242	G	92.7	Very high	96.2	Very high	15 Å²	15	29.1 Å²	29.1	16%	0.155	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	-4.9	171.4	0	0	0	0	0	115.4	K112	K112-G242 PolarHBondContact NZ-O 3.44Å
243	S	96.2	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.			trans	-70.2	159.6	176	65.8	0	0	0	0	112.2	M113 F240 I241 I259 D260 Y287	M113-S243 PolarHBondContact N-O 3.3Å; F240-S243 PolarHBondContact O-OG 2.86Å; F240-S243 VanDerWaalsContact O-OG 3.1Å; I241-S243 PolarHBondContact O-N 2.8Å; S243-I259 WeakPolarHBondContact CA-O 3.37Å; S243-I259 VanDerWaalsContact CB-O 3.31Å; S243-I259 WeakPolarHBondContact CB-O 3.36Å; S243-D260 VanDerWaalsContact CA-O 3.24Å; S243-D260 WeakPolarHBondContact CA-O 3.49Å; S243-D260 WeakPolarHBondContact CB-O 3.07Å; S243-Y287 VanDerWaalsContact OG-CE2 3.3Å; S243-Y287 WeakPolarHBondContact OG-CE2 3.49Å
244	S	97.8	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	159.3	-175.4	-76.1	0	0	0	0	111.8	D110 I111 K112 M258 I259	D110-S244 WeakPolarHBondContact OD1-CB 3.4Å; D110-S244 PolarHBondContact OD1-OG 3.35Å; I111-S244 CarbonylContact O-C 3.58Å; I111-S244 WeakPolarHBondContact O-CA 3.21Å; I111-S244 WeakPolarHBondContact O-CB 3.4Å; K112-S244 WeakPolarHBondContact CA-OG 2.99Å; S244-M258 CarbonylContact O-C 3.5Å; S244-M258 WeakPolarHBondContact O-CA 3.28Å; S244-I259 PolarHBondContact N-O 2.78Å; S244-I259 PolarHBondContact O-N 3.46Å
245	L	98.5	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.1	161.1	-66.5	-179.9	0	0	0	109.3	I111 M113 L222 M225 F247 V256 W257 M258 Y287 L291 L294	I111-L245 PolarHBondContact N-O 2.85Å; I111-L245 PolarHBondContact O-N 3.15Å; M113-L245 HydrophobicContact CE-CD1 4.08Å; M113-L245 HydrophobicContact CG-CB 4.46Å; M113-L245 HydrophobicContact CG-CD1 4.14Å; M113-L245 HydrophobicContact CG-CG 3.75Å; M113-L245 HydrophobicContact SD-CB 4.46Å; M113-L245 HydrophobicContact SD-CD1 3.73Å; M113-L245 HydrophobicContact SD-CG 3.93Å; L222-L245 HydrophobicContact CD2-CD1 3.92Å; M225-L245 HydrophobicContact CE-CD2 3.88Å; M225-L245 HydrophobicContact SD-CD2 3.5Å; M225-L245 VanDerWaalsContact SD-CD2 3.5Å; L245-F247 HydrophobicContact CB-CD2 4.14Å; L245-F247 HydrophobicContact CB-CE2 3.71Å; L245-F247 HydrophobicContact CD1-CE2 4.33Å; L245-V256 HydrophobicContact CB-CG1 3.91Å; L245-V256 HydrophobicContact CD2-CG1 4.2Å; L245-V256 HydrophobicContact CG-CG1 4.43Å; L245-W257 CarbonylContact C-O 3.11Å; L245-W257 VanDerWaalsContact CA-O 3.32Å; L245-W257 WeakPolarHBondContact CA-O 3.47Å; L245-M258 HydrophobicContact CD2-CB 4.32Å; L245-M258 HydrophobicContact CD2-CG 3.73Å; L245-Y287 VanDerWaalsContact CD2-OH 3.25Å; L245-Y287 WeakPolarHBondContact CD2-OH 3.24Å; L245-L291 HydrophobicContact CD1-CD1 4.04Å; L245-L294 HydrophobicContact CD1-CD2 3.8Å
246	L	97.6	Very high	96.1	Very high	22 Å²	22	31 Å²	31	12%	0.115	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	106.3	176.7	-167	70.9	0	0	0	109.5	L37 L99 I108 D110 M248 V256 W257 I259	L37-L246 HydrophobicContact CD1-CD1 4.45Å; L99-L246 HydrophobicContact CD1-CD2 4.35Å; I108-L246 HydrophobicContact CG2-CD1 3.58Å; I108-L246 HydrophobicContact CG2-CG 4.1Å; D110-L246 HydrophobicContact CB-CD1 4.4Å; L246-M248 HydrophobicContact CD2-CE 3.98Å; L246-M248 HydrophobicContact CD2-SD 4.16Å; L246-M248 HydrophobicContact CG-CG 4.34Å; L246-V256 WeakPolarHBondContact O-CA 3.42Å; L246-W257 PolarHBondContact N-O 2.82Å; L246-W257 PolarHBondContact O-N 3.16Å; L246-W257 VanDerWaalsContact O-N 3.1Å; L246-I259 HydrophobicContact CB-CD1 3.95Å; L246-I259 HydrophobicContact CB-CG1 4.23Å; L246-I259 HydrophobicContact CB-CG2 4.09Å; L246-I259 HydrophobicContact CD1-CD1 4.11Å; L246-I259 HydrophobicContact CD2-CD1 4.43Å; L246-I259 HydrophobicContact CD2-CG2 4.45Å; L246-I259 HydrophobicContact CG-CD1 4.39Å
247	F	97.3	Very high	96.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.2	176.4	-74.9	-128.9	0	0	0	108.1	I108 M109 I111 F206 I218 L222 L245 V256 L294	I108-F247 CarbonylContact C-O 3.52Å; I108-F247 VanDerWaalsContact CA-O 3.31Å; I108-F247 WeakPolarHBondContact CA-O 3.33Å; M109-F247 HydrophobicContact CB-CB 4.13Å; M109-F247 PolarHBondContact N-O 3.26Å; M109-F247 PolarHBondContact O-N 2.89Å; I111-F247 HydrophobicContact CD1-CD2 4.05Å; I111-F247 HydrophobicContact CD1-CE1 4.48Å; I111-F247 HydrophobicContact CD1-CE2 3.66Å; I111-F247 HydrophobicContact CD1-CZ 3.91Å; I111-F247 HydrophobicContact CG1-CD2 4.33Å; I111-F247 HydrophobicContact CG1-CE2 4.26Å; F206-F247 HydrophobicContact CE1-CB 3.97Å; F206-F247 HydrophobicContact CZ-CB 4.25Å; I218-F247 HydrophobicContact CD1-CD1 4.1Å; I218-F247 HydrophobicContact CG2-CD1 3.7Å; I218-F247 HydrophobicContact CG2-CE1 3.29Å; I218-F247 HydrophobicContact CG2-CZ 4.26Å; L222-F247 HydrophobicContact CD1-CE1 4.23Å; L222-F247 HydrophobicContact CD1-CZ 3.92Å; L222-F247 HydrophobicContact CD2-CE2 4.36Å; L222-F247 HydrophobicContact CD2-CZ 3.89Å; L222-F247 HydrophobicContact CG-CZ 4.38Å; L245-F247 HydrophobicContact CB-CD2 4.14Å; L245-F247 HydrophobicContact CB-CE2 3.71Å; L245-F247 HydrophobicContact CD1-CE2 4.33Å; F247-V256 HydrophobicContact CD1-CG2 4.02Å; F247-V256 HydrophobicContact CD2-CG1 3.75Å; F247-V256 HydrophobicContact CD2-CG2 4.18Å; F247-V256 HydrophobicContact CE1-CG2 4.16Å; F247-V256 HydrophobicContact CE2-CG1 3.72Å; F247-V256 HydrophobicContact CE2-CG2 4.26Å; F247-V256 HydrophobicContact CG-CG1 4.38Å; F247-V256 HydrophobicContact CG-CG2 4.02Å; F247-V256 HydrophobicContact CZ-CG1 4.36Å; F247-V256 HydrophobicContact CZ-CG2 4.25Å; F247-L294 HydrophobicContact CE2-CD2 4.06Å; F247-L294 HydrophobicContact CZ-CD1 4.35Å; F247-L294 HydrophobicContact CZ-CD2 3.77Å; F247-L294 HydrophobicContact CZ-CG 4.2Å
