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Heparan-sulfate 6-O-sulfotransferase

6-O-sulfation enzyme which catalyzes the transfer of sulfate from 3'-phosphoadenosine 5'-phosphosulfate (PAPS) to position 6 of the N-sulfoglucosamine residue (GlcNS) of heparan sulfate.

AlphaFold DB (O60243), UniProt , Accession A0A096NRW6, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 411 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	43.1	Very low	46.4	Very low	238 Å²	238	167.1 Å²	167.1	100%	1.172	82%	0.823	S	S	*	*				0	138.9	0	-85.9	-177.7	171.8	0	0	109.9
2	R	41	Very low	47.3	Very low	235 Å²	235	162.6 Å²	162.6	89%	0.887	81%	0.811	S	S	*	*			trans	62	103.3	161	-66.5	178.3	174.2	-175	-2.2	117.5
3	R	41.2	Very low	48	Very low	211 Å²	211	156.8 Å²	156.8	80%	0.796	78%	0.78	S	S	*	*				63.5	118	78.5	-86.6	-168.8	175.4	-179.7	0.5	115.4
4	R	42.8	Very low	48.7	Very low	208 Å²	208	159.9 Å²	159.9	79%	0.785	78%	0.778	S	S	*	*			trans	65.6	124.3	137.3	-66.5	-178.3	174.8	-172.3	-2.8	117.7
5	R	47	Very low	49.8	Very low	245 Å²	245	152.9 Å²	152.9	93%	0.925	76%	0.757	S	S	*	*				-169	113.3	111.3	-102.2	166.7	-178.6	-168.7	0.3	110.2	G7	R5-G7 PolarHBondContact O-N 3.38Å
6	A	46.4	Very low	51.1	Low	113 Å²	113	147.5 Å²	147.5	93%	0.934	74%	0.739	S	S	*	*			trans	-70.6	108.9	155.5	0	0	0	0	0	106.5
7	G	48.1	Very low	52.4	Low	67 Å²	67	145.4 Å²	145.4	69%	0.691	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-100.8	128.7	175.2	0	0	0	0	0	109.3	R5 R9	R5-G7 PolarHBondContact O-N 3.38Å; G7-R9 PolarHBondContact O-N 3.46Å
8	G	43.9	Very low	53.6	Low	74 Å²	74	145.9 Å²	145.9	76%	0.763	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-54.6	132.1	-174.6	0	0	0	0	0	113.2	T10	G8-T10 PolarHBondContact O-N 3.46Å
9	R	49.2	Very low	54.8	Low	186 Å²	186	143.5 Å²	143.5	70%	0.702	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-66.2	116.8	162.8	-74.8	-173.4	168.6	137.2	0.8	107.9	G7 E13	G7-R9 PolarHBondContact O-N 3.46Å; R9-E13 VanDerWaalsContact CD-OE2 3.27Å; R9-E13 WeakPolarHBondContact CD-OE2 3.48Å; R9-E13 WeakPolarHBondContact CG-OE2 3.31Å; R9-E13 IonicContact NE-OE2 2.83Å
10	T	52.6	Low	55.9	Low	91 Å²	91	142.4 Å²	142.4	56%	0.558	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-56.6	145.6	179.8	48.9	0	0	0	0	110.4	G8 V12 E13	G8-T10 PolarHBondContact O-N 3.46Å; T10-V12 PolarHBondContact O-N 3.4Å; T10-E13 PolarHBondContact O-N 3.14Å
11	M	55.1	Low	57.1	Low	170 Å²	170	140.7 Å²	140.7	84%	0.837	71%	0.708	S	S	*	*	H	α-helix	trans	-53.3	-26.3	-178.4	-152	-175.4	-66.3	0	0	112.5	R14 A15	M11-R14 PolarHBondContact O-N 2.98Å; M11-A15 PolarHBondContact O-N 3.03Å
12	V	57.2	Low	58.9	Low	113 Å²	113	132.8 Å²	132.8	69%	0.685	67%	0.673	S	S	*	*	H	α-helix	trans	-65.6	-38.6	176.2	-176.1	0	0	0	0	112.6	T10 R14 A15 S16	T10-V12 PolarHBondContact O-N 3.4Å; V12-R14 VanDerWaalsContact C-N 3.35Å; V12-A15 PolarHBondContact O-N 3.4Å; V12-S16 WeakPolarHBondContact O-CB 3.45Å; V12-S16 PolarHBondContact O-N 2.93Å
13	E	56	Low	60.9	Low	87 Å²	87	124 Å²	124	41%	0.407	65%	0.651	S	S	.	*	H	α-helix	trans	-69.7	-34	177.9	-116.9	-164.5	160.9	0	0	111.9	R9 T10 K17	R9-E13 VanDerWaalsContact CD-OE2 3.27Å; R9-E13 WeakPolarHBondContact CD-OE2 3.48Å; R9-E13 WeakPolarHBondContact CG-OE2 3.31Å; R9-E13 IonicContact NE-OE2 2.83Å; T10-E13 PolarHBondContact O-N 3.14Å; E13-K17 WeakPolarHBondContact O-CG 3.34Å; E13-K17 PolarHBondContact O-N 2.93Å; E13-K17 VanDerWaalsContact O-N 3.14Å
14	R	58.2	Low	62.9	Low	200 Å²	200	115.9 Å²	115.9	76%	0.755	63%	0.633	S	S	*	*	H	α-helix	trans	-70.1	-42.3	174.1	-91.7	-176.5	171.2	176	-2.2	111.5	M11 V12 K17 F18	M11-R14 PolarHBondContact O-N 2.98Å; V12-R14 VanDerWaalsContact C-N 3.35Å; R14-K17 PolarHBondContact O-N 2.98Å; R14-F18 WeakPolarHBondContact O-CB 3.45Å; R14-F18 PolarHBondContact O-N 2.95Å
15	A	64.6	Low	64.9	Low	56 Å²	56	109 Å²	109	46%	0.463	62%	0.616	S	S	.	*	H	α-helix	trans	-62.7	-44.2	176.6	0	0	0	0	0	111.6	M11 V12 K17 F18 V19	M11-A15 PolarHBondContact O-N 3.03Å; V12-A15 PolarHBondContact O-N 3.4Å; A15-K17 PolarHBondContact O-N 3.4Å; A15-F18 PolarHBondContact O-N 3.47Å; A15-V19 WeakPolarHBondContact O-CG2 3.24Å; A15-V19 PolarHBondContact O-N 3.42Å
16	S	71.7	Confident	66.6	Low	66 Å²	66	101 Å²	101	46%	0.462	59%	0.594	S	S	.	*	H	α-helix	trans	-62.8	-42.3	177.4	176.3	0	0	0	0	112.7	V12 F18 V19 L20	V12-S16 WeakPolarHBondContact O-CB 3.45Å; V12-S16 PolarHBondContact O-N 2.93Å; S16-F18 VanDerWaalsContact C-N 3.34Å; S16-F18 PolarHBondContact O-N 3.2Å; S16-V19 PolarHBondContact O-N 3.23Å; S16-L20 PolarHBondContact O-N 3.48Å
17	K	71.9	Confident	68.3	Low	111 Å²	111	99 Å²	99	48%	0.483	57%	0.573	S	S	.	*	H	α-helix	trans	-64.4	-38.6	173.8	-76.6	-180	179	176.5	0	112.3	E13 R14 A15 L20 V21	E13-K17 WeakPolarHBondContact O-CG 3.34Å; E13-K17 PolarHBondContact O-N 2.93Å; E13-K17 VanDerWaalsContact O-N 3.14Å; R14-K17 PolarHBondContact O-N 2.98Å; A15-K17 PolarHBondContact O-N 3.4Å; K17-L20 PolarHBondContact O-N 3.33Å; K17-V21 WeakPolarHBondContact O-CG2 3.49Å; K17-V21 PolarHBondContact O-N 2.91Å
18	F	75.1	Confident	69.9	Low	155 Å²	155	102.1 Å²	102.1	68%	0.68	57%	0.568	S	S	*	*	H	α-helix	trans	-65.7	-42.5	177.7	-143	-92	0	0	0	111.6	R14 A15 S16 L20 V21 V22	R14-F18 WeakPolarHBondContact O-CB 3.45Å; R14-F18 PolarHBondContact O-N 2.95Å; A15-F18 PolarHBondContact O-N 3.47Å; S16-F18 VanDerWaalsContact C-N 3.34Å; S16-F18 PolarHBondContact O-N 3.2Å; F18-L20 VanDerWaalsContact C-N 3.35Å; F18-L20 PolarHBondContact O-N 3.22Å; F18-V21 PolarHBondContact O-N 3.42Å; F18-V22 HydrophobicContact CD1-CG2 4.06Å; F18-V22 HydrophobicContact CE1-CG2 4.23Å; F18-V22 VanDerWaalsContact O-CG2 3.31Å; F18-V22 WeakPolarHBondContact O-CG2 3.37Å; F18-V22 PolarHBondContact O-N 3.41Å
19	V	76.3	Confident	71.6	Confident	101 Å²	101	104.8 Å²	104.8	61%	0.612	56%	0.562	S	S	*	*	H	α-helix	trans	-62.7	-40.8	175.3	173.8	0	0	0	0	111.4	A15 S16 V22 A23	A15-V19 WeakPolarHBondContact O-CG2 3.24Å; A15-V19 PolarHBondContact O-N 3.42Å; S16-V19 PolarHBondContact O-N 3.23Å; V19-V22 PolarHBondContact O-N 2.84Å; V19-A23 VanDerWaalsContact O-CB 3.24Å; V19-A23 WeakPolarHBondContact O-CB 3.27Å; V19-A23 PolarHBondContact O-N 3Å
20	L	76.8	Confident	72.9	Confident	121 Å²	121	100.9 Å²	100.9	63%	0.634	56%	0.555	S	S	*	*	H	α-helix	trans	-65.2	-38.7	175.7	-90.9	158.6	0	0	0	113.1	S16 K17 F18 G24	S16-L20 PolarHBondContact O-N 3.48Å; K17-L20 PolarHBondContact O-N 3.33Å; F18-L20 VanDerWaalsContact C-N 3.35Å; F18-L20 PolarHBondContact O-N 3.22Å; L20-G24 PolarHBondContact O-N 3.43Å
21	V	80	Confident	74	Confident	106 Å²	106	100.8 Å²	100.8	64%	0.642	55%	0.55	S	S	*	.	H	α-helix	trans	-68.6	-42	176.1	174.4	0	0	0	0	111.1	K17 F18 G24 S25	K17-V21 WeakPolarHBondContact O-CG2 3.49Å; K17-V21 PolarHBondContact O-N 2.91Å; F18-V21 PolarHBondContact O-N 3.42Å; V21-G24 PolarHBondContact O-N 2.95Å; V21-S25 PolarHBondContact O-N 2.95Å
22	V	82.7	Confident	75	Confident	73 Å²	73	96.5 Å²	96.5	44%	0.442	53%	0.53	S	S	.	.	H	α-helix	trans	-66.3	-45.1	177.1	174.4	0	0	0	0	110.9	F18 V19 G24 S25 V26	F18-V22 HydrophobicContact CD1-CG2 4.06Å; F18-V22 HydrophobicContact CE1-CG2 4.23Å; F18-V22 VanDerWaalsContact O-CG2 3.31Å; F18-V22 WeakPolarHBondContact O-CG2 3.37Å; F18-V22 PolarHBondContact O-N 3.41Å; V19-V22 PolarHBondContact O-N 2.84Å; V22-G24 VanDerWaalsContact C-N 3.34Å; V22-G24 PolarHBondContact O-N 3.45Å; V22-S25 PolarHBondContact O-N 3.28Å; V22-S25 PolarHBondContact O-OG 3.28Å; V22-V26 VanDerWaalsContact O-CG2 3.31Å; V22-V26 WeakPolarHBondContact O-CG2 3.31Å; V22-V26 PolarHBondContact O-N 2.96Å
23	A	81.6	Confident	75.8	Confident	50 Å²	50	98.8 Å²	98.8	41%	0.413	53%	0.527	S	S	.	.	H	α-helix	trans	-62.4	-41.8	175.8	0	0	0	0	0	111.6	V19 V26 C27	V19-A23 VanDerWaalsContact O-CB 3.24Å; V19-A23 WeakPolarHBondContact O-CB 3.27Å; V19-A23 PolarHBondContact O-N 3Å; A23-V26 PolarHBondContact O-N 3.37Å; A23-C27 WeakPolarHBondContact O-CB 3.2Å; A23-C27 PolarHBondContact O-N 3.47Å; A23-C27 PolarHBondContact O-SG 3.48Å
24	G	83.6	Confident	76.5	Confident	40 Å²	40	101.7 Å²	101.7	41%	0.412	54%	0.541	S	S	.	.	H	α-helix	trans	-62.5	-40.5	175	0	0	0	0	0	113	L20 V21 V22 F28	L20-G24 PolarHBondContact O-N 3.43Å; V21-G24 PolarHBondContact O-N 2.95Å; V22-G24 VanDerWaalsContact C-N 3.34Å; V22-G24 PolarHBondContact O-N 3.45Å; G24-F28 WeakPolarHBondContact O-CB 3.29Å; G24-F28 PolarHBondContact O-N 2.88Å
25	S	85.1	Confident	76.9	Confident	64 Å²	64	101.5 Å²	101.5	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-71.6	-36.4	178.2	90.7	0	0	0	0	112.1	V21 V22 F28 M29	V21-S25 PolarHBondContact O-N 2.95Å; V22-S25 PolarHBondContact O-N 3.28Å; V22-S25 PolarHBondContact O-OG 3.28Å; S25-F28 PolarHBondContact O-N 3.29Å; S25-M29 WeakPolarHBondContact O-CB 3.47Å; S25-M29 VanDerWaalsContact O-CG 3.28Å; S25-M29 WeakPolarHBondContact O-CG 3.29Å; S25-M29 PolarHBondContact O-N 3.42Å
26	V	83.3	Confident	76.8	Confident	76 Å²	76	103 Å²	103	46%	0.461	55%	0.554	S	S	.	*	H	α-helix	trans	-65.8	-44.6	174.3	174.9	0	0	0	0	110.4	V22 A23 F28 M29 L30	V22-V26 VanDerWaalsContact O-CG2 3.31Å; V22-V26 WeakPolarHBondContact O-CG2 3.31Å; V22-V26 PolarHBondContact O-N 2.96Å; A23-V26 PolarHBondContact O-N 3.37Å; V26-F28 PolarHBondContact O-N 2.99Å; V26-M29 PolarHBondContact O-N 2.98Å; V26-L30 HydrophobicContact CG1-CD1 4.01Å; V26-L30 HydrophobicContact CG1-CG 4.43Å; V26-L30 WeakPolarHBondContact O-CB 3.4Å; V26-L30 VanDerWaalsContact O-CG 3.29Å; V26-L30 WeakPolarHBondContact O-CG 3.25Å; V26-L30 PolarHBondContact O-N 3.39Å
27	C	80.6	Confident	75.5	Confident	73 Å²	73	101.6 Å²	101.6	49%	0.493	55%	0.55	S	S	.	.	H	α-helix	trans	-61.9	-41.3	174.3	-73.3	0	0	0	0	112.2	A23 L30 I31	A23-C27 WeakPolarHBondContact O-CB 3.2Å; A23-C27 PolarHBondContact O-N 3.47Å; A23-C27 PolarHBondContact O-SG 3.48Å; C27-L30 PolarHBondContact O-N 2.91Å; C27-I31 VanDerWaalsContact O-CG1 3.25Å; C27-I31 WeakPolarHBondContact O-CG1 3.4Å; C27-I31 PolarHBondContact O-N 2.89Å
28	F	82	Confident	74.1	Confident	132 Å²	132	102.4 Å²	102.4	58%	0.579	57%	0.567	S	S	*	*	H	α-helix	trans	-66.4	-38.9	177.5	-164.8	-102.4	0	0	0	112.2	G24 S25 V26 I31 L32	G24-F28 WeakPolarHBondContact O-CB 3.29Å; G24-F28 PolarHBondContact O-N 2.88Å; S25-F28 PolarHBondContact O-N 3.29Å; V26-F28 PolarHBondContact O-N 2.99Å; F28-I31 PolarHBondContact O-N 2.81Å; F28-L32 HydrophobicContact CD1-CD1 3.68Å; F28-L32 HydrophobicContact CD1-CG 4.21Å; F28-L32 HydrophobicContact CE1-CD1 3.5Å; F28-L32 VanDerWaalsContact CE1-CD1 3.5Å; F28-L32 HydrophobicContact CE1-CG 4.03Å; F28-L32 HydrophobicContact CZ-CD1 4.41Å; F28-L32 WeakPolarHBondContact O-CB 3.37Å; F28-L32 WeakPolarHBondContact O-CG 3.28Å; F28-L32 PolarHBondContact O-N 3.45Å
29	M	79.4	Confident	72.6	Confident	129 Å²	129	98.4 Å²	98.4	64%	0.635	57%	0.569	S	S	*	*	H	α-helix	trans	-67.1	-37.2	173.9	-73.7	-68.2	-104.9	0	0	112.2	S25 V26 L32 Y33	S25-M29 WeakPolarHBondContact O-CB 3.47Å; S25-M29 VanDerWaalsContact O-CG 3.28Å; S25-M29 WeakPolarHBondContact O-CG 3.29Å; S25-M29 PolarHBondContact O-N 3.42Å; V26-M29 PolarHBondContact O-N 2.98Å; M29-L32 PolarHBondContact O-N 2.9Å; M29-L32 HydrophobicContact SD-CD1 4.5Å; M29-Y33 VanDerWaalsContact O-CB 3.29Å; M29-Y33 WeakPolarHBondContact O-CB 3.43Å; M29-Y33 PolarHBondContact O-N 3.28Å
30	L	76.9	Confident	70.9	Confident	105 Å²	105	100.7 Å²	100.7	55%	0.55	58%	0.577	S	S	.	*	H	α-helix	trans	-67.4	-39.1	174.7	-72.9	170.2	0	0	0	112.2	V26 C27 Y33 Q34	V26-L30 HydrophobicContact CG1-CD1 4.01Å; V26-L30 HydrophobicContact CG1-CG 4.43Å; V26-L30 WeakPolarHBondContact O-CB 3.4Å; V26-L30 VanDerWaalsContact O-CG 3.29Å; V26-L30 WeakPolarHBondContact O-CG 3.25Å; V26-L30 PolarHBondContact O-N 3.39Å; C27-L30 PolarHBondContact O-N 2.91Å; L30-Y33 PolarHBondContact O-N 3.36Å; L30-Q34 PolarHBondContact O-N 3.32Å
31	I	76.5	Confident	69.2	Low	88 Å²	88	100.7 Å²	100.7	45%	0.451	59%	0.587	S	S	.	*	H	α-helix	trans	-66	-47.3	173.7	-67.6	166.8	0	0	0	109.6	C27 F28 Y33 Q34 Y35	C27-I31 VanDerWaalsContact O-CG1 3.25Å; C27-I31 WeakPolarHBondContact O-CG1 3.4Å; C27-I31 PolarHBondContact O-N 2.89Å; F28-I31 PolarHBondContact O-N 2.81Å; I31-Y33 VanDerWaalsContact C-N 3.27Å; I31-Y33 PolarHBondContact O-N 2.92Å; I31-Q34 PolarHBondContact O-N 3.32Å; I31-Y35 HydrophobicContact CG2-CD2 3.7Å; I31-Y35 HydrophobicContact CG2-CE2 4Å; I31-Y35 VanDerWaalsContact O-CD2 3.26Å; I31-Y35 WeakPolarHBondContact O-CD2 3.01Å; I31-Y35 PolarHBondContact O-N 2.89Å
32	L	75.4	Confident	67.5	Low	80 Å²	80	103.7 Å²	103.7	42%	0.419	60%	0.599	S	S	.	*	H	α-helix	trans	-59.3	-39.1	174.5	-77.6	174.5	0	0	0	111.7	F28 M29 Y35 A36	F28-L32 HydrophobicContact CD1-CD1 3.68Å; F28-L32 HydrophobicContact CD1-CG 4.21Å; F28-L32 HydrophobicContact CE1-CD1 3.5Å; F28-L32 VanDerWaalsContact CE1-CD1 3.5Å; F28-L32 HydrophobicContact CE1-CG 4.03Å; F28-L32 HydrophobicContact CZ-CD1 4.41Å; F28-L32 WeakPolarHBondContact O-CB 3.37Å; F28-L32 WeakPolarHBondContact O-CG 3.28Å; F28-L32 PolarHBondContact O-N 3.45Å; M29-L32 PolarHBondContact O-N 2.9Å; M29-L32 HydrophobicContact SD-CD1 4.5Å; L32-Y35 PolarHBondContact O-N 3.46Å; L32-A36 WeakPolarHBondContact O-CA 3.26Å; L32-A36 WeakPolarHBondContact O-CB 3.41Å; L32-A36 PolarHBondContact O-N 3.41Å
33	Y	74.7	Confident	65.3	Low	161 Å²	161	103.9 Å²	103.9	63%	0.631	62%	0.615	S	S	*	*	H	α-helix	trans	-66.3	-39.8	176.7	-158	-96.1	0	0	0	111.9	M29 L30 I31 Y35 G37	M29-Y33 VanDerWaalsContact O-CB 3.29Å; M29-Y33 WeakPolarHBondContact O-CB 3.43Å; M29-Y33 PolarHBondContact O-N 3.28Å; L30-Y33 PolarHBondContact O-N 3.36Å; I31-Y33 VanDerWaalsContact C-N 3.27Å; I31-Y33 PolarHBondContact O-N 2.92Å; Y33-Y35 PolarHBondContact O-N 3.41Å; Y33-G37 PolarHBondContact O-N 2.87Å
34	Q	71	Confident	63.1	Low	148 Å²	148	105.5 Å²	105.5	69%	0.692	63%	0.629	S	S	*	*	H	α-helix	trans	-67.5	-31.5	174.4	-87.3	-176.8	-16.6	0	0	113.7	L30 I31	L30-Q34 PolarHBondContact O-N 3.32Å; I31-Q34 PolarHBondContact O-N 3.32Å
35	Y	65.7	Low	61	Low	196 Å²	196	110.8 Å²	110.8	77%	0.769	66%	0.655	S	S	*	*	H	α-helix	trans	-100.8	-17.6	-176.6	-76.1	-80.6	0	0	0	114.7	I31 L32 Y33	I31-Y35 HydrophobicContact CG2-CD2 3.7Å; I31-Y35 HydrophobicContact CG2-CE2 4Å; I31-Y35 VanDerWaalsContact O-CD2 3.26Å; I31-Y35 WeakPolarHBondContact O-CD2 3.01Å; I31-Y35 PolarHBondContact O-N 2.89Å; L32-Y35 PolarHBondContact O-N 3.46Å; Y33-Y35 PolarHBondContact O-N 3.41Å
36	A	63.1	Low	58.7	Low	88 Å²	88	110.5 Å²	110.5	73%	0.727	66%	0.663	S	S	*	*	H	α-helix	trans	-100.2	-7.6	179.5	0	0	0	0	0	113.9	L32	L32-A36 WeakPolarHBondContact O-CA 3.26Å; L32-A36 WeakPolarHBondContact O-CB 3.41Å; L32-A36 PolarHBondContact O-N 3.41Å
37	G	45.1	Very low	56.2	Low	36 Å²	36	110.9 Å²	110.9	37%	0.371	68%	0.682	S	S	.	*			trans	164.3	116.4	162.6	0	0	0	0	0	115.4	Y33	Y33-G37 PolarHBondContact O-N 2.87Å
38	P	42.2	Very low	54.1	Low	129 Å²	129	118.9 Å²	118.9	84%	0.838	70%	0.702	S	S	*	*			trans	-96.1	87.4	150.5	30	-17.3	0	0	0	107.4
39	G	42.9	Very low	52.1	Low	70 Å²	70	116.4 Å²	116.4	72%	0.722	71%	0.706	S	S	*	*			trans	-128.2	-13.4	177.3	0	0	0	0	0	115.1	S41	G39-S41 PolarHBondContact O-N 3.31Å
40	L	40.9	Very low	50.4	Low	149 Å²	149	115.5 Å²	115.5	78%	0.78	71%	0.709	S	S	*	*			trans	-94.2	75.3	178.3	-77.6	156.7	0	0	0	110.1	L42	L40-L42 PolarHBondContact O-N 3.05Å
41	S	40.7	Very low	49	Very low	122 Å²	122	115 Å²	115	85%	0.853	71%	0.712	S	S	*	*			trans	-81.2	96.5	155.3	-85.9	0	0	0	0	108.5	G39	G39-S41 PolarHBondContact O-N 3.31Å
42	L	44.8	Very low	47.9	Very low	169 Å²	169	115.4 Å²	115.4	89%	0.885	72%	0.716	S	S	*	*			trans	-71.1	118.7	155.8	-89	146.8	0	0	0	107.8	L40	L40-L42 PolarHBondContact O-N 3.05Å
43	G	36.1	Very low	47.2	Very low	77 Å²	77	114.7 Å²	114.7	79%	0.794	71%	0.712	S	S	*	*			trans	107.5	79.5	161.6	0	0	0	0	0	116.3
44	A	36.3	Very low	46.5	Very low	84 Å²	84	107.6 Å²	107.6	69%	0.694	69%	0.685	S	S	*	*			trans	-178	125.5	132.4	0	0	0	0	0	108.4	G46	A44-G46 PolarHBondContact O-N 3.16Å
45	P	39.2	Very low	46.2	Very low	150 Å²	150	106.6 Å²	106.6	97%	0.974	68%	0.684	S	S	*	*	S	Bend	trans	-75.4	86.3	167.3	28.3	-21.5	0	0	0	107.3
46	G	36.1	Very low	46.9	Very low	58 Å²	58	101.3 Å²	101.3	60%	0.598	67%	0.669	S	S	*	*			trans	-169.2	56	-177.5	0	0	0	0	0	108.9	A44 R48	A44-G46 PolarHBondContact O-N 3.16Å; G46-R48 VanDerWaalsContact C-N 3.31Å; G46-R48 PolarHBondContact O-N 3.03Å
47	G	29.8	Very low	48	Very low	84 Å²	84	97.5 Å²	97.5	87%	0.866	64%	0.636	S	S	*	*			trans	-60.1	93.6	175.7	0	0	0	0	0	109.7	A49	G47-A49 PolarHBondContact O-N 3.1Å; G47-A49 VanDerWaalsContact O-N 3.15Å
48	R	37.8	Very low	50	Low	242 Å²	242	98.5 Å²	98.5	91%	0.913	64%	0.636	S	S	*	*			trans	-59.5	117.2	157.7	-92.7	179.7	175.6	151.1	-0.3	105.5	G46	G46-R48 VanDerWaalsContact C-N 3.31Å; G46-R48 PolarHBondContact O-N 3.03Å
49	A	38.7	Very low	52	Low	80 Å²	80	96.9 Å²	96.9	66%	0.661	62%	0.624	S	S	*	*			trans	-44.7	146.4	167.8	0	0	0	0	0	109	G47	G47-A49 PolarHBondContact O-N 3.1Å; G47-A49 VanDerWaalsContact O-N 3.15Å
50	P	45	Very low	54	Low	109 Å²	109	94.8 Å²	94.8	71%	0.708	60%	0.597	S	S	*	*			trans	-45.8	136.3	170.8	-19.9	29.2	0	0	0	108	D52	P50-D52 PolarHBondContact O-N 2.81Å
51	P	46.8	Very low	56.1	Low	94 Å²	94	91.1 Å²	91.1	61%	0.61	58%	0.579	S	S	*	*			trans	-49.4	125	178.4	20.3	-30.6	0	0	0	107.4	D53 D55	P51-D53 PolarHBondContact O-N 3.39Å; P51-D55 HydrophobicContact CB-CB 4.48Å
52	D	54.3	Low	58	Low	98 Å²	98	90.6 Å²	90.6	52%	0.524	57%	0.573	S	S	.	*			trans	-49	140.8	-177.5	-101.8	-32.7	0	0	0	108	P50 L54 D55	P50-D52 PolarHBondContact O-N 2.81Å; D52-L54 PolarHBondContact O-N 3.49Å; D52-D55 PolarHBondContact O-N 3.43Å
53	D	60	Low	59.9	Low	64 Å²	64	90.2 Å²	90.2	34%	0.342	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.7	-17.4	179.9	-171.5	44	0	0	0	112.2	P51 F57 R306 K311	P51-D53 PolarHBondContact O-N 3.39Å; D53-F57 VanDerWaalsContact O-CD2 3.28Å; D53-F57 WeakPolarHBondContact O-CD2 3.37Å; D53-R306 IonicContact OD2-CZ 3.57Å; D53-R306 IonicContact OD2-NH1 3.54Å; D53-R306 PolarHBondContact OD2-NH1 3.46Å; D53-R306 IonicContact OD2-NH2 3.05Å; D53-R306 PolarHBondContact OD2-NH2 3.08Å; D53-K311 IonicContact OD2-NZ 3.89Å; D53-K311 PolarHBondContact OD2-NZ 3.15Å
54	L	60	Low	62.3	Low	13 Å²	13	88.6 Å²	88.6	7%	0.068	54%	0.536	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-30	173.2	-67	-170.5	0	0	0	115.9	D52 L56 R363 E366 R367	D52-L54 PolarHBondContact O-N 3.49Å; L54-L56 VanDerWaalsContact C-N 3.26Å; L54-L56 PolarHBondContact O-N 2.73Å; L54-R363 VanDerWaalsContact CA-NH1 3.34Å; L54-R363 PolarHBondContact O-NH1 3.39Å; L54-R363 PolarHBondContact O-NH2 2.96Å; L54-E366 HydrophobicContact CD2-CB 4.07Å; L54-E366 WeakPolarHBondContact CD2-OE2 3.45Å; L54-R367 HydrophobicContact CD1-CG 4.3Å
55	D	65.6	Low	64.9	Low	126 Å²	126	92.3 Å²	92.3	67%	0.674	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-17	-177.1	-74.7	-15	0	0	0	112.2	P51 D52 F57	P51-D55 HydrophobicContact CB-CB 4.48Å; D52-D55 PolarHBondContact O-N 3.43Å; D55-F57 VanDerWaalsContact C-N 3.29Å; D55-F57 PolarHBondContact O-N 2.93Å
56	L	79.1	Confident	67.4	Low	86 Å²	86	91.9 Å²	91.9	45%	0.45	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-22.9	176.1	-82.9	124.4	0	0	0	113.3	L54 R298	L54-L56 VanDerWaalsContact C-N 3.26Å; L54-L56 PolarHBondContact O-N 2.73Å; L56-R298 PolarHBondContact O-NH2 3.48Å
57	F	86.2	Confident	70.2	Confident	8 Å²	8	95.5 Å²	95.5	4%	0.035	52%	0.521	C	S	.	.	S	Bend	trans	-110.5	142.1	-173.3	-61.3	-79.8	0	0	0	112	D53 D55 T59 R298 Q301 Y302 R363	D53-F57 VanDerWaalsContact O-CD2 3.28Å; D53-F57 WeakPolarHBondContact O-CD2 3.37Å; D55-F57 VanDerWaalsContact C-N 3.29Å; D55-F57 PolarHBondContact O-N 2.93Å; F57-T59 PolarHBondContact O-N 3.33Å; F57-R298 WeakPolarHBondContact CD1-O 3.47Å; F57-Q301 HydrophobicContact CE1-CB 4.35Å; F57-Q301 HydrophobicContact CE1-CG 4.27Å; F57-Y302 HydrophobicContact CB-CD2 4.06Å; F57-Y302 HydrophobicContact CD1-CD2 4.05Å; F57-Y302 HydrophobicContact CD1-CG 4.28Å; F57-Y302 AromaticContact CD2-CD2 3.58Å; F57-Y302 HydrophobicContact CD2-CD2 3.58Å; F57-Y302 HydrophobicContact CD2-CE2 4.28Å; F57-Y302 HydrophobicContact CE1-CD2 4.35Å; F57-Y302 AromaticContact CE2-CD2 3.94Å; F57-Y302 HydrophobicContact CE2-CD2 3.94Å; F57-Y302 AromaticContact CG-CD2 3.62Å; F57-Y302 HydrophobicContact CG-CD2 3.62Å; F57-Y302 HydrophobicContact CG-CG 4.23Å; F57-Y302 HydrophobicContact CZ-CD2 4.3Å; F57-R363 PolarHBondContact O-NH2 3.43Å
58	P	86.8	Confident	73.4	Confident	57 Å²	57	95.4 Å²	95.4	37%	0.37	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-51.9	141.3	-176.8	-26.5	33.6	0	0	0	112.6	R298 Y359	P58-R298 HydrophobicContact CG-CB 4.11Å; P58-Y359 WeakPolarHBondContact O-CE1 3.41Å; P58-Y359 PolarHBondContact O-OH 2.99Å
59	T	85.4	Confident	76.2	Confident	95 Å²	95	93.3 Å²	93.3	58%	0.583	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-61.9	145.7	169.2	48.3	0	0	0	0	109.8	F57 D61	F57-T59 PolarHBondContact O-N 3.33Å; T59-D61 PolarHBondContact O-N 2.91Å
60	P	84	Confident	79	Confident	25 Å²	25	89.9 Å²	89.9	16%	0.162	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-53.9	143.3	167.9	-23.3	32.8	0	0	0	111.1	P62 Y359 Q360 R363	P60-P62 WeakPolarHBondContact O-CD 3.41Å; P60-Y359 HydrophobicContact CG-CD1 4.26Å; P60-Y359 HydrophobicContact CG-CE1 4.03Å; P60-Q360 HydrophobicContact CB-CG 3.6Å; P60-Q360 HydrophobicContact CG-CG 4.24Å; P60-R363 HydrophobicContact CG-CB 4.05Å; P60-R363 HydrophobicContact CG-CG 4.13Å
61	D	84.5	Confident	81.5	Confident	73 Å²	73	86 Å²	86	39%	0.39	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-66.6	120.7	179	-178.3	-5.2	0	0	0	109.3	T59 H63 Y64 Q360	T59-D61 PolarHBondContact O-N 2.91Å; D61-H63 PolarHBondContact O-N 3.33Å; D61-H63 PolarHBondContact OD1-N 2.86Å; D61-Y64 PolarHBondContact O-N 3.17Å; D61-Q360 PolarHBondContact O-NE2 3.17Å
62	P	80.7	Confident	83.8	Confident	111 Å²	111	85.2 Å²	85.2	72%	0.721	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.3	179	29	-34.7	0	0	0	113.2	P60	P60-P62 WeakPolarHBondContact O-CD 3.41Å
63	H	84.8	Confident	85.7	Confident	161 Å²	161	89.8 Å²	89.8	75%	0.745	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	4.7	-179.5	-59.3	-69.2	0	0	0	113.2	D61 E65	D61-H63 PolarHBondContact O-N 3.33Å; D61-H63 PolarHBondContact OD1-N 2.86Å; H63-E65 PolarHBondContact O-N 3.47Å
