X5LVB0_CAEEL Loading...

Ligand-Gated ion Channel

AlphaFold DB , UniProt , Accession X5LVB0, Species CAEEL (Caenorhabditis elegans), Gene lgc-51, Length 450 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	48.9	Very low	58.6	Low	222 Å²	222	125.8 Å²	125.8	100%	1.094	66%	0.661	S	S	*	*				0	1.9	0	-73.6	171.5	80.9	0	0	114.2
2	C	57.4	Low	58.1	Low	116 Å²	116	123.3 Å²	123.3	78%	0.784	66%	0.655	S	S	*	*			trans	-86	-16.4	-177.3	-62.2	0	0	0	0	116.1
3	L	56.4	Low	57.5	Low	148 Å²	148	120.8 Å²	120.8	78%	0.775	65%	0.647	S	S	*	*	H	α-helix	trans	-74.4	-27.7	-179.1	-126.8	93	0	0	0	113.3
4	F	59.9	Low	56.7	Low	177 Å²	177	123.9 Å²	123.9	78%	0.776	65%	0.653	S	S	*	*	H	α-helix	trans	-73.5	-26.3	-178.8	-90.4	-83.1	0	0	0	113.4	A8	F4-A8 PolarHBondContact O-N 3.28Å
5	H	61.5	Low	55.6	Low	145 Å²	145	120.9 Å²	120.9	67%	0.671	65%	0.652	S	S	*	*	H	α-helix	trans	-74.6	-27.9	178.2	-109.2	-67.4	0	0	0	113.1	V9	H5-V9 WeakPolarHBondContact O-CG2 3.46Å; H5-V9 PolarHBondContact O-N 3.33Å
6	F	61.5	Low	54.4	Low	159 Å²	159	123.9 Å²	123.9	70%	0.697	66%	0.661	S	S	*	*	H	α-helix	trans	-76.3	-35.5	-178.3	-136.8	-91.5	0	0	0	112.4	I10	F6-I10 HydrophobicContact CD1-CD1 4.15Å; F6-I10 HydrophobicContact CE1-CD1 4.49Å; F6-I10 WeakPolarHBondContact O-CG1 3.23Å; F6-I10 PolarHBondContact O-N 3.02Å
7	L	59.6	Low	53.4	Low	110 Å²	110	125.4 Å²	125.4	58%	0.576	67%	0.669	S	S	*	*	H	α-helix	trans	-70	-35.5	174	-84.9	159.4	0	0	0	112.4	I10 V11	L7-I10 PolarHBondContact O-N 3.13Å; L7-V11 WeakPolarHBondContact O-CG2 3.39Å; L7-V11 PolarHBondContact O-N 3.42Å
8	A	60.4	Low	52.4	Low	50 Å²	50	128.4 Å²	128.4	41%	0.413	68%	0.678	S	S	.	*	H	α-helix	trans	-65.3	-39.8	177.8	0	0	0	0	0	112.3	F4 V11 T12	F4-A8 PolarHBondContact O-N 3.28Å; A8-V11 PolarHBondContact O-N 2.9Å; A8-T12 WeakPolarHBondContact O-CG2 3.28Å; A8-T12 PolarHBondContact O-N 2.7Å; A8-T12 PolarHBondContact O-OG1 3.33Å; A8-T12 VanDerWaalsContact O-OG1 3.07Å
9	V	63	Low	51.5	Low	81 Å²	81	125 Å²	125	49%	0.491	68%	0.677	S	S	.	*	H	α-helix	trans	-67.2	-41.4	179.2	175.9	0	0	0	0	111.2	H5 V11 T12 T13	H5-V9 WeakPolarHBondContact O-CG2 3.46Å; H5-V9 PolarHBondContact O-N 3.33Å; V9-V11 PolarHBondContact O-N 2.85Å; V9-T12 WeakPolarHBondContact CA-OG1 3.46Å; V9-T12 PolarHBondContact O-N 3.32Å; V9-T12 PolarHBondContact O-OG1 3.38Å; V9-T13 HydrophobicContact CG1-CG2 4.38Å; V9-T13 PolarHBondContact O-N 2.92Å; V9-T13 PolarHBondContact O-OG1 2.74Å
10	I	58.3	Low	50.8	Low	78 Å²	78	123.7 Å²	123.7	40%	0.4	68%	0.678	S	S	.	*	H	α-helix	trans	-64.4	-41.4	176.7	-65	172.9	0	0	0	110.6	F6 L7 T12 T13 F14	F6-I10 HydrophobicContact CD1-CD1 4.15Å; F6-I10 HydrophobicContact CE1-CD1 4.49Å; F6-I10 WeakPolarHBondContact O-CG1 3.23Å; F6-I10 PolarHBondContact O-N 3.02Å; L7-I10 PolarHBondContact O-N 3.13Å; I10-T12 VanDerWaalsContact C-N 3.33Å; I10-T12 PolarHBondContact O-N 2.9Å; I10-T13 PolarHBondContact O-OG1 3.19Å; I10-F14 HydrophobicContact CG2-CD2 3.72Å; I10-F14 HydrophobicContact CG2-CE2 4Å; I10-F14 VanDerWaalsContact O-CD2 3.25Å; I10-F14 WeakPolarHBondContact O-CD2 3.35Å; I10-F14 PolarHBondContact O-N 3.46Å; I10-F14 VanDerWaalsContact O-N 3.13Å
11	V	58	Low	50.4	Low	98 Å²	98	126.9 Å²	126.9	59%	0.594	69%	0.685	S	S	*	*	H	α-helix	trans	-67.5	-35.3	177.7	176.5	0	0	0	0	111.4	L7 A8 V9 A15	L7-V11 WeakPolarHBondContact O-CG2 3.39Å; L7-V11 PolarHBondContact O-N 3.42Å; A8-V11 PolarHBondContact O-N 2.9Å; V9-V11 PolarHBondContact O-N 2.85Å; V11-A15 WeakPolarHBondContact O-CB 3.28Å; V11-A15 PolarHBondContact O-N 3.03Å; V11-A15 VanDerWaalsContact O-N 3.11Å
12	T	52.9	Low	50.4	Low	95 Å²	95	121.7 Å²	121.7	58%	0.583	67%	0.666	S	S	*	*	H	α-helix	trans	-76.9	-31.4	178	52.8	0	0	0	0	114.2	A8 V9 I10	A8-T12 WeakPolarHBondContact O-CG2 3.28Å; A8-T12 PolarHBondContact O-N 2.7Å; A8-T12 PolarHBondContact O-OG1 3.33Å; A8-T12 VanDerWaalsContact O-OG1 3.07Å; V9-T12 WeakPolarHBondContact CA-OG1 3.46Å; V9-T12 PolarHBondContact O-N 3.32Å; V9-T12 PolarHBondContact O-OG1 3.38Å; I10-T12 VanDerWaalsContact C-N 3.33Å; I10-T12 PolarHBondContact O-N 2.9Å
13	T	49.7	Very low	50.3	Low	91 Å²	91	122.5 Å²	122.5	56%	0.558	66%	0.658	S	S	*	*	H	α-helix	trans	-78.8	-24.9	177.3	51.3	0	0	0	0	112.9	V9 I10	V9-T13 HydrophobicContact CG1-CG2 4.38Å; V9-T13 PolarHBondContact O-N 2.92Å; V9-T13 PolarHBondContact O-OG1 2.74Å; I10-T13 PolarHBondContact O-OG1 3.19Å
14	F	46.4	Very low	50.2	Low	165 Å²	165	124.4 Å²	124.4	72%	0.724	66%	0.66	S	S	*	*	H	α-helix	trans	-97	-3.7	175.5	-71.6	-73.4	0	0	0	114.5	I10 Q16	I10-F14 HydrophobicContact CG2-CD2 3.72Å; I10-F14 HydrophobicContact CG2-CE2 4Å; I10-F14 VanDerWaalsContact O-CD2 3.25Å; I10-F14 WeakPolarHBondContact O-CD2 3.35Å; I10-F14 PolarHBondContact O-N 3.46Å; I10-F14 VanDerWaalsContact O-N 3.13Å; F14-Q16 VanDerWaalsContact C-N 3.31Å
15	A	39.8	Very low	50.4	Low	78 Å²	78	118.8 Å²	118.8	65%	0.645	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	8	175.7	0	0	0	0	0	114.1	V11	V11-A15 WeakPolarHBondContact O-CB 3.28Å; V11-A15 PolarHBondContact O-N 3.03Å; V11-A15 VanDerWaalsContact O-N 3.11Å
16	Q	36.6	Very low	50.6	Low	170 Å²	170	118.4 Å²	118.4	79%	0.794	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	42.6	178.2	-148.9	165.6	-9	0	0	111	F14	F14-Q16 VanDerWaalsContact C-N 3.31Å
17	D	37.3	Very low	51.1	Low	148 Å²	148	118.6 Å²	118.6	79%	0.791	65%	0.651	S	S	*	*			trans	-94.2	96.3	148.1	-147.4	9.2	0	0	0	104.5	G19	D17-G19 PolarHBondContact O-N 2.87Å
18	E	36.5	Very low	51.6	Low	180 Å²	180	116.9 Å²	116.9	84%	0.841	65%	0.646	S	S	*	*			trans	-51	104.5	162.3	-81.2	-177.4	160	0	0	105.1	S20	E18-S20 PolarHBondContact O-N 3.36Å
19	G	33.9	Very low	52.3	Low	64 Å²	64	124.5 Å²	124.5	66%	0.66	66%	0.664	S	S	*	*			trans	-53.6	99.6	175.2	0	0	0	0	0	106.1	D17 F21	D17-G19 PolarHBondContact O-N 2.87Å; G19-F21 VanDerWaalsContact C-N 3.26Å; G19-F21 PolarHBondContact O-N 2.84Å
20	S	38.4	Very low	53.1	Low	98 Å²	98	123.6 Å²	123.6	69%	0.685	66%	0.657	S	S	*	*			trans	-49.7	111.3	158.9	63.2	0	0	0	0	103	E18 V22	E18-S20 PolarHBondContact O-N 3.36Å; S20-V22 PolarHBondContact O-N 3.46Å
21	F	42.1	Very low	54.5	Low	191 Å²	191	124 Å²	124	84%	0.838	66%	0.663	S	S	*	*			trans	-67.2	82.6	174.5	-149.1	-91.9	0	0	0	102.8	G19 E23	G19-F21 VanDerWaalsContact C-N 3.26Å; G19-F21 PolarHBondContact O-N 2.84Å; F21-E23 PolarHBondContact O-N 3.16Å
22	V	48.4	Very low	55.7	Low	113 Å²	113	122.1 Å²	122.1	69%	0.685	65%	0.653	S	S	*	*			trans	-66.2	88.2	164.4	-178.9	0	0	0	0	102.2	S20 K24	S20-V22 PolarHBondContact O-N 3.46Å; V22-K24 VanDerWaalsContact C-N 3.34Å; V22-K24 PolarHBondContact O-N 2.98Å
23	E	55.8	Low	57.3	Low	134 Å²	134	120.4 Å²	120.4	63%	0.626	65%	0.648	S	S	*	*			trans	-49.1	105.8	173.3	-161.8	178.4	-165.9	0	0	104.8	F21 C25	F21-E23 PolarHBondContact O-N 3.16Å; E23-C25 PolarHBondContact O-N 3.19Å
24	K	54.1	Low	59.1	Low	187 Å²	187	117.5 Å²	117.5	81%	0.813	63%	0.633	S	S	*	*			trans	-63.9	95.7	-179.4	-79.6	-177.7	178.4	176.3	0	106.1	V22 T26	V22-K24 VanDerWaalsContact C-N 3.34Å; V22-K24 PolarHBondContact O-N 2.98Å; K24-T26 PolarHBondContact O-N 3.5Å
25	C	64.4	Low	61.1	Low	59 Å²	59	109.7 Å²	109.7	40%	0.399	60%	0.599	S	S	.	*			trans	-70.1	103	-172.7	-143.2	0	0	0	0	108	E23 C96	E23-C25 PolarHBondContact O-N 3.19Å; C25-C96 VanDerWaalsContact CA-SG 3.59Å; C25-C96 HydrophobicContact CB-CB 3.6Å; C25-C96 WeakPolarHBondContact CB-SG 3.42Å; C25-C96 WeakPolarHBondContact SG-CA 3.44Å; C25-C96 WeakPolarHBondContact SG-CB 3.18Å; C25-C96 PolarHBondContact SG-N 3.17Å; C25-C96 CovalentContact SG-SG 2Å; C25-C96 PolarHBondContact SG-SG 2.7Å
26	T	66.2	Low	63.4	Low	137 Å²	137	107.8 Å²	107.8	84%	0.84	58%	0.578	S	S	*	*			trans	-78.2	-29.6	-166.1	34.5	0	0	0	0	114.4	K24	K24-T26 PolarHBondContact O-N 3.5Å
27	K	70.9	Confident	65.9	Low	164 Å²	164	105.1 Å²	105.1	71%	0.713	57%	0.569	S	S	*	*	S	Bend	trans	-156.7	141.4	179.6	-64.7	-172.1	-178.8	175.5	0	112.4	C96	K27-C96 PolarHBondContact O-SG 3.45Å
28	P	70.6	Confident	68.4	Low	74 Å²	74	101.9 Å²	101.9	48%	0.481	55%	0.554	S	S	.	*			trans	-62.4	136.5	171.1	25.4	-32	0	0	0	111.1	D94	P28-D94 WeakPolarHBondContact CA-OD1 3.27Å; P28-D94 WeakPolarHBondContact CA-OD2 3.25Å; P28-D94 VanDerWaalsContact CB-OD2 3.24Å; P28-D94 WeakPolarHBondContact CB-OD2 3.42Å
29	R	74.4	Confident	70.9	Confident	209 Å²	209	94 Å²	94	79%	0.789	52%	0.518	S	S	*	.			trans	-87.5	-31.1	-172	-66	-176.1	-178.7	-178.6	2.2	113.7	D94	R29-D94 PolarHBondContact N-OD1 2.85Å; R29-D94 PolarHBondContact N-OD2 2.81Å
30	L	81.3	Confident	73.6	Confident	63 Å²	63	93.4 Å²	93.4	33%	0.33	50%	0.498	S	S	.	.	S	Bend	trans	-120	154.3	-172.3	-69.1	166.5	0	0	0	111.5	A34 I35 L93 R97	L30-A34 HydrophobicContact CD2-CB 4.37Å; L30-I35 HydrophobicContact CB-CD1 4.06Å; L30-I35 HydrophobicContact CB-CG1 3.66Å; L30-I35 HydrophobicContact CD1-CG1 4.11Å; L30-L93 HydrophobicContact CD1-CB 4.24Å; L30-L93 HydrophobicContact CD1-CD2 4.21Å; L30-R97 PolarHBondContact O-NH2 2.99Å
31	T	86.2	Confident	76	Confident	86 Å²	86	92.4 Å²	92.4	53%	0.528	50%	0.496	S	S	.	.			trans	-74.8	152.8	170.7	60.5	0	0	0	0	109.8	A33 A34 I35	T31-A33 PolarHBondContact O-N 2.94Å; T31-A34 PolarHBondContact O-N 3.3Å; T31-A34 VanDerWaalsContact O-N 3.15Å; T31-A34 VanDerWaalsContact OG1-CB 3.32Å; T31-A34 WeakPolarHBondContact OG1-CB 3.18Å; T31-A34 PolarHBondContact OG1-N 3.5Å; T31-I35 WeakPolarHBondContact O-CG1 3.46Å; T31-I35 PolarHBondContact O-N 3.05Å; T31-I35 VanDerWaalsContact O-N 3.12Å
32	P	84.6	Confident	78.1	Confident	59 Å²	59	91 Å²	91	38%	0.383	50%	0.498	S	S	.	.	H	α-helix	trans	-55	-37	176.6	-23.4	31.1	0	0	0	113.2	L36 L100	P32-L36 WeakPolarHBondContact O-CB 3.49Å; P32-L36 PolarHBondContact O-N 3.1Å; P32-L100 HydrophobicContact CB-CD2 4.18Å; P32-L100 HydrophobicContact CG-CD2 4.5Å
33	A	86.2	Confident	80.1	Confident	58 Å²	58	86.9 Å²	86.9	48%	0.479	47%	0.47	S	S	.	.	H	α-helix	trans	-66.2	-45.6	177.6	0	0	0	0	0	112.1	T31 I35 L36 D37	T31-A33 PolarHBondContact O-N 2.94Å; A33-I35 VanDerWaalsContact C-N 3.32Å; A33-I35 PolarHBondContact O-N 3.41Å; A33-L36 WeakPolarHBondContact O-CB 3.43Å; A33-L36 PolarHBondContact O-N 3.46Å; A33-L36 VanDerWaalsContact O-N 3.09Å; A33-D37 VanDerWaalsContact O-CG 3.27Å; A33-D37 PolarHBondContact O-N 2.88Å
34	A	88	Confident	81.8	Confident	31 Å²	31	83.5 Å²	83.5	26%	0.256	46%	0.461	S	S	.	.	H	α-helix	trans	-63.7	-38.1	179	0	0	0	0	0	112.3	L30 T31 L36 D37 V38	L30-A34 HydrophobicContact CD2-CB 4.37Å; T31-A34 PolarHBondContact O-N 3.3Å; T31-A34 VanDerWaalsContact O-N 3.15Å; T31-A34 VanDerWaalsContact OG1-CB 3.32Å; T31-A34 WeakPolarHBondContact OG1-CB 3.18Å; T31-A34 PolarHBondContact OG1-N 3.5Å; A34-L36 VanDerWaalsContact C-N 3.31Å; A34-D37 PolarHBondContact O-N 3.34Å; A34-V38 VanDerWaalsContact O-CG2 3.31Å; A34-V38 WeakPolarHBondContact O-CG2 3.21Å; A34-V38 PolarHBondContact O-N 2.91Å
35	I	87.1	Confident	83.5	Confident	1 Å²	1	81.6 Å²	81.6	1%	0.005	45%	0.449	C	S	.	.	H	α-helix	trans	-61.1	-45.5	173.3	-66.3	172.2	0	0	0	109.8	L30 T31 A33 V38 I39 Y90 L93 D94	L30-I35 HydrophobicContact CB-CD1 4.06Å; L30-I35 HydrophobicContact CB-CG1 3.66Å; L30-I35 HydrophobicContact CD1-CG1 4.11Å; T31-I35 WeakPolarHBondContact O-CG1 3.46Å; T31-I35 PolarHBondContact O-N 3.05Å; T31-I35 VanDerWaalsContact O-N 3.12Å; A33-I35 VanDerWaalsContact C-N 3.32Å; A33-I35 PolarHBondContact O-N 3.41Å; I35-V38 PolarHBondContact O-N 3.11Å; I35-I39 HydrophobicContact CG2-CD1 3.54Å; I35-I39 HydrophobicContact CG2-CG1 4.41Å; I35-I39 WeakPolarHBondContact O-CD1 3.19Å; I35-I39 VanDerWaalsContact O-CG1 3.25Å; I35-I39 WeakPolarHBondContact O-CG1 3.4Å; I35-I39 PolarHBondContact O-N 3.12Å; I35-Y90 HydrophobicContact CG2-CG 4.24Å; I35-L93 HydrophobicContact CG2-CD1 4.49Å; I35-D94 HydrophobicContact CD1-CB 4.08Å
36	L	87.9	Confident	84.8	Confident	37 Å²	37	81.7 Å²	81.7	19%	0.194	45%	0.45	C	S	.	.	H	α-helix	trans	-64.2	-42.9	-180	-163.7	68	0	0	0	112.4	P32 A33 A34 V38 I39 M40 F102 F106	P32-L36 WeakPolarHBondContact O-CB 3.49Å; P32-L36 PolarHBondContact O-N 3.1Å; A33-L36 WeakPolarHBondContact O-CB 3.43Å; A33-L36 PolarHBondContact O-N 3.46Å; A33-L36 VanDerWaalsContact O-N 3.09Å; A34-L36 VanDerWaalsContact C-N 3.31Å; L36-V38 VanDerWaalsContact C-N 3.3Å; L36-V38 PolarHBondContact O-N 3.23Å; L36-I39 PolarHBondContact O-N 3.37Å; L36-M40 HydrophobicContact CD1-CG 3.95Å; L36-M40 HydrophobicContact CG-CG 3.89Å; L36-M40 WeakPolarHBondContact O-CB 3.39Å; L36-M40 WeakPolarHBondContact O-CG 3.42Å; L36-M40 PolarHBondContact O-N 2.9Å; L36-F102 HydrophobicContact CD1-CE1 4.17Å; L36-F102 HydrophobicContact CD1-CZ 4.09Å; L36-F102 HydrophobicContact CD2-CE1 4.28Å; L36-F106 HydrophobicContact CD1-CD2 4.04Å; L36-F106 HydrophobicContact CD1-CE2 3.16Å; L36-F106 HydrophobicContact CD1-CZ 3.54Å; L36-F106 HydrophobicContact CD2-CD2 4.08Å; L36-F106 HydrophobicContact CD2-CE2 3.98Å; L36-F106 HydrophobicContact CG-CE2 4.05Å
37	D	89.4	Confident	85.9	Confident	114 Å²	114	77.1 Å²	77.1	61%	0.61	42%	0.42	S	S	*	.	H	α-helix	trans	-60.4	-41.6	178.4	-67.8	-26.2	0	0	0	111.2	A33 A34 A41	A33-D37 VanDerWaalsContact O-CG 3.27Å; A33-D37 PolarHBondContact O-N 2.88Å; A34-D37 PolarHBondContact O-N 3.34Å; D37-A41 WeakPolarHBondContact O-CB 3.48Å; D37-A41 PolarHBondContact O-N 3.45Å; D37-A41 VanDerWaalsContact O-N 3.08Å
38	V	89.8	Confident	86.6	Confident	80 Å²	80	70.7 Å²	70.7	49%	0.485	40%	0.396	S	S	.	.	H	α-helix	trans	-66.7	-45.3	177.7	174.3	0	0	0	0	111.6	A34 I35 L36 L93	A34-V38 VanDerWaalsContact O-CG2 3.31Å; A34-V38 WeakPolarHBondContact O-CG2 3.21Å; A34-V38 PolarHBondContact O-N 2.91Å; I35-V38 PolarHBondContact O-N 3.11Å; L36-V38 VanDerWaalsContact C-N 3.3Å; L36-V38 PolarHBondContact O-N 3.23Å; V38-L93 HydrophobicContact CG1-CD1 4.22Å; V38-L93 HydrophobicContact CG1-CD2 3.93Å
39	I	89.7	Confident	87.5	Confident	16 Å²	16	68.9 Å²	68.9	8%	0.082	39%	0.39	C	S	.	.	H	α-helix	trans	-67	-46.4	-179.7	-67.7	167.2	0	0	0	110.6	I35 L36 A41 Y43 L88 L93	I35-I39 HydrophobicContact CG2-CD1 3.54Å; I35-I39 HydrophobicContact CG2-CG1 4.41Å; I35-I39 WeakPolarHBondContact O-CD1 3.19Å; I35-I39 VanDerWaalsContact O-CG1 3.25Å; I35-I39 WeakPolarHBondContact O-CG1 3.4Å; I35-I39 PolarHBondContact O-N 3.12Å; L36-I39 PolarHBondContact O-N 3.37Å; I39-A41 VanDerWaalsContact C-N 3.3Å; I39-A41 PolarHBondContact O-N 2.79Å; I39-Y43 PolarHBondContact O-N 3.39Å; I39-L88 HydrophobicContact CG2-CD2 3.48Å; I39-L88 VanDerWaalsContact CG2-CD2 3.48Å; I39-L93 HydrophobicContact CD1-CD1 4.48Å; I39-L93 HydrophobicContact CG1-CD1 4.09Å
40	M	90.1	Very high	88	Confident	50 Å²	50	64.5 Å²	64.5	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-73.8	-19.9	-174.8	-66.7	-59	-59.1	0	0	113.1	L36 N42 Y43 F106 L109 I110	L36-M40 HydrophobicContact CD1-CG 3.95Å; L36-M40 HydrophobicContact CG-CG 3.89Å; L36-M40 WeakPolarHBondContact O-CB 3.39Å; L36-M40 WeakPolarHBondContact O-CG 3.42Å; L36-M40 PolarHBondContact O-N 2.9Å; M40-N42 PolarHBondContact O-N 2.8Å; M40-Y43 HydrophobicContact CE-CD1 4.02Å; M40-Y43 HydrophobicContact CE-CG 4.43Å; M40-Y43 PolarHBondContact O-N 2.89Å; M40-Y43 HydrophobicContact SD-CD1 4.24Å; M40-Y43 HydrophobicContact SD-CG 4.19Å; M40-F106 HydrophobicContact SD-CE2 4.12Å; M40-F106 HydrophobicContact SD-CZ 4.49Å; M40-L109 HydrophobicContact CE-CB 3.88Å; M40-I110 HydrophobicContact SD-CG2 4.46Å
41	A	88.9	Confident	88.4	Confident	78 Å²	78	65.3 Å²	65.3	65%	0.645	39%	0.391	S	S	*	.	H	α-helix	trans	-57	-36.1	177.9	0	0	0	0	0	113.4	D37 I39	D37-A41 WeakPolarHBondContact O-CB 3.48Å; D37-A41 PolarHBondContact O-N 3.45Å; D37-A41 VanDerWaalsContact O-N 3.08Å; I39-A41 VanDerWaalsContact C-N 3.3Å; I39-A41 PolarHBondContact O-N 2.79Å
42	N	86.2	Confident	88.8	Confident	161 Å²	161	61.7 Å²	61.7	86%	0.861	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	8.5	179.1	-73.3	-29.9	0	0	0	113.2	M40	M40-N42 PolarHBondContact O-N 2.8Å
43	Y	91.4	Very high	89.3	Confident	27 Å²	27	61 Å²	61	11%	0.106	37%	0.373	C	S	.	.			trans	-81.9	131	-176.1	-170.6	-93.2	0	0	0	111.7	I39 M40 D85 R87 L88 I110 W111	I39-Y43 PolarHBondContact O-N 3.39Å; M40-Y43 HydrophobicContact CE-CD1 4.02Å; M40-Y43 HydrophobicContact CE-CG 4.43Å; M40-Y43 PolarHBondContact O-N 2.89Å; M40-Y43 HydrophobicContact SD-CD1 4.24Å; M40-Y43 HydrophobicContact SD-CG 4.19Å; Y43-D85 WeakPolarHBondContact CE2-OD2 3.5Å; Y43-D85 PolarHBondContact OH-OD2 3.02Å; Y43-R87 HydrophobicContact CD2-CB 4.07Å; Y43-R87 HydrophobicContact CE2-CB 4.09Å; Y43-R87 PolarHBondContact OH-NH2 3.08Å; Y43-L88 HydrophobicContact CD2-CD2 3.52Å; Y43-L88 HydrophobicContact CD2-CG 4.01Å; Y43-L88 HydrophobicContact CE2-CD1 3.94Å; Y43-L88 HydrophobicContact CE2-CD2 3.5Å; Y43-L88 VanDerWaalsContact CE2-CD2 3.5Å; Y43-L88 HydrophobicContact CE2-CG 3.53Å; Y43-L88 HydrophobicContact CG-CD2 4.22Å; Y43-I110 HydrophobicContact CE1-CB 4.11Å; Y43-I110 HydrophobicContact CE1-CG2 4.23Å; Y43-W111 WeakPolarHBondContact OH-CB 3.44Å; Y43-W111 PolarHBondContact OH-N 3.3Å
44	S	91.2	Very high	89.8	Confident	63 Å²	63	58.3 Å²	58.3	44%	0.441	35%	0.35	S	S	.	.			trans	-114.4	141	172.4	174.2	0	0	0	0	110.2	S46 R87	S44-S46 PolarHBondContact O-N 2.89Å; S44-S46 VanDerWaalsContact O-N 3.08Å; S44-S46 PolarHBondContact OG-N 3.31Å; S44-S46 PolarHBondContact OG-OG 2.89Å; S44-R87 PolarHBondContact O-NH1 2.92Å
45	R	89.6	Confident	90.3	Very high	146 Å²	146	61.3 Å²	61.3	55%	0.551	36%	0.359	S	S	*	.	S	Bend	trans	-74.1	12.3	173	-58.9	-172	-166.8	169	5.9	113.6	K108 L109	R45-K108 PolarHBondContact NE-O 3.12Å; R45-K108 PolarHBondContact NH1-O 3.06Å; R45-K108 PolarHBondContact NH2-O 3.01Å; R45-L109 WeakPolarHBondContact CG-O 3.35Å; R45-L109 PolarHBondContact NE-O 2.98Å
46	S	90.7	Very high	90.8	Very high	61 Å²	61	61.3 Å²	61.3	43%	0.427	36%	0.359	S	S	.	.	S	Bend	trans	-69.3	157.7	169.2	62.9	0	0	0	0	110.6	S44 R87	S44-S46 PolarHBondContact O-N 2.89Å; S44-S46 VanDerWaalsContact O-N 3.08Å; S44-S46 PolarHBondContact OG-N 3.31Å; S44-S46 PolarHBondContact OG-OG 2.89Å; S46-R87 PolarHBondContact O-NH1 3.46Å; S46-R87 PolarHBondContact O-NH2 3.3Å; S46-R87 PolarHBondContact OG-NH1 3.1Å
47	L	89.5	Confident	91.1	Very high	41 Å²	41	61.3 Å²	61.3	22%	0.215	36%	0.358	C	S	.	.			trans	-50.7	125.8	173.3	-168.5	61.6	0	0	0	110	G49 N50 V52 W111 Y178 V183	L47-G49 VanDerWaalsContact C-N 3.29Å; L47-G49 PolarHBondContact O-N 2.9Å; L47-N50 WeakPolarHBondContact CD2-OD1 3.18Å; L47-N50 WeakPolarHBondContact CG-OD1 3.19Å; L47-V52 HydrophobicContact CD1-CG2 3.76Å; L47-V52 HydrophobicContact CG-CG2 4.41Å; L47-W111 HydrophobicContact CD1-CH2 3.89Å; L47-W111 HydrophobicContact CD1-CZ2 3.19Å; L47-Y178 HydrophobicContact CD1-CD1 4.47Å; L47-Y178 HydrophobicContact CD1-CE1 4.39Å; L47-V183 HydrophobicContact CD1-CG2 4.17Å
48	P	86.9	Confident	91.5	Very high	30 Å²	30	55.9 Å²	55.9	20%	0.195	33%	0.329	C	S	.	.	S	Bend	trans	-68.4	-23.8	-175.1	19.1	-28.5	0	0	0	114.5	V52 D85 W111	P48-V52 HydrophobicContact CG-CG2 3.7Å; P48-D85 HydrophobicContact CB-CB 4.45Å; P48-D85 WeakPolarHBondContact CB-OD1 3.4Å; P48-W111 HydrophobicContact CG-CD2 4.36Å; P48-W111 HydrophobicContact CG-CE3 3.88Å; P48-W111 HydrophobicContact CG-CZ3 4.1Å
49	G	88.2	Confident	91.8	Very high	35 Å²	35	52.7 Å²	52.7	36%	0.361	31%	0.31	S	S	.	.	S	Bend	trans	174.5	171.4	-178.7	0	0	0	0	0	110.3	L47 V52	L47-G49 VanDerWaalsContact C-N 3.29Å; L47-G49 PolarHBondContact O-N 2.9Å; G49-V52 WeakPolarHBondContact O-CG2 3.4Å
50	N	85	Confident	92	Very high	118 Å²	118	52 Å²	52	63%	0.631	31%	0.306	S	S	*	.	S	Bend	trans	-127.1	127.1	-175	-64.4	-10.9	0	0	0	111.5	L47	L47-N50 WeakPolarHBondContact CD2-OD1 3.18Å; L47-N50 WeakPolarHBondContact CG-OD1 3.19Å
51	P	89.9	Confident	92.1	Very high	80 Å²	80	52 Å²	52	52%	0.519	31%	0.305	S	S	.	.	S	Bend	cis	-83.1	144.8	-13.9	32.9	-32.3	0	0	0	112	G53 S182	P51-G53 PolarHBondContact O-N 2.65Å; P51-S182 CarbonylContact C-O 3.59Å; P51-S182 VanDerWaalsContact CA-O 3.32Å; P51-S182 WeakPolarHBondContact CA-O 3.29Å
52	V	95	Very high	92.3	Very high	10 Å²	10	51 Å²	51	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	119.6	168.9	-170.5	0	0	0	0	109.2	L47 P48 G49 V54 W83 W111 S182 V183 S184	L47-V52 HydrophobicContact CD1-CG2 3.76Å; L47-V52 HydrophobicContact CG-CG2 4.41Å; P48-V52 HydrophobicContact CG-CG2 3.7Å; G49-V52 WeakPolarHBondContact O-CG2 3.4Å; V52-V54 HydrophobicContact CG1-CG2 4.4Å; V52-V54 PolarHBondContact O-N 3.14Å; V52-W83 HydrophobicContact CG1-CB 4.16Å; V52-W111 HydrophobicContact CB-CH2 3.98Å; V52-W111 HydrophobicContact CB-CZ3 4.36Å; V52-W111 HydrophobicContact CG1-CH2 4.02Å; V52-W111 HydrophobicContact CG1-CZ3 3.93Å; V52-W111 HydrophobicContact CG2-CH2 3.87Å; V52-W111 HydrophobicContact CG2-CZ3 4.21Å; V52-S182 PolarHBondContact N-O 2.82Å; V52-V183 WeakPolarHBondContact O-CA 3.49Å; V52-S184 PolarHBondContact O-N 3.2Å
53	G	95.6	Very high	92.5	Very high	45 Å²	45	43.6 Å²	43.6	46%	0.464	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	118.5	171.2	0	0	0	0	0	110.9	P51	P51-G53 PolarHBondContact O-N 2.65Å
54	V	96.8	Very high	92.4	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.3	177.2	-177.7	0	0	0	0	108.3	V52 V56 I82 W83 P113 V115 V183 S184 V185 N186	V52-V54 HydrophobicContact CG1-CG2 4.4Å; V52-V54 PolarHBondContact O-N 3.14Å; V54-V56 HydrophobicContact CG1-CG2 4.3Å; V54-I82 WeakPolarHBondContact CA-O 3.4Å; V54-W83 HydrophobicContact CG2-CB 4.1Å; V54-P113 HydrophobicContact CG1-CB 4.29Å; V54-P113 HydrophobicContact CG1-CG 4.03Å; V54-P113 HydrophobicContact CG2-CB 3.56Å; V54-P113 HydrophobicContact CG2-CG 4.01Å; V54-V115 HydrophobicContact CG1-CG2 4.22Å; V54-V183 HydrophobicContact CB-CG1 4.38Å; V54-V183 HydrophobicContact CG2-CG1 3.63Å; V54-S184 PolarHBondContact N-O 3.36Å; V54-V185 WeakPolarHBondContact O-CA 3.41Å; V54-N186 PolarHBondContact O-N 2.99Å
55	Q	97.2	Very high	92.4	Very high	93 Å²	93	48.5 Å²	48.5	44%	0.435	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.3	173.1	-67.9	-177.3	-14.6	0	0	109.7	S81 I82 N186	Q55-S81 CarbonylContact O-C 3.57Å; Q55-S81 VanDerWaalsContact O-CA 3.32Å; Q55-S81 WeakPolarHBondContact O-CA 3.4Å; Q55-I82 HydrophobicContact CB-CB 4.42Å; Q55-I82 PolarHBondContact N-O 2.99Å; Q55-I82 PolarHBondContact O-N 3.31Å; Q55-N186 CarbonylContact C-O 3.45Å; Q55-N186 VanDerWaalsContact CA-O 3.3Å; Q55-N186 WeakPolarHBondContact CA-O 3.32Å
56	V	97.2	Very high	92.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.6	-178.5	175.8	0	0	0	0	110	V54 F79 S80 V115 V185 N186 W187 M188 L225	V54-V56 HydrophobicContact CG1-CG2 4.3Å; V56-F79 HydrophobicContact CG1-CD2 4.17Å; V56-F79 HydrophobicContact CG1-CE2 3.44Å; V56-F79 VanDerWaalsContact CG1-CE2 3.44Å; V56-F79 HydrophobicContact CG1-CZ 4.19Å; V56-F79 HydrophobicContact CG2-CE2 4.48Å; V56-F79 HydrophobicContact CG2-CZ 4.47Å; V56-S80 WeakPolarHBondContact CA-O 3.3Å; V56-V115 HydrophobicContact CG2-CG1 4.33Å; V56-V185 HydrophobicContact CG2-CG1 3.65Å; V56-N186 PolarHBondContact N-O 2.97Å; V56-W187 HydrophobicContact CB-CE3 4.49Å; V56-W187 HydrophobicContact CB-CZ3 4.44Å; V56-W187 HydrophobicContact CG1-CE3 4.42Å; V56-W187 HydrophobicContact CG1-CZ3 3.91Å; V56-M188 PolarHBondContact O-N 3.49Å; V56-L225 HydrophobicContact CB-CD1 3.76Å; V56-L225 HydrophobicContact CG1-CD1 4.28Å; V56-L225 HydrophobicContact CG2-CD1 4.03Å
57	E	96.2	Very high	92.5	Very high	37 Å²	37	40.6 Å²	40.6	17%	0.173	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.9	171.8	172.2	-171.8	-158.6	0	0	109	S80 M188 P191 T193	E57-S80 PolarHBondContact N-O 2.91Å; E57-S80 PolarHBondContact O-N 3.5Å; E57-M188 HydrophobicContact CB-CB 4.26Å; E57-M188 HydrophobicContact CB-SD 4.41Å; E57-P191 WeakPolarHBondContact CA-O 3.33Å; E57-T193 PolarHBondContact OE1-OG1 2.95Å
58	V	96.6	Very high	92.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119	176.4	177.8	0	0	0	0	109.2	I77 W78 F79 F173 W187 P191 V192 T193	V58-I77 HydrophobicContact CG1-CB 4.2Å; V58-I77 HydrophobicContact CG1-CD1 4.09Å; V58-I77 HydrophobicContact CG1-CG2 4.38Å; V58-W78 WeakPolarHBondContact CA-O 3.48Å; V58-F79 HydrophobicContact CG2-CD2 4.44Å; V58-F173 HydrophobicContact CG1-CZ 4.47Å; V58-F173 HydrophobicContact CG2-CD2 4.49Å; V58-F173 HydrophobicContact CG2-CE1 4.02Å; V58-F173 HydrophobicContact CG2-CE2 3.65Å; V58-F173 HydrophobicContact CG2-CZ 3.37Å; V58-W187 HydrophobicContact CG2-CH2 4.23Å; V58-W187 HydrophobicContact CG2-CZ3 4.07Å; V58-P191 PolarHBondContact N-O 3.48Å; V58-V192 HydrophobicContact CB-CG2 4.5Å; V58-V192 VanDerWaalsContact O-CA 3.23Å; V58-V192 WeakPolarHBondContact O-CA 3.37Å; V58-T193 PolarHBondContact O-N 3.38Å
59	T	95.5	Very high	92.6	Very high	14 Å²	14	43.3 Å²	43.3	9%	0.086	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.9	168.3	-53.8	0	0	0	0	109.2	Q61 I77 W78 T193 L195	T59-Q61 PolarHBondContact O-N 2.8Å; T59-I77 CarbonylContact O-C 3.57Å; T59-I77 VanDerWaalsContact O-CA 3.26Å; T59-I77 WeakPolarHBondContact O-CA 3.36Å; T59-W78 HydrophobicContact CG2-CE3 3.97Å; T59-W78 HydrophobicContact CG2-CZ3 4.46Å; T59-W78 PolarHBondContact N-O 3.25Å; T59-W78 PolarHBondContact O-N 3.11Å; T59-T193 CarbonylContact C-O 3.57Å; T59-T193 WeakPolarHBondContact CA-O 3.47Å; T59-T193 HydrophobicContact CG2-CG2 4.41Å; T59-L195 HydrophobicContact CG2-CG 4.44Å
60	V	95.1	Very high	92.8	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.3	173.7	-172.6	0	0	0	0	107.9	V63 I77 V192 T193 L195 I198 F229	V60-V63 HydrophobicContact CG1-CG2 3.99Å; V60-I77 HydrophobicContact CG2-CG2 4.45Å; V60-V192 HydrophobicContact CG2-CG1 4.21Å; V60-T193 PolarHBondContact N-O 3.5Å; V60-L195 PolarHBondContact O-N 3.29Å; V60-L195 VanDerWaalsContact O-N 3.09Å; V60-I198 HydrophobicContact CB-CD1 4.16Å; V60-I198 HydrophobicContact CG1-CD1 3.59Å; V60-F229 HydrophobicContact CG2-CE1 3.71Å; V60-F229 HydrophobicContact CG2-CZ 3.77Å
61	Q	92.5	Very high	93.1	Very high	49 Å²	49	42 Å²	42	23%	0.229	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-51.1	179	-179.4	177.4	1.6	0	0	110.6	T59 D76 L195	T59-Q61 PolarHBondContact O-N 2.8Å; Q61-D76 WeakPolarHBondContact CA-O 3.41Å; Q61-D76 HydrophobicContact CB-CB 4.48Å; Q61-D76 WeakPolarHBondContact CB-O 3.35Å; Q61-D76 PolarHBondContact N-O 2.96Å; Q61-L195 HydrophobicContact CB-CD1 4.11Å; Q61-L195 HydrophobicContact CG-CD1 3.79Å
62	D	91.8	Very high	93.4	Very high	59 Å²	59	38.2 Å²	38.2	32%	0.316	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	155.3	178.2	-169.6	21.3	0	0	0	110.4	A75 D76	D62-A75 WeakPolarHBondContact O-CA 3.41Å; D62-D76 PolarHBondContact N-O 2.64Å; D62-D76 PolarHBondContact O-N 3.38Å
63	V	91.8	Very high	93.4	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	105.9	171.9	-172.8	0	0	0	0	108	V60 A75 I198 L200 F231	V60-V63 HydrophobicContact CG1-CG2 3.99Å; V63-A75 HydrophobicContact CG2-CB 4.46Å; V63-I198 HydrophobicContact CB-CG2 4.22Å; V63-I198 HydrophobicContact CG2-CG2 4.06Å; V63-L200 HydrophobicContact CB-CD1 4.36Å; V63-L200 HydrophobicContact CB-CD2 3.73Å; V63-L200 HydrophobicContact CB-CG 4.11Å; V63-L200 HydrophobicContact CG1-CD2 3.49Å; V63-L200 VanDerWaalsContact CG1-CD2 3.49Å; V63-L200 HydrophobicContact CG1-CG 4.41Å; V63-F231 HydrophobicContact CG1-CE1 4.02Å; V63-F231 HydrophobicContact CG1-CZ 4.04Å; V63-F231 HydrophobicContact CG2-CE1 4.26Å; V63-F231 HydrophobicContact CG2-CZ 4.36Å
64	M	88.9	Confident	93.3	Very high	88 Å²	88	36.1 Å²	36.1	43%	0.433	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-51.9	-171.5	-65.7	-175.4	65.8	0	0	112.4	T74 R150	M64-T74 HydrophobicContact CB-CG2 4.21Å; M64-T74 HydrophobicContact CG-CG2 4.4Å; M64-T74 PolarHBondContact N-O 3.43Å; M64-T74 HydrophobicContact SD-CG2 3.87Å; M64-R150 HydrophobicContact SD-CG 4.34Å; M64-R150 VanDerWaalsContact SD-CZ 3.5Å; M64-R150 PolarHBondContact SD-NE 2.82Å
65	E	90.1	Very high	93.2	Very high	104 Å²	104	36.1 Å²	36.1	49%	0.486	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	149.2	-176.5	59.5	172.9	-166	0	0	112.4	F73 T74	E65-F73 WeakPolarHBondContact O-CA 3.19Å; E65-T74 PolarHBondContact N-O 3.35Å; E65-T74 PolarHBondContact O-N 3.02Å
66	L	91.9	Very high	93.1	Very high	15 Å²	15	32.3 Å²	32.3	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	101.7	166	-136.3	86.6	0	0	0	107.7	F73 M157 Q167 F203 F231	L66-F73 HydrophobicContact CD1-CB 3.36Å; L66-F73 HydrophobicContact CD1-CG 4.33Å; L66-F73 HydrophobicContact CG-CB 4.14Å; L66-M157 HydrophobicContact CB-CE 4.44Å; L66-M157 HydrophobicContact CD2-CE 3.93Å; L66-M157 HydrophobicContact CG-CE 3.77Å; L66-Q167 HydrophobicContact CD2-CB 4.05Å; L66-Q167 HydrophobicContact CD2-CG 4.3Å; L66-F203 HydrophobicContact CB-CD2 3.74Å; L66-F203 HydrophobicContact CB-CE2 3.68Å; L66-F203 HydrophobicContact CB-CZ 4.37Å; L66-F203 HydrophobicContact CD2-CD1 4.09Å; L66-F203 HydrophobicContact CD2-CD2 4.07Å; L66-F203 HydrophobicContact CD2-CE1 3.88Å; L66-F203 HydrophobicContact CD2-CE2 3.86Å; L66-F203 HydrophobicContact CD2-CG 4.17Å; L66-F203 HydrophobicContact CD2-CZ 3.72Å; L66-F203 HydrophobicContact CG-CE2 4.4Å; L66-F231 HydrophobicContact CD1-CD1 4.32Å; L66-F231 HydrophobicContact CD1-CD2 3.7Å; L66-F231 HydrophobicContact CD1-CE1 4.3Å; L66-F231 HydrophobicContact CD1-CE2 3.66Å; L66-F231 HydrophobicContact CD1-CG 4.04Å; L66-F231 HydrophobicContact CD1-CZ 3.98Å; L66-F231 HydrophobicContact CD2-CB 4.12Å; L66-F231 HydrophobicContact CD2-CD2 4.19Å; L66-F231 HydrophobicContact CD2-CG 4.19Å
67	S	91.4	Very high	93	Very high	27 Å²	27	32.3 Å²	32.3	19%	0.189	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	108.9	-177.7	174.4	0	0	0	0	111	L69 S70 N71 S72 M157	S67-L69 VanDerWaalsContact C-N 3.31Å; S67-S70 WeakPolarHBondContact CB-OG 3.31Å; S67-S70 PolarHBondContact OG-N 3.13Å; S67-S70 PolarHBondContact OG-OG 3.1Å; S67-N71 PolarHBondContact O-N 2.9Å; S67-N71 VanDerWaalsContact O-N 3.09Å; S67-S72 PolarHBondContact N-O 3.3Å; S67-S72 PolarHBondContact O-N 3.49Å; S67-M157 VanDerWaalsContact O-CE 3.26Å; S67-M157 WeakPolarHBondContact O-CE 3.37Å
68	V	88.9	Confident	93	Very high	16 Å²	16	34.6 Å²	34.6	10%	0.097	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-32.9	174.8	-164.8	0	0	0	0	111.5	N71 M157 L159 F203 P290	V68-N71 PolarHBondContact O-OD1 2.92Å; V68-M157 WeakPolarHBondContact CA-SD 3.47Å; V68-M157 HydrophobicContact CB-SD 3.85Å; V68-M157 HydrophobicContact CG1-SD 3.87Å; V68-M157 HydrophobicContact CG2-SD 3.68Å; V68-L159 HydrophobicContact CG1-CD1 3.63Å; V68-L159 HydrophobicContact CG1-CD2 3.75Å; V68-L159 HydrophobicContact CG1-CG 4.17Å; V68-F203 HydrophobicContact CG2-CZ 4.42Å; V68-P290 HydrophobicContact CG1-CG 3.83Å; V68-P290 WeakPolarHBondContact O-CG 3.19Å
69	L	90.2	Very high	93	Very high	112 Å²	112	35.2 Å²	35.2	59%	0.586	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-39.7	-179.6	-66.7	172	0	0	0	112.5	S67 P290	S67-L69 VanDerWaalsContact C-N 3.31Å; L69-P290 HydrophobicContact CD2-CB 4.43Å
70	S	90.8	Very high	93.1	Very high	52 Å²	52	34.7 Å²	34.7	36%	0.364	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.9	-178.9	62.5	0	0	0	0	114	S67 S72 K121	S67-S70 WeakPolarHBondContact CB-OG 3.31Å; S67-S70 PolarHBondContact OG-N 3.13Å; S67-S70 PolarHBondContact OG-OG 3.1Å; S70-S72 VanDerWaalsContact C-N 3.3Å; S70-S72 PolarHBondContact O-N 3.34Å; S70-S72 PolarHBondContact OG-OG 2.93Å; S70-K121 PolarHBondContact O-NZ 3.26Å
71	N	92.5	Very high	93.2	Very high	73 Å²	73	34.9 Å²	34.9	39%	0.39	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	54.3	-175	-70.2	-44	0	0	0	111.4	S67 V68 K121 P154 C155	S67-N71 PolarHBondContact O-N 2.9Å; S67-N71 VanDerWaalsContact O-N 3.09Å; V68-N71 PolarHBondContact O-OD1 2.92Å; N71-K121 PolarHBondContact O-NZ 3.07Å; N71-K121 VanDerWaalsContact O-NZ 3.1Å; N71-P154 WeakPolarHBondContact O-CA 3.39Å; N71-C155 CarbonylContact C-O 3.59Å; N71-C155 WeakPolarHBondContact CB-O 3.31Å; N71-C155 PolarHBondContact O-N 3.37Å; N71-C155 VanDerWaalsContact O-N 3.1Å
72	S	95	Very high	93.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	151.4	-179.7	56.4	0	0	0	0	112	S67 S70 Q152 S153	S67-S72 PolarHBondContact N-O 3.3Å; S67-S72 PolarHBondContact O-N 3.49Å; S70-S72 VanDerWaalsContact C-N 3.3Å; S70-S72 PolarHBondContact O-N 3.34Å; S70-S72 PolarHBondContact OG-OG 2.93Å; S72-Q152 PolarHBondContact OG-NE2 3.37Å; S72-S153 VanDerWaalsContact CA-O 3.25Å; S72-S153 WeakPolarHBondContact CA-O 3.28Å; S72-S153 WeakPolarHBondContact CB-O 3.41Å
73	F	94.7	Very high	93.6	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.3	165.8	84.9	-80	0	0	0	110.7	E65 L66 A75 Q152 S153 C155 C169 L171 F229	E65-F73 WeakPolarHBondContact O-CA 3.19Å; L66-F73 HydrophobicContact CD1-CB 3.36Å; L66-F73 HydrophobicContact CD1-CG 4.33Å; L66-F73 HydrophobicContact CG-CB 4.14Å; F73-A75 HydrophobicContact CD2-CB 4.25Å; F73-A75 HydrophobicContact CE2-CB 3.97Å; F73-Q152 CarbonylContact O-C 3.58Å; F73-Q152 WeakPolarHBondContact O-CA 3.46Å; F73-S153 VanDerWaalsContact CE1-CB 3.43Å; F73-S153 PolarHBondContact N-O 3.11Å; F73-S153 PolarHBondContact O-N 3.19Å; F73-C155 HydrophobicContact CD1-CB 4.2Å; F73-C169 HydrophobicContact CD1-CB 3.52Å; F73-C169 HydrophobicContact CE1-CB 3.67Å; F73-C169 HydrophobicContact CG-CB 4.06Å; F73-C169 HydrophobicContact CZ-CB 4.36Å; F73-L171 HydrophobicContact CE1-CD2 4.11Å; F73-L171 HydrophobicContact CE2-CD2 4.41Å; F73-L171 HydrophobicContact CZ-CD1 4.39Å; F73-L171 HydrophobicContact CZ-CD2 3.51Å; F73-L171 HydrophobicContact CZ-CG 3.73Å; F73-F229 HydrophobicContact CE2-CD2 4.33Å; F73-F229 HydrophobicContact CE2-CE2 4.5Å; F73-F229 HydrophobicContact CZ-CD2 4.2Å; F73-F229 HydrophobicContact CZ-CE2 4.39Å