248	M	95.8	Very high	96.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.9	173.5	-67.9	-169.9	-70.5	0	0	111.4	L99 T100 F103 A107 I108 L246 A254 N255 W257	L99-M248 HydrophobicContact CB-CE 3.51Å; T100-M248 HydrophobicContact CG2-SD 4.13Å; F103-M248 HydrophobicContact CD2-CB 4.27Å; F103-M248 HydrophobicContact CD2-CE 4.27Å; F103-M248 HydrophobicContact CD2-SD 4.43Å; F103-M248 HydrophobicContact CE1-CB 4.09Å; F103-M248 HydrophobicContact CE2-CB 3.75Å; F103-M248 HydrophobicContact CE2-CE 3.76Å; F103-M248 HydrophobicContact CE2-SD 4.33Å; F103-M248 HydrophobicContact CZ-CB 3.65Å; A107-M248 VanDerWaalsContact O-CA 3.29Å; A107-M248 WeakPolarHBondContact O-CA 3.49Å; I108-M248 HydrophobicContact CB-CG 4.2Å; I108-M248 HydrophobicContact CD1-SD 4.2Å; I108-M248 HydrophobicContact CG1-CG 3.99Å; I108-M248 HydrophobicContact CG1-SD 4.09Å; I108-M248 HydrophobicContact CG2-CG 3.79Å; I108-M248 HydrophobicContact CG2-SD 4.18Å; L246-M248 HydrophobicContact CD2-CE 3.98Å; L246-M248 HydrophobicContact CD2-SD 4.16Å; L246-M248 HydrophobicContact CG-CG 4.34Å; M248-A254 CarbonylContact O-C 3.51Å; M248-A254 WeakPolarHBondContact O-CA 3.47Å; M248-N255 PolarHBondContact N-O 2.89Å; M248-N255 PolarHBondContact O-N 2.73Å; M248-W257 HydrophobicContact CB-CZ3 4.28Å; M248-W257 HydrophobicContact CE-CE3 3.71Å; M248-W257 HydrophobicContact CE-CH2 4.16Å; M248-W257 HydrophobicContact CE-CZ3 3.41Å; M248-W257 VanDerWaalsContact CE-CZ3 3.41Å
249	Y	95.5	Very high	96.1	Very high	22 Å²	22	25.9 Å²	25.9	9%	0.086	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	154.9	170	79.6	-91	0	0	0	111.8	P106 A107 Q182 F206 V214 H253	P106-Y249 CarbonylContact C-O 3.52Å; P106-Y249 VanDerWaalsContact CA-O 3.24Å; P106-Y249 WeakPolarHBondContact CA-O 3.46Å; A107-Y249 HydrophobicContact CB-CD1 3.86Å; A107-Y249 HydrophobicContact CB-CE1 3.33Å; A107-Y249 HydrophobicContact CB-CE2 4.2Å; A107-Y249 HydrophobicContact CB-CG 4.48Å; A107-Y249 VanDerWaalsContact CB-CZ 3.49Å; A107-Y249 PolarHBondContact N-O 3.37Å; A107-Y249 PolarHBondContact O-N 3.29Å; A107-Y249 VanDerWaalsContact O-N 3.07Å; Q182-Y249 HydrophobicContact CG-CE2 4.48Å; F206-Y249 HydrophobicContact CD1-CE1 4.38Å; F206-Y249 HydrophobicContact CD2-CE1 4.34Å; F206-Y249 AromaticContact CE1-CD1 3.99Å; F206-Y249 HydrophobicContact CE1-CD1 3.99Å; F206-Y249 HydrophobicContact CE1-CE1 4.02Å; F206-Y249 HydrophobicContact CE2-CD1 4.44Å; F206-Y249 HydrophobicContact CE2-CE1 4.02Å; F206-Y249 AromaticContact CZ-CD1 3.84Å; F206-Y249 HydrophobicContact CZ-CD1 3.84Å; F206-Y249 AromaticContact CZ-CE1 3.84Å; F206-Y249 HydrophobicContact CZ-CE1 3.84Å; F206-Y249 VanDerWaalsContact O-CE1 3.26Å; F206-Y249 WeakPolarHBondContact O-CE1 3.33Å; F206-Y249 PolarHBondContact O-OH 3.42Å; V214-Y249 HydrophobicContact CG1-CD1 3.98Å; V214-Y249 HydrophobicContact CG1-CD2 4.35Å; V214-Y249 HydrophobicContact CG1-CG 3.82Å; V214-Y249 HydrophobicContact CG2-CD2 3.83Å; V214-Y249 HydrophobicContact CG2-CE2 4.47Å; V214-Y249 HydrophobicContact CG2-CG 4.07Å; Y249-H253 CarbonylContact C-O 3.19Å; Y249-H253 WeakPolarHBondContact CA-O 3.48Å; Y249-H253 WeakPolarHBondContact CB-O 3.4Å
250	D	93.6	Very high	96	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	14%	0.135	C	C	.	.			trans	-133.8	-165.6	167	69	17.7	0	0	0	110.1	F103 T104 K252 H253	F103-D250 WeakPolarHBondContact CA-OD2 3.25Å; F103-D250 HydrophobicContact CB-CB 4.34Å; F103-D250 WeakPolarHBondContact CB-OD2 3.42Å; F103-D250 HydrophobicContact CD1-CB 4.19Å; T104-D250 PolarHBondContact N-OD2 2.71Å; T104-D250 WeakPolarHBondContact O-CB 3.41Å; D250-K252 PolarHBondContact O-N 3.38Å; D250-K252 VanDerWaalsContact O-N 3.1Å; D250-K252 WeakPolarHBondContact OD1-CA 3.35Å; D250-K252 PolarHBondContact OD1-N 2.83Å; D250-H253 PolarHBondContact N-O 3.46Å; D250-H253 IonicContact OD1-CG 3.46Å; D250-H253 PolarHBondContact OD1-N 2.87Å; D250-H253 IonicContact OD1-ND1 3.44Å; D250-H253 PolarHBondContact OD1-ND1 3.27Å; D250-H253 IonicContact OD2-ND1 3.71Å; D250-H253 PolarHBondContact OD2-ND1 2.76Å
251	D	91.1	Very high	95.9	Very high	120 Å²	120	26.8 Å²	26.8	64%	0.642	14%	0.135	S	C	*	.	S	Bend	trans	-65.7	-11.8	-178.6	-60.9	-15	0	0	0	113.9	Q182 R213	Q182-D251 PolarHBondContact NE2-OD1 2.79Å; R213-D251 PolarHBondContact NH1-O 2.76Å; R213-D251 PolarHBondContact NH2-O 2.67Å
252	K	91.8	Very high	95.7	Very high	157 Å²	157	28 Å²	28	68%	0.683	15%	0.146	S	C	*	.	S	Bend	trans	-123.8	-36.8	-175.3	-65.1	-179.6	-177.7	175.5	0	113.5	D250	D250-K252 PolarHBondContact O-N 3.38Å; D250-K252 VanDerWaalsContact O-N 3.1Å; D250-K252 WeakPolarHBondContact OD1-CA 3.35Å; D250-K252 PolarHBondContact OD1-N 2.83Å
253	H	95	Very high	95.7	Very high	97 Å²	97	29.4 Å²	29.4	45%	0.449	15%	0.147	S	C	.	.			trans	-124.5	151.5	-167.4	-48	110.4	0	0	0	111.1	H102 F103 Y249 D250	H102-H253 PolarHBondContact O-ND1 2.95Å; F103-H253 HydrophobicContact CD1-CB 3.88Å; F103-H253 HydrophobicContact CE1-CB 3.7Å; Y249-H253 CarbonylContact C-O 3.19Å; Y249-H253 WeakPolarHBondContact CA-O 3.48Å; Y249-H253 WeakPolarHBondContact CB-O 3.4Å; D250-H253 PolarHBondContact N-O 3.46Å; D250-H253 IonicContact OD1-CG 3.46Å; D250-H253 PolarHBondContact OD1-N 2.87Å; D250-H253 IonicContact OD1-ND1 3.44Å; D250-H253 PolarHBondContact OD1-ND1 3.27Å; D250-H253 IonicContact OD2-ND1 3.71Å; D250-H253 PolarHBondContact OD2-ND1 2.76Å
254	A	95.9	Very high	95.7	Very high	15 Å²	15	29.4 Å²	29.4	12%	0.124	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	137.5	169	0	0	0	0	0	108.3	V214 V217 I218 M248	V214-A254 HydrophobicContact CG1-CB 4.12Å; V214-A254 HydrophobicContact CG2-CB 4.44Å; V217-A254 HydrophobicContact CB-CB 4.13Å; V217-A254 HydrophobicContact CG1-CB 3.9Å; V217-A254 WeakPolarHBondContact CG1-O 3.27Å; I218-A254 HydrophobicContact CD1-CB 4.28Å; I218-A254 HydrophobicContact CG1-CB 4.38Å; M248-A254 CarbonylContact O-C 3.51Å; M248-A254 WeakPolarHBondContact O-CA 3.47Å