64	Y	86.8	Confident	87.3	Confident	43 Å²	43	87.6 Å²	87.6	17%	0.169	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-70.8	118.4	178.2	166.6	-100.2	0	0	0	111.3	D61 K66 D353 Q356 Q357	D61-Y64 PolarHBondContact O-N 3.17Å; Y64-K66 HydrophobicContact CE1-CG 3.89Å; Y64-D353 WeakPolarHBondContact OH-CA 3.44Å; Y64-D353 PolarHBondContact OH-O 3.18Å; Y64-D353 PolarHBondContact OH-OD1 3.03Å; Y64-Q356 HydrophobicContact CD1-CB 4.33Å; Y64-Q356 HydrophobicContact CD2-CB 4.01Å; Y64-Q356 HydrophobicContact CD2-CG 4.1Å; Y64-Q356 HydrophobicContact CE1-CB 3.87Å; Y64-Q356 HydrophobicContact CE2-CB 3.58Å; Y64-Q356 HydrophobicContact CE2-CG 3.87Å; Y64-Q356 HydrophobicContact CG-CB 4.35Å; Y64-Q356 VanDerWaalsContact CZ-CB 3.48Å; Y64-Q357 HydrophobicContact CE1-CG 4.02Å; Y64-Q357 VanDerWaalsContact OH-CG 3.24Å; Y64-Q357 WeakPolarHBondContact OH-CG 3.41Å
65	E	90.5	Very high	89	Confident	162 Å²	162	87.8 Å²	87.8	76%	0.757	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-93.8	130.6	173.9	-64.9	-178.8	178.2	0	0	110.7	H63	H63-E65 PolarHBondContact O-N 3.47Å
66	K	93.2	Very high	90.3	Very high	140 Å²	140	85.9 Å²	85.9	61%	0.609	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-75.7	126.3	177.1	-63.7	179.5	-178.1	-179.2	0	109.7	Y64 Q357	Y64-K66 HydrophobicContact CE1-CG 3.89Å; K66-Q357 HydrophobicContact CD-CG 4.38Å; K66-Q357 HydrophobicContact CG-CG 4.11Å
67	K	95.1	Very high	90.9	Very high	134 Å²	134	84 Å²	84	58%	0.583	40%	0.4	S	S	*	.			trans	-95	-37.1	179	-62.7	-174.3	177.2	-171.9	0	113.3	D349 D353	K67-D349 WeakPolarHBondContact CD-OD2 3.46Å; K67-D349 IonicContact NZ-OD1 3.3Å; K67-D349 PolarHBondContact NZ-OD1 3.49Å; K67-D349 IonicContact NZ-OD2 3.24Å; K67-D353 PolarHBondContact N-OD1 3.38Å; K67-D353 PolarHBondContact N-OD2 3.39Å
68	Y	96.7	Very high	90.9	Very high	83 Å²	83	86.3 Å²	86.3	33%	0.325	42%	0.416	S	S	.	.	S	Bend	trans	-118.9	150.3	-176.3	-57.8	-84.6	0	0	0	111.3	F70 D349 Y350 D353 Q357	Y68-F70 HydrophobicContact CG-CZ 4.36Å; Y68-D349 PolarHBondContact OH-OD2 3.39Å; Y68-Y350 HydrophobicContact CD1-CD2 4.16Å; Y68-Y350 HydrophobicContact CD2-CD2 4.15Å; Y68-Y350 HydrophobicContact CE1-CD2 4.33Å; Y68-Y350 HydrophobicContact CE2-CD2 4.32Å; Y68-Y350 HydrophobicContact CG-CD2 4.07Å; Y68-D353 WeakPolarHBondContact CB-OD2 3.28Å; Y68-D353 HydrophobicContact CD2-CB 3.77Å; Y68-D353 WeakPolarHBondContact CD2-OD2 3.37Å; Y68-D353 HydrophobicContact CE2-CB 4.36Å; Y68-D353 PolarHBondContact N-OD2 2.94Å; Y68-Q357 PolarHBondContact O-NE2 3.4Å
69	Y	96.6	Very high	91.1	Very high	197 Å²	197	85.9 Å²	85.9	77%	0.773	41%	0.411	S	S	*	.			trans	-84.4	126.3	170.6	174.9	-100.5	0	0	0	110.6	P71	Y69-P71 HydrophobicContact CE1-CB 4.38Å
70	F	97.1	Very high	91.3	Very high	9 Å²	9	92.9 Å²	92.9	4%	0.039	43%	0.426	C	S	.	.			trans	-124.3	121.9	170.9	-60	-65.4	0	0	0	110	Y68 E74 L75 Y350 D353 L354 Q357	Y68-F70 HydrophobicContact CG-CZ 4.36Å; F70-E74 HydrophobicContact CB-CB 4.35Å; F70-L75 HydrophobicContact CB-CD2 3.65Å; F70-L75 HydrophobicContact CB-CG 4.04Å; F70-L75 HydrophobicContact CD2-CD2 4.29Å; F70-L75 HydrophobicContact CG-CD2 4.26Å; F70-Y350 HydrophobicContact CE1-CD2 4.32Å; F70-Y350 HydrophobicContact CE1-CE1 4.37Å; F70-Y350 AromaticContact CE1-CE2 3.48Å; F70-Y350 HydrophobicContact CE1-CE2 3.48Å; F70-Y350 VanDerWaalsContact CE1-CE2 3.48Å; F70-Y350 AromaticContact CE1-CZ 3.52Å; F70-Y350 WeakPolarHBondContact CE1-OH 3.17Å; F70-Y350 HydrophobicContact CZ-CD2 4.05Å; F70-Y350 AromaticContact CZ-CE2 3.67Å; F70-Y350 HydrophobicContact CZ-CE2 3.67Å; F70-Y350 AromaticContact CZ-CZ 3.96Å; F70-D353 HydrophobicContact CE2-CB 4.42Å; F70-D353 WeakPolarHBondContact CE2-OD2 3.45Å; F70-L354 HydrophobicContact CB-CD1 4.44Å; F70-L354 HydrophobicContact CD1-CD1 3.85Å; F70-L354 HydrophobicContact CD2-CB 4.39Å; F70-L354 HydrophobicContact CD2-CD1 3.89Å; F70-L354 HydrophobicContact CE1-CB 4.22Å; F70-L354 HydrophobicContact CE1-CD1 4.04Å; F70-L354 HydrophobicContact CE1-CG 4.49Å; F70-L354 VanDerWaalsContact CE2-CA 3.48Å; F70-L354 HydrophobicContact CE2-CB 3.74Å; F70-L354 HydrophobicContact CE2-CD1 4.08Å; F70-L354 HydrophobicContact CE2-CG 4.5Å; F70-L354 HydrophobicContact CG-CD1 3.78Å; F70-L354 HydrophobicContact CZ-CB 3.64Å; F70-L354 HydrophobicContact CZ-CD1 4.15Å; F70-L354 HydrophobicContact CZ-CG 4.36Å; F70-Q357 HydrophobicContact CD2-CG 4.45Å
71	P	96.5	Very high	91.8	Very high	26 Å²	26	92.9 Å²	92.9	17%	0.169	42%	0.424	C	S	.	.			trans	-62.8	156.6	172.2	27.7	-36.1	0	0	0	111	Y69 R73 E74 L75	Y69-P71 HydrophobicContact CE1-CB 4.38Å; P71-R73 HydrophobicContact CB-CG 4.21Å; P71-R73 HydrophobicContact CG-CG 4Å; P71-R73 PolarHBondContact O-N 3.41Å; P71-R73 VanDerWaalsContact O-N 3.09Å; P71-E74 VanDerWaalsContact CD-CD 3.42Å; P71-E74 WeakPolarHBondContact CD-OE2 3.37Å; P71-E74 HydrophobicContact CG-CB 4.33Å; P71-E74 VanDerWaalsContact CG-CD 3.42Å; P71-E74 HydrophobicContact CG-CG 3.84Å; P71-E74 WeakPolarHBondContact CG-OE1 3.34Å; P71-E74 WeakPolarHBondContact O-CA 3.43Å; P71-E74 WeakPolarHBondContact O-CB 3.36Å; P71-E74 PolarHBondContact O-N 3.1Å; P71-L75 PolarHBondContact O-N 2.91Å
72	V	95.6	Very high	92.2	Very high	78 Å²	78	93.4 Å²	93.4	47%	0.473	43%	0.427	S	S	.	.	H	α-helix	trans	-50.4	-40.8	-179	171.3	0	0	0	0	112.4	E74 L75 E76 Y361	V72-E74 PolarHBondContact O-N 3.23Å; V72-L75 PolarHBondContact O-N 3.14Å; V72-E76 HydrophobicContact CG1-CB 4.44Å; V72-E76 WeakPolarHBondContact O-CB 3.49Å; V72-E76 PolarHBondContact O-N 3.03Å; V72-Y361 HydrophobicContact CG1-CE1 4.38Å; V72-Y361 HydrophobicContact CG1-CE2 4.3Å; V72-Y361 WeakPolarHBondContact CG1-OH 3.49Å; V72-Y361 HydrophobicContact CG2-CE2 4.44Å
73	R	94.2	Very high	92.7	Very high	194 Å²	194	89.2 Å²	89.2	73%	0.732	40%	0.398	S	S	*	.	H	α-helix	trans	-59.1	-15.8	176.9	74.6	-177.7	-178.5	-175.2	-3.2	114.6	P71 R77	P71-R73 HydrophobicContact CB-CG 4.21Å; P71-R73 HydrophobicContact CG-CG 4Å; P71-R73 PolarHBondContact O-N 3.41Å; P71-R73 VanDerWaalsContact O-N 3.09Å; R73-R77 PolarHBondContact O-NH1 2.87Å
74	E	93.6	Very high	93.1	Very high	18 Å²	18	86 Å²	86	8%	0.084	38%	0.382	C	S	.	.	H	α-helix	trans	-99.5	-25.4	177.8	-68.2	171.8	-162.1	0	0	112.1	F70 P71 V72 R286 R358	F70-E74 HydrophobicContact CB-CB 4.35Å; P71-E74 VanDerWaalsContact CD-CD 3.42Å; P71-E74 WeakPolarHBondContact CD-OE2 3.37Å; P71-E74 HydrophobicContact CG-CB 4.33Å; P71-E74 VanDerWaalsContact CG-CD 3.42Å; P71-E74 HydrophobicContact CG-CG 3.84Å; P71-E74 WeakPolarHBondContact CG-OE1 3.34Å; P71-E74 WeakPolarHBondContact O-CA 3.43Å; P71-E74 WeakPolarHBondContact O-CB 3.36Å; P71-E74 PolarHBondContact O-N 3.1Å; V72-E74 PolarHBondContact O-N 3.23Å; E74-R286 HydrophobicContact CB-CG 4.45Å; E74-R286 HydrophobicContact CG-CG 4.2Å; E74-R286 IonicContact OE1-CZ 3.69Å; E74-R286 IonicContact OE1-NH1 3.39Å; E74-R286 PolarHBondContact OE1-NH1 2.93Å; E74-R286 WeakPolarHBondContact OE2-CD 3.46Å; E74-R286 IonicContact OE2-CZ 3.99Å; E74-R286 IonicContact OE2-NE 3.45Å; E74-R286 IonicContact OE2-NH1 3.82Å; E74-R286 PolarHBondContact OE2-NH1 3.35Å; E74-R358 PolarHBondContact O-NE 3.49Å; E74-R358 PolarHBondContact O-NH2 3.04Å
75	L	96.5	Very high	93.3	Very high	18 Å²	18	84.8 Å²	84.8	9%	0.094	38%	0.382	C	S	.	.	H	α-helix	trans	-83.5	-37.4	175	-58.7	-175.8	0	0	0	112.1	F70 P71 V72 R77 L354 Q357 R358 Y361	F70-L75 HydrophobicContact CB-CD2 3.65Å; F70-L75 HydrophobicContact CB-CG 4.04Å; F70-L75 HydrophobicContact CD2-CD2 4.29Å; F70-L75 HydrophobicContact CG-CD2 4.26Å; P71-L75 PolarHBondContact O-N 2.91Å; V72-L75 PolarHBondContact O-N 3.14Å; L75-R77 PolarHBondContact O-N 3.4Å; L75-L354 HydrophobicContact CD2-CD1 4.09Å; L75-Q357 HydrophobicContact CD1-CB 4.49Å; L75-Q357 HydrophobicContact CD2-CB 3.58Å; L75-R358 HydrophobicContact CD2-CG 4.24Å; L75-Y361 HydrophobicContact CB-CD1 3.94Å; L75-Y361 HydrophobicContact CB-CG 4.02Å; L75-Y361 HydrophobicContact CD1-CD2 4.4Å; L75-Y361 HydrophobicContact CD1-CG 4.31Å
76	E	93.3	Very high	93.3	Very high	86 Å²	86	78 Å²	78	40%	0.402	35%	0.351	S	S	.	.			trans	-83	106.9	-179.9	-161.4	163.7	163.7	0	0	110.5	V72 Y361	V72-E76 HydrophobicContact CG1-CB 4.44Å; V72-E76 WeakPolarHBondContact O-CB 3.49Å; V72-E76 PolarHBondContact O-N 3.03Å; E76-Y361 HydrophobicContact CB-CE1 3.76Å; E76-Y361 HydrophobicContact CG-CE1 4.05Å; E76-Y361 PolarHBondContact OE2-OH 2.82Å
77	R	91.1	Very high	93.4	Very high	47 Å²	47	71.9 Å²	71.9	18%	0.177	33%	0.325	C	S	.	.			trans	-121.9	73.6	174.2	-69.5	-72.4	175.1	-87.2	2.1	108.2	R73 L75 R286 M288 T307	R73-R77 PolarHBondContact O-NH1 2.87Å; L75-R77 PolarHBondContact O-N 3.4Å; R77-R286 PolarHBondContact NH2-O 2.86Å; R77-M288 PolarHBondContact NE-O 3.44Å; R77-T307 HydrophobicContact CB-CG2 4.26Å; R77-T307 WeakPolarHBondContact O-CA 3.49Å; R77-T307 WeakPolarHBondContact O-CB 3.47Å; R77-T307 WeakPolarHBondContact O-CG2 3.41Å; R77-T307 PolarHBondContact O-OG1 3.16Å
78	S	86.9	Confident	93.4	Very high	55 Å²	55	65.6 Å²	65.6	39%	0.385	30%	0.297	S	S	.	.			trans	-114.3	107.7	171.4	-70.6	0	0	0	0	108.3	K362	S78-K362 PolarHBondContact OG-NZ 3.04Å
79	L	89.4	Confident	93.5	Very high	48 Å²	48	61.6 Å²	61.6	25%	0.251	28%	0.282	S	S	.	.			trans	-106.8	138.9	-173.4	-58.3	171.8	0	0	0	109.1	F81 Y179 A289 T307 F308	L79-F81 PolarHBondContact O-N 3.07Å; L79-Y179 HydrophobicContact CB-CE1 4.48Å; L79-Y179 HydrophobicContact CD1-CD1 3.6Å; L79-Y179 HydrophobicContact CD1-CE1 3.81Å; L79-Y179 HydrophobicContact CD1-CG 4.29Å; L79-Y179 HydrophobicContact CD2-CE1 4.24Å; L79-Y179 HydrophobicContact CG-CE1 4.41Å; L79-A289 HydrophobicContact CD1-CB 3.49Å; L79-A289 VanDerWaalsContact CD1-CB 3.49Å; L79-T307 WeakPolarHBondContact CB-O 3.36Å; L79-T307 HydrophobicContact CD1-CG2 3.85Å; L79-T307 HydrophobicContact CG-CG2 4.2Å; L79-T307 PolarHBondContact N-O 3.02Å; L79-F308 HydrophobicContact CD1-CE1 4.18Å
80	R	90.2	Very high	93.6	Very high	242 Å²	242	52.2 Å²	52.2	91%	0.913	25%	0.245	S	C	*	.			trans	-80.9	75.8	168.3	-65.8	-175.9	-176.7	176.8	1	108.3	D82	R80-D82 PolarHBondContact O-N 3.39Å
81	F	94	Very high	93.7	Very high	26 Å²	26	52.3 Å²	52.3	11%	0.114	25%	0.245	C	C	.	.			trans	-71.4	111.3	178.9	176.8	-113	0	0	0	110.5	L79 M83 D87 I89 W136 Y179 F308 L310	L79-F81 PolarHBondContact O-N 3.07Å; F81-M83 HydrophobicContact CE1-CB 3.9Å; F81-M83 HydrophobicContact CE1-CE 3.63Å; F81-M83 HydrophobicContact CE1-CG 4.47Å; F81-M83 HydrophobicContact CZ-CB 4.38Å; F81-M83 HydrophobicContact CZ-CE 4.3Å; F81-D87 HydrophobicContact CD2-CB 3.73Å; F81-D87 HydrophobicContact CE2-CB 3.68Å; F81-I89 HydrophobicContact CD2-CG1 4.29Å; F81-I89 HydrophobicContact CE1-CD1 4.16Å; F81-I89 HydrophobicContact CE2-CD1 4.09Å; F81-I89 HydrophobicContact CE2-CG1 3.73Å; F81-I89 HydrophobicContact CZ-CD1 3.89Å; F81-I89 HydrophobicContact CZ-CG1 3.93Å; F81-W136 HydrophobicContact CE1-CE3 4.48Å; F81-W136 HydrophobicContact CZ-CE3 4.08Å; F81-Y179 AromaticContact CD2-CD2 3.74Å; F81-Y179 HydrophobicContact CD2-CD2 3.74Å; F81-Y179 AromaticContact CD2-CE2 3.75Å; F81-Y179 HydrophobicContact CD2-CE2 3.75Å; F81-Y179 HydrophobicContact CE2-CD2 4.2Å; F81-Y179 HydrophobicContact CE2-CE2 4.46Å; F81-F308 HydrophobicContact CB-CB 4.36Å; F81-F308 HydrophobicContact CB-CD1 3.94Å; F81-F308 HydrophobicContact CD2-CD1 4.17Å; F81-F308 AromaticContact CG-CD1 3.96Å; F81-F308 HydrophobicContact CG-CD1 3.96Å; F81-L310 HydrophobicContact CD1-CD1 4.22Å; F81-L310 HydrophobicContact CE1-CD1 4.22Å
82	D	93.1	Very high	93.8	Very high	83 Å²	83	51 Å²	51	44%	0.444	24%	0.237	S	C	.	.			trans	-98.3	92.7	179.4	-175	4.8	0	0	0	111.6	R80 K84 G85 D87	R80-D82 PolarHBondContact O-N 3.39Å; D82-K84 VanDerWaalsContact C-N 3.26Å; D82-K84 PolarHBondContact O-N 3.07Å; D82-K84 PolarHBondContact OD1-N 3.15Å; D82-G85 CarbonylContact O-C 3.55Å; D82-G85 PolarHBondContact O-N 2.91Å; D82-G85 PolarHBondContact OD1-N 3.45Å; D82-G85 VanDerWaalsContact OD2-CA 3.24Å; D82-G85 WeakPolarHBondContact OD2-CA 3.25Å; D82-G85 PolarHBondContact OD2-N 3.11Å; D82-D87 PolarHBondContact N-OD2 3.27Å; D82-D87 WeakPolarHBondContact O-CB 3.43Å
83	M	92.6	Very high	94	Very high	23 Å²	23	47.8 Å²	47.8	11%	0.113	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.5	177.7	-174.1	173.2	-68.9	0	0	113.1	F81 L112 R129 W136 L310	F81-M83 HydrophobicContact CE1-CB 3.9Å; F81-M83 HydrophobicContact CE1-CE 3.63Å; F81-M83 HydrophobicContact CE1-CG 4.47Å; F81-M83 HydrophobicContact CZ-CB 4.38Å; F81-M83 HydrophobicContact CZ-CE 4.3Å; M83-L112 HydrophobicContact CE-CD2 3.42Å; M83-L112 VanDerWaalsContact CE-CD2 3.42Å; M83-L112 HydrophobicContact SD-CD2 3.84Å; M83-R129 WeakPolarHBondContact O-CD 3.28Å; M83-R129 VanDerWaalsContact O-CG 3.23Å; M83-R129 WeakPolarHBondContact O-CG 3.37Å; M83-R129 PolarHBondContact O-NH1 2.83Å; M83-W136 HydrophobicContact CE-CD2 3.59Å; M83-W136 HydrophobicContact CE-CE3 3.76Å; M83-W136 HydrophobicContact CE-CG 4.04Å; M83-W136 HydrophobicContact CE-CH2 4.35Å; M83-W136 HydrophobicContact CE-CZ2 4.19Å; M83-W136 HydrophobicContact CE-CZ3 4.13Å; M83-W136 HydrophobicContact CG-CB 4.07Å; M83-W136 HydrophobicContact CG-CD2 4.48Å; M83-W136 HydrophobicContact CG-CG 3.94Å; M83-W136 HydrophobicContact SD-CD2 4.25Å; M83-W136 HydrophobicContact SD-CG 4.17Å; M83-L310 HydrophobicContact CE-CD2 4.46Å
84	K	91.7	Very high	94.2	Very high	95 Å²	95	38.5 Å²	38.5	41%	0.413	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-32.6	178.4	-68.4	-175.5	179.7	-173.7	0	111.3	D82 E113 P130 N131 R132	D82-K84 VanDerWaalsContact C-N 3.26Å; D82-K84 PolarHBondContact O-N 3.07Å; D82-K84 PolarHBondContact OD1-N 3.15Å; K84-E113 WeakPolarHBondContact CE-OE2 3.43Å; K84-E113 IonicContact NZ-OE1 3.81Å; K84-E113 PolarHBondContact NZ-OE1 2.9Å; K84-E113 IonicContact NZ-OE2 3.54Å; K84-E113 PolarHBondContact NZ-OE2 3.19Å; K84-P130 HydrophobicContact CG-CB 4.48Å; K84-P130 HydrophobicContact CG-CG 4.26Å; K84-N131 PolarHBondContact O-ND2 3.22Å; K84-N131 PolarHBondContact O-OD1 2.93Å; K84-R132 PolarHBondContact O-NH2 3.48Å
85	G	90.9	Very high	94.4	Very high	16 Å²	16	37.9 Å²	37.9	17%	0.165	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-159.7	167.6	0	0	0	0	0	112.6	D82 R129 R132	D82-G85 CarbonylContact O-C 3.55Å; D82-G85 PolarHBondContact O-N 2.91Å; D82-G85 PolarHBondContact OD1-N 3.45Å; D82-G85 VanDerWaalsContact OD2-CA 3.24Å; D82-G85 WeakPolarHBondContact OD2-CA 3.25Å; D82-G85 PolarHBondContact OD2-N 3.11Å; G85-R129 WeakPolarHBondContact O-CD 3.39Å; G85-R129 PolarHBondContact O-NE 3.42Å; G85-R129 PolarHBondContact O-NH1 3.43Å; G85-R132 PolarHBondContact O-NH2 2.82Å
86	D	91.1	Very high	94.5	Very high	20 Å²	20	39 Å²	39	11%	0.107	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.4	-170.2	-68.3	-59.2	0	0	0	114.4	R129 R132 T174 R176	D86-R129 PolarHBondContact O-NH2 2.99Å; D86-R132 IonicContact OD1-CZ 3.53Å; D86-R132 VanDerWaalsContact OD1-CZ 3.24Å; D86-R132 IonicContact OD1-NH1 3.2Å; D86-R132 PolarHBondContact OD1-NH1 2.75Å; D86-R132 IonicContact OD1-NH2 3.72Å; D86-R132 PolarHBondContact OD1-NH2 3.05Å; D86-R132 IonicContact OD2-NH2 2.67Å; D86-T174 PolarHBondContact OD2-OG1 3.04Å; D86-R176 HydrophobicContact CB-CB 4.39Å; D86-R176 VanDerWaalsContact O-CG 3.31Å; D86-R176 WeakPolarHBondContact O-CG 3.45Å
87	D	94.8	Very high	94.7	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.064	16%	0.164	C	C	.	.			trans	-61.8	139.2	-173.6	-71.1	0.1	0	0	0	112.9	F81 D82 R129 Y179	F81-D87 HydrophobicContact CD2-CB 3.73Å; F81-D87 HydrophobicContact CE2-CB 3.68Å; D82-D87 PolarHBondContact N-OD2 3.27Å; D82-D87 WeakPolarHBondContact O-CB 3.43Å; D87-R129 VanDerWaalsContact O-CZ 3.29Å; D87-R129 PolarHBondContact O-NH1 2.93Å; D87-R129 PolarHBondContact O-NH2 3.3Å; D87-Y179 HydrophobicContact CB-CD2 4.31Å; D87-Y179 HydrophobicContact CB-CE2 3.7Å; D87-Y179 VanDerWaalsContact OD2-CE2 3.28Å; D87-Y179 WeakPolarHBondContact OD2-CE2 3.25Å; D87-Y179 PolarHBondContact OD2-OH 3.02Å
88	V	96.6	Very high	94.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.2	179.9	178.5	0	0	0	0	110.9	V90 W136 F138 L164 R176 K177 F178 Y179	V88-V90 HydrophobicContact CG1-CG2 4.23Å; V88-W136 WeakPolarHBondContact CA-O 3.36Å; V88-F138 HydrophobicContact CG1-CB 4.11Å; V88-L164 HydrophobicContact CG1-CD1 3.93Å; V88-L164 HydrophobicContact CG2-CD1 4.24Å; V88-R176 HydrophobicContact CG2-CG 4.16Å; V88-K177 PolarHBondContact N-O 3.11Å; V88-F178 HydrophobicContact CB-CD1 3.98Å; V88-F178 HydrophobicContact CB-CE1 4.24Å; V88-F178 HydrophobicContact CG1-CD1 4.36Å; V88-F178 HydrophobicContact CG2-CE1 4.46Å; V88-F178 WeakPolarHBondContact O-CA 3.14Å; V88-Y179 PolarHBondContact O-N 3.24Å
89	I	98.2	Very high	95.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.2	168	-67.5	174.3	0	0	0	108.9	F81 W136 L137 F138 Y179 I181 F304 F308	F81-I89 HydrophobicContact CD2-CG1 4.29Å; F81-I89 HydrophobicContact CE1-CD1 4.16Å; F81-I89 HydrophobicContact CE2-CD1 4.09Å; F81-I89 HydrophobicContact CE2-CG1 3.73Å; F81-I89 HydrophobicContact CZ-CD1 3.89Å; F81-I89 HydrophobicContact CZ-CG1 3.93Å; I89-W136 HydrophobicContact CD1-CZ3 4.27Å; I89-W136 PolarHBondContact N-O 3.33Å; I89-L137 HydrophobicContact CB-CD1 4Å; I89-L137 HydrophobicContact CG2-CD1 3.81Å; I89-F138 PolarHBondContact O-N 3.35Å; I89-Y179 WeakPolarHBondContact CA-O 3.28Å; I89-I181 HydrophobicContact CG2-CD1 3.48Å; I89-I181 VanDerWaalsContact CG2-CD1 3.48Å; I89-I181 HydrophobicContact CG2-CG1 3.91Å; I89-I181 HydrophobicContact CG2-CG2 4.36Å; I89-F304 HydrophobicContact CD1-CZ 4.32Å; I89-F308 HydrophobicContact CD1-CD1 3.75Å; I89-F308 HydrophobicContact CD1-CD2 4.31Å; I89-F308 HydrophobicContact CD1-CE1 3.82Å; I89-F308 HydrophobicContact CD1-CE2 4.36Å; I89-F308 HydrophobicContact CD1-CG 4.02Å; I89-F308 HydrophobicContact CD1-CZ 4.13Å; I89-F308 HydrophobicContact CG1-CD1 4.12Å; I89-F308 HydrophobicContact CG1-CE1 3.76Å; I89-F308 HydrophobicContact CG1-CZ 4.14Å
90	V	98.7	Very high	95.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.4	179.2	-174.6	0	0	0	0	109.3	V88 F138 L156 V160 F178 Y179 Y180 I181	V88-V90 HydrophobicContact CG1-CG2 4.23Å; V90-F138 HydrophobicContact CB-CB 4.49Å; V90-F138 HydrophobicContact CG1-CB 4.35Å; V90-F138 HydrophobicContact CG1-CD1 4.09Å; V90-F138 HydrophobicContact CG2-CB 4.19Å; V90-L156 HydrophobicContact CG1-CD1 4.3Å; V90-L156 HydrophobicContact CG1-CD2 4.43Å; V90-V160 HydrophobicContact CG1-CG2 4.1Å; V90-V160 HydrophobicContact CG2-CG1 3.99Å; V90-F178 HydrophobicContact CG2-CB 4.16Å; V90-F178 HydrophobicContact CG2-CD1 4.03Å; V90-Y179 PolarHBondContact N-O 3.3Å; V90-Y180 HydrophobicContact CB-CD1 3.92Å; V90-Y180 HydrophobicContact CB-CE1 4.03Å; V90-Y180 HydrophobicContact CB-CG 4.27Å; V90-Y180 HydrophobicContact CG1-CD1 3.83Å; V90-Y180 HydrophobicContact CG1-CE1 3.66Å; V90-Y180 HydrophobicContact CG2-CE1 4.46Å; V90-Y180 CarbonylContact O-C 3.5Å; V90-Y180 WeakPolarHBondContact O-CA 3.47Å; V90-I181 PolarHBondContact O-N 3.04Å
91	F	98.8	Very high	96	Very high	10 Å²	10	22.7 Å²	22.7	4%	0.044	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	104	-179.5	178.4	-143.6	0	0	0	112	H93 G99 F102 L106 F138 I181	F91-H93 HydrophobicContact CD1-CB 4.41Å; F91-H93 HydrophobicContact CE1-CB 3.96Å; F91-H93 HydrophobicContact CE2-CB 4.45Å; F91-H93 HydrophobicContact CZ-CB 3.97Å; F91-H93 PolarHBondContact O-N 3.02Å; F91-G99 WeakPolarHBondContact CE1-O 3.15Å; F91-F102 HydrophobicContact CD2-CD1 4.25Å; F91-F102 HydrophobicContact CD2-CE1 4.22Å; F91-F102 HydrophobicContact CE1-CD1 4.09Å; F91-F102 AromaticContact CE2-CD1 3.76Å; F91-F102 HydrophobicContact CE2-CD1 3.76Å; F91-F102 HydrophobicContact CE2-CE1 4.1Å; F91-F102 AromaticContact CZ-CD1 3.68Å; F91-F102 HydrophobicContact CZ-CD1 3.68Å; F91-F102 HydrophobicContact CZ-CE1 4.44Å; F91-L106 HydrophobicContact CB-CD1 4.12Å; F91-L106 HydrophobicContact CD1-CD1 4.09Å; F91-L106 HydrophobicContact CG-CD1 4.13Å; F91-F138 PolarHBondContact N-O 3.42Å; F91-I181 HydrophobicContact CB-CD1 4.33Å; F91-I181 HydrophobicContact CB-CG1 4.03Å; F91-I181 HydrophobicContact CD2-CD1 4.49Å; F91-I181 HydrophobicContact CD2-CG1 4.03Å; F91-I181 HydrophobicContact CG-CG1 4.42Å
92	L	98.8	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	104.7	170.1	-169.2	168.1	0	0	0	109	I94 W153 L156 I181 T182 L254 M288	L92-I94 HydrophobicContact CD2-CD1 4.13Å; L92-I94 HydrophobicContact CD2-CG1 3.45Å; L92-I94 VanDerWaalsContact CD2-CG1 3.45Å; L92-W153 HydrophobicContact CD1-CB 3.96Å; L92-W153 HydrophobicContact CD1-CE3 4.31Å; L92-L156 HydrophobicContact CB-CD1 3.71Å; L92-L156 HydrophobicContact CD1-CD1 4.18Å; L92-L156 HydrophobicContact CG-CD1 3.74Å; L92-I181 PolarHBondContact N-O 3.49Å; L92-T182 WeakPolarHBondContact O-CB 3.46Å; L92-T182 PolarHBondContact O-OG1 2.95Å; L92-L254 HydrophobicContact CD1-CD2 4.11Å; L92-M288 HydrophobicContact CD1-CE 4.02Å
93	H	98.8	Very high	96.4	Very high	9 Å²	9	17.6 Å²	17.6	4%	0.042	10%	0.101	C	C	.	.			trans	-96.3	96.6	-176.1	180	-174.4	0	0	0	110.8	F91 G99 W145 H150	F91-H93 HydrophobicContact CD1-CB 4.41Å; F91-H93 HydrophobicContact CE1-CB 3.96Å; F91-H93 HydrophobicContact CE2-CB 4.45Å; F91-H93 HydrophobicContact CZ-CB 3.97Å; F91-H93 PolarHBondContact O-N 3.02Å; H93-G99 VanDerWaalsContact NE2-CA 3.34Å; H93-G99 WeakPolarHBondContact NE2-CA 3.41Å; H93-W145 HydrophobicContact CB-CH2 4.36Å; H93-W145 AromaticContact ND1-CH2 4Å; H93-H150 AromaticContact CD2-CE1 3.95Å; H93-H150 AromaticContact CE1-CE1 3.77Å; H93-H150 AromaticContact CG-CE1 3.88Å; H93-H150 AromaticContact ND1-CE1 3.76Å; H93-H150 AromaticContact NE2-CE1 3.89Å; H93-H150 PolarHBondContact O-ND1 3.26Å
94	I	98.8	Very high	96.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.			trans	-71.4	137.7	171.3	-57.5	169.3	0	0	0	109.7	L92 K96 T97 L184 R249 Q250 M253 L254	L92-I94 HydrophobicContact CD2-CD1 4.13Å; L92-I94 HydrophobicContact CD2-CG1 3.45Å; L92-I94 VanDerWaalsContact CD2-CG1 3.45Å; I94-K96 PolarHBondContact O-N 3.43Å; I94-T97 HydrophobicContact CB-CG2 3.89Å; I94-T97 HydrophobicContact CG2-CG2 3.91Å; I94-T97 PolarHBondContact O-OG1 3.44Å; I94-L184 HydrophobicContact CD1-CD2 3.69Å; I94-R249 HydrophobicContact CG2-CG 3.98Å; I94-Q250 HydrophobicContact CD1-CB 4.34Å; I94-Q250 HydrophobicContact CD1-CG 4.31Å; I94-Q250 HydrophobicContact CG2-CG 4.1Å; I94-M253 HydrophobicContact CB-SD 4.35Å; I94-M253 HydrophobicContact CG1-CB 4.16Å; I94-M253 HydrophobicContact CG1-CE 4.31Å; I94-M253 HydrophobicContact CG1-SD 4.32Å; I94-M253 HydrophobicContact CG2-SD 3.88Å; I94-L254 HydrophobicContact CD1-CD1 4.12Å; I94-L254 HydrophobicContact CD1-CD2 4.31Å; I94-L254 HydrophobicContact CD1-CG 3.97Å