74	T	94.6	Very high	93.8	Very high	10 Å²	10	36.9 Å²	36.9	6%	0.061	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.1	179.4	-55.2	0	0	0	0	109	M64 E65 R150 V151	M64-T74 HydrophobicContact CB-CG2 4.21Å; M64-T74 HydrophobicContact CG-CG2 4.4Å; M64-T74 PolarHBondContact N-O 3.43Å; M64-T74 HydrophobicContact SD-CG2 3.87Å; E65-T74 PolarHBondContact N-O 3.35Å; E65-T74 PolarHBondContact O-N 3.02Å; T74-R150 HydrophobicContact CG2-CG 4Å; T74-V151 CarbonylContact C-O 3.56Å; T74-V151 VanDerWaalsContact CA-O 3.32Å; T74-V151 WeakPolarHBondContact CA-O 3.29Å
75	A	94.5	Very high	94.1	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.017	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	145.8	178.6	0	0	0	0	0	111.1	D62 V63 F73 I77 V151	D62-A75 WeakPolarHBondContact O-CA 3.41Å; V63-A75 HydrophobicContact CG2-CB 4.46Å; F73-A75 HydrophobicContact CD2-CB 4.25Å; F73-A75 HydrophobicContact CE2-CB 3.97Å; A75-I77 HydrophobicContact CB-CG2 4.1Å; A75-V151 HydrophobicContact CB-CG1 4.35Å; A75-V151 PolarHBondContact N-O 3.25Å; A75-V151 WeakPolarHBondContact O-CG1 3.1Å; A75-V151 PolarHBondContact O-N 3.42Å
76	D	94.7	Very high	94.2	Very high	13 Å²	13	30.9 Å²	30.9	7%	0.07	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.5	166.5	-80.1	-20.3	0	0	0	107.6	Q61 D62 H126 I149 R150	Q61-D76 WeakPolarHBondContact CA-O 3.41Å; Q61-D76 HydrophobicContact CB-CB 4.48Å; Q61-D76 WeakPolarHBondContact CB-O 3.35Å; Q61-D76 PolarHBondContact N-O 2.96Å; D62-D76 PolarHBondContact N-O 2.64Å; D62-D76 PolarHBondContact O-N 3.38Å; D76-H126 IonicContact OD1-CE1 2.69Å; D76-H126 PolarHBondContact OD1-CE1 3.39Å; D76-H126 IonicContact OD1-NE2 2.8Å; D76-H126 PolarHBondContact OD1-NE2 2.98Å; D76-H126 IonicContact OD2-CE1 3.81Å; D76-H126 PolarHBondContact OD2-CE1 3.19Å; D76-H126 VanDerWaalsContact OD2-CE1 3.24Å; D76-H126 IonicContact OD2-NE2 3.62Å; D76-H126 PolarHBondContact OD2-NE2 3.32Å; D76-I149 WeakPolarHBondContact CA-O 3.25Å; D76-R150 VanDerWaalsContact OD1-CA 3.27Å; D76-R150 WeakPolarHBondContact OD1-CA 3.46Å; D76-R150 WeakPolarHBondContact OD1-CB 3.47Å; D76-R150 WeakPolarHBondContact OD1-CG 3.48Å; D76-R150 IonicContact OD1-NE 2.89Å; D76-R150 PolarHBondContact OD1-NE 3.38Å; D76-R150 VanDerWaalsContact OD1-NE 3.16Å; D76-R150 IonicContact OD1-NH2 2.61Å; D76-R150 IonicContact OD2-NE 3.07Å; D76-R150 IonicContact OD2-NH2 3.32Å; D76-R150 PolarHBondContact OD2-NH2 2.93Å
77	I	96	Very high	94.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151.4	-177.2	67.8	173.4	0	0	0	111.1	V58 T59 V60 A75 I117 I149 V151 L171 F173	V58-I77 HydrophobicContact CG1-CB 4.2Å; V58-I77 HydrophobicContact CG1-CD1 4.09Å; V58-I77 HydrophobicContact CG1-CG2 4.38Å; T59-I77 CarbonylContact O-C 3.57Å; T59-I77 VanDerWaalsContact O-CA 3.26Å; T59-I77 WeakPolarHBondContact O-CA 3.36Å; V60-I77 HydrophobicContact CG2-CG2 4.45Å; A75-I77 HydrophobicContact CB-CG2 4.1Å; I77-I117 HydrophobicContact CD1-CD1 3.99Å; I77-I149 HydrophobicContact CD1-CD1 3.93Å; I77-I149 HydrophobicContact CD1-CG1 4.14Å; I77-I149 HydrophobicContact CG1-CD1 3.89Å; I77-I149 HydrophobicContact CG1-CG1 3.51Å; I77-I149 PolarHBondContact N-O 3.43Å; I77-I149 PolarHBondContact O-N 3.11Å; I77-V151 HydrophobicContact CD1-CG1 3.94Å; I77-V151 HydrophobicContact CG1-CG1 4.12Å; I77-V151 HydrophobicContact CG2-CG1 4.46Å; I77-L171 HydrophobicContact CD1-CD1 3.88Å; I77-F173 HydrophobicContact CD1-CZ 4.23Å
78	W	96.4	Very high	94.3	Very high	86 Å²	86	32.7 Å²	32.7	33%	0.326	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.7	162.2	-53.3	-19.3	0	0	0	108.8	V58 T59 Y147	V58-W78 WeakPolarHBondContact CA-O 3.48Å; T59-W78 HydrophobicContact CG2-CE3 3.97Å; T59-W78 HydrophobicContact CG2-CZ3 4.46Å; T59-W78 PolarHBondContact N-O 3.25Å; T59-W78 PolarHBondContact O-N 3.11Å; W78-Y147 CarbonylContact C-O 3.43Å; W78-Y147 VanDerWaalsContact CA-O 3.28Å; W78-Y147 WeakPolarHBondContact CA-O 3.23Å
79	F	96.6	Very high	94.5	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.057	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.8	177.6	173.9	-107	0	0	0	109	V56 V58 V115 N146 Y147 I149 F173	V56-F79 HydrophobicContact CG1-CD2 4.17Å; V56-F79 HydrophobicContact CG1-CE2 3.44Å; V56-F79 VanDerWaalsContact CG1-CE2 3.44Å; V56-F79 HydrophobicContact CG1-CZ 4.19Å; V56-F79 HydrophobicContact CG2-CE2 4.48Å; V56-F79 HydrophobicContact CG2-CZ 4.47Å; V58-F79 HydrophobicContact CG2-CD2 4.44Å; F79-V115 HydrophobicContact CE1-CB 4.44Å; F79-V115 HydrophobicContact CE2-CG1 4.2Å; F79-V115 HydrophobicContact CZ-CB 3.83Å; F79-V115 HydrophobicContact CZ-CG1 3.59Å; F79-N146 CarbonylContact O-C 3.55Å; F79-N146 VanDerWaalsContact O-CA 3.29Å; F79-N146 WeakPolarHBondContact O-CA 3.36Å; F79-Y147 HydrophobicContact CD1-CD2 4.13Å; F79-Y147 PolarHBondContact N-O 3.21Å; F79-Y147 PolarHBondContact O-N 3.31Å; F79-I149 HydrophobicContact CB-CD1 4.12Å; F79-F173 AromaticContact CD2-CD1 3.72Å; F79-F173 HydrophobicContact CD2-CD1 3.72Å; F79-F173 AromaticContact CD2-CE1 3.44Å; F79-F173 HydrophobicContact CD2-CE1 3.44Å; F79-F173 VanDerWaalsContact CD2-CE1 3.44Å; F79-F173 HydrophobicContact CD2-CZ 4.4Å; F79-F173 AromaticContact CE2-CD1 3.39Å; F79-F173 HydrophobicContact CE2-CD1 3.39Å; F79-F173 AromaticContact CE2-CE1 3.66Å; F79-F173 HydrophobicContact CE2-CE1 3.66Å; F79-F173 HydrophobicContact CE2-CG 4.29Å; F79-F173 HydrophobicContact CG-CE1 4.43Å; F79-F173 HydrophobicContact CZ-CD1 4.32Å
80	S	96.6	Very high	94.5	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.4	177.7	-76.1	0	0	0	0	110.2	V56 E57 W144 L145 N146	V56-S80 WeakPolarHBondContact CA-O 3.3Å; E57-S80 PolarHBondContact N-O 2.91Å; E57-S80 PolarHBondContact O-N 3.5Å; S80-W144 PolarHBondContact OG-NE1 3.07Å; S80-L145 CarbonylContact C-O 3.58Å; S80-L145 WeakPolarHBondContact CA-O 3.49Å; S80-N146 PolarHBondContact OG-ND2 3.05Å
81	S	96.5	Very high	94.4	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.028	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.5	169.3	56.7	0	0	0	0	109.8	Q55 L145	Q55-S81 CarbonylContact O-C 3.57Å; Q55-S81 VanDerWaalsContact O-CA 3.32Å; Q55-S81 WeakPolarHBondContact O-CA 3.4Å; S81-L145 PolarHBondContact N-O 3.23Å; S81-L145 PolarHBondContact O-N 2.89Å; S81-L145 PolarHBondContact OG-O 3.46Å
82	I	96.6	Very high	94.2	Very high	32 Å²	32	30.4 Å²	30.4	16%	0.164	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.9	-178.4	-56.5	174	0	0	0	108.3	V54 Q55 T142 I143 W144 M188	V54-I82 WeakPolarHBondContact CA-O 3.4Å; Q55-I82 HydrophobicContact CB-CB 4.42Å; Q55-I82 PolarHBondContact N-O 2.99Å; Q55-I82 PolarHBondContact O-N 3.31Å; I82-T142 HydrophobicContact CG2-CG2 3.56Å; I82-I143 VanDerWaalsContact CA-O 3.26Å; I82-I143 WeakPolarHBondContact CA-O 3.39Å; I82-W144 HydrophobicContact CD1-CG 4.34Å; I82-W144 HydrophobicContact CG1-CB 4.18Å; I82-W144 HydrophobicContact CG1-CG 4Å; I82-M188 HydrophobicContact CD1-CE 4.08Å; I82-M188 HydrophobicContact CD1-SD 4.14Å
83	W	96.4	Very high	93.8	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.015	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	164.3	175.1	69.7	95.8	0	0	0	111.1	V52 V54 I110 W111 P113 T142 I143 L145	V52-W83 HydrophobicContact CG1-CB 4.16Å; V54-W83 HydrophobicContact CG2-CB 4.1Å; W83-I110 HydrophobicContact CZ2-CD1 4.24Å; W83-W111 AromaticContact CD1-CZ3 3.78Å; W83-W111 HydrophobicContact CG-CZ3 4.35Å; W83-W111 WeakPolarHBondContact CZ2-O 3.47Å; W83-W111 AromaticContact NE1-CE3 3.83Å; W83-W111 AromaticContact NE1-CZ3 3.84Å; W83-P113 HydrophobicContact CD2-CG 4.27Å; W83-P113 HydrophobicContact CE3-CG 3.96Å; W83-P113 HydrophobicContact CZ3-CG 4.15Å; W83-T142 CarbonylContact O-C 3.58Å; W83-T142 WeakPolarHBondContact O-CA 3.18Å; W83-I143 HydrophobicContact CD2-CB 4.16Å; W83-I143 HydrophobicContact CE3-CB 4.49Å; W83-I143 HydrophobicContact CE3-CG2 4.48Å; W83-I143 HydrophobicContact CH2-CB 4.27Å; W83-I143 HydrophobicContact CH2-CG2 3.59Å; W83-I143 HydrophobicContact CZ2-CB 3.92Å; W83-I143 HydrophobicContact CZ2-CD1 3.69Å; W83-I143 HydrophobicContact CZ2-CG1 4.44Å; W83-I143 HydrophobicContact CZ2-CG2 3.61Å; W83-I143 HydrophobicContact CZ3-CG2 4.04Å; W83-I143 PolarHBondContact N-O 2.9Å; W83-I143 VanDerWaalsContact N-O 3.08Å; W83-I143 PolarHBondContact O-N 3.39Å; W83-L145 HydrophobicContact CH2-CB 3.84Å; W83-L145 HydrophobicContact CH2-CD2 3.74Å; W83-L145 HydrophobicContact CH2-CG 4.47Å; W83-L145 HydrophobicContact CZ3-CB 3.67Å; W83-L145 HydrophobicContact CZ3-CD2 4.07Å
84	Y	95.8	Very high	93.2	Very high	120 Å²	120	32.5 Å²	32.5	47%	0.471	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.4	-179.5	178.7	-108.8	0	0	0	110.5	P86 N140	Y84-P86 HydrophobicContact CE1-CB 3.94Å; Y84-P86 HydrophobicContact CE1-CG 4.17Å; Y84-N140 WeakPolarHBondContact CE2-O 3.48Å
85	D	95.3	Very high	92.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.			trans	-123.6	102.7	170.7	-171.3	-16.4	0	0	0	109.4	Y43 P48 R87 L88 G141 I143	Y43-D85 WeakPolarHBondContact CE2-OD2 3.5Å; Y43-D85 PolarHBondContact OH-OD2 3.02Å; P48-D85 HydrophobicContact CB-CB 4.45Å; P48-D85 WeakPolarHBondContact CB-OD1 3.4Å; D85-R87 PolarHBondContact O-N 3.47Å; D85-R87 VanDerWaalsContact O-N 3.1Å; D85-R87 VanDerWaalsContact OD1-CB 3.28Å; D85-R87 WeakPolarHBondContact OD1-CB 3.14Å; D85-R87 WeakPolarHBondContact OD1-CG 3.24Å; D85-R87 IonicContact OD1-CZ 3.76Å; D85-R87 PolarHBondContact OD1-N 3.12Å; D85-R87 IonicContact OD1-NE 2.93Å; D85-R87 PolarHBondContact OD1-NE 2.88Å; D85-R87 IonicContact OD1-NH2 3.73Å; D85-R87 IonicContact OD2-CZ 3.53Å; D85-R87 IonicContact OD2-NE 3.41Å; D85-R87 PolarHBondContact OD2-NE 3.06Å; D85-R87 IonicContact OD2-NH2 2.81Å; D85-R87 PolarHBondContact OD2-NH2 3.25Å; D85-L88 HydrophobicContact CB-CD1 4.17Å; D85-L88 HydrophobicContact CB-CG 4.47Å; D85-L88 PolarHBondContact O-N 2.97Å; D85-L88 VanDerWaalsContact O-N 3.11Å; D85-G141 PolarHBondContact N-O 3.02Å; D85-G141 WeakPolarHBondContact O-CA 3.17Å; D85-G141 VanDerWaalsContact O-O 3.13Å; D85-I143 HydrophobicContact CB-CD1 4.35Å
86	P	93.3	Very high	92.1	Very high	66 Å²	66	39.4 Å²	39.4	43%	0.429	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-62.7	-20.4	-177.2	25.3	-33.9	0	0	0	113.2	Y84 L88 A89	Y84-P86 HydrophobicContact CE1-CB 3.94Å; Y84-P86 HydrophobicContact CE1-CG 4.17Å; P86-L88 PolarHBondContact O-N 3.07Å; P86-A89 VanDerWaalsContact O-CB 3.31Å; P86-A89 WeakPolarHBondContact O-CB 3.48Å; P86-A89 PolarHBondContact O-N 3.24Å
87	R	92.6	Very high	91.6	Very high	78 Å²	78	41 Å²	41	29%	0.294	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-71.8	-16.6	179.8	-54.8	171.6	-63.2	176.1	4.8	112.5	Y43 S44 S46 D85	Y43-R87 HydrophobicContact CD2-CB 4.07Å; Y43-R87 HydrophobicContact CE2-CB 4.09Å; Y43-R87 PolarHBondContact OH-NH2 3.08Å; S44-R87 PolarHBondContact O-NH1 2.92Å; S46-R87 PolarHBondContact O-NH1 3.46Å; S46-R87 PolarHBondContact O-NH2 3.3Å; S46-R87 PolarHBondContact OG-NH1 3.1Å; D85-R87 PolarHBondContact O-N 3.47Å; D85-R87 VanDerWaalsContact O-N 3.1Å; D85-R87 VanDerWaalsContact OD1-CB 3.28Å; D85-R87 WeakPolarHBondContact OD1-CB 3.14Å; D85-R87 WeakPolarHBondContact OD1-CG 3.24Å; D85-R87 IonicContact OD1-CZ 3.76Å; D85-R87 PolarHBondContact OD1-N 3.12Å; D85-R87 IonicContact OD1-NE 2.93Å; D85-R87 PolarHBondContact OD1-NE 2.88Å; D85-R87 IonicContact OD1-NH2 3.73Å; D85-R87 IonicContact OD2-CZ 3.53Å; D85-R87 IonicContact OD2-NE 3.41Å; D85-R87 PolarHBondContact OD2-NE 3.06Å; D85-R87 IonicContact OD2-NH2 2.81Å; D85-R87 PolarHBondContact OD2-NH2 3.25Å
88	L	93	Very high	91.3	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-101.4	3.3	177.4	-63.5	172.1	0	0	0	112.7	I39 Y43 D85 P86 Y90 I110 L137 I143	I39-L88 HydrophobicContact CG2-CD2 3.48Å; I39-L88 VanDerWaalsContact CG2-CD2 3.48Å; Y43-L88 HydrophobicContact CD2-CD2 3.52Å; Y43-L88 HydrophobicContact CD2-CG 4.01Å; Y43-L88 HydrophobicContact CE2-CD1 3.94Å; Y43-L88 HydrophobicContact CE2-CD2 3.5Å; Y43-L88 VanDerWaalsContact CE2-CD2 3.5Å; Y43-L88 HydrophobicContact CE2-CG 3.53Å; Y43-L88 HydrophobicContact CG-CD2 4.22Å; D85-L88 HydrophobicContact CB-CD1 4.17Å; D85-L88 HydrophobicContact CB-CG 4.47Å; D85-L88 PolarHBondContact O-N 2.97Å; D85-L88 VanDerWaalsContact O-N 3.11Å; P86-L88 PolarHBondContact O-N 3.07Å; L88-Y90 PolarHBondContact O-N 3.06Å; L88-I110 HydrophobicContact CD1-CB 4.41Å; L88-I110 HydrophobicContact CD1-CG2 4.04Å; L88-I110 HydrophobicContact CD2-CG2 4.28Å; L88-L137 HydrophobicContact CB-CD1 3.79Å; L88-L137 HydrophobicContact CB-CD2 4.38Å; L88-L137 HydrophobicContact CD1-CD1 4.34Å; L88-I143 HydrophobicContact CD1-CD1 3.34Å; L88-I143 HydrophobicContact CD1-CG1 4.16Å
89	A	92.5	Very high	91.1	Very high	17 Å²	17	48.4 Å²	48.4	14%	0.14	24%	0.243	C	C	.	.			trans	-64.9	130.7	176.5	0	0	0	0	0	110.6	P86 H92 N140	P86-A89 VanDerWaalsContact O-CB 3.31Å; P86-A89 WeakPolarHBondContact O-CB 3.48Å; P86-A89 PolarHBondContact O-N 3.24Å; A89-H92 PolarHBondContact O-CE1 3.14Å; A89-H92 PolarHBondContact O-ND1 3Å; A89-N140 VanDerWaalsContact CB-O 3.29Å; A89-N140 WeakPolarHBondContact CB-O 3.37Å
90	Y	91.1	Very high	90.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.			trans	-125.4	5	-176.8	63.3	-96	0	0	0	113.9	I35 L88 H92 L93 D94 R97 Q98 N99 L100 L137 L138 P139	I35-Y90 HydrophobicContact CG2-CG 4.24Å; L88-Y90 PolarHBondContact O-N 3.06Å; Y90-H92 PolarHBondContact O-N 3.48Å; Y90-L93 WeakPolarHBondContact O-CB 3.28Å; Y90-L93 PolarHBondContact O-N 3.25Å; Y90-D94 PolarHBondContact O-N 3.31Å; Y90-D94 VanDerWaalsContact O-N 3.1Å; Y90-R97 HydrophobicContact CE2-CB 4.24Å; Y90-R97 HydrophobicContact CE2-CG 3.99Å; Y90-Q98 PolarHBondContact OH-O 3.32Å; Y90-Q98 VanDerWaalsContact OH-O 3.08Å; Y90-N99 WeakPolarHBondContact OH-CA 3.23Å; Y90-L100 HydrophobicContact CD1-CD1 4.34Å; Y90-L100 HydrophobicContact CE1-CD1 3.97Å; Y90-L100 HydrophobicContact CE1-CG 4.31Å; Y90-L100 HydrophobicContact CE2-CD1 4.39Å; Y90-L100 PolarHBondContact OH-N 3.31Å; Y90-L137 HydrophobicContact CD1-CD2 3.83Å; Y90-L137 HydrophobicContact CD1-CG 4.22Å; Y90-L137 HydrophobicContact CE1-CB 4.47Å; Y90-L137 HydrophobicContact CE1-CD2 3.8Å; Y90-L137 HydrophobicContact CE1-CG 3.8Å; Y90-L137 PolarHBondContact OH-O 2.93Å; Y90-L138 WeakPolarHBondContact CE1-O 3.24Å; Y90-P139 HydrophobicContact CE2-CB 4.01Å; Y90-P139 HydrophobicContact CE2-CG 4.07Å; Y90-P139 VanDerWaalsContact CZ-CA 3.44Å; Y90-P139 PolarHBondContact N-O 2.89Å; Y90-P139 VanDerWaalsContact N-O 3.09Å; Y90-P139 WeakPolarHBondContact OH-CD 3.43Å
91	S	88.7	Confident	90.6	Very high	48 Å²	48	52.4 Å²	52.4	34%	0.336	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-46.3	172.7	53.6	0	0	0	0	111.5	L93 D94 N95 P139	S91-L93 PolarHBondContact O-N 3.03Å; S91-L93 VanDerWaalsContact O-N 3.15Å; S91-D94 CarbonylContact O-C 3.58Å; S91-D94 PolarHBondContact O-N 2.91Å; S91-N95 PolarHBondContact O-N 2.97Å; S91-N95 VanDerWaalsContact O-N 3.1Å; S91-N95 PolarHBondContact O-OD1 3.49Å; S91-P139 PolarHBondContact N-O 3.28Å
92	H	87.3	Confident	90.4	Very high	140 Å²	140	54.1 Å²	54.1	65%	0.648	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.9	179	71.6	-82	0	0	0	115.2	A89 Y90	A89-H92 PolarHBondContact O-CE1 3.14Å; A89-H92 PolarHBondContact O-ND1 3Å; Y90-H92 PolarHBondContact O-N 3.48Å
93	L	85.7	Confident	90	Very high	42 Å²	42	55.2 Å²	55.2	22%	0.22	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-41.1	178	-73.8	149.6	0	0	0	111.6	L30 I35 V38 I39 Y90 S91	L30-L93 HydrophobicContact CD1-CB 4.24Å; L30-L93 HydrophobicContact CD1-CD2 4.21Å; I35-L93 HydrophobicContact CG2-CD1 4.49Å; V38-L93 HydrophobicContact CG1-CD1 4.22Å; V38-L93 HydrophobicContact CG1-CD2 3.93Å; I39-L93 HydrophobicContact CD1-CD1 4.48Å; I39-L93 HydrophobicContact CG1-CD1 4.09Å; Y90-L93 WeakPolarHBondContact O-CB 3.28Å; Y90-L93 PolarHBondContact O-N 3.25Å; S91-L93 PolarHBondContact O-N 3.03Å; S91-L93 VanDerWaalsContact O-N 3.15Å
94	D	82.9	Confident	89.6	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.292	C	S	.	.			trans	-149.1	82.8	-175.6	-162.8	1.3	0	0	0	111.5	P28 R29 I35 Y90 S91 C96 R97	P28-D94 WeakPolarHBondContact CA-OD1 3.27Å; P28-D94 WeakPolarHBondContact CA-OD2 3.25Å; P28-D94 VanDerWaalsContact CB-OD2 3.24Å; P28-D94 WeakPolarHBondContact CB-OD2 3.42Å; R29-D94 PolarHBondContact N-OD1 2.85Å; R29-D94 PolarHBondContact N-OD2 2.81Å; I35-D94 HydrophobicContact CD1-CB 4.08Å; Y90-D94 PolarHBondContact O-N 3.31Å; Y90-D94 VanDerWaalsContact O-N 3.1Å; S91-D94 CarbonylContact O-C 3.58Å; S91-D94 PolarHBondContact O-N 2.91Å; D94-C96 PolarHBondContact O-N 2.6Å; D94-C96 VanDerWaalsContact O-N 3.09Å; D94-R97 HydrophobicContact CB-CB 4.02Å; D94-R97 PolarHBondContact O-N 2.91Å; D94-R97 VanDerWaalsContact O-N 3.12Å; D94-R97 IonicContact OD2-NE 3.18Å; D94-R97 PolarHBondContact OD2-NE 3.44Å
95	N	81.7	Confident	89.3	Confident	123 Å²	123	59.3 Å²	59.3	66%	0.658	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.1	179.9	-80	-24.6	0	0	0	113.7	S91	S91-N95 PolarHBondContact O-N 2.97Å; S91-N95 VanDerWaalsContact O-N 3.1Å; S91-N95 PolarHBondContact O-OD1 3.49Å
96	C	84.7	Confident	89	Confident	34 Å²	34	59.5 Å²	59.5	23%	0.23	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-15.7	-177	-45	0	0	0	0	113.1	C25 K27 D94	C25-C96 VanDerWaalsContact CA-SG 3.59Å; C25-C96 HydrophobicContact CB-CB 3.6Å; C25-C96 WeakPolarHBondContact CB-SG 3.42Å; C25-C96 WeakPolarHBondContact SG-CA 3.44Å; C25-C96 WeakPolarHBondContact SG-CB 3.18Å; C25-C96 PolarHBondContact SG-N 3.17Å; C25-C96 CovalentContact SG-SG 2Å; C25-C96 PolarHBondContact SG-SG 2.7Å; K27-C96 PolarHBondContact O-SG 3.45Å; D94-C96 PolarHBondContact O-N 2.6Å; D94-C96 VanDerWaalsContact O-N 3.09Å
97	R	84.8	Confident	88.8	Confident	47 Å²	47	57.9 Å²	57.9	18%	0.177	29%	0.289	C	S	.	.			trans	-83	130	-167.6	178.4	167.7	-77.6	-83.5	5	111.2	L30 Y90 D94 L100 P139	L30-R97 PolarHBondContact O-NH2 2.99Å; Y90-R97 HydrophobicContact CE2-CB 4.24Å; Y90-R97 HydrophobicContact CE2-CG 3.99Å; D94-R97 HydrophobicContact CB-CB 4.02Å; D94-R97 PolarHBondContact O-N 2.91Å; D94-R97 VanDerWaalsContact O-N 3.12Å; D94-R97 IonicContact OD2-NE 3.18Å; D94-R97 PolarHBondContact OD2-NE 3.44Å; R97-L100 HydrophobicContact CG-CD2 4.42Å; R97-P139 WeakPolarHBondContact O-CG 3.27Å
98	Q	88.3	Confident	88.7	Confident	164 Å²	164	59.5 Å²	59.5	77%	0.766	30%	0.298	S	S	*	.			trans	-77.9	-179.2	171.6	-64.1	-173.4	-11.2	0	0	111.5	Y90 L100	Y90-Q98 PolarHBondContact OH-O 3.32Å; Y90-Q98 VanDerWaalsContact OH-O 3.08Å; Q98-L100 PolarHBondContact O-N 2.94Å
99	N	92	Very high	88.6	Confident	77 Å²	77	63 Å²	63	41%	0.412	32%	0.316	S	S	.	.			trans	-46.8	135	-179.6	-52.2	-21.7	0	0	0	112.9	Y90 M136 L137 P139	Y90-N99 WeakPolarHBondContact OH-CA 3.23Å; N99-M136 HydrophobicContact CB-CE 3.97Å; N99-M136 HydrophobicContact CB-CG 3.77Å; N99-M136 HydrophobicContact CB-SD 3.68Å; N99-M136 WeakPolarHBondContact ND2-CE 3.25Å; N99-L137 WeakPolarHBondContact CA-O 3.42Å; N99-P139 WeakPolarHBondContact OD1-CD 3.18Å
100	L	91.8	Very high	88.6	Confident	13 Å²	13	62.5 Å²	62.5	7%	0.068	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.7	174.7	-69.1	175.5	0	0	0	109.2	P32 Y90 R97 Q98 F102 M136 L137	P32-L100 HydrophobicContact CB-CD2 4.18Å; P32-L100 HydrophobicContact CG-CD2 4.5Å; Y90-L100 HydrophobicContact CD1-CD1 4.34Å; Y90-L100 HydrophobicContact CE1-CD1 3.97Å; Y90-L100 HydrophobicContact CE1-CG 4.31Å; Y90-L100 HydrophobicContact CE2-CD1 4.39Å; Y90-L100 PolarHBondContact OH-N 3.31Å; R97-L100 HydrophobicContact CG-CD2 4.42Å; Q98-L100 PolarHBondContact O-N 2.94Å; L100-F102 HydrophobicContact CB-CD2 4.4Å; L100-F102 HydrophobicContact CB-CE2 3.58Å; L100-F102 HydrophobicContact CB-CZ 3.81Å; L100-F102 HydrophobicContact CD1-CE2 4.45Å; L100-F102 HydrophobicContact CD1-CZ 4.03Å; L100-M136 CarbonylContact O-C 3.55Å; L100-M136 VanDerWaalsContact O-CA 3.32Å; L100-M136 WeakPolarHBondContact O-CA 3.5Å; L100-L137 HydrophobicContact CB-CB 4.43Å; L100-L137 PolarHBondContact N-O 3.25Å; L100-L137 PolarHBondContact O-N 3.49Å
101	S	92.2	Very high	88.8	Confident	86 Å²	86	62.7 Å²	62.7	60%	0.601	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.6	174.2	-58.1	0	0	0	0	110.3	L135	S101-L135 CarbonylContact C-O 3.59Å; S101-L135 WeakPolarHBondContact CA-O 3.36Å
102	F	91.4	Very high	89	Confident	40 Å²	40	61.2 Å²	61.2	18%	0.175	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	162.9	-177.9	-59.3	-83.5	0	0	0	111.7	L36 L100 F106 L135 L137	L36-F102 HydrophobicContact CD1-CE1 4.17Å; L36-F102 HydrophobicContact CD1-CZ 4.09Å; L36-F102 HydrophobicContact CD2-CE1 4.28Å; L100-F102 HydrophobicContact CB-CD2 4.4Å; L100-F102 HydrophobicContact CB-CE2 3.58Å; L100-F102 HydrophobicContact CB-CZ 3.81Å; L100-F102 HydrophobicContact CD1-CE2 4.45Å; L100-F102 HydrophobicContact CD1-CZ 4.03Å; F102-F106 HydrophobicContact CB-CB 3.57Å; F102-F106 HydrophobicContact CB-CD1 3.81Å; F102-F106 HydrophobicContact CB-CG 3.89Å; F102-F106 HydrophobicContact CD1-CB 4.15Å; F102-F106 HydrophobicContact CD1-CD1 4.09Å; F102-F106 HydrophobicContact CD1-CD2 4.27Å; F102-F106 AromaticContact CD1-CG 3.88Å; F102-F106 HydrophobicContact CD1-CG 3.88Å; F102-F106 AromaticContact CD2-CD1 3.58Å; F102-F106 HydrophobicContact CD2-CD1 3.58Å; F102-F106 AromaticContact CD2-CE1 3.83Å; F102-F106 HydrophobicContact CD2-CE1 3.83Å; F102-F106 HydrophobicContact CD2-CG 4.22Å; F102-F106 HydrophobicContact CE1-CD2 4.47Å; F102-F106 HydrophobicContact CE1-CG 4.43Å; F102-F106 HydrophobicContact CE2-CD1 4.07Å; F102-F106 AromaticContact CE2-CE1 3.86Å; F102-F106 HydrophobicContact CE2-CE1 3.86Å; F102-F106 HydrophobicContact CE2-CZ 4.39Å; F102-F106 HydrophobicContact CG-CB 3.97Å; F102-F106 AromaticContact CG-CD1 3.56Å; F102-F106 HydrophobicContact CG-CD1 3.56Å; F102-F106 HydrophobicContact CG-CE1 4.2Å; F102-F106 AromaticContact CG-CG 3.74Å; F102-F106 HydrophobicContact CG-CG 3.74Å; F102-F106 HydrophobicContact CZ-CE1 4.3Å; F102-F106 HydrophobicContact CZ-CZ 4.42Å; F102-L135 HydrophobicContact CB-CB 4.43Å; F102-L135 HydrophobicContact CB-CD2 4.26Å; F102-L135 HydrophobicContact CD2-CD2 3.79Å; F102-L135 HydrophobicContact CG-CD2 4.46Å; F102-L135 PolarHBondContact N-O 3.39Å; F102-L137 HydrophobicContact CD2-CB 4.44Å; F102-L137 HydrophobicContact CE2-CB 3.85Å; F102-L137 HydrophobicContact CE2-CD2 4.23Å
103	D	87.9	Confident	89.3	Confident	55 Å²	55	54.6 Å²	54.6	29%	0.294	27%	0.271	S	S	.	.			trans	-90.5	174.4	173.4	66.1	-9.6	0	0	0	111.9	R105 F106	D103-R105 PolarHBondContact O-N 3.38Å; D103-R105 IonicContact OD1-NE 3.95Å; D103-R105 IonicContact OD2-CZ 2.82Å; D103-R105 IonicContact OD2-NE 3.45Å; D103-R105 PolarHBondContact OD2-NE 3.31Å; D103-R105 IonicContact OD2-NH2 3.24Å; D103-R105 PolarHBondContact OD2-NH2 2.97Å; D103-R105 VanDerWaalsContact OD2-NH2 3.07Å; D103-F106 PolarHBondContact O-N 3.48Å
104	D	88.5	Confident	89.7	Confident	36 Å²	36	55.8 Å²	55.8	19%	0.193	28%	0.278	C	S	.	.	H	α-helix	trans	-50.8	-23.1	177.3	174.1	76.7	0	0	0	114.6	F106 K108 V133	D104-F106 VanDerWaalsContact C-N 3.32Å; D104-F106 PolarHBondContact O-N 3.12Å; D104-K108 IonicContact OD2-NZ 3.16Å; D104-K108 PolarHBondContact OD2-NZ 2.83Å; D104-V133 HydrophobicContact CB-CB 4.28Å; D104-V133 HydrophobicContact CB-CG2 4.3Å
105	R	89.2	Confident	90.3	Very high	174 Å²	174	56.5 Å²	56.5	66%	0.657	28%	0.282	S	S	*	.	H	α-helix	trans	-69.5	-33.1	-180	-66	-175.9	-67.1	175.3	4.6	112.1	D103	D103-R105 PolarHBondContact O-N 3.38Å; D103-R105 IonicContact OD1-NE 3.95Å; D103-R105 IonicContact OD2-CZ 2.82Å; D103-R105 IonicContact OD2-NE 3.45Å; D103-R105 PolarHBondContact OD2-NE 3.31Å; D103-R105 IonicContact OD2-NH2 3.24Å; D103-R105 PolarHBondContact OD2-NH2 2.97Å; D103-R105 VanDerWaalsContact OD2-NH2 3.07Å
106	F	89.9	Confident	90.9	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.022	26%	0.264	C	S	.	.	H	α-helix	trans	-74.6	-33.7	-178.6	-173.4	-110.6	0	0	0	112.5	L36 M40 F102 D103 D104 K108 L109 I110 L135	L36-F106 HydrophobicContact CD1-CD2 4.04Å; L36-F106 HydrophobicContact CD1-CE2 3.16Å; L36-F106 HydrophobicContact CD1-CZ 3.54Å; L36-F106 HydrophobicContact CD2-CD2 4.08Å; L36-F106 HydrophobicContact CD2-CE2 3.98Å; L36-F106 HydrophobicContact CG-CE2 4.05Å; M40-F106 HydrophobicContact SD-CE2 4.12Å; M40-F106 HydrophobicContact SD-CZ 4.49Å; F102-F106 HydrophobicContact CB-CB 3.57Å; F102-F106 HydrophobicContact CB-CD1 3.81Å; F102-F106 HydrophobicContact CB-CG 3.89Å; F102-F106 HydrophobicContact CD1-CB 4.15Å; F102-F106 HydrophobicContact CD1-CD1 4.09Å; F102-F106 HydrophobicContact CD1-CD2 4.27Å; F102-F106 AromaticContact CD1-CG 3.88Å; F102-F106 HydrophobicContact CD1-CG 3.88Å; F102-F106 AromaticContact CD2-CD1 3.58Å; F102-F106 HydrophobicContact CD2-CD1 3.58Å; F102-F106 AromaticContact CD2-CE1 3.83Å; F102-F106 HydrophobicContact CD2-CE1 3.83Å; F102-F106 HydrophobicContact CD2-CG 4.22Å; F102-F106 HydrophobicContact CE1-CD2 4.47Å; F102-F106 HydrophobicContact CE1-CG 4.43Å; F102-F106 HydrophobicContact CE2-CD1 4.07Å; F102-F106 AromaticContact CE2-CE1 3.86Å; F102-F106 HydrophobicContact CE2-CE1 3.86Å; F102-F106 HydrophobicContact CE2-CZ 4.39Å; F102-F106 HydrophobicContact CG-CB 3.97Å; F102-F106 AromaticContact CG-CD1 3.56Å; F102-F106 HydrophobicContact CG-CD1 3.56Å; F102-F106 HydrophobicContact CG-CE1 4.2Å; F102-F106 AromaticContact CG-CG 3.74Å; F102-F106 HydrophobicContact CG-CG 3.74Å; F102-F106 HydrophobicContact CZ-CE1 4.3Å; F102-F106 HydrophobicContact CZ-CZ 4.42Å; D103-F106 PolarHBondContact O-N 3.48Å; D104-F106 VanDerWaalsContact C-N 3.32Å; D104-F106 PolarHBondContact O-N 3.12Å; F106-K108 PolarHBondContact O-N 3.45Å; F106-L109 HydrophobicContact CD2-CD1 4.21Å; F106-L109 WeakPolarHBondContact O-CB 3.38Å; F106-L109 PolarHBondContact O-N 3.36Å; F106-I110 HydrophobicContact CE1-CD1 4.39Å; F106-I110 HydrophobicContact CE1-CG2 3.79Å; F106-I110 HydrophobicContact CE2-CG2 4.1Å; F106-I110 HydrophobicContact CZ-CG2 3.55Å; F106-L135 HydrophobicContact CD1-CD1 3.83Å; F106-L135 HydrophobicContact CD1-CD2 3.67Å; F106-L135 HydrophobicContact CD1-CG 4.4Å; F106-L135 HydrophobicContact CE1-CD2 4.01Å
107	E	88.8	Confident	91.5	Very high	31 Å²	31	51.9 Å²	51.9	15%	0.145	26%	0.258	C	S	.	.	H	α-helix	trans	-53.8	-44.4	176.6	-174.5	-83.9	160	0	0	111.4	L109 I110 L135 L145 Y147	E107-L109 PolarHBondContact O-N 3.45Å; E107-L109 VanDerWaalsContact O-N 3.12Å; E107-I110 VanDerWaalsContact O-CG1 3.3Å; E107-I110 WeakPolarHBondContact O-CG1 3.22Å; E107-I110 PolarHBondContact O-N 2.99Å; E107-L135 HydrophobicContact CB-CD1 3.72Å; E107-L135 HydrophobicContact CG-CD1 4.29Å; E107-L145 HydrophobicContact CG-CD1 4.05Å; E107-L145 HydrophobicContact CG-CD2 3.98Å; E107-Y147 WeakPolarHBondContact CG-OH 3.41Å; E107-Y147 PolarHBondContact OE1-OH 3.05Å
108	K	89.6	Confident	92	Very high	112 Å²	112	52.3 Å²	52.3	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.2	178.7	-66.1	171.7	-169.6	146.7	0	113.7	R45 D104 F106	R45-K108 PolarHBondContact NE-O 3.12Å; R45-K108 PolarHBondContact NH1-O 3.06Å; R45-K108 PolarHBondContact NH2-O 3.01Å; D104-K108 IonicContact OD2-NZ 3.16Å; D104-K108 PolarHBondContact OD2-NZ 2.83Å; F106-K108 PolarHBondContact O-N 3.45Å
109	L	91.5	Very high	92.2	Very high	74 Å²	74	46.2 Å²	46.2	39%	0.387	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-25.6	-178	-62.9	178	0	0	0	112.6	M40 R45 F106 E107	M40-L109 HydrophobicContact CE-CB 3.88Å; R45-L109 WeakPolarHBondContact CG-O 3.35Å; R45-L109 PolarHBondContact NE-O 2.98Å; F106-L109 HydrophobicContact CD2-CD1 4.21Å; F106-L109 WeakPolarHBondContact O-CB 3.38Å; F106-L109 PolarHBondContact O-N 3.36Å; E107-L109 PolarHBondContact O-N 3.45Å; E107-L109 VanDerWaalsContact O-N 3.12Å
110	I	93.4	Very high	92.4	Very high	7 Å²	7	45 Å²	45	4%	0.036	23%	0.234	C	C	.	.	S	Bend	trans	-99.3	169.1	-175.9	61.3	166.2	0	0	0	112.3	M40 Y43 W83 L88 F106 E107 L135 I143	M40-I110 HydrophobicContact SD-CG2 4.46Å; Y43-I110 HydrophobicContact CE1-CB 4.11Å; Y43-I110 HydrophobicContact CE1-CG2 4.23Å; W83-I110 HydrophobicContact CZ2-CD1 4.24Å; L88-I110 HydrophobicContact CD1-CB 4.41Å; L88-I110 HydrophobicContact CD1-CG2 4.04Å; L88-I110 HydrophobicContact CD2-CG2 4.28Å; F106-I110 HydrophobicContact CE1-CD1 4.39Å; F106-I110 HydrophobicContact CE1-CG2 3.79Å; F106-I110 HydrophobicContact CE2-CG2 4.1Å; F106-I110 HydrophobicContact CZ-CG2 3.55Å; E107-I110 VanDerWaalsContact O-CG1 3.3Å; E107-I110 WeakPolarHBondContact O-CG1 3.22Å; E107-I110 PolarHBondContact O-N 2.99Å; I110-L135 HydrophobicContact CD1-CD1 3.92Å; I110-I143 HydrophobicContact CD1-CD1 3.69Å; I110-I143 HydrophobicContact CD1-CG2 4.39Å
111	W	94.4	Very high	92.5	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.019	25%	0.252	C	S	.	.			trans	-73.4	137.1	167.8	176.9	80.4	0	0	0	110.1	Y43 L47 P48 V52 W83 P113 Y178 V183	Y43-W111 WeakPolarHBondContact OH-CB 3.44Å; Y43-W111 PolarHBondContact OH-N 3.3Å; L47-W111 HydrophobicContact CD1-CH2 3.89Å; L47-W111 HydrophobicContact CD1-CZ2 3.19Å; P48-W111 HydrophobicContact CG-CD2 4.36Å; P48-W111 HydrophobicContact CG-CE3 3.88Å; P48-W111 HydrophobicContact CG-CZ3 4.1Å; V52-W111 HydrophobicContact CB-CH2 3.98Å; V52-W111 HydrophobicContact CB-CZ3 4.36Å; V52-W111 HydrophobicContact CG1-CH2 4.02Å; V52-W111 HydrophobicContact CG1-CZ3 3.93Å; V52-W111 HydrophobicContact CG2-CH2 3.87Å; V52-W111 HydrophobicContact CG2-CZ3 4.21Å; W83-W111 AromaticContact CD1-CZ3 3.78Å; W83-W111 HydrophobicContact CG-CZ3 4.35Å; W83-W111 WeakPolarHBondContact CZ2-O 3.47Å; W83-W111 AromaticContact NE1-CE3 3.83Å; W83-W111 AromaticContact NE1-CZ3 3.84Å; W111-P113 HydrophobicContact CH2-CB 3.83Å; W111-P113 HydrophobicContact CZ2-CB 4.42Å; W111-P113 HydrophobicContact CZ3-CB 4.31Å; W111-Y178 HydrophobicContact CZ2-CD2 4.21Å; W111-Y178 AromaticContact CZ2-CE2 3.84Å; W111-Y178 HydrophobicContact CZ2-CE2 3.84Å; W111-Y178 AromaticContact NE1-CE2 3.71Å; W111-Y178 AromaticContact NE1-CZ 3.37Å; W111-Y178 PolarHBondContact NE1-OH 3.14Å; W111-V183 HydrophobicContact CH2-CG2 4.04Å; W111-V183 HydrophobicContact CZ2-CG2 3.99Å
112	S	93.2	Very high	92.7	Very high	17 Å²	17	47 Å²	47	12%	0.119	24%	0.235	C	C	.	.			trans	-124.5	142.5	178.2	178.9	0	0	0	0	109.6	N114	S112-N114 PolarHBondContact O-N 3.16Å; S112-N114 VanDerWaalsContact O-N 3.14Å
113	P	94.1	Very high	92.9	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	25%	0.247	C	C	.	.			trans	-70	-4.4	179.3	29.4	-36.3	0	0	0	114.1	V54 W83 W111 V115 S175 V183	V54-P113 HydrophobicContact CG1-CB 4.29Å; V54-P113 HydrophobicContact CG1-CG 4.03Å; V54-P113 HydrophobicContact CG2-CB 3.56Å; V54-P113 HydrophobicContact CG2-CG 4.01Å; W83-P113 HydrophobicContact CD2-CG 4.27Å; W83-P113 HydrophobicContact CE3-CG 3.96Å; W83-P113 HydrophobicContact CZ3-CG 4.15Å; W111-P113 HydrophobicContact CH2-CB 3.83Å; W111-P113 HydrophobicContact CZ2-CB 4.42Å; W111-P113 HydrophobicContact CZ3-CB 4.31Å; P113-V115 VanDerWaalsContact C-N 3.26Å; P113-V115 HydrophobicContact CB-CG2 4.16Å; P113-V115 HydrophobicContact CG-CG2 4.26Å; P113-V115 PolarHBondContact O-N 3.12Å; P113-S175 PolarHBondContact O-OG 3.45Å; P113-V183 HydrophobicContact CB-CG1 4.43Å
114	N	93.2	Very high	93.2	Very high	67 Å²	67	50.6 Å²	50.6	36%	0.358	26%	0.26	S	S	.	.			trans	53.4	37.9	178.3	-64.8	-18	0	0	0	113.9	S112 C116 Y176 S177	S112-N114 PolarHBondContact O-N 3.16Å; S112-N114 VanDerWaalsContact O-N 3.14Å; N114-C116 PolarHBondContact O-N 3.44Å; N114-Y176 PolarHBondContact O-N 3.09Å; N114-S177 PolarHBondContact ND2-OG 3.15Å
115	V	95.7	Very high	93.6	Very high	18 Å²	18	51.4 Å²	51.4	11%	0.109	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	121	174.5	-175.5	0	0	0	0	109.1	V54 V56 F79 P113 F173 E174 V185	V54-V115 HydrophobicContact CG1-CG2 4.22Å; V56-V115 HydrophobicContact CG2-CG1 4.33Å; F79-V115 HydrophobicContact CE1-CB 4.44Å; F79-V115 HydrophobicContact CE2-CG1 4.2Å; F79-V115 HydrophobicContact CZ-CB 3.83Å; F79-V115 HydrophobicContact CZ-CG1 3.59Å; P113-V115 VanDerWaalsContact C-N 3.26Å; P113-V115 HydrophobicContact CB-CG2 4.16Å; P113-V115 HydrophobicContact CG-CG2 4.26Å; P113-V115 PolarHBondContact O-N 3.12Å; V115-F173 HydrophobicContact CG1-CB 4.12Å; V115-E174 CarbonylContact C-O 3.49Å; V115-E174 WeakPolarHBondContact CA-O 3.46Å; V115-V185 HydrophobicContact CG1-CG1 4.45Å; V115-V185 HydrophobicContact CG2-CG1 4.27Å; V115-V185 HydrophobicContact CG2-CG2 4.21Å
116	C	94.8	Very high	93.9	Very high	43 Å²	43	44.7 Å²	44.7	29%	0.291	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	166.2	-177.8	70.6	0	0	0	0	111.5	N114 V118 F173 E174	N114-C116 PolarHBondContact O-N 3.44Å; C116-V118 PolarHBondContact O-N 3.35Å; C116-F173 VanDerWaalsContact O-CA 3.3Å; C116-F173 WeakPolarHBondContact O-CA 3.44Å; C116-E174 PolarHBondContact N-O 3.31Å; C116-E174 PolarHBondContact O-N 3.04Å
117	I	96.3	Very high	94.1	Very high	17 Å²	17	53.9 Å²	53.9	9%	0.087	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	104	172.4	-55.5	175.2	0	0	0	107.8	I77 N119 T120 I149 V151 L171 V172 F173	I77-I117 HydrophobicContact CD1-CD1 3.99Å; I117-N119 WeakPolarHBondContact CG2-OD1 3.38Å; I117-T120 VanDerWaalsContact O-CG2 3.31Å; I117-T120 WeakPolarHBondContact O-CG2 3.39Å; I117-I149 HydrophobicContact CD1-CD1 3.63Å; I117-V151 HydrophobicContact CD1-CB 4.05Å; I117-V151 HydrophobicContact CD1-CG1 4.43Å; I117-V151 HydrophobicContact CD1-CG2 3.75Å; I117-V151 HydrophobicContact CG2-CG2 4.3Å; I117-L171 HydrophobicContact CG2-CD2 4.23Å; I117-V172 CarbonylContact C-O 3.53Å; I117-V172 VanDerWaalsContact CA-O 3.26Å; I117-V172 WeakPolarHBondContact CA-O 3.47Å; I117-F173 HydrophobicContact CD1-CE1 3.83Å; I117-F173 HydrophobicContact CD1-CZ 4.3Å; I117-F173 HydrophobicContact CG1-CD1 3.74Å; I117-F173 HydrophobicContact CG1-CE1 3.44Å; I117-F173 VanDerWaalsContact CG1-CE1 3.44Å; I117-F173 HydrophobicContact CG1-CZ 4.18Å