255	N	97.4	Very high	95.6	Very high	44 Å²	44	32.2 Å²	32.2	24%	0.235	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	167.6	-178.6	-158.8	-4.9	0	0	0	111.3	F103 R221 M248 W257	F103-N255 HydrophobicContact CZ-CB 4.1Å; R221-N255 WeakPolarHBondContact CD-OD1 3.27Å; R221-N255 PolarHBondContact NE-OD1 3.05Å; M248-N255 PolarHBondContact N-O 2.89Å; M248-N255 PolarHBondContact O-N 2.73Å; N255-W257 HydrophobicContact CB-CE3 4.25Å; N255-W257 HydrophobicContact CB-CH2 3.4Å; N255-W257 HydrophobicContact CB-CZ2 4.08Å; N255-W257 HydrophobicContact CB-CZ3 3.49Å; N255-W257 VanDerWaalsContact CB-CZ3 3.49Å; N255-W257 WeakPolarHBondContact ND2-CH2 3.32Å; N255-W257 WeakPolarHBondContact ND2-CZ2 3.31Å
256	V	98.3	Very high	95.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.8	179.4	-170.5	0	0	0	0	109.3	I218 R221 L222 M225 L245 L246 F247	I218-V256 HydrophobicContact CD1-CG2 3.47Å; I218-V256 VanDerWaalsContact CD1-CG2 3.47Å; I218-V256 HydrophobicContact CG2-CG2 4.13Å; R221-V256 HydrophobicContact CG-CB 4.05Å; R221-V256 HydrophobicContact CG-CG2 4.3Å; R221-V256 PolarHBondContact NE-O 3.13Å; R221-V256 PolarHBondContact NH2-O 2.88Å; L222-V256 HydrophobicContact CD2-CB 4.41Å; L222-V256 HydrophobicContact CD2-CG1 4.06Å; L222-V256 HydrophobicContact CD2-CG2 4.22Å; M225-V256 HydrophobicContact CE-CB 4.32Å; M225-V256 HydrophobicContact CE-CG1 4.11Å; L245-V256 HydrophobicContact CB-CG1 3.91Å; L245-V256 HydrophobicContact CD2-CG1 4.2Å; L245-V256 HydrophobicContact CG-CG1 4.43Å; L246-V256 WeakPolarHBondContact O-CA 3.42Å; F247-V256 HydrophobicContact CD1-CG2 4.02Å; F247-V256 HydrophobicContact CD2-CG1 3.75Å; F247-V256 HydrophobicContact CD2-CG2 4.18Å; F247-V256 HydrophobicContact CE1-CG2 4.16Å; F247-V256 HydrophobicContact CE2-CG1 3.72Å; F247-V256 HydrophobicContact CE2-CG2 4.26Å; F247-V256 HydrophobicContact CG-CG1 4.38Å; F247-V256 HydrophobicContact CG-CG2 4.02Å; F247-V256 HydrophobicContact CZ-CG1 4.36Å; F247-V256 HydrophobicContact CZ-CG2 4.25Å
257	W	98.6	Very high	95.3	Very high	14 Å²	14	34.8 Å²	34.8	5%	0.053	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.6	174.3	-68.4	-97.5	0	0	0	111.6	F78 L99 F103 L245 L246 M248 N255 I259	F78-W257 CarbonylContact O-C 3.57Å; F78-W257 VanDerWaalsContact O-CA 3.23Å; F78-W257 WeakPolarHBondContact O-CA 3.31Å; L99-W257 HydrophobicContact CD1-CB 3.63Å; L99-W257 HydrophobicContact CD1-CD2 3.85Å; L99-W257 HydrophobicContact CD1-CE3 4.32Å; L99-W257 HydrophobicContact CD1-CG 3.54Å; L99-W257 HydrophobicContact CD2-CD2 4.02Å; L99-W257 HydrophobicContact CD2-CG 3.99Å; L99-W257 HydrophobicContact CD2-CZ2 4.23Å; L99-W257 HydrophobicContact CG-CD2 4.4Å; L99-W257 HydrophobicContact CG-CG 4.37Å; F103-W257 AromaticContact CE2-CH2 3.38Å; F103-W257 HydrophobicContact CE2-CH2 3.38Å; F103-W257 AromaticContact CE2-CZ3 3.61Å; F103-W257 HydrophobicContact CE2-CZ3 3.61Å; F103-W257 AromaticContact CZ-CH2 3.53Å; F103-W257 HydrophobicContact CZ-CH2 3.53Å; F103-W257 AromaticContact CZ-CZ3 3.66Å; F103-W257 HydrophobicContact CZ-CZ3 3.66Å; L245-W257 CarbonylContact C-O 3.11Å; L245-W257 VanDerWaalsContact CA-O 3.32Å; L245-W257 WeakPolarHBondContact CA-O 3.47Å; L246-W257 PolarHBondContact N-O 2.82Å; L246-W257 PolarHBondContact O-N 3.16Å; L246-W257 VanDerWaalsContact O-N 3.1Å; M248-W257 HydrophobicContact CB-CZ3 4.28Å; M248-W257 HydrophobicContact CE-CE3 3.71Å; M248-W257 HydrophobicContact CE-CH2 4.16Å; M248-W257 HydrophobicContact CE-CZ3 3.41Å; M248-W257 VanDerWaalsContact CE-CZ3 3.41Å; N255-W257 HydrophobicContact CB-CE3 4.25Å; N255-W257 HydrophobicContact CB-CH2 3.4Å; N255-W257 HydrophobicContact CB-CZ2 4.08Å; N255-W257 HydrophobicContact CB-CZ3 3.49Å; N255-W257 VanDerWaalsContact CB-CZ3 3.49Å; N255-W257 WeakPolarHBondContact ND2-CH2 3.32Å; N255-W257 WeakPolarHBondContact ND2-CZ2 3.31Å; W257-I259 HydrophobicContact CB-CG2 4.5Å
258	M	98.6	Very high	95	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	137.6	163.9	-47.3	164.1	65	0	0	108.7	L75 F78 V79 M225 M229 F235 F240 S244 L245 F261	L75-M258 HydrophobicContact CD1-SD 4.34Å; L75-M258 HydrophobicContact CD2-SD 4.43Å; F78-M258 HydrophobicContact CB-SD 4.47Å; F78-M258 PolarHBondContact O-N 2.92Å; V79-M258 HydrophobicContact CG1-CB 4.12Å; V79-M258 HydrophobicContact CG1-SD 4.43Å; M225-M258 HydrophobicContact CE-CG 4.07Å; M225-M258 HydrophobicContact SD-CG 3.8Å; M225-M258 HydrophobicContact SD-SD 4.37Å; M229-M258 HydrophobicContact CE-CE 3.47Å; M229-M258 VanDerWaalsContact CE-CE 3.47Å; M229-M258 HydrophobicContact CE-CG 3.97Å; M229-M258 HydrophobicContact CE-SD 3.33Å; M229-M258 WeakPolarHBondContact CE-SD 3.32Å; F235-M258 HydrophobicContact CD2-CE 4.4Å; F235-M258 HydrophobicContact CE2-CE 4.04Å; F240-M258 HydrophobicContact CD1-CE 3.83Å; F240-M258 HydrophobicContact CE1-CE 3.44Å; F240-M258 VanDerWaalsContact CE1-CE 3.44Å; F240-M258 HydrophobicContact CZ-CE 4.25Å; S244-M258 CarbonylContact O-C 3.5Å; S244-M258 WeakPolarHBondContact O-CA 3.28Å; L245-M258 HydrophobicContact CD2-CB 4.32Å; L245-M258 HydrophobicContact CD2-CG 3.73Å; M258-F261 HydrophobicContact CB-CE1 3.83Å; M258-F261 HydrophobicContact CB-CZ 3.76Å; M258-F261 HydrophobicContact CE-CE1 4.43Å; M258-F261 VanDerWaalsContact O-CZ 3.3Å; M258-F261 WeakPolarHBondContact O-CZ 3.32Å
259	I	96.6	Very high	94.9	Very high	19 Å²	19	47.9 Å²	47.9	10%	0.097	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	172.7	179.3	63.6	163.6	0	0	0	110.9	L99 S243 S244 L246 W257	L99-I259 HydrophobicContact CD1-CG2 4.22Å; S243-I259 WeakPolarHBondContact CA-O 3.37Å; S243-I259 VanDerWaalsContact CB-O 3.31Å; S243-I259 WeakPolarHBondContact CB-O 3.36Å; S244-I259 PolarHBondContact N-O 2.78Å; S244-I259 PolarHBondContact O-N 3.46Å; L246-I259 HydrophobicContact CB-CD1 3.95Å; L246-I259 HydrophobicContact CB-CG1 4.23Å; L246-I259 HydrophobicContact CB-CG2 4.09Å; L246-I259 HydrophobicContact CD1-CD1 4.11Å; L246-I259 HydrophobicContact CD2-CD1 4.43Å; L246-I259 HydrophobicContact CD2-CG2 4.45Å; L246-I259 HydrophobicContact CG-CD1 4.39Å; W257-I259 HydrophobicContact CB-CG2 4.5Å