95	Q	98.7	Very high	96.9	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.019	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	133.9	178.8	-68.9	80	-15.3	0	0	110.5	T97 H150 W204 M253	Q95-T97 VanDerWaalsContact C-N 3.3Å; Q95-T97 PolarHBondContact O-N 2.94Å; Q95-H150 VanDerWaalsContact NE2-CG 3.34Å; Q95-W204 HydrophobicContact CB-CH2 4.3Å; Q95-W204 HydrophobicContact CB-CZ2 3.99Å; Q95-W204 HydrophobicContact CG-CD2 3.84Å; Q95-W204 VanDerWaalsContact CG-CE2 3.45Å; Q95-W204 HydrophobicContact CG-CE3 4.3Å; Q95-W204 HydrophobicContact CG-CG 4.32Å; Q95-W204 HydrophobicContact CG-CH2 4.13Å; Q95-W204 HydrophobicContact CG-CZ2 3.59Å; Q95-W204 HydrophobicContact CG-CZ3 4.44Å; Q95-M253 PolarHBondContact OE1-SD 3.49Å
96	K	97.7	Very high	97.3	Very high	42 Å²	42	18.7 Å²	18.7	18%	0.183	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	16.5	168.9	-38.6	-48.6	-56.1	-179.8	0	116.3	I94 G98 R185 R190 S193 E194 H197 W204	I94-K96 PolarHBondContact O-N 3.43Å; K96-G98 VanDerWaalsContact C-N 3.33Å; K96-G98 PolarHBondContact O-N 3.06Å; K96-R185 VanDerWaalsContact O-CD 3.29Å; K96-R185 WeakPolarHBondContact O-CD 3.38Å; K96-R185 PolarHBondContact O-NH1 3.3Å; K96-R190 HydrophobicContact CB-CG 4.2Å; K96-S193 VanDerWaalsContact CE-O 3.28Å; K96-S193 WeakPolarHBondContact CE-O 3.26Å; K96-S193 WeakPolarHBondContact CE-OG 3.38Å; K96-E194 HydrophobicContact CG-CB 3.72Å; K96-E194 HydrophobicContact CG-CG 4.08Å; K96-H197 HydrophobicContact CD-CB 4.25Å; K96-H197 PolarHBondContact NZ-ND1 3.07Å; K96-W204 HydrophobicContact CD-CH2 4.1Å; K96-W204 HydrophobicContact CD-CZ2 3.98Å
97	T	97.9	Very high	97.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-94.4	26	173.5	64.1	0	0	0	0	113.5	I94 Q95 G99 L183 R185 R190 T294	I94-T97 HydrophobicContact CB-CG2 3.89Å; I94-T97 HydrophobicContact CG2-CG2 3.91Å; I94-T97 PolarHBondContact O-OG1 3.44Å; Q95-T97 VanDerWaalsContact C-N 3.3Å; Q95-T97 PolarHBondContact O-N 2.94Å; T97-G99 PolarHBondContact O-N 3.39Å; T97-L183 WeakPolarHBondContact CB-O 3.48Å; T97-L183 WeakPolarHBondContact CG2-O 3.38Å; T97-L183 WeakPolarHBondContact O-CB 3.24Å; T97-L183 WeakPolarHBondContact O-CD1 3.42Å; T97-L183 PolarHBondContact OG1-O 3.1Å; T97-R185 HydrophobicContact CG2-CB 4.11Å; T97-R190 HydrophobicContact CG2-CG 4.25Å; T97-T294 PolarHBondContact O-OG1 2.7Å
98	G	95.9	Very high	97.7	Very high	26 Å²	26	23.2 Å²	23.2	27%	0.268	12%	0.118	S	C	.	.	S	Bend	trans	72.2	9.1	-177.5	0	0	0	0	0	114.9	K96 T100 T101 F102	K96-G98 VanDerWaalsContact C-N 3.33Å; K96-G98 PolarHBondContact O-N 3.06Å; G98-T100 PolarHBondContact O-N 2.93Å; G98-T100 VanDerWaalsContact O-N 3.1Å; G98-T101 PolarHBondContact O-N 2.89Å; G98-F102 PolarHBondContact O-N 3.1Å
99	G	96.5	Very high	97.8	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-63.4	-18.1	-175.2	0	0	0	0	0	115.9	F91 H93 T97 G103	F91-G99 WeakPolarHBondContact CE1-O 3.15Å; H93-G99 VanDerWaalsContact NE2-CA 3.34Å; H93-G99 WeakPolarHBondContact NE2-CA 3.41Å; T97-G99 PolarHBondContact O-N 3.39Å; G99-G103 WeakPolarHBondContact O-CA 3.08Å; G99-G103 PolarHBondContact O-N 2.72Å
100	T	96	Very high	97.7	Very high	48 Å²	48	24.2 Å²	24.2	29%	0.294	12%	0.123	S	C	.	.	H	α-helix	trans	-65	-42.6	167.9	-64.3	0	0	0	0	112	G98 R104 F141	G98-T100 PolarHBondContact O-N 2.93Å; G98-T100 VanDerWaalsContact O-N 3.1Å; T100-R104 WeakPolarHBondContact O-CG 3.46Å; T100-R104 PolarHBondContact O-N 3.34Å; T100-F141 HydrophobicContact CG2-CZ 4.18Å; T100-F141 WeakPolarHBondContact O-CE2 3.1Å
101	T	96.5	Very high	97.6	Very high	61 Å²	61	32.1 Å²	32.1	37%	0.374	15%	0.153	S	C	.	.	H	α-helix	trans	-70.5	-49.1	178.6	-58.1	0	0	0	0	110.3	G98 G103 R104 H105	G98-T101 PolarHBondContact O-N 2.89Å; T101-G103 PolarHBondContact O-N 2.83Å; T101-R104 WeakPolarHBondContact O-CB 3.47Å; T101-R104 PolarHBondContact O-N 3.04Å; T101-H105 PolarHBondContact O-CD2 3.02Å; T101-H105 PolarHBondContact O-N 3.45Å
102	F	97.8	Very high	97.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-42.4	179.5	-177.2	-109.1	0	0	0	113.1	F91 G98 R104 H105 L106 I181 L183 F290 T300 F304 F316	F91-F102 HydrophobicContact CD2-CD1 4.25Å; F91-F102 HydrophobicContact CD2-CE1 4.22Å; F91-F102 HydrophobicContact CE1-CD1 4.09Å; F91-F102 AromaticContact CE2-CD1 3.76Å; F91-F102 HydrophobicContact CE2-CD1 3.76Å; F91-F102 HydrophobicContact CE2-CE1 4.1Å; F91-F102 AromaticContact CZ-CD1 3.68Å; F91-F102 HydrophobicContact CZ-CD1 3.68Å; F91-F102 HydrophobicContact CZ-CE1 4.44Å; G98-F102 PolarHBondContact O-N 3.1Å; F102-R104 VanDerWaalsContact C-N 3.27Å; F102-R104 PolarHBondContact O-N 2.69Å; F102-H105 WeakPolarHBondContact O-CA 3.11Å; F102-H105 WeakPolarHBondContact O-CB 3.41Å; F102-H105 PolarHBondContact O-N 2.85Å; F102-L106 HydrophobicContact CD1-CD1 4.22Å; F102-L106 HydrophobicContact CE1-CD1 3.88Å; F102-L106 HydrophobicContact CE1-CD2 4.29Å; F102-L106 HydrophobicContact CE1-CG 4.21Å; F102-L106 HydrophobicContact CZ-CD1 4.47Å; F102-L106 HydrophobicContact CZ-CD2 4.04Å; F102-L106 HydrophobicContact CZ-CG 4.39Å; F102-L106 PolarHBondContact O-N 3.24Å; F102-I181 HydrophobicContact CE1-CD1 3.83Å; F102-I181 HydrophobicContact CZ-CD1 4.13Å; F102-L183 HydrophobicContact CB-CD1 3.32Å; F102-L183 HydrophobicContact CB-CG 4.14Å; F102-L183 HydrophobicContact CD1-CD1 4.06Å; F102-L183 HydrophobicContact CD1-CD2 4.33Å; F102-L183 HydrophobicContact CD1-CG 3.9Å; F102-L183 HydrophobicContact CD2-CD1 4.35Å; F102-L183 HydrophobicContact CD2-CD2 4.4Å; F102-L183 HydrophobicContact CE1-CG 4.48Å; F102-L183 HydrophobicContact CG-CD1 3.67Å; F102-L183 HydrophobicContact CG-CD2 4.24Å; F102-L183 HydrophobicContact CG-CG 3.97Å; F102-F290 HydrophobicContact CE2-CE1 4.25Å; F102-F290 HydrophobicContact CZ-CD1 4.42Å; F102-F290 AromaticContact CZ-CE1 3.77Å; F102-F290 HydrophobicContact CZ-CE1 3.77Å; F102-T300 HydrophobicContact CD2-CG2 4.49Å; F102-T300 HydrophobicContact CE2-CG2 4.32Å; F102-F304 HydrophobicContact CE2-CD2 4.39Å; F102-F304 AromaticContact CZ-CD2 3.9Å; F102-F304 HydrophobicContact CZ-CD2 3.9Å; F102-F304 HydrophobicContact CZ-CE2 4.19Å; F102-F316 AromaticContact CD2-CE2 3.81Å; F102-F316 HydrophobicContact CD2-CE2 3.81Å; F102-F316 HydrophobicContact CD2-CZ 4.1Å; F102-F316 HydrophobicContact CE2-CE2 4.08Å; F102-F316 HydrophobicContact CE2-CZ 4.24Å
103	G	97.9	Very high	97.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-38.6	174.2	0	0	0	0	0	112.5	G99 T101 L106 V107	G99-G103 WeakPolarHBondContact O-CA 3.08Å; G99-G103 PolarHBondContact O-N 2.72Å; T101-G103 PolarHBondContact O-N 2.83Å; G103-L106 PolarHBondContact O-N 2.76Å; G103-V107 PolarHBondContact O-N 2.81Å
104	R	97.3	Very high	97.1	Very high	126 Å²	126	41.8 Å²	41.8	48%	0.475	20%	0.203	S	C	.	.	H	α-helix	trans	-66	-39.5	173.2	-75	-178.8	-172.4	132	-3.2	111.9	T100 T101 F102 L106 V107 Q108 F141	T100-R104 WeakPolarHBondContact O-CG 3.46Å; T100-R104 PolarHBondContact O-N 3.34Å; T101-R104 WeakPolarHBondContact O-CB 3.47Å; T101-R104 PolarHBondContact O-N 3.04Å; F102-R104 VanDerWaalsContact C-N 3.27Å; F102-R104 PolarHBondContact O-N 2.69Å; R104-L106 VanDerWaalsContact C-N 3.27Å; R104-L106 PolarHBondContact O-N 2.91Å; R104-V107 WeakPolarHBondContact O-CG2 3.4Å; R104-V107 PolarHBondContact O-N 2.98Å; R104-Q108 WeakPolarHBondContact O-CB 3.33Å; R104-Q108 PolarHBondContact O-N 3.33Å; R104-F141 HydrophobicContact CG-CD2 4.32Å; R104-F141 HydrophobicContact CG-CE2 3.91Å; R104-F141 HydrophobicContact CG-CZ 4.4Å
105	H	98	Very high	97	Very high	32 Å²	32	46.2 Å²	46.2	15%	0.148	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-40.3	174.4	-74.7	-53.6	0	0	0	112.2	T101 F102 V107 N109 V110 F312 F316	T101-H105 PolarHBondContact O-CD2 3.02Å; T101-H105 PolarHBondContact O-N 3.45Å; F102-H105 WeakPolarHBondContact O-CA 3.11Å; F102-H105 WeakPolarHBondContact O-CB 3.41Å; F102-H105 PolarHBondContact O-N 2.85Å; H105-V107 VanDerWaalsContact C-N 3.34Å; H105-V107 PolarHBondContact O-N 2.87Å; H105-N109 HydrophobicContact CB-CB 4.15Å; H105-N109 WeakPolarHBondContact ND1-CB 3.45Å; H105-N109 PolarHBondContact ND1-ND2 3.34Å; H105-N109 CarbonylContact O-C 3.57Å; H105-N109 WeakPolarHBondContact O-CA 3.37Å; H105-N109 WeakPolarHBondContact O-CB 2.95Å; H105-N109 PolarHBondContact O-N 2.75Å; H105-V110 PolarHBondContact O-N 2.88Å; H105-F312 HydrophobicContact CB-CD1 4.27Å; H105-F312 HydrophobicContact CB-CE1 3.84Å; H105-F316 HydrophobicContact CB-CE1 3.65Å; H105-F316 HydrophobicContact CB-CZ 3.67Å; H105-F316 AromaticContact CD2-CD1 3.63Å; H105-F316 AromaticContact CD2-CE1 3.41Å; H105-F316 VanDerWaalsContact CD2-CE1 3.41Å; H105-F316 WeakPolarHBondContact CD2-CE1 3.25Å; H105-F316 AromaticContact CD2-CE2 3.95Å; H105-F316 AromaticContact CD2-CZ 3.57Å; H105-F316 AromaticContact CE1-CD1 3.67Å; H105-F316 AromaticContact CE1-CE1 3.89Å; H105-F316 AromaticContact CG-CD1 3.87Å; H105-F316 AromaticContact CG-CE1 3.31Å; H105-F316 AromaticContact CG-CZ 3.66Å; H105-F316 AromaticContact ND1-CD1 3.9Å; H105-F316 AromaticContact ND1-CE1 3.64Å; H105-F316 AromaticContact NE2-CD1 3.53Å; H105-F316 AromaticContact NE2-CE1 3.8Å; H105-F316 AromaticContact NE2-CG 3.85Å
106	L	98.3	Very high	97	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-37	178.1	-63.6	176	0	0	0	113.3	F91 F102 G103 R104 V110 L137 I181 F304	F91-L106 HydrophobicContact CB-CD1 4.12Å; F91-L106 HydrophobicContact CD1-CD1 4.09Å; F91-L106 HydrophobicContact CG-CD1 4.13Å; F102-L106 HydrophobicContact CD1-CD1 4.22Å; F102-L106 HydrophobicContact CE1-CD1 3.88Å; F102-L106 HydrophobicContact CE1-CD2 4.29Å; F102-L106 HydrophobicContact CE1-CG 4.21Å; F102-L106 HydrophobicContact CZ-CD1 4.47Å; F102-L106 HydrophobicContact CZ-CD2 4.04Å; F102-L106 HydrophobicContact CZ-CG 4.39Å; F102-L106 PolarHBondContact O-N 3.24Å; G103-L106 PolarHBondContact O-N 2.76Å; R104-L106 VanDerWaalsContact C-N 3.27Å; R104-L106 PolarHBondContact O-N 2.91Å; L106-V110 WeakPolarHBondContact O-CG2 3.43Å; L106-L137 HydrophobicContact CB-CD2 3.93Å; L106-L137 HydrophobicContact CD1-CD1 4.2Å; L106-I181 HydrophobicContact CD1-CD1 3.98Å; L106-I181 HydrophobicContact CD2-CD1 4.38Å; L106-F304 HydrophobicContact CD2-CD2 4.48Å; L106-F304 HydrophobicContact CD2-CE1 4.33Å; L106-F304 HydrophobicContact CD2-CE2 3.56Å; L106-F304 HydrophobicContact CD2-CZ 3.47Å; L106-F304 VanDerWaalsContact CD2-CZ 3.47Å
107	V	98	Very high	96.9	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-94.5	-22.7	-176.3	-62.5	0	0	0	0	114.4	G103 R104 H105 C116 C125 L137 F141	G103-V107 PolarHBondContact O-N 2.81Å; R104-V107 WeakPolarHBondContact O-CG2 3.4Å; R104-V107 PolarHBondContact O-N 2.98Å; H105-V107 VanDerWaalsContact C-N 3.34Å; H105-V107 PolarHBondContact O-N 2.87Å; V107-C116 WeakPolarHBondContact O-CB 3.45Å; V107-C125 HydrophobicContact CB-CB 4.29Å; V107-L137 HydrophobicContact CG1-CD2 3.71Å; V107-F141 HydrophobicContact CG1-CB 3.97Å; V107-F141 HydrophobicContact CG2-CB 4.09Å
108	Q	97.2	Very high	96.9	Very high	119 Å²	119	50.2 Å²	50.2	56%	0.556	26%	0.259	S	S	*	.	H	α-helix	trans	-123.9	-15.3	-171.7	-72.9	166.9	-12.5	0	0	114.5	R104 C118	R104-Q108 WeakPolarHBondContact O-CB 3.33Å; R104-Q108 PolarHBondContact O-N 3.33Å; Q108-C118 HydrophobicContact CG-CB 4.47Å
109	N	97.5	Very high	96.8	Very high	12 Å²	12	56 Å²	56	6%	0.064	27%	0.273	C	S	.	.	S	Bend	trans	-122.2	1.9	-170.3	-163.1	39	0	0	0	113.7	H105 F312 I313 R314	H105-N109 HydrophobicContact CB-CB 4.15Å; H105-N109 WeakPolarHBondContact ND1-CB 3.45Å; H105-N109 PolarHBondContact ND1-ND2 3.34Å; H105-N109 CarbonylContact O-C 3.57Å; H105-N109 WeakPolarHBondContact O-CA 3.37Å; H105-N109 WeakPolarHBondContact O-CB 2.95Å; H105-N109 PolarHBondContact O-N 2.75Å; N109-F312 HydrophobicContact CB-CD1 4.07Å; N109-F312 CarbonylContact O-C 3.52Å; N109-F312 WeakPolarHBondContact O-CA 3.34Å; N109-F312 WeakPolarHBondContact O-CB 3.25Å; N109-F312 WeakPolarHBondContact O-CD1 3.33Å; N109-I313 PolarHBondContact O-N 2.96Å; N109-R314 PolarHBondContact ND2-O 3.08Å; N109-R314 WeakPolarHBondContact OD1-CB 3.2Å; N109-R314 PolarHBondContact OD1-N 3.39Å
110	V	97	Very high	96.6	Very high	10 Å²	10	62.3 Å²	62.3	6%	0.061	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-85.4	133.8	172.9	-173	0	0	0	0	109	H105 L106 L112 L310 F312	H105-V110 PolarHBondContact O-N 2.88Å; L106-V110 WeakPolarHBondContact O-CG2 3.43Å; V110-L112 HydrophobicContact CB-CD1 4.4Å; V110-L112 HydrophobicContact CB-CD2 4.24Å; V110-L112 HydrophobicContact CB-CG 4.1Å; V110-L112 HydrophobicContact CG1-CD2 3.53Å; V110-L112 HydrophobicContact CG1-CG 3.9Å; V110-L112 PolarHBondContact O-N 3.48Å; V110-L310 HydrophobicContact CG1-CB 4.14Å; V110-L310 HydrophobicContact CG1-CD1 4.19Å; V110-L310 HydrophobicContact CG1-CD2 4.47Å; V110-F312 HydrophobicContact CG2-CD1 3.96Å; V110-F312 HydrophobicContact CG2-CE1 3.59Å; V110-F312 HydrophobicContact CG2-CZ 4.37Å
111	R	96.5	Very high	96.3	Very high	166 Å²	166	64.3 Å²	64.3	63%	0.626	34%	0.344	S	S	*	.			trans	-75.5	111.2	172.2	-176	178.8	-66.6	171.8	0.7	108.8	K311 I313	R111-K311 WeakPolarHBondContact CB-O 3.38Å; R111-K311 PolarHBondContact N-O 3.46Å; R111-I313 HydrophobicContact CB-CG1 4.07Å
112	L	95.6	Very high	96.1	Very high	27 Å²	27	66.8 Å²	66.8	14%	0.141	35%	0.351	C	S	.	.			trans	-127.6	151	-175.5	-59.9	177.4	0	0	0	110.5	M83 V110 V114 W136 L310	M83-L112 HydrophobicContact CE-CD2 3.42Å; M83-L112 VanDerWaalsContact CE-CD2 3.42Å; M83-L112 HydrophobicContact SD-CD2 3.84Å; V110-L112 HydrophobicContact CB-CD1 4.4Å; V110-L112 HydrophobicContact CB-CD2 4.24Å; V110-L112 HydrophobicContact CB-CG 4.1Å; V110-L112 HydrophobicContact CG1-CD2 3.53Å; V110-L112 HydrophobicContact CG1-CG 3.9Å; V110-L112 PolarHBondContact O-N 3.48Å; L112-V114 VanDerWaalsContact C-N 3.28Å; L112-W136 HydrophobicContact CD1-CH2 4.19Å; L112-W136 HydrophobicContact CD1-CZ2 3.46Å; L112-W136 VanDerWaalsContact CD1-CZ2 3.46Å; L112-L310 HydrophobicContact CD2-CD2 4.37Å
113	E	94.2	Very high	95.8	Very high	137 Å²	137	75 Å²	75	64%	0.64	39%	0.387	S	S	*	.	S	Bend	trans	-59.2	-43	170.1	-178.2	-178.7	162.3	0	0	110.8	K84 P130	K84-E113 WeakPolarHBondContact CE-OE2 3.43Å; K84-E113 IonicContact NZ-OE1 3.81Å; K84-E113 PolarHBondContact NZ-OE1 2.9Å; K84-E113 IonicContact NZ-OE2 3.54Å; K84-E113 PolarHBondContact NZ-OE2 3.19Å; E113-P130 HydrophobicContact CB-CG 4.29Å; E113-P130 HydrophobicContact CG-CB 4.45Å
114	V	95.6	Very high	95.7	Very high	59 Å²	59	80 Å²	80	36%	0.358	41%	0.408	S	S	.	.	S	Bend	trans	-122.5	103.9	171.8	-179.7	0	0	0	0	108.4	L112 P130	L112-V114 VanDerWaalsContact C-N 3.28Å; V114-P130 HydrophobicContact CG2-CB 3.95Å; V114-P130 HydrophobicContact CG2-CG 4.45Å
115	P	96.8	Very high	95.7	Very high	93 Å²	93	74.3 Å²	74.3	60%	0.604	39%	0.388	S	S	*	.			trans	-62.8	158.1	175.9	-23.1	34.4	0	0	0	112.7
116	C	97.8	Very high	95.7	Very high	16 Å²	16	74.8 Å²	74.8	11%	0.108	39%	0.393	C	S	.	.			trans	-67.4	139.7	171.8	-55.3	0	0	0	0	111.4	V107 C118 C125 T126 C127	V107-C116 WeakPolarHBondContact O-CB 3.45Å; C116-C118 PolarHBondContact O-N 3.25Å; C116-C125 HydrophobicContact CB-CB 4.2Å; C116-T126 CarbonylContact C-O 3.58Å; C116-T126 VanDerWaalsContact CA-O 3.29Å; C116-T126 WeakPolarHBondContact CA-O 3.25Å; C116-C127 HydrophobicContact CB-CB 4.06Å; C116-C127 WeakPolarHBondContact CB-SG 3.44Å; C116-C127 VanDerWaalsContact SG-CA 3.53Å; C116-C127 WeakPolarHBondContact SG-CB 3.45Å; C116-C127 CovalentContact SG-SG 2.04Å; C116-C127 PolarHBondContact SG-SG 3.01Å
117	D	97.2	Very high	95.6	Very high	76 Å²	76	74.9 Å²	74.9	41%	0.406	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-80.5	105	172	179.6	17.3	0	0	0	109.9	R119 C125 T126	D117-R119 IonicContact OD2-CZ 3.51Å; D117-R119 IonicContact OD2-NE 3.72Å; D117-R119 PolarHBondContact OD2-NE 3.49Å; D117-R119 IonicContact OD2-NH2 3.45Å; D117-R119 PolarHBondContact OD2-NH2 2.66Å; D117-C125 CarbonylContact O-C 3.53Å; D117-C125 VanDerWaalsContact O-CA 3.23Å; D117-C125 WeakPolarHBondContact O-CA 3.49Å; D117-C125 WeakPolarHBondContact O-CB 3.27Å; D117-T126 PolarHBondContact N-O 3.44Å; D117-T126 PolarHBondContact O-N 3.42Å
118	C	96.7	Very high	95.5	Very high	37 Å²	37	78.8 Å²	78.8	25%	0.25	41%	0.408	C	S	.	.			trans	-110.7	90.6	178.7	-68.2	0	0	0	0	110.9	Q108 C116 C125	Q108-C118 HydrophobicContact CG-CB 4.47Å; C116-C118 PolarHBondContact O-N 3.25Å; C118-C125 VanDerWaalsContact CA-SG 3.56Å; C118-C125 HydrophobicContact CB-CB 4.01Å; C118-C125 WeakPolarHBondContact CB-SG 3.22Å; C118-C125 WeakPolarHBondContact SG-CB 3Å; C118-C125 CovalentContact SG-SG 2.03Å; C118-C125 PolarHBondContact SG-SG 3.03Å
119	R	94.1	Very high	95.4	Very high	147 Å²	147	73.4 Å²	73.4	56%	0.555	38%	0.383	S	S	*	.			trans	-73.8	137.7	-178.4	-60.6	-177	-174	-167.5	-0.7	112.3	D117 G121 Q122	D117-R119 IonicContact OD2-CZ 3.51Å; D117-R119 IonicContact OD2-NE 3.72Å; D117-R119 PolarHBondContact OD2-NE 3.49Å; D117-R119 IonicContact OD2-NH2 3.45Å; D117-R119 PolarHBondContact OD2-NH2 2.66Å; R119-G121 PolarHBondContact O-N 3.44Å; R119-Q122 HydrophobicContact CB-CG 4.23Å; R119-Q122 PolarHBondContact O-N 2.93Å; R119-Q122 VanDerWaalsContact O-N 3.09Å
120	P	91.6	Very high	95.2	Very high	135 Å²	135	74.4 Å²	74.4	88%	0.877	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	137.5	173.9	-26.6	34.9	0	0	0	112.1	Q122	P120-Q122 PolarHBondContact O-N 3.31Å
121	G	90.4	Very high	95	Very high	90 Å²	90	78.7 Å²	78.7	93%	0.928	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-18.6	-177.4	0	0	0	0	0	115.1	R119	R119-G121 PolarHBondContact O-N 3.44Å
122	Q	91.8	Very high	94.7	Very high	113 Å²	113	72.9 Å²	72.9	53%	0.528	39%	0.391	S	S	.	.			trans	-87.6	132.4	174.7	-62.4	-168.7	-7.3	0	0	111.1	R119 P120 K124	R119-Q122 HydrophobicContact CB-CG 4.23Å; R119-Q122 PolarHBondContact O-N 2.93Å; R119-Q122 VanDerWaalsContact O-N 3.09Å; P120-Q122 PolarHBondContact O-N 3.31Å; Q122-K124 VanDerWaalsContact C-N 3.34Å
123	K	91.5	Very high	94.5	Very high	173 Å²	173	81.3 Å²	81.3	75%	0.752	42%	0.421	S	S	*	.	S	Bend	trans	-75.5	-25.5	174	-69.9	179.3	-179.1	169	0	112.3	F141	K123-F141 VanDerWaalsContact O-CD1 3.23Å; K123-F141 WeakPolarHBondContact O-CD1 3.06Å
124	K	96.6	Very high	94.4	Very high	105 Å²	105	76 Å²	76	46%	0.457	40%	0.396	S	S	.	.			trans	-107.7	126.2	-175.1	-171.3	-176.1	74.5	177	0	109.1	Q122 S142	Q122-K124 VanDerWaalsContact C-N 3.34Å; K124-S142 VanDerWaalsContact CD-O 3.24Å; K124-S142 WeakPolarHBondContact CD-O 3.35Å; K124-S142 WeakPolarHBondContact CG-O 3.43Å
125	C	97.6	Very high	94.4	Very high	6 Å²	6	74.5 Å²	74.5	4%	0.041	39%	0.387	C	S	.	.			trans	-90.4	160.1	169.8	-52.9	0	0	0	0	110.6	V107 C116 D117 C118 F141 S142	V107-C125 HydrophobicContact CB-CB 4.29Å; C116-C125 HydrophobicContact CB-CB 4.2Å; D117-C125 CarbonylContact O-C 3.53Å; D117-C125 VanDerWaalsContact O-CA 3.23Å; D117-C125 WeakPolarHBondContact O-CA 3.49Å; D117-C125 WeakPolarHBondContact O-CB 3.27Å; C118-C125 VanDerWaalsContact CA-SG 3.56Å; C118-C125 HydrophobicContact CB-CB 4.01Å; C118-C125 WeakPolarHBondContact CB-SG 3.22Å; C118-C125 WeakPolarHBondContact SG-CB 3Å; C118-C125 CovalentContact SG-SG 2.03Å; C118-C125 PolarHBondContact SG-SG 3.03Å; C125-F141 PolarHBondContact N-O 2.04Å; C125-S142 WeakPolarHBondContact O-CA 3.14Å
126	T	97.1	Very high	94.3	Very high	43 Å²	43	70.1 Å²	70.1	26%	0.264	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-103.4	109.1	174.1	-55.9	0	0	0	0	109.4	C116 D117 Y128	C116-T126 CarbonylContact C-O 3.58Å; C116-T126 VanDerWaalsContact CA-O 3.29Å; C116-T126 WeakPolarHBondContact CA-O 3.25Å; D117-T126 PolarHBondContact N-O 3.44Å; D117-T126 PolarHBondContact O-N 3.42Å; T126-Y128 HydrophobicContact CG2-CD1 3.87Å; T126-Y128 HydrophobicContact CG2-CD2 3.61Å; T126-Y128 HydrophobicContact CG2-CE1 3.48Å; T126-Y128 VanDerWaalsContact CG2-CE1 3.48Å; T126-Y128 HydrophobicContact CG2-CE2 3.21Å; T126-Y128 HydrophobicContact CG2-CG 3.92Å
127	C	97	Very high	94.3	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.014	35%	0.353	C	S	.	.			trans	-106.7	76.9	-176.7	-67.6	0	0	0	0	111.1	C116 T135 W136 L137	C116-C127 HydrophobicContact CB-CB 4.06Å; C116-C127 WeakPolarHBondContact CB-SG 3.44Å; C116-C127 VanDerWaalsContact SG-CA 3.53Å; C116-C127 WeakPolarHBondContact SG-CB 3.45Å; C116-C127 CovalentContact SG-SG 2.04Å; C116-C127 PolarHBondContact SG-SG 3.01Å; C127-T135 WeakPolarHBondContact O-CA 3.42Å; C127-T135 PolarHBondContact O-OG1 2.75Å; C127-W136 HydrophobicContact CB-CZ2 4.23Å; C127-W136 PolarHBondContact O-N 3.19Å; C127-L137 HydrophobicContact CB-CB 4.36Å
128	Y	95.6	Very high	94.4	Very high	89 Å²	89	66.1 Å²	66.1	35%	0.349	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	156.4	179.1	-65.7	-38.9	0	0	0	113	T126 R133 E134 W136	T126-Y128 HydrophobicContact CG2-CD1 3.87Å; T126-Y128 HydrophobicContact CG2-CD2 3.61Å; T126-Y128 HydrophobicContact CG2-CE1 3.48Å; T126-Y128 VanDerWaalsContact CG2-CE1 3.48Å; T126-Y128 HydrophobicContact CG2-CE2 3.21Å; T126-Y128 HydrophobicContact CG2-CG 3.92Å; Y128-R133 HydrophobicContact CD1-CB 4.5Å; Y128-R133 HydrophobicContact CE1-CB 4.35Å; Y128-R133 HydrophobicContact CE2-CB 4.42Å; Y128-R133 HydrophobicContact CE2-CG 4.44Å; Y128-E134 CarbonylContact C-O 3.53Å; Y128-E134 VanDerWaalsContact CA-O 3.27Å; Y128-E134 WeakPolarHBondContact CA-O 3.35Å; Y128-W136 VanDerWaalsContact O-CD1 3.31Å; Y128-W136 PolarHBondContact O-NE1 3.33Å
129	R	95.1	Very high	94.5	Very high	5 Å²	5	64.4 Å²	64.4	2%	0.019	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	153.1	166.9	-60.6	179.4	-172.7	-72.2	-1.7	109.9	M83 G85 D86 D87 N131 R132 E134 T135 W136	M83-R129 WeakPolarHBondContact O-CD 3.28Å; M83-R129 VanDerWaalsContact O-CG 3.23Å; M83-R129 WeakPolarHBondContact O-CG 3.37Å; M83-R129 PolarHBondContact O-NH1 2.83Å; G85-R129 WeakPolarHBondContact O-CD 3.39Å; G85-R129 PolarHBondContact O-NE 3.42Å; G85-R129 PolarHBondContact O-NH1 3.43Å; D86-R129 PolarHBondContact O-NH2 2.99Å; D87-R129 VanDerWaalsContact O-CZ 3.29Å; D87-R129 PolarHBondContact O-NH1 2.93Å; D87-R129 PolarHBondContact O-NH2 3.3Å; R129-N131 WeakPolarHBondContact CB-OD1 3.07Å; R129-N131 PolarHBondContact O-N 3.22Å; R129-R132 HydrophobicContact CB-CG 3.98Å; R129-R132 VanDerWaalsContact CD-NE 3.27Å; R129-R132 HydrophobicContact CG-CG 4.43Å; R129-R132 PolarHBondContact N-O 3.23Å; R129-R132 VanDerWaalsContact O-O 3.08Å; R129-E134 WeakPolarHBondContact CG-O 3.41Å; R129-E134 PolarHBondContact N-O 3.42Å; R129-E134 IonicContact NE-OE2 3.1Å; R129-T135 PolarHBondContact NH2-O 3.47Å; R129-W136 HydrophobicContact CG-CB 4.17Å
130	P	93.4	Very high	94.6	Very high	34 Å²	34	60.8 Å²	60.8	22%	0.221	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.8	179.2	-27	35.4	0	0	0	114.9	K84 E113 V114	K84-P130 HydrophobicContact CG-CB 4.48Å; K84-P130 HydrophobicContact CG-CG 4.26Å; E113-P130 HydrophobicContact CB-CG 4.29Å; E113-P130 HydrophobicContact CG-CB 4.45Å; V114-P130 HydrophobicContact CG2-CB 3.95Å; V114-P130 HydrophobicContact CG2-CG 4.45Å