118	V	95	Very high	94.2	Very high	56 Å²	56	56 Å²	56	34%	0.339	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-33.9	-174.1	-76.1	0	0	0	0	112.5	C116 T120 V172 E174	C116-V118 PolarHBondContact O-N 3.35Å; V118-T120 VanDerWaalsContact C-N 3.31Å; V118-T120 PolarHBondContact O-N 3.29Å; V118-V172 HydrophobicContact CG2-CB 3.63Å; V118-V172 HydrophobicContact CG2-CG1 3.35Å; V118-V172 WeakPolarHBondContact CG2-O 3.38Å; V118-V172 PolarHBondContact N-O 3.13Å; V118-E174 HydrophobicContact CG1-CB 3.71Å; V118-E174 HydrophobicContact CG2-CB 4.33Å
119	N	94.5	Very high	94.2	Very high	37 Å²	37	57.2 Å²	57.2	20%	0.198	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	42	-178.4	74.1	-36.6	0	0	0	112.3	I117 S153 P154 Q170 V172	I117-N119 WeakPolarHBondContact CG2-OD1 3.38Å; N119-S153 PolarHBondContact ND2-OG 3.44Å; N119-S153 VanDerWaalsContact ND2-OG 3.15Å; N119-S153 WeakPolarHBondContact O-CB 3.4Å; N119-S153 PolarHBondContact O-OG 3.39Å; N119-P154 WeakPolarHBondContact O-CD 3.35Å; N119-Q170 PolarHBondContact ND2-O 3.48Å; N119-V172 HydrophobicContact CB-CB 4.29Å; N119-V172 HydrophobicContact CB-CG2 4.24Å; N119-V172 PolarHBondContact OD1-N 3.39Å
120	T	95.2	Very high	94.2	Very high	52 Å²	52	60.2 Å²	60.2	32%	0.319	32%	0.324	S	S	.	.			trans	-96.8	140.2	177.9	-168.9	0	0	0	0	112.1	I117 V118 S122 A123 Q152	I117-T120 VanDerWaalsContact O-CG2 3.31Å; I117-T120 WeakPolarHBondContact O-CG2 3.39Å; V118-T120 VanDerWaalsContact C-N 3.31Å; V118-T120 PolarHBondContact O-N 3.29Å; T120-S122 VanDerWaalsContact OG1-C 3.26Å; T120-S122 PolarHBondContact OG1-N 2.99Å; T120-S122 PolarHBondContact OG1-O 3.32Å; T120-A123 HydrophobicContact CG2-CB 4.42Å; T120-Q152 PolarHBondContact OG1-O 3.47Å
121	K	94.1	Very high	94.3	Very high	104 Å²	104	62.1 Å²	62.1	45%	0.452	34%	0.337	S	S	.	.	S	Bend	trans	-82.6	-42	164.2	-67.3	-169.7	-176.3	-178.9	0	110.7	S70 N71 Q152	S70-K121 PolarHBondContact O-NZ 3.26Å; N71-K121 PolarHBondContact O-NZ 3.07Å; N71-K121 VanDerWaalsContact O-NZ 3.1Å; K121-Q152 HydrophobicContact CB-CG 4.36Å; K121-Q152 PolarHBondContact N-O 3.05Å
122	S	95.1	Very high	94.3	Very high	36 Å²	36	63.7 Å²	63.7	25%	0.252	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	141.7	176.4	71	0	0	0	0	109.8	T120 Q152	T120-S122 VanDerWaalsContact OG1-C 3.26Å; T120-S122 PolarHBondContact OG1-N 2.99Å; T120-S122 PolarHBondContact OG1-O 3.32Å; S122-Q152 PolarHBondContact N-O 3.42Å; S122-Q152 PolarHBondContact O-N 2.95Å; S122-Q152 WeakPolarHBondContact OG-CB 3.35Å; S122-Q152 PolarHBondContact OG-OE1 3.19Å
123	A	95.9	Very high	94.3	Very high	51 Å²	51	63.8 Å²	63.8	42%	0.421	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.6	176.7	0	0	0	0	0	109.9	T120 R150	T120-A123 HydrophobicContact CG2-CB 4.42Å; A123-R150 CarbonylContact C-O 3.6Å; A123-R150 WeakPolarHBondContact CA-O 3.42Å
124	H	95.6	Very high	94.3	Very high	120 Å²	120	67.1 Å²	67.1	56%	0.556	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.7	-178	-61.5	-61.1	0	0	0	110.9	I149 R150	H124-I149 CarbonylContact O-C 3.49Å; H124-I149 WeakPolarHBondContact O-CA 3.47Å; H124-R150 PolarHBondContact N-O 2.93Å; H124-R150 PolarHBondContact O-N 3.45Å
125	V	95.7	Very high	94.4	Very high	53 Å²	53	63.9 Å²	63.9	32%	0.321	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.8	170.9	-176.7	0	0	0	0	109	P131 V133 Y147 I149	V125-P131 HydrophobicContact CG1-CB 4.46Å; V125-V133 HydrophobicContact CG1-CG2 4.1Å; V125-Y147 HydrophobicContact CG2-CD1 4.33Å; V125-I149 HydrophobicContact CB-CG2 4.36Å; V125-I149 HydrophobicContact CG2-CG2 3.78Å
126	H	95.2	Very high	94.4	Very high	32 Å²	32	64.5 Å²	64.5	15%	0.148	35%	0.347	C	S	.	.			trans	-61.4	146.5	176.5	-79.1	-99.8	0	0	0	111.3	D76 N132 R148	D76-H126 IonicContact OD1-CE1 2.69Å; D76-H126 PolarHBondContact OD1-CE1 3.39Å; D76-H126 IonicContact OD1-NE2 2.8Å; D76-H126 PolarHBondContact OD1-NE2 2.98Å; D76-H126 IonicContact OD2-CE1 3.81Å; D76-H126 PolarHBondContact OD2-CE1 3.19Å; D76-H126 VanDerWaalsContact OD2-CE1 3.24Å; D76-H126 IonicContact OD2-NE2 3.62Å; D76-H126 PolarHBondContact OD2-NE2 3.32Å; H126-N132 HydrophobicContact CB-CB 4.24Å; H126-N132 WeakPolarHBondContact CB-ND2 3.43Å; H126-N132 WeakPolarHBondContact O-CB 3.32Å; H126-N132 PolarHBondContact O-N 2.96Å; H126-R148 HydrophobicContact CB-CB 4.42Å; H126-R148 HydrophobicContact CB-CG 3.99Å; H126-R148 PolarHBondContact CD2-O 3.09Å; H126-R148 PolarHBondContact N-O 2.66Å
127	R	94.1	Very high	94.4	Very high	199 Å²	199	62.5 Å²	62.5	75%	0.751	33%	0.333	S	S	*	.	B	Isolated β-bridge	trans	-135.4	115.9	-178.7	-58.4	-177.4	-177.3	-168.6	-0.5	111.3	K130 P131	R127-K130 CarbonylContact C-O 3.57Å; R127-K130 VanDerWaalsContact CA-O 3.31Å; R127-K130 WeakPolarHBondContact CA-O 3.27Å; R127-P131 HydrophobicContact CG-CG 4.47Å
128	S	91.3	Very high	94.3	Very high	75 Å²	75	63.8 Å²	63.8	52%	0.524	34%	0.34	S	S	.	.	S	Bend	trans	-164.5	99.1	177.3	56.9	0	0	0	0	112.4	K130 N132	S128-K130 PolarHBondContact N-O 3.18Å; S128-N132 PolarHBondContact OG-ND2 3.45Å
129	P	90.4	Very high	94.2	Very high	138 Å²	138	62.9 Å²	62.9	90%	0.896	34%	0.336	S	S	*	.	S	Bend	cis	-78	-13.8	-17.5	32.5	-35	0	0	0	113.5
130	K	92.1	Very high	94.2	Very high	137 Å²	137	64.6 Å²	64.6	60%	0.596	35%	0.345	S	S	*	.	S	Bend	trans	-108.1	168.1	175.8	-70	-177.5	-179.7	178.6	0	110.2	R127 S128 N132	R127-K130 CarbonylContact C-O 3.57Å; R127-K130 VanDerWaalsContact CA-O 3.31Å; R127-K130 WeakPolarHBondContact CA-O 3.27Å; S128-K130 PolarHBondContact N-O 3.18Å; K130-N132 PolarHBondContact O-N 2.91Å; K130-N132 PolarHBondContact O-OD1 3.04Å
131	P	94.1	Very high	94.1	Very high	47 Å²	47	62.1 Å²	62.1	31%	0.305	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-54	131.7	170.5	-24.6	35.1	0	0	0	111.8	V125 R127 V133	V125-P131 HydrophobicContact CG1-CB 4.46Å; R127-P131 HydrophobicContact CG-CG 4.47Å; P131-V133 VanDerWaalsContact C-N 3.25Å; P131-V133 HydrophobicContact CB-CG2 4.15Å; P131-V133 PolarHBondContact O-N 3.05Å
132	N	93.9	Very high	94.2	Very high	38 Å²	38	58.3 Å²	58.3	20%	0.203	32%	0.315	C	S	.	.			trans	-82.2	75	-177.8	-67.1	-8.5	0	0	0	109.5	H126 S128 K130 R148	H126-N132 HydrophobicContact CB-CB 4.24Å; H126-N132 WeakPolarHBondContact CB-ND2 3.43Å; H126-N132 WeakPolarHBondContact O-CB 3.32Å; H126-N132 PolarHBondContact O-N 2.96Å; S128-N132 PolarHBondContact OG-ND2 3.45Å; K130-N132 PolarHBondContact O-N 2.91Å; K130-N132 PolarHBondContact O-OD1 3.04Å; N132-R148 HydrophobicContact CB-CB 3.95Å; N132-R148 PolarHBondContact O-N 3.49Å; N132-R148 VanDerWaalsContact O-N 3.14Å
133	V	94.9	Very high	94.2	Very high	18 Å²	18	56.6 Å²	56.6	11%	0.109	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.5	177.1	-172.6	0	0	0	0	107.9	D104 V125 P131 L145 N146 Y147	D104-V133 HydrophobicContact CB-CB 4.28Å; D104-V133 HydrophobicContact CB-CG2 4.3Å; V125-V133 HydrophobicContact CG1-CG2 4.1Å; P131-V133 VanDerWaalsContact C-N 3.25Å; P131-V133 HydrophobicContact CB-CG2 4.15Å; P131-V133 PolarHBondContact O-N 3.05Å; V133-L145 HydrophobicContact CG1-CD1 3.75Å; V133-N146 WeakPolarHBondContact CA-O 3.48Å; V133-Y147 HydrophobicContact CB-CD1 4.25Å; V133-Y147 HydrophobicContact CB-CE1 4.22Å; V133-Y147 HydrophobicContact CG1-CD1 3.85Å; V133-Y147 HydrophobicContact CG1-CE1 3.54Å; V133-Y147 HydrophobicContact CG2-CD1 3.58Å; V133-Y147 HydrophobicContact CG2-CE1 3.62Å
134	L	93.6	Very high	94.2	Very high	71 Å²	71	58.1 Å²	58.1	37%	0.372	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122	173	171.3	68.8	0	0	0	108.1	L145 N146	L134-L145 WeakPolarHBondContact O-CA 3.47Å; L134-N146 HydrophobicContact CB-CB 4.23Å; L134-N146 PolarHBondContact N-O 3.43Å; L134-N146 PolarHBondContact O-N 3.41Å
135	L	95.1	Very high	94.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.4	171.4	-170.4	164.8	0	0	0	108.3	S101 F102 F106 E107 I110 I143 W144 L145	S101-L135 CarbonylContact C-O 3.59Å; S101-L135 WeakPolarHBondContact CA-O 3.36Å; F102-L135 HydrophobicContact CB-CB 4.43Å; F102-L135 HydrophobicContact CB-CD2 4.26Å; F102-L135 HydrophobicContact CD2-CD2 3.79Å; F102-L135 HydrophobicContact CG-CD2 4.46Å; F102-L135 PolarHBondContact N-O 3.39Å; F106-L135 HydrophobicContact CD1-CD1 3.83Å; F106-L135 HydrophobicContact CD1-CD2 3.67Å; F106-L135 HydrophobicContact CD1-CG 4.4Å; F106-L135 HydrophobicContact CE1-CD2 4.01Å; E107-L135 HydrophobicContact CB-CD1 3.72Å; E107-L135 HydrophobicContact CG-CD1 4.29Å; I110-L135 HydrophobicContact CD1-CD1 3.92Å; L135-I143 HydrophobicContact CD2-CG2 4.28Å; L135-I143 HydrophobicContact CG-CG2 4.31Å; L135-W144 CarbonylContact C-O 3.59Å; L135-W144 WeakPolarHBondContact CA-O 3.36Å; L135-L145 HydrophobicContact CB-CD1 4.06Å; L135-L145 HydrophobicContact CD1-CD1 4.26Å; L135-L145 HydrophobicContact CG-CD1 4.22Å
136	M	95.3	Very high	94.3	Very high	30 Å²	30	51 Å²	51	15%	0.148	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.6	177.2	-165.9	176.5	88.3	0	0	110.5	N99 L100 L138 I143 W144	N99-M136 HydrophobicContact CB-CE 3.97Å; N99-M136 HydrophobicContact CB-CG 3.77Å; N99-M136 HydrophobicContact CB-SD 3.68Å; N99-M136 WeakPolarHBondContact ND2-CE 3.25Å; L100-M136 CarbonylContact O-C 3.55Å; L100-M136 VanDerWaalsContact O-CA 3.32Å; L100-M136 WeakPolarHBondContact O-CA 3.5Å; M136-L138 HydrophobicContact CE-CD1 3.42Å; M136-L138 VanDerWaalsContact CE-CD1 3.42Å; M136-L138 HydrophobicContact CE-CG 4.13Å; M136-I143 WeakPolarHBondContact O-CA 3.4Å; M136-W144 HydrophobicContact CB-CB 4.37Å; M136-W144 HydrophobicContact CB-CE3 4.44Å; M136-W144 HydrophobicContact CE-CE3 3.78Å; M136-W144 HydrophobicContact CE-CZ3 4.29Å; M136-W144 PolarHBondContact N-O 2.94Å; M136-W144 PolarHBondContact O-N 3.34Å; M136-W144 HydrophobicContact SD-CE3 4.22Å
137	L	95.1	Very high	94.3	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117	175.8	-176.3	70.1	0	0	0	109.9	L88 Y90 N99 L100 F102 I143	L88-L137 HydrophobicContact CB-CD1 3.79Å; L88-L137 HydrophobicContact CB-CD2 4.38Å; L88-L137 HydrophobicContact CD1-CD1 4.34Å; Y90-L137 HydrophobicContact CD1-CD2 3.83Å; Y90-L137 HydrophobicContact CD1-CG 4.22Å; Y90-L137 HydrophobicContact CE1-CB 4.47Å; Y90-L137 HydrophobicContact CE1-CD2 3.8Å; Y90-L137 HydrophobicContact CE1-CG 3.8Å; Y90-L137 PolarHBondContact OH-O 2.93Å; N99-L137 WeakPolarHBondContact CA-O 3.42Å; L100-L137 HydrophobicContact CB-CB 4.43Å; L100-L137 PolarHBondContact N-O 3.25Å; L100-L137 PolarHBondContact O-N 3.49Å; F102-L137 HydrophobicContact CD2-CB 4.44Å; F102-L137 HydrophobicContact CE2-CB 3.85Å; F102-L137 HydrophobicContact CE2-CD2 4.23Å; L137-I143 HydrophobicContact CD1-CD1 4.45Å; L137-I143 HydrophobicContact CD1-CG1 3.57Å
138	L	94.8	Very high	94.4	Very high	44 Å²	44	45.3 Å²	45.3	23%	0.23	24%	0.24	C	C	.	.			trans	-80.9	155.7	177.4	-75.7	69.8	0	0	0	110.7	Y90 M136 N140 G141 T142	Y90-L138 WeakPolarHBondContact CE1-O 3.24Å; M136-L138 HydrophobicContact CE-CD1 3.42Å; M136-L138 VanDerWaalsContact CE-CD1 3.42Å; M136-L138 HydrophobicContact CE-CG 4.13Å; L138-N140 VanDerWaalsContact CB-OD1 3.24Å; L138-N140 WeakPolarHBondContact CB-OD1 3.31Å; L138-N140 PolarHBondContact O-N 2.87Å; L138-N140 VanDerWaalsContact O-N 3.09Å; L138-G141 PolarHBondContact O-N 2.97Å; L138-T142 HydrophobicContact CD1-CG2 4.47Å; L138-T142 HydrophobicContact CD2-CG2 4.37Å; L138-T142 PolarHBondContact N-O 3.19Å
139	P	92.7	Very high	94.6	Very high	37 Å²	37	42.6 Å²	42.6	24%	0.24	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.3	-177.2	-27.6	35.5	0	0	0	115.3	Y90 S91 R97 N99 G141	Y90-P139 HydrophobicContact CE2-CB 4.01Å; Y90-P139 HydrophobicContact CE2-CG 4.07Å; Y90-P139 VanDerWaalsContact CZ-CA 3.44Å; Y90-P139 PolarHBondContact N-O 2.89Å; Y90-P139 VanDerWaalsContact N-O 3.09Å; Y90-P139 WeakPolarHBondContact OH-CD 3.43Å; S91-P139 PolarHBondContact N-O 3.28Å; R97-P139 WeakPolarHBondContact O-CG 3.27Å; N99-P139 WeakPolarHBondContact OD1-CD 3.18Å; P139-G141 VanDerWaalsContact C-N 3.32Å
140	N	93.2	Very high	94.9	Very high	73 Å²	73	40.7 Å²	40.7	39%	0.39	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.6	178.3	69.1	-21.5	0	0	0	113.9	Y84 A89 L138 T142	Y84-N140 WeakPolarHBondContact CE2-O 3.48Å; A89-N140 VanDerWaalsContact CB-O 3.29Å; A89-N140 WeakPolarHBondContact CB-O 3.37Å; L138-N140 VanDerWaalsContact CB-OD1 3.24Å; L138-N140 WeakPolarHBondContact CB-OD1 3.31Å; L138-N140 PolarHBondContact O-N 2.87Å; L138-N140 VanDerWaalsContact O-N 3.09Å; N140-T142 PolarHBondContact ND2-OG1 3.04Å; N140-T142 WeakPolarHBondContact OD1-CB 3.29Å; N140-T142 PolarHBondContact OD1-N 3.17Å; N140-T142 PolarHBondContact OD1-OG1 3.33Å
141	G	93.3	Very high	95.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	95.4	6.7	-173.6	0	0	0	0	0	114.5	D85 L138 P139	D85-G141 PolarHBondContact N-O 3.02Å; D85-G141 WeakPolarHBondContact O-CA 3.17Å; D85-G141 VanDerWaalsContact O-O 3.13Å; L138-G141 PolarHBondContact O-N 2.97Å; P139-G141 VanDerWaalsContact C-N 3.32Å
142	T	95.8	Very high	95.2	Very high	24 Å²	24	34.5 Å²	34.5	15%	0.147	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.6	167.5	-62.7	0	0	0	0	109.9	I82 W83 L138 N140	I82-T142 HydrophobicContact CG2-CG2 3.56Å; W83-T142 CarbonylContact O-C 3.58Å; W83-T142 WeakPolarHBondContact O-CA 3.18Å; L138-T142 HydrophobicContact CD1-CG2 4.47Å; L138-T142 HydrophobicContact CD2-CG2 4.37Å; L138-T142 PolarHBondContact N-O 3.19Å; N140-T142 PolarHBondContact ND2-OG1 3.04Å; N140-T142 WeakPolarHBondContact OD1-CB 3.29Å; N140-T142 PolarHBondContact OD1-N 3.17Å; N140-T142 PolarHBondContact OD1-OG1 3.33Å
143	I	96.1	Very high	95.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.2	174.7	-62.7	161.4	0	0	0	108.3	I82 W83 D85 L88 I110 L135 M136 L137	I82-I143 VanDerWaalsContact CA-O 3.26Å; I82-I143 WeakPolarHBondContact CA-O 3.39Å; W83-I143 HydrophobicContact CD2-CB 4.16Å; W83-I143 HydrophobicContact CE3-CB 4.49Å; W83-I143 HydrophobicContact CE3-CG2 4.48Å; W83-I143 HydrophobicContact CH2-CB 4.27Å; W83-I143 HydrophobicContact CH2-CG2 3.59Å; W83-I143 HydrophobicContact CZ2-CB 3.92Å; W83-I143 HydrophobicContact CZ2-CD1 3.69Å; W83-I143 HydrophobicContact CZ2-CG1 4.44Å; W83-I143 HydrophobicContact CZ2-CG2 3.61Å; W83-I143 HydrophobicContact CZ3-CG2 4.04Å; W83-I143 PolarHBondContact N-O 2.9Å; W83-I143 VanDerWaalsContact N-O 3.08Å; W83-I143 PolarHBondContact O-N 3.39Å; D85-I143 HydrophobicContact CB-CD1 4.35Å; L88-I143 HydrophobicContact CD1-CD1 3.34Å; L88-I143 HydrophobicContact CD1-CG1 4.16Å; I110-I143 HydrophobicContact CD1-CD1 3.69Å; I110-I143 HydrophobicContact CD1-CG2 4.39Å; L135-I143 HydrophobicContact CD2-CG2 4.28Å; L135-I143 HydrophobicContact CG-CG2 4.31Å; M136-I143 WeakPolarHBondContact O-CA 3.4Å; L137-I143 HydrophobicContact CD1-CD1 4.45Å; L137-I143 HydrophobicContact CD1-CG1 3.57Å
144	W	96.4	Very high	95.4	Very high	84 Å²	84	34.6 Å²	34.6	32%	0.318	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	114.7	167.6	177.5	23.5	0	0	0	108.9	S80 I82 L135 M136	S80-W144 PolarHBondContact OG-NE1 3.07Å; I82-W144 HydrophobicContact CD1-CG 4.34Å; I82-W144 HydrophobicContact CG1-CB 4.18Å; I82-W144 HydrophobicContact CG1-CG 4Å; L135-W144 CarbonylContact C-O 3.59Å; L135-W144 WeakPolarHBondContact CA-O 3.36Å; M136-W144 HydrophobicContact CB-CB 4.37Å; M136-W144 HydrophobicContact CB-CE3 4.44Å; M136-W144 HydrophobicContact CE-CE3 3.78Å; M136-W144 HydrophobicContact CE-CZ3 4.29Å; M136-W144 PolarHBondContact N-O 2.94Å; M136-W144 PolarHBondContact O-N 3.34Å; M136-W144 HydrophobicContact SD-CE3 4.22Å
145	L	96.1	Very high	95.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.8	179.5	179.9	61	0	0	0	109.3	S80 S81 W83 E107 V133 L134 L135 Y147	S80-L145 CarbonylContact C-O 3.58Å; S80-L145 WeakPolarHBondContact CA-O 3.49Å; S81-L145 PolarHBondContact N-O 3.23Å; S81-L145 PolarHBondContact O-N 2.89Å; S81-L145 PolarHBondContact OG-O 3.46Å; W83-L145 HydrophobicContact CH2-CB 3.84Å; W83-L145 HydrophobicContact CH2-CD2 3.74Å; W83-L145 HydrophobicContact CH2-CG 4.47Å; W83-L145 HydrophobicContact CZ3-CB 3.67Å; W83-L145 HydrophobicContact CZ3-CD2 4.07Å; E107-L145 HydrophobicContact CG-CD1 4.05Å; E107-L145 HydrophobicContact CG-CD2 3.98Å; V133-L145 HydrophobicContact CG1-CD1 3.75Å; L134-L145 WeakPolarHBondContact O-CA 3.47Å; L135-L145 HydrophobicContact CB-CD1 4.06Å; L135-L145 HydrophobicContact CD1-CD1 4.26Å; L135-L145 HydrophobicContact CG-CD1 4.22Å; L145-Y147 HydrophobicContact CD1-CE2 3.9Å; L145-Y147 HydrophobicContact CD2-CD2 4.49Å; L145-Y147 HydrophobicContact CD2-CE2 3.45Å; L145-Y147 VanDerWaalsContact CD2-CE2 3.45Å; L145-Y147 HydrophobicContact CG-CD2 4.09Å; L145-Y147 HydrophobicContact CG-CE2 3.43Å; L145-Y147 VanDerWaalsContact CG-CE2 3.43Å
146	N	95.8	Very high	95.3	Very high	23 Å²	23	36.8 Å²	36.8	12%	0.123	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.4	-178.7	178.6	-85.4	0	0	0	110.5	F79 S80 V133 L134	F79-N146 CarbonylContact O-C 3.55Å; F79-N146 VanDerWaalsContact O-CA 3.29Å; F79-N146 WeakPolarHBondContact O-CA 3.36Å; S80-N146 PolarHBondContact OG-ND2 3.05Å; V133-N146 WeakPolarHBondContact CA-O 3.48Å; L134-N146 HydrophobicContact CB-CB 4.23Å; L134-N146 PolarHBondContact N-O 3.43Å; L134-N146 PolarHBondContact O-N 3.41Å
147	Y	95.6	Very high	95.1	Very high	41 Å²	41	36 Å²	36	16%	0.161	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.2	177	-68.4	-87.8	0	0	0	110.7	W78 F79 E107 V125 V133 L145	W78-Y147 CarbonylContact C-O 3.43Å; W78-Y147 VanDerWaalsContact CA-O 3.28Å; W78-Y147 WeakPolarHBondContact CA-O 3.23Å; F79-Y147 HydrophobicContact CD1-CD2 4.13Å; F79-Y147 PolarHBondContact N-O 3.21Å; F79-Y147 PolarHBondContact O-N 3.31Å; E107-Y147 WeakPolarHBondContact CG-OH 3.41Å; E107-Y147 PolarHBondContact OE1-OH 3.05Å; V125-Y147 HydrophobicContact CG2-CD1 4.33Å; V133-Y147 HydrophobicContact CB-CD1 4.25Å; V133-Y147 HydrophobicContact CB-CE1 4.22Å; V133-Y147 HydrophobicContact CG1-CD1 3.85Å; V133-Y147 HydrophobicContact CG1-CE1 3.54Å; V133-Y147 HydrophobicContact CG2-CD1 3.58Å; V133-Y147 HydrophobicContact CG2-CE1 3.62Å; L145-Y147 HydrophobicContact CD1-CE2 3.9Å; L145-Y147 HydrophobicContact CD2-CD2 4.49Å; L145-Y147 HydrophobicContact CD2-CE2 3.45Å; L145-Y147 VanDerWaalsContact CD2-CE2 3.45Å; L145-Y147 HydrophobicContact CG-CD2 4.09Å; L145-Y147 HydrophobicContact CG-CE2 3.43Å; L145-Y147 VanDerWaalsContact CG-CE2 3.43Å
148	R	96	Very high	95	Very high	70 Å²	70	40.4 Å²	40.4	26%	0.264	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	108.8	164.8	-178.1	174.9	-179.8	-155.8	-3.9	109.7	H126 N132	H126-R148 HydrophobicContact CB-CB 4.42Å; H126-R148 HydrophobicContact CB-CG 3.99Å; H126-R148 PolarHBondContact CD2-O 3.09Å; H126-R148 PolarHBondContact N-O 2.66Å; N132-R148 HydrophobicContact CB-CB 3.95Å; N132-R148 PolarHBondContact O-N 3.49Å; N132-R148 VanDerWaalsContact O-N 3.14Å
149	I	95.9	Very high	94.8	Very high	18 Å²	18	38.4 Å²	38.4	9%	0.092	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.4	-174.9	54.2	174.5	0	0	0	112	D76 I77 F79 I117 H124 V125	D76-I149 WeakPolarHBondContact CA-O 3.25Å; I77-I149 HydrophobicContact CD1-CD1 3.93Å; I77-I149 HydrophobicContact CD1-CG1 4.14Å; I77-I149 HydrophobicContact CG1-CD1 3.89Å; I77-I149 HydrophobicContact CG1-CG1 3.51Å; I77-I149 PolarHBondContact N-O 3.43Å; I77-I149 PolarHBondContact O-N 3.11Å; F79-I149 HydrophobicContact CB-CD1 4.12Å; I117-I149 HydrophobicContact CD1-CD1 3.63Å; H124-I149 CarbonylContact O-C 3.49Å; H124-I149 WeakPolarHBondContact O-CA 3.47Å; V125-I149 HydrophobicContact CB-CG2 4.36Å; V125-I149 HydrophobicContact CG2-CG2 3.78Å
150	R	96.7	Very high	94.8	Very high	98 Å²	98	38.2 Å²	38.2	37%	0.37	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.3	160.4	-177	167.7	-64.8	172.2	-4.7	108.2	M64 T74 D76 A123 H124	M64-R150 HydrophobicContact SD-CG 4.34Å; M64-R150 VanDerWaalsContact SD-CZ 3.5Å; M64-R150 PolarHBondContact SD-NE 2.82Å; T74-R150 HydrophobicContact CG2-CG 4Å; D76-R150 VanDerWaalsContact OD1-CA 3.27Å; D76-R150 WeakPolarHBondContact OD1-CA 3.46Å; D76-R150 WeakPolarHBondContact OD1-CB 3.47Å; D76-R150 WeakPolarHBondContact OD1-CG 3.48Å; D76-R150 IonicContact OD1-NE 2.89Å; D76-R150 PolarHBondContact OD1-NE 3.38Å; D76-R150 VanDerWaalsContact OD1-NE 3.16Å; D76-R150 IonicContact OD1-NH2 2.61Å; D76-R150 IonicContact OD2-NE 3.07Å; D76-R150 IonicContact OD2-NH2 3.32Å; D76-R150 PolarHBondContact OD2-NH2 2.93Å; A123-R150 CarbonylContact C-O 3.6Å; A123-R150 WeakPolarHBondContact CA-O 3.42Å; H124-R150 PolarHBondContact N-O 2.93Å; H124-R150 PolarHBondContact O-N 3.45Å
151	V	96.6	Very high	94.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.7	178	58.4	0	0	0	0	110	T74 A75 I77 I117 L171	T74-V151 CarbonylContact C-O 3.56Å; T74-V151 VanDerWaalsContact CA-O 3.32Å; T74-V151 WeakPolarHBondContact CA-O 3.29Å; A75-V151 HydrophobicContact CB-CG1 4.35Å; A75-V151 PolarHBondContact N-O 3.25Å; A75-V151 WeakPolarHBondContact O-CG1 3.1Å; A75-V151 PolarHBondContact O-N 3.42Å; I77-V151 HydrophobicContact CD1-CG1 3.94Å; I77-V151 HydrophobicContact CG1-CG1 4.12Å; I77-V151 HydrophobicContact CG2-CG1 4.46Å; I117-V151 HydrophobicContact CD1-CB 4.05Å; I117-V151 HydrophobicContact CD1-CG1 4.43Å; I117-V151 HydrophobicContact CD1-CG2 3.75Å; I117-V151 HydrophobicContact CG2-CG2 4.3Å; V151-L171 HydrophobicContact CG1-CD1 4.22Å; V151-L171 HydrophobicContact CG1-CD2 4.21Å; V151-L171 HydrophobicContact CG2-CD2 3.99Å
152	Q	96.6	Very high	94.7	Very high	53 Å²	53	39.6 Å²	39.6	25%	0.248	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.4	167.1	-173.3	-176.6	11	0	0	108.2	S72 F73 T120 K121 S122	S72-Q152 PolarHBondContact OG-NE2 3.37Å; F73-Q152 CarbonylContact O-C 3.58Å; F73-Q152 WeakPolarHBondContact O-CA 3.46Å; T120-Q152 PolarHBondContact OG1-O 3.47Å; K121-Q152 HydrophobicContact CB-CG 4.36Å; K121-Q152 PolarHBondContact N-O 3.05Å; S122-Q152 PolarHBondContact N-O 3.42Å; S122-Q152 PolarHBondContact O-N 2.95Å; S122-Q152 WeakPolarHBondContact OG-CB 3.35Å; S122-Q152 PolarHBondContact OG-OE1 3.19Å
153	S	96	Very high	94.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.7	-175.6	177.9	0	0	0	0	110.3	S72 F73 N119 Q170	S72-S153 VanDerWaalsContact CA-O 3.25Å; S72-S153 WeakPolarHBondContact CA-O 3.28Å; S72-S153 WeakPolarHBondContact CB-O 3.41Å; F73-S153 VanDerWaalsContact CE1-CB 3.43Å; F73-S153 PolarHBondContact N-O 3.11Å; F73-S153 PolarHBondContact O-N 3.19Å; N119-S153 PolarHBondContact ND2-OG 3.44Å; N119-S153 VanDerWaalsContact ND2-OG 3.15Å; N119-S153 WeakPolarHBondContact O-CB 3.4Å; N119-S153 PolarHBondContact O-OG 3.39Å; S153-Q170 PolarHBondContact OG-O 3.14Å
154	P	96.3	Very high	94.2	Very high	59 Å²	59	39.3 Å²	39.3	38%	0.383	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	140.3	175.8	27.7	-26.2	0	0	0	110.1	N71 N119	N71-P154 WeakPolarHBondContact O-CA 3.39Å; N119-P154 WeakPolarHBondContact O-CD 3.35Å
155	C	95.1	Very high	94	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.027	18%	0.181	C	C	.	.			trans	-133.1	119.2	174.3	-174.9	0	0	0	0	108.1	N71 F73 M157 Y168 C169	N71-C155 CarbonylContact C-O 3.59Å; N71-C155 WeakPolarHBondContact CB-O 3.31Å; N71-C155 PolarHBondContact O-N 3.37Å; N71-C155 VanDerWaalsContact O-N 3.1Å; F73-C155 HydrophobicContact CD1-CB 4.2Å; C155-M157 PolarHBondContact O-N 3.34Å; C155-Y168 PolarHBondContact SG-O 2.9Å; C155-C169 HydrophobicContact CB-CB 3.72Å; C155-C169 WeakPolarHBondContact CB-SG 3.39Å; C155-C169 WeakPolarHBondContact SG-CA 3.43Å; C155-C169 WeakPolarHBondContact SG-CB 3.47Å; C155-C169 CovalentContact SG-SG 2.04Å; C155-C169 PolarHBondContact SG-SG 2.93Å
156	S	91.9	Very high	93.9	Very high	113 Å²	113	37.4 Å²	37.4	79%	0.79	19%	0.193	S	C	*	.			trans	-80.4	102.1	177.9	-176.7	0	0	0	0	108.5
157	M	91.5	Very high	93.8	Very high	14 Å²	14	36.4 Å²	36.4	7%	0.069	19%	0.187	C	C	.	.			trans	-85.1	136.6	-175.5	-59.6	-166.5	-171.4	0	0	112.1	L66 S67 V68 C155	L66-M157 HydrophobicContact CB-CE 4.44Å; L66-M157 HydrophobicContact CD2-CE 3.93Å; L66-M157 HydrophobicContact CG-CE 3.77Å; S67-M157 VanDerWaalsContact O-CE 3.26Å; S67-M157 WeakPolarHBondContact O-CE 3.37Å; V68-M157 WeakPolarHBondContact CA-SD 3.47Å; V68-M157 HydrophobicContact CB-SD 3.85Å; V68-M157 HydrophobicContact CG1-SD 3.87Å; V68-M157 HydrophobicContact CG2-SD 3.68Å; C155-M157 PolarHBondContact O-N 3.34Å
158	D	92.2	Very high	93.8	Very high	92 Å²	92	39.9 Å²	39.9	49%	0.492	20%	0.201	S	C	.	.			trans	-105.5	110.3	172.4	-178.2	10.8	0	0	0	110.3	A160 Q167	D158-A160 VanDerWaalsContact OD1-CB 3.24Å; D158-A160 WeakPolarHBondContact OD1-CB 3Å; D158-A160 PolarHBondContact OD1-N 3.49Å; D158-Q167 PolarHBondContact O-NE2 3.03Å
159	L	92.3	Very high	93.7	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	19%	0.189	C	C	.	.			trans	-99.4	8.9	-177.7	-58.3	174	0	0	0	112.6	V68 R161 F162 P290 V292 Y294 K296	V68-L159 HydrophobicContact CG1-CD1 3.63Å; V68-L159 HydrophobicContact CG1-CD2 3.75Å; V68-L159 HydrophobicContact CG1-CG 4.17Å; L159-R161 PolarHBondContact O-N 3.35Å; L159-R161 VanDerWaalsContact O-N 3.12Å; L159-F162 HydrophobicContact CB-CB 4.32Å; L159-F162 HydrophobicContact CD2-CD2 4.47Å; L159-F162 VanDerWaalsContact O-CB 3.26Å; L159-F162 WeakPolarHBondContact O-CB 3.45Å; L159-F162 PolarHBondContact O-N 3.46Å; L159-P290 HydrophobicContact CD1-CG 3.83Å; L159-V292 HydrophobicContact CD1-CG1 4.2Å; L159-Y294 HydrophobicContact CB-CE2 4.26Å; L159-Y294 PolarHBondContact N-OH 2.78Å; L159-K296 HydrophobicContact CB-CD 4.28Å; L159-K296 WeakPolarHBondContact O-CG 3.31Å
160	A	92.2	Very high	93.8	Very high	32 Å²	32	39.4 Å²	39.4	26%	0.264	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.6	-176.9	0	0	0	0	0	112.3	D158 Y294 K296 A297	D158-A160 VanDerWaalsContact OD1-CB 3.24Å; D158-A160 WeakPolarHBondContact OD1-CB 3Å; D158-A160 PolarHBondContact OD1-N 3.49Å; A160-Y294 HydrophobicContact CB-CD2 4.37Å; A160-Y294 HydrophobicContact CB-CE2 4.26Å; A160-K296 CarbonylContact O-C 3.56Å; A160-A297 PolarHBondContact O-N 2.98Å
161	R	91.5	Very high	93.8	Very high	103 Å²	103	34.8 Å²	34.8	39%	0.389	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	12.8	179.1	-65.9	-173.5	178.4	151.3	-0.1	114.9	L159 I164 Y440 D443	L159-R161 PolarHBondContact O-N 3.35Å; L159-R161 VanDerWaalsContact O-N 3.12Å; R161-I164 CarbonylContact O-C 3.46Å; R161-I164 PolarHBondContact O-N 2.61Å; R161-Y440 HydrophobicContact CG-CD1 4.28Å; R161-Y440 HydrophobicContact CG-CE1 4.41Å; R161-D443 IonicContact CZ-OD2 3.04Å; R161-D443 IonicContact NE-OD2 3.4Å; R161-D443 IonicContact NH1-OD2 3.85Å; R161-D443 PolarHBondContact NH1-OD2 3.47Å; R161-D443 IonicContact NH2-OD2 2.88Å; R161-D443 PolarHBondContact NH2-OD2 3.03Å
162	F	92.5	Very high	93.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	131.3	-179.6	176	-89.8	0	0	0	112	L159 Y238 I285 L289 I298	L159-F162 HydrophobicContact CB-CB 4.32Å; L159-F162 HydrophobicContact CD2-CD2 4.47Å; L159-F162 VanDerWaalsContact O-CB 3.26Å; L159-F162 WeakPolarHBondContact O-CB 3.45Å; L159-F162 PolarHBondContact O-N 3.46Å; F162-Y238 HydrophobicContact CE1-CD1 4.32Å; F162-Y238 HydrophobicContact CE1-CE1 4.39Å; F162-Y238 HydrophobicContact CE2-CE1 4.01Å; F162-Y238 HydrophobicContact CE2-CE2 4.42Å; F162-Y238 AromaticContact CE2-CZ 3.91Å; F162-Y238 AromaticContact CZ-CD1 3.7Å; F162-Y238 HydrophobicContact CZ-CD1 3.7Å; F162-Y238 AromaticContact CZ-CE1 3.39Å; F162-Y238 HydrophobicContact CZ-CE1 3.39Å; F162-Y238 HydrophobicContact CZ-CE2 4.47Å; F162-Y238 HydrophobicContact CZ-CG 4.36Å; F162-Y238 AromaticContact CZ-CZ 3.79Å; F162-I285 HydrophobicContact CE1-CG2 4.33Å; F162-L289 HydrophobicContact CD1-CD1 3.87Å; F162-L289 HydrophobicContact CD2-CD2 4.02Å; F162-L289 HydrophobicContact CE1-CD1 3.68Å; F162-L289 HydrophobicContact CE1-CD2 4.42Å; F162-L289 HydrophobicContact CE2-CD1 4.38Å; F162-L289 HydrophobicContact CE2-CD2 3.65Å; F162-L289 HydrophobicContact CG-CD1 4.3Å; F162-L289 HydrophobicContact CZ-CD1 3.92Å; F162-L289 HydrophobicContact CZ-CD2 3.84Å; F162-L289 HydrophobicContact CZ-CG 4.32Å; F162-I298 HydrophobicContact CD1-CB 4.27Å; F162-I298 HydrophobicContact CD1-CG2 3.88Å; F162-I298 HydrophobicContact CE1-CG2 4.46Å
163	P	90.8	Very high	93.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.9	8.2	10.2	38.4	-37.1	0	0	0	115.5	D165 R233 Y238 Y243	P163-D165 PolarHBondContact O-N 2.92Å; P163-R233 WeakPolarHBondContact O-CD 3.45Å; P163-Y238 HydrophobicContact CB-CD1 4.46Å; P163-Y238 HydrophobicContact CB-CD2 3.73Å; P163-Y238 HydrophobicContact CB-CE2 4.38Å; P163-Y238 HydrophobicContact CB-CG 3.74Å; P163-Y238 HydrophobicContact CG-CG 4.29Å; P163-Y243 HydrophobicContact CG-CE2 4.12Å
164	I	91.5	Very high	93.8	Very high	17 Å²	17	33.3 Å²	33.3	9%	0.087	18%	0.178	C	C	.	.	S	Bend	trans	-99.5	45.5	-178.8	-45.2	174.9	0	0	0	109	R161 Y235 W437 L441 V444	R161-I164 CarbonylContact O-C 3.46Å; R161-I164 PolarHBondContact O-N 2.61Å; I164-Y235 HydrophobicContact CG1-CG 4.49Å; I164-W437 HydrophobicContact CD1-CZ3 4.04Å; I164-L441 HydrophobicContact CD1-CD2 3.76Å; I164-L441 HydrophobicContact CD1-CG 4.44Å; I164-V444 HydrophobicContact CG2-CG2 3.19Å
165	D	92	Very high	93.7	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	16%	0.16	C	C	.	.			trans	-96	150.8	-177.3	54.9	-48.7	0	0	0	111.6	P163 Q167 R233	P163-D165 PolarHBondContact O-N 2.92Å; D165-Q167 PolarHBondContact OD2-NE2 2.61Å; D165-R233 PolarHBondContact O-N 2.98Å; D165-R233 WeakPolarHBondContact OD1-CD 3.33Å; D165-R233 IonicContact OD1-CZ 3.46Å; D165-R233 IonicContact OD1-NE 3.22Å; D165-R233 PolarHBondContact OD1-NE 2.64Å; D165-R233 IonicContact OD1-NH2 3.23Å; D165-R233 IonicContact OD2-CZ 3.89Å; D165-R233 IonicContact OD2-NE 3.73Å; D165-R233 PolarHBondContact OD2-NE 2.98Å; D165-R233 IonicContact OD2-NH2 2.75Å; D165-R233 PolarHBondContact OD2-NH2 3.09Å
166	T	92.6	Very high	93.7	Very high	40 Å²	40	39.1 Å²	39.1	25%	0.245	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.6	170.7	-59.5	0	0	0	0	107.9	Y168 E230 F231 T232	T166-Y168 HydrophobicContact CG2-CE1 4.35Å; T166-Y168 HydrophobicContact CG2-CE2 4.11Å; T166-E230 HydrophobicContact CG2-CG 3.37Å; T166-F231 CarbonylContact C-O 3.41Å; T166-F231 WeakPolarHBondContact CA-O 3.31Å; T166-T232 HydrophobicContact CG2-CG2 4.25Å
167	Q	93.9	Very high	93.6	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.2	-178.5	-56.1	-55.5	-26.4	0	0	110.6	L66 D158 D165 F203 F231	L66-Q167 HydrophobicContact CD2-CB 4.05Å; L66-Q167 HydrophobicContact CD2-CG 4.3Å; D158-Q167 PolarHBondContact O-NE2 3.03Å; D165-Q167 PolarHBondContact OD2-NE2 2.61Å; Q167-F203 HydrophobicContact CG-CE1 3.94Å; Q167-F203 HydrophobicContact CG-CZ 4.48Å; Q167-F231 HydrophobicContact CB-CB 4.41Å; Q167-F231 PolarHBondContact N-O 3.4Å; Q167-F231 PolarHBondContact O-N 2.89Å
168	Y	95.1	Very high	93.7	Very high	114 Å²	114	38.4 Å²	38.4	45%	0.447	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.7	179.6	-60.9	-83.5	0	0	0	109.4	C155 T166 E228 F229 E230	C155-Y168 PolarHBondContact SG-O 2.9Å; T166-Y168 HydrophobicContact CG2-CE1 4.35Å; T166-Y168 HydrophobicContact CG2-CE2 4.11Å; Y168-E228 HydrophobicContact CD1-CG 4.41Å; Y168-F229 WeakPolarHBondContact CA-O 3.45Å; Y168-E230 HydrophobicContact CD1-CB 4.3Å; Y168-E230 HydrophobicContact CD1-CG 4.26Å; Y168-E230 HydrophobicContact CE1-CB 4.12Å; Y168-E230 HydrophobicContact CE1-CG 3.69Å
169	C	95.8	Very high	93.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.4	179.2	-52.4	0	0	0	0	110.3	F73 C155 E228 F229 F231	F73-C169 HydrophobicContact CD1-CB 3.52Å; F73-C169 HydrophobicContact CE1-CB 3.67Å; F73-C169 HydrophobicContact CG-CB 4.06Å; F73-C169 HydrophobicContact CZ-CB 4.36Å; C155-C169 HydrophobicContact CB-CB 3.72Å; C155-C169 WeakPolarHBondContact CB-SG 3.39Å; C155-C169 WeakPolarHBondContact SG-CA 3.43Å; C155-C169 WeakPolarHBondContact SG-CB 3.47Å; C155-C169 CovalentContact SG-SG 2.04Å; C155-C169 PolarHBondContact SG-SG 2.93Å; C169-E228 CarbonylContact O-C 3.52Å; C169-E228 WeakPolarHBondContact O-CA 3.47Å; C169-F229 PolarHBondContact N-O 3.28Å; C169-F229 PolarHBondContact O-N 3.49Å; C169-F231 HydrophobicContact CB-CD2 4.41Å; C169-F231 HydrophobicContact CB-CE2 4.05Å
170	Q	96	Very high	94	Very high	78 Å²	78	37.6 Å²	37.6	36%	0.364	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.7	-172.7	-64.6	177.9	-5.6	0	0	112.2	N119 S153 T226 V227 E228	N119-Q170 PolarHBondContact ND2-O 3.48Å; S153-Q170 PolarHBondContact OG-O 3.14Å; Q170-T226 HydrophobicContact CB-CG2 4.12Å; Q170-T226 HydrophobicContact CG-CG2 4.21Å; Q170-V227 CarbonylContact C-O 3.44Å; Q170-V227 WeakPolarHBondContact CA-O 3.24Å; Q170-E228 HydrophobicContact CG-CB 3.97Å; Q170-E228 HydrophobicContact CG-CG 3.99Å; Q170-E228 PolarHBondContact NE2-OE2 3.41Å
171	L	96.6	Very high	94	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.9	161.1	-65.3	178.9	0	0	0	108.9	F73 I77 I117 V151 F173 T226 V227 F229	F73-L171 HydrophobicContact CE1-CD2 4.11Å; F73-L171 HydrophobicContact CE2-CD2 4.41Å; F73-L171 HydrophobicContact CZ-CD1 4.39Å; F73-L171 HydrophobicContact CZ-CD2 3.51Å; F73-L171 HydrophobicContact CZ-CG 3.73Å; I77-L171 HydrophobicContact CD1-CD1 3.88Å; I117-L171 HydrophobicContact CG2-CD2 4.23Å; V151-L171 HydrophobicContact CG1-CD1 4.22Å; V151-L171 HydrophobicContact CG1-CD2 4.21Å; V151-L171 HydrophobicContact CG2-CD2 3.99Å; L171-F173 HydrophobicContact CB-CE2 3.69Å; L171-F173 HydrophobicContact CB-CZ 4.02Å; L171-F173 HydrophobicContact CD1-CZ 4.21Å; L171-T226 WeakPolarHBondContact O-CA 3.43Å; L171-V227 PolarHBondContact N-O 2.81Å; L171-V227 PolarHBondContact O-N 2.7Å; L171-F229 HydrophobicContact CD1-CE2 3.88Å; L171-F229 HydrophobicContact CD1-CZ 4.44Å; L171-F229 HydrophobicContact CG-CE2 3.98Å