260	D	94.2	Very high	94.8	Very high	32 Å²	32	50.7 Å²	50.7	17%	0.171	28%	0.278	C	S	.	.			trans	62.6	73.1	172.6	-67.3	-10.2	0	0	0	114.7	K54 S243	K54-D260 IonicContact NZ-OD1 2.89Å; K54-D260 PolarHBondContact NZ-OD1 2.76Å; S243-D260 VanDerWaalsContact CA-O 3.24Å; S243-D260 WeakPolarHBondContact CA-O 3.49Å; S243-D260 WeakPolarHBondContact CB-O 3.07Å
261	F	95.2	Very high	94.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.307	C	S	.	.			trans	-97.6	14.8	-174.9	-48.9	-55.8	0	0	0	114.4	E63 A66 Y67 L70 V79 F240 M258 K263 V264	E63-F261 HydrophobicContact CG-CB 4.19Å; E63-F261 PolarHBondContact OE1-N 3.13Å; E63-F261 VanDerWaalsContact OE1-N 3.08Å; A66-F261 HydrophobicContact CB-CB 3.66Å; A66-F261 HydrophobicContact CB-CG 4.5Å; Y67-F261 HydrophobicContact CD1-CD2 4.13Å; Y67-F261 HydrophobicContact CD1-CE2 4.11Å; Y67-F261 AromaticContact CD2-CD2 3.94Å; Y67-F261 HydrophobicContact CD2-CD2 3.94Å; Y67-F261 AromaticContact CE1-CD2 3.85Å; Y67-F261 HydrophobicContact CE1-CD2 3.85Å; Y67-F261 AromaticContact CE1-CE2 3.6Å; Y67-F261 HydrophobicContact CE1-CE2 3.6Å; Y67-F261 AromaticContact CE2-CD2 3.63Å; Y67-F261 HydrophobicContact CE2-CD2 3.63Å; Y67-F261 HydrophobicContact CE2-CE2 4.17Å; Y67-F261 HydrophobicContact CG-CD2 4.18Å; Y67-F261 AromaticContact CZ-CD2 3.58Å; Y67-F261 AromaticContact CZ-CE2 3.62Å; L70-F261 HydrophobicContact CD1-CD1 4.26Å; L70-F261 HydrophobicContact CD1-CD2 3.69Å; L70-F261 HydrophobicContact CD1-CE1 4.13Å; L70-F261 HydrophobicContact CD1-CE2 3.56Å; L70-F261 HydrophobicContact CD1-CG 4.04Å; L70-F261 HydrophobicContact CD1-CZ 3.78Å; V79-F261 HydrophobicContact CB-CE2 4.09Å; V79-F261 HydrophobicContact CB-CZ 4.1Å; V79-F261 HydrophobicContact CG1-CE2 4.01Å; V79-F261 HydrophobicContact CG1-CZ 3.58Å; F240-F261 HydrophobicContact CE1-CD1 4.22Å; F240-F261 HydrophobicContact CE1-CE1 4.19Å; M258-F261 HydrophobicContact CB-CE1 3.83Å; M258-F261 HydrophobicContact CB-CZ 3.76Å; M258-F261 HydrophobicContact CE-CE1 4.43Å; M258-F261 VanDerWaalsContact O-CZ 3.3Å; M258-F261 WeakPolarHBondContact O-CZ 3.32Å; F261-K263 PolarHBondContact O-N 2.9Å; F261-K263 VanDerWaalsContact O-N 3.13Å; F261-V264 HydrophobicContact CB-CB 4.15Å; F261-V264 HydrophobicContact CB-CG2 3.78Å; F261-V264 HydrophobicContact CD1-CG2 3.82Å; F261-V264 HydrophobicContact CG-CG2 4.27Å; F261-V264 PolarHBondContact O-N 2.92Å
262	A	92.5	Very high	95.3	Very high	27 Å²	27	48.7 Å²	48.7	22%	0.223	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.6	-177.3	0	0	0	0	0	114.5	E63	E63-A262 HydrophobicContact CB-CB 4.31Å
263	K	93	Very high	95.6	Very high	44 Å²	44	44.6 Å²	44.6	19%	0.191	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	23.3	177	-69.5	-176.6	171.1	-160	0	112.9	L119 E122 I241 F261	L119-K263 HydrophobicContact CD1-CB 4.3Å; L119-K263 HydrophobicContact CD1-CD 4.36Å; L119-K263 HydrophobicContact CD1-CG 4.1Å; L119-K263 HydrophobicContact CD2-CB 4.35Å; L119-K263 HydrophobicContact CG-CB 4.37Å; L119-K263 HydrophobicContact CG-CD 4.35Å; L119-K263 HydrophobicContact CG-CG 4.46Å; E122-K263 IonicContact OE1-NZ 3.47Å; E122-K263 PolarHBondContact OE1-NZ 3.02Å; E122-K263 IonicContact OE2-NZ 2.92Å; E122-K263 PolarHBondContact OE2-NZ 3.35Å; I241-K263 HydrophobicContact CB-CB 4.2Å; I241-K263 HydrophobicContact CG2-CB 4.27Å; I241-K263 HydrophobicContact CG2-CD 4.13Å; I241-K263 VanDerWaalsContact O-CB 3.24Å; I241-K263 WeakPolarHBondContact O-CB 3.45Å; F261-K263 PolarHBondContact O-N 2.9Å; F261-K263 VanDerWaalsContact O-N 3.13Å
264	V	95.4	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	110.8	171.7	179.1	0	0	0	0	107.9	N62 A66 M234 H238 E239 F240 F261	N62-V264 PolarHBondContact ND2-O 2.83Å; A66-V264 HydrophobicContact CB-CB 4.18Å; A66-V264 HydrophobicContact CB-CG1 4.39Å; M234-V264 HydrophobicContact CE-CG1 3.57Å; H238-V264 HydrophobicContact CB-CG1 3.96Å; E239-V264 VanDerWaalsContact O-CA 3.25Å; E239-V264 WeakPolarHBondContact O-CA 3.23Å; F240-V264 HydrophobicContact CD1-CG1 4.15Å; F240-V264 HydrophobicContact CD1-CG2 3.74Å; F240-V264 HydrophobicContact CD2-CG1 3.95Å; F240-V264 HydrophobicContact CE1-CG1 4.02Å; F240-V264 HydrophobicContact CE1-CG2 4.07Å; F240-V264 HydrophobicContact CE2-CG1 3.78Å; F240-V264 HydrophobicContact CG-CG1 4.14Å; F240-V264 HydrophobicContact CG-CG2 4.15Å; F240-V264 HydrophobicContact CZ-CG1 3.85Å; F261-V264 HydrophobicContact CB-CB 4.15Å; F261-V264 HydrophobicContact CB-CG2 3.78Å; F261-V264 HydrophobicContact CD1-CG2 3.82Å; F261-V264 HydrophobicContact CG-CG2 4.27Å; F261-V264 PolarHBondContact O-N 2.92Å
265	F	95.2	Very high	95.8	Very high	59 Å²	59	43.1 Å²	43.1	26%	0.259	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.3	-173.8	-82.2	-89.7	0	0	0	111.6	N62 L119 H238 E239	N62-F265 HydrophobicContact CB-CD1 4.01Å; N62-F265 HydrophobicContact CB-CD2 4.47Å; N62-F265 HydrophobicContact CB-CE1 3.58Å; N62-F265 HydrophobicContact CB-CE2 4.07Å; N62-F265 HydrophobicContact CB-CG 4.44Å; N62-F265 HydrophobicContact CB-CZ 3.61Å; L119-F265 HydrophobicContact CD1-CD2 3.99Å; L119-F265 HydrophobicContact CD1-CE2 3.85Å; L119-F265 HydrophobicContact CD2-CD2 4Å; H238-F265 CarbonylContact C-O 3.48Å; H238-F265 WeakPolarHBondContact CA-O 3.32Å; H238-F265 WeakPolarHBondContact CB-O 3.25Å; E239-F265 HydrophobicContact CG-CB 4.34Å; E239-F265 PolarHBondContact N-O 2.88Å; E239-F265 PolarHBondContact O-N 3.47Å
266	P	95.8	Very high	95.9	Very high	64 Å²	64	43.3 Å²	43.3	42%	0.416	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	145.9	172.7	29.1	-34.1	0	0	0	110.7	T237 H238	T237-P266 CarbonylContact O-C 3.46Å; T237-P266 VanDerWaalsContact O-CA 3.31Å; T237-P266 WeakPolarHBondContact O-CA 3.39Å; H238-P266 VanDerWaalsContact CD2-N 3.28Å