131	N	92.4	Very high	94.9	Very high	99 Å²	99	55.1 Å²	55.1	53%	0.529	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-9.9	-172.3	59	-22.2	0	0	0	114.8	K84 R129	K84-N131 PolarHBondContact O-ND2 3.22Å; K84-N131 PolarHBondContact O-OD1 2.93Å; R129-N131 WeakPolarHBondContact CB-OD1 3.07Å; R129-N131 PolarHBondContact O-N 3.22Å
132	R	91.4	Very high	95.3	Very high	45 Å²	45	51.3 Å²	51.3	17%	0.17	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	154.9	-174.7	57.7	-169.6	169	153	-10.9	112.9	K84 G85 D86 R129 E134 R173	K84-R132 PolarHBondContact O-NH2 3.48Å; G85-R132 PolarHBondContact O-NH2 2.82Å; D86-R132 IonicContact OD1-CZ 3.53Å; D86-R132 VanDerWaalsContact OD1-CZ 3.24Å; D86-R132 IonicContact OD1-NH1 3.2Å; D86-R132 PolarHBondContact OD1-NH1 2.75Å; D86-R132 IonicContact OD1-NH2 3.72Å; D86-R132 PolarHBondContact OD1-NH2 3.05Å; D86-R132 IonicContact OD2-NH2 2.67Å; R129-R132 HydrophobicContact CB-CG 3.98Å; R129-R132 VanDerWaalsContact CD-NE 3.27Å; R129-R132 HydrophobicContact CG-CG 4.43Å; R129-R132 PolarHBondContact N-O 3.23Å; R129-R132 VanDerWaalsContact O-O 3.08Å; R132-E134 WeakPolarHBondContact CD-OE1 3.47Å; R132-E134 HydrophobicContact CG-CB 4.17Å; R132-E134 HydrophobicContact CG-CG 4.22Å; R132-E134 IonicContact CZ-OE1 2.9Å; R132-E134 IonicContact CZ-OE2 2.8Å; R132-E134 IonicContact NE-OE1 3.67Å; R132-E134 IonicContact NE-OE2 3.52Å; R132-E134 IonicContact NH1-OE1 3.75Å; R132-E134 PolarHBondContact NH1-OE1 3.31Å; R132-E134 IonicContact NH1-OE2 3.74Å; R132-E134 PolarHBondContact NH1-OE2 3.36Å; R132-E134 IonicContact NH2-OE2 3.29Å; R132-E134 PolarHBondContact O-N 3.1Å; R132-R173 VanDerWaalsContact NH1-CZ 3.28Å; R132-R173 VanDerWaalsContact NH1-NH2 3.15Å
133	R	91.1	Very high	95.5	Very high	203 Å²	203	47.1 Å²	47.1	77%	0.766	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	42.8	-179.9	-61.3	-175.1	68.3	-176.9	1.3	113.4	Y128	Y128-R133 HydrophobicContact CD1-CB 4.5Å; Y128-R133 HydrophobicContact CE1-CB 4.35Å; Y128-R133 HydrophobicContact CE2-CB 4.42Å; Y128-R133 HydrophobicContact CE2-CG 4.44Å
134	E	91.9	Very high	95.8	Very high	26 Å²	26	39.6 Å²	39.6	12%	0.121	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	151.1	175.4	-65.1	175.4	-150.8	0	0	109.6	Y128 R129 R132 R173 R176	Y128-E134 CarbonylContact C-O 3.53Å; Y128-E134 VanDerWaalsContact CA-O 3.27Å; Y128-E134 WeakPolarHBondContact CA-O 3.35Å; R129-E134 WeakPolarHBondContact CG-O 3.41Å; R129-E134 PolarHBondContact N-O 3.42Å; R129-E134 IonicContact NE-OE2 3.1Å; R132-E134 WeakPolarHBondContact CD-OE1 3.47Å; R132-E134 HydrophobicContact CG-CB 4.17Å; R132-E134 HydrophobicContact CG-CG 4.22Å; R132-E134 IonicContact CZ-OE1 2.9Å; R132-E134 IonicContact CZ-OE2 2.8Å; R132-E134 IonicContact NE-OE1 3.67Å; R132-E134 IonicContact NE-OE2 3.52Å; R132-E134 IonicContact NH1-OE1 3.75Å; R132-E134 PolarHBondContact NH1-OE1 3.31Å; R132-E134 IonicContact NH1-OE2 3.74Å; R132-E134 PolarHBondContact NH1-OE2 3.36Å; R132-E134 IonicContact NH2-OE2 3.29Å; R132-E134 PolarHBondContact O-N 3.1Å; E134-R173 IonicContact OE1-CZ 3.47Å; E134-R173 VanDerWaalsContact OE1-CZ 3.3Å; E134-R173 IonicContact OE1-NH1 3.93Å; E134-R173 PolarHBondContact OE1-NH1 3.1Å; E134-R173 IonicContact OE1-NH2 2.85Å; E134-R173 PolarHBondContact OE1-NH2 3.06Å; E134-R173 IonicContact OE2-NH1 2.62Å; E134-R176 IonicContact OE2-NH2 3.72Å
135	T	94.8	Very high	95.8	Very high	28 Å²	28	38.8 Å²	38.8	17%	0.172	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	137.1	-180	-167.9	0	0	0	0	111.6	C127 R129 L137 T143 L164	C127-T135 WeakPolarHBondContact O-CA 3.42Å; C127-T135 PolarHBondContact O-OG1 2.75Å; R129-T135 PolarHBondContact NH2-O 3.47Å; T135-L137 PolarHBondContact OG1-N 3Å; T135-L137 PolarHBondContact OG1-O 3.06Å; T135-T143 HydrophobicContact CG2-CG2 3.93Å; T135-L164 HydrophobicContact CG2-CD2 3.72Å
136	W	95.9	Very high	95.8	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	20%	0.198	C	C	.	.	S	Bend	trans	-95.2	-8.4	169.2	61.7	-95.3	0	0	0	112.5	F81 M83 V88 I89 L112 C127 Y128 R129	F81-W136 HydrophobicContact CE1-CE3 4.48Å; F81-W136 HydrophobicContact CZ-CE3 4.08Å; M83-W136 HydrophobicContact CE-CD2 3.59Å; M83-W136 HydrophobicContact CE-CE3 3.76Å; M83-W136 HydrophobicContact CE-CG 4.04Å; M83-W136 HydrophobicContact CE-CH2 4.35Å; M83-W136 HydrophobicContact CE-CZ2 4.19Å; M83-W136 HydrophobicContact CE-CZ3 4.13Å; M83-W136 HydrophobicContact CG-CB 4.07Å; M83-W136 HydrophobicContact CG-CD2 4.48Å; M83-W136 HydrophobicContact CG-CG 3.94Å; M83-W136 HydrophobicContact SD-CD2 4.25Å; M83-W136 HydrophobicContact SD-CG 4.17Å; V88-W136 WeakPolarHBondContact CA-O 3.36Å; I89-W136 HydrophobicContact CD1-CZ3 4.27Å; I89-W136 PolarHBondContact N-O 3.33Å; L112-W136 HydrophobicContact CD1-CH2 4.19Å; L112-W136 HydrophobicContact CD1-CZ2 3.46Å; L112-W136 VanDerWaalsContact CD1-CZ2 3.46Å; C127-W136 HydrophobicContact CB-CZ2 4.23Å; C127-W136 PolarHBondContact O-N 3.19Å; Y128-W136 VanDerWaalsContact O-CD1 3.31Å; Y128-W136 PolarHBondContact O-NE1 3.33Å; R129-W136 HydrophobicContact CG-CB 4.17Å
137	L	97.8	Very high	95.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.4	-177.3	-178.6	64	0	0	0	110.7	I89 L106 V107 C127 T135 S142	I89-L137 HydrophobicContact CB-CD1 4Å; I89-L137 HydrophobicContact CG2-CD1 3.81Å; L106-L137 HydrophobicContact CB-CD2 3.93Å; L106-L137 HydrophobicContact CD1-CD1 4.2Å; V107-L137 HydrophobicContact CG1-CD2 3.71Å; C127-L137 HydrophobicContact CB-CB 4.36Å; T135-L137 PolarHBondContact OG1-N 3Å; T135-L137 PolarHBondContact OG1-O 3.06Å; L137-S142 WeakPolarHBondContact O-CB 3.5Å; L137-S142 PolarHBondContact O-OG 3.19Å
138	F	98.1	Very high	95.8	Very high	7 Å²	7	40 Å²	40	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	111.1	168.2	-167.2	-77.2	0	0	0	109.3	V88 I89 V90 F91 T143 C147 L156 V160 V163 L164	V88-F138 HydrophobicContact CG1-CB 4.11Å; I89-F138 PolarHBondContact O-N 3.35Å; V90-F138 HydrophobicContact CB-CB 4.49Å; V90-F138 HydrophobicContact CG1-CB 4.35Å; V90-F138 HydrophobicContact CG1-CD1 4.09Å; V90-F138 HydrophobicContact CG2-CB 4.19Å; F91-F138 PolarHBondContact N-O 3.42Å; F138-T143 HydrophobicContact CD2-CG2 3.84Å; F138-T143 HydrophobicContact CE2-CG2 4.32Å; F138-T143 HydrophobicContact CG-CG2 4.32Å; F138-C147 HydrophobicContact CZ-CB 4.32Å; F138-L156 HydrophobicContact CD1-CD2 4.34Å; F138-L156 HydrophobicContact CE1-CD2 3.79Å; F138-V160 HydrophobicContact CD1-CG2 3.95Å; F138-V160 HydrophobicContact CD2-CG1 4.12Å; F138-V160 HydrophobicContact CD2-CG2 4.33Å; F138-V160 HydrophobicContact CE1-CG2 3.77Å; F138-V160 HydrophobicContact CE2-CG1 4.47Å; F138-V160 HydrophobicContact CE2-CG2 4.15Å; F138-V160 HydrophobicContact CG-CG1 4.27Å; F138-V160 HydrophobicContact CG-CG2 4.24Å; F138-V160 HydrophobicContact CZ-CG2 3.87Å; F138-V163 HydrophobicContact CE2-CB 4.46Å; F138-V163 HydrophobicContact CE2-CG1 4.03Å; F138-L164 HydrophobicContact CD2-CD1 4.02Å; F138-L164 HydrophobicContact CD2-CD2 4.23Å; F138-L164 HydrophobicContact CD2-CG 4.18Å
139	S	98.4	Very high	96	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.014	18%	0.181	C	C	.	.	S	Bend	trans	-163.2	164.8	-176.7	77.7	0	0	0	0	111.1	F141 S142 T143 G144	S139-F141 PolarHBondContact O-N 2.03Å; S139-F141 VanDerWaalsContact O-N 3.09Å; S139-F141 PolarHBondContact OG-N 3.36Å; S139-S142 PolarHBondContact N-OG 2.92Å; S139-S142 PolarHBondContact O-N 3.32Å; S139-S142 VanDerWaalsContact O-N 3.08Å; S139-S142 PolarHBondContact O-OG 2.92Å; S139-S142 PolarHBondContact OG-N 3.24Å; S139-S142 PolarHBondContact OG-OG 3.36Å; S139-T143 PolarHBondContact N-OG1 3.45Å; S139-T143 VanDerWaalsContact N-OG1 3.11Å; S139-T143 PolarHBondContact O-N 2.89Å; S139-T143 PolarHBondContact O-OG1 3.42Å; S139-G144 PolarHBondContact O-N 3.09Å
140	R	98.1	Very high	96.1	Very high	71 Å²	71	37.6 Å²	37.6	27%	0.268	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-41.9	169.9	176.3	-170.8	173.8	172.3	-5.3	113.3	G144 W145	R140-G144 VanDerWaalsContact O-CA 3.31Å; R140-G144 WeakPolarHBondContact O-CA 3.25Å; R140-G144 PolarHBondContact O-N 3.44Å; R140-W145 HydrophobicContact CB-CD2 4.44Å; R140-W145 HydrophobicContact CB-CE3 4.46Å; R140-W145 HydrophobicContact CB-CH2 3.92Å; R140-W145 HydrophobicContact CB-CZ2 3.88Å; R140-W145 HydrophobicContact CB-CZ3 4.19Å; R140-W145 VanDerWaalsContact CD-CZ2 3.46Å; R140-W145 HydrophobicContact CG-CD2 4.38Å; R140-W145 HydrophobicContact CG-CH2 4.16Å; R140-W145 HydrophobicContact CG-CZ2 3.59Å
141	F	97.8	Very high	96.4	Very high	16 Å²	16	36.2 Å²	36.2	7%	0.07	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	1.4	-173.1	-64.3	-47.1	0	0	0	113.8	T100 R104 V107 K123 C125 S139	T100-F141 HydrophobicContact CG2-CZ 4.18Å; T100-F141 WeakPolarHBondContact O-CE2 3.1Å; R104-F141 HydrophobicContact CG-CD2 4.32Å; R104-F141 HydrophobicContact CG-CE2 3.91Å; R104-F141 HydrophobicContact CG-CZ 4.4Å; V107-F141 HydrophobicContact CG1-CB 3.97Å; V107-F141 HydrophobicContact CG2-CB 4.09Å; K123-F141 VanDerWaalsContact O-CD1 3.23Å; K123-F141 WeakPolarHBondContact O-CD1 3.06Å; C125-F141 PolarHBondContact N-O 2.04Å; S139-F141 PolarHBondContact O-N 2.03Å; S139-F141 VanDerWaalsContact O-N 3.09Å; S139-F141 PolarHBondContact OG-N 3.36Å
142	S	97.4	Very high	96.7	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.063	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-54	175.7	58.2	0	0	0	0	112.6	K124 C125 L137 S139	K124-S142 VanDerWaalsContact CD-O 3.24Å; K124-S142 WeakPolarHBondContact CD-O 3.35Å; K124-S142 WeakPolarHBondContact CG-O 3.43Å; C125-S142 WeakPolarHBondContact O-CA 3.14Å; L137-S142 WeakPolarHBondContact O-CB 3.5Å; L137-S142 PolarHBondContact O-OG 3.19Å; S139-S142 PolarHBondContact N-OG 2.92Å; S139-S142 PolarHBondContact O-N 3.32Å; S139-S142 VanDerWaalsContact O-N 3.08Å; S139-S142 PolarHBondContact O-OG 2.92Å; S139-S142 PolarHBondContact OG-N 3.24Å; S139-S142 PolarHBondContact OG-OG 3.36Å
143	T	96.8	Very high	97	Very high	25 Å²	25	31.2 Å²	31.2	15%	0.153	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-19.5	179.5	49	0	0	0	0	112.2	T135 F138 S139 S146	T135-T143 HydrophobicContact CG2-CG2 3.93Å; F138-T143 HydrophobicContact CD2-CG2 3.84Å; F138-T143 HydrophobicContact CE2-CG2 4.32Å; F138-T143 HydrophobicContact CG-CG2 4.32Å; S139-T143 PolarHBondContact N-OG1 3.45Å; S139-T143 VanDerWaalsContact N-OG1 3.11Å; S139-T143 PolarHBondContact O-N 2.89Å; S139-T143 PolarHBondContact O-OG1 3.42Å; T143-S146 PolarHBondContact O-OG 3.28Å; T143-S146 VanDerWaalsContact O-OG 3.06Å
144	G	97	Very high	97.4	Very high	16 Å²	16	21.6 Å²	21.6	17%	0.165	11%	0.113	C	C	.	.			trans	86.2	-157	-171.3	0	0	0	0	0	110.7	S139 R140 S146	S139-G144 PolarHBondContact O-N 3.09Å; R140-G144 VanDerWaalsContact O-CA 3.31Å; R140-G144 WeakPolarHBondContact O-CA 3.25Å; R140-G144 PolarHBondContact O-N 3.44Å; G144-S146 VanDerWaalsContact C-N 3.27Å; G144-S146 PolarHBondContact O-N 2.89Å
145	W	97.2	Very high	97.7	Very high	87 Å²	87	20.7 Å²	20.7	33%	0.33	11%	0.109	S	C	.	.	S	Bend	trans	-93.4	49.7	177.6	-62.9	124.4	0	0	0	111.3	H93 R140 C147 G148 L149 H150	H93-W145 HydrophobicContact CB-CH2 4.36Å; H93-W145 AromaticContact ND1-CH2 4Å; R140-W145 HydrophobicContact CB-CD2 4.44Å; R140-W145 HydrophobicContact CB-CE3 4.46Å; R140-W145 HydrophobicContact CB-CH2 3.92Å; R140-W145 HydrophobicContact CB-CZ2 3.88Å; R140-W145 HydrophobicContact CB-CZ3 4.19Å; R140-W145 VanDerWaalsContact CD-CZ2 3.46Å; R140-W145 HydrophobicContact CG-CD2 4.38Å; R140-W145 HydrophobicContact CG-CH2 4.16Å; R140-W145 HydrophobicContact CG-CZ2 3.59Å; W145-C147 PolarHBondContact O-N 2.84Å; W145-C147 VanDerWaalsContact O-N 3.12Å; W145-G148 WeakPolarHBondContact CB-O 3.37Å; W145-G148 PolarHBondContact O-N 3.39Å; W145-L149 HydrophobicContact CD2-CD1 3.95Å; W145-L149 VanDerWaalsContact CE2-CD1 3.43Å; W145-L149 HydrophobicContact CG-CD1 4.1Å; W145-L149 HydrophobicContact CZ2-CD1 3.78Å; W145-L149 VanDerWaalsContact NE1-CD1 3.29Å; W145-H150 HydrophobicContact CH2-CB 4.31Å; W145-H150 AromaticContact CH2-CD2 3.76Å; W145-H150 AromaticContact CH2-CE1 3.83Å; W145-H150 AromaticContact CH2-CG 3.67Å; W145-H150 AromaticContact CH2-ND1 3.72Å; W145-H150 AromaticContact CH2-NE2 3.86Å; W145-H150 AromaticContact CZ2-CD2 3.76Å; W145-H150 AromaticContact CZ2-NE2 3.78Å; W145-H150 VanDerWaalsContact CZ3-CA 3.43Å; W145-H150 HydrophobicContact CZ3-CB 4.46Å
146	S	96.8	Very high	97.9	Very high	62 Å²	62	19.6 Å²	19.6	43%	0.434	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.9	-173.5	-53.3	0	0	0	0	114.3	T143 G144	T143-S146 PolarHBondContact O-OG 3.28Å; T143-S146 VanDerWaalsContact O-OG 3.06Å; G144-S146 VanDerWaalsContact C-N 3.27Å; G144-S146 PolarHBondContact O-N 2.89Å
147	C	97.9	Very high	98	Very high	7 Å²	7	21.5 Å²	21.5	5%	0.047	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	18.5	176.6	-68.6	0	0	0	0	113.1	F138 W145 A151 L156 C159	F138-C147 HydrophobicContact CZ-CB 4.32Å; W145-C147 PolarHBondContact O-N 2.84Å; W145-C147 VanDerWaalsContact O-N 3.12Å; C147-A151 HydrophobicContact CB-CB 4.07Å; C147-A151 WeakPolarHBondContact O-CB 2.99Å; C147-L156 HydrophobicContact CB-CD2 4.09Å; C147-C159 WeakPolarHBondContact CA-SG 3.45Å; C147-C159 HydrophobicContact CB-CB 3.62Å; C147-C159 WeakPolarHBondContact CB-SG 3.36Å; C147-C159 WeakPolarHBondContact SG-CB 3.46Å; C147-C159 CovalentContact SG-SG 2.04Å; C147-C159 PolarHBondContact SG-SG 3.39Å
148	G	97.2	Very high	97.9	Very high	8 Å²	8	27.5 Å²	27.5	8%	0.082	15%	0.146	C	C	.	.			trans	108.1	152.6	-174.4	0	0	0	0	0	113.2	W145 H150 A151	W145-G148 WeakPolarHBondContact CB-O 3.37Å; W145-G148 PolarHBondContact O-N 3.39Å; G148-H150 PolarHBondContact O-N 3.07Å; G148-A151 PolarHBondContact O-N 2.89Å
149	L	98.3	Very high	97.9	Very high	29 Å²	29	28.8 Å²	28.8	15%	0.152	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	121.6	176.4	172.8	62.9	0	0	0	109.3	W145 A151 W204 T206 S207	W145-L149 HydrophobicContact CD2-CD1 3.95Å; W145-L149 VanDerWaalsContact CE2-CD1 3.43Å; W145-L149 HydrophobicContact CG-CD1 4.1Å; W145-L149 HydrophobicContact CZ2-CD1 3.78Å; W145-L149 VanDerWaalsContact NE1-CD1 3.29Å; L149-A151 PolarHBondContact O-N 3.43Å; L149-W204 HydrophobicContact CD2-CB 3.89Å; L149-W204 HydrophobicContact CD2-CG 4.44Å; L149-T206 VanDerWaalsContact CD2-OG1 3.28Å; L149-T206 WeakPolarHBondContact CD2-OG1 3.38Å; L149-S207 WeakPolarHBondContact O-CB 3.49Å; L149-S207 PolarHBondContact O-OG 2.93Å
150	H	98.5	Very high	97.8	Very high	14 Å²	14	28.7 Å²	28.7	7%	0.065	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	39.8	-176.8	-77.3	-85.7	0	0	0	113.4	H93 Q95 W145 G148 D152 W204 M253	H93-H150 AromaticContact CD2-CE1 3.95Å; H93-H150 AromaticContact CE1-CE1 3.77Å; H93-H150 AromaticContact CG-CE1 3.88Å; H93-H150 AromaticContact ND1-CE1 3.76Å; H93-H150 AromaticContact NE2-CE1 3.89Å; H93-H150 PolarHBondContact O-ND1 3.26Å; Q95-H150 VanDerWaalsContact NE2-CG 3.34Å; W145-H150 HydrophobicContact CH2-CB 4.31Å; W145-H150 AromaticContact CH2-CD2 3.76Å; W145-H150 AromaticContact CH2-CE1 3.83Å; W145-H150 AromaticContact CH2-CG 3.67Å; W145-H150 AromaticContact CH2-ND1 3.72Å; W145-H150 AromaticContact CH2-NE2 3.86Å; W145-H150 AromaticContact CZ2-CD2 3.76Å; W145-H150 AromaticContact CZ2-NE2 3.78Å; W145-H150 VanDerWaalsContact CZ3-CA 3.43Å; W145-H150 HydrophobicContact CZ3-CB 4.46Å; G148-H150 PolarHBondContact O-N 3.07Å; H150-D152 PolarHBondContact O-N 3.46Å; H150-W204 AromaticContact CD2-CD1 3.47Å; H150-W204 VanDerWaalsContact CD2-CD1 3.47Å; H150-W204 AromaticContact CD2-NE1 3.68Å; H150-W204 AromaticContact NE2-CD1 3.82Å; H150-W204 AromaticContact NE2-NE1 3.53Å; H150-M253 HydrophobicContact CB-CE 4.36Å; H150-M253 WeakPolarHBondContact O-CE 3.26Å
151	A	98.6	Very high	97.6	Very high	5 Å²	5	27.1 Å²	27.1	4%	0.041	15%	0.153	C	C	.	.			trans	-46.9	126.8	178.5	0	0	0	0	0	112.5	C147 G148 L149 E155 L156	C147-A151 HydrophobicContact CB-CB 4.07Å; C147-A151 WeakPolarHBondContact O-CB 2.99Å; G148-A151 PolarHBondContact O-N 2.89Å; L149-A151 PolarHBondContact O-N 3.43Å; A151-E155 VanDerWaalsContact CA-OE2 3.25Å; A151-E155 WeakPolarHBondContact CA-OE2 3.49Å; A151-E155 HydrophobicContact CB-CB 3.95Å; A151-L156 HydrophobicContact CB-CD2 3.73Å; A151-L156 HydrophobicContact CB-CG 3.79Å; A151-L156 WeakPolarHBondContact O-CD1 3.04Å
152	D	98.7	Very high	97.3	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	17%	0.165	C	C	.	.			trans	-84.7	-173.1	-178.2	69.1	31.2	0	0	0	113.4	H150 T154 E155 L156 M253	H150-D152 PolarHBondContact O-N 3.46Å; D152-T154 WeakPolarHBondContact OD1-CA 3.04Å; D152-T154 WeakPolarHBondContact OD1-CB 3.29Å; D152-T154 PolarHBondContact OD1-N 3.02Å; D152-E155 PolarHBondContact N-OE2 3.48Å; D152-E155 VanDerWaalsContact N-OE2 3.07Å; D152-E155 PolarHBondContact O-N 3.26Å; D152-E155 PolarHBondContact OD1-N 3.45Å; D152-L156 VanDerWaalsContact O-CB 3.3Å; D152-L156 WeakPolarHBondContact O-CB 3.03Å; D152-L156 VanDerWaalsContact O-CG 3.25Å; D152-L156 WeakPolarHBondContact O-CG 3.35Å; D152-L156 PolarHBondContact O-N 2.86Å; D152-M253 HydrophobicContact CB-CB 3.9Å; D152-M253 HydrophobicContact CB-CE 4.2Å; D152-M253 HydrophobicContact CB-CG 4.02Å; D152-M253 WeakPolarHBondContact CB-O 3.22Å
153	W	98.8	Very high	97.1	Very high	37 Å²	37	29.4 Å²	29.4	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-45.5	179.4	177.9	-95.9	0	0	0	112.1	L92 T157 Y180 M253 N284 M288	L92-W153 HydrophobicContact CD1-CB 3.96Å; L92-W153 HydrophobicContact CD1-CE3 4.31Å; W153-T157 HydrophobicContact CD2-CG2 3.82Å; W153-T157 HydrophobicContact CE3-CG2 4.18Å; W153-T157 HydrophobicContact CG-CG2 4.35Å; W153-T157 HydrophobicContact CH2-CG2 4.13Å; W153-T157 HydrophobicContact CZ2-CG2 3.75Å; W153-T157 HydrophobicContact CZ3-CG2 4.33Å; W153-T157 WeakPolarHBondContact O-CB 3.21Å; W153-T157 VanDerWaalsContact O-CG2 3.28Å; W153-T157 WeakPolarHBondContact O-CG2 3.44Å; W153-T157 PolarHBondContact O-N 3.49Å; W153-T157 PolarHBondContact O-OG1 3.38Å; W153-Y180 HydrophobicContact CE3-CD1 4.23Å; W153-Y180 HydrophobicContact CH2-CD2 4.45Å; W153-Y180 HydrophobicContact CH2-CG 4.31Å; W153-Y180 AromaticContact CZ3-CD1 3.84Å; W153-Y180 HydrophobicContact CZ3-CD1 3.84Å; W153-Y180 HydrophobicContact CZ3-CD2 4.26Å; W153-Y180 AromaticContact CZ3-CG 3.69Å; W153-Y180 HydrophobicContact CZ3-CG 3.69Å; W153-M253 WeakPolarHBondContact CB-O 3.49Å; W153-M253 PolarHBondContact N-O 3.37Å; W153-N284 HydrophobicContact CD2-CB 4.07Å; W153-N284 HydrophobicContact CE3-CB 4.49Å; W153-N284 HydrophobicContact CH2-CB 4.45Å; W153-N284 HydrophobicContact CZ2-CB 4.02Å; W153-N284 PolarHBondContact NE1-ND2 2.9Å; W153-M288 HydrophobicContact CE3-CE 3.53Å; W153-M288 HydrophobicContact CZ3-CE 3.63Å; W153-M288 HydrophobicContact CZ3-CG 4.15Å
154	T	98.7	Very high	96.8	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-43.9	177.8	-66.9	0	0	0	0	110.5	D152 T157 N158 C211 A255 D256 L257	D152-T154 WeakPolarHBondContact OD1-CA 3.04Å; D152-T154 WeakPolarHBondContact OD1-CB 3.29Å; D152-T154 PolarHBondContact OD1-N 3.02Å; T154-T157 PolarHBondContact O-OG1 3.29Å; T154-N158 PolarHBondContact O-N 3.15Å; T154-N158 PolarHBondContact O-ND2 2.84Å; T154-C211 HydrophobicContact CG2-CB 4.12Å; T154-A255 PolarHBondContact OG1-O 3.46Å; T154-D256 WeakPolarHBondContact OG1-CA 3.48Å; T154-L257 PolarHBondContact OG1-N 3.27Å
155	E	98.7	Very high	96	Very high	7 Å²	7	31.8 Å²	31.8	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-67.3	-49.6	178.8	-66.9	-179.7	111	0	0	112	A151 D152 N158 C159 L208 H209 M210	A151-E155 VanDerWaalsContact CA-OE2 3.25Å; A151-E155 WeakPolarHBondContact CA-OE2 3.49Å; A151-E155 HydrophobicContact CB-CB 3.95Å; D152-E155 PolarHBondContact N-OE2 3.48Å; D152-E155 VanDerWaalsContact N-OE2 3.07Å; D152-E155 PolarHBondContact O-N 3.26Å; D152-E155 PolarHBondContact OD1-N 3.45Å; E155-N158 PolarHBondContact O-N 2.84Å; E155-C159 WeakPolarHBondContact O-CB 3.23Å; E155-C159 PolarHBondContact O-N 3.17Å; E155-L208 WeakPolarHBondContact OE1-CB 3.46Å; E155-H209 WeakPolarHBondContact OE1-CA 3.4Å; E155-H209 PolarHBondContact OE1-N 3.41Å; E155-M210 HydrophobicContact CG-CB 4.05Å; E155-M210 VanDerWaalsContact CG-O 3.3Å; E155-M210 WeakPolarHBondContact CG-O 3.5Å; E155-M210 PolarHBondContact OE1-N 2.95Å
156	L	98.5	Very high	94.4	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-69.3	-37.3	-174.3	-70.1	170.6	0	0	0	113.1	V90 L92 F138 C147 A151 D152 N158 V160 Y180	V90-L156 HydrophobicContact CG1-CD1 4.3Å; V90-L156 HydrophobicContact CG1-CD2 4.43Å; L92-L156 HydrophobicContact CB-CD1 3.71Å; L92-L156 HydrophobicContact CD1-CD1 4.18Å; L92-L156 HydrophobicContact CG-CD1 3.74Å; F138-L156 HydrophobicContact CD1-CD2 4.34Å; F138-L156 HydrophobicContact CE1-CD2 3.79Å; C147-L156 HydrophobicContact CB-CD2 4.09Å; A151-L156 HydrophobicContact CB-CD2 3.73Å; A151-L156 HydrophobicContact CB-CG 3.79Å; A151-L156 WeakPolarHBondContact O-CD1 3.04Å; D152-L156 VanDerWaalsContact O-CB 3.3Å; D152-L156 WeakPolarHBondContact O-CB 3.03Å; D152-L156 VanDerWaalsContact O-CG 3.25Å; D152-L156 WeakPolarHBondContact O-CG 3.35Å; D152-L156 PolarHBondContact O-N 2.86Å; L156-N158 VanDerWaalsContact C-N 3.31Å; L156-V160 HydrophobicContact CB-CG2 4.09Å; L156-V160 HydrophobicContact CD2-CG2 3.69Å; L156-V160 VanDerWaalsContact O-CB 3.25Å; L156-V160 WeakPolarHBondContact O-CB 3.41Å; L156-V160 WeakPolarHBondContact O-CG2 3.31Å; L156-V160 PolarHBondContact O-N 3.29Å; L156-Y180 HydrophobicContact CB-CE1 3.87Å; L156-Y180 PolarHBondContact O-OH 3.19Å
157	T	97.7	Very high	92.6	Very high	42 Å²	42	46 Å²	46	26%	0.258	23%	0.226	S	C	.	.	H	α-helix	trans	-68.7	-32.1	179.2	52.9	0	0	0	0	112.1	W153 T154 Y180	W153-T157 HydrophobicContact CD2-CG2 3.82Å; W153-T157 HydrophobicContact CE3-CG2 4.18Å; W153-T157 HydrophobicContact CG-CG2 4.35Å; W153-T157 HydrophobicContact CH2-CG2 4.13Å; W153-T157 HydrophobicContact CZ2-CG2 3.75Å; W153-T157 HydrophobicContact CZ3-CG2 4.33Å; W153-T157 WeakPolarHBondContact O-CB 3.21Å; W153-T157 VanDerWaalsContact O-CG2 3.28Å; W153-T157 WeakPolarHBondContact O-CG2 3.44Å; W153-T157 PolarHBondContact O-N 3.49Å; W153-T157 PolarHBondContact O-OG1 3.38Å; T154-T157 PolarHBondContact O-OG1 3.29Å; T157-Y180 WeakPolarHBondContact CA-OH 3.49Å; T157-Y180 HydrophobicContact CG2-CE1 4.18Å
158	N	97.3	Very high	90.6	Very high	125 Å²	125	47.7 Å²	47.7	67%	0.668	24%	0.235	S	C	*	.	H	α-helix	trans	-85.6	-22.7	176.7	-72.4	-67.3	0	0	0	114	T154 E155 L156	T154-N158 PolarHBondContact O-N 3.15Å; T154-N158 PolarHBondContact O-ND2 2.84Å; E155-N158 PolarHBondContact O-N 2.84Å; L156-N158 VanDerWaalsContact C-N 3.31Å