172	V	96.7	Very high	94.1	Very high	13 Å²	13	35.4 Å²	35.4	8%	0.079	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.3	-176	-174.5	0	0	0	0	108.5	I117 V118 N119 R224 L225 T226	I117-V172 CarbonylContact C-O 3.53Å; I117-V172 VanDerWaalsContact CA-O 3.26Å; I117-V172 WeakPolarHBondContact CA-O 3.47Å; V118-V172 HydrophobicContact CG2-CB 3.63Å; V118-V172 HydrophobicContact CG2-CG1 3.35Å; V118-V172 WeakPolarHBondContact CG2-O 3.38Å; V118-V172 PolarHBondContact N-O 3.13Å; N119-V172 HydrophobicContact CB-CB 4.29Å; N119-V172 HydrophobicContact CB-CG2 4.24Å; N119-V172 PolarHBondContact OD1-N 3.39Å; V172-R224 HydrophobicContact CG1-CG 3.34Å; V172-L225 CarbonylContact C-O 3.58Å; V172-L225 WeakPolarHBondContact CA-O 3.26Å; V172-T226 HydrophobicContact CG2-CG2 4.17Å
173	F	96.9	Very high	94.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.3	-179.9	-54.6	-96.2	0	0	0	110.4	V58 I77 F79 V115 C116 I117 L171 W187 L225 V227	V58-F173 HydrophobicContact CG1-CZ 4.47Å; V58-F173 HydrophobicContact CG2-CD2 4.49Å; V58-F173 HydrophobicContact CG2-CE1 4.02Å; V58-F173 HydrophobicContact CG2-CE2 3.65Å; V58-F173 HydrophobicContact CG2-CZ 3.37Å; I77-F173 HydrophobicContact CD1-CZ 4.23Å; F79-F173 AromaticContact CD2-CD1 3.72Å; F79-F173 HydrophobicContact CD2-CD1 3.72Å; F79-F173 AromaticContact CD2-CE1 3.44Å; F79-F173 HydrophobicContact CD2-CE1 3.44Å; F79-F173 VanDerWaalsContact CD2-CE1 3.44Å; F79-F173 HydrophobicContact CD2-CZ 4.4Å; F79-F173 AromaticContact CE2-CD1 3.39Å; F79-F173 HydrophobicContact CE2-CD1 3.39Å; F79-F173 AromaticContact CE2-CE1 3.66Å; F79-F173 HydrophobicContact CE2-CE1 3.66Å; F79-F173 HydrophobicContact CE2-CG 4.29Å; F79-F173 HydrophobicContact CG-CE1 4.43Å; F79-F173 HydrophobicContact CZ-CD1 4.32Å; V115-F173 HydrophobicContact CG1-CB 4.12Å; C116-F173 VanDerWaalsContact O-CA 3.3Å; C116-F173 WeakPolarHBondContact O-CA 3.44Å; I117-F173 HydrophobicContact CD1-CE1 3.83Å; I117-F173 HydrophobicContact CD1-CZ 4.3Å; I117-F173 HydrophobicContact CG1-CD1 3.74Å; I117-F173 HydrophobicContact CG1-CE1 3.44Å; I117-F173 VanDerWaalsContact CG1-CE1 3.44Å; I117-F173 HydrophobicContact CG1-CZ 4.18Å; L171-F173 HydrophobicContact CB-CE2 3.69Å; L171-F173 HydrophobicContact CB-CZ 4.02Å; L171-F173 HydrophobicContact CD1-CZ 4.21Å; F173-W187 AromaticContact CD2-CH2 3.94Å; F173-W187 HydrophobicContact CD2-CH2 3.94Å; F173-W187 HydrophobicContact CE2-CH2 4.16Å; F173-L225 HydrophobicContact CB-CB 4.2Å; F173-L225 PolarHBondContact N-O 2.84Å; F173-L225 PolarHBondContact O-N 3.07Å; F173-V227 HydrophobicContact CE2-CG2 4.18Å
174	E	95.8	Very high	94.5	Very high	9 Å²	9	36.4 Å²	36.4	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	149.8	-177.4	-165.4	178	129.7	0	0	109.5	V115 C116 V118 Y176 Y217 W222 R224	V115-E174 CarbonylContact C-O 3.49Å; V115-E174 WeakPolarHBondContact CA-O 3.46Å; C116-E174 PolarHBondContact N-O 3.31Å; C116-E174 PolarHBondContact O-N 3.04Å; V118-E174 HydrophobicContact CG1-CB 3.71Å; V118-E174 HydrophobicContact CG2-CB 4.33Å; E174-Y176 PolarHBondContact O-N 2.96Å; E174-Y217 VanDerWaalsContact CD-OH 3.3Å; E174-Y217 WeakPolarHBondContact OE1-CE2 3.35Å; E174-Y217 PolarHBondContact OE1-OH 3.02Å; E174-Y217 PolarHBondContact OE2-OH 3.32Å; E174-W222 HydrophobicContact CG-CB 4.02Å; E174-W222 HydrophobicContact CG-CG 4.26Å; E174-R224 IonicContact OE2-CZ 3.78Å; E174-R224 IonicContact OE2-NE 2.73Å; E174-R224 PolarHBondContact OE2-NE 3.06Å; E174-R224 IonicContact OE2-NH2 3.48Å; E174-R224 PolarHBondContact OE2-NH2 3.45Å
175	S	95.2	Very high	94.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	121.2	168.8	152.3	0	0	0	0	109.7	P113 S177 Y178 W222	P113-S175 PolarHBondContact O-OG 3.45Å; S175-S177 VanDerWaalsContact C-N 3.34Å; S175-S177 PolarHBondContact O-N 2.86Å; S175-Y178 WeakPolarHBondContact CB-O 3.48Å; S175-Y178 WeakPolarHBondContact OG-CA 3.27Å; S175-Y178 VanDerWaalsContact OG-CB 3.3Å; S175-Y178 WeakPolarHBondContact OG-CB 3.39Å; S175-Y178 PolarHBondContact OG-N 3.46Å; S175-Y178 PolarHBondContact OG-O 3.43Å; S175-W222 PolarHBondContact O-NE1 3.02Å
176	Y	93.9	Very high	94.9	Very high	184 Å²	184	37.5 Å²	37.5	72%	0.722	20%	0.195	S	C	*	.	S	Bend	trans	-67.9	-32.9	-177.7	-172.7	-104.6	0	0	0	113.2	N114 E174	N114-Y176 PolarHBondContact O-N 3.09Å; E174-Y176 PolarHBondContact O-N 2.96Å
177	S	91.5	Very high	95.1	Very high	61 Å²	61	37.5 Å²	37.5	43%	0.427	19%	0.19	S	C	.	.	S	Bend	trans	-108.8	-21.7	-168.8	-54.2	0	0	0	0	114.3	N114 S175	N114-S177 PolarHBondContact ND2-OG 3.15Å; S175-S177 VanDerWaalsContact C-N 3.34Å; S175-S177 PolarHBondContact O-N 2.86Å
178	Y	93.8	Very high	95.2	Very high	51 Å²	51	40.6 Å²	40.6	20%	0.2	21%	0.205	C	C	.	.			trans	-123.6	130.5	-167	-54.7	-71.6	0	0	0	112.3	L47 W111 S175 V183 W222	L47-Y178 HydrophobicContact CD1-CD1 4.47Å; L47-Y178 HydrophobicContact CD1-CE1 4.39Å; W111-Y178 HydrophobicContact CZ2-CD2 4.21Å; W111-Y178 AromaticContact CZ2-CE2 3.84Å; W111-Y178 HydrophobicContact CZ2-CE2 3.84Å; W111-Y178 AromaticContact NE1-CE2 3.71Å; W111-Y178 AromaticContact NE1-CZ 3.37Å; W111-Y178 PolarHBondContact NE1-OH 3.14Å; S175-Y178 WeakPolarHBondContact CB-O 3.48Å; S175-Y178 WeakPolarHBondContact OG-CA 3.27Å; S175-Y178 VanDerWaalsContact OG-CB 3.3Å; S175-Y178 WeakPolarHBondContact OG-CB 3.39Å; S175-Y178 PolarHBondContact OG-N 3.46Å; S175-Y178 PolarHBondContact OG-O 3.43Å; Y178-V183 VanDerWaalsContact CB-CG2 3.46Å; Y178-V183 HydrophobicContact CD2-CG2 3.89Å; Y178-V183 HydrophobicContact CG-CG2 3.73Å; Y178-W222 VanDerWaalsContact O-CD1 3.28Å; Y178-W222 PolarHBondContact O-NE1 2.84Å
179	N	94.6	Very high	95.1	Very high	49 Å²	49	39.9 Å²	39.9	26%	0.262	22%	0.223	S	C	.	.			trans	-79.3	176.8	176	65.9	6.3	0	0	0	112.7	A181 S182 V183 E221 W222	N179-A181 PolarHBondContact O-N 3.43Å; N179-A181 PolarHBondContact OD1-N 3.01Å; N179-S182 PolarHBondContact O-N 2.96Å; N179-S182 WeakPolarHBondContact OD1-CB 3.41Å; N179-S182 PolarHBondContact OD1-N 3.22Å; N179-S182 PolarHBondContact OD1-OG 3.33Å; N179-V183 PolarHBondContact O-N 3.46Å; N179-E221 WeakPolarHBondContact CA-O 3.42Å; N179-E221 WeakPolarHBondContact CB-O 3.45Å; N179-W222 HydrophobicContact CB-CD2 4.3Å; N179-W222 HydrophobicContact CB-CE3 4.39Å; N179-W222 HydrophobicContact CB-CH2 4.06Å; N179-W222 HydrophobicContact CB-CZ2 3.98Å; N179-W222 HydrophobicContact CB-CZ3 4.31Å
180	T	94.2	Very high	95	Very high	29 Å²	29	45.3 Å²	45.3	18%	0.178	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.4	-179.6	55	0	0	0	0	114.2	S182 T214 E221 Y223	T180-S182 VanDerWaalsContact C-N 3.32Å; T180-T214 HydrophobicContact CG2-CG2 4.23Å; T180-E221 HydrophobicContact CG2-CB 3.97Å; T180-E221 VanDerWaalsContact CG2-O 3.24Å; T180-E221 WeakPolarHBondContact CG2-O 3.26Å; T180-E221 PolarHBondContact N-O 2.95Å; T180-E221 PolarHBondContact OG1-O 3.42Å; T180-Y223 HydrophobicContact CG2-CD1 4.13Å; T180-Y223 HydrophobicContact CG2-CD2 3.57Å; T180-Y223 HydrophobicContact CG2-CE1 4.09Å; T180-Y223 HydrophobicContact CG2-CE2 3.56Å; T180-Y223 HydrophobicContact CG2-CG 3.89Å
181	A	93.3	Very high	94.8	Very high	64 Å²	64	42.7 Å²	42.7	53%	0.529	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-25.2	178.2	0	0	0	0	0	113	N179	N179-A181 PolarHBondContact O-N 3.43Å; N179-A181 PolarHBondContact OD1-N 3.01Å
182	S	94	Very high	94.7	Very high	24 Å²	24	43 Å²	43	17%	0.168	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-43.2	-175.9	-57.4	0	0	0	0	111.8	P51 V52 N179 T180	P51-S182 CarbonylContact C-O 3.59Å; P51-S182 VanDerWaalsContact CA-O 3.32Å; P51-S182 WeakPolarHBondContact CA-O 3.29Å; V52-S182 PolarHBondContact N-O 2.82Å; N179-S182 PolarHBondContact O-N 2.96Å; N179-S182 WeakPolarHBondContact OD1-CB 3.41Å; N179-S182 PolarHBondContact OD1-N 3.22Å; N179-S182 PolarHBondContact OD1-OG 3.33Å; T180-S182 VanDerWaalsContact C-N 3.32Å
183	V	95.4	Very high	94.6	Very high	2 Å²	2	45 Å²	45	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	127.2	-176	174.9	0	0	0	0	110	L47 V52 V54 W111 P113 Y178 N179 V185	L47-V183 HydrophobicContact CD1-CG2 4.17Å; V52-V183 WeakPolarHBondContact O-CA 3.49Å; V54-V183 HydrophobicContact CB-CG1 4.38Å; V54-V183 HydrophobicContact CG2-CG1 3.63Å; W111-V183 HydrophobicContact CH2-CG2 4.04Å; W111-V183 HydrophobicContact CZ2-CG2 3.99Å; P113-V183 HydrophobicContact CB-CG1 4.43Å; Y178-V183 VanDerWaalsContact CB-CG2 3.46Å; Y178-V183 HydrophobicContact CD2-CG2 3.89Å; Y178-V183 HydrophobicContact CG-CG2 3.73Å; N179-V183 PolarHBondContact O-N 3.46Å; V183-V185 HydrophobicContact CG1-CG2 3.83Å
184	S	95.1	Very high	94.3	Very high	21 Å²	21	47.3 Å²	47.3	15%	0.147	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	104.1	173.1	-173.5	0	0	0	0	109.9	V52 V54 N186	V52-S184 PolarHBondContact O-N 3.2Å; V54-S184 PolarHBondContact N-O 3.36Å; S184-N186 PolarHBondContact OG-ND2 2.77Å
185	V	95.7	Very high	93.9	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.4	179.1	-165	0	0	0	0	109.3	V54 V56 V115 V183 L225	V54-V185 WeakPolarHBondContact O-CA 3.41Å; V56-V185 HydrophobicContact CG2-CG1 3.65Å; V115-V185 HydrophobicContact CG1-CG1 4.45Å; V115-V185 HydrophobicContact CG2-CG1 4.27Å; V115-V185 HydrophobicContact CG2-CG2 4.21Å; V183-V185 HydrophobicContact CG1-CG2 3.83Å; V185-L225 HydrophobicContact CG1-CD1 3.57Å; V185-L225 HydrophobicContact CG1-CG 4.02Å
186	N	96.9	Very high	93	Very high	42 Å²	42	55.7 Å²	55.7	23%	0.225	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.6	-178.4	-64.3	-63.4	0	0	0	111.3	V54 Q55 V56 S184 R212	V54-N186 PolarHBondContact O-N 2.99Å; Q55-N186 CarbonylContact C-O 3.45Å; Q55-N186 VanDerWaalsContact CA-O 3.3Å; Q55-N186 WeakPolarHBondContact CA-O 3.32Å; V56-N186 PolarHBondContact N-O 2.97Å; S184-N186 PolarHBondContact OG-ND2 2.77Å; N186-R212 WeakPolarHBondContact OD1-CD 3.31Å; N186-R212 PolarHBondContact OD1-NH1 2.73Å
187	W	97.5	Very high	92	Very high	40 Å²	40	55.2 Å²	55.2	15%	0.152	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	144	169.8	-76.3	123.4	0	0	0	111.2	V56 V58 F173 P191 S211 L225 V227	V56-W187 HydrophobicContact CB-CE3 4.49Å; V56-W187 HydrophobicContact CB-CZ3 4.44Å; V56-W187 HydrophobicContact CG1-CE3 4.42Å; V56-W187 HydrophobicContact CG1-CZ3 3.91Å; V58-W187 HydrophobicContact CG2-CH2 4.23Å; V58-W187 HydrophobicContact CG2-CZ3 4.07Å; F173-W187 AromaticContact CD2-CH2 3.94Å; F173-W187 HydrophobicContact CD2-CH2 3.94Å; F173-W187 HydrophobicContact CE2-CH2 4.16Å; W187-P191 HydrophobicContact CB-CB 3.96Å; W187-P191 HydrophobicContact CD2-CB 3.6Å; W187-P191 HydrophobicContact CE3-CB 3.45Å; W187-P191 VanDerWaalsContact CE3-CB 3.45Å; W187-P191 HydrophobicContact CG-CB 3.83Å; W187-P191 HydrophobicContact CZ3-CB 4.22Å; W187-S211 PolarHBondContact NE1-O 3.35Å; W187-L225 HydrophobicContact CD2-CB 4.39Å; W187-L225 HydrophobicContact CD2-CD1 3.93Å; W187-L225 HydrophobicContact CD2-CD2 4.3Å; W187-L225 HydrophobicContact CD2-CG 4.45Å; W187-L225 HydrophobicContact CE3-CD1 4.11Å; W187-L225 HydrophobicContact CG-CD1 4.36Å; W187-L225 HydrophobicContact CG-CD2 4.11Å; W187-L225 HydrophobicContact CH2-CB 4.07Å; W187-L225 HydrophobicContact CH2-CD1 4.44Å; W187-L225 HydrophobicContact CZ2-CB 3.5Å; W187-L225 HydrophobicContact CZ2-CD1 4.34Å; W187-L225 HydrophobicContact CZ2-CG 4.41Å; W187-L225 HydrophobicContact CZ3-CD1 4.36Å; W187-V227 HydrophobicContact CH2-CG2 3.29Å; W187-V227 HydrophobicContact CZ2-CG2 3.5Å; W187-V227 VanDerWaalsContact CZ2-CG2 3.5Å; W187-V227 HydrophobicContact CZ3-CG2 4.27Å
188	M	95.8	Very high	91.2	Very high	67 Å²	67	53.6 Å²	53.6	33%	0.33	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	166.6	164.1	-156.3	168.5	-174.2	0	0	110.4	V56 E57 I82 N190	V56-M188 PolarHBondContact O-N 3.49Å; E57-M188 HydrophobicContact CB-CB 4.26Å; E57-M188 HydrophobicContact CB-SD 4.41Å; I82-M188 HydrophobicContact CD1-CE 4.08Å; I82-M188 HydrophobicContact CD1-SD 4.14Å; M188-N190 PolarHBondContact O-N 3.38Å
189	A	92.8	Very high	90.3	Very high	99 Å²	99	55.7 Å²	55.7	82%	0.818	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54	-40.7	179.8	0	0	0	0	0	112.7	P191	A189-P191 WeakPolarHBondContact O-CD 3.42Å
190	N	93.5	Very high	89.6	Confident	115 Å²	115	54 Å²	54	62%	0.615	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	97.4	166.2	-64.8	-29.6	0	0	0	107.9	M188	M188-N190 PolarHBondContact O-N 3.38Å
191	P	92.7	Very high	88.9	Confident	23 Å²	23	56.8 Å²	56.8	15%	0.149	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-35.3	-173.9	25.7	-33.9	0	0	0	113.1	E57 V58 W187 A189 T210	E57-P191 WeakPolarHBondContact CA-O 3.33Å; V58-P191 PolarHBondContact N-O 3.48Å; W187-P191 HydrophobicContact CB-CB 3.96Å; W187-P191 HydrophobicContact CD2-CB 3.6Å; W187-P191 HydrophobicContact CE3-CB 3.45Å; W187-P191 VanDerWaalsContact CE3-CB 3.45Å; W187-P191 HydrophobicContact CG-CB 3.83Å; W187-P191 HydrophobicContact CZ3-CB 4.22Å; A189-P191 WeakPolarHBondContact O-CD 3.42Å; P191-T210 HydrophobicContact CB-CG2 3.92Å; P191-T210 HydrophobicContact CG-CG2 3.7Å
192	V	94	Very high	88.5	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.03	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	125.7	-175	179.4	0	0	0	0	109.8	V58 V60 V194 Y208 T210 V227 F229	V58-V192 HydrophobicContact CB-CG2 4.5Å; V58-V192 VanDerWaalsContact O-CA 3.23Å; V58-V192 WeakPolarHBondContact O-CA 3.37Å; V60-V192 HydrophobicContact CG2-CG1 4.21Å; V192-V194 HydrophobicContact CG1-CG2 4.19Å; V192-Y208 HydrophobicContact CB-CD2 3.83Å; V192-Y208 HydrophobicContact CB-CE2 3.62Å; V192-Y208 HydrophobicContact CG1-CD2 3.96Å; V192-Y208 HydrophobicContact CG1-CE2 3.97Å; V192-Y208 HydrophobicContact CG1-CG 4.28Å; V192-Y208 HydrophobicContact CG2-CD2 4.31Å; V192-Y208 HydrophobicContact CG2-CE2 4.47Å; V192-Y208 PolarHBondContact O-OH 2.88Å; V192-T210 HydrophobicContact CG2-CG2 3.62Å; V192-V227 HydrophobicContact CG2-CB 4.39Å; V192-V227 HydrophobicContact CG2-CG1 3.73Å; V192-V227 HydrophobicContact CG2-CG2 3.69Å; V192-F229 HydrophobicContact CG1-CE1 4.49Å
193	T	93.7	Very high	88.4	Confident	55 Å²	55	57.1 Å²	57.1	34%	0.337	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.8	174.7	-58.5	0	0	0	0	108.4	E57 V58 T59 V60	E57-T193 PolarHBondContact OE1-OG1 2.95Å; V58-T193 PolarHBondContact O-N 3.38Å; T59-T193 CarbonylContact C-O 3.57Å; T59-T193 WeakPolarHBondContact CA-O 3.47Å; T59-T193 HydrophobicContact CG2-CG2 4.41Å; V60-T193 PolarHBondContact N-O 3.5Å
194	V	91	Very high	88.1	Confident	49 Å²	49	60.3 Å²	60.3	30%	0.297	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.2	-179.4	-174.7	0	0	0	0	108.4	V192 I198 L205 Y208	V192-V194 HydrophobicContact CG1-CG2 4.19Å; V194-I198 HydrophobicContact CG1-CD1 3.36Å; V194-I198 HydrophobicContact CG1-CG1 4.26Å; V194-L205 HydrophobicContact CG1-CD2 3.91Å; V194-L205 HydrophobicContact CG2-CD2 4.35Å; V194-Y208 HydrophobicContact CG2-CD1 4Å; V194-Y208 HydrophobicContact CG2-CE1 3.78Å
195	L	87.9	Confident	87.9	Confident	59 Å²	59	61.1 Å²	61.1	31%	0.309	36%	0.361	S	S	.	.			trans	-67.7	144.1	173.6	-69.3	179.7	0	0	0	110.3	T59 V60 Q61 E197 I198	T59-L195 HydrophobicContact CG2-CG 4.44Å; V60-L195 PolarHBondContact O-N 3.29Å; V60-L195 VanDerWaalsContact O-N 3.09Å; Q61-L195 HydrophobicContact CB-CD1 4.11Å; Q61-L195 HydrophobicContact CG-CD1 3.79Å; L195-E197 PolarHBondContact O-N 3.4Å; L195-I198 WeakPolarHBondContact O-CG1 3.44Å
196	P	75.7	Confident	87.6	Confident	128 Å²	128	63.4 Å²	63.4	83%	0.831	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.8	-171.2	25.1	-33.9	0	0	0	114.9
197	E	73.1	Confident	87.3	Confident	174 Å²	174	65.2 Å²	65.2	81%	0.813	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	19.6	-172.5	-63.9	-175.5	171.5	0	0	114.2	L195 S199	L195-E197 PolarHBondContact O-N 3.4Å; E197-S199 PolarHBondContact O-N 3.25Å
198	I	74.2	Confident	87.1	Confident	28 Å²	28	68.6 Å²	68.6	14%	0.144	40%	0.395	C	S	.	.			trans	-76.8	98.9	179.2	-55.8	-176.6	0	0	0	109.7	V60 V63 V194 L195 L200 L205	V60-I198 HydrophobicContact CB-CD1 4.16Å; V60-I198 HydrophobicContact CG1-CD1 3.59Å; V63-I198 HydrophobicContact CB-CG2 4.22Å; V63-I198 HydrophobicContact CG2-CG2 4.06Å; V194-I198 HydrophobicContact CG1-CD1 3.36Å; V194-I198 HydrophobicContact CG1-CG1 4.26Å; L195-I198 WeakPolarHBondContact O-CG1 3.44Å; I198-L200 HydrophobicContact CG2-CD1 3.97Å; I198-L205 HydrophobicContact CD1-CD2 4.5Å
199	S	74.3	Confident	87.1	Confident	95 Å²	95	74 Å²	74	66%	0.664	41%	0.412	S	S	*	.			trans	-115	109.8	170.5	67.8	0	0	0	0	110.2	E197	E197-S199 PolarHBondContact O-N 3.25Å
200	L	80.8	Confident	87.3	Confident	13 Å²	13	71.6 Å²	71.6	7%	0.068	39%	0.387	C	S	.	.			trans	-89.5	151.2	168	-42.3	86.7	0	0	0	110.2	V63 I198 F203 F231 K234	V63-L200 HydrophobicContact CB-CD1 4.36Å; V63-L200 HydrophobicContact CB-CD2 3.73Å; V63-L200 HydrophobicContact CB-CG 4.11Å; V63-L200 HydrophobicContact CG1-CD2 3.49Å; V63-L200 VanDerWaalsContact CG1-CD2 3.49Å; V63-L200 HydrophobicContact CG1-CG 4.41Å; I198-L200 HydrophobicContact CG2-CD1 3.97Å; L200-F203 VanDerWaalsContact CB-O 3.31Å; L200-F203 WeakPolarHBondContact CB-O 3.08Å; L200-F203 HydrophobicContact CD2-CB 4.49Å; L200-F231 HydrophobicContact CD2-CE1 4.35Å; L200-K234 PolarHBondContact O-NZ 2.95Å
201	A	79.6	Confident	87.4	Confident	87 Å²	87	68.5 Å²	68.5	72%	0.719	37%	0.374	S	S	*	.	S	Bend	trans	-67.7	-43.8	179.8	0	0	0	0	0	112.5	K234	A201-K234 WeakPolarHBondContact O-CD 3.35Å
202	D	85.1	Confident	87.6	Confident	93 Å²	93	74 Å²	74	50%	0.497	39%	0.392	S	S	.	.	S	Bend	trans	-106.5	-15.7	-169.5	-62.4	-23.9	0	0	0	113.9	K234	D202-K234 PolarHBondContact O-N 3.15Å
203	F	90.7	Very high	87.6	Confident	3 Å²	3	77.1 Å²	77.1	1%	0.013	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	160.4	-174.5	-65.9	-91.3	0	0	0	111.6	L66 V68 Q167 L200 F231 T232 R233	L66-F203 HydrophobicContact CB-CD2 3.74Å; L66-F203 HydrophobicContact CB-CE2 3.68Å; L66-F203 HydrophobicContact CB-CZ 4.37Å; L66-F203 HydrophobicContact CD2-CD1 4.09Å; L66-F203 HydrophobicContact CD2-CD2 4.07Å; L66-F203 HydrophobicContact CD2-CE1 3.88Å; L66-F203 HydrophobicContact CD2-CE2 3.86Å; L66-F203 HydrophobicContact CD2-CG 4.17Å; L66-F203 HydrophobicContact CD2-CZ 3.72Å; L66-F203 HydrophobicContact CG-CE2 4.4Å; V68-F203 HydrophobicContact CG2-CZ 4.42Å; Q167-F203 HydrophobicContact CG-CE1 3.94Å; Q167-F203 HydrophobicContact CG-CZ 4.48Å; L200-F203 VanDerWaalsContact CB-O 3.31Å; L200-F203 WeakPolarHBondContact CB-O 3.08Å; L200-F203 HydrophobicContact CD2-CB 4.49Å; F203-F231 HydrophobicContact CB-CB 4.34Å; F203-F231 HydrophobicContact CD1-CB 4.1Å; F203-F231 HydrophobicContact CG-CB 4.48Å; F203-T232 CarbonylContact C-O 3.54Å; F203-T232 VanDerWaalsContact CA-O 3.22Å; F203-T232 WeakPolarHBondContact CA-O 3.49Å; F203-R233 HydrophobicContact CD1-CB 4.02Å; F203-R233 HydrophobicContact CD1-CG 4.47Å; F203-R233 HydrophobicContact CE1-CB 3.93Å; F203-R233 HydrophobicContact CE1-CG 4.24Å; F203-R233 VanDerWaalsContact CZ-NH2 3.28Å
204	D	90.1	Very high	87.7	Confident	68 Å²	68	77.7 Å²	77.7	36%	0.364	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.4	166.8	-71.8	-43	0	0	0	109.3	S206 F231 T232 K234	D204-S206 PolarHBondContact O-N 3.27Å; D204-S206 VanDerWaalsContact O-N 3.08Å; D204-S206 PolarHBondContact O-OG 2.97Å; D204-F231 WeakPolarHBondContact O-CA 3.46Å; D204-T232 PolarHBondContact N-O 3.27Å; D204-T232 PolarHBondContact O-N 2.79Å; D204-T232 PolarHBondContact O-OG1 3.14Å; D204-K234 WeakPolarHBondContact OD1-CE 3.2Å; D204-K234 IonicContact OD1-NZ 3.04Å; D204-K234 PolarHBondContact OD1-NZ 3.34Å; D204-K234 WeakPolarHBondContact OD2-CE 3.44Å; D204-K234 IonicContact OD2-NZ 2.83Å
205	L	90.8	Very high	87.9	Confident	38 Å²	38	78.7 Å²	78.7	20%	0.199	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	105.4	168.9	175.9	61.9	0	0	0	107.8	V194 I198 F229 F231	V194-L205 HydrophobicContact CG1-CD2 3.91Å; V194-L205 HydrophobicContact CG2-CD2 4.35Å; I198-L205 HydrophobicContact CD1-CD2 4.5Å; L205-F229 HydrophobicContact CD1-CB 4.03Å; L205-F229 HydrophobicContact CD1-CD1 3.97Å; L205-F229 HydrophobicContact CD1-CG 4.44Å; L205-F231 HydrophobicContact CB-CD1 4.28Å; L205-F231 HydrophobicContact CB-CE1 4.09Å; L205-F231 HydrophobicContact CD1-CD1 4.24Å; L205-F231 HydrophobicContact CD1-CE1 3.88Å; L205-F231 HydrophobicContact CD1-CZ 4.19Å
206	S	88.5	Confident	88.3	Confident	50 Å²	50	80.3 Å²	80.3	35%	0.35	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-49.5	-172.4	-57.3	0	0	0	0	111.2	D204 E230 T232	D204-S206 PolarHBondContact O-N 3.27Å; D204-S206 VanDerWaalsContact O-N 3.08Å; D204-S206 PolarHBondContact O-OG 2.97Å; S206-E230 PolarHBondContact N-O 2.82Å; S206-T232 WeakPolarHBondContact OG-CB 3.47Å; S206-T232 WeakPolarHBondContact OG-CG2 3.4Å; S206-T232 PolarHBondContact OG-OG1 3.31Å
207	R	91	Very high	89.1	Confident	81 Å²	81	78.7 Å²	78.7	31%	0.306	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	166.1	-175.1	-59.6	176.5	-171.8	-109.1	-3.1	110.6	E230 S447 T450	R207-E230 HydrophobicContact CB-CB 4.14Å; R207-E230 PolarHBondContact N-O 2.97Å; R207-E230 PolarHBondContact O-N 3.35Å; R207-S447 PolarHBondContact NH2-O 2.98Å; R207-T450 PolarHBondContact NH1-O 3.37Å; R207-T450 PolarHBondContact NH1-OXT 3Å; R207-T450 PolarHBondContact NH2-OXT 3.06Å
208	Y	93.6	Very high	90	Very high	110 Å²	110	81 Å²	81	43%	0.431	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.2	166.7	60.4	-88.4	0	0	0	110.4	V192 V194 T210 E228	V192-Y208 HydrophobicContact CB-CD2 3.83Å; V192-Y208 HydrophobicContact CB-CE2 3.62Å; V192-Y208 HydrophobicContact CG1-CD2 3.96Å; V192-Y208 HydrophobicContact CG1-CE2 3.97Å; V192-Y208 HydrophobicContact CG1-CG 4.28Å; V192-Y208 HydrophobicContact CG2-CD2 4.31Å; V192-Y208 HydrophobicContact CG2-CE2 4.47Å; V192-Y208 PolarHBondContact O-OH 2.88Å; V194-Y208 HydrophobicContact CG2-CD1 4Å; V194-Y208 HydrophobicContact CG2-CE1 3.78Å; Y208-T210 HydrophobicContact CD2-CG2 4.5Å; Y208-E228 CarbonylContact C-O 3.56Å; Y208-E228 WeakPolarHBondContact CA-O 3.14Å; Y208-E228 WeakPolarHBondContact CB-O 3.25Å
209	R	95.8	Very high	90.9	Very high	182 Å²	182	83.5 Å²	83.5	69%	0.687	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.3	176.7	-172.3	176.1	-173.8	167.9	2.8	109.7	V227 E228	R209-V227 CarbonylContact O-C 3.52Å; R209-V227 WeakPolarHBondContact O-CA 3.44Å; R209-E228 HydrophobicContact CB-CB 4.44Å; R209-E228 PolarHBondContact N-O 3.33Å; R209-E228 PolarHBondContact O-N 2.9Å
210	T	96.5	Very high	91.8	Very high	48 Å²	48	80.3 Å²	80.3	29%	0.294	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.2	176.9	58.9	0	0	0	0	110.4	P191 V192 Y208 T226 V227	P191-T210 HydrophobicContact CB-CG2 3.92Å; P191-T210 HydrophobicContact CG-CG2 3.7Å; V192-T210 HydrophobicContact CG2-CG2 3.62Å; Y208-T210 HydrophobicContact CD2-CG2 4.5Å; T210-T226 CarbonylContact C-O 3.44Å; T210-T226 WeakPolarHBondContact CA-O 3.37Å; T210-V227 HydrophobicContact CG2-CG1 4.47Å; T210-V227 HydrophobicContact CG2-CG2 4.27Å
211	S	96.5	Very high	92.5	Very high	50 Å²	50	84.3 Å²	84.3	35%	0.35	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.4	174.5	65.1	0	0	0	0	110.9	W187 T226	W187-S211 PolarHBondContact NE1-O 3.35Å; S211-T226 PolarHBondContact N-O 3.25Å; S211-T226 PolarHBondContact O-N 2.92Å
212	R	95.9	Very high	93.3	Very high	139 Å²	139	81.3 Å²	81.3	53%	0.525	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.3	168.7	178.8	-169.3	76.1	149.7	7.4	107.4	N186 R224 L225	N186-R212 WeakPolarHBondContact OD1-CD 3.31Å; N186-R212 PolarHBondContact OD1-NH1 2.73Å; R212-R224 WeakPolarHBondContact CA-O 3.03Å; R212-L225 HydrophobicContact CB-CD2 3.8Å; R212-L225 HydrophobicContact CG-CD2 3.66Å
213	H	95.5	Very high	93.8	Very high	69 Å²	69	79.8 Å²	79.8	32%	0.319	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	167.7	174	56.3	-83.4	0	0	0	110.2	R224 T226	H213-R224 PolarHBondContact N-O 3.36Å; H213-R224 WeakPolarHBondContact NE2-CD 3.16Å; H213-R224 PolarHBondContact O-N 3.46Å; H213-T226 PolarHBondContact CE1-OG1 3.23Å; H213-T226 VanDerWaalsContact CE1-OG1 3.29Å
214	T	96.1	Very high	94.1	Very high	68 Å²	68	81.7 Å²	81.7	42%	0.417	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.6	175.7	-53.6	0	0	0	0	108.2	T180 E221 W222	T180-T214 HydrophobicContact CG2-CG2 4.23Å; T214-E221 HydrophobicContact CG2-CB 3.95Å; T214-W222 CarbonylContact C-O 3.39Å; T214-W222 WeakPolarHBondContact CA-O 3.12Å
215	E	94.3	Very high	94.5	Very high	69 Å²	69	78.5 Å²	78.5	32%	0.322	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.8	175.7	-166.8	68	-134.3	0	0	109.7	Y217 E221 W222 R224	E215-Y217 HydrophobicContact CB-CE2 4.07Å; E215-Y217 HydrophobicContact CG-CD2 4.43Å; E215-Y217 HydrophobicContact CG-CE1 4.42Å; E215-Y217 HydrophobicContact CG-CE2 3.93Å; E215-E221 WeakPolarHBondContact O-CA 3.41Å; E215-W222 PolarHBondContact N-O 3Å; E215-W222 PolarHBondContact O-N 3.45Å; E215-R224 IonicContact OE2-CZ 3.98Å; E215-R224 IonicContact OE2-NH1 3.35Å; E215-R224 PolarHBondContact OE2-NH1 3.33Å
216	V	95.9	Very high	94.8	Very high	94 Å²	94	77 Å²	77	57%	0.57	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.7	-179.5	-174.2	0	0	0	0	109.6	E221	V216-E221 HydrophobicContact CG2-CG 4.15Å
217	Y	93.8	Very high	95.1	Very high	93 Å²	93	74.6 Å²	74.6	37%	0.365	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	171.7	172.4	-60.2	-85	0	0	0	111	E174 E215 A219 G220 W222 R224	E174-Y217 VanDerWaalsContact CD-OH 3.3Å; E174-Y217 WeakPolarHBondContact OE1-CE2 3.35Å; E174-Y217 PolarHBondContact OE1-OH 3.02Å; E174-Y217 PolarHBondContact OE2-OH 3.32Å; E215-Y217 HydrophobicContact CB-CE2 4.07Å; E215-Y217 HydrophobicContact CG-CD2 4.43Å; E215-Y217 HydrophobicContact CG-CE1 4.42Å; E215-Y217 HydrophobicContact CG-CE2 3.93Å; Y217-A219 PolarHBondContact O-N 3.27Å; Y217-A219 VanDerWaalsContact O-N 3.15Å; Y217-G220 PolarHBondContact N-O 3.45Å; Y217-G220 PolarHBondContact O-N 3.16Å; Y217-G220 VanDerWaalsContact O-N 3.12Å; Y217-G220 VanDerWaalsContact O-O 3.08Å; Y217-W222 HydrophobicContact CD2-CB 4.37Å; Y217-W222 HydrophobicContact CD2-CD2 4.08Å; Y217-W222 AromaticContact CD2-CE3 3.6Å; Y217-W222 HydrophobicContact CD2-CE3 3.6Å; Y217-W222 HydrophobicContact CD2-CG 4.4Å; Y217-W222 HydrophobicContact CD2-CZ3 4.24Å; Y217-W222 HydrophobicContact CE2-CB 4.06Å; Y217-W222 HydrophobicContact CE2-CD2 4.38Å; Y217-W222 HydrophobicContact CE2-CE3 4.33Å; Y217-W222 HydrophobicContact CE2-CG 4.27Å; Y217-W222 HydrophobicContact CG-CE3 4.48Å; Y217-R224 PolarHBondContact OH-NH2 2.92Å
218	K	92.1	Very high	95.4	Very high	222 Å²	222	73.3 Å²	73.3	97%	0.965	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.8	173.6	-62.1	-59	-175.8	-174.9	0	113.2
219	A	91.3	Very high	95.4	Very high	81 Å²	81	68.2 Å²	68.2	67%	0.669	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.5	-178.7	0	0	0	0	0	114.1	Y217 W222	Y217-A219 PolarHBondContact O-N 3.27Å; Y217-A219 VanDerWaalsContact O-N 3.15Å; A219-W222 HydrophobicContact CB-CH2 3.59Å; A219-W222 HydrophobicContact CB-CZ3 3.97Å
220	G	93.8	Very high	95.3	Very high	28 Å²	28	61 Å²	61	29%	0.289	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.7	-158	-173.9	0	0	0	0	0	113.7	Y217 W222	Y217-G220 PolarHBondContact N-O 3.45Å; Y217-G220 PolarHBondContact O-N 3.16Å; Y217-G220 VanDerWaalsContact O-N 3.12Å; Y217-G220 VanDerWaalsContact O-O 3.08Å; G220-W222 VanDerWaalsContact C-CE3 3.45Å; G220-W222 VanDerWaalsContact O-CZ3 3.28Å; G220-W222 WeakPolarHBondContact O-CZ3 3.2Å
221	E	95.4	Very high	95.2	Very high	97 Å²	97	58.7 Å²	58.7	45%	0.453	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.9	-175.8	-56.1	-170.5	156.2	0	0	112.1	N179 T180 T214 E215 V216	N179-E221 WeakPolarHBondContact CA-O 3.42Å; N179-E221 WeakPolarHBondContact CB-O 3.45Å; T180-E221 HydrophobicContact CG2-CB 3.97Å; T180-E221 VanDerWaalsContact CG2-O 3.24Å; T180-E221 WeakPolarHBondContact CG2-O 3.26Å; T180-E221 PolarHBondContact N-O 2.95Å; T180-E221 PolarHBondContact OG1-O 3.42Å; T214-E221 HydrophobicContact CG2-CB 3.95Å; E215-E221 WeakPolarHBondContact O-CA 3.41Å; V216-E221 HydrophobicContact CG2-CG 4.15Å
222	W	96.1	Very high	95	Very high	25 Å²	25	58 Å²	58	10%	0.095	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.8	-179.8	-85.2	-109	0	0	0	111.2	E174 S175 Y178 N179 T214 E215 Y217 A219 G220	E174-W222 HydrophobicContact CG-CB 4.02Å; E174-W222 HydrophobicContact CG-CG 4.26Å; S175-W222 PolarHBondContact O-NE1 3.02Å; Y178-W222 VanDerWaalsContact O-CD1 3.28Å; Y178-W222 PolarHBondContact O-NE1 2.84Å; N179-W222 HydrophobicContact CB-CD2 4.3Å; N179-W222 HydrophobicContact CB-CE3 4.39Å; N179-W222 HydrophobicContact CB-CH2 4.06Å; N179-W222 HydrophobicContact CB-CZ2 3.98Å; N179-W222 HydrophobicContact CB-CZ3 4.31Å; T214-W222 CarbonylContact C-O 3.39Å; T214-W222 WeakPolarHBondContact CA-O 3.12Å; E215-W222 PolarHBondContact N-O 3Å; E215-W222 PolarHBondContact O-N 3.45Å; Y217-W222 HydrophobicContact CD2-CB 4.37Å; Y217-W222 HydrophobicContact CD2-CD2 4.08Å; Y217-W222 AromaticContact CD2-CE3 3.6Å; Y217-W222 HydrophobicContact CD2-CE3 3.6Å; Y217-W222 HydrophobicContact CD2-CG 4.4Å; Y217-W222 HydrophobicContact CD2-CZ3 4.24Å; Y217-W222 HydrophobicContact CE2-CB 4.06Å; Y217-W222 HydrophobicContact CE2-CD2 4.38Å; Y217-W222 HydrophobicContact CE2-CE3 4.33Å; Y217-W222 HydrophobicContact CE2-CG 4.27Å; Y217-W222 HydrophobicContact CG-CE3 4.48Å; A219-W222 HydrophobicContact CB-CH2 3.59Å; A219-W222 HydrophobicContact CB-CZ3 3.97Å; G220-W222 VanDerWaalsContact C-CE3 3.45Å; G220-W222 VanDerWaalsContact O-CZ3 3.28Å; G220-W222 WeakPolarHBondContact O-CZ3 3.2Å
223	Y	96.8	Very high	94.8	Very high	61 Å²	61	52 Å²	52	24%	0.239	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	125.3	167.4	-69	-61.3	0	0	0	109.7	T180	T180-Y223 HydrophobicContact CG2-CD1 4.13Å; T180-Y223 HydrophobicContact CG2-CD2 3.57Å; T180-Y223 HydrophobicContact CG2-CE1 4.09Å; T180-Y223 HydrophobicContact CG2-CE2 3.56Å; T180-Y223 HydrophobicContact CG2-CG 3.89Å
224	R	96.5	Very high	94.5	Very high	43 Å²	43	52.3 Å²	52.3	16%	0.162	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.3	-178.5	-179.1	174	-83.8	176.9	-10.3	110.5	V172 E174 R212 H213 E215 Y217	V172-R224 HydrophobicContact CG1-CG 3.34Å; E174-R224 IonicContact OE2-CZ 3.78Å; E174-R224 IonicContact OE2-NE 2.73Å; E174-R224 PolarHBondContact OE2-NE 3.06Å; E174-R224 IonicContact OE2-NH2 3.48Å; E174-R224 PolarHBondContact OE2-NH2 3.45Å; R212-R224 WeakPolarHBondContact CA-O 3.03Å; H213-R224 PolarHBondContact N-O 3.36Å; H213-R224 WeakPolarHBondContact NE2-CD 3.16Å; H213-R224 PolarHBondContact O-N 3.46Å; E215-R224 IonicContact OE2-CZ 3.98Å; E215-R224 IonicContact OE2-NH1 3.35Å; E215-R224 PolarHBondContact OE2-NH1 3.33Å; Y217-R224 PolarHBondContact OH-NH2 2.92Å
225	L	97.6	Very high	94.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.9	177.3	-62.9	-170.9	0	0	0	109.1	V56 V172 F173 V185 W187 R212	V56-L225 HydrophobicContact CB-CD1 3.76Å; V56-L225 HydrophobicContact CG1-CD1 4.28Å; V56-L225 HydrophobicContact CG2-CD1 4.03Å; V172-L225 CarbonylContact C-O 3.58Å; V172-L225 WeakPolarHBondContact CA-O 3.26Å; F173-L225 HydrophobicContact CB-CB 4.2Å; F173-L225 PolarHBondContact N-O 2.84Å; F173-L225 PolarHBondContact O-N 3.07Å; V185-L225 HydrophobicContact CG1-CD1 3.57Å; V185-L225 HydrophobicContact CG1-CG 4.02Å; W187-L225 HydrophobicContact CD2-CB 4.39Å; W187-L225 HydrophobicContact CD2-CD1 3.93Å; W187-L225 HydrophobicContact CD2-CD2 4.3Å; W187-L225 HydrophobicContact CD2-CG 4.45Å; W187-L225 HydrophobicContact CE3-CD1 4.11Å; W187-L225 HydrophobicContact CG-CD1 4.36Å; W187-L225 HydrophobicContact CG-CD2 4.11Å; W187-L225 HydrophobicContact CH2-CB 4.07Å; W187-L225 HydrophobicContact CH2-CD1 4.44Å; W187-L225 HydrophobicContact CZ2-CB 3.5Å; W187-L225 HydrophobicContact CZ2-CD1 4.34Å; W187-L225 HydrophobicContact CZ2-CG 4.41Å; W187-L225 HydrophobicContact CZ3-CD1 4.36Å; R212-L225 HydrophobicContact CB-CD2 3.8Å; R212-L225 HydrophobicContact CG-CD2 3.66Å
226	T	97.2	Very high	94.1	Very high	7 Å²	7	52.6 Å²	52.6	4%	0.043	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.1	-179.6	-61.2	0	0	0	0	110.6	Q170 L171 V172 T210 S211 H213	Q170-T226 HydrophobicContact CB-CG2 4.12Å; Q170-T226 HydrophobicContact CG-CG2 4.21Å; L171-T226 WeakPolarHBondContact O-CA 3.43Å; V172-T226 HydrophobicContact CG2-CG2 4.17Å; T210-T226 CarbonylContact C-O 3.44Å; T210-T226 WeakPolarHBondContact CA-O 3.37Å; S211-T226 PolarHBondContact N-O 3.25Å; S211-T226 PolarHBondContact O-N 2.92Å; H213-T226 PolarHBondContact CE1-OG1 3.23Å; H213-T226 VanDerWaalsContact CE1-OG1 3.29Å
227	V	96.5	Very high	93.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126	165.7	-174.6	0	0	0	0	107.8	Q170 L171 F173 W187 V192 R209 T210 F229	Q170-V227 CarbonylContact C-O 3.44Å; Q170-V227 WeakPolarHBondContact CA-O 3.24Å; L171-V227 PolarHBondContact N-O 2.81Å; L171-V227 PolarHBondContact O-N 2.7Å; F173-V227 HydrophobicContact CE2-CG2 4.18Å; W187-V227 HydrophobicContact CH2-CG2 3.29Å; W187-V227 HydrophobicContact CZ2-CG2 3.5Å; W187-V227 VanDerWaalsContact CZ2-CG2 3.5Å; W187-V227 HydrophobicContact CZ3-CG2 4.27Å; V192-V227 HydrophobicContact CG2-CB 4.39Å; V192-V227 HydrophobicContact CG2-CG1 3.73Å; V192-V227 HydrophobicContact CG2-CG2 3.69Å; R209-V227 CarbonylContact O-C 3.52Å; R209-V227 WeakPolarHBondContact O-CA 3.44Å; T210-V227 HydrophobicContact CG2-CG1 4.47Å; T210-V227 HydrophobicContact CG2-CG2 4.27Å; V227-F229 HydrophobicContact CB-CE2 4.34Å; V227-F229 HydrophobicContact CB-CZ 4.3Å; V227-F229 HydrophobicContact CG1-CD1 4.3Å; V227-F229 HydrophobicContact CG1-CD2 4.38Å; V227-F229 HydrophobicContact CG1-CE1 3.72Å; V227-F229 HydrophobicContact CG1-CE2 3.82Å; V227-F229 HydrophobicContact CG1-CZ 3.46Å; V227-F229 VanDerWaalsContact CG1-CZ 3.46Å