267	V	95.3	Very high	95.8	Very high	12 Å²	12	48.4 Å²	48.4	7%	0.073	29%	0.288	C	S	.	.			trans	-112.9	125.8	172.5	-176	0	0	0	0	108.3	T237 E239 M270 L272 H283	T237-V267 PolarHBondContact O-N 3.4Å; E239-V267 HydrophobicContact CB-CG2 4.13Å; E239-V267 HydrophobicContact CG-CG2 4.26Å; V267-M270 HydrophobicContact CG1-CG 3.44Å; V267-M270 VanDerWaalsContact CG1-CG 3.44Å; V267-M270 HydrophobicContact CG1-SD 3.8Å; V267-L272 HydrophobicContact CG2-CD1 4.09Å; V267-H283 HydrophobicContact CG1-CB 3.92Å; V267-H283 HydrophobicContact CG2-CB 3.8Å
268	E	91.2	Very high	95.7	Very high	185 Å²	185	51.3 Å²	51.3	86%	0.864	30%	0.299	S	S	*	.	S	Bend	trans	-85.3	140.5	-178.1	-66.5	-171.5	174.9	0	0	111.7	M270	E268-M270 VanDerWaalsContact C-N 3.27Å; E268-M270 PolarHBondContact O-N 3.23Å
269	G	92.5	Very high	95.4	Very high	91 Å²	91	55.4 Å²	55.4	94%	0.938	32%	0.324	S	S	*	.	S	Bend	trans	75.3	3.8	168.8	0	0	0	0	0	116.3
270	M	93.4	Very high	95.1	Very high	81 Å²	81	59.7 Å²	59.7	40%	0.399	35%	0.347	S	S	.	.			trans	-146.7	160.3	176.3	57.2	174.7	49.1	0	0	112.9	V267 E268 L272	V267-M270 HydrophobicContact CG1-CG 3.44Å; V267-M270 VanDerWaalsContact CG1-CG 3.44Å; V267-M270 HydrophobicContact CG1-SD 3.8Å; E268-M270 VanDerWaalsContact C-N 3.27Å; E268-M270 PolarHBondContact O-N 3.23Å; M270-L272 HydrophobicContact SD-CD2 4.18Å
271	A	96.5	Very high	95	Very high	75 Å²	75	60 Å²	60	62%	0.62	36%	0.358	S	S	*	.			trans	-110	134.6	169.5	0	0	0	0	0	108.8	K236	K236-A271 CarbonylContact O-C 3.56Å; K236-A271 VanDerWaalsContact O-CA 3.28Å; K236-A271 WeakPolarHBondContact O-CA 3.25Å
272	L	98.3	Very high	95.1	Very high	7 Å²	7	62 Å²	62	4%	0.037	37%	0.368	C	S	.	.			trans	-89.8	141.2	176.7	-51.6	-178.4	0	0	0	109.8	K236 E239 V267 M270 N282 H283	K236-L272 PolarHBondContact O-N 2.92Å; E239-L272 HydrophobicContact CB-CD1 4.07Å; V267-L272 HydrophobicContact CG2-CD1 4.09Å; M270-L272 HydrophobicContact SD-CD2 4.18Å; L272-N282 WeakPolarHBondContact CD2-O 3.32Å; L272-H283 HydrophobicContact CD2-CB 3.96Å
273	D	97.9	Very high	95.2	Very high	70 Å²	70	63 Å²	63	37%	0.374	37%	0.369	S	S	.	.			trans	-93.6	-14.3	171.7	73.2	26.3	0	0	0	112.5	R275 S276 E284	D273-R275 PolarHBondContact O-N 3.33Å; D273-R275 WeakPolarHBondContact OD1-CA 3.41Å; D273-R275 PolarHBondContact OD1-N 3.49Å; D273-S276 WeakPolarHBondContact OD1-CB 3.4Å; D273-S276 PolarHBondContact OD1-N 3.46Å; D273-S276 PolarHBondContact OD1-OG 2.78Å; D273-S276 WeakPolarHBondContact OD2-CB 3.31Å; D273-S276 PolarHBondContact OD2-OG 3.01Å; D273-E284 PolarHBondContact N-OE1 2.63Å
274	H	98.6	Very high	95.5	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.009	36%	0.362	C	S	.	.	S	Bend	trans	61	19.1	-179.8	-54.7	-88.3	0	0	0	114.3	F235 H238 E284 D285 G286 Y287 L288 Y289	F235-H274 AromaticContact CD1-CD2 3.37Å; F235-H274 WeakPolarHBondContact CD1-CD2 3.45Å; F235-H274 AromaticContact CD1-CE1 3.94Å; F235-H274 AromaticContact CD1-CG 3.95Å; F235-H274 AromaticContact CD1-NE2 3.34Å; F235-H274 VanDerWaalsContact CD1-NE2 3.34Å; F235-H274 WeakPolarHBondContact CD1-NE2 3.39Å; F235-H274 HydrophobicContact CE1-CB 3.87Å; F235-H274 AromaticContact CE1-CD2 3.26Å; F235-H274 WeakPolarHBondContact CE1-CD2 3.5Å; F235-H274 AromaticContact CE1-CE1 3.82Å; F235-H274 AromaticContact CE1-CG 3.35Å; F235-H274 AromaticContact CE1-ND1 3.73Å; F235-H274 AromaticContact CE1-NE2 3.55Å; F235-H274 HydrophobicContact CZ-CB 4.46Å; F235-H274 PolarHBondContact O-CE1 2.95Å; F235-H274 VanDerWaalsContact O-CE1 3.26Å; F235-H274 PolarHBondContact O-NE2 2.91Å; H238-H274 PolarHBondContact O-CE1 3.25Å; H238-H274 VanDerWaalsContact O-CE1 3.26Å; H274-E284 WeakPolarHBondContact CA-OE2 3.41Å; H274-E284 PolarHBondContact N-OE1 2.87Å; H274-E284 PolarHBondContact N-OE2 3.2Å; H274-D285 IonicContact CE1-OD2 3.31Å; H274-D285 PolarHBondContact CE1-OD2 3.47Å; H274-D285 IonicContact CG-OD1 3.08Å; H274-D285 VanDerWaalsContact ND1-CG 3.27Å; H274-D285 IonicContact ND1-OD1 3.91Å; H274-D285 PolarHBondContact ND1-OD1 3.15Å; H274-D285 IonicContact ND1-OD2 3.73Å; H274-D285 PolarHBondContact ND1-OD2 2.74Å; H274-G286 CarbonylContact O-C 3.57Å; H274-G286 WeakPolarHBondContact O-CA 3.28Å; H274-Y287 PolarHBondContact O-N 3.24Å; H274-Y287 VanDerWaalsContact O-N 3.16Å; H274-L288 HydrophobicContact CB-CB 3.91Å; H274-L288 HydrophobicContact CB-CD1 4.12Å; H274-L288 HydrophobicContact CB-CG 3.84Å; H274-L288 WeakPolarHBondContact O-CA 3.45Å; H274-L288 WeakPolarHBondContact O-CB 3.44Å; H274-L288 PolarHBondContact O-N 2.69Å; H274-Y289 PolarHBondContact O-N 3.22Å
275	R	98.4	Very high	95.6	Very high	80 Å²	80	61.5 Å²	61.5	30%	0.302	36%	0.362	S	S	.	.			trans	-128.7	-35.3	-177.6	-69.8	-170.8	171.2	94.9	-5.6	112.8	E230 D273 L288 D292	E230-R275 IonicContact OE1-CZ 3.63Å; E230-R275 IonicContact OE1-NH1 3.74Å; E230-R275 PolarHBondContact OE1-NH1 3.37Å; E230-R275 IonicContact OE1-NH2 2.68Å; E230-R275 PolarHBondContact OE1-NH2 2.88Å; D273-R275 PolarHBondContact O-N 3.33Å; D273-R275 WeakPolarHBondContact OD1-CA 3.41Å; D273-R275 PolarHBondContact OD1-N 3.49Å; R275-L288 HydrophobicContact CG-CB 3.66Å; R275-D292 IonicContact CZ-OD2 3.46Å; R275-D292 IonicContact NE-OD2 3.64Å; R275-D292 PolarHBondContact NE-OD2 3.45Å; R275-D292 IonicContact NH2-OD1 3.17Å; R275-D292 IonicContact NH2-OD2 2.73Å; R275-D292 PolarHBondContact NH2-OD2 2.66Å
276	S	97.9	Very high	95.7	Very high	48 Å²	48	58.8 Å²	58.8	34%	0.336	35%	0.351	S	S	.	.	S	Bend	trans	-61.4	143.7	-180	-78.8	0	0	0	0	110.3	D273 W278 E284	D273-S276 WeakPolarHBondContact OD1-CB 3.4Å; D273-S276 PolarHBondContact OD1-N 3.46Å; D273-S276 PolarHBondContact OD1-OG 2.78Å; D273-S276 WeakPolarHBondContact OD2-CB 3.31Å; D273-S276 PolarHBondContact OD2-OG 3.01Å; S276-W278 PolarHBondContact O-N 3.36Å; S276-E284 WeakPolarHBondContact O-CB 3.4Å
277	P	96.9	Very high	95.8	Very high	106 Å²	106	55.7 Å²	55.7	69%	0.688	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-57.6	138.9	176	-24.6	34.3	0	0	0	111.6	N282	P277-N282 PolarHBondContact O-ND2 3.22Å