159	C	97.2	Very high	88.6	Confident	34 Å²	34	53 Å²	53	23%	0.23	27%	0.271	C	S	.	.	H	α-helix	trans	-103.6	-42	-174	170.8	0	0	0	0	114.9	C147 E155 G162 V163	C147-C159 WeakPolarHBondContact CA-SG 3.45Å; C147-C159 HydrophobicContact CB-CB 3.62Å; C147-C159 WeakPolarHBondContact CB-SG 3.36Å; C147-C159 WeakPolarHBondContact SG-CB 3.46Å; C147-C159 CovalentContact SG-SG 2.04Å; C147-C159 PolarHBondContact SG-SG 3.39Å; E155-C159 WeakPolarHBondContact O-CB 3.23Å; E155-C159 PolarHBondContact O-N 3.17Å; C159-G162 PolarHBondContact O-N 3.11Å; C159-G162 VanDerWaalsContact O-N 3.16Å; C159-V163 PolarHBondContact O-N 2.94Å; C159-V163 WeakPolarHBondContact SG-CG2 3.47Å
160	V	96.5	Very high	86.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-45.4	-168.5	171.3	0	0	0	0	113.5	V90 F138 L156 G162 V163 L164 F178	V90-V160 HydrophobicContact CG1-CG2 4.1Å; V90-V160 HydrophobicContact CG2-CG1 3.99Å; F138-V160 HydrophobicContact CD1-CG2 3.95Å; F138-V160 HydrophobicContact CD2-CG1 4.12Å; F138-V160 HydrophobicContact CD2-CG2 4.33Å; F138-V160 HydrophobicContact CE1-CG2 3.77Å; F138-V160 HydrophobicContact CE2-CG1 4.47Å; F138-V160 HydrophobicContact CE2-CG2 4.15Å; F138-V160 HydrophobicContact CG-CG1 4.27Å; F138-V160 HydrophobicContact CG-CG2 4.24Å; F138-V160 HydrophobicContact CZ-CG2 3.87Å; L156-V160 HydrophobicContact CB-CG2 4.09Å; L156-V160 HydrophobicContact CD2-CG2 3.69Å; L156-V160 VanDerWaalsContact O-CB 3.25Å; L156-V160 WeakPolarHBondContact O-CB 3.41Å; L156-V160 WeakPolarHBondContact O-CG2 3.31Å; L156-V160 PolarHBondContact O-N 3.29Å; V160-G162 PolarHBondContact O-N 3.09Å; V160-V163 PolarHBondContact O-N 3.28Å; V160-L164 HydrophobicContact CG1-CD1 3.71Å; V160-L164 HydrophobicContact CG1-CG 4.43Å; V160-L164 PolarHBondContact O-N 3.03Å; V160-L164 VanDerWaalsContact O-N 3.08Å; V160-F178 HydrophobicContact CG1-CD1 3.89Å; V160-F178 HydrophobicContact CG1-CE1 3.82Å; V160-F178 HydrophobicContact CG1-CZ 4.5Å
161	P	93.4	Very high	84.4	Confident	38 Å²	38	60.2 Å²	60.2	25%	0.247	34%	0.337	C	S	.	.	H	α-helix	trans	-56.6	-48.5	175.8	-24.5	34.4	0	0	0	112	V163 L164 D165 F178	P161-V163 VanDerWaalsContact C-N 3.33Å; P161-V163 PolarHBondContact O-N 3.49Å; P161-L164 PolarHBondContact O-N 2.88Å; P161-D165 VanDerWaalsContact O-CB 3.27Å; P161-D165 WeakPolarHBondContact O-CB 3.15Å; P161-D165 PolarHBondContact O-N 3.43Å; P161-F178 HydrophobicContact CB-CE2 3.94Å; P161-F178 HydrophobicContact CB-CZ 4.18Å; P161-F178 HydrophobicContact CG-CD2 4.27Å; P161-F178 HydrophobicContact CG-CE2 3.74Å; P161-F178 HydrophobicContact CG-CZ 4.24Å
162	G	92.3	Very high	82.2	Confident	31 Å²	31	68 Å²	68	32%	0.32	38%	0.378	S	S	.	.	H	α-helix	trans	-61.9	-35.7	178.6	0	0	0	0	0	113.9	C159 V160 R166	C159-G162 PolarHBondContact O-N 3.11Å; C159-G162 VanDerWaalsContact O-N 3.16Å; V160-G162 PolarHBondContact O-N 3.09Å; G162-R166 VanDerWaalsContact O-CB 3.27Å; G162-R166 WeakPolarHBondContact O-CB 3.44Å; G162-R166 VanDerWaalsContact O-CD 3.24Å; G162-R166 WeakPolarHBondContact O-CD 3.34Å; G162-R166 WeakPolarHBondContact O-CG 3.35Å; G162-R166 PolarHBondContact O-N 3.06Å
163	V	92.8	Very high	80.6	Confident	42 Å²	42	73.9 Å²	73.9	26%	0.255	40%	0.399	S	S	.	.	H	α-helix	trans	-70.8	-38.5	178	170.6	0	0	0	0	112.1	F138 C159 V160 P161	F138-V163 HydrophobicContact CE2-CB 4.46Å; F138-V163 HydrophobicContact CE2-CG1 4.03Å; C159-V163 PolarHBondContact O-N 2.94Å; C159-V163 WeakPolarHBondContact SG-CG2 3.47Å; V160-V163 PolarHBondContact O-N 3.28Å; P161-V163 VanDerWaalsContact C-N 3.33Å; P161-V163 PolarHBondContact O-N 3.49Å
164	L	90.3	Very high	79.1	Confident	18 Å²	18	77 Å²	77	9%	0.094	42%	0.423	C	S	.	.	H	α-helix	trans	-88.2	-27.4	-174.7	-66.3	174.6	0	0	0	112.6	V88 T135 F138 V160 P161 R176 F178	V88-L164 HydrophobicContact CG1-CD1 3.93Å; V88-L164 HydrophobicContact CG2-CD1 4.24Å; T135-L164 HydrophobicContact CG2-CD2 3.72Å; F138-L164 HydrophobicContact CD2-CD1 4.02Å; F138-L164 HydrophobicContact CD2-CD2 4.23Å; F138-L164 HydrophobicContact CD2-CG 4.18Å; V160-L164 HydrophobicContact CG1-CD1 3.71Å; V160-L164 HydrophobicContact CG1-CG 4.43Å; V160-L164 PolarHBondContact O-N 3.03Å; V160-L164 VanDerWaalsContact O-N 3.08Å; P161-L164 PolarHBondContact O-N 2.88Å; L164-R176 PolarHBondContact O-NH1 3.23Å; L164-F178 HydrophobicContact CD1-CD1 4.46Å; L164-F178 HydrophobicContact CD1-CE1 3.66Å
165	D	81	Confident	78.1	Confident	74 Å²	74	82.5 Å²	82.5	40%	0.396	46%	0.458	S	S	.	.	H	α-helix	trans	-87.1	-27.4	-179.3	-61.6	-14.5	0	0	0	112.4	P161 R167 D168 R176	P161-D165 VanDerWaalsContact O-CB 3.27Å; P161-D165 WeakPolarHBondContact O-CB 3.15Å; P161-D165 PolarHBondContact O-N 3.43Å; D165-R167 PolarHBondContact O-N 2.87Å; D165-D168 PolarHBondContact O-N 3.18Å; D165-D168 VanDerWaalsContact O-O 3.05Å; D165-R176 IonicContact OD1-CZ 2.72Å; D165-R176 IonicContact OD1-NH1 2.75Å; D165-R176 PolarHBondContact OD1-NH1 3.44Å
166	R	64.3	Low	77.6	Confident	224 Å²	224	83.8 Å²	83.8	85%	0.845	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-14	174.4	-82.8	175	-169.3	176.4	4.9	114.5	G162	G162-R166 VanDerWaalsContact O-CB 3.27Å; G162-R166 WeakPolarHBondContact O-CB 3.44Å; G162-R166 VanDerWaalsContact O-CD 3.24Å; G162-R166 WeakPolarHBondContact O-CD 3.34Å; G162-R166 WeakPolarHBondContact O-CG 3.35Å; G162-R166 PolarHBondContact O-N 3.06Å
167	R	57.7	Low	77.4	Confident	222 Å²	222	89.1 Å²	89.1	84%	0.838	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-14	179	-73.6	-173.4	171.7	-173.2	-2.9	113.9	D165	D165-R167 PolarHBondContact O-N 2.87Å
168	D	56.6	Low	77.3	Confident	44 Å²	44	89.3 Å²	89.3	24%	0.235	48%	0.483	C	S	.	.	S	Bend	trans	-129.7	128.3	-171.6	-64.1	-35	0	0	0	110.7	D165 A170 R173 R176	D165-D168 PolarHBondContact O-N 3.18Å; D165-D168 VanDerWaalsContact O-O 3.05Å; D168-A170 PolarHBondContact O-N 2.92Å; D168-R173 VanDerWaalsContact CG-NH1 3.35Å; D168-R173 IonicContact OD1-NH1 2.75Å; D168-R173 IonicContact OD2-NH1 3.34Å; D168-R173 PolarHBondContact OD2-NH1 2.97Å; D168-R176 IonicContact OD2-NH2 3.58Å; D168-R176 PolarHBondContact OD2-NH2 2.81Å
169	S	53.8	Low	77.3	Confident	120 Å²	120	84.8 Å²	84.8	84%	0.839	46%	0.457	S	S	*	.			trans	-55.7	113.2	178.1	-54.7	0	0	0	0	111.3	A171	S169-A171 PolarHBondContact O-N 3.24Å
170	A	54.6	Low	77.4	Confident	100 Å²	100	84.3 Å²	84.3	83%	0.826	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-0.3	-163.7	0	0	0	0	0	117.2	D168 L172	D168-A170 PolarHBondContact O-N 2.92Å; A170-L172 PolarHBondContact O-N 3.23Å
171	A	54	Low	77.5	Confident	94 Å²	94	84.3 Å²	84.3	78%	0.777	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-12	-160.9	0	0	0	0	0	116.2	S169	S169-A171 PolarHBondContact O-N 3.24Å
172	L	53.4	Low	77.8	Confident	169 Å²	169	82.5 Å²	82.5	89%	0.885	44%	0.439	S	S	*	.	S	Bend	trans	-141.5	7.3	-167.1	-81	162.1	0	0	0	116.4	A170	A170-L172 PolarHBondContact O-N 3.23Å
173	R	64.2	Low	78.1	Confident	125 Å²	125	81 Å²	81	47%	0.472	42%	0.424	S	S	.	.			trans	-105.4	140.3	-175	-75.5	-176	162.3	169	-9	112.8	R132 E134 D168	R132-R173 VanDerWaalsContact NH1-CZ 3.28Å; R132-R173 VanDerWaalsContact NH1-NH2 3.15Å; E134-R173 IonicContact OE1-CZ 3.47Å; E134-R173 VanDerWaalsContact OE1-CZ 3.3Å; E134-R173 IonicContact OE1-NH1 3.93Å; E134-R173 PolarHBondContact OE1-NH1 3.1Å; E134-R173 IonicContact OE1-NH2 2.85Å; E134-R173 PolarHBondContact OE1-NH2 3.06Å; E134-R173 IonicContact OE2-NH1 2.62Å; D168-R173 VanDerWaalsContact CG-NH1 3.35Å; D168-R173 IonicContact OD1-NH1 2.75Å; D168-R173 IonicContact OD2-NH1 3.34Å; D168-R173 PolarHBondContact OD2-NH1 2.97Å
174	T	68.9	Low	78.4	Confident	102 Å²	102	79 Å²	79	63%	0.626	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-52.2	141.7	167.5	40.2	0	0	0	0	110.3	D86 R176	D86-T174 PolarHBondContact OD2-OG1 3.04Å; T174-R176 PolarHBondContact O-N 3Å; T174-R176 VanDerWaalsContact O-N 3.15Å
175	P	77.4	Confident	78.7	Confident	117 Å²	117	79.1 Å²	79.1	76%	0.76	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-57.4	123.7	-178.3	21.9	-32	0	0	0	110.4	K177	P175-K177 PolarHBondContact O-N 2.89Å
176	R	87.8	Confident	79.5	Confident	33 Å²	33	77.6 Å²	77.6	13%	0.125	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-60.1	129.2	178	172.7	168.4	-68.8	151.2	-9.7	110	D86 V88 E134 L164 D165 D168 T174 F178	D86-R176 HydrophobicContact CB-CB 4.39Å; D86-R176 VanDerWaalsContact O-CG 3.31Å; D86-R176 WeakPolarHBondContact O-CG 3.45Å; V88-R176 HydrophobicContact CG2-CG 4.16Å; E134-R176 IonicContact OE2-NH2 3.72Å; L164-R176 PolarHBondContact O-NH1 3.23Å; D165-R176 IonicContact OD1-CZ 2.72Å; D165-R176 IonicContact OD1-NH1 2.75Å; D165-R176 PolarHBondContact OD1-NH1 3.44Å; D168-R176 IonicContact OD2-NH2 3.58Å; D168-R176 PolarHBondContact OD2-NH2 2.81Å; T174-R176 PolarHBondContact O-N 3Å; T174-R176 VanDerWaalsContact O-N 3.15Å; R176-F178 HydrophobicContact CB-CE2 4.45Å; R176-F178 HydrophobicContact CB-CZ 4.15Å; R176-F178 VanDerWaalsContact CD-CE1 3.43Å; R176-F178 VanDerWaalsContact CD-CZ 3.46Å; R176-F178 HydrophobicContact CG-CD1 4.31Å; R176-F178 HydrophobicContact CG-CE1 3.61Å; R176-F178 HydrophobicContact CG-CE2 4.13Å; R176-F178 HydrophobicContact CG-CZ 3.53Å
177	K	93.9	Very high	81.2	Confident	118 Å²	118	66.9 Å²	66.9	51%	0.513	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-92.7	128.6	176.9	-62	178.1	-175.4	168.9	0	110.5	V88 P175 Y179	V88-K177 PolarHBondContact N-O 3.11Å; P175-K177 PolarHBondContact O-N 2.89Å; K177-Y179 HydrophobicContact CB-CE2 4.24Å
178	F	96.4	Very high	83.1	Confident	46 Å²	46	57.1 Å²	57.1	20%	0.202	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.4	176.8	-59.3	-70.5	0	0	0	110.7	V88 V90 V160 P161 L164 R176 Y180	V88-F178 HydrophobicContact CB-CD1 3.98Å; V88-F178 HydrophobicContact CB-CE1 4.24Å; V88-F178 HydrophobicContact CG1-CD1 4.36Å; V88-F178 HydrophobicContact CG2-CE1 4.46Å; V88-F178 WeakPolarHBondContact O-CA 3.14Å; V90-F178 HydrophobicContact CG2-CB 4.16Å; V90-F178 HydrophobicContact CG2-CD1 4.03Å; V160-F178 HydrophobicContact CG1-CD1 3.89Å; V160-F178 HydrophobicContact CG1-CE1 3.82Å; V160-F178 HydrophobicContact CG1-CZ 4.5Å; P161-F178 HydrophobicContact CB-CE2 3.94Å; P161-F178 HydrophobicContact CB-CZ 4.18Å; P161-F178 HydrophobicContact CG-CD2 4.27Å; P161-F178 HydrophobicContact CG-CE2 3.74Å; P161-F178 HydrophobicContact CG-CZ 4.24Å; L164-F178 HydrophobicContact CD1-CD1 4.46Å; L164-F178 HydrophobicContact CD1-CE1 3.66Å; R176-F178 HydrophobicContact CB-CE2 4.45Å; R176-F178 HydrophobicContact CB-CZ 4.15Å; R176-F178 VanDerWaalsContact CD-CE1 3.43Å; R176-F178 VanDerWaalsContact CD-CZ 3.46Å; R176-F178 HydrophobicContact CG-CD1 4.31Å; R176-F178 HydrophobicContact CG-CE1 3.61Å; R176-F178 HydrophobicContact CG-CE2 4.13Å; R176-F178 HydrophobicContact CG-CZ 3.53Å; F178-Y180 HydrophobicContact CB-CD2 4.19Å; F178-Y180 HydrophobicContact CB-CE2 3.62Å
179	Y	97.9	Very high	84.9	Confident	30 Å²	30	56.9 Å²	56.9	12%	0.118	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	94.1	176.7	-60.6	-64.9	0	0	0	109.9	L79 F81 D87 V88 I89 V90 K177 A289 F308	L79-Y179 HydrophobicContact CB-CE1 4.48Å; L79-Y179 HydrophobicContact CD1-CD1 3.6Å; L79-Y179 HydrophobicContact CD1-CE1 3.81Å; L79-Y179 HydrophobicContact CD1-CG 4.29Å; L79-Y179 HydrophobicContact CD2-CE1 4.24Å; L79-Y179 HydrophobicContact CG-CE1 4.41Å; F81-Y179 AromaticContact CD2-CD2 3.74Å; F81-Y179 HydrophobicContact CD2-CD2 3.74Å; F81-Y179 AromaticContact CD2-CE2 3.75Å; F81-Y179 HydrophobicContact CD2-CE2 3.75Å; F81-Y179 HydrophobicContact CE2-CD2 4.2Å; F81-Y179 HydrophobicContact CE2-CE2 4.46Å; D87-Y179 HydrophobicContact CB-CD2 4.31Å; D87-Y179 HydrophobicContact CB-CE2 3.7Å; D87-Y179 VanDerWaalsContact OD2-CE2 3.28Å; D87-Y179 WeakPolarHBondContact OD2-CE2 3.25Å; D87-Y179 PolarHBondContact OD2-OH 3.02Å; V88-Y179 PolarHBondContact O-N 3.24Å; I89-Y179 WeakPolarHBondContact CA-O 3.28Å; V90-Y179 PolarHBondContact N-O 3.3Å; K177-Y179 HydrophobicContact CB-CE2 4.24Å; Y179-A289 HydrophobicContact CD1-CB 4.06Å; Y179-A289 HydrophobicContact CG-CB 4.27Å; Y179-F308 HydrophobicContact CD2-CE1 4.35Å; Y179-F308 HydrophobicContact CG-CE1 4.08Å
180	Y	98.6	Very high	87	Confident	23 Å²	23	51.1 Å²	51.1	9%	0.09	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.5	177.5	-71.4	-97.7	0	0	0	111.1	V90 W153 L156 T157 F178 M288 A289	V90-Y180 HydrophobicContact CB-CD1 3.92Å; V90-Y180 HydrophobicContact CB-CE1 4.03Å; V90-Y180 HydrophobicContact CB-CG 4.27Å; V90-Y180 HydrophobicContact CG1-CD1 3.83Å; V90-Y180 HydrophobicContact CG1-CE1 3.66Å; V90-Y180 HydrophobicContact CG2-CE1 4.46Å; V90-Y180 CarbonylContact O-C 3.5Å; V90-Y180 WeakPolarHBondContact O-CA 3.47Å; W153-Y180 HydrophobicContact CE3-CD1 4.23Å; W153-Y180 HydrophobicContact CH2-CD2 4.45Å; W153-Y180 HydrophobicContact CH2-CG 4.31Å; W153-Y180 AromaticContact CZ3-CD1 3.84Å; W153-Y180 HydrophobicContact CZ3-CD1 3.84Å; W153-Y180 HydrophobicContact CZ3-CD2 4.26Å; W153-Y180 AromaticContact CZ3-CG 3.69Å; W153-Y180 HydrophobicContact CZ3-CG 3.69Å; L156-Y180 HydrophobicContact CB-CE1 3.87Å; L156-Y180 PolarHBondContact O-OH 3.19Å; T157-Y180 WeakPolarHBondContact CA-OH 3.49Å; T157-Y180 HydrophobicContact CG2-CE1 4.18Å; F178-Y180 HydrophobicContact CB-CD2 4.19Å; F178-Y180 HydrophobicContact CB-CE2 3.62Å; Y180-M288 WeakPolarHBondContact O-CB 3.27Å; Y180-A289 PolarHBondContact O-N 3.2Å
181	I	98.8	Very high	89.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.7	175.3	68.8	173.8	0	0	0	111.6	I89 V90 F91 L92 F102 L106 A289 F290 F304 F308	I89-I181 HydrophobicContact CG2-CD1 3.48Å; I89-I181 VanDerWaalsContact CG2-CD1 3.48Å; I89-I181 HydrophobicContact CG2-CG1 3.91Å; I89-I181 HydrophobicContact CG2-CG2 4.36Å; V90-I181 PolarHBondContact O-N 3.04Å; F91-I181 HydrophobicContact CB-CD1 4.33Å; F91-I181 HydrophobicContact CB-CG1 4.03Å; F91-I181 HydrophobicContact CD2-CD1 4.49Å; F91-I181 HydrophobicContact CD2-CG1 4.03Å; F91-I181 HydrophobicContact CG-CG1 4.42Å; L92-I181 PolarHBondContact N-O 3.49Å; F102-I181 HydrophobicContact CE1-CD1 3.83Å; F102-I181 HydrophobicContact CZ-CD1 4.13Å; L106-I181 HydrophobicContact CD1-CD1 3.98Å; L106-I181 HydrophobicContact CD2-CD1 4.38Å; I181-A289 HydrophobicContact CG2-CB 4.35Å; I181-F290 WeakPolarHBondContact CA-O 3.23Å; I181-F290 HydrophobicContact CB-CD1 4.16Å; I181-F290 WeakPolarHBondContact CB-O 3.47Å; I181-F290 HydrophobicContact CG2-CB 3.81Å; I181-F290 HydrophobicContact CG2-CD1 4.18Å; I181-F304 HydrophobicContact CD1-CE2 3.94Å; I181-F308 HydrophobicContact CG2-CE2 3.87Å; I181-F308 HydrophobicContact CG2-CZ 3.61Å
182	T	98.9	Very high	91.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	173.6	175.8	-162	0	0	0	0	112.7	L92 L184 L254 L285 M288 F290 F291 G292	L92-T182 WeakPolarHBondContact O-CB 3.46Å; L92-T182 PolarHBondContact O-OG1 2.95Å; T182-L184 HydrophobicContact CG2-CD2 4.42Å; T182-L254 HydrophobicContact CG2-CD2 4.14Å; T182-L285 HydrophobicContact CG2-CD1 3.75Å; T182-M288 HydrophobicContact CG2-CE 4.3Å; T182-M288 HydrophobicContact CG2-SD 3.63Å; T182-F290 PolarHBondContact N-O 2.83Å; T182-F291 HydrophobicContact CG2-CB 3.82Å; T182-F291 VanDerWaalsContact O-CA 3.27Å; T182-F291 WeakPolarHBondContact O-CA 3.48Å; T182-G292 PolarHBondContact O-N 2.85Å
183	L	98.7	Very high	93.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.7	165.3	-73	-169	0	0	0	110.1	T97 F102 G292 T300	T97-L183 WeakPolarHBondContact CB-O 3.48Å; T97-L183 WeakPolarHBondContact CG2-O 3.38Å; T97-L183 WeakPolarHBondContact O-CB 3.24Å; T97-L183 WeakPolarHBondContact O-CD1 3.42Å; T97-L183 PolarHBondContact OG1-O 3.1Å; F102-L183 HydrophobicContact CB-CD1 3.32Å; F102-L183 HydrophobicContact CB-CG 4.14Å; F102-L183 HydrophobicContact CD1-CD1 4.06Å; F102-L183 HydrophobicContact CD1-CD2 4.33Å; F102-L183 HydrophobicContact CD1-CG 3.9Å; F102-L183 HydrophobicContact CD2-CD1 4.35Å; F102-L183 HydrophobicContact CD2-CD2 4.4Å; F102-L183 HydrophobicContact CE1-CG 4.48Å; F102-L183 HydrophobicContact CG-CD1 3.67Å; F102-L183 HydrophobicContact CG-CD2 4.24Å; F102-L183 HydrophobicContact CG-CG 3.97Å; L183-G292 WeakPolarHBondContact CA-O 3.45Å; L183-T300 HydrophobicContact CD2-CG2 4.02Å
184	L	98.8	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	166	170	-54.1	176.4	0	0	0	111.5	I94 T182 Q250 L254 L285 F291 G292 L293 T294 Y348 A351	I94-L184 HydrophobicContact CD1-CD2 3.69Å; T182-L184 HydrophobicContact CG2-CD2 4.42Å; L184-Q250 VanDerWaalsContact CA-OE1 3.3Å; L184-Q250 HydrophobicContact CD2-CB 4.19Å; L184-Q250 HydrophobicContact CD2-CG 4.22Å; L184-L254 HydrophobicContact CD2-CD1 3.66Å; L184-L285 HydrophobicContact CD1-CD1 3.91Å; L184-L285 HydrophobicContact CD1-CD2 3.59Å; L184-L285 HydrophobicContact CD1-CG 4.41Å; L184-L285 HydrophobicContact CG-CD1 4.47Å; L184-F291 HydrophobicContact CD1-CD2 4.47Å; L184-G292 PolarHBondContact N-O 3.48Å; L184-L293 HydrophobicContact CB-CD2 3.8Å; L184-T294 PolarHBondContact O-N 3.3Å; L184-T294 PolarHBondContact O-OG1 2.74Å; L184-Y348 HydrophobicContact CB-CD2 4.29Å; L184-Y348 HydrophobicContact CB-CE2 4.42Å; L184-A351 HydrophobicContact CD1-CB 3.6Å
185	R	98.1	Very high	96.2	Very high	19 Å²	19	24.9 Å²	24.9	7%	0.072	13%	0.127	C	C	.	.			trans	-146.4	149.5	177.8	-172.1	173.9	-172.9	-173.3	-2.6	109	K96 T97 R190 Q250 T294 E295 T322 Y348	K96-R185 VanDerWaalsContact O-CD 3.29Å; K96-R185 WeakPolarHBondContact O-CD 3.38Å; K96-R185 PolarHBondContact O-NH1 3.3Å; T97-R185 HydrophobicContact CG2-CB 4.11Å; R185-R190 HydrophobicContact CB-CB 4.06Å; R185-R190 HydrophobicContact CB-CG 4.39Å; R185-R190 HydrophobicContact CG-CB 4.21Å; R185-Q250 PolarHBondContact O-NE2 2.83Å; R185-Q250 PolarHBondContact O-OE1 3.04Å; R185-T294 WeakPolarHBondContact CB-OG1 3.42Å; R185-T294 HydrophobicContact CG-CG2 4.22Å; R185-E295 WeakPolarHBondContact CG-OE1 3.38Å; R185-T322 PolarHBondContact NH2-OG1 3.09Å; R185-Y348 VanDerWaalsContact C-CD2 3.46Å; R185-Y348 VanDerWaalsContact O-CD2 3.3Å; R185-Y348 WeakPolarHBondContact O-CD2 3.43Å
186	D	97.7	Very high	97.1	Very high	42 Å²	42	22.7 Å²	22.7	23%	0.225	10%	0.104	C	C	.	.			trans	-44.2	125.2	169.6	167.7	69.7	0	0	0	110.1	V188 S189 R190 E295 Y348	D186-V188 PolarHBondContact O-N 3.34Å; D186-S189 PolarHBondContact O-N 3.35Å; D186-S189 VanDerWaalsContact OD2-CB 3.26Å; D186-S189 WeakPolarHBondContact OD2-CB 3.44Å; D186-S189 PolarHBondContact OD2-N 2.9Å; D186-S189 PolarHBondContact OD2-OG 3.22Å; D186-R190 VanDerWaalsContact O-CB 3.3Å; D186-R190 WeakPolarHBondContact O-CB 3.23Å; D186-R190 PolarHBondContact O-N 3.01Å; D186-E295 WeakPolarHBondContact CB-OE1 3.32Å; D186-E295 PolarHBondContact N-OE1 2.95Å; D186-Y348 HydrophobicContact CB-CE1 4.1Å
187	P	98.4	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.4	-42.3	-169.3	-29.9	38.3	0	0	0	114.2	R190 Y191 N341 D344 M345 Y348	P187-R190 PolarHBondContact O-N 2.86Å; P187-Y191 WeakPolarHBondContact O-CB 3.23Å; P187-Y191 PolarHBondContact O-N 3.35Å; P187-N341 HydrophobicContact CB-CB 4.14Å; P187-D344 HydrophobicContact CB-CB 3.89Å; P187-D344 VanDerWaalsContact CG-C 3.46Å; P187-D344 HydrophobicContact CG-CB 3.86Å; P187-D344 VanDerWaalsContact CG-O 3.31Å; P187-D344 WeakPolarHBondContact CG-O 3.44Å; P187-M345 HydrophobicContact CB-CG 4.37Å; P187-M345 HydrophobicContact CB-SD 3.66Å; P187-M345 HydrophobicContact CG-CG 4.33Å; P187-M345 HydrophobicContact CG-SD 3.58Å; P187-M345 VanDerWaalsContact CG-SD 3.58Å; P187-Y348 HydrophobicContact CG-CG 4.39Å
188	V	97.3	Very high	97.7	Very high	16 Å²	16	18.7 Å²	18.7	10%	0.097	9%	0.089	C	C	.	.	H	α-helix	trans	-61.6	-50.8	177.8	178.9	0	0	0	0	109.8	D186 R190 Y191 L192 I337 E338 M345	D186-V188 PolarHBondContact O-N 3.34Å; V188-R190 VanDerWaalsContact C-N 3.3Å; V188-R190 PolarHBondContact O-N 3.04Å; V188-Y191 PolarHBondContact O-N 3.45Å; V188-L192 HydrophobicContact CG1-CD1 4.02Å; V188-L192 WeakPolarHBondContact O-CG 3.41Å; V188-L192 PolarHBondContact O-N 3.35Å; V188-I337 HydrophobicContact CB-CG2 4.32Å; V188-I337 HydrophobicContact CG1-CG2 4.22Å; V188-I337 HydrophobicContact CG2-CG2 4.13Å; V188-E338 HydrophobicContact CG2-CG 3.63Å; V188-M345 HydrophobicContact CG2-SD 4.45Å
189	S	96.4	Very high	97.7	Very high	39 Å²	39	18.8 Å²	18.8	27%	0.273	9%	0.09	S	C	.	.	H	α-helix	trans	-60.6	-37.8	177.4	-62.8	0	0	0	0	113.2	D186 S193 A324	D186-S189 PolarHBondContact O-N 3.35Å; D186-S189 VanDerWaalsContact OD2-CB 3.26Å; D186-S189 WeakPolarHBondContact OD2-CB 3.44Å; D186-S189 PolarHBondContact OD2-N 2.9Å; D186-S189 PolarHBondContact OD2-OG 3.22Å; S189-S193 VanDerWaalsContact O-CB 3.24Å; S189-S193 WeakPolarHBondContact O-CB 3.27Å; S189-S193 PolarHBondContact O-N 2.76Å; S189-S193 VanDerWaalsContact O-N 3.12Å; S189-A324 VanDerWaalsContact O-CB 3.29Å; S189-A324 WeakPolarHBondContact O-CB 3.28Å
190	R	97.9	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.7	-46.6	176.7	-171.9	-155.6	63.6	66.6	6.4	110.7	K96 T97 R185 D186 P187 V188 S193 E194 A246 N341 D344	K96-R190 HydrophobicContact CB-CG 4.2Å; T97-R190 HydrophobicContact CG2-CG 4.25Å; R185-R190 HydrophobicContact CB-CB 4.06Å; R185-R190 HydrophobicContact CB-CG 4.39Å; R185-R190 HydrophobicContact CG-CB 4.21Å; D186-R190 VanDerWaalsContact O-CB 3.3Å; D186-R190 WeakPolarHBondContact O-CB 3.23Å; D186-R190 PolarHBondContact O-N 3.01Å; P187-R190 PolarHBondContact O-N 2.86Å; V188-R190 VanDerWaalsContact C-N 3.3Å; V188-R190 PolarHBondContact O-N 3.04Å; R190-S193 WeakPolarHBondContact O-CB 3.34Å; R190-S193 PolarHBondContact O-N 3.44Å; R190-E194 IonicContact CZ-OE2 3.07Å; R190-E194 IonicContact NH1-OE2 3.97Å; R190-E194 PolarHBondContact NH1-OE2 3.4Å; R190-E194 PolarHBondContact O-N 3.25Å; R190-A246 PolarHBondContact NH2-O 3.05Å; R190-N341 PolarHBondContact NH2-OD1 3.49Å; R190-D344 IonicContact CZ-OD2 2.72Å; R190-D344 IonicContact NE-OD2 3.94Å; R190-D344 PolarHBondContact NE-OD2 2.88Å; R190-D344 IonicContact NH2-OD2 3.75Å