228	E	96.1	Very high	93.7	Very high	54 Å²	54	50.7 Å²	50.7	25%	0.252	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.5	173	-178.7	172.7	77.6	0	0	109	Y168 C169 Q170 Y208 R209	Y168-E228 HydrophobicContact CD1-CG 4.41Å; C169-E228 CarbonylContact O-C 3.52Å; C169-E228 WeakPolarHBondContact O-CA 3.47Å; Q170-E228 HydrophobicContact CG-CB 3.97Å; Q170-E228 HydrophobicContact CG-CG 3.99Å; Q170-E228 PolarHBondContact NE2-OE2 3.41Å; Y208-E228 CarbonylContact C-O 3.56Å; Y208-E228 WeakPolarHBondContact CA-O 3.14Å; Y208-E228 WeakPolarHBondContact CB-O 3.25Å; R209-E228 HydrophobicContact CB-CB 4.44Å; R209-E228 PolarHBondContact N-O 3.33Å; R209-E228 PolarHBondContact O-N 2.9Å
229	F	94.7	Very high	93.7	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.013	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.4	176.4	-60.7	-72.8	0	0	0	109.5	V60 F73 Y168 C169 L171 V192 L205 V227 F231	V60-F229 HydrophobicContact CG2-CE1 3.71Å; V60-F229 HydrophobicContact CG2-CZ 3.77Å; F73-F229 HydrophobicContact CE2-CD2 4.33Å; F73-F229 HydrophobicContact CE2-CE2 4.5Å; F73-F229 HydrophobicContact CZ-CD2 4.2Å; F73-F229 HydrophobicContact CZ-CE2 4.39Å; Y168-F229 WeakPolarHBondContact CA-O 3.45Å; C169-F229 PolarHBondContact N-O 3.28Å; C169-F229 PolarHBondContact O-N 3.49Å; L171-F229 HydrophobicContact CD1-CE2 3.88Å; L171-F229 HydrophobicContact CD1-CZ 4.44Å; L171-F229 HydrophobicContact CG-CE2 3.98Å; V192-F229 HydrophobicContact CG1-CE1 4.49Å; L205-F229 HydrophobicContact CD1-CB 4.03Å; L205-F229 HydrophobicContact CD1-CD1 3.97Å; L205-F229 HydrophobicContact CD1-CG 4.44Å; V227-F229 HydrophobicContact CB-CE2 4.34Å; V227-F229 HydrophobicContact CB-CZ 4.3Å; V227-F229 HydrophobicContact CG1-CD1 4.3Å; V227-F229 HydrophobicContact CG1-CD2 4.38Å; V227-F229 HydrophobicContact CG1-CE1 3.72Å; V227-F229 HydrophobicContact CG1-CE2 3.82Å; V227-F229 HydrophobicContact CG1-CZ 3.46Å; V227-F229 VanDerWaalsContact CG1-CZ 3.46Å; F229-F231 HydrophobicContact CB-CD2 4.19Å; F229-F231 HydrophobicContact CB-CE2 3.47Å; F229-F231 VanDerWaalsContact CB-CE2 3.47Å; F229-F231 HydrophobicContact CB-CZ 3.82Å; F229-F231 HydrophobicContact CG-CE2 4.4Å; F229-F231 HydrophobicContact CG-CZ 4.42Å
230	E	93.8	Very high	93.7	Very high	29 Å²	29	44.1 Å²	44.1	14%	0.136	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	114.3	175.3	-174.7	179.7	160.3	0	0	109.4	T166 Y168 S206 R207	T166-E230 HydrophobicContact CG2-CG 3.37Å; Y168-E230 HydrophobicContact CD1-CB 4.3Å; Y168-E230 HydrophobicContact CD1-CG 4.26Å; Y168-E230 HydrophobicContact CE1-CB 4.12Å; Y168-E230 HydrophobicContact CE1-CG 3.69Å; S206-E230 PolarHBondContact N-O 2.82Å; R207-E230 HydrophobicContact CB-CB 4.14Å; R207-E230 PolarHBondContact N-O 2.97Å; R207-E230 PolarHBondContact O-N 3.35Å
231	F	93	Very high	93.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.4	178.3	-64.4	-78.8	0	0	0	110.4	V63 L66 T166 Q167 C169 L200 F203 D204 L205 F229	V63-F231 HydrophobicContact CG1-CE1 4.02Å; V63-F231 HydrophobicContact CG1-CZ 4.04Å; V63-F231 HydrophobicContact CG2-CE1 4.26Å; V63-F231 HydrophobicContact CG2-CZ 4.36Å; L66-F231 HydrophobicContact CD1-CD1 4.32Å; L66-F231 HydrophobicContact CD1-CD2 3.7Å; L66-F231 HydrophobicContact CD1-CE1 4.3Å; L66-F231 HydrophobicContact CD1-CE2 3.66Å; L66-F231 HydrophobicContact CD1-CG 4.04Å; L66-F231 HydrophobicContact CD1-CZ 3.98Å; L66-F231 HydrophobicContact CD2-CB 4.12Å; L66-F231 HydrophobicContact CD2-CD2 4.19Å; L66-F231 HydrophobicContact CD2-CG 4.19Å; T166-F231 CarbonylContact C-O 3.41Å; T166-F231 WeakPolarHBondContact CA-O 3.31Å; Q167-F231 HydrophobicContact CB-CB 4.41Å; Q167-F231 PolarHBondContact N-O 3.4Å; Q167-F231 PolarHBondContact O-N 2.89Å; C169-F231 HydrophobicContact CB-CD2 4.41Å; C169-F231 HydrophobicContact CB-CE2 4.05Å; L200-F231 HydrophobicContact CD2-CE1 4.35Å; F203-F231 HydrophobicContact CB-CB 4.34Å; F203-F231 HydrophobicContact CD1-CB 4.1Å; F203-F231 HydrophobicContact CG-CB 4.48Å; D204-F231 WeakPolarHBondContact O-CA 3.46Å; L205-F231 HydrophobicContact CB-CD1 4.28Å; L205-F231 HydrophobicContact CB-CE1 4.09Å; L205-F231 HydrophobicContact CD1-CD1 4.24Å; L205-F231 HydrophobicContact CD1-CE1 3.88Å; L205-F231 HydrophobicContact CD1-CZ 4.19Å; F229-F231 HydrophobicContact CB-CD2 4.19Å; F229-F231 HydrophobicContact CB-CE2 3.47Å; F229-F231 VanDerWaalsContact CB-CE2 3.47Å; F229-F231 HydrophobicContact CB-CZ 3.82Å; F229-F231 HydrophobicContact CG-CE2 4.4Å; F229-F231 HydrophobicContact CG-CZ 4.42Å
232	T	91.8	Very high	93.3	Very high	36 Å²	36	44.1 Å²	44.1	22%	0.221	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.8	172.4	53.5	0	0	0	0	110.2	T166 F203 D204 S206	T166-T232 HydrophobicContact CG2-CG2 4.25Å; F203-T232 CarbonylContact C-O 3.54Å; F203-T232 VanDerWaalsContact CA-O 3.22Å; F203-T232 WeakPolarHBondContact CA-O 3.49Å; D204-T232 PolarHBondContact N-O 3.27Å; D204-T232 PolarHBondContact O-N 2.79Å; D204-T232 PolarHBondContact O-OG1 3.14Å; S206-T232 WeakPolarHBondContact OG-CB 3.47Å; S206-T232 WeakPolarHBondContact OG-CG2 3.4Å; S206-T232 PolarHBondContact OG-OG1 3.31Å
233	R	91.9	Very high	93.2	Very high	13 Å²	13	43 Å²	43	5%	0.049	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	139.8	-179.2	-171.5	179.4	-57.9	-82.9	-1	111.9	P163 D165 F203 Y235 Y238	P163-R233 WeakPolarHBondContact O-CD 3.45Å; D165-R233 PolarHBondContact O-N 2.98Å; D165-R233 WeakPolarHBondContact OD1-CD 3.33Å; D165-R233 IonicContact OD1-CZ 3.46Å; D165-R233 IonicContact OD1-NE 3.22Å; D165-R233 PolarHBondContact OD1-NE 2.64Å; D165-R233 IonicContact OD1-NH2 3.23Å; D165-R233 IonicContact OD2-CZ 3.89Å; D165-R233 IonicContact OD2-NE 3.73Å; D165-R233 PolarHBondContact OD2-NE 2.98Å; D165-R233 IonicContact OD2-NH2 2.75Å; D165-R233 PolarHBondContact OD2-NH2 3.09Å; F203-R233 HydrophobicContact CD1-CB 4.02Å; F203-R233 HydrophobicContact CD1-CG 4.47Å; F203-R233 HydrophobicContact CE1-CB 3.93Å; F203-R233 HydrophobicContact CE1-CG 4.24Å; F203-R233 VanDerWaalsContact CZ-NH2 3.28Å; R233-Y235 PolarHBondContact O-N 3.47Å; R233-Y238 HydrophobicContact CG-CE2 4.32Å
234	K	90.9	Very high	93	Very high	76 Å²	76	43 Å²	43	33%	0.33	21%	0.213	S	C	.	.			trans	-74.9	91.5	166.9	-71.5	177.6	178.5	159.5	0	110.4	L200 A201 D202 D204 G236	L200-K234 PolarHBondContact O-NZ 2.95Å; A201-K234 WeakPolarHBondContact O-CD 3.35Å; D202-K234 PolarHBondContact O-N 3.15Å; D204-K234 WeakPolarHBondContact OD1-CE 3.2Å; D204-K234 IonicContact OD1-NZ 3.04Å; D204-K234 PolarHBondContact OD1-NZ 3.34Å; D204-K234 WeakPolarHBondContact OD2-CE 3.44Å; D204-K234 IonicContact OD2-NZ 2.83Å; K234-G236 VanDerWaalsContact C-N 3.33Å; K234-G236 PolarHBondContact O-N 3.3Å
235	Y	90.2	Very high	92.9	Very high	103 Å²	103	42.5 Å²	42.5	40%	0.404	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11.8	-174.2	57.1	-94.2	0	0	0	114.9	I164 R233 F237 Y238 I239	I164-Y235 HydrophobicContact CG1-CG 4.49Å; R233-Y235 PolarHBondContact O-N 3.47Å; Y235-F237 VanDerWaalsContact C-N 3.31Å; Y235-F237 PolarHBondContact O-N 3.32Å; Y235-Y238 PolarHBondContact O-N 3.48Å; Y235-I239 HydrophobicContact CD2-CD1 4.38Å; Y235-I239 HydrophobicContact CD2-CG1 3.84Å; Y235-I239 PolarHBondContact O-N 2.9Å
236	G	89.9	Confident	92.7	Very high	40 Å²	40	42.5 Å²	42.5	41%	0.412	22%	0.215	S	C	.	.	H	α-helix	trans	-56.3	-39.5	-172.7	0	0	0	0	0	114.6	K234 Y238 I239 L240	K234-G236 VanDerWaalsContact C-N 3.33Å; K234-G236 PolarHBondContact O-N 3.3Å; G236-Y238 PolarHBondContact O-N 3.43Å; G236-I239 PolarHBondContact O-N 2.99Å; G236-L240 PolarHBondContact O-N 2.91Å
237	F	90.4	Very high	92.6	Very high	113 Å²	113	44.8 Å²	44.8	50%	0.496	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-45.2	174.1	171.9	-91.9	0	0	0	112.2	Y235 L240 Q241	Y235-F237 VanDerWaalsContact C-N 3.31Å; Y235-F237 PolarHBondContact O-N 3.32Å; F237-L240 PolarHBondContact O-N 3.35Å; F237-Q241 HydrophobicContact CD2-CG 4.22Å; F237-Q241 HydrophobicContact CE2-CG 4.01Å; F237-Q241 VanDerWaalsContact CE2-OE1 3.31Å; F237-Q241 HydrophobicContact CZ-CG 4.18Å; F237-Q241 WeakPolarHBondContact O-CB 3.42Å; F237-Q241 PolarHBondContact O-N 2.87Å
238	Y	91.4	Very high	92.4	Very high	33 Å²	33	49.1 Å²	49.1	13%	0.129	25%	0.246	C	C	.	.	H	α-helix	trans	-69.2	-34.3	-179.8	-59	-80.3	0	0	0	111.9	F162 P163 R233 Y235 G236 L240 L242 Y243	F162-Y238 HydrophobicContact CE1-CD1 4.32Å; F162-Y238 HydrophobicContact CE1-CE1 4.39Å; F162-Y238 HydrophobicContact CE2-CE1 4.01Å; F162-Y238 HydrophobicContact CE2-CE2 4.42Å; F162-Y238 AromaticContact CE2-CZ 3.91Å; F162-Y238 AromaticContact CZ-CD1 3.7Å; F162-Y238 HydrophobicContact CZ-CD1 3.7Å; F162-Y238 AromaticContact CZ-CE1 3.39Å; F162-Y238 HydrophobicContact CZ-CE1 3.39Å; F162-Y238 HydrophobicContact CZ-CE2 4.47Å; F162-Y238 HydrophobicContact CZ-CG 4.36Å; F162-Y238 AromaticContact CZ-CZ 3.79Å; P163-Y238 HydrophobicContact CB-CD1 4.46Å; P163-Y238 HydrophobicContact CB-CD2 3.73Å; P163-Y238 HydrophobicContact CB-CE2 4.38Å; P163-Y238 HydrophobicContact CB-CG 3.74Å; P163-Y238 HydrophobicContact CG-CG 4.29Å; R233-Y238 HydrophobicContact CG-CE2 4.32Å; Y235-Y238 PolarHBondContact O-N 3.48Å; G236-Y238 PolarHBondContact O-N 3.43Å; Y238-L240 VanDerWaalsContact C-N 3.35Å; Y238-L240 PolarHBondContact O-N 3.47Å; Y238-L242 WeakPolarHBondContact O-CA 3.33Å; Y238-L242 WeakPolarHBondContact O-CB 3.46Å; Y238-L242 PolarHBondContact O-N 3.22Å; Y238-Y243 PolarHBondContact O-N 2.97Å
239	I	91.9	Very high	92.3	Very high	44 Å²	44	46.9 Å²	46.9	23%	0.226	24%	0.236	C	C	.	.	I	π-helix	trans	-59.6	-47.8	173.2	-59	-57	0	0	0	110.8	Y235 G236 Y243 V244 W437	Y235-I239 HydrophobicContact CD2-CD1 4.38Å; Y235-I239 HydrophobicContact CD2-CG1 3.84Å; Y235-I239 PolarHBondContact O-N 2.9Å; G236-I239 PolarHBondContact O-N 2.99Å; I239-Y243 HydrophobicContact CD1-CD2 3.7Å; I239-Y243 HydrophobicContact CD1-CE2 3.93Å; I239-Y243 HydrophobicContact CD1-CG 4.36Å; I239-Y243 WeakPolarHBondContact O-CB 3.32Å; I239-Y243 PolarHBondContact O-N 3.02Å; I239-V244 PolarHBondContact O-N 3.4Å; I239-W437 HydrophobicContact CD1-CH2 3.54Å; I239-W437 HydrophobicContact CD1-CZ3 3.99Å
240	L	91.4	Very high	92.3	Very high	121 Å²	121	46.8 Å²	46.8	63%	0.634	24%	0.236	S	C	*	.	I	π-helix	trans	-76.3	-39	-175.5	-67.1	176.4	0	0	0	113.8	G236 F237 Y238 V244 P245	G236-L240 PolarHBondContact O-N 2.91Å; F237-L240 PolarHBondContact O-N 3.35Å; Y238-L240 VanDerWaalsContact C-N 3.35Å; Y238-L240 PolarHBondContact O-N 3.47Å; L240-V244 HydrophobicContact CD2-CG2 4.45Å; L240-P245 WeakPolarHBondContact O-CD 3.44Å
241	Q	90	Very high	92.2	Very high	122 Å²	122	50.5 Å²	50.5	57%	0.57	25%	0.251	S	S	*	.	I	π-helix	trans	-91.9	-21.3	-174.8	-64.3	-155.8	5.1	0	0	114.3	F237 P245	F237-Q241 HydrophobicContact CD2-CG 4.22Å; F237-Q241 HydrophobicContact CE2-CG 4.01Å; F237-Q241 VanDerWaalsContact CE2-OE1 3.31Å; F237-Q241 HydrophobicContact CZ-CG 4.18Å; F237-Q241 WeakPolarHBondContact O-CB 3.42Å; F237-Q241 PolarHBondContact O-N 2.87Å; Q241-P245 WeakPolarHBondContact O-CG 3.43Å
242	L	90.7	Very high	92.2	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.016	27%	0.265	C	S	.	.	I	π-helix	trans	-111.5	-60.3	-178.7	156.1	60	0	0	0	110.9	Y238 P245 T246 I285 I298 M302	Y238-L242 WeakPolarHBondContact O-CA 3.33Å; Y238-L242 WeakPolarHBondContact O-CB 3.46Å; Y238-L242 PolarHBondContact O-N 3.22Å; L242-P245 WeakPolarHBondContact O-CD 3.47Å; L242-T246 HydrophobicContact CD1-CG2 4.04Å; L242-T246 WeakPolarHBondContact O-CG2 3.26Å; L242-T246 PolarHBondContact O-N 3.06Å; L242-T246 PolarHBondContact O-OG1 3.48Å; L242-I285 HydrophobicContact CB-CD1 3.61Å; L242-I285 HydrophobicContact CD1-CD1 3.11Å; L242-I285 HydrophobicContact CD2-CD1 3.69Å; L242-I285 HydrophobicContact CD2-CG2 4.47Å; L242-I285 HydrophobicContact CG-CD1 3.59Å; L242-I298 HydrophobicContact CD1-CD1 3.83Å; L242-I298 HydrophobicContact CD2-CD1 3.27Å; L242-I298 HydrophobicContact CD2-CG1 3.78Å; L242-I298 HydrophobicContact CG-CD1 3.88Å; L242-M302 HydrophobicContact CD1-CE 4.14Å
243	Y	93.7	Very high	92.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.008	26%	0.255	C	S	.	.	I	π-helix	trans	-65.5	-49.4	-173.6	-72.6	-91.5	0	0	0	111.8	P163 Y238 I239 T246 Y247 W301 Y436 W437	P163-Y243 HydrophobicContact CG-CE2 4.12Å; Y238-Y243 PolarHBondContact O-N 2.97Å; I239-Y243 HydrophobicContact CD1-CD2 3.7Å; I239-Y243 HydrophobicContact CD1-CE2 3.93Å; I239-Y243 HydrophobicContact CD1-CG 4.36Å; I239-Y243 WeakPolarHBondContact O-CB 3.32Å; I239-Y243 PolarHBondContact O-N 3.02Å; Y243-T246 PolarHBondContact O-N 3.47Å; Y243-T246 VanDerWaalsContact O-N 3.15Å; Y243-T246 PolarHBondContact O-OG1 3.22Å; Y243-Y247 WeakPolarHBondContact O-CD2 3.21Å; Y243-Y247 PolarHBondContact O-N 3.35Å; Y243-W301 AromaticContact CD1-CD2 3.84Å; Y243-W301 HydrophobicContact CD1-CD2 3.84Å; Y243-W301 AromaticContact CD1-CE2 3.54Å; Y243-W301 HydrophobicContact CD1-CE3 4.29Å; Y243-W301 HydrophobicContact CD1-CG 4.31Å; Y243-W301 HydrophobicContact CD1-CH2 4.27Å; Y243-W301 AromaticContact CD1-CZ2 3.79Å; Y243-W301 HydrophobicContact CD1-CZ2 3.79Å; Y243-W301 HydrophobicContact CD1-CZ3 4.49Å; Y243-W301 AromaticContact CD1-NE1 3.79Å; Y243-W301 AromaticContact CE1-CD2 3.61Å; Y243-W301 HydrophobicContact CE1-CD2 3.61Å; Y243-W301 AromaticContact CE1-CE2 3.84Å; Y243-W301 AromaticContact CE1-CE3 3.95Å; Y243-W301 HydrophobicContact CE1-CE3 3.95Å; Y243-W301 AromaticContact CE1-CG 3.84Å; Y243-W301 HydrophobicContact CE1-CG 3.84Å; Y243-W301 HydrophobicContact CE1-CZ2 4.4Å; Y243-W301 HydrophobicContact CE1-CZ3 4.49Å; Y243-Y436 AromaticContact CE1-CE1 3.85Å; Y243-Y436 HydrophobicContact CE1-CE1 3.85Å; Y243-Y436 PolarHBondContact OH-OH 3.43Å; Y243-W437 AromaticContact CD1-CH2 3.82Å; Y243-W437 HydrophobicContact CD1-CH2 3.82Å; Y243-W437 AromaticContact CD1-CZ2 3.53Å; Y243-W437 HydrophobicContact CD1-CZ2 3.53Å; Y243-W437 HydrophobicContact CD2-CH2 4.25Å; Y243-W437 AromaticContact CE1-CH2 3.66Å; Y243-W437 HydrophobicContact CE1-CH2 3.66Å; Y243-W437 AromaticContact CE1-CZ2 3.62Å; Y243-W437 HydrophobicContact CE1-CZ2 3.62Å; Y243-W437 HydrophobicContact CE2-CH2 4.09Å; Y243-W437 HydrophobicContact CG-CH2 4.1Å; Y243-W437 HydrophobicContact CG-CZ2 4.09Å; Y243-W437 AromaticContact CZ-CH2 3.79Å
244	V	93.7	Very high	92.3	Very high	60 Å²	60	51.4 Å²	51.4	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-56.9	-48.2	-178.6	171.3	0	0	0	0	113.1	I239 L240 T246 Y247 I248	I239-V244 PolarHBondContact O-N 3.4Å; L240-V244 HydrophobicContact CD2-CG2 4.45Å; V244-T246 VanDerWaalsContact C-N 3.34Å; V244-T246 PolarHBondContact O-N 3.25Å; V244-Y247 WeakPolarHBondContact O-CB 3.4Å; V244-Y247 PolarHBondContact O-N 2.98Å; V244-I248 HydrophobicContact CG1-CD1 3.97Å; V244-I248 WeakPolarHBondContact O-CG1 3.03Å; V244-I248 PolarHBondContact O-N 3.23Å
245	P	93.4	Very high	92.3	Very high	33 Å²	33	52.1 Å²	52.1	21%	0.214	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-31.9	176.4	-28.7	39.5	0	0	0	114.6	L240 Q241 L242 I248 S249	L240-P245 WeakPolarHBondContact O-CD 3.44Å; Q241-P245 WeakPolarHBondContact O-CG 3.43Å; L242-P245 WeakPolarHBondContact O-CD 3.47Å; P245-I248 PolarHBondContact O-N 3.14Å; P245-S249 WeakPolarHBondContact O-CB 3.21Å; P245-S249 PolarHBondContact O-N 3.48Å; P245-S249 PolarHBondContact O-OG 3.19Å
246	T	94	Very high	92.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.2	-39.8	174	61.4	0	0	0	0	112	L242 Y243 V244 S249 L250 L278 W301 M302	L242-T246 HydrophobicContact CD1-CG2 4.04Å; L242-T246 WeakPolarHBondContact O-CG2 3.26Å; L242-T246 PolarHBondContact O-N 3.06Å; L242-T246 PolarHBondContact O-OG1 3.48Å; Y243-T246 PolarHBondContact O-N 3.47Å; Y243-T246 VanDerWaalsContact O-N 3.15Å; Y243-T246 PolarHBondContact O-OG1 3.22Å; V244-T246 VanDerWaalsContact C-N 3.34Å; V244-T246 PolarHBondContact O-N 3.25Å; T246-S249 PolarHBondContact O-N 3.23Å; T246-L250 PolarHBondContact O-N 2.86Å; T246-L278 HydrophobicContact CG2-CD1 3.41Å; T246-L278 VanDerWaalsContact CG2-CD1 3.41Å; T246-W301 PolarHBondContact OG1-NE1 3.21Å; T246-M302 HydrophobicContact CG2-CE 3.98Å
247	Y	94.5	Very high	92.2	Very high	56 Å²	56	46.3 Å²	46.3	22%	0.22	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-49.3	171.7	-77.3	-70.2	0	0	0	111.5	Y243 V244 S249 L250 F251 W301 F429 N433 W437	Y243-Y247 WeakPolarHBondContact O-CD2 3.21Å; Y243-Y247 PolarHBondContact O-N 3.35Å; V244-Y247 WeakPolarHBondContact O-CB 3.4Å; V244-Y247 PolarHBondContact O-N 2.98Å; Y247-S249 VanDerWaalsContact C-N 3.3Å; Y247-S249 PolarHBondContact O-N 3.42Å; Y247-L250 WeakPolarHBondContact O-CB 3.28Å; Y247-L250 PolarHBondContact O-N 2.93Å; Y247-L250 VanDerWaalsContact O-N 3.14Å; Y247-F251 HydrophobicContact CD1-CE2 4.41Å; Y247-F251 WeakPolarHBondContact O-CD2 3.45Å; Y247-F251 PolarHBondContact O-N 3.35Å; Y247-W301 HydrophobicContact CD1-CH2 4.46Å; Y247-W301 HydrophobicContact CD1-CZ2 4.46Å; Y247-W301 HydrophobicContact CD2-CZ2 4.42Å; Y247-W301 AromaticContact CE1-CH2 3.65Å; Y247-W301 HydrophobicContact CE1-CH2 3.65Å; Y247-W301 HydrophobicContact CE1-CZ2 4.05Å; Y247-W301 HydrophobicContact CE2-CH2 4.02Å; Y247-W301 AromaticContact CE2-CZ2 3.99Å; Y247-W301 HydrophobicContact CE2-CZ2 3.99Å; Y247-W301 AromaticContact CZ-CH2 3.4Å; Y247-W301 VanDerWaalsContact CZ-CH2 3.4Å; Y247-W301 AromaticContact CZ-CZ2 3.81Å; Y247-W301 WeakPolarHBondContact OH-CH2 3.12Å; Y247-F429 AromaticContact CD1-CE1 3.62Å; Y247-F429 HydrophobicContact CD1-CE1 3.62Å; Y247-F429 AromaticContact CD1-CZ 3.96Å; Y247-F429 HydrophobicContact CD1-CZ 3.96Å; Y247-F429 AromaticContact CE1-CE1 3.52Å; Y247-F429 HydrophobicContact CE1-CE1 3.52Å; Y247-F429 AromaticContact CE1-CZ 3.79Å; Y247-F429 HydrophobicContact CE1-CZ 3.79Å; Y247-N433 PolarHBondContact OH-OD1 3.02Å; Y247-W437 PolarHBondContact OH-NE1 3.18Å
248	I	93.6	Very high	92	Very high	91 Å²	91	44.9 Å²	44.9	47%	0.467	23%	0.231	S	C	.	.	H	α-helix	trans	-58.4	-44.6	179.2	-66.2	167.4	0	0	0	110.6	V244 P245 L250 F251 I252	V244-I248 HydrophobicContact CG1-CD1 3.97Å; V244-I248 WeakPolarHBondContact O-CG1 3.03Å; V244-I248 PolarHBondContact O-N 3.23Å; P245-I248 PolarHBondContact O-N 3.14Å; I248-L250 VanDerWaalsContact C-N 3.32Å; I248-L250 PolarHBondContact O-N 3.02Å; I248-F251 PolarHBondContact O-N 2.85Å; I248-I252 HydrophobicContact CG2-CD1 3.83Å; I248-I252 HydrophobicContact CG2-CG1 4.4Å; I248-I252 VanDerWaalsContact O-CG1 3.28Å; I248-I252 WeakPolarHBondContact O-CG1 3.07Å; I248-I252 PolarHBondContact O-N 3.46Å
249	S	93.3	Very high	91.8	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.049	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-38.6	178	-57.3	0	0	0	0	112	P245 T246 Y247 S253 S274 S277	P245-S249 WeakPolarHBondContact O-CB 3.21Å; P245-S249 PolarHBondContact O-N 3.48Å; P245-S249 PolarHBondContact O-OG 3.19Å; T246-S249 PolarHBondContact O-N 3.23Å; Y247-S249 VanDerWaalsContact C-N 3.3Å; Y247-S249 PolarHBondContact O-N 3.42Å; S249-S253 PolarHBondContact O-N 3.42Å; S249-S274 WeakPolarHBondContact O-CB 3.27Å; S249-S274 PolarHBondContact O-OG 2.65Å; S249-S277 PolarHBondContact OG-OG 2.75Å
250	L	94.1	Very high	91.4	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-47	173.6	-80.7	169.5	0	0	0	112.1	T246 Y247 I248 I252 S253 W254 C305 F308 I309 F429	T246-L250 PolarHBondContact O-N 2.86Å; Y247-L250 WeakPolarHBondContact O-CB 3.28Å; Y247-L250 PolarHBondContact O-N 2.93Å; Y247-L250 VanDerWaalsContact O-N 3.14Å; I248-L250 VanDerWaalsContact C-N 3.32Å; I248-L250 PolarHBondContact O-N 3.02Å; L250-I252 VanDerWaalsContact C-N 3.32Å; L250-I252 PolarHBondContact O-N 3.03Å; L250-S253 WeakPolarHBondContact O-CB 3.39Å; L250-S253 PolarHBondContact O-N 3.12Å; L250-S253 VanDerWaalsContact O-N 3.11Å; L250-S253 PolarHBondContact O-OG 3.42Å; L250-W254 PolarHBondContact O-N 3.48Å; L250-C305 HydrophobicContact CD1-CB 4.11Å; L250-C305 HydrophobicContact CD2-CB 4.48Å; L250-C305 HydrophobicContact CG-CB 4.44Å; L250-F308 HydrophobicContact CD2-CB 3.85Å; L250-I309 HydrophobicContact CD2-CD1 4.27Å; L250-I309 HydrophobicContact CD2-CG1 3.64Å; L250-F429 HydrophobicContact CD1-CD2 4.2Å; L250-F429 HydrophobicContact CD1-CE1 3.86Å; L250-F429 HydrophobicContact CD1-CE2 3.46Å; L250-F429 VanDerWaalsContact CD1-CE2 3.46Å; L250-F429 HydrophobicContact CD1-CZ 3.25Å
251	F	92.9	Very high	90.8	Very high	106 Å²	106	44.6 Å²	44.6	47%	0.465	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-39.1	178.1	-71.6	-63.6	0	0	0	112.4	Y247 I248 S253 W254 I255	Y247-F251 HydrophobicContact CD1-CE2 4.41Å; Y247-F251 WeakPolarHBondContact O-CD2 3.45Å; Y247-F251 PolarHBondContact O-N 3.35Å; I248-F251 PolarHBondContact O-N 2.85Å; F251-S253 VanDerWaalsContact C-N 3.28Å; F251-S253 PolarHBondContact O-N 3.03Å; F251-W254 AromaticContact CD1-CE3 3.66Å; F251-W254 HydrophobicContact CD1-CE3 3.66Å; F251-W254 AromaticContact CD1-CZ3 3.73Å; F251-W254 HydrophobicContact CD1-CZ3 3.73Å; F251-W254 AromaticContact CE1-CE3 3.97Å; F251-W254 HydrophobicContact CE1-CE3 3.97Å; F251-W254 AromaticContact CE1-CZ3 3.56Å; F251-W254 HydrophobicContact CE1-CZ3 3.56Å; F251-W254 HydrophobicContact CZ-CZ3 4.47Å; F251-W254 PolarHBondContact O-N 2.96Å; F251-W254 VanDerWaalsContact O-N 3.09Å; F251-I255 WeakPolarHBondContact O-CG1 3.45Å; F251-I255 PolarHBondContact O-N 2.98Å
252	I	93.1	Very high	90.3	Very high	57 Å²	57	46.3 Å²	46.3	29%	0.292	24%	0.239	S	C	.	.	H	α-helix	trans	-59.9	-40.6	174.5	-67.8	167	0	0	0	111	I248 L250 W254 I255 L270 S274	I248-I252 HydrophobicContact CG2-CD1 3.83Å; I248-I252 HydrophobicContact CG2-CG1 4.4Å; I248-I252 VanDerWaalsContact O-CG1 3.28Å; I248-I252 WeakPolarHBondContact O-CG1 3.07Å; I248-I252 PolarHBondContact O-N 3.46Å; L250-I252 VanDerWaalsContact C-N 3.32Å; L250-I252 PolarHBondContact O-N 3.03Å; I252-W254 VanDerWaalsContact C-N 3.26Å; I252-W254 PolarHBondContact O-N 2.92Å; I252-I255 PolarHBondContact O-N 3.07Å; I252-L270 HydrophobicContact CG2-CD2 4Å; I252-S274 WeakPolarHBondContact CG2-OG 3.46Å
253	S	92.7	Very high	90.1	Very high	1 Å²	1	48 Å²	48	1%	0.007	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-35.3	175.8	80.5	0	0	0	0	112.4	S249 L250 F251 A256	S249-S253 PolarHBondContact O-N 3.42Å; L250-S253 WeakPolarHBondContact O-CB 3.39Å; L250-S253 PolarHBondContact O-N 3.12Å; L250-S253 VanDerWaalsContact O-N 3.11Å; L250-S253 PolarHBondContact O-OG 3.42Å; F251-S253 VanDerWaalsContact C-N 3.28Å; F251-S253 PolarHBondContact O-N 3.03Å; S253-A256 VanDerWaalsContact O-CB 3.27Å; S253-A256 WeakPolarHBondContact O-CB 2.97Å; S253-A256 PolarHBondContact O-N 3.45Å
254	W	92	Very high	89.8	Confident	10 Å²	10	50.9 Å²	50.9	4%	0.038	27%	0.268	C	S	.	.	H	α-helix	trans	-80.5	-25	179.1	-60.1	-14.6	0	0	0	113.9	L250 F251 I252 A256 F257 F425 P426 F429	L250-W254 PolarHBondContact O-N 3.48Å; F251-W254 AromaticContact CD1-CE3 3.66Å; F251-W254 HydrophobicContact CD1-CE3 3.66Å; F251-W254 AromaticContact CD1-CZ3 3.73Å; F251-W254 HydrophobicContact CD1-CZ3 3.73Å; F251-W254 AromaticContact CE1-CE3 3.97Å; F251-W254 HydrophobicContact CE1-CE3 3.97Å; F251-W254 AromaticContact CE1-CZ3 3.56Å; F251-W254 HydrophobicContact CE1-CZ3 3.56Å; F251-W254 HydrophobicContact CZ-CZ3 4.47Å; F251-W254 PolarHBondContact O-N 2.96Å; F251-W254 VanDerWaalsContact O-N 3.09Å; I252-W254 VanDerWaalsContact C-N 3.26Å; I252-W254 PolarHBondContact O-N 2.92Å; W254-A256 PolarHBondContact O-N 3.02Å; W254-F257 HydrophobicContact CB-CD2 3.99Å; W254-F257 HydrophobicContact CB-CE2 4.03Å; W254-F257 AromaticContact CD1-CE2 3.63Å; W254-F257 HydrophobicContact CG-CD2 4.44Å; W254-F257 HydrophobicContact CG-CE2 4.01Å; W254-F257 VanDerWaalsContact O-CB 3.31Å; W254-F257 WeakPolarHBondContact O-CB 3.33Å; W254-F257 VanDerWaalsContact O-CD2 3.25Å; W254-F257 WeakPolarHBondContact O-CD2 3.47Å; W254-F257 WeakPolarHBondContact O-CG 3.38Å; W254-F257 PolarHBondContact O-N 3.25Å; W254-F425 HydrophobicContact CZ2-CB 4.34Å; W254-F425 AromaticContact NE1-CD1 3.92Å; W254-P426 HydrophobicContact CD2-CG 4.23Å; W254-P426 HydrophobicContact CE3-CB 4.15Å; W254-P426 HydrophobicContact CE3-CG 3.61Å; W254-P426 HydrophobicContact CH2-CB 4.14Å; W254-P426 HydrophobicContact CH2-CG 4.3Å; W254-P426 HydrophobicContact CZ3-CB 3.65Å; W254-P426 HydrophobicContact CZ3-CG 3.65Å; W254-F429 HydrophobicContact CH2-CB 3.65Å; W254-F429 AromaticContact CH2-CD1 3.64Å; W254-F429 HydrophobicContact CH2-CD1 3.64Å; W254-F429 AromaticContact CH2-CG 3.86Å; W254-F429 HydrophobicContact CH2-CG 3.86Å; W254-F429 HydrophobicContact CZ2-CB 3.86Å; W254-F429 HydrophobicContact CZ2-CD1 4.3Å; W254-F429 HydrophobicContact CZ2-CG 4.13Å
255	I	90.8	Very high	89.7	Confident	91 Å²	91	52.6 Å²	52.6	47%	0.467	28%	0.28	S	S	.	.	H	α-helix	trans	-58.4	-27.2	171.4	-70.2	169.5	0	0	0	110.7	F251 I252 F257 C258 I259	F251-I255 WeakPolarHBondContact O-CG1 3.45Å; F251-I255 PolarHBondContact O-N 2.98Å; I252-I255 PolarHBondContact O-N 3.07Å; I255-F257 PolarHBondContact O-N 3.36Å; I255-C258 WeakPolarHBondContact O-CB 3.31Å; I255-C258 PolarHBondContact O-N 3.24Å; I255-I259 PolarHBondContact O-N 3.45Å
256	A	89	Confident	89.6	Confident	8 Å²	8	53.1 Å²	53.1	7%	0.066	29%	0.288	C	S	.	.	H	α-helix	trans	-58.3	-27.9	174.1	0	0	0	0	0	113.2	S253 W254 C258 R267 L270	S253-A256 VanDerWaalsContact O-CB 3.27Å; S253-A256 WeakPolarHBondContact O-CB 2.97Å; S253-A256 PolarHBondContact O-N 3.45Å; W254-A256 PolarHBondContact O-N 3.02Å; A256-C258 VanDerWaalsContact C-N 3.32Å; A256-R267 HydrophobicContact CB-CB 4.27Å; A256-R267 HydrophobicContact CB-CG 4.45Å; A256-R267 WeakPolarHBondContact O-CD 2.83Å; A256-R267 WeakPolarHBondContact O-CG 3.31Å; A256-R267 PolarHBondContact O-NE 3.35Å; A256-L270 HydrophobicContact CB-CB 4.41Å; A256-L270 HydrophobicContact CB-CD1 4.39Å
257	F	89.7	Confident	89.5	Confident	14 Å²	14	53.4 Å²	53.4	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-71.2	-26.7	175.2	-52	-41.9	0	0	0	112.6	W254 I255 E315 F425	W254-F257 HydrophobicContact CB-CD2 3.99Å; W254-F257 HydrophobicContact CB-CE2 4.03Å; W254-F257 AromaticContact CD1-CE2 3.63Å; W254-F257 HydrophobicContact CG-CD2 4.44Å; W254-F257 HydrophobicContact CG-CE2 4.01Å; W254-F257 VanDerWaalsContact O-CB 3.31Å; W254-F257 WeakPolarHBondContact O-CB 3.33Å; W254-F257 VanDerWaalsContact O-CD2 3.25Å; W254-F257 WeakPolarHBondContact O-CD2 3.47Å; W254-F257 WeakPolarHBondContact O-CG 3.38Å; W254-F257 PolarHBondContact O-N 3.25Å; I255-F257 PolarHBondContact O-N 3.36Å; F257-E315 HydrophobicContact CE1-CG 4.4Å; F257-E315 WeakPolarHBondContact CE1-OE2 3.14Å; F257-F425 HydrophobicContact CE2-CB 4.39Å; F257-F425 HydrophobicContact CE2-CD1 4.41Å; F257-F425 HydrophobicContact CE2-CD2 4.45Å; F257-F425 HydrophobicContact CE2-CG 4.2Å; F257-F425 HydrophobicContact CZ-CD1 4.33Å; F257-F425 HydrophobicContact CZ-CE1 4.33Å; F257-F425 HydrophobicContact CZ-CG 4.41Å; F257-F425 HydrophobicContact CZ-CZ 4.42Å
258	C	86.7	Confident	89.4	Confident	82 Å²	82	54.2 Å²	54.2	55%	0.554	30%	0.296	S	S	*	.	H	α-helix	trans	-80.9	-21.4	178.8	-58.3	0	0	0	0	113.3	I255 A256 F422	I255-C258 WeakPolarHBondContact O-CB 3.31Å; I255-C258 PolarHBondContact O-N 3.24Å; A256-C258 VanDerWaalsContact C-N 3.32Å; C258-F422 VanDerWaalsContact SG-CD2 3.59Å; C258-F422 WeakPolarHBondContact SG-CE2 3.32Å
259	I	87.2	Confident	89.5	Confident	49 Å²	49	54.4 Å²	54.4	25%	0.251	30%	0.301	S	S	.	.	S	Bend	trans	-75.5	139.3	-179.8	-66.4	175.7	0	0	0	108.8	I255 A263 R267 L270	I255-I259 PolarHBondContact O-N 3.45Å; I259-A263 HydrophobicContact CG2-CB 3.91Å; I259-R267 HydrophobicContact CB-CG 4.26Å; I259-R267 HydrophobicContact CG2-CG 4.22Å; I259-R267 PolarHBondContact O-NE 3.49Å; I259-R267 PolarHBondContact O-NH2 2.93Å; I259-L270 HydrophobicContact CD1-CD1 3.4Å; I259-L270 VanDerWaalsContact CD1-CD1 3.4Å
260	D	83	Confident	89.5	Confident	122 Å²	122	56.3 Å²	56.3	65%	0.652	31%	0.311	S	S	*	.			trans	-51.9	142.7	178	-71.9	-30.1	0	0	0	114.3	K262 A263 R267	D260-K262 PolarHBondContact O-N 3Å; D260-A263 PolarHBondContact O-N 3.23Å; D260-R267 PolarHBondContact O-NE 3.49Å
261	T	79.6	Confident	89.4	Confident	22 Å²	22	56.4 Å²	56.4	14%	0.135	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.1	-179.8	53	0	0	0	0	113.9	A263 R267 V319 D418	T261-A263 VanDerWaalsContact C-N 3.32Å; T261-A263 PolarHBondContact O-N 2.83Å; T261-R267 VanDerWaalsContact CA-NH2 3.31Å; T261-V319 HydrophobicContact CG2-CG1 4.26Å; T261-D418 VanDerWaalsContact CG2-OD2 3.28Å; T261-D418 WeakPolarHBondContact CG2-OD2 3.47Å
262	K	79	Confident	89.6	Confident	158 Å²	158	55 Å²	55	69%	0.687	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-27.8	177.3	-61.9	175	-172.9	163.6	0	112.8	D260 L264 L411	D260-K262 PolarHBondContact O-N 3Å; K262-L264 VanDerWaalsContact C-N 3.3Å; K262-L264 PolarHBondContact O-N 3.47Å; K262-L411 HydrophobicContact CG-CD2 4.31Å
263	A	86.6	Confident	89.7	Confident	37 Å²	37	57 Å²	57	31%	0.306	32%	0.323	S	S	.	.			trans	-93.5	50.9	-176.5	0	0	0	0	0	111.9	I259 D260 T261 P265 A266 R267	I259-A263 HydrophobicContact CG2-CB 3.91Å; D260-A263 PolarHBondContact O-N 3.23Å; T261-A263 VanDerWaalsContact C-N 3.32Å; T261-A263 PolarHBondContact O-N 2.83Å; A263-P265 VanDerWaalsContact C-CD 3.43Å; A263-P265 VanDerWaalsContact C-N 3.34Å; A263-A266 HydrophobicContact CB-CB 4.23Å; A263-A266 WeakPolarHBondContact O-CB 3.4Å; A263-A266 PolarHBondContact O-N 3.45Å; A263-R267 PolarHBondContact O-N 3.07Å
264	L	87.2	Confident	89.8	Confident	64 Å²	64	57 Å²	57	34%	0.335	32%	0.323	S	S	.	.	H	α-helix	trans	-50.5	-43.3	-179	-179.3	64.3	0	0	0	113.9	K262 A266 R267 I268 L316 A320	K262-L264 VanDerWaalsContact C-N 3.3Å; K262-L264 PolarHBondContact O-N 3.47Å; L264-A266 VanDerWaalsContact C-N 3.32Å; L264-A266 PolarHBondContact O-N 3.39Å; L264-R267 PolarHBondContact O-N 2.86Å; L264-I268 HydrophobicContact CD1-CD1 4.07Å; L264-I268 HydrophobicContact CD1-CG1 4.18Å; L264-I268 HydrophobicContact CD2-CD1 4.49Å; L264-I268 HydrophobicContact CG-CD1 3.9Å; L264-I268 HydrophobicContact CG-CG1 4.41Å; L264-I268 WeakPolarHBondContact O-CG1 3.49Å; L264-I268 PolarHBondContact O-N 2.83Å; L264-I268 VanDerWaalsContact O-N 3.07Å; L264-L316 HydrophobicContact CD1-CD1 3.77Å; L264-L316 HydrophobicContact CD1-CG 4.13Å; L264-A320 HydrophobicContact CD1-CB 3.98Å; L264-A320 HydrophobicContact CD2-CB 4.11Å
265	P	91.2	Very high	89.9	Confident	95 Å²	95	58.5 Å²	58.5	62%	0.617	33%	0.332	S	S	*	.	H	α-helix	trans	-59.9	-39.6	177.8	-24.2	35	0	0	0	113.2	A263 I268 V269	A263-P265 VanDerWaalsContact C-CD 3.43Å; A263-P265 VanDerWaalsContact C-N 3.34Å; P265-I268 PolarHBondContact O-N 2.88Å; P265-V269 VanDerWaalsContact O-CG2 3.25Å; P265-V269 WeakPolarHBondContact O-CG2 3.43Å; P265-V269 PolarHBondContact O-N 3.45Å
266	A	91.8	Very high	90.1	Very high	44 Å²	44	60.8 Å²	60.8	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-65.4	-43	179.5	0	0	0	0	0	111.3	A263 L264 V269 L270	A263-A266 HydrophobicContact CB-CB 4.23Å; A263-A266 WeakPolarHBondContact O-CB 3.4Å; A263-A266 PolarHBondContact O-N 3.45Å; L264-A266 VanDerWaalsContact C-N 3.32Å; L264-A266 PolarHBondContact O-N 3.39Å; A266-V269 PolarHBondContact O-N 3.41Å; A266-L270 WeakPolarHBondContact O-CG 3.39Å; A266-L270 PolarHBondContact O-N 2.85Å; A266-L270 VanDerWaalsContact O-N 3.13Å
267	R	91.8	Very high	90.3	Very high	6 Å²	6	62.2 Å²	62.2	2%	0.023	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-44.9	176.7	-64.5	-171.9	176.5	-163.4	-2.4	112	A256 I259 D260 T261 A263 L264 L270 G271 L316 D418	A256-R267 HydrophobicContact CB-CB 4.27Å; A256-R267 HydrophobicContact CB-CG 4.45Å; A256-R267 WeakPolarHBondContact O-CD 2.83Å; A256-R267 WeakPolarHBondContact O-CG 3.31Å; A256-R267 PolarHBondContact O-NE 3.35Å; I259-R267 HydrophobicContact CB-CG 4.26Å; I259-R267 HydrophobicContact CG2-CG 4.22Å; I259-R267 PolarHBondContact O-NE 3.49Å; I259-R267 PolarHBondContact O-NH2 2.93Å; D260-R267 PolarHBondContact O-NE 3.49Å; T261-R267 VanDerWaalsContact CA-NH2 3.31Å; A263-R267 PolarHBondContact O-N 3.07Å; L264-R267 PolarHBondContact O-N 2.86Å; R267-L270 PolarHBondContact O-N 2.89Å; R267-G271 PolarHBondContact O-N 3.44Å; R267-L316 HydrophobicContact CB-CD1 3.63Å; R267-L316 HydrophobicContact CB-CD2 3.86Å; R267-L316 HydrophobicContact CB-CG 4.42Å; R267-L316 VanDerWaalsContact CD-CD1 3.48Å; R267-L316 HydrophobicContact CG-CD1 4.23Å; R267-D418 IonicContact CZ-OD1 2.74Å; R267-D418 IonicContact CZ-OD2 3.68Å; R267-D418 IonicContact NH1-OD1 2.7Å; R267-D418 PolarHBondContact NH1-OD1 3.4Å; R267-D418 IonicContact NH1-OD2 2.91Å; R267-D418 PolarHBondContact NH1-OD2 2.78Å; R267-D418 IonicContact NH2-OD1 3.35Å; R267-D418 IonicContact NH2-OD2 3.71Å; R267-D418 PolarHBondContact NH2-OD2 3.14Å
268	I	92.8	Very high	90.5	Very high	74 Å²	74	61.6 Å²	61.6	38%	0.379	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-45.8	178.7	-65.1	171.5	0	0	0	110.7	L264 P265 L270 G271 V272 L316	L264-I268 HydrophobicContact CD1-CD1 4.07Å; L264-I268 HydrophobicContact CD1-CG1 4.18Å; L264-I268 HydrophobicContact CD2-CD1 4.49Å; L264-I268 HydrophobicContact CG-CD1 3.9Å; L264-I268 HydrophobicContact CG-CG1 4.41Å; L264-I268 WeakPolarHBondContact O-CG1 3.49Å; L264-I268 PolarHBondContact O-N 2.83Å; L264-I268 VanDerWaalsContact O-N 3.07Å; P265-I268 PolarHBondContact O-N 2.88Å; I268-L270 VanDerWaalsContact C-N 3.35Å; I268-L270 PolarHBondContact O-N 2.88Å; I268-G271 PolarHBondContact O-N 3.45Å; I268-V272 HydrophobicContact CG2-CG2 4Å; I268-V272 WeakPolarHBondContact O-CB 3.22Å; I268-V272 WeakPolarHBondContact O-CG2 3.38Å; I268-V272 PolarHBondContact O-N 3.14Å; I268-L316 HydrophobicContact CB-CD2 4.31Å; I268-L316 HydrophobicContact CG1-CD2 3.59Å