278	W	95.7	Very high	96	Very high	75 Å²	75	55.3 Å²	55.3	28%	0.284	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-67.7	134.6	174.7	173.7	71	0	0	0	111.5	R116 F118 E120 S276 L280 E284	R116-W278 VanDerWaalsContact NE-CD1 3.25Å; F118-W278 AromaticContact CE2-CH2 3.94Å; F118-W278 HydrophobicContact CE2-CH2 3.94Å; F118-W278 HydrophobicContact CE2-CZ2 4.08Å; F118-W278 AromaticContact CZ-CH2 3.92Å; F118-W278 HydrophobicContact CZ-CH2 3.92Å; F118-W278 HydrophobicContact CZ-CZ2 4.41Å; F118-W278 HydrophobicContact CZ-CZ3 4.06Å; E120-W278 PolarHBondContact OE1-NE1 2.86Å; S276-W278 PolarHBondContact O-N 3.36Å; W278-L280 HydrophobicContact CZ2-CB 4.18Å; W278-L280 HydrophobicContact CZ2-CD1 4.26Å; W278-E284 HydrophobicContact CB-CB 4.49Å; W278-E284 WeakPolarHBondContact CB-O 3.46Å
279	T	92.6	Very high	96.4	Very high	86 Å²	86	50 Å²	50	53%	0.528	30%	0.301	S	S	.	.			trans	-138.5	140	165.1	58.4	0	0	0	0	107.9	G281 N282	T279-G281 PolarHBondContact O-N 3.15Å; T279-G281 VanDerWaalsContact O-N 3.13Å; T279-N282 PolarHBondContact N-ND2 3.22Å; T279-N282 PolarHBondContact N-OD1 2.84Å; T279-N282 PolarHBondContact O-N 2.89Å; T279-N282 PolarHBondContact O-OD1 2.8Å; T279-N282 PolarHBondContact OG1-ND2 3.36Å
280	L	91	Very high	96.6	Very high	109 Å²	109	45.7 Å²	45.7	57%	0.571	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	122.2	-178.1	-177.3	66.3	0	0	0	112	E120 V123 W278	E120-L280 HydrophobicContact CB-CD1 4.14Å; E120-L280 HydrophobicContact CG-CD1 4.26Å; V123-L280 HydrophobicContact CG2-CD1 4.45Å; W278-L280 HydrophobicContact CZ2-CB 4.18Å; W278-L280 HydrophobicContact CZ2-CD1 4.26Å
281	G	92.9	Very high	96.9	Very high	40 Å²	40	41.9 Å²	41.9	41%	0.412	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.5	-10.4	-179.1	0	0	0	0	0	114.7	E120 T279 H283	E120-G281 VanDerWaalsContact CD-N 3.3Å; E120-G281 PolarHBondContact OE1-N 3.22Å; E120-G281 WeakPolarHBondContact OE2-CA 3.31Å; E120-G281 PolarHBondContact OE2-N 3.24Å; T279-G281 PolarHBondContact O-N 3.15Å; T279-G281 VanDerWaalsContact O-N 3.13Å; G281-H283 PolarHBondContact O-CD2 3.03Å
282	N	95.6	Very high	97	Very high	40 Å²	40	40.4 Å²	40.4	21%	0.214	22%	0.219	C	C	.	.	S	Bend	trans	-92.1	-10.2	173.9	83.5	-7.5	0	0	0	113.5	L272 P277 T279 E284	L272-N282 WeakPolarHBondContact CD2-O 3.32Å; P277-N282 PolarHBondContact O-ND2 3.22Å; T279-N282 PolarHBondContact N-ND2 3.22Å; T279-N282 PolarHBondContact N-OD1 2.84Å; T279-N282 PolarHBondContact O-N 2.89Å; T279-N282 PolarHBondContact O-OD1 2.8Å; T279-N282 PolarHBondContact OG1-ND2 3.36Å; N282-E284 PolarHBondContact O-N 2.69Å; N282-E284 PolarHBondContact OD1-N 2.93Å
283	H	96.1	Very high	97	Very high	50 Å²	50	43.4 Å²	43.4	23%	0.231	23%	0.23	C	C	.	.			trans	56.8	8.6	178.4	-62.3	-89.8	0	0	0	116.3	R116 E120 E239 V267 L272 G281 D285	R116-H283 VanDerWaalsContact NH2-C 3.33Å; R116-H283 PolarHBondContact NH2-O 3.17Å; E120-H283 PolarHBondContact OE1-N 2.82Å; E120-H283 IonicContact OE2-CE1 3.54Å; E120-H283 IonicContact OE2-ND1 3.84Å; E120-H283 IonicContact OE2-NE2 3.72Å; E239-H283 IonicContact OE1-ND1 2.63Å; V267-H283 HydrophobicContact CG1-CB 3.92Å; V267-H283 HydrophobicContact CG2-CB 3.8Å; L272-H283 HydrophobicContact CD2-CB 3.96Å; G281-H283 PolarHBondContact O-CD2 3.03Å; H283-D285 PolarHBondContact O-N 2.76Å
284	E	97.7	Very high	97	Very high	12 Å²	12	40 Å²	40	6%	0.056	21%	0.213	C	C	.	.			trans	-61.9	140.5	178.9	-77.7	-66.7	168.9	0	0	110.8	R116 D273 H274 S276 W278 N282	R116-E284 PolarHBondContact NE-O 2.95Å; R116-E284 VanDerWaalsContact NE-O 3.09Å; R116-E284 PolarHBondContact NH2-O 3.12Å; D273-E284 PolarHBondContact N-OE1 2.63Å; H274-E284 WeakPolarHBondContact CA-OE2 3.41Å; H274-E284 PolarHBondContact N-OE1 2.87Å; H274-E284 PolarHBondContact N-OE2 3.2Å; S276-E284 WeakPolarHBondContact O-CB 3.4Å; W278-E284 HydrophobicContact CB-CB 4.49Å; W278-E284 WeakPolarHBondContact CB-O 3.46Å; N282-E284 PolarHBondContact O-N 2.69Å; N282-E284 PolarHBondContact OD1-N 2.93Å
285	D	97.5	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.			trans	-110.6	-17.2	-178.3	55.3	31.3	0	0	0	112.6	G114 T115 R116 F240 I241 H274 H283 Y287	G114-D285 CarbonylContact C-O 3.51Å; G114-D285 WeakPolarHBondContact CA-O 3.45Å; T115-D285 PolarHBondContact N-O 3.15Å; T115-D285 PolarHBondContact OG1-O 2.61Å; R116-D285 PolarHBondContact N-O 3.34Å; F240-D285 PolarHBondContact N-OD2 2.7Å; I241-D285 HydrophobicContact CD1-CB 3.63Å; H274-D285 IonicContact CE1-OD2 3.31Å; H274-D285 PolarHBondContact CE1-OD2 3.47Å; H274-D285 IonicContact CG-OD1 3.08Å; H274-D285 VanDerWaalsContact ND1-CG 3.27Å; H274-D285 IonicContact ND1-OD1 3.91Å; H274-D285 PolarHBondContact ND1-OD1 3.15Å; H274-D285 IonicContact ND1-OD2 3.73Å; H274-D285 PolarHBondContact ND1-OD2 2.74Å; H283-D285 PolarHBondContact O-N 2.76Å; D285-Y287 VanDerWaalsContact C-N 3.26Å; D285-Y287 PolarHBondContact O-N 3.06Å; D285-Y287 VanDerWaalsContact OD1-CB 3.24Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.37Å; D285-Y287 PolarHBondContact OD1-N 3.41Å
286	G	98	Very high	96.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	23%	0.233	C	C	.	.			trans	67.2	23.8	-175.7	0	0	0	0	0	113.6	H274 Y289 G290	H274-G286 CarbonylContact O-C 3.57Å; H274-G286 WeakPolarHBondContact O-CA 3.28Å; G286-Y289 WeakPolarHBondContact O-CB 3.49Å; G286-Y289 PolarHBondContact O-N 3.25Å; G286-G290 PolarHBondContact O-N 3.35Å