191	Y	98.2	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.7	-50.9	-178.9	-168.9	-91.3	0	0	0	111.4	P187 V188 S193 E194 W195 F238 M239 A246 N247 I337 N341	P187-Y191 WeakPolarHBondContact O-CB 3.23Å; P187-Y191 PolarHBondContact O-N 3.35Å; V188-Y191 PolarHBondContact O-N 3.45Å; Y191-S193 VanDerWaalsContact C-N 3.27Å; Y191-S193 PolarHBondContact O-N 3.32Å; Y191-E194 WeakPolarHBondContact O-CA 3.24Å; Y191-E194 VanDerWaalsContact O-CB 3.31Å; Y191-E194 WeakPolarHBondContact O-CB 3.37Å; Y191-E194 PolarHBondContact O-N 3.44Å; Y191-W195 PolarHBondContact O-N 2.48Å; Y191-F238 HydrophobicContact CD1-CD1 4.37Å; Y191-F238 HydrophobicContact CD1-CE1 4.12Å; Y191-F238 HydrophobicContact CD2-CE1 4.39Å; Y191-F238 AromaticContact CE1-CD1 3.52Å; Y191-F238 HydrophobicContact CE1-CD1 3.52Å; Y191-F238 AromaticContact CE1-CE1 3.57Å; Y191-F238 HydrophobicContact CE1-CE1 3.57Å; Y191-F238 HydrophobicContact CE2-CD1 4.45Å; Y191-F238 AromaticContact CE2-CE1 3.89Å; Y191-F238 HydrophobicContact CE2-CE1 3.89Å; Y191-F238 HydrophobicContact CG-CE1 4.5Å; Y191-F238 AromaticContact CZ-CD1 3.57Å; Y191-F238 AromaticContact CZ-CE1 3.45Å; Y191-F238 VanDerWaalsContact CZ-CE1 3.45Å; Y191-F238 WeakPolarHBondContact OH-CD1 3.49Å; Y191-F238 PolarHBondContact OH-O 2.87Å; Y191-M239 HydrophobicContact CE1-CG 3.91Å; Y191-A246 HydrophobicContact CD2-CB 3.87Å; Y191-A246 HydrophobicContact CE2-CB 3.56Å; Y191-N247 VanDerWaalsContact CE2-OD1 3.24Å; Y191-N247 WeakPolarHBondContact CE2-OD1 3.48Å; Y191-N247 PolarHBondContact OH-OD1 3.43Å; Y191-I337 HydrophobicContact CD1-CD1 4.3Å; Y191-I337 HydrophobicContact CD1-CG1 4.08Å; Y191-I337 HydrophobicContact CD1-CG2 3.74Å; Y191-I337 HydrophobicContact CE1-CG1 4.21Å; Y191-I337 HydrophobicContact CE1-CG2 4.45Å; Y191-I337 HydrophobicContact CG-CG2 3.89Å; Y191-N341 WeakPolarHBondContact CD2-ND2 3.35Å
192	L	97.4	Very high	97.4	Very high	11 Å²	11	23.8 Å²	23.8	6%	0.058	12%	0.12	C	C	.	.	H	α-helix	trans	-59.9	-38.3	174.5	-68.9	174	0	0	0	112	V188 E194 W195 R196 L235 A324 V329 I337	V188-L192 HydrophobicContact CG1-CD1 4.02Å; V188-L192 WeakPolarHBondContact O-CG 3.41Å; V188-L192 PolarHBondContact O-N 3.35Å; L192-E194 VanDerWaalsContact C-N 3.26Å; L192-E194 PolarHBondContact O-N 3.03Å; L192-W195 HydrophobicContact CD2-CE3 4.25Å; L192-R196 WeakPolarHBondContact O-CG 3.37Å; L192-R196 PolarHBondContact O-N 3.03Å; L192-L235 HydrophobicContact CD2-CD1 4Å; L192-L235 HydrophobicContact CD2-CD2 3.92Å; L192-A324 HydrophobicContact CB-CB 4.11Å; L192-V329 HydrophobicContact CD1-CG2 4.01Å; L192-V329 HydrophobicContact CD2-CG2 4.06Å; L192-I337 HydrophobicContact CD2-CD1 3.66Å; L192-I337 HydrophobicContact CG-CD1 4.11Å
193	S	96.6	Very high	97.2	Very high	12 Å²	12	25.6 Å²	25.6	8%	0.084	13%	0.131	C	C	.	.	H	α-helix	trans	-65.8	-30.5	174.7	-176	0	0	0	0	112.7	K96 S189 R190 Y191 H197	K96-S193 VanDerWaalsContact CE-O 3.28Å; K96-S193 WeakPolarHBondContact CE-O 3.26Å; K96-S193 WeakPolarHBondContact CE-OG 3.38Å; S189-S193 VanDerWaalsContact O-CB 3.24Å; S189-S193 WeakPolarHBondContact O-CB 3.27Å; S189-S193 PolarHBondContact O-N 2.76Å; S189-S193 VanDerWaalsContact O-N 3.12Å; R190-S193 WeakPolarHBondContact O-CB 3.34Å; R190-S193 PolarHBondContact O-N 3.44Å; Y191-S193 VanDerWaalsContact C-N 3.27Å; Y191-S193 PolarHBondContact O-N 3.32Å; S193-H197 PolarHBondContact O-N 2.92Å
194	E	98.1	Very high	97.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-73.5	-52.8	176.7	-167.6	164.5	149	0	0	110.9	K96 R190 Y191 L192 R196 H197 V198 W204 F238 A246 R249	K96-E194 HydrophobicContact CG-CB 3.72Å; K96-E194 HydrophobicContact CG-CG 4.08Å; R190-E194 IonicContact CZ-OE2 3.07Å; R190-E194 IonicContact NH1-OE2 3.97Å; R190-E194 PolarHBondContact NH1-OE2 3.4Å; R190-E194 PolarHBondContact O-N 3.25Å; Y191-E194 WeakPolarHBondContact O-CA 3.24Å; Y191-E194 VanDerWaalsContact O-CB 3.31Å; Y191-E194 WeakPolarHBondContact O-CB 3.37Å; Y191-E194 PolarHBondContact O-N 3.44Å; L192-E194 VanDerWaalsContact C-N 3.26Å; L192-E194 PolarHBondContact O-N 3.03Å; E194-R196 VanDerWaalsContact C-N 3.32Å; E194-R196 PolarHBondContact O-N 3.01Å; E194-H197 CarbonylContact O-C 3.55Å; E194-H197 WeakPolarHBondContact O-CA 3.42Å; E194-H197 VanDerWaalsContact O-CB 3.31Å; E194-H197 WeakPolarHBondContact O-CB 3.16Å; E194-H197 PolarHBondContact O-N 2.89Å; E194-V198 HydrophobicContact CG-CG2 4.27Å; E194-V198 WeakPolarHBondContact O-CG2 3.16Å; E194-V198 PolarHBondContact O-N 2.94Å; E194-W204 HydrophobicContact CG-CH2 3.78Å; E194-W204 HydrophobicContact CG-CZ3 3.9Å; E194-F238 HydrophobicContact CB-CZ 4.45Å; E194-F238 HydrophobicContact CG-CZ 4.22Å; E194-A246 HydrophobicContact CG-CB 4.3Å; E194-A246 WeakPolarHBondContact OE1-CA 3.15Å; E194-A246 VanDerWaalsContact OE1-CB 3.31Å; E194-A246 WeakPolarHBondContact OE1-CB 3.46Å; E194-R249 VanDerWaalsContact CD-NE 3.28Å; E194-R249 IonicContact OE1-CZ 3.01Å; E194-R249 VanDerWaalsContact OE1-CZ 3.22Å; E194-R249 IonicContact OE1-NE 2.87Å; E194-R249 PolarHBondContact OE1-NE 2.98Å; E194-R249 IonicContact OE1-NH2 3.87Å; E194-R249 PolarHBondContact OE1-NH2 3.21Å; E194-R249 WeakPolarHBondContact OE2-CD 3.27Å; E194-R249 IonicContact OE2-CZ 2.79Å; E194-R249 IonicContact OE2-NE 2.66Å; E194-R249 PolarHBondContact OE2-NE 3.23Å; E194-R249 IonicContact OE2-NH2 3.22Å
195	W	97.8	Very high	97	Very high	14 Å²	14	33.3 Å²	33.3	5%	0.053	16%	0.164	C	C	.	.	H	α-helix	trans	-47.3	-55	173	163.7	56.3	0	0	0	111.2	Y191 L192 H197 V198 Q199 C233 T234 L235 F238 V327	Y191-W195 PolarHBondContact O-N 2.48Å; L192-W195 HydrophobicContact CD2-CE3 4.25Å; W195-H197 PolarHBondContact O-N 2.81Å; W195-V198 PolarHBondContact O-N 2.98Å; W195-Q199 WeakPolarHBondContact O-CB 3.29Å; W195-Q199 PolarHBondContact O-N 3.41Å; W195-C233 PolarHBondContact NE1-O 3.47Å; W195-T234 PolarHBondContact NE1-O 3.25Å; W195-L235 HydrophobicContact CB-CD1 4.31Å; W195-L235 HydrophobicContact CD2-CB 4.07Å; W195-L235 HydrophobicContact CD2-CD1 3.82Å; W195-L235 HydrophobicContact CD2-CG 4.48Å; W195-L235 HydrophobicContact CE3-CB 4.34Å; W195-L235 HydrophobicContact CE3-CD1 3.96Å; W195-L235 HydrophobicContact CG-CD1 3.95Å; W195-L235 HydrophobicContact CH2-CB 3.98Å; W195-L235 HydrophobicContact CZ2-CB 3.72Å; W195-L235 HydrophobicContact CZ3-CB 4.29Å; W195-L235 HydrophobicContact CZ3-CD2 4.4Å; W195-F238 HydrophobicContact CB-CD1 3.69Å; W195-F238 HydrophobicContact CB-CD2 4.4Å; W195-F238 HydrophobicContact CB-CE1 3.77Å; W195-F238 HydrophobicContact CB-CE2 4.5Å; W195-F238 HydrophobicContact CB-CG 4Å; W195-F238 HydrophobicContact CB-CZ 4.17Å; W195-F238 AromaticContact CD1-CG 3.76Å; W195-F238 HydrophobicContact CG-CB 4.36Å; W195-F238 HydrophobicContact CG-CD1 4.26Å; W195-F238 HydrophobicContact CG-CG 4.2Å; W195-V327 HydrophobicContact CH2-CG1 4.42Å; W195-V327 HydrophobicContact CZ3-CG1 3.74Å; W195-V327 HydrophobicContact CZ3-CG2 4.09Å
196	R	96.3	Very high	96.9	Very high	71 Å²	71	37.2 Å²	37.2	27%	0.268	19%	0.19	S	C	.	.	H	α-helix	trans	-58.1	-29.5	178.3	-72.5	-59.9	-163.3	177.8	-2.4	113.2	L192 E194 R200 V327	L192-R196 WeakPolarHBondContact O-CG 3.37Å; L192-R196 PolarHBondContact O-N 3.03Å; E194-R196 VanDerWaalsContact C-N 3.32Å; E194-R196 PolarHBondContact O-N 3.01Å; R196-R200 VanDerWaalsContact C-NH2 3.28Å; R196-R200 WeakPolarHBondContact O-CG 3.48Å; R196-R200 PolarHBondContact O-NE 2.79Å; R196-R200 PolarHBondContact O-NH1 2.63Å; R196-R200 PolarHBondContact O-NH2 2.85Å; R196-V327 HydrophobicContact CG-CG2 4.16Å
197	H	96.5	Very high	96.9	Very high	59 Å²	59	36 Å²	36	27%	0.273	18%	0.184	S	C	.	.	H	α-helix	trans	-77.7	-40.7	177.6	-161	-153.7	0	0	0	111.8	K96 S193 E194 W195 R200 A202 W204	K96-H197 HydrophobicContact CD-CB 4.25Å; K96-H197 PolarHBondContact NZ-ND1 3.07Å; S193-H197 PolarHBondContact O-N 2.92Å; E194-H197 CarbonylContact O-C 3.55Å; E194-H197 WeakPolarHBondContact O-CA 3.42Å; E194-H197 VanDerWaalsContact O-CB 3.31Å; E194-H197 WeakPolarHBondContact O-CB 3.16Å; E194-H197 PolarHBondContact O-N 2.89Å; W195-H197 PolarHBondContact O-N 2.81Å; H197-R200 CarbonylContact O-C 3.51Å; H197-R200 PolarHBondContact O-N 2.92Å; H197-A202 HydrophobicContact CB-CB 4.16Å; H197-A202 WeakPolarHBondContact ND1-CB 3.37Å; H197-A202 WeakPolarHBondContact O-CB 3.26Å; H197-A202 PolarHBondContact O-N 2.93Å; H197-A202 VanDerWaalsContact O-N 3.09Å; H197-W204 HydrophobicContact CB-CH2 4.48Å; H197-W204 AromaticContact CE1-CZ2 3.9Å; H197-W204 AromaticContact ND1-CH2 3.68Å; H197-W204 AromaticContact ND1-CZ2 3.26Å; H197-W204 VanDerWaalsContact ND1-CZ2 3.26Å; H197-W204 WeakPolarHBondContact ND1-CZ2 3.21Å
198	V	97.3	Very high	96.8	Very high	9 Å²	9	39.4 Å²	39.4	6%	0.055	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-45.4	175.8	173.7	0	0	0	0	110.8	E194 W195 R200 G201 A202 W204 W230 F238	E194-V198 HydrophobicContact CG-CG2 4.27Å; E194-V198 WeakPolarHBondContact O-CG2 3.16Å; E194-V198 PolarHBondContact O-N 2.94Å; W195-V198 PolarHBondContact O-N 2.98Å; V198-R200 PolarHBondContact O-N 3.32Å; V198-G201 WeakPolarHBondContact O-CA 3.5Å; V198-G201 PolarHBondContact O-N 3.4Å; V198-A202 WeakPolarHBondContact CA-O 3.36Å; V198-A202 WeakPolarHBondContact CG2-O 3.43Å; V198-W204 HydrophobicContact CG2-CH2 4.29Å; V198-W204 HydrophobicContact CG2-CZ3 3.79Å; V198-W230 HydrophobicContact CG1-CB 3.74Å; V198-W230 HydrophobicContact CG1-CD2 4.29Å; V198-W230 HydrophobicContact CG1-CE3 3.81Å; V198-W230 HydrophobicContact CG1-CG 4.31Å; V198-F238 HydrophobicContact CB-CD2 4.49Å; V198-F238 HydrophobicContact CB-CE2 3.95Å; V198-F238 HydrophobicContact CG1-CD2 4.3Å; V198-F238 HydrophobicContact CG1-CE2 4.01Å; V198-F238 HydrophobicContact CG2-CE2 3.88Å; V198-F238 HydrophobicContact CG2-CZ 4.44Å
199	Q	96.2	Very high	96.9	Very high	48 Å²	48	39.9 Å²	39.9	22%	0.224	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-25.7	172.2	-177.4	177.4	66.9	0	0	113.1	W195 G232 C233	W195-Q199 WeakPolarHBondContact O-CB 3.29Å; W195-Q199 PolarHBondContact O-N 3.41Å; Q199-G232 PolarHBondContact O-N 2.86Å; Q199-C233 PolarHBondContact NE2-O 2.92Å
200	R	95.2	Very high	97	Very high	116 Å²	116	41.9 Å²	41.9	44%	0.438	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	16	175.8	-65.6	-176.3	-64.6	-98.8	-11.9	113.9	R196 H197 V198	R196-R200 VanDerWaalsContact C-NH2 3.28Å; R196-R200 WeakPolarHBondContact O-CG 3.48Å; R196-R200 PolarHBondContact O-NE 2.79Å; R196-R200 PolarHBondContact O-NH1 2.63Å; R196-R200 PolarHBondContact O-NH2 2.85Å; H197-R200 CarbonylContact O-C 3.51Å; H197-R200 PolarHBondContact O-N 2.92Å; V198-R200 PolarHBondContact O-N 3.32Å
201	G	96.4	Very high	97	Very high	26 Å²	26	42 Å²	42	27%	0.268	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	11.2	174.9	0	0	0	0	0	115.9	V198	V198-G201 WeakPolarHBondContact O-CA 3.5Å; V198-G201 PolarHBondContact O-N 3.4Å
202	A	96.6	Very high	96.9	Very high	15 Å²	15	47.3 Å²	47.3	12%	0.124	24%	0.239	C	C	.	.			trans	-76.1	128.4	173.1	0	0	0	0	0	111.1	H197 V198 W204	H197-A202 HydrophobicContact CB-CB 4.16Å; H197-A202 WeakPolarHBondContact ND1-CB 3.37Å; H197-A202 WeakPolarHBondContact O-CB 3.26Å; H197-A202 PolarHBondContact O-N 2.93Å; H197-A202 VanDerWaalsContact O-N 3.09Å; V198-A202 WeakPolarHBondContact CA-O 3.36Å; V198-A202 WeakPolarHBondContact CG2-O 3.43Å; A202-W204 HydrophobicContact CB-CH2 4.14Å; A202-W204 HydrophobicContact CB-CZ2 4.21Å; A202-W204 HydrophobicContact CB-CZ3 4.43Å
203	T	96.4	Very high	96.9	Very high	38 Å²	38	50.1 Å²	50.1	23%	0.233	27%	0.271	C	S	.	.			trans	-122.1	-34.3	176.2	57.5	0	0	0	0	113	K205 Y225 D229	T203-K205 PolarHBondContact O-N 2.94Å; T203-K205 WeakPolarHBondContact OG1-CG 3.29Å; T203-K205 PolarHBondContact OG1-N 3.1Å; T203-Y225 HydrophobicContact CG2-CE1 4.09Å; T203-Y225 HydrophobicContact CG2-CE2 4.47Å; T203-D229 HydrophobicContact CG2-CB 3.38Å
204	W	96.9	Very high	97	Very high	36 Å²	36	54.8 Å²	54.8	14%	0.136	29%	0.286	C	S	.	.			trans	53.1	27.5	-165.6	-50.1	-83.2	0	0	0	113.5	Q95 K96 L149 H150 E194 H197 V198 A202 T206 S207	Q95-W204 HydrophobicContact CB-CH2 4.3Å; Q95-W204 HydrophobicContact CB-CZ2 3.99Å; Q95-W204 HydrophobicContact CG-CD2 3.84Å; Q95-W204 VanDerWaalsContact CG-CE2 3.45Å; Q95-W204 HydrophobicContact CG-CE3 4.3Å; Q95-W204 HydrophobicContact CG-CG 4.32Å; Q95-W204 HydrophobicContact CG-CH2 4.13Å; Q95-W204 HydrophobicContact CG-CZ2 3.59Å; Q95-W204 HydrophobicContact CG-CZ3 4.44Å; K96-W204 HydrophobicContact CD-CH2 4.1Å; K96-W204 HydrophobicContact CD-CZ2 3.98Å; L149-W204 HydrophobicContact CD2-CB 3.89Å; L149-W204 HydrophobicContact CD2-CG 4.44Å; H150-W204 AromaticContact CD2-CD1 3.47Å; H150-W204 VanDerWaalsContact CD2-CD1 3.47Å; H150-W204 AromaticContact CD2-NE1 3.68Å; H150-W204 AromaticContact NE2-CD1 3.82Å; H150-W204 AromaticContact NE2-NE1 3.53Å; E194-W204 HydrophobicContact CG-CH2 3.78Å; E194-W204 HydrophobicContact CG-CZ3 3.9Å; H197-W204 HydrophobicContact CB-CH2 4.48Å; H197-W204 AromaticContact CE1-CZ2 3.9Å; H197-W204 AromaticContact ND1-CH2 3.68Å; H197-W204 AromaticContact ND1-CZ2 3.26Å; H197-W204 VanDerWaalsContact ND1-CZ2 3.26Å; H197-W204 WeakPolarHBondContact ND1-CZ2 3.21Å; V198-W204 HydrophobicContact CG2-CH2 4.29Å; V198-W204 HydrophobicContact CG2-CZ3 3.79Å; A202-W204 HydrophobicContact CB-CH2 4.14Å; A202-W204 HydrophobicContact CB-CZ2 4.21Å; A202-W204 HydrophobicContact CB-CZ3 4.43Å; W204-T206 PolarHBondContact O-N 3.5Å; W204-S207 WeakPolarHBondContact O-CB 3.37Å; W204-S207 PolarHBondContact O-N 2.88Å; W204-S207 PolarHBondContact O-OG 2.99Å
205	K	95.3	Very high	96.9	Very high	127 Å²	127	58.1 Å²	58.1	55%	0.552	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-11.2	-175.3	67.6	-174.9	177.2	-175.9	0	116.1	T203 S207 T228	T203-K205 PolarHBondContact O-N 2.94Å; T203-K205 WeakPolarHBondContact OG1-CG 3.29Å; T203-K205 PolarHBondContact OG1-N 3.1Å; K205-S207 VanDerWaalsContact C-N 3.34Å; K205-T228 PolarHBondContact NZ-O 2.8Å
206	T	95.9	Very high	96.9	Very high	101 Å²	101	58.6 Å²	58.6	62%	0.62	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	14.7	174.6	70.2	0	0	0	0	112.6	L149 W204	L149-T206 VanDerWaalsContact CD2-OG1 3.28Å; L149-T206 WeakPolarHBondContact CD2-OG1 3.38Å; W204-T206 PolarHBondContact O-N 3.5Å
207	S	97.6	Very high	96.9	Very high	16 Å²	16	57.9 Å²	57.9	11%	0.112	32%	0.316	C	S	.	.			trans	-70.6	138.2	170	-52.5	0	0	0	0	108.4	L149 W204 K205 H209	L149-S207 WeakPolarHBondContact O-CB 3.49Å; L149-S207 PolarHBondContact O-OG 2.93Å; W204-S207 WeakPolarHBondContact O-CB 3.37Å; W204-S207 PolarHBondContact O-N 2.88Å; W204-S207 PolarHBondContact O-OG 2.99Å; K205-S207 VanDerWaalsContact C-N 3.34Å; S207-H209 WeakPolarHBondContact CB-NE2 3.36Å
208	L	97.7	Very high	96.8	Very high	73 Å²	73	59.5 Å²	59.5	38%	0.382	33%	0.331	S	S	.	.			trans	-81.2	-35.9	-174.3	-58.7	177	0	0	0	111.3	E155 M210 T215	E155-L208 WeakPolarHBondContact OE1-CB 3.46Å; L208-M210 HydrophobicContact CB-CB 4.4Å; L208-M210 HydrophobicContact CD1-CE 4.37Å; L208-M210 PolarHBondContact O-N 3.04Å; L208-T215 HydrophobicContact CB-CG2 4.4Å; L208-T215 WeakPolarHBondContact O-CB 3.32Å; L208-T215 VanDerWaalsContact O-CG2 3.26Å; L208-T215 WeakPolarHBondContact O-CG2 3.33Å
209	H	98.1	Very high	96.7	Very high	26 Å²	26	66.3 Å²	66.3	12%	0.12	36%	0.362	C	S	.	.			trans	57.8	36.9	-174.9	-63.4	-61.7	0	0	0	111.5	E155 S207 C211 P216 L221 Y263	E155-H209 WeakPolarHBondContact OE1-CA 3.4Å; E155-H209 PolarHBondContact OE1-N 3.41Å; S207-H209 WeakPolarHBondContact CB-NE2 3.36Å; H209-C211 PolarHBondContact O-N 3.41Å; H209-P216 HydrophobicContact CB-CG 3.73Å; H209-P216 WeakPolarHBondContact O-CD 3.27Å; H209-L221 HydrophobicContact CB-CD1 4.41Å; H209-Y263 HydrophobicContact CB-CE1 4.49Å; H209-Y263 HydrophobicContact CB-CE2 3.75Å; H209-Y263 AromaticContact ND1-CZ 3.89Å; H209-Y263 PolarHBondContact ND1-OH 3.23Å; H209-Y263 VanDerWaalsContact ND1-OH 3.14Å; H209-Y263 VanDerWaalsContact O-CE2 3.28Å; H209-Y263 WeakPolarHBondContact O-CE2 3.46Å
210	M	98	Very high	96.7	Very high	80 Å²	80	65.8 Å²	65.8	39%	0.394	36%	0.36	S	S	.	.			trans	-68.4	123.5	-172.9	-170.3	170.5	-71.2	0	0	111.1	E155 L208 R214	E155-M210 HydrophobicContact CG-CB 4.05Å; E155-M210 VanDerWaalsContact CG-O 3.3Å; E155-M210 WeakPolarHBondContact CG-O 3.5Å; E155-M210 PolarHBondContact OE1-N 2.95Å; L208-M210 HydrophobicContact CB-CB 4.4Å; L208-M210 HydrophobicContact CD1-CE 4.37Å; L208-M210 PolarHBondContact O-N 3.04Å; M210-R214 WeakPolarHBondContact CA-O 3.13Å
211	C	98.4	Very high	96.8	Very high	4 Å²	4	62 Å²	62	3%	0.027	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-146	136.3	177.7	-177.8	0	0	0	0	108.4	T154 H209 G213 R214 C262 Y263	T154-C211 HydrophobicContact CG2-CB 4.12Å; H209-C211 PolarHBondContact O-N 3.41Å; C211-G213 PolarHBondContact O-N 3.27Å; C211-G213 VanDerWaalsContact O-N 3.13Å; C211-R214 PolarHBondContact N-O 3.14Å; C211-R214 PolarHBondContact O-N 3.48Å; C211-R214 VanDerWaalsContact O-N 3.14Å; C211-R214 VanDerWaalsContact O-O 3.08Å; C211-C262 VanDerWaalsContact C-SG 3.57Å; C211-C262 HydrophobicContact CB-CB 3.58Å; C211-C262 WeakPolarHBondContact CB-SG 3.42Å; C211-C262 VanDerWaalsContact SG-CA 3.5Å; C211-C262 WeakPolarHBondContact SG-CB 3.42Å; C211-C262 CovalentContact SG-SG 2.03Å; C211-C262 PolarHBondContact SG-SG 3.3Å; C211-Y263 HydrophobicContact CB-CE2 4.43Å
212	D	97.4	Very high	96.7	Very high	110 Å²	110	62.7 Å²	62.7	59%	0.588	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	39.8	-174.3	-62.6	-10.8	0	0	0	113.8	R214 S258 C262	D212-R214 VanDerWaalsContact C-N 3.34Å; D212-R214 PolarHBondContact O-N 2.91Å; D212-S258 VanDerWaalsContact OD1-CB 3.23Å; D212-S258 WeakPolarHBondContact OD1-CB 3.49Å; D212-C262 VanDerWaalsContact CG-SG 3.56Å; D212-C262 PolarHBondContact OD2-SG 3.19Å
213	G	96.6	Very high	96.7	Very high	71 Å²	71	65.5 Å²	65.5	73%	0.732	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	3.7	174.7	0	0	0	0	0	116	C211	C211-G213 PolarHBondContact O-N 3.27Å; C211-G213 VanDerWaalsContact O-N 3.13Å
214	R	97.7	Very high	96.7	Very high	109 Å²	109	64.8 Å²	64.8	41%	0.411	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-134	163.2	178.1	67.6	176.3	-174.4	85.8	-3.7	113.3	M210 C211 D212 E220	M210-R214 WeakPolarHBondContact CA-O 3.13Å; C211-R214 PolarHBondContact N-O 3.14Å; C211-R214 PolarHBondContact O-N 3.48Å; C211-R214 VanDerWaalsContact O-N 3.14Å; C211-R214 VanDerWaalsContact O-O 3.08Å; D212-R214 VanDerWaalsContact C-N 3.34Å; D212-R214 PolarHBondContact O-N 2.91Å; R214-E220 IonicContact CZ-OE1 2.71Å; R214-E220 IonicContact CZ-OE2 3.55Å; R214-E220 IonicContact NH1-OE1 3.47Å; R214-E220 PolarHBondContact NH1-OE1 2.86Å; R214-E220 IonicContact NH1-OE2 3.5Å; R214-E220 PolarHBondContact NH1-OE2 3.28Å; R214-E220 IonicContact NH2-OE1 2.72Å; R214-E220 PolarHBondContact NH2-OE1 3.2Å; R214-E220 IonicContact NH2-OE2 3.59Å; R214-E220 PolarHBondContact NH2-OE2 3.11Å
215	T	97.7	Very high	96.6	Very high	72 Å²	72	65.2 Å²	65.2	44%	0.442	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-85.7	153.5	167.8	58.8	0	0	0	0	109.9	L208	L208-T215 HydrophobicContact CB-CG2 4.4Å; L208-T215 WeakPolarHBondContact O-CB 3.32Å; L208-T215 VanDerWaalsContact O-CG2 3.26Å; L208-T215 WeakPolarHBondContact O-CG2 3.33Å
216	P	97.6	Very high	96.5	Very high	24 Å²	24	67.9 Å²	67.9	16%	0.156	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-68.4	152.8	175.1	29.3	-34.8	0	0	0	111.2	H209 E220 L221 Y263	H209-P216 HydrophobicContact CB-CG 3.73Å; H209-P216 WeakPolarHBondContact O-CD 3.27Å; P216-E220 WeakPolarHBondContact CA-OE2 3.49Å; P216-E220 HydrophobicContact CB-CB 4.04Å; P216-L221 HydrophobicContact CB-CB 4.16Å; P216-L221 HydrophobicContact CG-CB 4.15Å; P216-L221 HydrophobicContact CG-CD1 3.92Å; P216-Y263 HydrophobicContact CB-CD2 4.02Å; P216-Y263 HydrophobicContact CB-CG 4.01Å; P216-Y263 HydrophobicContact CG-CD2 4.12Å; P216-Y263 HydrophobicContact CG-CG 4.32Å
217	T	95.9	Very high	96.3	Very high	56 Å²	56	66.5 Å²	66.5	34%	0.344	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-78.8	162.4	171.4	78.1	0	0	0	0	110.9	E219 E220 L221	T217-E219 WeakPolarHBondContact CB-OE2 3.34Å; T217-E219 PolarHBondContact O-N 2.8Å; T217-E219 PolarHBondContact OG1-N 2.9Å; T217-E219 PolarHBondContact OG1-OE2 3.28Å; T217-E220 PolarHBondContact N-OE2 3.03Å; T217-E220 PolarHBondContact O-N 3.19Å; T217-E220 PolarHBondContact OG1-N 3.03Å; T217-L221 PolarHBondContact O-N 2.79Å
218	P	94	Very high	96.1	Very high	92 Å²	92	70.5 Å²	70.5	60%	0.597	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.1	173.7	-25.7	36.4	0	0	0	114.1	L221 P222	P218-L221 CarbonylContact O-C 3.32Å; P218-L221 VanDerWaalsContact O-C 3.32Å; P218-P222 VanDerWaalsContact O-CA 3.25Å; P218-P222 WeakPolarHBondContact O-CA 3.46Å; P218-P222 VanDerWaalsContact O-N 3.11Å
219	E	95.1	Very high	96	Very high	152 Å²	152	69.3 Å²	69.3	71%	0.71	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-34.4	175.1	-57	72.4	-154.7	0	0	112	T217	T217-E219 WeakPolarHBondContact CB-OE2 3.34Å; T217-E219 PolarHBondContact O-N 2.8Å; T217-E219 PolarHBondContact OG1-N 2.9Å; T217-E219 PolarHBondContact OG1-OE2 3.28Å
220	E	96.4	Very high	95.9	Very high	38 Å²	38	69.8 Å²	69.8	18%	0.178	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-29.1	175.8	-67.3	175.8	137.5	0	0	112.3	R214 P216 T217	R214-E220 IonicContact CZ-OE1 2.71Å; R214-E220 IonicContact CZ-OE2 3.55Å; R214-E220 IonicContact NH1-OE1 3.47Å; R214-E220 PolarHBondContact NH1-OE1 2.86Å; R214-E220 IonicContact NH1-OE2 3.5Å; R214-E220 PolarHBondContact NH1-OE2 3.28Å; R214-E220 IonicContact NH2-OE1 2.72Å; R214-E220 PolarHBondContact NH2-OE1 3.2Å; R214-E220 IonicContact NH2-OE2 3.59Å; R214-E220 PolarHBondContact NH2-OE2 3.11Å; P216-E220 WeakPolarHBondContact CA-OE2 3.49Å; P216-E220 HydrophobicContact CB-CB 4.04Å; T217-E220 PolarHBondContact N-OE2 3.03Å; T217-E220 PolarHBondContact O-N 3.19Å; T217-E220 PolarHBondContact OG1-N 3.03Å
221	L	96.2	Very high	95.9	Very high	36 Å²	36	69.3 Å²	69.3	19%	0.188	41%	0.406	C	S	.	.	S	Bend	trans	-141.5	77.3	-179.4	-156.9	169.6	0	0	0	110.8	H209 P216 T217 P218 L245 Y263	H209-L221 HydrophobicContact CB-CD1 4.41Å; P216-L221 HydrophobicContact CB-CB 4.16Å; P216-L221 HydrophobicContact CG-CB 4.15Å; P216-L221 HydrophobicContact CG-CD1 3.92Å; T217-L221 PolarHBondContact O-N 2.79Å; P218-L221 CarbonylContact O-C 3.32Å; P218-L221 VanDerWaalsContact O-C 3.32Å; L221-L245 HydrophobicContact CD1-CD1 4.25Å; L221-L245 HydrophobicContact CD1-CD2 4.1Å; L221-L245 HydrophobicContact CD2-CD1 4Å; L221-L245 HydrophobicContact CD2-CD2 4.35Å; L221-L245 HydrophobicContact CD2-CG 4.21Å; L221-L245 HydrophobicContact CG-CD2 4.28Å; L221-Y263 HydrophobicContact CD1-CD1 3.84Å; L221-Y263 HydrophobicContact CD1-CE1 3.81Å
222	P	95.9	Very high	95.7	Very high	40 Å²	40	71.7 Å²	71.7	26%	0.26	43%	0.432	S	S	.	.			trans	-69.1	149.7	178.1	22.1	-28.5	0	0	0	112.5	P218 Y243	P218-P222 VanDerWaalsContact O-CA 3.25Å; P218-P222 WeakPolarHBondContact O-CA 3.46Å; P218-P222 VanDerWaalsContact O-N 3.11Å; P222-Y243 HydrophobicContact CB-CD1 4.4Å; P222-Y243 HydrophobicContact CB-CD2 4.17Å; P222-Y243 HydrophobicContact CB-CE1 4.4Å; P222-Y243 HydrophobicContact CB-CE2 4.13Å; P222-Y243 HydrophobicContact CB-CG 4.31Å; P222-Y243 HydrophobicContact CG-CD1 3.66Å; P222-Y243 HydrophobicContact CG-CD2 3.9Å; P222-Y243 HydrophobicContact CG-CE1 4.1Å; P222-Y243 HydrophobicContact CG-CE2 4.26Å; P222-Y243 HydrophobicContact CG-CG 3.57Å; P222-Y243 WeakPolarHBondContact O-CD2 3.4Å; P222-Y243 WeakPolarHBondContact O-CE2 3.43Å