269	V	94.3	Very high	90.8	Very high	94 Å²	94	61.3 Å²	61.3	57%	0.57	34%	0.344	S	S	*	.	H	α-helix	trans	-60.4	-43.8	-179	169.4	0	0	0	0	111.3	P265 A266 N273	P265-V269 VanDerWaalsContact O-CG2 3.25Å; P265-V269 WeakPolarHBondContact O-CG2 3.43Å; P265-V269 PolarHBondContact O-N 3.45Å; A266-V269 PolarHBondContact O-N 3.41Å; V269-N273 WeakPolarHBondContact O-CB 3.39Å; V269-N273 PolarHBondContact O-N 3.2Å
270	L	94	Very high	91.1	Very high	48 Å²	48	65.2 Å²	65.2	25%	0.251	36%	0.36	S	S	.	.	H	α-helix	trans	-62.1	-45.6	177.7	-69.6	176.1	0	0	0	112.3	I252 A256 I259 A266 R267 I268 S274	I252-L270 HydrophobicContact CG2-CD2 4Å; A256-L270 HydrophobicContact CB-CB 4.41Å; A256-L270 HydrophobicContact CB-CD1 4.39Å; I259-L270 HydrophobicContact CD1-CD1 3.4Å; I259-L270 VanDerWaalsContact CD1-CD1 3.4Å; A266-L270 WeakPolarHBondContact O-CG 3.39Å; A266-L270 PolarHBondContact O-N 2.85Å; A266-L270 VanDerWaalsContact O-N 3.13Å; R267-L270 PolarHBondContact O-N 2.89Å; I268-L270 VanDerWaalsContact C-N 3.35Å; I268-L270 PolarHBondContact O-N 2.88Å; L270-S274 VanDerWaalsContact O-CB 3.29Å; L270-S274 WeakPolarHBondContact O-CB 3.44Å; L270-S274 PolarHBondContact O-N 3.32Å; L270-S274 PolarHBondContact O-OG 3.48Å
271	G	93.1	Very high	91.5	Very high	2 Å²	2	61 Å²	61	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-66.8	-46.8	179.7	0	0	0	0	0	113.1	R267 I268 S274 L275	R267-G271 PolarHBondContact O-N 3.44Å; I268-G271 PolarHBondContact O-N 3.45Å; G271-S274 PolarHBondContact O-N 3.22Å; G271-L275 PolarHBondContact O-N 2.96Å
272	V	95.3	Very high	92	Very high	77 Å²	77	62.5 Å²	62.5	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-42.2	-179.8	174.4	0	0	0	0	111.5	I268 S274 L275 M276 L313	I268-V272 HydrophobicContact CG2-CG2 4Å; I268-V272 WeakPolarHBondContact O-CB 3.22Å; I268-V272 WeakPolarHBondContact O-CG2 3.38Å; I268-V272 PolarHBondContact O-N 3.14Å; V272-S274 VanDerWaalsContact C-N 3.33Å; V272-S274 PolarHBondContact O-N 3.35Å; V272-L275 PolarHBondContact O-N 3.43Å; V272-M276 PolarHBondContact O-N 3.39Å; V272-L313 HydrophobicContact CG2-CD2 4.41Å
273	N	95.3	Very high	92.6	Very high	98 Å²	98	56.1 Å²	56.1	52%	0.524	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-40.1	176.8	-175.7	63.3	0	0	0	111.7	V269 L275 M276 S277	V269-N273 WeakPolarHBondContact O-CB 3.39Å; V269-N273 PolarHBondContact O-N 3.2Å; N273-L275 VanDerWaalsContact C-N 3.35Å; N273-L275 PolarHBondContact O-N 3.32Å; N273-M276 PolarHBondContact O-N 2.97Å; N273-S277 VanDerWaalsContact O-CB 3.32Å; N273-S277 WeakPolarHBondContact O-CB 3.43Å; N273-S277 PolarHBondContact O-N 3.46Å
274	S	94.6	Very high	92.7	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.007	32%	0.323	C	S	.	.	H	α-helix	trans	-63.7	-40.7	176	-57.9	0	0	0	0	111.6	S249 I252 L270 G271 V272 S277 L278	S249-S274 WeakPolarHBondContact O-CB 3.27Å; S249-S274 PolarHBondContact O-OG 2.65Å; I252-S274 WeakPolarHBondContact CG2-OG 3.46Å; L270-S274 VanDerWaalsContact O-CB 3.29Å; L270-S274 WeakPolarHBondContact O-CB 3.44Å; L270-S274 PolarHBondContact O-N 3.32Å; L270-S274 PolarHBondContact O-OG 3.48Å; G271-S274 PolarHBondContact O-N 3.22Å; V272-S274 VanDerWaalsContact C-N 3.33Å; V272-S274 PolarHBondContact O-N 3.35Å; S274-S277 PolarHBondContact O-N 3.18Å; S274-L278 WeakPolarHBondContact O-CB 3.26Å; S274-L278 PolarHBondContact O-N 3.34Å
275	L	94.9	Very high	92.7	Very high	43 Å²	43	55.6 Å²	55.6	23%	0.225	31%	0.313	C	S	.	.	H	α-helix	trans	-65	-42.7	176.3	-175.6	60.3	0	0	0	112.5	G271 V272 N273 L278 T279 V306 I309 L313	G271-L275 PolarHBondContact O-N 2.96Å; V272-L275 PolarHBondContact O-N 3.43Å; N273-L275 VanDerWaalsContact C-N 3.35Å; N273-L275 PolarHBondContact O-N 3.32Å; L275-L278 PolarHBondContact O-N 2.79Å; L275-T279 WeakPolarHBondContact O-CB 3.39Å; L275-T279 PolarHBondContact O-N 3.48Å; L275-T279 PolarHBondContact O-OG1 3.31Å; L275-V306 HydrophobicContact CD1-CG1 4.06Å; L275-I309 HydrophobicContact CB-CG2 3.81Å; L275-I309 HydrophobicContact CD1-CB 4.43Å; L275-I309 HydrophobicContact CD1-CG2 4.21Å; L275-L313 HydrophobicContact CD2-CD1 4.19Å
276	M	95.4	Very high	92.6	Very high	138 Å²	138	54.6 Å²	54.6	68%	0.68	30%	0.301	S	S	*	.	H	α-helix	trans	-64.7	-45.9	176.5	-176.3	177.4	177	0	0	111.3	V272 N273 L278 T279 F280	V272-M276 PolarHBondContact O-N 3.39Å; N273-M276 PolarHBondContact O-N 2.97Å; M276-L278 VanDerWaalsContact C-N 3.33Å; M276-L278 PolarHBondContact O-N 3.22Å; M276-T279 PolarHBondContact O-N 2.98Å; M276-F280 WeakPolarHBondContact O-CB 3.48Å; M276-F280 PolarHBondContact O-N 3.18Å
277	S	93.8	Very high	92.4	Very high	39 Å²	39	61.5 Å²	61.5	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-55.2	-48.2	175	177.4	0	0	0	0	111.3	S249 N273 S274 T279 F280 Q281	S249-S277 PolarHBondContact OG-OG 2.75Å; N273-S277 VanDerWaalsContact O-CB 3.32Å; N273-S277 WeakPolarHBondContact O-CB 3.43Å; N273-S277 PolarHBondContact O-N 3.46Å; S274-S277 PolarHBondContact O-N 3.18Å; S277-T279 PolarHBondContact O-N 3.02Å; S277-F280 PolarHBondContact O-N 2.88Å; S277-Q281 VanDerWaalsContact O-CG 3.31Å; S277-Q281 WeakPolarHBondContact O-CG 3.15Å; S277-Q281 PolarHBondContact O-N 3.22Å; S277-Q281 PolarHBondContact OG-NE2 3.23Å
278	L	94.1	Very high	92.2	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-44.8	179.7	-174.9	64.6	0	0	0	112	T246 S274 L275 M276 F280 Q281 F282 M302 C305 V306 I309	T246-L278 HydrophobicContact CG2-CD1 3.41Å; T246-L278 VanDerWaalsContact CG2-CD1 3.41Å; S274-L278 WeakPolarHBondContact O-CB 3.26Å; S274-L278 PolarHBondContact O-N 3.34Å; L275-L278 PolarHBondContact O-N 2.79Å; M276-L278 VanDerWaalsContact C-N 3.33Å; M276-L278 PolarHBondContact O-N 3.22Å; L278-F280 PolarHBondContact O-N 3.3Å; L278-Q281 PolarHBondContact O-N 3.12Å; L278-F282 PolarHBondContact O-N 2.9Å; L278-M302 HydrophobicContact CD1-CE 3.98Å; L278-M302 HydrophobicContact CD1-SD 3.32Å; L278-M302 WeakPolarHBondContact CD1-SD 3.09Å; L278-M302 HydrophobicContact CD2-SD 4.08Å; L278-M302 HydrophobicContact CG-SD 3.44Å; L278-M302 WeakPolarHBondContact CG-SD 3.39Å; L278-C305 HydrophobicContact CD1-CB 4.16Å; L278-C305 HydrophobicContact CD2-CB 3.59Å; L278-V306 HydrophobicContact CD2-CB 4.29Å; L278-V306 HydrophobicContact CD2-CG2 3.53Å; L278-V306 HydrophobicContact CG-CG2 4.17Å; L278-I309 HydrophobicContact CB-CD1 4.2Å; L278-I309 HydrophobicContact CD2-CD1 3.62Å; L278-I309 HydrophobicContact CG-CD1 4.5Å
279	T	92.2	Very high	92	Very high	76 Å²	76	61.1 Å²	61.1	47%	0.466	32%	0.322	S	S	.	.	H	α-helix	trans	-67.4	-36.8	179.8	-55.8	0	0	0	0	111.6	L275 M276 S277 F282 G283	L275-T279 WeakPolarHBondContact O-CB 3.39Å; L275-T279 PolarHBondContact O-N 3.48Å; L275-T279 PolarHBondContact O-OG1 3.31Å; M276-T279 PolarHBondContact O-N 2.98Å; S277-T279 PolarHBondContact O-N 3.02Å; T279-F282 PolarHBondContact O-N 3.26Å; T279-G283 PolarHBondContact O-N 3.08Å
280	F	92.8	Very high	91.8	Very high	131 Å²	131	57.5 Å²	57.5	58%	0.575	30%	0.3	S	S	*	.	H	α-helix	trans	-65.8	-45.1	174.3	-179.6	-103.4	0	0	0	111.9	M276 S277 L278 F282 G283 N284	M276-F280 WeakPolarHBondContact O-CB 3.48Å; M276-F280 PolarHBondContact O-N 3.18Å; S277-F280 PolarHBondContact O-N 2.88Å; L278-F280 PolarHBondContact O-N 3.3Å; F280-F282 VanDerWaalsContact C-N 3.32Å; F280-F282 PolarHBondContact O-N 2.71Å; F280-G283 PolarHBondContact O-N 3.02Å; F280-N284 WeakPolarHBondContact CD1-ND2 3.42Å; F280-N284 WeakPolarHBondContact CE1-ND2 3.36Å; F280-N284 WeakPolarHBondContact CZ-ND2 3.24Å; F280-N284 PolarHBondContact O-N 2.71Å; F280-N284 PolarHBondContact O-ND2 2.77Å
281	Q	91.4	Very high	91.6	Very high	34 Å²	34	61.8 Å²	61.8	16%	0.159	33%	0.331	C	S	.	.	H	α-helix	trans	-59	-44.5	175.2	-72.4	172.5	15.2	0	0	111.4	S277 L278 G283 N284 I285	S277-Q281 VanDerWaalsContact O-CG 3.31Å; S277-Q281 WeakPolarHBondContact O-CG 3.15Å; S277-Q281 PolarHBondContact O-N 3.22Å; S277-Q281 PolarHBondContact OG-NE2 3.23Å; L278-Q281 PolarHBondContact O-N 3.12Å; Q281-G283 PolarHBondContact O-N 2.85Å; Q281-N284 PolarHBondContact O-N 2.61Å; Q281-I285 WeakPolarHBondContact O-CD1 3.48Å; Q281-I285 WeakPolarHBondContact O-CG1 3.34Å; Q281-I285 PolarHBondContact O-N 2.93Å
282	F	90.4	Very high	91.4	Very high	53 Å²	53	63.7 Å²	63.7	23%	0.232	34%	0.342	C	S	.	.	H	α-helix	trans	-59.1	-46.9	175.6	-174.1	-134.4	0	0	0	112.3	L278 T279 F280 N284 I285 I286 M302	L278-F282 PolarHBondContact O-N 2.9Å; T279-F282 PolarHBondContact O-N 3.26Å; F280-F282 VanDerWaalsContact C-N 3.32Å; F280-F282 PolarHBondContact O-N 2.71Å; F282-N284 VanDerWaalsContact C-N 3.29Å; F282-N284 PolarHBondContact O-N 2.76Å; F282-I285 PolarHBondContact O-N 2.84Å; F282-I286 HydrophobicContact CD1-CD1 3.49Å; F282-I286 VanDerWaalsContact CD1-CD1 3.49Å; F282-I286 HydrophobicContact CD2-CD1 3.79Å; F282-I286 HydrophobicContact CD2-CG1 4.05Å; F282-I286 HydrophobicContact CE1-CD1 3.21Å; F282-I286 HydrophobicContact CE1-CG1 4.35Å; F282-I286 HydrophobicContact CE2-CD1 3.54Å; F282-I286 HydrophobicContact CE2-CG1 3.8Å; F282-I286 HydrophobicContact CG-CD1 3.78Å; F282-I286 HydrophobicContact CG-CG1 4.44Å; F282-I286 HydrophobicContact CZ-CD1 3.25Å; F282-I286 HydrophobicContact CZ-CG1 3.97Å; F282-I286 WeakPolarHBondContact O-CG1 3.46Å; F282-I286 PolarHBondContact O-N 3.32Å; F282-M302 HydrophobicContact CB-CE 3.71Å; F282-M302 HydrophobicContact CB-CG 3.85Å; F282-M302 HydrophobicContact CB-SD 3.84Å; F282-M302 HydrophobicContact CD1-CG 4.03Å; F282-M302 HydrophobicContact CD2-CB 3.92Å; F282-M302 HydrophobicContact CD2-CE 3.94Å; F282-M302 HydrophobicContact CD2-CG 3.53Å; F282-M302 HydrophobicContact CD2-SD 4.38Å; F282-M302 HydrophobicContact CE1-CG 4.43Å; F282-M302 HydrophobicContact CE2-CB 3.99Å; F282-M302 HydrophobicContact CE2-CG 3.98Å; F282-M302 HydrophobicContact CG-CB 4.43Å; F282-M302 HydrophobicContact CG-CE 4.17Å; F282-M302 HydrophobicContact CG-CG 3.55Å; F282-M302 HydrophobicContact CG-SD 4.22Å; F282-M302 HydrophobicContact CZ-CG 4.39Å
283	G	91	Very high	91.2	Very high	25 Å²	25	66.1 Å²	66.1	26%	0.258	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-37.2	177.6	0	0	0	0	0	113.2	T279 F280 Q281 R287	T279-G283 PolarHBondContact O-N 3.08Å; F280-G283 PolarHBondContact O-N 3.02Å; Q281-G283 PolarHBondContact O-N 2.85Å; G283-R287 VanDerWaalsContact O-CG 3.31Å; G283-R287 WeakPolarHBondContact O-CG 3.41Å; G283-R287 PolarHBondContact O-N 2.83Å
284	N	89.5	Confident	91.1	Very high	66 Å²	66	65.3 Å²	65.3	35%	0.353	35%	0.353	S	S	.	.	H	α-helix	trans	-66.3	-37.5	177.3	-70.6	-23.7	0	0	0	112.5	F280 Q281 F282 R287	F280-N284 WeakPolarHBondContact CD1-ND2 3.42Å; F280-N284 WeakPolarHBondContact CE1-ND2 3.36Å; F280-N284 WeakPolarHBondContact CZ-ND2 3.24Å; F280-N284 PolarHBondContact O-N 2.71Å; F280-N284 PolarHBondContact O-ND2 2.77Å; Q281-N284 PolarHBondContact O-N 2.61Å; F282-N284 VanDerWaalsContact C-N 3.29Å; F282-N284 PolarHBondContact O-N 2.76Å; N284-R287 PolarHBondContact OD1-NH1 3.14Å
285	I	87.7	Confident	91	Very high	24 Å²	24	70.4 Å²	70.4	12%	0.123	38%	0.383	C	S	.	.	H	α-helix	trans	-77.7	-41.2	-177.8	-64.5	157.1	0	0	0	110.9	F162 L242 Q281 F282 R287 S288 L289	F162-I285 HydrophobicContact CE1-CG2 4.33Å; L242-I285 HydrophobicContact CB-CD1 3.61Å; L242-I285 HydrophobicContact CD1-CD1 3.11Å; L242-I285 HydrophobicContact CD2-CD1 3.69Å; L242-I285 HydrophobicContact CD2-CG2 4.47Å; L242-I285 HydrophobicContact CG-CD1 3.59Å; Q281-I285 WeakPolarHBondContact O-CD1 3.48Å; Q281-I285 WeakPolarHBondContact O-CG1 3.34Å; Q281-I285 PolarHBondContact O-N 2.93Å; F282-I285 PolarHBondContact O-N 2.84Å; I285-R287 PolarHBondContact O-N 2.61Å; I285-S288 WeakPolarHBondContact O-CB 3.26Å; I285-S288 PolarHBondContact O-N 2.8Å; I285-S288 PolarHBondContact O-OG 2.69Å; I285-L289 HydrophobicContact CG2-CD1 4.34Å
286	I	88.1	Confident	90.9	Very high	73 Å²	73	69.2 Å²	69.2	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-57.9	-35.5	176.2	-69.6	164.6	0	0	0	111.2	F282 S288 L289	F282-I286 HydrophobicContact CD1-CD1 3.49Å; F282-I286 VanDerWaalsContact CD1-CD1 3.49Å; F282-I286 HydrophobicContact CD2-CD1 3.79Å; F282-I286 HydrophobicContact CD2-CG1 4.05Å; F282-I286 HydrophobicContact CE1-CD1 3.21Å; F282-I286 HydrophobicContact CE1-CG1 4.35Å; F282-I286 HydrophobicContact CE2-CD1 3.54Å; F282-I286 HydrophobicContact CE2-CG1 3.8Å; F282-I286 HydrophobicContact CG-CD1 3.78Å; F282-I286 HydrophobicContact CG-CG1 4.44Å; F282-I286 HydrophobicContact CZ-CD1 3.25Å; F282-I286 HydrophobicContact CZ-CG1 3.97Å; F282-I286 WeakPolarHBondContact O-CG1 3.46Å; F282-I286 PolarHBondContact O-N 3.32Å; I286-S288 PolarHBondContact O-N 3.24Å; I286-L289 PolarHBondContact O-N 3.09Å; I286-L289 VanDerWaalsContact O-N 3.14Å
287	R	88.6	Confident	90.8	Very high	189 Å²	189	62.8 Å²	62.8	71%	0.713	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-26	176.7	-72.4	171	-175.1	156.9	0.5	113.7	G283 N284 I285 L289	G283-R287 VanDerWaalsContact O-CG 3.31Å; G283-R287 WeakPolarHBondContact O-CG 3.41Å; G283-R287 PolarHBondContact O-N 2.83Å; N284-R287 PolarHBondContact OD1-NH1 3.14Å; I285-R287 PolarHBondContact O-N 2.61Å; R287-L289 VanDerWaalsContact C-N 3.28Å
288	S	87	Confident	90.7	Very high	61 Å²	61	61 Å²	61	43%	0.427	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-8.3	177.4	71.2	0	0	0	0	113.4	I285 I286	I285-S288 WeakPolarHBondContact O-CB 3.26Å; I285-S288 PolarHBondContact O-N 2.8Å; I285-S288 PolarHBondContact O-OG 2.69Å; I286-S288 PolarHBondContact O-N 3.24Å
289	L	88.9	Confident	90.7	Very high	12 Å²	12	62.5 Å²	62.5	6%	0.063	34%	0.34	C	S	.	.	S	Bend	trans	-117.9	148.3	-177.1	-61.6	172.4	0	0	0	110.3	F162 I285 I286 R287	F162-L289 HydrophobicContact CD1-CD1 3.87Å; F162-L289 HydrophobicContact CD2-CD2 4.02Å; F162-L289 HydrophobicContact CE1-CD1 3.68Å; F162-L289 HydrophobicContact CE1-CD2 4.42Å; F162-L289 HydrophobicContact CE2-CD1 4.38Å; F162-L289 HydrophobicContact CE2-CD2 3.65Å; F162-L289 HydrophobicContact CG-CD1 4.3Å; F162-L289 HydrophobicContact CZ-CD1 3.92Å; F162-L289 HydrophobicContact CZ-CD2 3.84Å; F162-L289 HydrophobicContact CZ-CG 4.32Å; I285-L289 HydrophobicContact CG2-CD1 4.34Å; I286-L289 PolarHBondContact O-N 3.09Å; I286-L289 VanDerWaalsContact O-N 3.14Å; R287-L289 VanDerWaalsContact C-N 3.28Å
290	P	89.3	Confident	90.8	Very high	18 Å²	18	62.4 Å²	62.4	12%	0.117	34%	0.337	C	S	.	.			trans	-65.8	151.3	171.2	30.9	-37.2	0	0	0	110.5	V68 L69 L159 V292	V68-P290 HydrophobicContact CG1-CG 3.83Å; V68-P290 WeakPolarHBondContact O-CG 3.19Å; L69-P290 HydrophobicContact CD2-CB 4.43Å; L159-P290 HydrophobicContact CD1-CG 3.83Å; P290-V292 HydrophobicContact CG-CG1 4.5Å; P290-V292 PolarHBondContact O-N 2.82Å
291	P	89.6	Confident	90.9	Very high	137 Å²	137	56.1 Å²	56.1	89%	0.89	31%	0.309	S	S	*	.			trans	-65.8	121.7	171.3	28.5	-33.2	0	0	0	109.5
292	V	90	Very high	91	Very high	42 Å²	42	54.7 Å²	54.7	26%	0.255	30%	0.302	S	S	.	.			trans	-119.7	148.6	175.2	-65	0	0	0	0	109.7	L159 P290 Y294 K296	L159-V292 HydrophobicContact CD1-CG1 4.2Å; P290-V292 HydrophobicContact CG-CG1 4.5Å; P290-V292 PolarHBondContact O-N 2.82Å; V292-Y294 HydrophobicContact CB-CD1 4.25Å; V292-Y294 HydrophobicContact CB-CE1 3.87Å; V292-Y294 HydrophobicContact CB-CE2 4.16Å; V292-Y294 HydrophobicContact CG1-CE1 4.13Å; V292-Y294 HydrophobicContact CG2-CD2 4.25Å; V292-Y294 HydrophobicContact CG2-CE2 3.91Å; V292-K296 HydrophobicContact CG2-CD 3.73Å; V292-K296 HydrophobicContact CG2-CG 3.99Å
293	S	90.8	Very high	91.1	Very high	129 Å²	129	56.4 Å²	56.4	90%	0.902	32%	0.32	S	S	*	.	S	Bend	trans	-84.7	-18	-176.7	54.4	0	0	0	0	114.1
294	Y	93.4	Very high	91.3	Very high	81 Å²	81	56.7 Å²	56.7	32%	0.318	32%	0.317	S	S	.	.	S	Bend	trans	-92.4	161.3	179.6	54.9	-100.6	0	0	0	112.2	L159 A160 V292 K296	L159-Y294 HydrophobicContact CB-CE2 4.26Å; L159-Y294 PolarHBondContact N-OH 2.78Å; A160-Y294 HydrophobicContact CB-CD2 4.37Å; A160-Y294 HydrophobicContact CB-CE2 4.26Å; V292-Y294 HydrophobicContact CB-CD1 4.25Å; V292-Y294 HydrophobicContact CB-CE1 3.87Å; V292-Y294 HydrophobicContact CB-CE2 4.16Å; V292-Y294 HydrophobicContact CG1-CE1 4.13Å; V292-Y294 HydrophobicContact CG2-CD2 4.25Å; V292-Y294 HydrophobicContact CG2-CE2 3.91Å; Y294-K296 HydrophobicContact CD2-CG 4.46Å; Y294-K296 HydrophobicContact CE2-CG 4.23Å
295	V	92.2	Very high	91.6	Very high	107 Å²	107	53.5 Å²	53.5	65%	0.648	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-77.2	126.9	179.2	-179.3	0	0	0	0	109.9	D299	V295-D299 HydrophobicContact CG1-CB 4.22Å
296	K	92.8	Very high	91.9	Very high	19 Å²	19	54.7 Å²	54.7	8%	0.083	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-92.3	154.7	174.2	-60.1	173.6	-68	-52.3	0	110.6	L159 A160 V292 Y294 I298 D299 L300	L159-K296 HydrophobicContact CB-CD 4.28Å; L159-K296 WeakPolarHBondContact O-CG 3.31Å; A160-K296 CarbonylContact O-C 3.56Å; V292-K296 HydrophobicContact CG2-CD 3.73Å; V292-K296 HydrophobicContact CG2-CG 3.99Å; Y294-K296 HydrophobicContact CD2-CG 4.46Å; Y294-K296 HydrophobicContact CE2-CG 4.23Å; K296-I298 HydrophobicContact CB-CG2 3.86Å; K296-I298 HydrophobicContact CD-CG2 4.48Å; K296-I298 PolarHBondContact O-N 2.87Å; K296-I298 VanDerWaalsContact O-N 3.14Å; K296-D299 WeakPolarHBondContact CB-OD2 3.41Å; K296-D299 WeakPolarHBondContact CE-OD1 3.03Å; K296-D299 WeakPolarHBondContact CE-OD2 3.47Å; K296-D299 PolarHBondContact N-OD2 3.25Å; K296-D299 IonicContact NZ-OD1 3.46Å; K296-D299 PolarHBondContact NZ-OD1 3.38Å; K296-D299 IonicContact NZ-OD2 2.95Å; K296-D299 PolarHBondContact NZ-OD2 2.95Å; K296-D299 WeakPolarHBondContact O-CB 3.08Å; K296-D299 PolarHBondContact O-N 2.86Å; K296-L300 PolarHBondContact O-N 2.91Å
297	A	93	Very high	92.2	Very high	2 Å²	2	53 Å²	53	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-53	-35.4	173.3	0	0	0	0	0	112.8	A160 W301 Y436 Y440	A160-A297 PolarHBondContact O-N 2.98Å; A297-W301 PolarHBondContact O-N 3.44Å; A297-W301 VanDerWaalsContact O-N 3.14Å; A297-Y436 WeakPolarHBondContact O-CE2 3.22Å; A297-Y436 PolarHBondContact O-OH 2.89Å; A297-Y440 WeakPolarHBondContact CA-OH 3.45Å; A297-Y440 HydrophobicContact CB-CD1 3.81Å; A297-Y440 HydrophobicContact CB-CD2 4.25Å; A297-Y440 HydrophobicContact CB-CE1 3.32Å; A297-Y440 HydrophobicContact CB-CE2 3.83Å; A297-Y440 HydrophobicContact CB-CG 4.26Å
298	I	93	Very high	92.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-70.5	-32.2	175.1	-170.8	53.8	0	0	0	113.6	F162 L242 K296 L300 W301 M302	F162-I298 HydrophobicContact CD1-CB 4.27Å; F162-I298 HydrophobicContact CD1-CG2 3.88Å; F162-I298 HydrophobicContact CE1-CG2 4.46Å; L242-I298 HydrophobicContact CD1-CD1 3.83Å; L242-I298 HydrophobicContact CD2-CD1 3.27Å; L242-I298 HydrophobicContact CD2-CG1 3.78Å; L242-I298 HydrophobicContact CG-CD1 3.88Å; K296-I298 HydrophobicContact CB-CG2 3.86Å; K296-I298 HydrophobicContact CD-CG2 4.48Å; K296-I298 PolarHBondContact O-N 2.87Å; K296-I298 VanDerWaalsContact O-N 3.14Å; I298-L300 VanDerWaalsContact C-N 3.34Å; I298-W301 HydrophobicContact CD1-CB 4.23Å; I298-W301 HydrophobicContact CD1-CG 4.35Å; I298-W301 PolarHBondContact O-N 3.49Å; I298-M302 WeakPolarHBondContact O-CB 3.23Å; I298-M302 PolarHBondContact O-N 2.9Å
299	D	93	Very high	92.9	Very high	31 Å²	31	42.8 Å²	42.8	17%	0.166	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-40.3	177.7	-58.2	-29.8	0	0	0	109.9	V295 K296 M302 C303	V295-D299 HydrophobicContact CG1-CB 4.22Å; K296-D299 WeakPolarHBondContact CB-OD2 3.41Å; K296-D299 WeakPolarHBondContact CE-OD1 3.03Å; K296-D299 WeakPolarHBondContact CE-OD2 3.47Å; K296-D299 PolarHBondContact N-OD2 3.25Å; K296-D299 IonicContact NZ-OD1 3.46Å; K296-D299 PolarHBondContact NZ-OD1 3.38Å; K296-D299 IonicContact NZ-OD2 2.95Å; K296-D299 PolarHBondContact NZ-OD2 2.95Å; K296-D299 WeakPolarHBondContact O-CB 3.08Å; K296-D299 PolarHBondContact O-N 2.86Å; D299-M302 PolarHBondContact O-N 2.86Å; D299-C303 WeakPolarHBondContact O-CB 3.12Å; D299-C303 PolarHBondContact O-N 3.21Å
300	L	93.8	Very high	93.2	Very high	74 Å²	74	47.6 Å²	47.6	39%	0.387	28%	0.283	S	S	.	.	H	α-helix	trans	-61.9	-48.5	173.9	-178.5	63.4	0	0	0	111	K296 I298 M302 C303 T304	K296-L300 PolarHBondContact O-N 2.91Å; I298-L300 VanDerWaalsContact C-N 3.34Å; L300-M302 PolarHBondContact O-N 3.38Å; L300-C303 PolarHBondContact O-N 3.09Å; L300-T304 WeakPolarHBondContact O-CB 3.43Å; L300-T304 PolarHBondContact O-N 3.46Å; L300-T304 PolarHBondContact O-OG1 2.8Å
301	W	95	Very high	93.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55.3	-50.7	175.7	176.3	-95.8	0	0	0	111.9	Y243 T246 Y247 A297 I298 T304 C305 F429 F432 N433 Y436	Y243-W301 AromaticContact CD1-CD2 3.84Å; Y243-W301 HydrophobicContact CD1-CD2 3.84Å; Y243-W301 AromaticContact CD1-CE2 3.54Å; Y243-W301 HydrophobicContact CD1-CE3 4.29Å; Y243-W301 HydrophobicContact CD1-CG 4.31Å; Y243-W301 HydrophobicContact CD1-CH2 4.27Å; Y243-W301 AromaticContact CD1-CZ2 3.79Å; Y243-W301 HydrophobicContact CD1-CZ2 3.79Å; Y243-W301 HydrophobicContact CD1-CZ3 4.49Å; Y243-W301 AromaticContact CD1-NE1 3.79Å; Y243-W301 AromaticContact CE1-CD2 3.61Å; Y243-W301 HydrophobicContact CE1-CD2 3.61Å; Y243-W301 AromaticContact CE1-CE2 3.84Å; Y243-W301 AromaticContact CE1-CE3 3.95Å; Y243-W301 HydrophobicContact CE1-CE3 3.95Å; Y243-W301 AromaticContact CE1-CG 3.84Å; Y243-W301 HydrophobicContact CE1-CG 3.84Å; Y243-W301 HydrophobicContact CE1-CZ2 4.4Å; Y243-W301 HydrophobicContact CE1-CZ3 4.49Å; T246-W301 PolarHBondContact OG1-NE1 3.21Å; Y247-W301 HydrophobicContact CD1-CH2 4.46Å; Y247-W301 HydrophobicContact CD1-CZ2 4.46Å; Y247-W301 HydrophobicContact CD2-CZ2 4.42Å; Y247-W301 AromaticContact CE1-CH2 3.65Å; Y247-W301 HydrophobicContact CE1-CH2 3.65Å; Y247-W301 HydrophobicContact CE1-CZ2 4.05Å; Y247-W301 HydrophobicContact CE2-CH2 4.02Å; Y247-W301 AromaticContact CE2-CZ2 3.99Å; Y247-W301 HydrophobicContact CE2-CZ2 3.99Å; Y247-W301 AromaticContact CZ-CH2 3.4Å; Y247-W301 VanDerWaalsContact CZ-CH2 3.4Å; Y247-W301 AromaticContact CZ-CZ2 3.81Å; Y247-W301 WeakPolarHBondContact OH-CH2 3.12Å; A297-W301 PolarHBondContact O-N 3.44Å; A297-W301 VanDerWaalsContact O-N 3.14Å; I298-W301 HydrophobicContact CD1-CB 4.23Å; I298-W301 HydrophobicContact CD1-CG 4.35Å; I298-W301 PolarHBondContact O-N 3.49Å; W301-T304 PolarHBondContact O-N 2.79Å; W301-C305 PolarHBondContact O-N 3.2Å; W301-C305 PolarHBondContact O-SG 3.45Å; W301-F429 HydrophobicContact CH2-CE2 4.33Å; W301-F429 AromaticContact CH2-CZ 3.74Å; W301-F429 HydrophobicContact CH2-CZ 3.74Å; W301-F429 HydrophobicContact CZ2-CZ 4.11Å; W301-F432 AromaticContact CE3-CE1 3.69Å; W301-F432 HydrophobicContact CE3-CE1 3.69Å; W301-F432 HydrophobicContact CE3-CZ 4.33Å; W301-F432 HydrophobicContact CZ3-CD1 4.39Å; W301-F432 AromaticContact CZ3-CE1 3.79Å; W301-F432 HydrophobicContact CZ3-CE1 3.79Å; W301-N433 WeakPolarHBondContact CH2-OD1 3.5Å; W301-N433 WeakPolarHBondContact CZ3-OD1 3.32Å; W301-Y436 HydrophobicContact CB-CE2 3.92Å; W301-Y436 AromaticContact CE3-CD1 3.82Å; W301-Y436 HydrophobicContact CE3-CD1 3.82Å; W301-Y436 HydrophobicContact CE3-CD2 4.22Å; W301-Y436 AromaticContact CE3-CE1 3.79Å; W301-Y436 HydrophobicContact CE3-CE1 3.79Å; W301-Y436 HydrophobicContact CE3-CE2 4.18Å; W301-Y436 HydrophobicContact CE3-CG 4.04Å; W301-Y436 AromaticContact CE3-CZ 3.98Å; W301-Y436 HydrophobicContact CZ3-CD1 4.08Å; W301-Y436 HydrophobicContact CZ3-CE1 4.39Å; W301-Y436 HydrophobicContact CZ3-CG 4.39Å
302	M	93.1	Very high	93.6	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-65.6	-43.9	-177.9	-171.2	62.3	60.8	0	0	112	L242 T246 L278 F282 I298 D299 L300 T304 C305 V306	L242-M302 HydrophobicContact CD1-CE 4.14Å; T246-M302 HydrophobicContact CG2-CE 3.98Å; L278-M302 HydrophobicContact CD1-CE 3.98Å; L278-M302 HydrophobicContact CD1-SD 3.32Å; L278-M302 WeakPolarHBondContact CD1-SD 3.09Å; L278-M302 HydrophobicContact CD2-SD 4.08Å; L278-M302 HydrophobicContact CG-SD 3.44Å; L278-M302 WeakPolarHBondContact CG-SD 3.39Å; F282-M302 HydrophobicContact CB-CE 3.71Å; F282-M302 HydrophobicContact CB-CG 3.85Å; F282-M302 HydrophobicContact CB-SD 3.84Å; F282-M302 HydrophobicContact CD1-CG 4.03Å; F282-M302 HydrophobicContact CD2-CB 3.92Å; F282-M302 HydrophobicContact CD2-CE 3.94Å; F282-M302 HydrophobicContact CD2-CG 3.53Å; F282-M302 HydrophobicContact CD2-SD 4.38Å; F282-M302 HydrophobicContact CE1-CG 4.43Å; F282-M302 HydrophobicContact CE2-CB 3.99Å; F282-M302 HydrophobicContact CE2-CG 3.98Å; F282-M302 HydrophobicContact CG-CB 4.43Å; F282-M302 HydrophobicContact CG-CE 4.17Å; F282-M302 HydrophobicContact CG-CG 3.55Å; F282-M302 HydrophobicContact CG-SD 4.22Å; F282-M302 HydrophobicContact CZ-CG 4.39Å; I298-M302 WeakPolarHBondContact O-CB 3.23Å; I298-M302 PolarHBondContact O-N 2.9Å; D299-M302 PolarHBondContact O-N 2.86Å; L300-M302 PolarHBondContact O-N 3.38Å; M302-T304 VanDerWaalsContact C-N 3.3Å; M302-T304 PolarHBondContact O-N 2.92Å; M302-C305 PolarHBondContact O-N 2.87Å; M302-V306 HydrophobicContact CG-CG2 4.4Å; M302-V306 WeakPolarHBondContact O-CB 3.47Å; M302-V306 WeakPolarHBondContact O-CG2 3.45Å; M302-V306 PolarHBondContact O-N 3.02Å; M302-V306 HydrophobicContact SD-CG2 4.49Å
303	C	93.8	Very high	93.7	Very high	90 Å²	90	41.7 Å²	41.7	61%	0.608	25%	0.246	S	C	*	.	H	α-helix	trans	-59.5	-43.2	176.9	-173.5	0	0	0	0	111	D299 L300 V306 G307	D299-C303 WeakPolarHBondContact O-CB 3.12Å; D299-C303 PolarHBondContact O-N 3.21Å; L300-C303 PolarHBondContact O-N 3.09Å; C303-V306 PolarHBondContact O-N 3.16Å; C303-G307 PolarHBondContact O-N 2.99Å
304	T	94.9	Very high	93.9	Very high	30 Å²	30	40.1 Å²	40.1	18%	0.184	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-46.5	174.9	-60.2	0	0	0	0	111.7	L300 W301 M302 V306 G307 F308 F432	L300-T304 WeakPolarHBondContact O-CB 3.43Å; L300-T304 PolarHBondContact O-N 3.46Å; L300-T304 PolarHBondContact O-OG1 2.8Å; W301-T304 PolarHBondContact O-N 2.79Å; M302-T304 VanDerWaalsContact C-N 3.3Å; M302-T304 PolarHBondContact O-N 2.92Å; T304-V306 PolarHBondContact O-N 2.81Å; T304-G307 PolarHBondContact O-N 2.75Å; T304-F308 HydrophobicContact CG2-CD2 3.64Å; T304-F308 HydrophobicContact CG2-CE2 3.51Å; T304-F308 VanDerWaalsContact O-CD2 3.26Å; T304-F308 WeakPolarHBondContact O-CD2 3.44Å; T304-F308 PolarHBondContact O-N 3.47Å; T304-F432 HydrophobicContact CG2-CD1 3.77Å; T304-F432 HydrophobicContact CG2-CD2 3.91Å; T304-F432 HydrophobicContact CG2-CE1 3.62Å; T304-F432 HydrophobicContact CG2-CE2 3.77Å; T304-F432 HydrophobicContact CG2-CG 3.91Å; T304-F432 HydrophobicContact CG2-CZ 3.62Å; T304-F432 WeakPolarHBondContact OG1-CE2 3.47Å; T304-F432 WeakPolarHBondContact OG1-CZ 3.35Å
305	C	95.5	Very high	93.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-46.5	177.4	-65.6	0	0	0	0	111.9	L250 L278 W301 M302 G307 F308 I309	L250-C305 HydrophobicContact CD1-CB 4.11Å; L250-C305 HydrophobicContact CD2-CB 4.48Å; L250-C305 HydrophobicContact CG-CB 4.44Å; L278-C305 HydrophobicContact CD1-CB 4.16Å; L278-C305 HydrophobicContact CD2-CB 3.59Å; W301-C305 PolarHBondContact O-N 3.2Å; W301-C305 PolarHBondContact O-SG 3.45Å; M302-C305 PolarHBondContact O-N 2.87Å; C305-G307 VanDerWaalsContact C-N 3.31Å; C305-G307 PolarHBondContact O-N 2.04Å; C305-F308 PolarHBondContact O-N 3.26Å; C305-I309 WeakPolarHBondContact O-CG1 3.38Å; C305-I309 PolarHBondContact O-N 3.26Å
306	V	94.9	Very high	93.7	Very high	48 Å²	48	32.6 Å²	32.6	29%	0.291	19%	0.188	S	C	.	.	H	α-helix	trans	-60.7	-43.2	175.6	169.2	0	0	0	0	110.5	L275 L278 M302 C303 T304 F308 I309 F310	L275-V306 HydrophobicContact CD1-CG1 4.06Å; L278-V306 HydrophobicContact CD2-CB 4.29Å; L278-V306 HydrophobicContact CD2-CG2 3.53Å; L278-V306 HydrophobicContact CG-CG2 4.17Å; M302-V306 HydrophobicContact CG-CG2 4.4Å; M302-V306 WeakPolarHBondContact O-CB 3.47Å; M302-V306 WeakPolarHBondContact O-CG2 3.45Å; M302-V306 PolarHBondContact O-N 3.02Å; M302-V306 HydrophobicContact SD-CG2 4.49Å; C303-V306 PolarHBondContact O-N 3.16Å; T304-V306 PolarHBondContact O-N 2.81Å; V306-F308 PolarHBondContact O-N 3.06Å; V306-I309 PolarHBondContact O-N 3.38Å; V306-F310 VanDerWaalsContact O-CB 3.26Å; V306-F310 WeakPolarHBondContact O-CB 3.25Å; V306-F310 PolarHBondContact O-N 3.45Å
307	G	94.8	Very high	93.7	Very high	38 Å²	38	34.4 Å²	34.4	39%	0.392	21%	0.206	S	C	.	.	H	α-helix	trans	-58.6	-43.1	176	0	0	0	0	0	113	C303 T304 C305 F310 A311	C303-G307 PolarHBondContact O-N 2.99Å; T304-G307 PolarHBondContact O-N 2.75Å; C305-G307 VanDerWaalsContact C-N 3.31Å; C305-G307 PolarHBondContact O-N 2.04Å; G307-F310 PolarHBondContact O-N 3.41Å; G307-A311 VanDerWaalsContact O-CB 3.31Å; G307-A311 WeakPolarHBondContact O-CB 3.47Å; G307-A311 PolarHBondContact O-N 2.76Å
308	F	95.4	Very high	93.6	Very high	35 Å²	35	38.9 Å²	38.9	15%	0.154	23%	0.226	C	C	.	.	H	α-helix	trans	-67.5	-43.2	176.6	-86.8	-74.3	0	0	0	112.9	L250 T304 C305 V306 F310 A311 S312 F425 T428 F429	L250-F308 HydrophobicContact CD2-CB 3.85Å; T304-F308 HydrophobicContact CG2-CD2 3.64Å; T304-F308 HydrophobicContact CG2-CE2 3.51Å; T304-F308 VanDerWaalsContact O-CD2 3.26Å; T304-F308 WeakPolarHBondContact O-CD2 3.44Å; T304-F308 PolarHBondContact O-N 3.47Å; C305-F308 PolarHBondContact O-N 3.26Å; V306-F308 PolarHBondContact O-N 3.06Å; F308-F310 VanDerWaalsContact C-N 3.33Å; F308-A311 PolarHBondContact O-N 3.5Å; F308-S312 PolarHBondContact O-N 3.41Å; F308-F425 HydrophobicContact CD1-CD1 4.02Å; F308-T428 WeakPolarHBondContact CE1-OG1 3.48Å; F308-F429 AromaticContact CD2-CD2 3.87Å; F308-F429 HydrophobicContact CD2-CD2 3.87Å; F308-F429 HydrophobicContact CE1-CB 4.32Å; F308-F429 HydrophobicContact CE2-CB 4.32Å; F308-F429 AromaticContact CE2-CD2 3.83Å; F308-F429 HydrophobicContact CE2-CD2 3.83Å; F308-F429 HydrophobicContact CZ-CB 4.1Å; F308-F429 HydrophobicContact CZ-CD2 4.45Å
309	I	94.5	Very high	93.4	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-42.8	175.2	-62.2	-179.8	0	0	0	110	L250 L275 L278 C305 V306 A311 S312 L313	L250-I309 HydrophobicContact CD2-CD1 4.27Å; L250-I309 HydrophobicContact CD2-CG1 3.64Å; L275-I309 HydrophobicContact CB-CG2 3.81Å; L275-I309 HydrophobicContact CD1-CB 4.43Å; L275-I309 HydrophobicContact CD1-CG2 4.21Å; L278-I309 HydrophobicContact CB-CD1 4.2Å; L278-I309 HydrophobicContact CD2-CD1 3.62Å; L278-I309 HydrophobicContact CG-CD1 4.5Å; C305-I309 WeakPolarHBondContact O-CG1 3.38Å; C305-I309 PolarHBondContact O-N 3.26Å; V306-I309 PolarHBondContact O-N 3.38Å; I309-A311 PolarHBondContact O-N 3.13Å; I309-S312 WeakPolarHBondContact O-CB 3.17Å; I309-S312 PolarHBondContact O-N 3.34Å; I309-S312 VanDerWaalsContact O-N 3.16Å; I309-S312 PolarHBondContact O-OG 3.34Å; I309-L313 PolarHBondContact O-N 3.48Å
310	F	94.7	Very high	93.1	Very high	114 Å²	114	38.8 Å²	38.8	50%	0.5	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-41.5	176.4	-176	-107.3	0	0	0	112.2	V306 G307 F308 S312 L313 L314	V306-F310 VanDerWaalsContact O-CB 3.26Å; V306-F310 WeakPolarHBondContact O-CB 3.25Å; V306-F310 PolarHBondContact O-N 3.45Å; G307-F310 PolarHBondContact O-N 3.41Å; F308-F310 VanDerWaalsContact C-N 3.33Å; F310-S312 VanDerWaalsContact C-N 3.3Å; F310-S312 PolarHBondContact O-N 3.01Å; F310-L313 WeakPolarHBondContact O-CB 3.27Å; F310-L313 PolarHBondContact O-N 3.35Å; F310-L313 VanDerWaalsContact O-N 3.14Å; F310-L314 HydrophobicContact CD1-CD1 3.9Å; F310-L314 HydrophobicContact CD1-CG 4.23Å; F310-L314 HydrophobicContact CE1-CD1 3.52Å; F310-L314 HydrophobicContact CE1-CD2 4.29Å; F310-L314 HydrophobicContact CE1-CG 3.89Å; F310-L314 HydrophobicContact CZ-CD1 4.21Å; F310-L314 HydrophobicContact CZ-CD2 4.13Å; F310-L314 HydrophobicContact CZ-CG 4.15Å; F310-L314 PolarHBondContact O-N 3.49Å
311	A	94.3	Very high	92.9	Very high	35 Å²	35	41.9 Å²	41.9	29%	0.289	24%	0.237	S	C	.	.	H	α-helix	trans	-61.8	-36.7	173.7	0	0	0	0	0	112.2	G307 F308 I309 L313 L314 E315 F425	G307-A311 VanDerWaalsContact O-CB 3.31Å; G307-A311 WeakPolarHBondContact O-CB 3.47Å; G307-A311 PolarHBondContact O-N 2.76Å; F308-A311 PolarHBondContact O-N 3.5Å; I309-A311 PolarHBondContact O-N 3.13Å; A311-L313 VanDerWaalsContact C-N 3.33Å; A311-L313 PolarHBondContact O-N 2.82Å; A311-L314 PolarHBondContact O-N 3.07Å; A311-E315 WeakPolarHBondContact O-CB 3.48Å; A311-E315 PolarHBondContact O-N 3.16Å; A311-F425 HydrophobicContact CB-CE1 3.74Å; A311-F425 HydrophobicContact CB-CZ 4.04Å
312	S	92.3	Very high	92.5	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.035	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-36.2	173.5	77.9	0	0	0	0	112.6	F308 I309 F310 L316	F308-S312 PolarHBondContact O-N 3.41Å; I309-S312 WeakPolarHBondContact O-CB 3.17Å; I309-S312 PolarHBondContact O-N 3.34Å; I309-S312 VanDerWaalsContact O-N 3.16Å; I309-S312 PolarHBondContact O-OG 3.34Å; F310-S312 VanDerWaalsContact C-N 3.3Å; F310-S312 PolarHBondContact O-N 3.01Å; S312-L316 WeakPolarHBondContact O-CB 3.37Å; S312-L316 PolarHBondContact O-N 3.36Å
313	L	93.4	Very high	92	Very high	33 Å²	33	45 Å²	45	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-72	-35.6	175	-70.5	175	0	0	0	112.4	V272 L275 I309 F310 A311 L316 A317	V272-L313 HydrophobicContact CG2-CD2 4.41Å; L275-L313 HydrophobicContact CD2-CD1 4.19Å; I309-L313 PolarHBondContact O-N 3.48Å; F310-L313 WeakPolarHBondContact O-CB 3.27Å; F310-L313 PolarHBondContact O-N 3.35Å; F310-L313 VanDerWaalsContact O-N 3.14Å; A311-L313 VanDerWaalsContact C-N 3.33Å; A311-L313 PolarHBondContact O-N 2.82Å; L313-L316 PolarHBondContact O-N 3.24Å; L313-A317 WeakPolarHBondContact O-CB 3.33Å; L313-A317 PolarHBondContact O-N 3.45Å