287	Y	98.7	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-49.1	-176.3	-166.2	-68.7	0	0	0	112.3	M113 M229 F235 F240 S243 L245 H274 D285 G290 L291	M113-Y287 HydrophobicContact CB-CD2 3.55Å; M113-Y287 HydrophobicContact CB-CE1 4.28Å; M113-Y287 HydrophobicContact CB-CE2 3.28Å; M113-Y287 HydrophobicContact CB-CG 4.17Å; M113-Y287 HydrophobicContact CE-CE1 4.32Å; M113-Y287 HydrophobicContact CG-CD2 4.41Å; M113-Y287 HydrophobicContact CG-CE1 4.2Å; M113-Y287 HydrophobicContact CG-CE2 3.75Å; M229-Y287 HydrophobicContact CE-CD1 4.2Å; M229-Y287 HydrophobicContact CE-CE1 3.39Å; M229-Y287 HydrophobicContact SD-CD1 4.29Å; M229-Y287 HydrophobicContact SD-CE1 3.98Å; F235-Y287 HydrophobicContact CE2-CD1 4.24Å; F235-Y287 HydrophobicContact CE2-CG 4.36Å; F235-Y287 AromaticContact CZ-CD1 3.65Å; F235-Y287 HydrophobicContact CZ-CD1 3.65Å; F235-Y287 HydrophobicContact CZ-CE1 4.28Å; F235-Y287 AromaticContact CZ-CG 3.81Å; F235-Y287 HydrophobicContact CZ-CG 3.81Å; F240-Y287 HydrophobicContact CB-CD2 3.74Å; F240-Y287 HydrophobicContact CB-CE2 4.26Å; F240-Y287 HydrophobicContact CB-CG 4.46Å; S243-Y287 VanDerWaalsContact OG-CE2 3.3Å; S243-Y287 WeakPolarHBondContact OG-CE2 3.49Å; L245-Y287 VanDerWaalsContact CD2-OH 3.25Å; L245-Y287 WeakPolarHBondContact CD2-OH 3.24Å; H274-Y287 PolarHBondContact O-N 3.24Å; H274-Y287 VanDerWaalsContact O-N 3.16Å; D285-Y287 VanDerWaalsContact C-N 3.26Å; D285-Y287 PolarHBondContact O-N 3.06Å; D285-Y287 VanDerWaalsContact OD1-CB 3.24Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.37Å; D285-Y287 PolarHBondContact OD1-N 3.41Å; Y287-G290 PolarHBondContact O-N 2.77Å; Y287-L291 PolarHBondContact O-N 2.83Å
288	L	98.8	Very high	96	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-71.2	-31.8	177.4	-74.1	-179.7	0	0	0	112	R226 M229 E230 F235 H274 R275 G290 L291 D292	R226-L288 HydrophobicContact CG-CD2 4.12Å; M229-L288 HydrophobicContact CB-CD2 4Å; M229-L288 HydrophobicContact SD-CD2 3.74Å; E230-L288 HydrophobicContact CG-CD1 4.05Å; F235-L288 HydrophobicContact CE1-CD1 4.04Å; F235-L288 HydrophobicContact CE1-CD2 4.29Å; F235-L288 HydrophobicContact CE1-CG 3.82Å; F235-L288 HydrophobicContact CZ-CG 4.41Å; H274-L288 HydrophobicContact CB-CB 3.91Å; H274-L288 HydrophobicContact CB-CD1 4.12Å; H274-L288 HydrophobicContact CB-CG 3.84Å; H274-L288 WeakPolarHBondContact O-CA 3.45Å; H274-L288 WeakPolarHBondContact O-CB 3.44Å; H274-L288 PolarHBondContact O-N 2.69Å; R275-L288 HydrophobicContact CG-CB 3.66Å; L288-G290 VanDerWaalsContact C-N 3.29Å; L288-G290 PolarHBondContact O-N 2.84Å; L288-L291 HydrophobicContact CD2-CB 4.46Å; L288-L291 HydrophobicContact CD2-CD2 3.89Å; L288-L291 PolarHBondContact O-N 3.24Å; L288-D292 WeakPolarHBondContact O-CB 3.35Å; L288-D292 PolarHBondContact O-N 3.22Å
289	Y	98.6	Very high	96.1	Very high	74 Å²	74	36.6 Å²	36.6	29%	0.29	19%	0.194	S	C	.	.	H	α-helix	trans	-56.1	-47.9	168.5	175.9	-92	0	0	0	110.4	T115 Q171 H274 G286 D292 Y293	T115-Y289 HydrophobicContact CG2-CD1 3.72Å; T115-Y289 HydrophobicContact CG2-CE1 4.09Å; Q171-Y289 WeakPolarHBondContact O-CE1 3.24Å; Q171-Y289 PolarHBondContact O-OH 3.16Å; H274-Y289 PolarHBondContact O-N 3.22Å; G286-Y289 WeakPolarHBondContact O-CB 3.49Å; G286-Y289 PolarHBondContact O-N 3.25Å; Y289-D292 PolarHBondContact O-N 3.48Å; Y289-Y293 HydrophobicContact CD1-CD2 4.36Å; Y289-Y293 HydrophobicContact CD2-CE2 4.36Å; Y289-Y293 AromaticContact CE1-CD2 4Å; Y289-Y293 HydrophobicContact CE1-CD2 4Å; Y289-Y293 AromaticContact CE1-CE2 3.87Å; Y289-Y293 HydrophobicContact CE1-CE2 3.87Å; Y289-Y293 HydrophobicContact CE2-CD2 4.37Å; Y289-Y293 AromaticContact CE2-CE2 3.68Å; Y289-Y293 HydrophobicContact CE2-CE2 3.68Å; Y289-Y293 AromaticContact CZ-CE2 3.39Å; Y289-Y293 WeakPolarHBondContact O-CD2 3.36Å; Y289-Y293 PolarHBondContact O-N 2.97Å; Y289-Y293 WeakPolarHBondContact OH-CE2 3.25Å
290	G	98.5	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-45	174.9	0	0	0	0	0	114	F172 G173 F174 G286 Y287 L288 D292 Y293 L294	F172-G290 VanDerWaalsContact O-CA 3.29Å; F172-G290 WeakPolarHBondContact O-CA 3.33Å; G173-G290 WeakPolarHBondContact O-CA 3.18Å; F174-G290 WeakPolarHBondContact CD1-O 3.07Å; G286-G290 PolarHBondContact O-N 3.35Å; Y287-G290 PolarHBondContact O-N 2.77Å; L288-G290 VanDerWaalsContact C-N 3.29Å; L288-G290 PolarHBondContact O-N 2.84Å; G290-D292 VanDerWaalsContact C-N 3.31Å; G290-D292 PolarHBondContact O-N 3.38Å; G290-Y293 PolarHBondContact O-N 3.27Å; G290-L294 WeakPolarHBondContact O-CB 3.05Å; G290-L294 PolarHBondContact O-N 3.3Å
291	L	98.7	Very high	96.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-36.4	179.6	-176.8	57.3	0	0	0	112.3	M113 L222 R226 M229 L245 Y287 L288 L294 I295	M113-L291 HydrophobicContact CE-CB 4.17Å; L222-L291 HydrophobicContact CB-CD1 4.2Å; L222-L291 HydrophobicContact CD2-CD1 3.86Å; R226-L291 HydrophobicContact CB-CD2 3.68Å; R226-L291 HydrophobicContact CB-CG 4.4Å; R226-L291 HydrophobicContact CG-CD2 4.3Å; M229-L291 HydrophobicContact CE-CD2 4.48Å; M229-L291 HydrophobicContact SD-CD2 3.59Å; M229-L291 VanDerWaalsContact SD-CD2 3.59Å; L245-L291 HydrophobicContact CD1-CD1 4.04Å; Y287-L291 PolarHBondContact O-N 2.83Å; L288-L291 HydrophobicContact CD2-CB 4.46Å; L288-L291 HydrophobicContact CD2-CD2 3.89Å; L288-L291 PolarHBondContact O-N 3.24Å; L291-L294 PolarHBondContact O-N 3.5Å; L291-I295 HydrophobicContact CD1-CD1 4.23Å; L291-I295 HydrophobicContact CD1-CG1 4.26Å; L291-I295 HydrophobicContact CG-CD1 4Å; L291-I295 HydrophobicContact CG-CG1 4.49Å; L291-I295 WeakPolarHBondContact O-CB 3.33Å; L291-I295 WeakPolarHBondContact O-CD1 3.1Å; L291-I295 VanDerWaalsContact O-CG1 3.24Å; L291-I295 WeakPolarHBondContact O-CG1 3.04Å; L291-I295 PolarHBondContact O-N 3.23Å
292	D	98.6	Very high	96.7	Very high	45 Å²	45	29.2 Å²	29.2	24%	0.241	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-44.7	177.1	-75.2	-29.7	0	0	0	111.1	R226 R275 L288 Y289 G290 Q296	R226-D292 WeakPolarHBondContact CD-OD1 3.19Å; R226-D292 IonicContact CZ-OD1 2.71Å; R226-D292 IonicContact NE-OD1 3.83Å; R226-D292 IonicContact NH1-OD1 3.1Å; R226-D292 PolarHBondContact NH1-OD1 3.41Å; R275-D292 IonicContact CZ-OD2 3.46Å; R275-D292 IonicContact NE-OD2 3.64Å; R275-D292 PolarHBondContact NE-OD2 3.45Å; R275-D292 IonicContact NH2-OD1 3.17Å; R275-D292 IonicContact NH2-OD2 2.73Å; R275-D292 PolarHBondContact NH2-OD2 2.66Å; L288-D292 WeakPolarHBondContact O-CB 3.35Å; L288-D292 PolarHBondContact O-N 3.22Å; Y289-D292 PolarHBondContact O-N 3.48Å; G290-D292 VanDerWaalsContact C-N 3.31Å; G290-D292 PolarHBondContact O-N 3.38Å; D292-Q296 PolarHBondContact O-N 2.96Å