223	P	95.7	Very high	95.7	Very high	74 Å²	74	66.6 Å²	66.6	48%	0.481	41%	0.405	S	S	.	.			trans	-84.6	140.3	178.6	33.4	-34.3	0	0	0	112.3	Y225 Y243	P223-Y225 PolarHBondContact O-N 3.31Å; P223-Y243 VanDerWaalsContact O-CE2 3.23Å; P223-Y243 WeakPolarHBondContact O-CE2 3.24Å; P223-Y243 PolarHBondContact O-OH 2.67Å
224	C	97.1	Very high	95.6	Very high	23 Å²	23	66.4 Å²	66.4	16%	0.155	39%	0.389	C	S	.	.	S	Bend	trans	-78	5.6	-178.8	-67.4	0	0	0	0	114.4	W230 C241 Y243 N244	C224-W230 HydrophobicContact CB-CD2 4.08Å; C224-W230 HydrophobicContact CB-CE3 3.68Å; C224-W230 HydrophobicContact CB-CH2 3.36Å; C224-W230 HydrophobicContact CB-CZ2 3.77Å; C224-W230 HydrophobicContact CB-CZ3 3.32Å; C224-W230 VanDerWaalsContact O-CE2 3.27Å; C224-W230 PolarHBondContact O-NE1 2.95Å; C224-C241 HydrophobicContact CB-CB 3.79Å; C224-C241 WeakPolarHBondContact CB-SG 3.3Å; C224-C241 WeakPolarHBondContact SG-CB 3.46Å; C224-C241 CovalentContact SG-SG 2.03Å; C224-C241 PolarHBondContact SG-SG 2.91Å; C224-Y243 HydrophobicContact CB-CE2 4.08Å; C224-Y243 VanDerWaalsContact SG-CD2 3.58Å; C224-Y243 VanDerWaalsContact SG-CE2 3.58Å; C224-N244 WeakPolarHBondContact SG-CA 3.19Å
225	Y	95.5	Very high	95.6	Very high	45 Å²	45	62.4 Å²	62.4	18%	0.176	38%	0.376	C	S	.	.	S	Bend	trans	-145.3	148.4	-171.9	60.1	-93.4	0	0	0	110	T203 P223 D229 W230	T203-Y225 HydrophobicContact CG2-CE1 4.09Å; T203-Y225 HydrophobicContact CG2-CE2 4.47Å; P223-Y225 PolarHBondContact O-N 3.31Å; Y225-D229 VanDerWaalsContact CD2-C 3.47Å; Y225-D229 WeakPolarHBondContact CD2-O 3.46Å; Y225-W230 HydrophobicContact CD1-CB 3.75Å; Y225-W230 HydrophobicContact CD1-CG 4.27Å; Y225-W230 HydrophobicContact CG-CB 3.85Å; Y225-W230 HydrophobicContact CG-CG 4.3Å
226	E	92.2	Very high	95.5	Very high	184 Å²	184	64.1 Å²	64.1	86%	0.86	38%	0.379	S	S	*	.	S	Bend	trans	-88.1	144.8	169.4	-63.9	-62.1	161.1	0	0	109.9
227	G	92.5	Very high	95.5	Very high	71 Å²	71	67.8 Å²	67.8	73%	0.732	39%	0.394	S	S	*	.	S	Bend	trans	79.6	-135.4	175.9	0	0	0	0	0	115
228	T	93.3	Very high	95.6	Very high	100 Å²	100	65.1 Å²	65.1	61%	0.613	38%	0.378	S	S	*	.	S	Bend	trans	-86.9	-36.1	-164.2	49.4	0	0	0	0	114.9	K205	K205-T228 PolarHBondContact NZ-O 2.8Å
229	D	95.4	Very high	95.8	Very high	48 Å²	48	61.1 Å²	61.1	26%	0.257	35%	0.351	S	S	.	.			trans	-159.7	178.3	-178.9	62.6	36.3	0	0	0	111.6	T203 Y225 S231	T203-D229 HydrophobicContact CG2-CB 3.38Å; Y225-D229 VanDerWaalsContact CD2-C 3.47Å; Y225-D229 WeakPolarHBondContact CD2-O 3.46Å; D229-S231 WeakPolarHBondContact OD1-CB 3.28Å; D229-S231 PolarHBondContact OD1-N 3.48Å; D229-S231 PolarHBondContact OD1-OG 2.86Å
230	W	96	Very high	96	Very high	36 Å²	36	58.3 Å²	58.3	14%	0.136	34%	0.341	C	S	.	.			trans	-106.1	37.1	177.5	-152.1	12.7	0	0	0	111.4	V198 C224 Y225 C233 E237 F238 C241	V198-W230 HydrophobicContact CG1-CB 3.74Å; V198-W230 HydrophobicContact CG1-CD2 4.29Å; V198-W230 HydrophobicContact CG1-CE3 3.81Å; V198-W230 HydrophobicContact CG1-CG 4.31Å; C224-W230 HydrophobicContact CB-CD2 4.08Å; C224-W230 HydrophobicContact CB-CE3 3.68Å; C224-W230 HydrophobicContact CB-CH2 3.36Å; C224-W230 HydrophobicContact CB-CZ2 3.77Å; C224-W230 HydrophobicContact CB-CZ3 3.32Å; C224-W230 VanDerWaalsContact O-CE2 3.27Å; C224-W230 PolarHBondContact O-NE1 2.95Å; Y225-W230 HydrophobicContact CD1-CB 3.75Å; Y225-W230 HydrophobicContact CD1-CG 4.27Å; Y225-W230 HydrophobicContact CG-CB 3.85Å; Y225-W230 HydrophobicContact CG-CG 4.3Å; W230-C233 HydrophobicContact CD2-CB 3.99Å; W230-C233 HydrophobicContact CG-CB 3.82Å; W230-C233 WeakPolarHBondContact O-CB 3.36Å; W230-C233 PolarHBondContact O-N 2.85Å; W230-C233 PolarHBondContact O-SG 2.71Å; W230-C233 VanDerWaalsContact O-SG 3.38Å; W230-E237 WeakPolarHBondContact CH2-O 3.41Å; W230-E237 HydrophobicContact CZ2-CB 4.42Å; W230-E237 VanDerWaalsContact CZ2-O 3.26Å; W230-E237 WeakPolarHBondContact CZ2-O 3.5Å; W230-F238 AromaticContact CE3-CD2 3.86Å; W230-F238 HydrophobicContact CE3-CD2 3.86Å; W230-F238 HydrophobicContact CE3-CE2 4.22Å; W230-F238 VanDerWaalsContact CH2-CA 3.48Å; W230-F238 HydrophobicContact CH2-CB 4.39Å; W230-F238 AromaticContact CH2-CD2 3.99Å; W230-F238 HydrophobicContact CH2-CD2 3.99Å; W230-F238 HydrophobicContact CH2-CG 4.49Å; W230-F238 AromaticContact CZ3-CD2 3.41Å; W230-F238 HydrophobicContact CZ3-CD2 3.41Å; W230-F238 VanDerWaalsContact CZ3-CD2 3.41Å; W230-F238 AromaticContact CZ3-CE2 3.87Å; W230-F238 HydrophobicContact CZ3-CE2 3.87Å; W230-F238 HydrophobicContact CZ3-CG 4.3Å; W230-C241 HydrophobicContact CH2-CB 3.61Å; W230-C241 HydrophobicContact CZ2-CB 4.21Å
231	S	96.5	Very high	96	Very high	70 Å²	70	57 Å²	57	49%	0.49	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	143.7	179.5	55.4	0	0	0	0	111.4	D229 C233	D229-S231 WeakPolarHBondContact OD1-CB 3.28Å; D229-S231 PolarHBondContact OD1-N 3.48Å; D229-S231 PolarHBondContact OD1-OG 2.86Å; S231-C233 PolarHBondContact O-N 3.33Å
232	G	95.4	Very high	96	Very high	54 Å²	54	60.5 Å²	60.5	56%	0.557	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-7.8	-177.6	0	0	0	0	0	115.8	Q199 T234	Q199-G232 PolarHBondContact O-N 2.86Å; G232-T234 PolarHBondContact O-N 2.83Å
233	C	96.4	Very high	96	Very high	4 Å²	4	63.3 Å²	63.3	3%	0.027	37%	0.367	C	S	.	.			trans	-55	134.5	-177.7	73.4	0	0	0	0	112.6	W195 Q199 W230 S231 E237	W195-C233 PolarHBondContact NE1-O 3.47Å; Q199-C233 PolarHBondContact NE2-O 2.92Å; W230-C233 HydrophobicContact CD2-CB 3.99Å; W230-C233 HydrophobicContact CG-CB 3.82Å; W230-C233 WeakPolarHBondContact O-CB 3.36Å; W230-C233 PolarHBondContact O-N 2.85Å; W230-C233 PolarHBondContact O-SG 2.71Å; W230-C233 VanDerWaalsContact O-SG 3.38Å; S231-C233 PolarHBondContact O-N 3.33Å; C233-E237 WeakPolarHBondContact CA-OE2 3.47Å
234	T	96.3	Very high	96.1	Very high	66 Å²	66	60.3 Å²	60.3	41%	0.405	35%	0.347	S	S	.	.			trans	-70.6	162.8	173.4	63.7	0	0	0	0	110.2	W195 G232 Q236 E237 F238	W195-T234 PolarHBondContact NE1-O 3.25Å; G232-T234 PolarHBondContact O-N 2.83Å; T234-Q236 PolarHBondContact O-N 2.92Å; T234-E237 WeakPolarHBondContact CB-OE2 3.31Å; T234-E237 WeakPolarHBondContact CG2-OE2 3.31Å; T234-E237 PolarHBondContact N-OE2 2.68Å; T234-E237 WeakPolarHBondContact OG1-CB 3.35Å; T234-E237 VanDerWaalsContact OG1-CD 3.29Å; T234-E237 VanDerWaalsContact OG1-CG 3.23Å; T234-E237 WeakPolarHBondContact OG1-CG 3.42Å; T234-E237 PolarHBondContact OG1-N 3.04Å; T234-E237 VanDerWaalsContact OG1-N 3.15Å; T234-E237 PolarHBondContact OG1-OE2 3.08Å; T234-F238 WeakPolarHBondContact O-CB 3.48Å; T234-F238 PolarHBondContact O-N 3.48Å; T234-F238 VanDerWaalsContact O-N 3.08Å
235	L	96.7	Very high	96.2	Very high	26 Å²	26	61 Å²	61	14%	0.136	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-36.8	175.4	179.4	56.6	0	0	0	110.8	L192 W195 F238 M239 V329 T333	L192-L235 HydrophobicContact CD2-CD1 4Å; L192-L235 HydrophobicContact CD2-CD2 3.92Å; W195-L235 HydrophobicContact CB-CD1 4.31Å; W195-L235 HydrophobicContact CD2-CB 4.07Å; W195-L235 HydrophobicContact CD2-CD1 3.82Å; W195-L235 HydrophobicContact CD2-CG 4.48Å; W195-L235 HydrophobicContact CE3-CB 4.34Å; W195-L235 HydrophobicContact CE3-CD1 3.96Å; W195-L235 HydrophobicContact CG-CD1 3.95Å; W195-L235 HydrophobicContact CH2-CB 3.98Å; W195-L235 HydrophobicContact CZ2-CB 3.72Å; W195-L235 HydrophobicContact CZ3-CB 4.29Å; W195-L235 HydrophobicContact CZ3-CD2 4.4Å; L235-F238 WeakPolarHBondContact O-CB 3.11Å; L235-F238 PolarHBondContact O-N 3.09Å; L235-M239 HydrophobicContact CD1-CG 4.15Å; L235-M239 HydrophobicContact CD1-SD 3.8Å; L235-M239 HydrophobicContact CD2-SD 4.34Å; L235-M239 HydrophobicContact CG-CG 4.49Å; L235-M239 HydrophobicContact CG-SD 3.65Å; L235-M239 WeakPolarHBondContact O-CB 3.37Å; L235-M239 VanDerWaalsContact O-CG 3.28Å; L235-M239 WeakPolarHBondContact O-CG 3.5Å; L235-M239 PolarHBondContact O-N 3.15Å; L235-V329 HydrophobicContact CD2-CG2 4.48Å; L235-T333 HydrophobicContact CD2-CG2 3.77Å; L235-T333 HydrophobicContact CG-CG2 4.5Å
236	Q	96.7	Very high	96.3	Very high	108 Å²	108	58.9 Å²	58.9	51%	0.505	34%	0.34	S	S	.	.	H	α-helix	trans	-61.4	-53.9	177.4	-171.4	60.2	50.5	0	0	111.6	T234 F238 M239 D240	T234-Q236 PolarHBondContact O-N 2.92Å; Q236-F238 PolarHBondContact O-N 3.03Å; Q236-M239 PolarHBondContact O-N 3.39Å; Q236-D240 WeakPolarHBondContact CG-OD2 3.43Å; Q236-D240 PolarHBondContact NE2-OD1 2.66Å; Q236-D240 PolarHBondContact NE2-OD2 2.82Å; Q236-D240 WeakPolarHBondContact O-CB 3.24Å; Q236-D240 VanDerWaalsContact O-CG 3.23Å; Q236-D240 PolarHBondContact O-N 2.75Å
237	E	97.4	Very high	96.6	Very high	100 Å²	100	51.2 Å²	51.2	47%	0.467	31%	0.305	S	S	.	.	H	α-helix	trans	-57.5	-37.9	175.7	-69.6	162.3	142.1	0	0	111.9	W230 C233 T234 M239 D240 C241	W230-E237 WeakPolarHBondContact CH2-O 3.41Å; W230-E237 HydrophobicContact CZ2-CB 4.42Å; W230-E237 VanDerWaalsContact CZ2-O 3.26Å; W230-E237 WeakPolarHBondContact CZ2-O 3.5Å; C233-E237 WeakPolarHBondContact CA-OE2 3.47Å; T234-E237 WeakPolarHBondContact CB-OE2 3.31Å; T234-E237 WeakPolarHBondContact CG2-OE2 3.31Å; T234-E237 PolarHBondContact N-OE2 2.68Å; T234-E237 WeakPolarHBondContact OG1-CB 3.35Å; T234-E237 VanDerWaalsContact OG1-CD 3.29Å; T234-E237 VanDerWaalsContact OG1-CG 3.23Å; T234-E237 WeakPolarHBondContact OG1-CG 3.42Å; T234-E237 PolarHBondContact OG1-N 3.04Å; T234-E237 VanDerWaalsContact OG1-N 3.15Å; T234-E237 PolarHBondContact OG1-OE2 3.08Å; E237-M239 VanDerWaalsContact C-N 3.34Å; E237-M239 PolarHBondContact O-N 3.03Å; E237-D240 PolarHBondContact O-N 2.82Å; E237-C241 PolarHBondContact O-N 2.73Å
238	F	98.1	Very high	96.9	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-40.2	177	-168.5	-100.2	0	0	0	112.6	Y191 E194 W195 V198 W230 T234 L235 Q236 N244 A246	Y191-F238 HydrophobicContact CD1-CD1 4.37Å; Y191-F238 HydrophobicContact CD1-CE1 4.12Å; Y191-F238 HydrophobicContact CD2-CE1 4.39Å; Y191-F238 AromaticContact CE1-CD1 3.52Å; Y191-F238 HydrophobicContact CE1-CD1 3.52Å; Y191-F238 AromaticContact CE1-CE1 3.57Å; Y191-F238 HydrophobicContact CE1-CE1 3.57Å; Y191-F238 HydrophobicContact CE2-CD1 4.45Å; Y191-F238 AromaticContact CE2-CE1 3.89Å; Y191-F238 HydrophobicContact CE2-CE1 3.89Å; Y191-F238 HydrophobicContact CG-CE1 4.5Å; Y191-F238 AromaticContact CZ-CD1 3.57Å; Y191-F238 AromaticContact CZ-CE1 3.45Å; Y191-F238 VanDerWaalsContact CZ-CE1 3.45Å; Y191-F238 WeakPolarHBondContact OH-CD1 3.49Å; Y191-F238 PolarHBondContact OH-O 2.87Å; E194-F238 HydrophobicContact CB-CZ 4.45Å; E194-F238 HydrophobicContact CG-CZ 4.22Å; W195-F238 HydrophobicContact CB-CD1 3.69Å; W195-F238 HydrophobicContact CB-CD2 4.4Å; W195-F238 HydrophobicContact CB-CE1 3.77Å; W195-F238 HydrophobicContact CB-CE2 4.5Å; W195-F238 HydrophobicContact CB-CG 4Å; W195-F238 HydrophobicContact CB-CZ 4.17Å; W195-F238 AromaticContact CD1-CG 3.76Å; W195-F238 HydrophobicContact CG-CB 4.36Å; W195-F238 HydrophobicContact CG-CD1 4.26Å; W195-F238 HydrophobicContact CG-CG 4.2Å; V198-F238 HydrophobicContact CB-CD2 4.49Å; V198-F238 HydrophobicContact CB-CE2 3.95Å; V198-F238 HydrophobicContact CG1-CD2 4.3Å; V198-F238 HydrophobicContact CG1-CE2 4.01Å; V198-F238 HydrophobicContact CG2-CE2 3.88Å; V198-F238 HydrophobicContact CG2-CZ 4.44Å; W230-F238 AromaticContact CE3-CD2 3.86Å; W230-F238 HydrophobicContact CE3-CD2 3.86Å; W230-F238 HydrophobicContact CE3-CE2 4.22Å; W230-F238 VanDerWaalsContact CH2-CA 3.48Å; W230-F238 HydrophobicContact CH2-CB 4.39Å; W230-F238 AromaticContact CH2-CD2 3.99Å; W230-F238 HydrophobicContact CH2-CD2 3.99Å; W230-F238 HydrophobicContact CH2-CG 4.49Å; W230-F238 AromaticContact CZ3-CD2 3.41Å; W230-F238 HydrophobicContact CZ3-CD2 3.41Å; W230-F238 VanDerWaalsContact CZ3-CD2 3.41Å; W230-F238 AromaticContact CZ3-CE2 3.87Å; W230-F238 HydrophobicContact CZ3-CE2 3.87Å; W230-F238 HydrophobicContact CZ3-CG 4.3Å; T234-F238 WeakPolarHBondContact O-CB 3.48Å; T234-F238 PolarHBondContact O-N 3.48Å; T234-F238 VanDerWaalsContact O-N 3.08Å; L235-F238 WeakPolarHBondContact O-CB 3.11Å; L235-F238 PolarHBondContact O-N 3.09Å; Q236-F238 PolarHBondContact O-N 3.03Å; F238-N244 WeakPolarHBondContact CD1-ND2 3.46Å; F238-N244 WeakPolarHBondContact CD2-ND2 3.42Å; F238-N244 WeakPolarHBondContact CE1-ND2 3.49Å; F238-N244 VanDerWaalsContact CE2-ND2 3.31Å; F238-N244 WeakPolarHBondContact CE2-ND2 3.18Å; F238-N244 VanDerWaalsContact CZ-ND2 3.32Å; F238-N244 WeakPolarHBondContact CZ-ND2 3.46Å; F238-N244 PolarHBondContact O-ND2 2.84Å; F238-A246 HydrophobicContact CE1-CB 3.63Å; F238-A246 HydrophobicContact CE2-CB 4.49Å; F238-A246 HydrophobicContact CZ-CB 3.41Å; F238-A246 VanDerWaalsContact CZ-CB 3.41Å
239	M	98.2	Very high	97.2	Very high	7 Å²	7	45 Å²	45	3%	0.034	25%	0.251	C	S	.	.	H	α-helix	trans	-77	-31.4	179	-72.4	167.2	60.9	0	0	113	Y191 L235 Q236 E237 T333 R336 I337 L340	Y191-M239 HydrophobicContact CE1-CG 3.91Å; L235-M239 HydrophobicContact CD1-CG 4.15Å; L235-M239 HydrophobicContact CD1-SD 3.8Å; L235-M239 HydrophobicContact CD2-SD 4.34Å; L235-M239 HydrophobicContact CG-CG 4.49Å; L235-M239 HydrophobicContact CG-SD 3.65Å; L235-M239 WeakPolarHBondContact O-CB 3.37Å; L235-M239 VanDerWaalsContact O-CG 3.28Å; L235-M239 WeakPolarHBondContact O-CG 3.5Å; L235-M239 PolarHBondContact O-N 3.15Å; Q236-M239 PolarHBondContact O-N 3.39Å; E237-M239 VanDerWaalsContact C-N 3.34Å; E237-M239 PolarHBondContact O-N 3.03Å; M239-T333 HydrophobicContact CE-CG2 4.11Å; M239-T333 HydrophobicContact SD-CG2 3.96Å; M239-R336 HydrophobicContact CE-CB 3.56Å; M239-R336 HydrophobicContact CE-CG 3.21Å; M239-I337 HydrophobicContact CE-CG1 3.91Å; M239-I337 HydrophobicContact CG-CG1 4.46Å; M239-I337 HydrophobicContact SD-CD1 4.26Å; M239-I337 HydrophobicContact SD-CG1 3.82Å; M239-L340 HydrophobicContact CB-CD1 3.75Å; M239-L340 HydrophobicContact CE-CD1 4.3Å; M239-L340 HydrophobicContact CG-CD1 3.86Å
240	D	97.9	Very high	97.3	Very high	93 Å²	93	42.8 Å²	42.8	50%	0.497	24%	0.239	S	C	.	.	H	α-helix	trans	-77.9	-18.1	-175.1	-71.6	-21.2	0	0	0	113.7	Q236 E237 P242	Q236-D240 WeakPolarHBondContact CG-OD2 3.43Å; Q236-D240 PolarHBondContact NE2-OD1 2.66Å; Q236-D240 PolarHBondContact NE2-OD2 2.82Å; Q236-D240 WeakPolarHBondContact O-CB 3.24Å; Q236-D240 VanDerWaalsContact O-CG 3.23Å; Q236-D240 PolarHBondContact O-N 2.75Å; E237-D240 PolarHBondContact O-N 2.82Å; D240-P242 WeakPolarHBondContact O-CD 3.41Å
241	C	97.8	Very high	97.5	Very high	10 Å²	10	41.1 Å²	41.1	7%	0.068	23%	0.233	C	C	.	.			trans	-72.4	112.6	176.1	-179.1	0	0	0	0	111.5	C224 W230 E237 Y243 N244	C224-C241 HydrophobicContact CB-CB 3.79Å; C224-C241 WeakPolarHBondContact CB-SG 3.3Å; C224-C241 WeakPolarHBondContact SG-CB 3.46Å; C224-C241 CovalentContact SG-SG 2.03Å; C224-C241 PolarHBondContact SG-SG 2.91Å; W230-C241 HydrophobicContact CH2-CB 3.61Å; W230-C241 HydrophobicContact CZ2-CB 4.21Å; E237-C241 PolarHBondContact O-N 2.73Å; C241-Y243 VanDerWaalsContact C-N 3.27Å; C241-Y243 PolarHBondContact O-N 2.84Å; C241-Y243 WeakPolarHBondContact SG-CD2 3.22Å; C241-Y243 WeakPolarHBondContact SG-CE2 3.3Å; C241-Y243 VanDerWaalsContact SG-CZ 3.57Å; C241-N244 HydrophobicContact CB-CB 4.12Å; C241-N244 WeakPolarHBondContact O-CB 3.4Å; C241-N244 PolarHBondContact O-N 3.38Å
242	P	96	Very high	97.6	Very high	110 Å²	110	39.1 Å²	39.1	71%	0.714	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-24.9	-172.4	25.3	-31.9	0	0	0	113.4	D240	D240-P242 WeakPolarHBondContact O-CD 3.41Å
243	Y	95.1	Very high	97.8	Very high	99 Å²	99	36.8 Å²	36.8	39%	0.388	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	19.2	-179.8	46.9	-100.5	0	0	0	112.5	P222 P223 C224 C241 L245	P222-Y243 HydrophobicContact CB-CD1 4.4Å; P222-Y243 HydrophobicContact CB-CD2 4.17Å; P222-Y243 HydrophobicContact CB-CE1 4.4Å; P222-Y243 HydrophobicContact CB-CE2 4.13Å; P222-Y243 HydrophobicContact CB-CG 4.31Å; P222-Y243 HydrophobicContact CG-CD1 3.66Å; P222-Y243 HydrophobicContact CG-CD2 3.9Å; P222-Y243 HydrophobicContact CG-CE1 4.1Å; P222-Y243 HydrophobicContact CG-CE2 4.26Å; P222-Y243 HydrophobicContact CG-CG 3.57Å; P222-Y243 WeakPolarHBondContact O-CD2 3.4Å; P222-Y243 WeakPolarHBondContact O-CE2 3.43Å; P223-Y243 VanDerWaalsContact O-CE2 3.23Å; P223-Y243 WeakPolarHBondContact O-CE2 3.24Å; P223-Y243 PolarHBondContact O-OH 2.67Å; C224-Y243 HydrophobicContact CB-CE2 4.08Å; C224-Y243 VanDerWaalsContact SG-CD2 3.58Å; C224-Y243 VanDerWaalsContact SG-CE2 3.58Å; C241-Y243 VanDerWaalsContact C-N 3.27Å; C241-Y243 PolarHBondContact O-N 2.84Å; C241-Y243 WeakPolarHBondContact SG-CD2 3.22Å; C241-Y243 WeakPolarHBondContact SG-CE2 3.3Å; C241-Y243 VanDerWaalsContact SG-CZ 3.57Å; Y243-L245 PolarHBondContact O-N 3.09Å; Y243-L245 VanDerWaalsContact O-N 3.11Å
244	N	98	Very high	97.9	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.064	19%	0.188	C	C	.	.			trans	-62.2	115	175	-171.5	-11.9	0	0	0	111	C224 F238 C241 A246 N247	C224-N244 WeakPolarHBondContact SG-CA 3.19Å; F238-N244 WeakPolarHBondContact CD1-ND2 3.46Å; F238-N244 WeakPolarHBondContact CD2-ND2 3.42Å; F238-N244 WeakPolarHBondContact CE1-ND2 3.49Å; F238-N244 VanDerWaalsContact CE2-ND2 3.31Å; F238-N244 WeakPolarHBondContact CE2-ND2 3.18Å; F238-N244 VanDerWaalsContact CZ-ND2 3.32Å; F238-N244 WeakPolarHBondContact CZ-ND2 3.46Å; F238-N244 PolarHBondContact O-ND2 2.84Å; C241-N244 HydrophobicContact CB-CB 4.12Å; C241-N244 WeakPolarHBondContact O-CB 3.4Å; C241-N244 PolarHBondContact O-N 3.38Å; N244-A246 PolarHBondContact O-N 3.41Å; N244-A246 WeakPolarHBondContact OD1-CB 3.38Å; N244-A246 PolarHBondContact OD1-N 2.81Å; N244-N247 WeakPolarHBondContact O-CB 3.42Å; N244-N247 PolarHBondContact O-N 2.79Å
245	L	98.4	Very high	98	Very high	37 Å²	37	33.4 Å²	33.4	19%	0.194	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-9.6	177.1	-70.6	179.5	0	0	0	113.9	L221 Y243 N247 R249 R252	L221-L245 HydrophobicContact CD1-CD1 4.25Å; L221-L245 HydrophobicContact CD1-CD2 4.1Å; L221-L245 HydrophobicContact CD2-CD1 4Å; L221-L245 HydrophobicContact CD2-CD2 4.35Å; L221-L245 HydrophobicContact CD2-CG 4.21Å; L221-L245 HydrophobicContact CG-CD2 4.28Å; Y243-L245 PolarHBondContact O-N 3.09Å; Y243-L245 VanDerWaalsContact O-N 3.11Å; L245-N247 VanDerWaalsContact C-N 3.29Å; L245-R249 VanDerWaalsContact O-CZ 3.27Å; L245-R249 PolarHBondContact O-NE 3.49Å; L245-R249 PolarHBondContact O-NH2 2.97Å; L245-R252 VanDerWaalsContact O-CZ 3.23Å; L245-R252 PolarHBondContact O-NH1 2.94Å; L245-R252 PolarHBondContact O-NH2 3.26Å
246	A	98.6	Very high	98.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-31.2	168.3	0	0	0	0	0	112.2	R190 Y191 E194 F238 N244 N248 R249 N341	R190-A246 PolarHBondContact NH2-O 3.05Å; Y191-A246 HydrophobicContact CD2-CB 3.87Å; Y191-A246 HydrophobicContact CE2-CB 3.56Å; E194-A246 HydrophobicContact CG-CB 4.3Å; E194-A246 WeakPolarHBondContact OE1-CA 3.15Å; E194-A246 VanDerWaalsContact OE1-CB 3.31Å; E194-A246 WeakPolarHBondContact OE1-CB 3.46Å; F238-A246 HydrophobicContact CE1-CB 3.63Å; F238-A246 HydrophobicContact CE2-CB 4.49Å; F238-A246 HydrophobicContact CZ-CB 3.41Å; F238-A246 VanDerWaalsContact CZ-CB 3.41Å; N244-A246 PolarHBondContact O-N 3.41Å; N244-A246 WeakPolarHBondContact OD1-CB 3.38Å; N244-A246 PolarHBondContact OD1-N 2.81Å; A246-N248 PolarHBondContact O-N 3.44Å; A246-R249 PolarHBondContact O-N 3.42Å; A246-N341 PolarHBondContact O-OD1 3.03Å
247	N	98.6	Very high	98.2	Very high	23 Å²	23	29.2 Å²	29.2	12%	0.123	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	128.1	179.1	-60.2	-10.9	0	0	0	109.6	Y191 N244 L245 R249 R252	Y191-N247 VanDerWaalsContact CE2-OD1 3.24Å; Y191-N247 WeakPolarHBondContact CE2-OD1 3.48Å; Y191-N247 PolarHBondContact OH-OD1 3.43Å; N244-N247 WeakPolarHBondContact O-CB 3.42Å; N244-N247 PolarHBondContact O-N 2.79Å; L245-N247 VanDerWaalsContact C-N 3.29Å; N247-R249 PolarHBondContact O-N 2.82Å; N247-R252 PolarHBondContact O-NH1 3.47Å
248	N	98.8	Very high	98.2	Very high	35 Å²	35	26.3 Å²	26.3	19%	0.187	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	36.5	179	-65.1	-54.1	0	0	0	114.1	A246 Q250 V251 R252 L340 N341 D342 L343 D344	A246-N248 PolarHBondContact O-N 3.44Å; N248-Q250 VanDerWaalsContact C-N 3.35Å; N248-Q250 PolarHBondContact O-N 2.99Å; N248-V251 PolarHBondContact O-N 3.04Å; N248-R252 WeakPolarHBondContact O-CB 3.31Å; N248-R252 PolarHBondContact O-N 3.32Å; N248-L340 PolarHBondContact ND2-O 3.31Å; N248-N341 PolarHBondContact N-OD1 2.94Å; N248-N341 VanDerWaalsContact OD1-CA 3.24Å; N248-N341 WeakPolarHBondContact OD1-CA 3.48Å; N248-N341 PolarHBondContact OD1-O 2.86Å; N248-D342 PolarHBondContact OD1-N 3.06Å; N248-L343 HydrophobicContact CB-CB 4.29Å; N248-L343 HydrophobicContact CB-CD1 4.47Å; N248-L343 WeakPolarHBondContact OD1-CA 3.24Å; N248-L343 WeakPolarHBondContact OD1-CB 3.36Å; N248-L343 PolarHBondContact OD1-N 2.93Å; N248-D344 VanDerWaalsContact CA-OD1 3.3Å; N248-D344 WeakPolarHBondContact CA-OD1 3.33Å; N248-D344 PolarHBondContact OD1-N 3.23Å
249	R	98.9	Very high	98.2	Very high	7 Å²	7	30.4 Å²	30.4	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-42.1	-174.7	178	177.2	-69.4	-73.2	-3.4	112.1	I94 E194 L245 A246 N247 R252 M253	I94-R249 HydrophobicContact CG2-CG 3.98Å; E194-R249 VanDerWaalsContact CD-NE 3.28Å; E194-R249 IonicContact OE1-CZ 3.01Å; E194-R249 VanDerWaalsContact OE1-CZ 3.22Å; E194-R249 IonicContact OE1-NE 2.87Å; E194-R249 PolarHBondContact OE1-NE 2.98Å; E194-R249 IonicContact OE1-NH2 3.87Å; E194-R249 PolarHBondContact OE1-NH2 3.21Å; E194-R249 WeakPolarHBondContact OE2-CD 3.27Å; E194-R249 IonicContact OE2-CZ 2.79Å; E194-R249 IonicContact OE2-NE 2.66Å; E194-R249 PolarHBondContact OE2-NE 3.23Å; E194-R249 IonicContact OE2-NH2 3.22Å; L245-R249 VanDerWaalsContact O-CZ 3.27Å; L245-R249 PolarHBondContact O-NE 3.49Å; L245-R249 PolarHBondContact O-NH2 2.97Å; A246-R249 PolarHBondContact O-N 3.42Å; N247-R249 PolarHBondContact O-N 2.82Å; R249-R252 VanDerWaalsContact NH1-NH2 3.16Å; R249-M253 HydrophobicContact CG-CG 4.1Å; R249-M253 HydrophobicContact CG-SD 3.57Å; R249-M253 VanDerWaalsContact CG-SD 3.57Å; R249-M253 VanDerWaalsContact O-CB 3.27Å; R249-M253 WeakPolarHBondContact O-CB 3.35Å; R249-M253 VanDerWaalsContact O-CG 3.25Å; R249-M253 WeakPolarHBondContact O-CG 3.31Å; R249-M253 PolarHBondContact O-N 2.94Å