314	L	93.5	Very high	91.5	Very high	96 Å²	96	47.3 Å²	47.3	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-66.3	-40.7	173.6	-74.9	179.7	0	0	0	111.8	F310 A311 A317 F318	F310-L314 HydrophobicContact CD1-CD1 3.9Å; F310-L314 HydrophobicContact CD1-CG 4.23Å; F310-L314 HydrophobicContact CE1-CD1 3.52Å; F310-L314 HydrophobicContact CE1-CD2 4.29Å; F310-L314 HydrophobicContact CE1-CG 3.89Å; F310-L314 HydrophobicContact CZ-CD1 4.21Å; F310-L314 HydrophobicContact CZ-CD2 4.13Å; F310-L314 HydrophobicContact CZ-CG 4.15Å; F310-L314 PolarHBondContact O-N 3.49Å; A311-L314 PolarHBondContact O-N 3.07Å; L314-A317 PolarHBondContact O-N 2.89Å; L314-F318 WeakPolarHBondContact O-CB 3.25Å; L314-F318 PolarHBondContact O-N 2.9Å
315	E	92.3	Very high	91	Very high	17 Å²	17	49.9 Å²	49.9	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-49.4	172.9	-171.7	-75.1	156	0	0	110.3	F257 A311 A317 F318 V319 V417 S421	F257-E315 HydrophobicContact CE1-CG 4.4Å; F257-E315 WeakPolarHBondContact CE1-OE2 3.14Å; A311-E315 WeakPolarHBondContact O-CB 3.48Å; A311-E315 PolarHBondContact O-N 3.16Å; E315-A317 VanDerWaalsContact C-N 3.33Å; E315-A317 PolarHBondContact O-N 2.89Å; E315-F318 WeakPolarHBondContact O-CA 3.43Å; E315-F318 WeakPolarHBondContact O-CB 3.47Å; E315-F318 PolarHBondContact O-N 2.86Å; E315-V319 WeakPolarHBondContact O-CG2 3.49Å; E315-V319 PolarHBondContact O-N 2.91Å; E315-V319 WeakPolarHBondContact OE1-CG2 3.42Å; E315-V417 HydrophobicContact CG-CG1 4.38Å; E315-V417 VanDerWaalsContact OE1-CG1 3.27Å; E315-V417 WeakPolarHBondContact OE1-CG1 3.32Å; E315-S421 WeakPolarHBondContact CG-OG 3.26Å
316	L	90.6	Very high	90	Very high	12 Å²	12	52 Å²	52	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-44	176.5	-179.8	63.4	0	0	0	112.3	L264 R267 I268 S312 L313 F318 V319 A320	L264-L316 HydrophobicContact CD1-CD1 3.77Å; L264-L316 HydrophobicContact CD1-CG 4.13Å; R267-L316 HydrophobicContact CB-CD1 3.63Å; R267-L316 HydrophobicContact CB-CD2 3.86Å; R267-L316 HydrophobicContact CB-CG 4.42Å; R267-L316 VanDerWaalsContact CD-CD1 3.48Å; R267-L316 HydrophobicContact CG-CD1 4.23Å; I268-L316 HydrophobicContact CB-CD2 4.31Å; I268-L316 HydrophobicContact CG1-CD2 3.59Å; S312-L316 WeakPolarHBondContact O-CB 3.37Å; S312-L316 PolarHBondContact O-N 3.36Å; L313-L316 PolarHBondContact O-N 3.24Å; L316-F318 VanDerWaalsContact C-N 3.31Å; L316-F318 PolarHBondContact O-N 2.78Å; L316-V319 PolarHBondContact O-N 2.77Å; L316-A320 WeakPolarHBondContact O-CB 3.48Å; L316-A320 PolarHBondContact O-N 3.1Å
317	A	91.5	Very high	89.2	Confident	57 Å²	57	54.6 Å²	54.6	47%	0.471	28%	0.283	S	S	.	.	H	α-helix	trans	-64.1	-38	176.9	0	0	0	0	0	111.7	L313 L314 E315 Y321	L313-A317 WeakPolarHBondContact O-CB 3.33Å; L313-A317 PolarHBondContact O-N 3.45Å; L314-A317 PolarHBondContact O-N 2.89Å; E315-A317 VanDerWaalsContact C-N 3.33Å; E315-A317 PolarHBondContact O-N 2.89Å; A317-Y321 VanDerWaalsContact O-CB 3.31Å; A317-Y321 WeakPolarHBondContact O-CB 3.5Å; A317-Y321 PolarHBondContact O-N 3.34Å
318	F	90.8	Very high	88.6	Confident	97 Å²	97	57.8 Å²	57.8	43%	0.425	29%	0.29	S	S	.	.	H	α-helix	trans	-66.3	-47.4	176.2	178.2	-97.9	0	0	0	111.8	L314 E315 L316 A320 Y321 Q322	L314-F318 WeakPolarHBondContact O-CB 3.25Å; L314-F318 PolarHBondContact O-N 2.9Å; E315-F318 WeakPolarHBondContact O-CA 3.43Å; E315-F318 WeakPolarHBondContact O-CB 3.47Å; E315-F318 PolarHBondContact O-N 2.86Å; L316-F318 VanDerWaalsContact C-N 3.31Å; L316-F318 PolarHBondContact O-N 2.78Å; F318-A320 PolarHBondContact O-N 2.75Å; F318-Y321 PolarHBondContact O-N 3.1Å; F318-Q322 HydrophobicContact CD1-CG 4.39Å; F318-Q322 HydrophobicContact CE1-CG 4.03Å; F318-Q322 HydrophobicContact CE2-CG 4.29Å; F318-Q322 HydrophobicContact CZ-CG 3.98Å; F318-Q322 WeakPolarHBondContact O-CG 3.16Å; F318-Q322 PolarHBondContact O-N 3.15Å
319	V	89	Confident	87.7	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-48.9	175.4	173.1	0	0	0	0	110.3	T261 E315 L316 Y321 Q322 D323 V417	T261-V319 HydrophobicContact CG2-CG1 4.26Å; E315-V319 WeakPolarHBondContact O-CG2 3.49Å; E315-V319 PolarHBondContact O-N 2.91Å; E315-V319 WeakPolarHBondContact OE1-CG2 3.42Å; L316-V319 PolarHBondContact O-N 2.77Å; V319-Y321 VanDerWaalsContact C-N 3.32Å; V319-Y321 PolarHBondContact O-N 2.85Å; V319-Q322 PolarHBondContact O-N 2.96Å; V319-D323 PolarHBondContact O-N 2.75Å; V319-V417 HydrophobicContact CG2-CB 4.18Å; V319-V417 HydrophobicContact CG2-CG1 4.09Å
320	A	87.5	Confident	86.5	Confident	27 Å²	27	62.1 Å²	62.1	22%	0.223	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-38.4	178.1	0	0	0	0	0	113	L264 L316 F318 K324	L264-A320 HydrophobicContact CD1-CB 3.98Å; L264-A320 HydrophobicContact CD2-CB 4.11Å; L316-A320 WeakPolarHBondContact O-CB 3.48Å; L316-A320 PolarHBondContact O-N 3.1Å; F318-A320 PolarHBondContact O-N 2.75Å; A320-K324 WeakPolarHBondContact O-CB 3.5Å; A320-K324 PolarHBondContact O-N 2.87Å
321	Y	88.3	Confident	85.2	Confident	139 Å²	139	58.6 Å²	58.6	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-65.7	-43.4	176.1	176.7	-97.4	0	0	0	112	A317 F318 V319 K324 K325	A317-Y321 VanDerWaalsContact O-CB 3.31Å; A317-Y321 WeakPolarHBondContact O-CB 3.5Å; A317-Y321 PolarHBondContact O-N 3.34Å; F318-Y321 PolarHBondContact O-N 3.1Å; V319-Y321 VanDerWaalsContact C-N 3.32Å; V319-Y321 PolarHBondContact O-N 2.85Å; Y321-K324 PolarHBondContact O-N 2.87Å; Y321-K325 HydrophobicContact CE1-CD 4.07Å; Y321-K325 WeakPolarHBondContact O-CB 3.47Å; Y321-K325 PolarHBondContact O-N 2.82Å
322	Q	86.7	Confident	84.1	Confident	39 Å²	39	64.9 Å²	64.9	18%	0.182	33%	0.327	C	S	.	.	H	α-helix	trans	-65.5	-43.5	178.3	-67.2	-66.9	4	0	0	111.5	F318 V319 K324 K325 L326 F413	F318-Q322 HydrophobicContact CD1-CG 4.39Å; F318-Q322 HydrophobicContact CE1-CG 4.03Å; F318-Q322 HydrophobicContact CE2-CG 4.29Å; F318-Q322 HydrophobicContact CZ-CG 3.98Å; F318-Q322 WeakPolarHBondContact O-CG 3.16Å; F318-Q322 PolarHBondContact O-N 3.15Å; V319-Q322 PolarHBondContact O-N 2.96Å; Q322-K324 VanDerWaalsContact C-N 3.33Å; Q322-K324 PolarHBondContact O-N 2.79Å; Q322-K325 PolarHBondContact O-N 3.24Å; Q322-L326 WeakPolarHBondContact O-CB 3.39Å; Q322-L326 WeakPolarHBondContact O-CD1 3.31Å; Q322-L326 WeakPolarHBondContact O-CG 3.09Å; Q322-L326 PolarHBondContact O-N 2.88Å; Q322-F413 HydrophobicContact CB-CD1 4.48Å; Q322-F413 HydrophobicContact CB-CE1 4.24Å; Q322-F413 HydrophobicContact CG-CE1 4.11Å
323	D	83.1	Confident	82.7	Confident	30 Å²	30	66.9 Å²	66.9	16%	0.16	34%	0.341	C	S	.	.	H	α-helix	trans	-56.7	-47.9	174.8	-75.2	-12.8	0	0	0	110.9	V319 L326 I327	V319-D323 PolarHBondContact O-N 2.75Å; D323-L326 PolarHBondContact O-N 3.11Å; D323-I327 WeakPolarHBondContact O-CD1 3.49Å; D323-I327 VanDerWaalsContact O-CG1 3.24Å; D323-I327 WeakPolarHBondContact O-CG1 3.5Å; D323-I327 PolarHBondContact O-N 2.92Å
324	K	83.9	Confident	81.3	Confident	137 Å²	137	68.9 Å²	68.9	60%	0.596	35%	0.352	S	S	*	.	H	α-helix	trans	-62	-47.8	176.8	-175.6	178.4	179.7	178.6	0	112.5	A320 Y321 Q322 L326 I327 L328	A320-K324 WeakPolarHBondContact O-CB 3.5Å; A320-K324 PolarHBondContact O-N 2.87Å; Y321-K324 PolarHBondContact O-N 2.87Å; Q322-K324 VanDerWaalsContact C-N 3.33Å; Q322-K324 PolarHBondContact O-N 2.79Å; K324-L326 PolarHBondContact O-N 2.92Å; K324-I327 PolarHBondContact O-N 3.39Å; K324-L328 HydrophobicContact CG-CD1 4.25Å; K324-L328 WeakPolarHBondContact O-CG 3.39Å; K324-L328 PolarHBondContact O-N 3.2Å
325	K	83.9	Confident	80.2	Confident	84 Å²	84	66.8 Å²	66.8	37%	0.365	35%	0.348	S	S	.	.	H	α-helix	trans	-58.7	-38.8	-179.7	-178.1	177.2	-179.4	177.7	0	111.3	Y321 Q322 K329	Y321-K325 HydrophobicContact CE1-CD 4.07Å; Y321-K325 WeakPolarHBondContact O-CB 3.47Å; Y321-K325 PolarHBondContact O-N 2.82Å; Q322-K325 PolarHBondContact O-N 3.24Å; K325-K329 WeakPolarHBondContact O-CG 3.4Å; K325-K329 PolarHBondContact O-N 2.86Å; K325-K329 VanDerWaalsContact O-N 3.12Å
326	L	75	Confident	79	Confident	44 Å²	44	68.8 Å²	68.8	23%	0.23	37%	0.368	C	S	.	.	H	α-helix	trans	-76.7	-37.7	-178.8	-68	163.3	0	0	0	112.4	Q322 D323 K324 L328 K329 S330 L410	Q322-L326 WeakPolarHBondContact O-CB 3.39Å; Q322-L326 WeakPolarHBondContact O-CD1 3.31Å; Q322-L326 WeakPolarHBondContact O-CG 3.09Å; Q322-L326 PolarHBondContact O-N 2.88Å; D323-L326 PolarHBondContact O-N 3.11Å; K324-L326 PolarHBondContact O-N 2.92Å; L326-L328 VanDerWaalsContact C-N 3.35Å; L326-L328 PolarHBondContact O-N 3.28Å; L326-K329 PolarHBondContact O-N 2.99Å; L326-S330 PolarHBondContact O-N 3Å; L326-L410 HydrophobicContact CB-CD1 3.71Å; L326-L410 HydrophobicContact CB-CD2 3.38Å; L326-L410 HydrophobicContact CB-CG 4.14Å; L326-L410 HydrophobicContact CD1-CD2 3.51Å; L326-L410 HydrophobicContact CD2-CD2 4Å; L326-L410 HydrophobicContact CG-CD2 3.78Å
327	I	78	Confident	77.7	Confident	104 Å²	104	71.7 Å²	71.7	53%	0.533	38%	0.382	S	S	.	.	H	α-helix	trans	-58.2	-46.3	170.2	-69	164.1	0	0	0	110.6	D323 K324 K329 S330 G331 L410	D323-I327 WeakPolarHBondContact O-CD1 3.49Å; D323-I327 VanDerWaalsContact O-CG1 3.24Å; D323-I327 WeakPolarHBondContact O-CG1 3.5Å; D323-I327 PolarHBondContact O-N 2.92Å; K324-I327 PolarHBondContact O-N 3.39Å; I327-K329 PolarHBondContact O-N 2.8Å; I327-S330 WeakPolarHBondContact O-CB 3.34Å; I327-S330 PolarHBondContact O-N 2.91Å; I327-S330 VanDerWaalsContact O-N 3.12Å; I327-G331 PolarHBondContact O-N 2.88Å; I327-L410 HydrophobicContact CG1-CD1 4.5Å
328	L	81.2	Confident	76.5	Confident	104 Å²	104	72 Å²	72	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-62.2	-41.1	177.8	-69.6	172.2	0	0	0	112.5	K324 L326 S330 G331 K332	K324-L328 HydrophobicContact CG-CD1 4.25Å; K324-L328 WeakPolarHBondContact O-CG 3.39Å; K324-L328 PolarHBondContact O-N 3.2Å; L326-L328 VanDerWaalsContact C-N 3.35Å; L326-L328 PolarHBondContact O-N 3.28Å; L328-S330 VanDerWaalsContact C-N 3.31Å; L328-S330 PolarHBondContact O-N 2.89Å; L328-G331 PolarHBondContact O-N 3.29Å; L328-K332 PolarHBondContact O-N 3.14Å
329	K	78.2	Confident	75.3	Confident	120 Å²	120	70.8 Å²	70.8	52%	0.522	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-35.8	173.4	-77.1	-176.2	176.2	-171.6	0	112.2	K325 L326 I327 S333	K325-K329 WeakPolarHBondContact O-CG 3.4Å; K325-K329 PolarHBondContact O-N 2.86Å; K325-K329 VanDerWaalsContact O-N 3.12Å; L326-K329 PolarHBondContact O-N 2.99Å; I327-K329 PolarHBondContact O-N 2.8Å; K329-S333 WeakPolarHBondContact O-CB 3.47Å; K329-S333 PolarHBondContact O-N 2.85Å; K329-S333 VanDerWaalsContact O-N 3.12Å
330	S	67.8	Low	74.2	Confident	7 Å²	7	75.7 Å²	75.7	5%	0.049	41%	0.407	C	S	.	.	H	α-helix	trans	-66.6	-42.5	173.8	-163.2	0	0	0	0	111.8	L326 I327 L328 K332 S333 N334	L326-S330 PolarHBondContact O-N 3Å; I327-S330 WeakPolarHBondContact O-CB 3.34Å; I327-S330 PolarHBondContact O-N 2.91Å; I327-S330 VanDerWaalsContact O-N 3.12Å; L328-S330 VanDerWaalsContact C-N 3.31Å; L328-S330 PolarHBondContact O-N 2.89Å; S330-K332 PolarHBondContact O-N 2.97Å; S330-S333 PolarHBondContact O-N 2.83Å; S330-N334 WeakPolarHBondContact O-CB 3.2Å; S330-N334 PolarHBondContact O-N 2.87Å; S330-N334 PolarHBondContact O-OD1 3.31Å
331	G	67.2	Low	73.2	Confident	40 Å²	40	76.7 Å²	76.7	41%	0.412	41%	0.41	S	S	.	.	H	α-helix	trans	-60.1	-44.8	176.4	0	0	0	0	0	112.8	I327 L328 N334 A335	I327-G331 PolarHBondContact O-N 2.88Å; L328-G331 PolarHBondContact O-N 3.29Å; G331-N334 PolarHBondContact O-N 2.75Å; G331-A335 PolarHBondContact O-N 2.83Å
332	K	72	Confident	72.2	Confident	166 Å²	166	72.8 Å²	72.8	72%	0.722	40%	0.404	S	S	*	.	H	α-helix	trans	-63.6	-41.1	175.5	-71.7	-174	178	-172.9	0	113	L328 S330 N334 A335 A336	L328-K332 PolarHBondContact O-N 3.14Å; S330-K332 PolarHBondContact O-N 2.97Å; K332-N334 VanDerWaalsContact C-N 3.35Å; K332-A335 PolarHBondContact O-N 2.87Å; K332-A336 WeakPolarHBondContact O-CB 3.28Å; K332-A336 PolarHBondContact O-N 3.17Å
333	S	63.6	Low	71	Confident	47 Å²	47	78.8 Å²	78.8	33%	0.329	43%	0.426	S	S	.	.	H	α-helix	trans	-62.8	-42.5	175.2	-169.5	0	0	0	0	111.4	K329 S330 A336 I337	K329-S333 WeakPolarHBondContact O-CB 3.47Å; K329-S333 PolarHBondContact O-N 2.85Å; K329-S333 VanDerWaalsContact O-N 3.12Å; S330-S333 PolarHBondContact O-N 2.83Å; S333-A336 PolarHBondContact O-N 2.93Å; S333-I337 WeakPolarHBondContact O-CB 3.4Å; S333-I337 WeakPolarHBondContact O-CD1 2.9Å; S333-I337 WeakPolarHBondContact O-CG1 3.42Å; S333-I337 PolarHBondContact O-N 3.32Å
334	N	63.4	Low	70.2	Confident	76 Å²	76	82.7 Å²	82.7	41%	0.406	45%	0.446	S	S	.	.	H	α-helix	trans	-64	-41.7	176.4	-69.2	-5.9	0	0	0	111.2	S330 G331 K332 S338	S330-N334 WeakPolarHBondContact O-CB 3.2Å; S330-N334 PolarHBondContact O-N 2.87Å; S330-N334 PolarHBondContact O-OD1 3.31Å; G331-N334 PolarHBondContact O-N 2.75Å; K332-N334 VanDerWaalsContact C-N 3.35Å; N334-S338 WeakPolarHBondContact O-CB 3.36Å; N334-S338 PolarHBondContact O-N 2.84Å
335	A	69.5	Low	69	Low	52 Å²	52	83.1 Å²	83.1	43%	0.43	45%	0.448	S	S	.	.	H	α-helix	trans	-63.6	-48.7	175.5	0	0	0	0	0	112	G331 K332 I337 S338 T339	G331-A335 PolarHBondContact O-N 2.83Å; K332-A335 PolarHBondContact O-N 2.87Å; A335-I337 VanDerWaalsContact C-N 3.31Å; A335-I337 PolarHBondContact O-N 3.15Å; A335-S338 WeakPolarHBondContact CA-OG 3.29Å; A335-S338 WeakPolarHBondContact O-CB 3.42Å; A335-S338 PolarHBondContact O-N 2.98Å; A335-S338 VanDerWaalsContact O-N 3.08Å; A335-S338 PolarHBondContact O-OG 2.92Å; A335-T339 PolarHBondContact O-N 2.85Å; A335-T339 PolarHBondContact O-OG1 2.96Å
336	A	68.6	Low	67.7	Low	59 Å²	59	87 Å²	87	49%	0.488	47%	0.467	S	S	.	.	H	α-helix	trans	-60.8	-38.4	178.2	0	0	0	0	0	112.8	K332 S333 T339 L340	K332-A336 WeakPolarHBondContact O-CB 3.28Å; K332-A336 PolarHBondContact O-N 3.17Å; S333-A336 PolarHBondContact O-N 2.93Å; A336-T339 WeakPolarHBondContact CA-OG1 3.38Å; A336-T339 PolarHBondContact O-OG1 2.95Å; A336-L340 WeakPolarHBondContact O-CB 3.3Å; A336-L340 PolarHBondContact O-N 2.98Å
337	I	63	Low	66.3	Low	72 Å²	72	93.4 Å²	93.4	37%	0.369	49%	0.493	S	S	.	.	H	α-helix	trans	-70.4	-37.2	174.5	-67	165.1	0	0	0	110.7	S333 A335 L340 V341	S333-I337 WeakPolarHBondContact O-CB 3.4Å; S333-I337 WeakPolarHBondContact O-CD1 2.9Å; S333-I337 WeakPolarHBondContact O-CG1 3.42Å; S333-I337 PolarHBondContact O-N 3.32Å; A335-I337 VanDerWaalsContact C-N 3.31Å; A335-I337 PolarHBondContact O-N 3.15Å; I337-L340 PolarHBondContact O-N 2.84Å; I337-V341 HydrophobicContact CG2-CG2 4.41Å; I337-V341 WeakPolarHBondContact O-CG2 3.42Å; I337-V341 PolarHBondContact O-N 3.3Å
338	S	65.8	Low	64.6	Low	63 Å²	63	96.7 Å²	96.7	44%	0.441	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-40.8	175.8	75.6	0	0	0	0	112.1	N334 A335 S342	N334-S338 WeakPolarHBondContact O-CB 3.36Å; N334-S338 PolarHBondContact O-N 2.84Å; A335-S338 WeakPolarHBondContact CA-OG 3.29Å; A335-S338 WeakPolarHBondContact O-CB 3.42Å; A335-S338 PolarHBondContact O-N 2.98Å; A335-S338 VanDerWaalsContact O-N 3.08Å; A335-S338 PolarHBondContact O-OG 2.92Å; S338-S342 PolarHBondContact O-N 2.77Å
339	T	66.1	Low	62.6	Low	73 Å²	73	96.6 Å²	96.6	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-65.6	-45.8	172.3	23	0	0	0	0	111.2	A335 A336 V341 S342 Y343	A335-T339 PolarHBondContact O-N 2.85Å; A335-T339 PolarHBondContact O-OG1 2.96Å; A336-T339 WeakPolarHBondContact CA-OG1 3.38Å; A336-T339 PolarHBondContact O-OG1 2.95Å; T339-V341 VanDerWaalsContact C-N 3.33Å; T339-V341 PolarHBondContact O-N 3.29Å; T339-S342 WeakPolarHBondContact CA-OG 3.09Å; T339-S342 PolarHBondContact O-N 2.8Å; T339-S342 VanDerWaalsContact O-N 3.14Å; T339-S342 PolarHBondContact O-OG 2.81Å; T339-Y343 WeakPolarHBondContact O-CD2 3.39Å; T339-Y343 PolarHBondContact O-N 3.08Å
340	L	66.4	Low	60.3	Low	106 Å²	106	100.1 Å²	100.1	56%	0.555	52%	0.523	S	S	*	.	H	α-helix	trans	-58	-43.3	177.2	-169.9	78.3	0	0	0	112.4	A336 I337 Y343 L344	A336-L340 WeakPolarHBondContact O-CB 3.3Å; A336-L340 PolarHBondContact O-N 2.98Å; I337-L340 PolarHBondContact O-N 2.84Å; L340-Y343 WeakPolarHBondContact O-CB 3.4Å; L340-Y343 PolarHBondContact O-N 3.48Å; L340-L344 HydrophobicContact CG-CD1 4.36Å; L340-L344 PolarHBondContact O-N 2.94Å
341	V	66.1	Low	58.7	Low	48 Å²	48	108 Å²	108	29%	0.291	56%	0.559	S	S	.	*	H	α-helix	trans	-66.7	-37.4	176.8	169.9	0	0	0	0	111.7	I337 T339 Y343 L344 K345	I337-V341 HydrophobicContact CG2-CG2 4.41Å; I337-V341 WeakPolarHBondContact O-CG2 3.42Å; I337-V341 PolarHBondContact O-N 3.3Å; T339-V341 VanDerWaalsContact C-N 3.33Å; T339-V341 PolarHBondContact O-N 3.29Å; V341-Y343 VanDerWaalsContact C-N 3.3Å; V341-Y343 PolarHBondContact O-N 2.96Å; V341-L344 PolarHBondContact O-N 2.92Å; V341-K345 PolarHBondContact O-N 2.79Å
342	S	65.8	Low	56.9	Low	58 Å²	58	112.8 Å²	112.8	41%	0.406	58%	0.575	S	S	.	*	H	α-helix	trans	-64.6	-33.5	172.2	71	0	0	0	0	113.1	S338 T339 H346	S338-S342 PolarHBondContact O-N 2.77Å; T339-S342 WeakPolarHBondContact CA-OG 3.09Å; T339-S342 PolarHBondContact O-N 2.8Å; T339-S342 VanDerWaalsContact O-N 3.14Å; T339-S342 PolarHBondContact O-OG 2.81Å; S342-H346 PolarHBondContact O-ND1 2.86Å
343	Y	63.3	Low	54.9	Low	164 Å²	164	110.6 Å²	110.6	64%	0.643	58%	0.576	S	S	*	*	H	α-helix	trans	-69.2	-43.6	173.8	-95.6	-81.1	0	0	0	111.8	T339 L340 V341 K345 H346	T339-Y343 WeakPolarHBondContact O-CD2 3.39Å; T339-Y343 PolarHBondContact O-N 3.08Å; L340-Y343 WeakPolarHBondContact O-CB 3.4Å; L340-Y343 PolarHBondContact O-N 3.48Å; V341-Y343 VanDerWaalsContact C-N 3.3Å; V341-Y343 PolarHBondContact O-N 2.96Å; Y343-K345 VanDerWaalsContact C-N 3.29Å; Y343-K345 PolarHBondContact O-N 3.46Å; Y343-H346 PolarHBondContact O-N 2.83Å; Y343-H346 VanDerWaalsContact O-N 3.12Å
344	L	65.6	Low	53.3	Low	113 Å²	113	113.2 Å²	113.2	59%	0.592	59%	0.594	S	S	*	*	H	α-helix	trans	-63.2	-35.4	177.3	-76.6	165	0	0	0	112	L340 V341 H346 F347	L340-L344 HydrophobicContact CG-CD1 4.36Å; L340-L344 PolarHBondContact O-N 2.94Å; V341-L344 PolarHBondContact O-N 2.92Å; L344-H346 PolarHBondContact O-N 2.81Å; L344-F347 PolarHBondContact O-N 3.44Å; L344-F347 VanDerWaalsContact O-N 3.11Å
345	K	58	Low	51.7	Low	146 Å²	146	114.5 Å²	114.5	64%	0.635	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-19.7	175.5	-158.9	165.1	-175.6	160.8	0	113.7	V341 Y343 E392	V341-K345 PolarHBondContact O-N 2.79Å; Y343-K345 VanDerWaalsContact C-N 3.29Å; Y343-K345 PolarHBondContact O-N 3.46Å; K345-E392 IonicContact NZ-OE1 3.07Å; K345-E392 PolarHBondContact NZ-OE1 2.83Å
346	H	57.8	Low	50.4	Low	165 Å²	165	118.1 Å²	118.1	76%	0.764	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-11.7	175.1	-77	76.9	0	0	0	113.6	S342 Y343 L344 E348	S342-H346 PolarHBondContact O-ND1 2.86Å; Y343-H346 PolarHBondContact O-N 2.83Å; Y343-H346 VanDerWaalsContact O-N 3.12Å; L344-H346 PolarHBondContact O-N 2.81Å; H346-E348 PolarHBondContact O-N 2.79Å
347	F	45.3	Very low	48.8	Very low	179 Å²	179	121 Å²	121	79%	0.785	64%	0.642	S	S	*	*			trans	-88.6	68.4	168.7	-93.6	-90.4	0	0	0	108.8	L344	L344-F347 PolarHBondContact O-N 3.44Å; L344-F347 VanDerWaalsContact O-N 3.11Å
348	E	40.9	Very low	47.5	Very low	172 Å²	172	123.5 Å²	123.5	80%	0.804	66%	0.662	S	S	*	*			trans	-66.9	126.8	163	-157.8	158.1	-156.6	0	0	107.2	H346 Y350	H346-E348 PolarHBondContact O-N 2.79Å; E348-Y350 PolarHBondContact O-N 3.45Å; E348-Y350 VanDerWaalsContact O-N 3.17Å
349	P	40.8	Very low	46.1	Very low	102 Å²	102	126.2 Å²	126.2	66%	0.662	68%	0.679	S	S	*	*			trans	-63.8	123.4	-171.5	23.9	-30.3	0	0	0	109.2	H351	P349-H351 PolarHBondContact O-N 3.04Å
350	Y	28.9	Very low	44.8	Very low	194 Å²	194	127.4 Å²	127.4	76%	0.761	70%	0.696	S	S	*	*			trans	-53	96.6	174.3	-175.2	-92.1	0	0	0	109.3	E348	E348-Y350 PolarHBondContact O-N 3.45Å; E348-Y350 VanDerWaalsContact O-N 3.17Å
351	H	34	Very low	43.3	Very low	174 Å²	174	128.2 Å²	128.2	81%	0.806	71%	0.708	S	S	*	*			trans	-81.7	128.8	170.8	-106.3	-75.8	0	0	0	109.1	P349	P349-H351 PolarHBondContact O-N 3.04Å
352	D	30.6	Very low	41.6	Very low	140 Å²	140	133.6 Å²	133.6	75%	0.749	73%	0.734	S	S	*	*			trans	-50.1	132.9	-173.2	-105.8	-38.7	0	0	0	114	S354	D352-S354 PolarHBondContact O-N 2.85Å
353	V	28.9	Very low	40	Very low	120 Å²	120	138.7 Å²	138.7	73%	0.727	76%	0.757	S	S	*	*			trans	-70.4	113.3	173	176.7	0	0	0	0	108.7
354	S	30.7	Very low	38.3	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	76%	0.761	S	S	*	*			trans	-143.8	108.1	159.4	54.4	0	0	0	0	113.1	D352	D352-S354 PolarHBondContact O-N 2.85Å
355	S	29.3	Very low	36.5	Very low	103 Å²	103	141.4 Å²	141.4	72%	0.72	77%	0.769	S	S	*	*			trans	53.8	128.2	152.3	55.7	0	0	0	0	121.6
356	P	42.4	Very low	34.9	Very low	127 Å²	127	144.2 Å²	144.2	83%	0.825	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-91.6	141.7	-178	35.3	-31.9	0	0	0	113.4
357	P	36.2	Very low	33.5	Very low	121 Å²	121	142.4 Å²	142.4	79%	0.786	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-95.1	166.8	164.5	8.5	12.4	0	0	0	112.6
358	P	35.3	Very low	32.5	Very low	123 Å²	123	141.6 Å²	141.6	80%	0.799	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-93.1	171.1	-142.6	36.2	-35.9	0	0	0	115.3
359	P	35.2	Very low	31.7	Very low	121 Å²	121	138.5 Å²	138.5	79%	0.786	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-90.4	159.8	-173.1	34.8	-32.8	0	0	0	115
360	A	40.1	Very low	30.9	Very low	97 Å²	97	145.1 Å²	145.1	80%	0.802	80%	0.797	S	S	*	*			trans	79.5	152.1	161.6	0	0	0	0	0	116.4
361	P	35.2	Very low	30.8	Very low	124 Å²	124	142 Å²	142	81%	0.805	80%	0.798	S	S	*	*			cis	-135.6	160	29.5	38.2	-18.1	0	0	0	118
362	L	28.8	Very low	30.2	Very low	161 Å²	161	139.7 Å²	139.7	84%	0.843	80%	0.796	S	S	*	*			trans	-65.3	132.7	158.5	-67.9	154.4	0	0	0	108.7
363	D	33.3	Very low	30.2	Very low	165 Å²	165	138.7 Å²	138.7	88%	0.882	80%	0.8	S	S	*	*			trans	-167.2	142.2	138.8	-103.1	-30	0	0	0	114
364	E	26.7	Very low	30	Very low	156 Å²	156	139.3 Å²	139.3	73%	0.729	81%	0.805	S	S	*	*			trans	-74.9	143.1	179.7	-49.6	171.3	122.8	0	0	112
365	K	28.8	Very low	29.9	Very low	177 Å²	177	137.9 Å²	137.9	77%	0.77	81%	0.806	S	S	*	*				155.8	125.5	116.7	-87.4	158.2	-177.4	163.8	0	113.3
366	K	24.7	Very low	29.8	Very low	206 Å²	206	138.3 Å²	138.3	90%	0.896	80%	0.804	S	S	*	*			trans	20.1	122.4	138.8	-71.5	175.9	174.2	175.7	0	117.9
367	S	27	Very low	29.1	Very low	127 Å²	127	139.9 Å²	139.9	89%	0.888	81%	0.806	S	S	*	*				-175.1	153.6	109	-177	0	0	0	0	111.8
368	M	25.2	Very low	28.8	Very low	162 Å²	162	145.1 Å²	145.1	80%	0.798	81%	0.81	S	S	*	*			trans	-91.4	139.7	-163	-179.5	169.4	61.8	0	0	113.2
369	S	23.8	Very low	28.4	Very low	106 Å²	106	145 Å²	145	74%	0.741	81%	0.812	S	S	*	*			trans	66.1	138.8	143.4	-58.3	0	0	0	0	122.9
370	R	24.7	Very low	28.3	Very low	242 Å²	242	150.4 Å²	150.4	91%	0.913	82%	0.817	S	S	*	*			trans	74.9	117.6	170.8	-68.6	178.1	174.6	158	-1.7	114.2
371	T	25.1	Very low	28.1	Very low	129 Å²	129	151 Å²	151	79%	0.791	82%	0.815	S	S	*	*				-165.8	148	69	-62	0	0	0	0	111.6
372	T	23.1	Very low	28.1	Very low	124 Å²	124	153.6 Å²	153.6	76%	0.761	82%	0.816	S	S	*	*			trans	-19.4	124.6	163.3	-17.4	0	0	0	0	118.7
373	S	29.4	Very low	28.6	Very low	119 Å²	119	154 Å²	154	83%	0.832	82%	0.818	S	S	*	*				-176.1	111.9	129.5	59.1	0	0	0	0	110.4	G375	S373-G375 PolarHBondContact O-N 3.39Å
374	T	25.4	Very low	29.2	Very low	134 Å²	134	154.2 Å²	154.2	82%	0.822	82%	0.819	S	S	*	*			trans	-84.4	94.5	-175.2	-36.6	0	0	0	0	109.6
375	G	28.8	Very low	30.3	Very low	71 Å²	71	149 Å²	149	73%	0.732	81%	0.808	S	S	*	*			trans	-113.7	92.7	174.2	0	0	0	0	0	110.2	S373 N377	S373-G375 PolarHBondContact O-N 3.39Å; G375-N377 PolarHBondContact O-N 2.92Å
376	T	26.2	Very low	31.2	Very low	112 Å²	112	145.8 Å²	145.8	69%	0.687	80%	0.798	S	S	*	*			trans	-78.7	75.2	-173.5	-34.2	0	0	0	0	111.2	R378	T376-R378 PolarHBondContact O-N 3.03Å; T376-R378 VanDerWaalsContact O-N 3.13Å
377	N	28.5	Very low	33	Very low	160 Å²	160	142.6 Å²	142.6	86%	0.856	79%	0.791	S	S	*	*			trans	-83.1	88.3	169.5	-83.5	-4.8	0	0	0	110.3	G375 S379	G375-N377 PolarHBondContact O-N 2.92Å; N377-S379 PolarHBondContact O-N 2.74Å
378	R	28.8	Very low	34.7	Very low	231 Å²	231	141.2 Å²	141.2	87%	0.872	78%	0.778	S	S	*	*			trans	-69.9	106.4	157.1	-79.9	178	169.5	175.3	-4.2	108.7	T376	T376-R378 PolarHBondContact O-N 3.03Å; T376-R378 VanDerWaalsContact O-N 3.13Å
379	S	28	Very low	36.9	Very low	121 Å²	121	140.2 Å²	140.2	85%	0.846	77%	0.769	S	S	*	*			trans	-175.9	63.1	146.1	59	0	0	0	0	107.8	N377	N377-S379 PolarHBondContact O-N 2.74Å
380	R	32.7	Very low	39.5	Very low	235 Å²	235	139.2 Å²	139.2	89%	0.887	76%	0.755	S	S	*	*	S	Bend	trans	-112.6	112.1	173	-179.2	174.2	141.7	144.5	-2.5	106.6
381	S	35.7	Very low	42	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	74%	0.736	S	S	*	*			trans	61.2	81.4	151.7	-169.3	0	0	0	0	115.8
382	E	34.7	Very low	44.4	Very low	180 Å²	180	130.9 Å²	130.9	84%	0.841	72%	0.72	S	S	*	*			trans	-127	10.2	162.2	-80.6	-172.2	149.5	0	0	113.5
383	L	40	Very low	47.1	Very low	168 Å²	168	131.3 Å²	131.3	88%	0.88	71%	0.714	S	S	*	*	S	Bend	trans	-112.5	16.2	-171.5	-144.7	82.9	0	0	0	116.8
384	D	45.7	Very low	49.5	Very low	170 Å²	170	132.3 Å²	132.3	91%	0.909	71%	0.705	S	S	*	*	S	Bend	trans	-132.8	25.1	-178.8	-149.2	21.5	0	0	0	114.4
385	G	49	Very low	51.9	Low	48 Å²	48	129 Å²	129	50%	0.495	68%	0.682	S	S	.	*	S	Bend	trans	-130.4	-0.2	178	0	0	0	0	0	115.4
386	L	48.2	Very low	54.3	Low	108 Å²	108	127.4 Å²	127.4	57%	0.565	66%	0.661	S	S	*	*	S	Bend	trans	-86.2	-33.5	-177.4	-97.9	97.9	0	0	0	113.7	T388 D390	L386-T388 PolarHBondContact O-N 2.85Å; L386-D390 PolarHBondContact O-N 3.08Å
387	D	62	Low	56.8	Low	140 Å²	140	126.4 Å²	126.4	75%	0.749	65%	0.649	S	S	*	*	H	α-helix	trans	-76.3	-24.9	-162.6	-148.7	20.2	0	0	0	114.4	L391	D387-L391 VanDerWaalsContact O-CB 3.28Å; D387-L391 WeakPolarHBondContact O-CB 3.45Å
388	T	63.5	Low	59.2	Low	98 Å²	98	126.6 Å²	126.6	60%	0.601	64%	0.639	S	S	*	*	H	α-helix	trans	-85.4	-34.9	179.5	53.5	0	0	0	0	113.3	L386 E392	L386-T388 PolarHBondContact O-N 2.85Å; T388-E392 WeakPolarHBondContact O-CB 3.49Å; T388-E392 VanDerWaalsContact O-CG 3.28Å; T388-E392 WeakPolarHBondContact O-CG 3.49Å; T388-E392 PolarHBondContact O-N 2.82Å
389	K	72.3	Confident	61	Low	140 Å²	140	120.5 Å²	120.5	61%	0.609	62%	0.616	S	S	*	*	H	α-helix	trans	-73.3	-43.8	179.1	-77	-175.2	177.3	177.3	0	111.8	L391 E392 E393	K389-L391 VanDerWaalsContact C-N 3.32Å; K389-L391 PolarHBondContact O-N 2.92Å; K389-E392 PolarHBondContact O-N 3.07Å; K389-E393 PolarHBondContact O-N 2.66Å
390	D	77.8	Confident	63.3	Low	85 Å²	85	120.8 Å²	120.8	46%	0.455	60%	0.602	S	S	.	*	H	α-helix	trans	-62.9	-42.2	178.9	-68.5	-18.2	0	0	0	110.6	L386 E393 E394	L386-D390 PolarHBondContact O-N 3.08Å; D390-E393 PolarHBondContact O-N 2.74Å; D390-E394 WeakPolarHBondContact O-CB 3.44Å; D390-E394 PolarHBondContact O-N 2.84Å
391	L	77.4	Confident	65.5	Low	96 Å²	96	114.3 Å²	114.3	50%	0.503	59%	0.585	S	S	.	*	H	α-helix	trans	-64.6	-40.1	174.2	-174.8	64.5	0	0	0	112.5	D387 K389 E394 I395	D387-L391 VanDerWaalsContact O-CB 3.28Å; D387-L391 WeakPolarHBondContact O-CB 3.45Å; K389-L391 VanDerWaalsContact C-N 3.32Å; K389-L391 PolarHBondContact O-N 2.92Å; L391-E394 PolarHBondContact O-N 3.25Å; L391-I395 HydrophobicContact CD1-CD1 4.06Å; L391-I395 HydrophobicContact CD1-CG1 4.36Å; L391-I395 HydrophobicContact CG-CD1 3.86Å; L391-I395 WeakPolarHBondContact O-CB 3.3Å; L391-I395 WeakPolarHBondContact O-CD1 3.31Å; L391-I395 WeakPolarHBondContact O-CG1 3.47Å; L391-I395 PolarHBondContact O-N 2.98Å
392	E	76	Confident	67.3	Low	100 Å²	100	111.2 Å²	111.2	47%	0.467	57%	0.566	S	S	.	*	H	α-helix	trans	-62.8	-41.2	174.7	-81.3	-177.2	174.3	0	0	111.9	K345 T388 K389 A396	K345-E392 IonicContact NZ-OE1 3.07Å; K345-E392 PolarHBondContact NZ-OE1 2.83Å; T388-E392 WeakPolarHBondContact O-CB 3.49Å; T388-E392 VanDerWaalsContact O-CG 3.28Å; T388-E392 WeakPolarHBondContact O-CG 3.49Å; T388-E392 PolarHBondContact O-N 2.82Å; K389-E392 PolarHBondContact O-N 3.07Å; E392-A396 VanDerWaalsContact O-CB 3.23Å; E392-A396 WeakPolarHBondContact O-CB 3.32Å; E392-A396 PolarHBondContact O-N 3.04Å
393	E	78.7	Confident	68.9	Low	134 Å²	134	107.6 Å²	107.6	63%	0.626	55%	0.545	S	S	*	.	H	α-helix	trans	-67.1	-43.8	176.2	-75	-171.7	-177.3	0	0	112.2	K389 D390 A396 E397	K389-E393 PolarHBondContact O-N 2.66Å; D390-E393 PolarHBondContact O-N 2.74Å; E393-A396 WeakPolarHBondContact O-CB 2.95Å; E393-A396 PolarHBondContact O-N 2.83Å; E393-A396 VanDerWaalsContact O-N 3.16Å; E393-E397 PolarHBondContact O-N 2.82Å
394	E	79.5	Confident	70.5	Confident	139 Å²	139	101.6 Å²	101.6	65%	0.65	52%	0.519	S	S	*	.	H	α-helix	trans	-64.5	-42.9	178.1	-167.8	179.1	-171.7	0	0	111.6	D390 L391 A396 E397 Y398	D390-E394 WeakPolarHBondContact O-CB 3.44Å; D390-E394 PolarHBondContact O-N 2.84Å; L391-E394 PolarHBondContact O-N 3.25Å; E394-A396 VanDerWaalsContact C-N 3.32Å; E394-A396 PolarHBondContact O-N 2.85Å; E394-E397 PolarHBondContact O-N 2.88Å; E394-Y398 WeakPolarHBondContact O-CB 3.26Å; E394-Y398 PolarHBondContact O-N 2.68Å
395	I	77.1	Confident	71.8	Confident	65 Å²	65	100.7 Å²	100.7	33%	0.333	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-38.8	173.6	-68.1	168.7	0	0	0	110.5	L391 R399	L391-I395 HydrophobicContact CD1-CD1 4.06Å; L391-I395 HydrophobicContact CD1-CG1 4.36Å; L391-I395 HydrophobicContact CG-CD1 3.86Å; L391-I395 WeakPolarHBondContact O-CB 3.3Å; L391-I395 WeakPolarHBondContact O-CD1 3.31Å; L391-I395 WeakPolarHBondContact O-CG1 3.47Å; L391-I395 PolarHBondContact O-N 2.98Å; I395-R399 WeakPolarHBondContact O-CB 3.26Å; I395-R399 WeakPolarHBondContact O-CG 3.46Å; I395-R399 PolarHBondContact O-N 2.81Å
396	A	78.6	Confident	72.6	Confident	37 Å²	37	102 Å²	102	31%	0.306	50%	0.495	S	S	.	.	H	α-helix	trans	-65.6	-41.4	176.8	0	0	0	0	0	112.3	E392 E393 E394 R399 K400	E392-A396 VanDerWaalsContact O-CB 3.23Å; E392-A396 WeakPolarHBondContact O-CB 3.32Å; E392-A396 PolarHBondContact O-N 3.04Å; E393-A396 WeakPolarHBondContact O-CB 2.95Å; E393-A396 PolarHBondContact O-N 2.83Å; E393-A396 VanDerWaalsContact O-N 3.16Å; E394-A396 VanDerWaalsContact C-N 3.32Å; E394-A396 PolarHBondContact O-N 2.85Å; A396-R399 WeakPolarHBondContact O-CB 3.32Å; A396-R399 PolarHBondContact O-N 2.78Å; A396-K400 WeakPolarHBondContact O-CG 3.33Å; A396-K400 PolarHBondContact O-N 2.68Å
397	E	79.6	Confident	73.4	Confident	92 Å²	92	101.8 Å²	101.8	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-44.1	174.4	-78.6	-56.4	135.7	0	0	111.7	E393 E394 R399 K400 L401	E393-E397 PolarHBondContact O-N 2.82Å; E394-E397 PolarHBondContact O-N 2.88Å; E397-R399 VanDerWaalsContact C-N 3.26Å; E397-R399 PolarHBondContact O-N 3.04Å; E397-K400 WeakPolarHBondContact O-CB 3.48Å; E397-K400 PolarHBondContact O-N 3.07Å; E397-K400 VanDerWaalsContact O-N 3.1Å; E397-K400 WeakPolarHBondContact OE1-CD 3.24Å; E397-K400 IonicContact OE1-NZ 2.7Å; E397-K400 PolarHBondContact OE1-NZ 3.04Å; E397-L401 WeakPolarHBondContact O-CB 3.41Å; E397-L401 WeakPolarHBondContact O-CG 3.43Å; E397-L401 PolarHBondContact O-N 2.96Å
398	Y	77.4	Confident	73.6	Confident	164 Å²	164	103.3 Å²	103.3	64%	0.643	49%	0.485	S	S	*	.	H	α-helix	trans	-58.8	-39	173.3	-169.3	-89.2	0	0	0	111.6	E394 L401 A402	E394-Y398 WeakPolarHBondContact O-CB 3.26Å; E394-Y398 PolarHBondContact O-N 2.68Å; Y398-L401 PolarHBondContact O-N 2.73Å; Y398-A402 HydrophobicContact CE1-CB 4.42Å; Y398-A402 WeakPolarHBondContact O-CB 3.24Å; Y398-A402 PolarHBondContact O-N 3.3Å
399	R	68.2	Low	73.5	Confident	103 Å²	103	106.6 Å²	106.6	39%	0.389	49%	0.487	S	S	.	.	H	α-helix	trans	-62.8	-45.8	172.9	-75.9	166.8	177.8	-177.6	0.1	112.1	I395 A396 E397 L401 A402 Y403	I395-R399 WeakPolarHBondContact O-CB 3.26Å; I395-R399 WeakPolarHBondContact O-CG 3.46Å; I395-R399 PolarHBondContact O-N 2.81Å; A396-R399 WeakPolarHBondContact O-CB 3.32Å; A396-R399 PolarHBondContact O-N 2.78Å; E397-R399 VanDerWaalsContact C-N 3.26Å; E397-R399 PolarHBondContact O-N 3.04Å; R399-L401 VanDerWaalsContact C-N 3.35Å; R399-A402 PolarHBondContact O-N 2.88Å; R399-Y403 WeakPolarHBondContact O-CB 3.35Å; R399-Y403 PolarHBondContact O-N 2.8Å
400	K	76.4	Confident	72.8	Confident	126 Å²	126	101.1 Å²	101.1	55%	0.548	46%	0.464	S	S	.	.	H	α-helix	trans	-60	-46.1	176.6	-73.8	177.9	-166.8	165.3	0	110.7	A396 E397 Y403 A404	A396-K400 WeakPolarHBondContact O-CG 3.33Å; A396-K400 PolarHBondContact O-N 2.68Å; E397-K400 WeakPolarHBondContact O-CB 3.48Å; E397-K400 PolarHBondContact O-N 3.07Å; E397-K400 VanDerWaalsContact O-N 3.1Å; E397-K400 WeakPolarHBondContact OE1-CD 3.24Å; E397-K400 IonicContact OE1-NZ 2.7Å; E397-K400 PolarHBondContact OE1-NZ 3.04Å; K400-Y403 PolarHBondContact O-N 2.89Å; K400-A404 WeakPolarHBondContact O-CB 3.36Å; K400-A404 PolarHBondContact O-N 3.48Å
401	L	78.5	Confident	72.2	Confident	100 Å²	100	99.4 Å²	99.4	52%	0.524	45%	0.454	S	S	.	.	H	α-helix	trans	-67.3	-42.7	179	-70.5	173.9	0	0	0	112.4	E397 Y398 R399 A404 R405	E397-L401 WeakPolarHBondContact O-CB 3.41Å; E397-L401 WeakPolarHBondContact O-CG 3.43Å; E397-L401 PolarHBondContact O-N 2.96Å; Y398-L401 PolarHBondContact O-N 2.73Å; R399-L401 VanDerWaalsContact C-N 3.35Å; L401-A404 PolarHBondContact O-N 2.79Å; L401-R405 WeakPolarHBondContact O-CB 3.41Å; L401-R405 PolarHBondContact O-N 3.35Å
402	A	73	Confident	72.1	Confident	43 Å²	43	98.2 Å²	98.2	36%	0.355	45%	0.449	S	S	.	.	H	α-helix	trans	-65.7	-41.9	177.1	0	0	0	0	0	111.5	Y398 R399 R405 K406	Y398-A402 HydrophobicContact CE1-CB 4.42Å; Y398-A402 WeakPolarHBondContact O-CB 3.24Å; Y398-A402 PolarHBondContact O-N 3.3Å; R399-A402 PolarHBondContact O-N 2.88Å; A402-R405 PolarHBondContact O-N 3.31Å; A402-K406 VanDerWaalsContact O-CB 3.31Å; A402-K406 WeakPolarHBondContact O-CB 3.5Å; A402-K406 PolarHBondContact O-N 3.18Å