293	Y	98	Very high	96.8	Very high	69 Å²	69	28.6 Å²	28.6	27%	0.271	14%	0.135	S	C	.	.	H	α-helix	trans	-66.8	-43.1	172.8	-84.5	-75	0	0	0	112.6	F172 M196 Y289 G290 I295 Q296 V297	F172-Y293 AromaticContact CD1-CD1 3.86Å; F172-Y293 HydrophobicContact CD1-CD1 3.86Å; F172-Y293 HydrophobicContact CD1-CE1 4.01Å; F172-Y293 HydrophobicContact CD1-CG 4.15Å; F172-Y293 HydrophobicContact CE1-CD1 4.41Å; F172-Y293 HydrophobicContact CE1-CE1 4.25Å; M196-Y293 HydrophobicContact CE-CD1 3.77Å; M196-Y293 HydrophobicContact CE-CE1 3.98Å; Y289-Y293 HydrophobicContact CD1-CD2 4.36Å; Y289-Y293 HydrophobicContact CD2-CE2 4.36Å; Y289-Y293 AromaticContact CE1-CD2 4Å; Y289-Y293 HydrophobicContact CE1-CD2 4Å; Y289-Y293 AromaticContact CE1-CE2 3.87Å; Y289-Y293 HydrophobicContact CE1-CE2 3.87Å; Y289-Y293 HydrophobicContact CE2-CD2 4.37Å; Y289-Y293 AromaticContact CE2-CE2 3.68Å; Y289-Y293 HydrophobicContact CE2-CE2 3.68Å; Y289-Y293 AromaticContact CZ-CE2 3.39Å; Y289-Y293 WeakPolarHBondContact O-CD2 3.36Å; Y289-Y293 PolarHBondContact O-N 2.97Å; Y289-Y293 WeakPolarHBondContact OH-CE2 3.25Å; G290-Y293 PolarHBondContact O-N 3.27Å; Y293-I295 VanDerWaalsContact C-N 3.26Å; Y293-I295 PolarHBondContact O-N 3.35Å; Y293-Q296 WeakPolarHBondContact O-CA 3.36Å; Y293-Q296 WeakPolarHBondContact O-CB 3.2Å; Y293-Q296 PolarHBondContact O-N 2.86Å; Y293-V297 WeakPolarHBondContact O-CG2 3.22Å; Y293-V297 PolarHBondContact O-N 3.23Å; Y293-V297 VanDerWaalsContact O-N 3.13Å
294	L	97.8	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-38.5	179.8	-174.9	57.7	0	0	0	111.7	I111 M113 F174 L203 L222 L245 F247 G290 L291 Q296 V297 S298	I111-L294 HydrophobicContact CD1-CD1 3.78Å; I111-L294 HydrophobicContact CD1-CD2 4.15Å; I111-L294 HydrophobicContact CG2-CD2 4.43Å; M113-L294 HydrophobicContact CE-CD2 4.3Å; M113-L294 HydrophobicContact SD-CD2 4.09Å; F174-L294 HydrophobicContact CD1-CB 4.12Å; F174-L294 HydrophobicContact CD2-CD1 4.36Å; F174-L294 HydrophobicContact CE1-CB 3.9Å; F174-L294 HydrophobicContact CE1-CD1 4.35Å; F174-L294 HydrophobicContact CE2-CD1 3.91Å; F174-L294 HydrophobicContact CZ-CB 4.29Å; F174-L294 HydrophobicContact CZ-CD1 3.9Å; L203-L294 HydrophobicContact CD1-CD1 4.35Å; L222-L294 HydrophobicContact CD1-CG 4.24Å; L245-L294 HydrophobicContact CD1-CD2 3.8Å; F247-L294 HydrophobicContact CE2-CD2 4.06Å; F247-L294 HydrophobicContact CZ-CD1 4.35Å; F247-L294 HydrophobicContact CZ-CD2 3.77Å; F247-L294 HydrophobicContact CZ-CG 4.2Å; G290-L294 WeakPolarHBondContact O-CB 3.05Å; G290-L294 PolarHBondContact O-N 3.3Å; L291-L294 PolarHBondContact O-N 3.5Å; L294-Q296 VanDerWaalsContact C-N 3.29Å; L294-Q296 PolarHBondContact O-N 3Å; L294-V297 HydrophobicContact CD1-CG2 4.28Å; L294-V297 WeakPolarHBondContact O-CG2 3.22Å; L294-V297 PolarHBondContact O-N 3.29Å; L294-S298 VanDerWaalsContact O-CB 3.29Å; L294-S298 WeakPolarHBondContact O-CB 3.27Å; L294-S298 PolarHBondContact O-N 3.03Å; L294-S298 VanDerWaalsContact O-N 3.07Å; L294-S298 PolarHBondContact O-OG 2.85Å
295	I	97.3	Very high	96.8	Very high	16 Å²	16	28.2 Å²	28.2	8%	0.082	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-34.5	173.6	-72.5	165.1	0	0	0	111.9	L222 K223 R226 L291 Y293	L222-I295 HydrophobicContact CB-CD1 4.19Å; L222-I295 HydrophobicContact CB-CG1 3.61Å; L222-I295 HydrophobicContact CD1-CG1 4.28Å; K223-I295 HydrophobicContact CD-CG2 4.5Å; K223-I295 HydrophobicContact CG-CD1 4.2Å; K223-I295 HydrophobicContact CG-CG2 3.96Å; R226-I295 HydrophobicContact CB-CD1 4.26Å; L291-I295 HydrophobicContact CD1-CD1 4.23Å; L291-I295 HydrophobicContact CD1-CG1 4.26Å; L291-I295 HydrophobicContact CG-CD1 4Å; L291-I295 HydrophobicContact CG-CG1 4.49Å; L291-I295 WeakPolarHBondContact O-CB 3.33Å; L291-I295 WeakPolarHBondContact O-CD1 3.1Å; L291-I295 VanDerWaalsContact O-CG1 3.24Å; L291-I295 WeakPolarHBondContact O-CG1 3.04Å; L291-I295 PolarHBondContact O-N 3.23Å; Y293-I295 VanDerWaalsContact C-N 3.26Å; Y293-I295 PolarHBondContact O-N 3.35Å
296	Q	95.1	Very high	96.7	Very high	141 Å²	141	30.4 Å²	30.4	66%	0.659	14%	0.144	S	C	*	.	H	α-helix	trans	-71.5	-34.8	-179.9	-176.6	-179.8	-2.1	0	0	112.4	D292 Y293 L294	D292-Q296 PolarHBondContact O-N 2.96Å; Y293-Q296 WeakPolarHBondContact O-CA 3.36Å; Y293-Q296 WeakPolarHBondContact O-CB 3.2Å; Y293-Q296 PolarHBondContact O-N 2.86Å; L294-Q296 VanDerWaalsContact C-N 3.29Å; L294-Q296 PolarHBondContact O-N 3Å
297	V	92.7	Very high	96.6	Very high	16 Å²	16	32.8 Å²	32.8	10%	0.097	16%	0.155	C	C	.	.	H	α-helix	trans	-96.1	-12.9	-175.1	-60.9	0	0	0	0	115	F174 M196 I199 M200 L203 Y293 L294	F174-V297 HydrophobicContact CZ-CG2 4.11Å; M196-V297 HydrophobicContact CE-CG1 4.21Å; M196-V297 HydrophobicContact CG-CG1 4.23Å; M196-V297 HydrophobicContact SD-CG1 3.22Å; M196-V297 WeakPolarHBondContact SD-CG1 3.32Å; I199-V297 HydrophobicContact CG2-CG2 4.1Å; M200-V297 HydrophobicContact CG-CB 4.04Å; M200-V297 HydrophobicContact CG-CG1 4.13Å; L203-V297 HydrophobicContact CD1-CB 4.05Å; L203-V297 HydrophobicContact CD1-CG2 3.45Å; L203-V297 VanDerWaalsContact CD1-CG2 3.45Å; Y293-V297 WeakPolarHBondContact O-CG2 3.22Å; Y293-V297 PolarHBondContact O-N 3.23Å; Y293-V297 VanDerWaalsContact O-N 3.13Å; L294-V297 HydrophobicContact CD1-CG2 4.28Å; L294-V297 WeakPolarHBondContact O-CG2 3.22Å; L294-V297 PolarHBondContact O-N 3.29Å
298	S	86.9	Confident	96.4	Very high	29 Å²	29	35.8 Å²	35.8	20%	0.203	17%	0.169	C	C	.	.			trans	-81.7	0	178	-61.4	0	0	0	0	112.1	V219 L294	V219-S298 WeakPolarHBondContact CG2-OXT 3.5Å; L294-S298 VanDerWaalsContact O-CB 3.29Å; L294-S298 WeakPolarHBondContact O-CB 3.27Å; L294-S298 PolarHBondContact O-N 3.03Å; L294-S298 VanDerWaalsContact O-N 3.07Å; L294-S298 PolarHBondContact O-OG 2.85Å

Retrieved 298 of 298 residues in 471 ms (Link to these results)

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