403	Y	68.6	Low	72.3	Confident	104 Å²	104	97.7 Å²	97.7	41%	0.408	45%	0.445	S	S	.	.	H	α-helix	trans	-63.7	-45.9	173.3	178.6	-99.5	0	0	0	111.3	R399 K400 K406 K407	R399-Y403 WeakPolarHBondContact O-CB 3.35Å; R399-Y403 PolarHBondContact O-N 2.8Å; K400-Y403 PolarHBondContact O-N 2.89Å; Y403-K406 PolarHBondContact O-N 2.94Å; Y403-K407 HydrophobicContact CE1-CD 4.06Å; Y403-K407 WeakPolarHBondContact O-CB 3.37Å; Y403-K407 PolarHBondContact O-N 3.14Å
404	A	72.5	Confident	72.3	Confident	41 Å²	41	91.3 Å²	91.3	34%	0.339	42%	0.415	S	S	.	.	H	α-helix	trans	-61.1	-44.8	176.5	0	0	0	0	0	111.6	K400 L401 K407 W408	K400-A404 WeakPolarHBondContact O-CB 3.36Å; K400-A404 PolarHBondContact O-N 3.48Å; L401-A404 PolarHBondContact O-N 2.79Å; A404-K407 PolarHBondContact O-N 3.22Å; A404-W408 VanDerWaalsContact O-CB 3.31Å; A404-W408 WeakPolarHBondContact O-CB 3.49Å; A404-W408 PolarHBondContact O-N 3.32Å
405	R	74.2	Confident	72.3	Confident	151 Å²	151	86.2 Å²	86.2	57%	0.57	40%	0.396	S	S	*	.	H	α-helix	trans	-65.6	-38.7	177.7	-170.5	-176	-62.3	173.3	1.5	112.2	L401 A402 R409	L401-R405 WeakPolarHBondContact O-CB 3.41Å; L401-R405 PolarHBondContact O-N 3.35Å; A402-R405 PolarHBondContact O-N 3.31Å; R405-R409 PolarHBondContact O-N 3.09Å; R405-R409 VanDerWaalsContact O-N 3.1Å
406	K	64.4	Low	72.8	Confident	75 Å²	75	86.7 Å²	86.7	33%	0.326	40%	0.4	S	S	.	.	H	α-helix	trans	-68.8	-49	175.7	-163.9	170.3	-174	172.7	0	110.1	A402 Y403 W408 R409 L410	A402-K406 VanDerWaalsContact O-CB 3.31Å; A402-K406 WeakPolarHBondContact O-CB 3.5Å; A402-K406 PolarHBondContact O-N 3.18Å; Y403-K406 PolarHBondContact O-N 2.94Å; K406-W408 VanDerWaalsContact C-N 3.3Å; K406-W408 PolarHBondContact O-N 3.12Å; K406-R409 WeakPolarHBondContact O-CB 3.32Å; K406-R409 PolarHBondContact O-N 3.1Å; K406-R409 VanDerWaalsContact O-N 3.13Å; K406-L410 VanDerWaalsContact O-CG 3.3Å; K406-L410 WeakPolarHBondContact O-CG 3.09Å; K406-L410 PolarHBondContact O-N 2.96Å
407	K	66.9	Low	73.2	Confident	105 Å²	105	86.2 Å²	86.2	46%	0.457	39%	0.393	S	S	.	.	H	α-helix	trans	-56.6	-39.9	174.6	-175.6	177.3	179.1	179.5	0	112.3	Y403 A404 L410 L411	Y403-K407 HydrophobicContact CE1-CD 4.06Å; Y403-K407 WeakPolarHBondContact O-CB 3.37Å; Y403-K407 PolarHBondContact O-N 3.14Å; A404-K407 PolarHBondContact O-N 3.22Å; K407-L410 WeakPolarHBondContact O-CB 3.49Å; K407-L410 PolarHBondContact O-N 2Å; K407-L411 WeakPolarHBondContact O-CG 3.38Å; K407-L411 PolarHBondContact O-N 3.04Å; K407-L411 VanDerWaalsContact O-N 3.11Å
408	W	64.3	Low	73.6	Confident	171 Å²	171	82.2 Å²	82.2	65%	0.648	37%	0.374	S	S	*	.	H	α-helix	trans	-60	-51.1	172.1	-105.7	90.8	0	0	0	112	A404 K406 L410 L411 D412	A404-W408 VanDerWaalsContact O-CB 3.31Å; A404-W408 WeakPolarHBondContact O-CB 3.49Å; A404-W408 PolarHBondContact O-N 3.32Å; K406-W408 VanDerWaalsContact C-N 3.3Å; K406-W408 PolarHBondContact O-N 3.12Å; W408-L410 PolarHBondContact O-N 3.09Å; W408-L410 VanDerWaalsContact O-N 3.14Å; W408-L411 WeakPolarHBondContact O-CB 3.38Å; W408-L411 PolarHBondContact O-N 2.82Å; W408-L411 VanDerWaalsContact O-N 3.11Å; W408-D412 PolarHBondContact O-N 2.97Å
409	R	62.4	Low	74.1	Confident	168 Å²	168	82.4 Å²	82.4	63%	0.634	37%	0.374	S	S	*	.	H	α-helix	trans	-58.6	-26.9	174.9	-79.7	-168.7	-92.3	-180	-9.4	113.8	R405 K406 F413	R405-R409 PolarHBondContact O-N 3.09Å; R405-R409 VanDerWaalsContact O-N 3.1Å; K406-R409 WeakPolarHBondContact O-CB 3.32Å; K406-R409 PolarHBondContact O-N 3.1Å; K406-R409 VanDerWaalsContact O-N 3.13Å; R409-F413 PolarHBondContact O-N 2.9Å
410	L	58.3	Low	75.1	Confident	24 Å²	24	82.7 Å²	82.7	13%	0.126	38%	0.382	C	S	.	.	H	α-helix	trans	-71.9	-48	174.8	-55.8	-171.9	0	0	0	111.6	L326 I327 K406 K407 W408 D412 F413 G414	L326-L410 HydrophobicContact CB-CD1 3.71Å; L326-L410 HydrophobicContact CB-CD2 3.38Å; L326-L410 HydrophobicContact CB-CG 4.14Å; L326-L410 HydrophobicContact CD1-CD2 3.51Å; L326-L410 HydrophobicContact CD2-CD2 4Å; L326-L410 HydrophobicContact CG-CD2 3.78Å; I327-L410 HydrophobicContact CG1-CD1 4.5Å; K406-L410 VanDerWaalsContact O-CG 3.3Å; K406-L410 WeakPolarHBondContact O-CG 3.09Å; K406-L410 PolarHBondContact O-N 2.96Å; K407-L410 WeakPolarHBondContact O-CB 3.49Å; K407-L410 PolarHBondContact O-N 2Å; W408-L410 PolarHBondContact O-N 3.09Å; W408-L410 VanDerWaalsContact O-N 3.14Å; L410-D412 PolarHBondContact O-N 3.24Å; L410-F413 PolarHBondContact O-N 3.43Å; L410-G414 PolarHBondContact O-N 3.09Å
411	L	65.3	Low	75.8	Confident	49 Å²	49	77.2 Å²	77.2	26%	0.257	36%	0.36	S	S	.	.	H	α-helix	trans	-57.7	-36.9	175	-69.4	165.1	0	0	0	110.7	K262 K407 W408 A415	K262-L411 HydrophobicContact CG-CD2 4.31Å; K407-L411 WeakPolarHBondContact O-CG 3.38Å; K407-L411 PolarHBondContact O-N 3.04Å; K407-L411 VanDerWaalsContact O-N 3.11Å; W408-L411 WeakPolarHBondContact O-CB 3.38Å; W408-L411 PolarHBondContact O-N 2.82Å; W408-L411 VanDerWaalsContact O-N 3.11Å; L411-A415 WeakPolarHBondContact O-CB 3.41Å; L411-A415 PolarHBondContact O-N 2.95Å
412	D	75	Confident	76.3	Confident	72 Å²	72	77.3 Å²	77.3	39%	0.385	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-39.1	175	-69.9	-23.4	0	0	0	112.8	W408 L410 N416	W408-D412 PolarHBondContact O-N 2.97Å; L410-D412 PolarHBondContact O-N 3.24Å; D412-N416 VanDerWaalsContact O-CB 3.24Å; D412-N416 WeakPolarHBondContact O-CB 3.49Å; D412-N416 PolarHBondContact O-N 3.46Å; D412-N416 PolarHBondContact O-ND2 3.44Å; D412-N416 VanDerWaalsContact O-ND2 3.1Å; D412-N416 PolarHBondContact O-OD1 2.98Å
413	F	78.5	Confident	77.2	Confident	89 Å²	89	80.2 Å²	80.2	39%	0.39	36%	0.364	S	S	.	.	H	α-helix	trans	-67.7	-51.7	-179.3	-177.6	-94.7	0	0	0	111.9	Q322 R409 L410 A415 N416 V417	Q322-F413 HydrophobicContact CB-CD1 4.48Å; Q322-F413 HydrophobicContact CB-CE1 4.24Å; Q322-F413 HydrophobicContact CG-CE1 4.11Å; R409-F413 PolarHBondContact O-N 2.9Å; L410-F413 PolarHBondContact O-N 3.43Å; F413-A415 VanDerWaalsContact C-N 3.34Å; F413-A415 PolarHBondContact O-N 3.44Å; F413-N416 WeakPolarHBondContact O-CB 3.38Å; F413-N416 PolarHBondContact O-N 2.87Å; F413-N416 VanDerWaalsContact O-N 3.14Å; F413-V417 HydrophobicContact CD1-CG2 4.36Å; F413-V417 HydrophobicContact CE1-CG2 3.87Å; F413-V417 HydrophobicContact CZ-CG2 4.01Å; F413-V417 PolarHBondContact O-N 3.05Å; F413-V417 VanDerWaalsContact O-N 3.09Å
414	G	79.1	Confident	78.3	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-58.4	-46.3	177.2	0	0	0	0	0	111.7	L410 N416 V417 D418	L410-G414 PolarHBondContact O-N 3.09Å; G414-N416 VanDerWaalsContact C-N 3.27Å; G414-N416 PolarHBondContact O-N 2.83Å; G414-V417 PolarHBondContact O-N 2.97Å; G414-V417 VanDerWaalsContact O-N 3.16Å; G414-D418 PolarHBondContact O-N 3.45Å
415	A	81.1	Confident	79.3	Confident	31 Å²	31	77.8 Å²	77.8	26%	0.256	35%	0.354	S	S	.	.	H	α-helix	trans	-63.1	-31.3	176.8	0	0	0	0	0	113.2	L411 F413 R419	L411-A415 WeakPolarHBondContact O-CB 3.41Å; L411-A415 PolarHBondContact O-N 2.95Å; F413-A415 VanDerWaalsContact C-N 3.34Å; F413-A415 PolarHBondContact O-N 3.44Å; A415-R419 WeakPolarHBondContact O-CB 3.3Å; A415-R419 VanDerWaalsContact O-CG 3.23Å; A415-R419 WeakPolarHBondContact O-CG 3.49Å; A415-R419 PolarHBondContact O-N 2.84Å
416	N	86	Confident	80.2	Confident	75 Å²	75	72.4 Å²	72.4	40%	0.401	34%	0.339	S	S	.	.	H	α-helix	trans	-70.4	-39.4	175	-75.2	-20.6	0	0	0	112.1	D412 F413 G414 R419 I420	D412-N416 VanDerWaalsContact O-CB 3.24Å; D412-N416 WeakPolarHBondContact O-CB 3.49Å; D412-N416 PolarHBondContact O-N 3.46Å; D412-N416 PolarHBondContact O-ND2 3.44Å; D412-N416 VanDerWaalsContact O-ND2 3.1Å; D412-N416 PolarHBondContact O-OD1 2.98Å; F413-N416 WeakPolarHBondContact O-CB 3.38Å; F413-N416 PolarHBondContact O-N 2.87Å; F413-N416 VanDerWaalsContact O-N 3.14Å; G414-N416 VanDerWaalsContact C-N 3.27Å; G414-N416 PolarHBondContact O-N 2.83Å; N416-R419 PolarHBondContact O-N 3.12Å; N416-I420 WeakPolarHBondContact O-CG1 3.12Å; N416-I420 PolarHBondContact O-N 2.85Å; N416-I420 VanDerWaalsContact O-N 3.15Å
417	V	86.8	Confident	81.6	Confident	28 Å²	28	74.2 Å²	74.2	17%	0.17	35%	0.351	C	S	.	.	H	α-helix	trans	-63.8	-47.9	174	-176.4	0	0	0	0	109.8	E315 V319 F413 G414 R419 I420 S421	E315-V417 HydrophobicContact CG-CG1 4.38Å; E315-V417 VanDerWaalsContact OE1-CG1 3.27Å; E315-V417 WeakPolarHBondContact OE1-CG1 3.32Å; V319-V417 HydrophobicContact CG2-CB 4.18Å; V319-V417 HydrophobicContact CG2-CG1 4.09Å; F413-V417 HydrophobicContact CD1-CG2 4.36Å; F413-V417 HydrophobicContact CE1-CG2 3.87Å; F413-V417 HydrophobicContact CZ-CG2 4.01Å; F413-V417 PolarHBondContact O-N 3.05Å; F413-V417 VanDerWaalsContact O-N 3.09Å; G414-V417 PolarHBondContact O-N 2.97Å; G414-V417 VanDerWaalsContact O-N 3.16Å; V417-R419 VanDerWaalsContact C-N 3.3Å; V417-R419 PolarHBondContact O-N 3.15Å; V417-I420 PolarHBondContact O-N 3.09Å; V417-I420 VanDerWaalsContact O-N 3.12Å; V417-S421 WeakPolarHBondContact O-CB 3.49Å; V417-S421 PolarHBondContact O-N 3.07Å; V417-S421 PolarHBondContact O-OG 3.12Å; V417-S421 VanDerWaalsContact O-OG 3.07Å
418	D	88.3	Confident	82.9	Confident	7 Å²	7	72.2 Å²	72.2	4%	0.037	35%	0.348	C	S	.	.	H	α-helix	trans	-55.8	-43.6	176.8	-70.2	-44.9	0	0	0	111.7	T261 R267 G414 I420 S421 F422	T261-D418 VanDerWaalsContact CG2-OD2 3.28Å; T261-D418 WeakPolarHBondContact CG2-OD2 3.47Å; R267-D418 IonicContact CZ-OD1 2.74Å; R267-D418 IonicContact CZ-OD2 3.68Å; R267-D418 IonicContact NH1-OD1 2.7Å; R267-D418 PolarHBondContact NH1-OD1 3.4Å; R267-D418 IonicContact NH1-OD2 2.91Å; R267-D418 PolarHBondContact NH1-OD2 2.78Å; R267-D418 IonicContact NH2-OD1 3.35Å; R267-D418 IonicContact NH2-OD2 3.71Å; R267-D418 PolarHBondContact NH2-OD2 3.14Å; G414-D418 PolarHBondContact O-N 3.45Å; D418-I420 PolarHBondContact O-N 2.91Å; D418-S421 PolarHBondContact O-N 3.26Å; D418-F422 VanDerWaalsContact O-CB 3.25Å; D418-F422 WeakPolarHBondContact O-CB 3.29Å; D418-F422 PolarHBondContact O-N 3.4Å
419	R	88.1	Confident	84.4	Confident	169 Å²	169	64.4 Å²	64.4	64%	0.638	32%	0.319	S	S	*	.	H	α-helix	trans	-62	-40	177.6	-80	172.8	-176	171.5	1.3	113.2	A415 N416 V417	A415-R419 WeakPolarHBondContact O-CB 3.3Å; A415-R419 VanDerWaalsContact O-CG 3.23Å; A415-R419 WeakPolarHBondContact O-CG 3.49Å; A415-R419 PolarHBondContact O-N 2.84Å; N416-R419 PolarHBondContact O-N 3.12Å; V417-R419 VanDerWaalsContact C-N 3.3Å; V417-R419 PolarHBondContact O-N 3.15Å
420	I	90.2	Very high	85.9	Confident	109 Å²	109	58.8 Å²	58.8	56%	0.559	31%	0.308	S	S	*	.	H	α-helix	trans	-69.3	-48.3	177	-66.4	166.3	0	0	0	109.3	N416 V417 D418 F422 I423 V424	N416-I420 WeakPolarHBondContact O-CG1 3.12Å; N416-I420 PolarHBondContact O-N 2.85Å; N416-I420 VanDerWaalsContact O-N 3.15Å; V417-I420 PolarHBondContact O-N 3.09Å; V417-I420 VanDerWaalsContact O-N 3.12Å; D418-I420 PolarHBondContact O-N 2.91Å; I420-F422 VanDerWaalsContact C-N 3.27Å; I420-F422 PolarHBondContact O-N 2.92Å; I420-I423 PolarHBondContact O-N 3.27Å; I420-V424 HydrophobicContact CG2-CG2 3.83Å; I420-V424 WeakPolarHBondContact O-CG2 3.16Å; I420-V424 PolarHBondContact O-N 3.21Å
421	S	90.4	Very high	87.7	Confident	11 Å²	11	60.3 Å²	60.3	8%	0.077	32%	0.324	C	S	.	.	H	α-helix	trans	-58.1	-39.9	178.8	-61.3	0	0	0	0	112	E315 V417 D418 I423 V424 F425	E315-S421 WeakPolarHBondContact CG-OG 3.26Å; V417-S421 WeakPolarHBondContact O-CB 3.49Å; V417-S421 PolarHBondContact O-N 3.07Å; V417-S421 PolarHBondContact O-OG 3.12Å; V417-S421 VanDerWaalsContact O-OG 3.07Å; D418-S421 PolarHBondContact O-N 3.26Å; S421-I423 PolarHBondContact O-N 2.93Å; S421-I423 VanDerWaalsContact O-N 3.17Å; S421-V424 PolarHBondContact O-N 3.27Å; S421-F425 WeakPolarHBondContact O-CB 3.24Å; S421-F425 VanDerWaalsContact O-CD2 3.29Å; S421-F425 WeakPolarHBondContact O-CD2 3.45Å; S421-F425 PolarHBondContact O-N 3.23Å
422	F	89.7	Confident	89.1	Confident	102 Å²	102	60 Å²	60	45%	0.447	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-26.5	176.5	-176.3	-100.7	0	0	0	113.7	C258 D418 I420 P426	C258-F422 VanDerWaalsContact SG-CD2 3.59Å; C258-F422 WeakPolarHBondContact SG-CE2 3.32Å; D418-F422 VanDerWaalsContact O-CB 3.25Å; D418-F422 WeakPolarHBondContact O-CB 3.29Å; D418-F422 PolarHBondContact O-N 3.4Å; I420-F422 VanDerWaalsContact C-N 3.27Å; I420-F422 PolarHBondContact O-N 2.92Å; F422-P426 WeakPolarHBondContact O-CD 3.43Å; F422-P426 WeakPolarHBondContact O-CG 3.4Å
423	I	90.9	Very high	90.1	Very high	103 Å²	103	57.3 Å²	57.3	53%	0.528	31%	0.306	S	S	.	.	H	α-helix	trans	-96	-45	177.5	-62.7	172.5	0	0	0	110.7	I420 S421 L427	I420-I423 PolarHBondContact O-N 3.27Å; S421-I423 PolarHBondContact O-N 2.93Å; S421-I423 VanDerWaalsContact O-N 3.17Å; I423-L427 HydrophobicContact CG2-CD1 3.58Å; I423-L427 HydrophobicContact CG2-CG 4.34Å; I423-L427 WeakPolarHBondContact O-CB 3.48Å; I423-L427 VanDerWaalsContact O-CG 3.23Å; I423-L427 WeakPolarHBondContact O-CG 3.4Å; I423-L427 PolarHBondContact O-N 3.2Å
424	V	92.6	Very high	90.8	Very high	68 Å²	68	57.7 Å²	57.7	41%	0.412	32%	0.316	S	S	.	.	H	α-helix	trans	-67.2	-43.2	-173.4	172.6	0	0	0	0	112	I420 S421 L427 T428	I420-V424 HydrophobicContact CG2-CG2 3.83Å; I420-V424 WeakPolarHBondContact O-CG2 3.16Å; I420-V424 PolarHBondContact O-N 3.21Å; S421-V424 PolarHBondContact O-N 3.27Å; V424-L427 PolarHBondContact O-N 3.26Å; V424-T428 HydrophobicContact CG1-CG2 4.17Å; V424-T428 WeakPolarHBondContact O-CB 3.3Å; V424-T428 VanDerWaalsContact O-CG2 3.29Å; V424-T428 WeakPolarHBondContact O-CG2 3.49Å; V424-T428 PolarHBondContact O-N 3.1Å; V424-T428 PolarHBondContact O-OG1 2.73Å
425	F	93.1	Very high	91.5	Very high	27 Å²	27	62.2 Å²	62.2	12%	0.118	34%	0.343	C	S	.	.	H	α-helix	trans	-64.5	-51	-177.2	-81.8	-114.8	0	0	0	112.2	W254 F257 F308 A311 S421 L427 T428 F429	W254-F425 HydrophobicContact CZ2-CB 4.34Å; W254-F425 AromaticContact NE1-CD1 3.92Å; F257-F425 HydrophobicContact CE2-CB 4.39Å; F257-F425 HydrophobicContact CE2-CD1 4.41Å; F257-F425 HydrophobicContact CE2-CD2 4.45Å; F257-F425 HydrophobicContact CE2-CG 4.2Å; F257-F425 HydrophobicContact CZ-CD1 4.33Å; F257-F425 HydrophobicContact CZ-CE1 4.33Å; F257-F425 HydrophobicContact CZ-CG 4.41Å; F257-F425 HydrophobicContact CZ-CZ 4.42Å; F308-F425 HydrophobicContact CD1-CD1 4.02Å; A311-F425 HydrophobicContact CB-CE1 3.74Å; A311-F425 HydrophobicContact CB-CZ 4.04Å; S421-F425 WeakPolarHBondContact O-CB 3.24Å; S421-F425 VanDerWaalsContact O-CD2 3.29Å; S421-F425 WeakPolarHBondContact O-CD2 3.45Å; S421-F425 PolarHBondContact O-N 3.23Å; F425-L427 PolarHBondContact O-N 2.89Å; F425-T428 PolarHBondContact O-N 2.97Å; F425-T428 PolarHBondContact O-OG1 3.33Å; F425-F429 WeakPolarHBondContact O-CB 3.43Å; F425-F429 PolarHBondContact O-N 2.85Å
426	P	93	Very high	92.1	Very high	38 Å²	38	61 Å²	61	25%	0.247	33%	0.332	C	S	.	.	H	α-helix	trans	-61.1	-40.3	175.3	-23.8	33.3	0	0	0	114	W254 F422 F429 A430	W254-P426 HydrophobicContact CD2-CG 4.23Å; W254-P426 HydrophobicContact CE3-CB 4.15Å; W254-P426 HydrophobicContact CE3-CG 3.61Å; W254-P426 HydrophobicContact CH2-CB 4.14Å; W254-P426 HydrophobicContact CH2-CG 4.3Å; W254-P426 HydrophobicContact CZ3-CB 3.65Å; W254-P426 HydrophobicContact CZ3-CG 3.65Å; F422-P426 WeakPolarHBondContact O-CD 3.43Å; F422-P426 WeakPolarHBondContact O-CG 3.4Å; P426-F429 PolarHBondContact O-N 3.15Å; P426-A430 VanDerWaalsContact O-CB 3.26Å; P426-A430 WeakPolarHBondContact O-CB 3.28Å; P426-A430 PolarHBondContact O-N 2.99Å
427	L	93	Very high	92.5	Very high	113 Å²	113	59.9 Å²	59.9	59%	0.592	32%	0.322	S	S	*	.	H	α-helix	trans	-65.8	-44.3	-179.9	-73.7	177.2	0	0	0	112.2	I423 V424 F425 F429 A430 A431	I423-L427 HydrophobicContact CG2-CD1 3.58Å; I423-L427 HydrophobicContact CG2-CG 4.34Å; I423-L427 WeakPolarHBondContact O-CB 3.48Å; I423-L427 VanDerWaalsContact O-CG 3.23Å; I423-L427 WeakPolarHBondContact O-CG 3.4Å; I423-L427 PolarHBondContact O-N 3.2Å; V424-L427 PolarHBondContact O-N 3.26Å; F425-L427 PolarHBondContact O-N 2.89Å; L427-F429 VanDerWaalsContact C-N 3.35Å; L427-A430 PolarHBondContact O-N 3.25Å; L427-A431 PolarHBondContact O-N 3.07Å
428	T	94.5	Very high	92.7	Very high	63 Å²	63	61.4 Å²	61.4	39%	0.387	33%	0.332	S	S	.	.	H	α-helix	trans	-66.1	-39.2	178	50	0	0	0	0	111.5	F308 V424 F425 A431 F432	F308-T428 WeakPolarHBondContact CE1-OG1 3.48Å; V424-T428 HydrophobicContact CG1-CG2 4.17Å; V424-T428 WeakPolarHBondContact O-CB 3.3Å; V424-T428 VanDerWaalsContact O-CG2 3.29Å; V424-T428 WeakPolarHBondContact O-CG2 3.49Å; V424-T428 PolarHBondContact O-N 3.1Å; V424-T428 PolarHBondContact O-OG1 2.73Å; F425-T428 PolarHBondContact O-N 2.97Å; F425-T428 PolarHBondContact O-OG1 3.33Å; T428-A431 PolarHBondContact O-N 3.26Å; T428-F432 PolarHBondContact O-N 3.11Å
429	F	95.2	Very high	92.8	Very high	7 Å²	7	67.4 Å²	67.4	3%	0.031	36%	0.355	C	S	.	.	H	α-helix	trans	-68.8	-36.9	174.1	-175.6	-109.4	0	0	0	112.8	Y247 L250 W254 W301 F308 F425 P426 L427 F432 N433	Y247-F429 AromaticContact CD1-CE1 3.62Å; Y247-F429 HydrophobicContact CD1-CE1 3.62Å; Y247-F429 AromaticContact CD1-CZ 3.96Å; Y247-F429 HydrophobicContact CD1-CZ 3.96Å; Y247-F429 AromaticContact CE1-CE1 3.52Å; Y247-F429 HydrophobicContact CE1-CE1 3.52Å; Y247-F429 AromaticContact CE1-CZ 3.79Å; Y247-F429 HydrophobicContact CE1-CZ 3.79Å; L250-F429 HydrophobicContact CD1-CD2 4.2Å; L250-F429 HydrophobicContact CD1-CE1 3.86Å; L250-F429 HydrophobicContact CD1-CE2 3.46Å; L250-F429 VanDerWaalsContact CD1-CE2 3.46Å; L250-F429 HydrophobicContact CD1-CZ 3.25Å; W254-F429 HydrophobicContact CH2-CB 3.65Å; W254-F429 AromaticContact CH2-CD1 3.64Å; W254-F429 HydrophobicContact CH2-CD1 3.64Å; W254-F429 AromaticContact CH2-CG 3.86Å; W254-F429 HydrophobicContact CH2-CG 3.86Å; W254-F429 HydrophobicContact CZ2-CB 3.86Å; W254-F429 HydrophobicContact CZ2-CD1 4.3Å; W254-F429 HydrophobicContact CZ2-CG 4.13Å; W301-F429 HydrophobicContact CH2-CE2 4.33Å; W301-F429 AromaticContact CH2-CZ 3.74Å; W301-F429 HydrophobicContact CH2-CZ 3.74Å; W301-F429 HydrophobicContact CZ2-CZ 4.11Å; F308-F429 AromaticContact CD2-CD2 3.87Å; F308-F429 HydrophobicContact CD2-CD2 3.87Å; F308-F429 HydrophobicContact CE1-CB 4.32Å; F308-F429 HydrophobicContact CE2-CB 4.32Å; F308-F429 AromaticContact CE2-CD2 3.83Å; F308-F429 HydrophobicContact CE2-CD2 3.83Å; F308-F429 HydrophobicContact CZ-CB 4.1Å; F308-F429 HydrophobicContact CZ-CD2 4.45Å; F425-F429 WeakPolarHBondContact O-CB 3.43Å; F425-F429 PolarHBondContact O-N 2.85Å; P426-F429 PolarHBondContact O-N 3.15Å; L427-F429 VanDerWaalsContact C-N 3.35Å; F429-F432 HydrophobicContact CD2-CD1 4.15Å; F429-F432 HydrophobicContact CE2-CD1 4.06Å; F429-F432 HydrophobicContact CE2-CE1 4.46Å; F429-F432 WeakPolarHBondContact O-CB 3.49Å; F429-F432 PolarHBondContact O-N 3.33Å; F429-N433 VanDerWaalsContact CD1-ND2 3.27Å; F429-N433 WeakPolarHBondContact CD1-ND2 3.43Å; F429-N433 WeakPolarHBondContact CE1-ND2 3.1Å; F429-N433 WeakPolarHBondContact CZ-ND2 3.32Å; F429-N433 PolarHBondContact O-N 3.1Å; F429-N433 PolarHBondContact O-ND2 2.9Å
430	A	94.3	Very high	92.9	Very high	49 Å²	49	60.7 Å²	60.7	41%	0.405	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-42.5	173.8	0	0	0	0	0	111.4	P426 L427 N433 V434	P426-A430 VanDerWaalsContact O-CB 3.26Å; P426-A430 WeakPolarHBondContact O-CB 3.28Å; P426-A430 PolarHBondContact O-N 2.99Å; L427-A430 PolarHBondContact O-N 3.25Å; A430-N433 WeakPolarHBondContact O-CB 3.49Å; A430-N433 PolarHBondContact O-N 3.25Å; A430-V434 WeakPolarHBondContact O-CG2 3.4Å; A430-V434 PolarHBondContact O-N 3.44Å
431	A	95.6	Very high	92.7	Very high	57 Å²	57	58.2 Å²	58.2	47%	0.471	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-44.7	173.5	0	0	0	0	0	111.7	L427 T428 N433 V434 V435	L427-A431 PolarHBondContact O-N 3.07Å; T428-A431 PolarHBondContact O-N 3.26Å; A431-N433 VanDerWaalsContact C-N 3.31Å; A431-N433 PolarHBondContact O-N 2.81Å; A431-V434 PolarHBondContact O-N 3.4Å; A431-V435 WeakPolarHBondContact O-CG2 3.31Å; A431-V435 PolarHBondContact O-N 3Å; A431-V435 VanDerWaalsContact O-N 3.09Å
432	F	95.9	Very high	92	Very high	42 Å²	42	62.9 Å²	62.9	18%	0.184	34%	0.338	C	S	.	.	H	α-helix	trans	-56.9	-44.1	173.2	169.5	-101.5	0	0	0	111.8	W301 T304 T428 F429 V434 V435 Y436	W301-F432 AromaticContact CE3-CE1 3.69Å; W301-F432 HydrophobicContact CE3-CE1 3.69Å; W301-F432 HydrophobicContact CE3-CZ 4.33Å; W301-F432 HydrophobicContact CZ3-CD1 4.39Å; W301-F432 AromaticContact CZ3-CE1 3.79Å; W301-F432 HydrophobicContact CZ3-CE1 3.79Å; T304-F432 HydrophobicContact CG2-CD1 3.77Å; T304-F432 HydrophobicContact CG2-CD2 3.91Å; T304-F432 HydrophobicContact CG2-CE1 3.62Å; T304-F432 HydrophobicContact CG2-CE2 3.77Å; T304-F432 HydrophobicContact CG2-CG 3.91Å; T304-F432 HydrophobicContact CG2-CZ 3.62Å; T304-F432 WeakPolarHBondContact OG1-CE2 3.47Å; T304-F432 WeakPolarHBondContact OG1-CZ 3.35Å; T428-F432 PolarHBondContact O-N 3.11Å; F429-F432 HydrophobicContact CD2-CD1 4.15Å; F429-F432 HydrophobicContact CE2-CD1 4.06Å; F429-F432 HydrophobicContact CE2-CE1 4.46Å; F429-F432 WeakPolarHBondContact O-CB 3.49Å; F429-F432 PolarHBondContact O-N 3.33Å; F432-V434 PolarHBondContact O-N 2.93Å; F432-V435 PolarHBondContact O-N 3.05Å; F432-Y436 HydrophobicContact CE1-CD2 4.44Å; F432-Y436 HydrophobicContact CE1-CG 4.5Å; F432-Y436 HydrophobicContact CE2-CD2 4.48Å; F432-Y436 AromaticContact CZ-CD2 3.88Å; F432-Y436 HydrophobicContact CZ-CD2 3.88Å; F432-Y436 HydrophobicContact CZ-CG 4.32Å; F432-Y436 VanDerWaalsContact O-CB 3.24Å; F432-Y436 WeakPolarHBondContact O-CB 3.31Å; F432-Y436 PolarHBondContact O-N 2.93Å
433	N	94.8	Very high	90.7	Very high	16 Å²	16	60.6 Å²	60.6	9%	0.086	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-46	177.3	-87.8	-77.2	0	0	0	112.8	Y247 W301 F429 A430 A431 V435 Y436 W437	Y247-N433 PolarHBondContact OH-OD1 3.02Å; W301-N433 WeakPolarHBondContact CH2-OD1 3.5Å; W301-N433 WeakPolarHBondContact CZ3-OD1 3.32Å; F429-N433 VanDerWaalsContact CD1-ND2 3.27Å; F429-N433 WeakPolarHBondContact CD1-ND2 3.43Å; F429-N433 WeakPolarHBondContact CE1-ND2 3.1Å; F429-N433 WeakPolarHBondContact CZ-ND2 3.32Å; F429-N433 PolarHBondContact O-N 3.1Å; F429-N433 PolarHBondContact O-ND2 2.9Å; A430-N433 WeakPolarHBondContact O-CB 3.49Å; A430-N433 PolarHBondContact O-N 3.25Å; A431-N433 VanDerWaalsContact C-N 3.31Å; A431-N433 PolarHBondContact O-N 2.81Å; N433-V435 VanDerWaalsContact C-N 3.3Å; N433-V435 PolarHBondContact O-N 3.41Å; N433-Y436 PolarHBondContact O-N 2.92Å; N433-W437 WeakPolarHBondContact O-CB 3.19Å; N433-W437 PolarHBondContact O-N 2.93Å; N433-W437 PolarHBondContact OD1-NE1 3.47Å
434	V	94.2	Very high	89.3	Confident	96 Å²	96	58 Å²	58	58%	0.582	32%	0.319	S	S	*	.	H	α-helix	trans	-58.2	-46.8	177.2	173.8	0	0	0	0	110.1	A430 A431 F432 T438	A430-V434 WeakPolarHBondContact O-CG2 3.4Å; A430-V434 PolarHBondContact O-N 3.44Å; A431-V434 PolarHBondContact O-N 3.4Å; F432-V434 PolarHBondContact O-N 2.93Å; V434-T438 HydrophobicContact CG1-CG2 4.33Å; V434-T438 VanDerWaalsContact O-CB 3.25Å; V434-T438 WeakPolarHBondContact O-CB 3.4Å; V434-T438 WeakPolarHBondContact O-CG2 3.25Å; V434-T438 PolarHBondContact O-N 3.22Å; V434-T438 PolarHBondContact O-OG1 3.18Å
435	V	93.9	Very high	87.4	Confident	96 Å²	96	62.4 Å²	62.4	58%	0.582	33%	0.329	S	S	*	.	H	α-helix	trans	-64.2	-47.4	178.1	175.8	0	0	0	0	111.7	A431 F432 N433 T438 Y439	A431-V435 WeakPolarHBondContact O-CG2 3.31Å; A431-V435 PolarHBondContact O-N 3Å; A431-V435 VanDerWaalsContact O-N 3.09Å; F432-V435 PolarHBondContact O-N 3.05Å; N433-V435 VanDerWaalsContact C-N 3.3Å; N433-V435 PolarHBondContact O-N 3.41Å; V435-T438 PolarHBondContact O-OG1 3.4Å; V435-T438 VanDerWaalsContact O-OG1 3.07Å; V435-Y439 VanDerWaalsContact O-CB 3.27Å; V435-Y439 WeakPolarHBondContact O-CB 3.28Å; V435-Y439 PolarHBondContact O-N 3.37Å
436	Y	94.5	Very high	85.5	Confident	6 Å²	6	66.6 Å²	66.6	2%	0.024	35%	0.351	C	S	.	.	H	α-helix	trans	-59.1	-54.6	-178.9	-178.7	-91.5	0	0	0	111.6	Y243 A297 W301 F432 N433 Y439 Y440	Y243-Y436 AromaticContact CE1-CE1 3.85Å; Y243-Y436 HydrophobicContact CE1-CE1 3.85Å; Y243-Y436 PolarHBondContact OH-OH 3.43Å; A297-Y436 WeakPolarHBondContact O-CE2 3.22Å; A297-Y436 PolarHBondContact O-OH 2.89Å; W301-Y436 HydrophobicContact CB-CE2 3.92Å; W301-Y436 AromaticContact CE3-CD1 3.82Å; W301-Y436 HydrophobicContact CE3-CD1 3.82Å; W301-Y436 HydrophobicContact CE3-CD2 4.22Å; W301-Y436 AromaticContact CE3-CE1 3.79Å; W301-Y436 HydrophobicContact CE3-CE1 3.79Å; W301-Y436 HydrophobicContact CE3-CE2 4.18Å; W301-Y436 HydrophobicContact CE3-CG 4.04Å; W301-Y436 AromaticContact CE3-CZ 3.98Å; W301-Y436 HydrophobicContact CZ3-CD1 4.08Å; W301-Y436 HydrophobicContact CZ3-CE1 4.39Å; W301-Y436 HydrophobicContact CZ3-CG 4.39Å; F432-Y436 HydrophobicContact CE1-CD2 4.44Å; F432-Y436 HydrophobicContact CE1-CG 4.5Å; F432-Y436 HydrophobicContact CE2-CD2 4.48Å; F432-Y436 AromaticContact CZ-CD2 3.88Å; F432-Y436 HydrophobicContact CZ-CD2 3.88Å; F432-Y436 HydrophobicContact CZ-CG 4.32Å; F432-Y436 VanDerWaalsContact O-CB 3.24Å; F432-Y436 WeakPolarHBondContact O-CB 3.31Å; F432-Y436 PolarHBondContact O-N 2.93Å; N433-Y436 PolarHBondContact O-N 2.92Å; Y436-Y439 PolarHBondContact O-N 3.12Å; Y436-Y440 HydrophobicContact CD1-CD2 4.17Å; Y436-Y440 AromaticContact CD2-CD2 3.76Å; Y436-Y440 HydrophobicContact CD2-CD2 3.76Å; Y436-Y440 AromaticContact CD2-CE2 3.57Å; Y436-Y440 HydrophobicContact CD2-CE2 3.57Å; Y436-Y440 HydrophobicContact CE1-CD2 4.02Å; Y436-Y440 AromaticContact CE2-CD2 3.6Å; Y436-Y440 HydrophobicContact CE2-CD2 3.6Å; Y436-Y440 AromaticContact CE2-CE2 3.31Å; Y436-Y440 HydrophobicContact CE2-CE2 3.31Å; Y436-Y440 HydrophobicContact CG-CD2 4.04Å; Y436-Y440 HydrophobicContact CG-CE2 4.3Å; Y436-Y440 AromaticContact CZ-CD2 3.72Å; Y436-Y440 AromaticContact CZ-CE2 3.87Å; Y436-Y440 WeakPolarHBondContact O-CD2 3.35Å; Y436-Y440 PolarHBondContact O-N 3.15Å
437	W	92.6	Very high	83.4	Confident	50 Å²	50	66.4 Å²	66.4	19%	0.189	35%	0.35	C	S	.	.	H	α-helix	trans	-70.2	-36.3	-177.6	-69	110.3	0	0	0	112.4	I164 I239 Y243 Y247 N433 L441	I164-W437 HydrophobicContact CD1-CZ3 4.04Å; I239-W437 HydrophobicContact CD1-CH2 3.54Å; I239-W437 HydrophobicContact CD1-CZ3 3.99Å; Y243-W437 AromaticContact CD1-CH2 3.82Å; Y243-W437 HydrophobicContact CD1-CH2 3.82Å; Y243-W437 AromaticContact CD1-CZ2 3.53Å; Y243-W437 HydrophobicContact CD1-CZ2 3.53Å; Y243-W437 HydrophobicContact CD2-CH2 4.25Å; Y243-W437 AromaticContact CE1-CH2 3.66Å; Y243-W437 HydrophobicContact CE1-CH2 3.66Å; Y243-W437 AromaticContact CE1-CZ2 3.62Å; Y243-W437 HydrophobicContact CE1-CZ2 3.62Å; Y243-W437 HydrophobicContact CE2-CH2 4.09Å; Y243-W437 HydrophobicContact CG-CH2 4.1Å; Y243-W437 HydrophobicContact CG-CZ2 4.09Å; Y243-W437 AromaticContact CZ-CH2 3.79Å; Y247-W437 PolarHBondContact OH-NE1 3.18Å; N433-W437 WeakPolarHBondContact O-CB 3.19Å; N433-W437 PolarHBondContact O-N 2.93Å; N433-W437 PolarHBondContact OD1-NE1 3.47Å; W437-L441 HydrophobicContact CB-CD1 4.15Å; W437-L441 HydrophobicContact CE3-CD1 3.98Å; W437-L441 HydrophobicContact CE3-CG 4.19Å; W437-L441 WeakPolarHBondContact O-CB 3.43Å; W437-L441 VanDerWaalsContact O-CG 3.28Å; W437-L441 WeakPolarHBondContact O-CG 2.85Å; W437-L441 PolarHBondContact O-N 3.08Å
438	T	91.2	Very high	81	Confident	61 Å²	61	65.3 Å²	65.3	37%	0.374	35%	0.348	S	S	.	.	H	α-helix	trans	-64.8	-42.8	175.5	52	0	0	0	0	111.5	V434 V435 Q442	V434-T438 HydrophobicContact CG1-CG2 4.33Å; V434-T438 VanDerWaalsContact O-CB 3.25Å; V434-T438 WeakPolarHBondContact O-CB 3.4Å; V434-T438 WeakPolarHBondContact O-CG2 3.25Å; V434-T438 PolarHBondContact O-N 3.22Å; V434-T438 PolarHBondContact O-OG1 3.18Å; V435-T438 PolarHBondContact O-OG1 3.4Å; V435-T438 VanDerWaalsContact O-OG1 3.07Å; T438-Q442 WeakPolarHBondContact O-CB 3.2Å; T438-Q442 VanDerWaalsContact O-CD 3.26Å; T438-Q442 WeakPolarHBondContact O-CG 3.41Å; T438-Q442 PolarHBondContact O-N 3.06Å; T438-Q442 VanDerWaalsContact O-N 3.12Å
439	Y	90.9	Very high	78.2	Confident	133 Å²	133	72.9 Å²	72.9	52%	0.522	37%	0.37	S	S	.	.	H	α-helix	trans	-63.5	-50	177.6	-177.2	-102.2	0	0	0	112.1	V435 Y436	V435-Y439 VanDerWaalsContact O-CB 3.27Å; V435-Y439 WeakPolarHBondContact O-CB 3.28Å; V435-Y439 PolarHBondContact O-N 3.37Å; Y436-Y439 PolarHBondContact O-N 3.12Å
440	Y	89.4	Confident	75.4	Confident	28 Å²	28	79 Å²	79	11%	0.11	41%	0.408	C	S	.	.	H	α-helix	trans	-80	-22.2	-175.2	-70.5	-66.2	0	0	0	114.7	R161 A297 Y436	R161-Y440 HydrophobicContact CG-CD1 4.28Å; R161-Y440 HydrophobicContact CG-CE1 4.41Å; A297-Y440 WeakPolarHBondContact CA-OH 3.45Å; A297-Y440 HydrophobicContact CB-CD1 3.81Å; A297-Y440 HydrophobicContact CB-CD2 4.25Å; A297-Y440 HydrophobicContact CB-CE1 3.32Å; A297-Y440 HydrophobicContact CB-CE2 3.83Å; A297-Y440 HydrophobicContact CB-CG 4.26Å; Y436-Y440 HydrophobicContact CD1-CD2 4.17Å; Y436-Y440 AromaticContact CD2-CD2 3.76Å; Y436-Y440 HydrophobicContact CD2-CD2 3.76Å; Y436-Y440 AromaticContact CD2-CE2 3.57Å; Y436-Y440 HydrophobicContact CD2-CE2 3.57Å; Y436-Y440 HydrophobicContact CE1-CD2 4.02Å; Y436-Y440 AromaticContact CE2-CD2 3.6Å; Y436-Y440 HydrophobicContact CE2-CD2 3.6Å; Y436-Y440 AromaticContact CE2-CE2 3.31Å; Y436-Y440 HydrophobicContact CE2-CE2 3.31Å; Y436-Y440 HydrophobicContact CG-CD2 4.04Å; Y436-Y440 HydrophobicContact CG-CE2 4.3Å; Y436-Y440 AromaticContact CZ-CD2 3.72Å; Y436-Y440 AromaticContact CZ-CE2 3.87Å; Y436-Y440 WeakPolarHBondContact O-CD2 3.35Å; Y436-Y440 PolarHBondContact O-N 3.15Å
441	L	86.4	Confident	74.4	Confident	56 Å²	56	80.6 Å²	80.6	29%	0.293	41%	0.409	S	S	.	.	H	α-helix	trans	-92.9	-15.8	176.3	-65.7	169.8	0	0	0	114.2	I164 W437 D443 V444	I164-L441 HydrophobicContact CD1-CD2 3.76Å; I164-L441 HydrophobicContact CD1-CG 4.44Å; W437-L441 HydrophobicContact CB-CD1 4.15Å; W437-L441 HydrophobicContact CE3-CD1 3.98Å; W437-L441 HydrophobicContact CE3-CG 4.19Å; W437-L441 WeakPolarHBondContact O-CB 3.43Å; W437-L441 VanDerWaalsContact O-CG 3.28Å; W437-L441 WeakPolarHBondContact O-CG 2.85Å; W437-L441 PolarHBondContact O-N 3.08Å; L441-D443 VanDerWaalsContact C-N 3.3Å; L441-D443 PolarHBondContact O-N 2.8Å; L441-V444 PolarHBondContact O-N 3.31Å
442	Q	77.1	Confident	73.3	Confident	109 Å²	109	81.8 Å²	81.8	51%	0.509	41%	0.405	S	S	.	.	H	α-helix	trans	-60.3	-40.4	180	-94.3	168.9	-2.4	0	0	112	T438 R445	T438-Q442 WeakPolarHBondContact O-CB 3.2Å; T438-Q442 VanDerWaalsContact O-CD 3.26Å; T438-Q442 WeakPolarHBondContact O-CG 3.41Å; T438-Q442 PolarHBondContact O-N 3.06Å; T438-Q442 VanDerWaalsContact O-N 3.12Å; Q442-R445 PolarHBondContact O-N 3.48Å
443	D	61.3	Low	72	Confident	55 Å²	55	84 Å²	84	29%	0.294	42%	0.418	S	S	.	.	H	α-helix	trans	-75.7	-26.7	-175.8	-69.7	-45.6	0	0	0	113.8	R161 L441 R445 I446 S447	R161-D443 IonicContact CZ-OD2 3.04Å; R161-D443 IonicContact NE-OD2 3.4Å; R161-D443 IonicContact NH1-OD2 3.85Å; R161-D443 PolarHBondContact NH1-OD2 3.47Å; R161-D443 IonicContact NH2-OD2 2.88Å; R161-D443 PolarHBondContact NH2-OD2 3.03Å; L441-D443 VanDerWaalsContact C-N 3.3Å; L441-D443 PolarHBondContact O-N 2.8Å; D443-R445 PolarHBondContact O-N 2.99Å; D443-I446 PolarHBondContact O-N 3.4Å; D443-S447 PolarHBondContact O-N 3.08Å
444	V	61.6	Low	70.7	Confident	49 Å²	49	88 Å²	88	30%	0.297	44%	0.437	S	S	.	.	H	α-helix	trans	-63.5	-34.7	173	-175.4	0	0	0	0	111.1	I164 L441 I446 S447 T448	I164-V444 HydrophobicContact CG2-CG2 3.19Å; L441-V444 PolarHBondContact O-N 3.31Å; V444-I446 VanDerWaalsContact C-N 3.31Å; V444-I446 PolarHBondContact O-N 2.96Å; V444-S447 PolarHBondContact O-N 3.22Å; V444-S447 PolarHBondContact O-OG 3.06Å; V444-T448 PolarHBondContact O-N 3.27Å
445	R	52.2	Low	69.2	Low	160 Å²	160	87.5 Å²	87.5	60%	0.604	43%	0.428	S	S	*	.	H	α-helix	trans	-67.1	-35.1	178	-83.6	-174.8	-96.4	-168.9	-7.3	111.5	Q442 D443 S447 T448	Q442-R445 PolarHBondContact O-N 3.48Å; D443-R445 PolarHBondContact O-N 2.99Å; R445-S447 VanDerWaalsContact C-N 3.32Å; R445-S447 PolarHBondContact O-N 3.39Å; R445-T448 PolarHBondContact O-N 3.26Å; R445-T448 PolarHBondContact O-OG1 3.23Å
446	I	53.3	Low	67.6	Low	115 Å²	115	86.9 Å²	86.9	59%	0.59	42%	0.418	S	S	*	.	H	α-helix	trans	-67.4	-33.9	-179.1	-58.1	172.2	0	0	0	111.1	D443 V444	D443-I446 PolarHBondContact O-N 3.4Å; V444-I446 VanDerWaalsContact C-N 3.31Å; V444-I446 PolarHBondContact O-N 2.96Å
447	S	48.7	Very low	65.7	Low	33 Å²	33	92.7 Å²	92.7	23%	0.231	45%	0.446	C	S	.	.	H	α-helix	trans	-76.5	-18.1	178	63.9	0	0	0	0	114.6	R207 D443 V444 R445	R207-S447 PolarHBondContact NH2-O 2.98Å; D443-S447 PolarHBondContact O-N 3.08Å; V444-S447 PolarHBondContact O-N 3.22Å; V444-S447 PolarHBondContact O-OG 3.06Å; R445-S447 VanDerWaalsContact C-N 3.32Å; R445-S447 PolarHBondContact O-N 3.39Å
448	T	44.2	Very low	63.6	Low	90 Å²	90	96 Å²	96	55%	0.552	47%	0.466	S	S	*	.	H	α-helix	trans	-83.2	-14.9	177.3	54.2	0	0	0	0	114.8	V444 R445	V444-T448 PolarHBondContact O-N 3.27Å; R445-T448 PolarHBondContact O-N 3.26Å; R445-T448 PolarHBondContact O-OG1 3.23Å
449	W	34.4	Very low	61.3	Low	223 Å²	223	98.9 Å²	98.9	85%	0.845	47%	0.473	S	S	*	.			trans	-103.7	-5.9	-175.2	-72.6	104.8	0	0	0	115.8
450	T	36	Very low	58.6	Low	136 Å²	136	95.8 Å²	95.8	83%	0.834	47%	0.469	S	S	*	.			trans	-89.8	0	168.5	48.8	0	0	0	0	111.3	R207	R207-T450 PolarHBondContact NH1-O 3.37Å; R207-T450 PolarHBondContact NH1-OXT 3Å; R207-T450 PolarHBondContact NH2-OXT 3.06Å

Retrieved 450 of 450 residues in 164.8 ms (Link to these results)

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