250	Q	98.9	Very high	98.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-68	-43.9	-175.8	-62.7	176.5	111.4	0	0	110.9	I94 L184 R185 N248 M253 L254 D344 L347	I94-Q250 HydrophobicContact CD1-CB 4.34Å; I94-Q250 HydrophobicContact CD1-CG 4.31Å; I94-Q250 HydrophobicContact CG2-CG 4.1Å; L184-Q250 VanDerWaalsContact CA-OE1 3.3Å; L184-Q250 HydrophobicContact CD2-CB 4.19Å; L184-Q250 HydrophobicContact CD2-CG 4.22Å; R185-Q250 PolarHBondContact O-NE2 2.83Å; R185-Q250 PolarHBondContact O-OE1 3.04Å; N248-Q250 VanDerWaalsContact C-N 3.35Å; N248-Q250 PolarHBondContact O-N 2.99Å; Q250-M253 PolarHBondContact O-N 2.92Å; Q250-L254 VanDerWaalsContact O-CB 3.31Å; Q250-L254 WeakPolarHBondContact O-CB 3.4Å; Q250-L254 WeakPolarHBondContact O-CD1 3.42Å; Q250-L254 VanDerWaalsContact O-CG 3.27Å; Q250-L254 WeakPolarHBondContact O-CG 3.28Å; Q250-L254 PolarHBondContact O-N 2.92Å; Q250-L254 VanDerWaalsContact O-N 3.08Å; Q250-D344 WeakPolarHBondContact CA-OD1 3.25Å; Q250-D344 WeakPolarHBondContact CB-OD1 3.41Å; Q250-D344 WeakPolarHBondContact CB-OD2 3.41Å; Q250-D344 WeakPolarHBondContact CG-OD2 3.28Å; Q250-D344 PolarHBondContact N-OD1 3.43Å; Q250-D344 PolarHBondContact N-OD2 3.43Å; Q250-D344 VanDerWaalsContact N-OD2 3.09Å; Q250-D344 PolarHBondContact NE2-OD2 2.66Å; Q250-L347 HydrophobicContact CB-CD2 4Å
251	V	98.9	Very high	98.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-52.5	173.7	168.3	0	0	0	0	110.6	N248 M253 L254 A255 L277 L278 A281 L343 D344 L347	N248-V251 PolarHBondContact O-N 3.04Å; V251-M253 VanDerWaalsContact C-N 3.29Å; V251-M253 PolarHBondContact O-N 3.32Å; V251-L254 PolarHBondContact O-N 2.81Å; V251-L254 VanDerWaalsContact O-N 3.16Å; V251-A255 VanDerWaalsContact O-CB 3.27Å; V251-A255 WeakPolarHBondContact O-CB 3.33Å; V251-A255 PolarHBondContact O-N 3.47Å; V251-L277 HydrophobicContact CG1-CB 3.84Å; V251-L278 HydrophobicContact CG2-CD1 4.09Å; V251-A281 HydrophobicContact CB-CB 4.42Å; V251-A281 HydrophobicContact CG1-CB 4.17Å; V251-A281 HydrophobicContact CG2-CB 4.42Å; V251-L343 HydrophobicContact CB-CB 4.18Å; V251-L343 HydrophobicContact CG1-CB 4.17Å; V251-L343 HydrophobicContact CG1-CD1 4.34Å; V251-L343 VanDerWaalsContact CG2-C 3.49Å; V251-L343 HydrophobicContact CG2-CB 3.8Å; V251-L343 VanDerWaalsContact CG2-O 3.28Å; V251-L343 WeakPolarHBondContact CG2-O 3.34Å; V251-D344 PolarHBondContact N-OD1 3.29Å; V251-L347 HydrophobicContact CB-CD2 4.43Å; V251-L347 HydrophobicContact CG2-CB 3.6Å; V251-L347 HydrophobicContact CG2-CD2 3.59Å; V251-L347 HydrophobicContact CG2-CG 4.15Å
252	R	98.8	Very high	98.2	Very high	27 Å²	27	26.1 Å²	26.1	10%	0.102	14%	0.142	C	C	.	.	H	α-helix	trans	-56.7	-44.1	-179.9	-173.3	-174.1	64.8	-106.5	-0.9	111.7	L245 N247 N248 R249 L254 L257	L245-R252 VanDerWaalsContact O-CZ 3.23Å; L245-R252 PolarHBondContact O-NH1 2.94Å; L245-R252 PolarHBondContact O-NH2 3.26Å; N247-R252 PolarHBondContact O-NH1 3.47Å; N248-R252 WeakPolarHBondContact O-CB 3.31Å; N248-R252 PolarHBondContact O-N 3.32Å; R249-R252 VanDerWaalsContact NH1-NH2 3.16Å; R252-L254 VanDerWaalsContact C-N 3.31Å; R252-L254 PolarHBondContact O-N 2.99Å; R252-L257 HydrophobicContact CG-CD1 4.26Å; R252-L257 HydrophobicContact CG-CD2 3.92Å
253	M	98.9	Very high	98.2	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.025	11%	0.111	C	C	.	.	H	α-helix	trans	-78.7	-11.9	-176.3	-69	-174.8	68.5	0	0	114.6	I94 Q95 H150 D152 W153 R249 Q250 V251	I94-M253 HydrophobicContact CB-SD 4.35Å; I94-M253 HydrophobicContact CG1-CB 4.16Å; I94-M253 HydrophobicContact CG1-CE 4.31Å; I94-M253 HydrophobicContact CG1-SD 4.32Å; I94-M253 HydrophobicContact CG2-SD 3.88Å; Q95-M253 PolarHBondContact OE1-SD 3.49Å; H150-M253 HydrophobicContact CB-CE 4.36Å; H150-M253 WeakPolarHBondContact O-CE 3.26Å; D152-M253 HydrophobicContact CB-CB 3.9Å; D152-M253 HydrophobicContact CB-CE 4.2Å; D152-M253 HydrophobicContact CB-CG 4.02Å; D152-M253 WeakPolarHBondContact CB-O 3.22Å; W153-M253 WeakPolarHBondContact CB-O 3.49Å; W153-M253 PolarHBondContact N-O 3.37Å; R249-M253 HydrophobicContact CG-CG 4.1Å; R249-M253 HydrophobicContact CG-SD 3.57Å; R249-M253 VanDerWaalsContact CG-SD 3.57Å; R249-M253 VanDerWaalsContact O-CB 3.27Å; R249-M253 WeakPolarHBondContact O-CB 3.35Å; R249-M253 VanDerWaalsContact O-CG 3.25Å; R249-M253 WeakPolarHBondContact O-CG 3.31Å; R249-M253 PolarHBondContact O-N 2.94Å; Q250-M253 PolarHBondContact O-N 2.92Å; V251-M253 VanDerWaalsContact C-N 3.29Å; V251-M253 PolarHBondContact O-N 3.32Å
254	L	98.9	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-105.7	-20.3	177.1	-71.8	171.2	0	0	0	113.3	L92 I94 T182 L184 Q250 V251 R252 A281 N284 L285 M288 L347	L92-L254 HydrophobicContact CD1-CD2 4.11Å; I94-L254 HydrophobicContact CD1-CD1 4.12Å; I94-L254 HydrophobicContact CD1-CD2 4.31Å; I94-L254 HydrophobicContact CD1-CG 3.97Å; T182-L254 HydrophobicContact CG2-CD2 4.14Å; L184-L254 HydrophobicContact CD2-CD1 3.66Å; Q250-L254 VanDerWaalsContact O-CB 3.31Å; Q250-L254 WeakPolarHBondContact O-CB 3.4Å; Q250-L254 WeakPolarHBondContact O-CD1 3.42Å; Q250-L254 VanDerWaalsContact O-CG 3.27Å; Q250-L254 WeakPolarHBondContact O-CG 3.28Å; Q250-L254 PolarHBondContact O-N 2.92Å; Q250-L254 VanDerWaalsContact O-N 3.08Å; V251-L254 PolarHBondContact O-N 2.81Å; V251-L254 VanDerWaalsContact O-N 3.16Å; R252-L254 VanDerWaalsContact C-N 3.31Å; R252-L254 PolarHBondContact O-N 2.99Å; L254-A281 HydrophobicContact CB-CB 3.93Å; L254-N284 WeakPolarHBondContact O-CB 3.43Å; L254-N284 PolarHBondContact O-ND2 3.14Å; L254-L285 HydrophobicContact CD1-CB 4.5Å; L254-L285 HydrophobicContact CD1-CD1 4.12Å; L254-M288 HydrophobicContact CD2-CE 3.38Å; L254-M288 HydrophobicContact CD2-SD 4.37Å; L254-L347 HydrophobicContact CD1-CD2 3.87Å
255	A	98.9	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-72.9	156.1	176.1	0	0	0	0	0	111.3	T154 V251 L257 L277 A281	T154-A255 PolarHBondContact OG1-O 3.46Å; V251-A255 VanDerWaalsContact O-CB 3.27Å; V251-A255 WeakPolarHBondContact O-CB 3.33Å; V251-A255 PolarHBondContact O-N 3.47Å; A255-L257 HydrophobicContact CB-CD2 4.4Å; A255-L257 PolarHBondContact O-N 3.44Å; A255-L277 HydrophobicContact CB-CB 4.4Å; A255-L277 HydrophobicContact CB-CD2 3.62Å; A255-A281 HydrophobicContact CB-CB 4.36Å
256	D	98.6	Very high	98	Very high	44 Å²	44	28.6 Å²	28.6	24%	0.235	16%	0.164	C	C	.	.			trans	-82	104.2	160.2	-176.2	-0.8	0	0	0	109.3	T154 S258 L259 S280	T154-D256 WeakPolarHBondContact OG1-CA 3.48Å; D256-S258 PolarHBondContact O-N 2.92Å; D256-S258 WeakPolarHBondContact OD1-CB 3.45Å; D256-S258 PolarHBondContact OD1-N 3.12Å; D256-S258 VanDerWaalsContact OD1-N 3.14Å; D256-S258 PolarHBondContact OD1-OG 3.31Å; D256-S258 PolarHBondContact OD2-OG 2.94Å; D256-L259 HydrophobicContact CB-CD1 3.98Å; D256-L259 HydrophobicContact CB-CG 4.05Å; D256-L259 WeakPolarHBondContact O-CB 2.96Å; D256-L259 WeakPolarHBondContact O-CG 3.42Å; D256-L259 PolarHBondContact O-N 3.47Å; D256-S280 PolarHBondContact N-OG 3.33Å
257	L	98.6	Very high	97.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-69.7	-19.5	-177.2	-59.4	-176.9	0	0	0	113.3	T154 R252 A255 L259 V260 C262 Y263 L277	T154-L257 PolarHBondContact OG1-N 3.27Å; R252-L257 HydrophobicContact CG-CD1 4.26Å; R252-L257 HydrophobicContact CG-CD2 3.92Å; A255-L257 HydrophobicContact CB-CD2 4.4Å; A255-L257 PolarHBondContact O-N 3.44Å; L257-L259 PolarHBondContact O-N 3.24Å; L257-V260 VanDerWaalsContact O-CG2 3.28Å; L257-V260 WeakPolarHBondContact O-CG2 3.43Å; L257-V260 PolarHBondContact O-N 2.8Å; L257-V260 VanDerWaalsContact O-N 3.16Å; L257-C262 WeakPolarHBondContact O-CA 3.41Å; L257-C262 PolarHBondContact O-N 3.29Å; L257-Y263 HydrophobicContact CD1-CE1 4.39Å; L257-Y263 HydrophobicContact CD1-CE2 3.87Å; L257-Y263 WeakPolarHBondContact CD1-OH 3.34Å; L257-L277 HydrophobicContact CD2-CD2 3.6Å
258	S	98	Very high	97.7	Very high	39 Å²	39	35 Å²	35	27%	0.273	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-60.6	-32.3	175.9	68.3	0	0	0	0	111.5	D212 D256 V260 G261	D212-S258 VanDerWaalsContact OD1-CB 3.23Å; D212-S258 WeakPolarHBondContact OD1-CB 3.49Å; D256-S258 PolarHBondContact O-N 2.92Å; D256-S258 WeakPolarHBondContact OD1-CB 3.45Å; D256-S258 PolarHBondContact OD1-N 3.12Å; D256-S258 VanDerWaalsContact OD1-N 3.14Å; D256-S258 PolarHBondContact OD1-OG 3.31Å; D256-S258 PolarHBondContact OD2-OG 2.94Å; S258-V260 PolarHBondContact O-N 2.94Å; S258-G261 PolarHBondContact O-N 3.33Å
259	L	97.9	Very high	97.7	Very high	87 Å²	87	38 Å²	38	46%	0.455	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-60.6	-18.4	178.8	-60.8	177.9	0	0	0	114	D256 L257 S280	D256-L259 HydrophobicContact CB-CD1 3.98Å; D256-L259 HydrophobicContact CB-CG 4.05Å; D256-L259 WeakPolarHBondContact O-CB 2.96Å; D256-L259 WeakPolarHBondContact O-CG 3.42Å; D256-L259 PolarHBondContact O-N 3.47Å; L257-L259 PolarHBondContact O-N 3.24Å; L259-S280 WeakPolarHBondContact CD1-OG 3.34Å
260	V	98.2	Very high	97.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-124.4	20	-175.4	-60.1	0	0	0	0	112.8	L257 S258 F267 I268 R273 L276 L277	L257-V260 VanDerWaalsContact O-CG2 3.28Å; L257-V260 WeakPolarHBondContact O-CG2 3.43Å; L257-V260 PolarHBondContact O-N 2.8Å; L257-V260 VanDerWaalsContact O-N 3.16Å; S258-V260 PolarHBondContact O-N 2.94Å; V260-F267 WeakPolarHBondContact O-CD1 3.41Å; V260-I268 HydrophobicContact CB-CD1 3.88Å; V260-I268 HydrophobicContact CG1-CD1 3.76Å; V260-R273 HydrophobicContact CB-CG 4.07Å; V260-R273 HydrophobicContact CG1-CG 4.17Å; V260-R273 HydrophobicContact CG2-CG 4.39Å; V260-R273 VanDerWaalsContact CG2-NH1 3.28Å; V260-R273 PolarHBondContact O-NH1 3.33Å; V260-L276 HydrophobicContact CG1-CB 3.75Å; V260-L276 HydrophobicContact CG1-CD1 4.1Å; V260-L277 HydrophobicContact CG1-CD2 4.26Å; V260-L277 HydrophobicContact CG1-CG 4.16Å; V260-L277 HydrophobicContact CG2-CD2 3.73Å; V260-L277 HydrophobicContact CG2-CG 4.22Å
261	G	97.3	Very high	97.4	Very high	14 Å²	14	48.4 Å²	48.4	14%	0.144	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	34.7	-178.8	0	0	0	0	0	112.9	S258 Y263 N264	S258-G261 PolarHBondContact O-N 3.33Å; G261-Y263 PolarHBondContact O-N 2.94Å; G261-N264 WeakPolarHBondContact O-CB 3.42Å; G261-N264 PolarHBondContact O-N 3.02Å; G261-N264 VanDerWaalsContact O-N 3.13Å
262	C	97.8	Very high	97.4	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.041	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	-124	179.1	-59.6	0	0	0	0	112.3	C211 D212 L257 R273	C211-C262 VanDerWaalsContact C-SG 3.57Å; C211-C262 HydrophobicContact CB-CB 3.58Å; C211-C262 WeakPolarHBondContact CB-SG 3.42Å; C211-C262 VanDerWaalsContact SG-CA 3.5Å; C211-C262 WeakPolarHBondContact SG-CB 3.42Å; C211-C262 CovalentContact SG-SG 2.03Å; C211-C262 PolarHBondContact SG-SG 3.3Å; D212-C262 VanDerWaalsContact CG-SG 3.56Å; D212-C262 PolarHBondContact OD2-SG 3.19Å; L257-C262 WeakPolarHBondContact O-CA 3.41Å; L257-C262 PolarHBondContact O-N 3.29Å; C262-R273 PolarHBondContact O-NH1 2.83Å; C262-R273 VanDerWaalsContact O-NH1 3.1Å; C262-R273 PolarHBondContact O-NH2 2.89Å
263	Y	97.3	Very high	97.4	Very high	15 Å²	15	53.1 Å²	53.1	6%	0.059	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	0.9	-178.4	-65.7	-89.6	0	0	0	113.1	H209 C211 P216 L221 L257 G261 L265	H209-Y263 HydrophobicContact CB-CE1 4.49Å; H209-Y263 HydrophobicContact CB-CE2 3.75Å; H209-Y263 AromaticContact ND1-CZ 3.89Å; H209-Y263 PolarHBondContact ND1-OH 3.23Å; H209-Y263 VanDerWaalsContact ND1-OH 3.14Å; H209-Y263 VanDerWaalsContact O-CE2 3.28Å; H209-Y263 WeakPolarHBondContact O-CE2 3.46Å; C211-Y263 HydrophobicContact CB-CE2 4.43Å; P216-Y263 HydrophobicContact CB-CD2 4.02Å; P216-Y263 HydrophobicContact CB-CG 4.01Å; P216-Y263 HydrophobicContact CG-CD2 4.12Å; P216-Y263 HydrophobicContact CG-CG 4.32Å; L221-Y263 HydrophobicContact CD1-CD1 3.84Å; L221-Y263 HydrophobicContact CD1-CE1 3.81Å; L257-Y263 HydrophobicContact CD1-CE1 4.39Å; L257-Y263 HydrophobicContact CD1-CE2 3.87Å; L257-Y263 WeakPolarHBondContact CD1-OH 3.34Å; G261-Y263 PolarHBondContact O-N 2.94Å; Y263-L265 PolarHBondContact O-N 2.73Å; Y263-L265 VanDerWaalsContact O-N 3.09Å
264	N	96.5	Very high	97.3	Very high	64 Å²	64	54.1 Å²	54.1	34%	0.342	31%	0.308	S	S	.	.			trans	-75.7	98.7	172.8	-178.5	-0.9	0	0	0	110.2	G261 S266 F267	G261-N264 WeakPolarHBondContact O-CB 3.42Å; G261-N264 PolarHBondContact O-N 3.02Å; G261-N264 VanDerWaalsContact O-N 3.13Å; N264-S266 PolarHBondContact O-N 3.05Å; N264-S266 PolarHBondContact OD1-N 3.31Å; N264-S266 VanDerWaalsContact OD1-N 3.09Å; N264-F267 HydrophobicContact CB-CB 4.47Å; N264-F267 WeakPolarHBondContact O-CB 3.21Å; N264-F267 PolarHBondContact O-N 2.88Å
265	L	94.5	Very high	97.3	Very high	118 Å²	118	59.1 Å²	59.1	62%	0.618	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.7	-178.1	-58.9	174	0	0	0	113.1	Y263 F267	Y263-L265 PolarHBondContact O-N 2.73Å; Y263-L265 VanDerWaalsContact O-N 3.09Å; L265-F267 VanDerWaalsContact C-N 3.32Å
266	S	94.6	Very high	97.3	Very high	114 Å²	114	61.7 Å²	61.7	80%	0.797	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-4	179.8	-56	0	0	0	0	113.8	N264 I268	N264-S266 PolarHBondContact O-N 3.05Å; N264-S266 PolarHBondContact OD1-N 3.31Å; N264-S266 VanDerWaalsContact OD1-N 3.09Å; S266-I268 PolarHBondContact O-N 3.4Å
267	F	95.8	Very high	97.3	Very high	119 Å²	119	60.3 Å²	60.3	52%	0.522	34%	0.338	S	S	.	.	S	Bend	trans	-64.1	-39.2	-176.6	179.6	-107.5	0	0	0	113	V260 N264 L265	V260-F267 WeakPolarHBondContact O-CD1 3.41Å; N264-F267 HydrophobicContact CB-CB 4.47Å; N264-F267 WeakPolarHBondContact O-CB 3.21Å; N264-F267 PolarHBondContact O-N 2.88Å; L265-F267 VanDerWaalsContact C-N 3.32Å
268	I	96.7	Very high	97.3	Very high	37 Å²	37	60.7 Å²	60.7	19%	0.19	34%	0.339	C	S	.	.	S	Bend	trans	-145.5	155.8	178.3	52.1	169.1	0	0	0	110.3	V260 S266 R273 L276	V260-I268 HydrophobicContact CB-CD1 3.88Å; V260-I268 HydrophobicContact CG1-CD1 3.76Å; S266-I268 PolarHBondContact O-N 3.4Å; I268-R273 HydrophobicContact CD1-CB 3.84Å; I268-R273 HydrophobicContact CD1-CG 4.44Å; I268-R273 HydrophobicContact CG1-CB 3.98Å; I268-L276 HydrophobicContact CD1-CD1 3.76Å
269	P	97.5	Very high	97.3	Very high	100 Å²	100	63.7 Å²	63.7	65%	0.649	35%	0.349	S	S	*	.			trans	-56	141.6	177.3	-25.8	34.7	0	0	0	113	G271 K272 R273	P269-G271 PolarHBondContact O-N 3.4Å; P269-K272 WeakPolarHBondContact O-CA 3.18Å; P269-K272 WeakPolarHBondContact O-CB 3.16Å; P269-K272 PolarHBondContact O-N 3.01Å; P269-R273 PolarHBondContact O-N 2.87Å
270	E	95.7	Very high	97.4	Very high	167 Å²	167	59.9 Å²	59.9	78%	0.78	33%	0.33	S	S	*	.	H	α-helix	trans	-51.9	-47.4	-174.4	-176	-179.6	-179.2	0	0	113.3	K272 R273 A274	E270-K272 VanDerWaalsContact C-N 3.28Å; E270-K272 PolarHBondContact O-N 2.87Å; E270-R273 WeakPolarHBondContact O-CB 3.45Å; E270-R273 PolarHBondContact O-N 2.83Å; E270-R273 VanDerWaalsContact O-N 3.15Å; E270-A274 WeakPolarHBondContact O-CB 3.31Å; E270-A274 PolarHBondContact O-N 2.95Å
271	G	97	Very high	97.4	Very high	59 Å²	59	59.9 Å²	59.9	61%	0.608	33%	0.33	S	S	*	.	H	α-helix	trans	-61	-36.4	178.2	0	0	0	0	0	113	P269 Q275	P269-G271 PolarHBondContact O-N 3.4Å; G271-Q275 PolarHBondContact O-N 3.3Å
272	K	97.9	Very high	97.5	Very high	100 Å²	100	60.3 Å²	60.3	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-73	-39.3	175.9	-172	62	-177.4	176.3	0	111.5	P269 E270 Q275 L276	P269-K272 WeakPolarHBondContact O-CA 3.18Å; P269-K272 WeakPolarHBondContact O-CB 3.16Å; P269-K272 PolarHBondContact O-N 3.01Å; E270-K272 VanDerWaalsContact C-N 3.28Å; E270-K272 PolarHBondContact O-N 2.87Å; K272-Q275 PolarHBondContact O-N 2.88Å; K272-L276 HydrophobicContact CG-CD1 4.2Å; K272-L276 WeakPolarHBondContact O-CG 3.27Å; K272-L276 PolarHBondContact O-N 3.04Å
273	R	98.3	Very high	97.5	Very high	26 Å²	26	66.8 Å²	66.8	10%	0.098	36%	0.355	C	S	.	.	H	α-helix	trans	-57.7	-50.9	173.9	-178.3	176.2	177.5	89	3.8	111.2	V260 C262 I268 P269 E270 Q275 L276 L277	V260-R273 HydrophobicContact CB-CG 4.07Å; V260-R273 HydrophobicContact CG1-CG 4.17Å; V260-R273 HydrophobicContact CG2-CG 4.39Å; V260-R273 VanDerWaalsContact CG2-NH1 3.28Å; V260-R273 PolarHBondContact O-NH1 3.33Å; C262-R273 PolarHBondContact O-NH1 2.83Å; C262-R273 VanDerWaalsContact O-NH1 3.1Å; C262-R273 PolarHBondContact O-NH2 2.89Å; I268-R273 HydrophobicContact CD1-CB 3.84Å; I268-R273 HydrophobicContact CD1-CG 4.44Å; I268-R273 HydrophobicContact CG1-CB 3.98Å; P269-R273 PolarHBondContact O-N 2.87Å; E270-R273 WeakPolarHBondContact O-CB 3.45Å; E270-R273 PolarHBondContact O-N 2.83Å; E270-R273 VanDerWaalsContact O-N 3.15Å; R273-Q275 PolarHBondContact O-N 3.44Å; R273-L276 PolarHBondContact O-N 3.18Å; R273-L277 HydrophobicContact CG-CD1 3.93Å; R273-L277 HydrophobicContact CG-CG 4.4Å; R273-L277 WeakPolarHBondContact O-CB 3.34Å; R273-L277 VanDerWaalsContact O-CG 3.31Å; R273-L277 WeakPolarHBondContact O-CG 3.39Å; R273-L277 PolarHBondContact O-N 2.98Å
274	A	98.1	Very high	97.6	Very high	26 Å²	26	67 Å²	67	22%	0.215	36%	0.358	C	S	.	.	H	α-helix	trans	-56.2	-47.9	178.5	0	0	0	0	0	112	E270 L277 L278 L343	E270-A274 WeakPolarHBondContact O-CB 3.31Å; E270-A274 PolarHBondContact O-N 2.95Å; A274-L277 PolarHBondContact O-N 2.9Å; A274-L278 WeakPolarHBondContact O-CB 3.38Å; A274-L278 PolarHBondContact O-N 2.79Å; A274-L343 HydrophobicContact CB-CD1 3.99Å; A274-L343 HydrophobicContact CB-CD2 3.94Å
275	Q	98.4	Very high	97.7	Very high	105 Å²	105	64 Å²	64	49%	0.491	34%	0.341	S	S	.	.	H	α-helix	trans	-59.4	-49.1	177	-171.9	-171.8	30.8	0	0	112.1	G271 K272 R273 L278 E279	G271-Q275 PolarHBondContact O-N 3.3Å; K272-Q275 PolarHBondContact O-N 2.88Å; R273-Q275 PolarHBondContact O-N 3.44Å; Q275-L278 PolarHBondContact O-N 3.05Å; Q275-E279 WeakPolarHBondContact O-CB 3.19Å; Q275-E279 WeakPolarHBondContact O-CG 3.45Å; Q275-E279 PolarHBondContact O-N 3.09Å
276	L	98.5	Very high	97.8	Very high	55 Å²	55	61.9 Å²	61.9	29%	0.288	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-41.4	-178.8	-72.5	173.3	0	0	0	112.1	V260 I268 K272 R273 S280	V260-L276 HydrophobicContact CG1-CB 3.75Å; V260-L276 HydrophobicContact CG1-CD1 4.1Å; I268-L276 HydrophobicContact CD1-CD1 3.76Å; K272-L276 HydrophobicContact CG-CD1 4.2Å; K272-L276 WeakPolarHBondContact O-CG 3.27Å; K272-L276 PolarHBondContact O-N 3.04Å; R273-L276 PolarHBondContact O-N 3.18Å; L276-S280 WeakPolarHBondContact O-CB 3.15Å; L276-S280 PolarHBondContact O-N 2.72Å
277	L	98.8	Very high	98	Very high	15 Å²	15	59.2 Å²	59.2	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-47.9	176.7	-73.5	176.2	0	0	0	111.6	V251 A255 L257 V260 R273 A274 S280 A281	V251-L277 HydrophobicContact CG1-CB 3.84Å; A255-L277 HydrophobicContact CB-CB 4.4Å; A255-L277 HydrophobicContact CB-CD2 3.62Å; L257-L277 HydrophobicContact CD2-CD2 3.6Å; V260-L277 HydrophobicContact CG1-CD2 4.26Å; V260-L277 HydrophobicContact CG1-CG 4.16Å; V260-L277 HydrophobicContact CG2-CD2 3.73Å; V260-L277 HydrophobicContact CG2-CG 4.22Å; R273-L277 HydrophobicContact CG-CD1 3.93Å; R273-L277 HydrophobicContact CG-CG 4.4Å; R273-L277 WeakPolarHBondContact O-CB 3.34Å; R273-L277 VanDerWaalsContact O-CG 3.31Å; R273-L277 WeakPolarHBondContact O-CG 3.39Å; R273-L277 PolarHBondContact O-N 2.98Å; A274-L277 PolarHBondContact O-N 2.9Å; L277-S280 PolarHBondContact O-N 3.15Å; L277-A281 WeakPolarHBondContact O-CB 3.35Å; L277-A281 PolarHBondContact O-N 3.2Å
278	L	98.8	Very high	98.1	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-46.7	-179.6	-179.2	60.9	0	0	0	111.8	V251 A274 Q275 S280 A281 K282 L343 Q346 L347	V251-L278 HydrophobicContact CG2-CD1 4.09Å; A274-L278 WeakPolarHBondContact O-CB 3.38Å; A274-L278 PolarHBondContact O-N 2.79Å; Q275-L278 PolarHBondContact O-N 3.05Å; L278-S280 VanDerWaalsContact C-N 3.35Å; L278-S280 PolarHBondContact O-N 2.91Å; L278-A281 PolarHBondContact O-N 2.83Å; L278-K282 HydrophobicContact CD1-CD 4.48Å; L278-K282 HydrophobicContact CD1-CG 4.42Å; L278-K282 HydrophobicContact CG-CD 4.36Å; L278-K282 WeakPolarHBondContact O-CG 3.3Å; L278-K282 PolarHBondContact O-N 3.06Å; L278-L343 WeakPolarHBondContact CD1-O 3.32Å; L278-Q346 HydrophobicContact CD1-CB 4.1Å; L278-Q346 HydrophobicContact CD2-CB 3.83Å; L278-Q346 HydrophobicContact CD2-CG 4.43Å; L278-L347 HydrophobicContact CD1-CB 3.97Å
279	E	98.7	Very high	98.1	Very high	102 Å²	102	52.3 Å²	52.3	48%	0.477	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-38.5	178.7	-70.5	-54.1	121.8	0	0	112	Q275 K282 K283	Q275-E279 WeakPolarHBondContact O-CB 3.19Å; Q275-E279 WeakPolarHBondContact O-CG 3.45Å; Q275-E279 PolarHBondContact O-N 3.09Å; E279-K282 IonicContact OE1-NZ 3.24Å; E279-K283 VanDerWaalsContact O-CB 3.25Å; E279-K283 WeakPolarHBondContact O-CB 3.42Å; E279-K283 PolarHBondContact O-N 3.06Å
280	S	98.8	Very high	98.2	Very high	8 Å²	8	47.8 Å²	47.8	6%	0.056	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-48.2	173.9	-170.4	0	0	0	0	111.6	D256 L259 L276 L277 L278 K282 K283 N284	D256-S280 PolarHBondContact N-OG 3.33Å; L259-S280 WeakPolarHBondContact CD1-OG 3.34Å; L276-S280 WeakPolarHBondContact O-CB 3.15Å; L276-S280 PolarHBondContact O-N 2.72Å; L277-S280 PolarHBondContact O-N 3.15Å; L278-S280 VanDerWaalsContact C-N 3.35Å; L278-S280 PolarHBondContact O-N 2.91Å; S280-K282 PolarHBondContact O-N 3.03Å; S280-K283 PolarHBondContact O-N 2.62Å; S280-N284 WeakPolarHBondContact O-CB 3.24Å; S280-N284 PolarHBondContact O-N 3.34Å; S280-N284 PolarHBondContact O-ND2 3.31Å; S280-N284 PolarHBondContact OG-ND2 2.94Å
281	A	98.9	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-45.5	177.7	0	0	0	0	0	112.3	V251 L254 A255 L277 L278 N284 L285 L347	V251-A281 HydrophobicContact CB-CB 4.42Å; V251-A281 HydrophobicContact CG1-CB 4.17Å; V251-A281 HydrophobicContact CG2-CB 4.42Å; L254-A281 HydrophobicContact CB-CB 3.93Å; A255-A281 HydrophobicContact CB-CB 4.36Å; L277-A281 WeakPolarHBondContact O-CB 3.35Å; L277-A281 PolarHBondContact O-N 3.2Å; L278-A281 PolarHBondContact O-N 2.83Å; A281-N284 PolarHBondContact O-N 2.8Å; A281-L285 WeakPolarHBondContact O-CB 3.27Å; A281-L285 PolarHBondContact O-N 3.29Å; A281-L347 HydrophobicContact CB-CD1 4.12Å; A281-L347 HydrophobicContact CB-CD2 4.28Å
282	K	98.8	Very high	98.4	Very high	23 Å²	23	37.1 Å²	37.1	10%	0.1	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-46.5	175	-73.8	177.2	-177.6	165.4	0	111.5	L278 E279 S280 R286 L347 Y350	L278-K282 HydrophobicContact CD1-CD 4.48Å; L278-K282 HydrophobicContact CD1-CG 4.42Å; L278-K282 HydrophobicContact CG-CD 4.36Å; L278-K282 WeakPolarHBondContact O-CG 3.3Å; L278-K282 PolarHBondContact O-N 3.06Å; E279-K282 IonicContact OE1-NZ 3.24Å; S280-K282 PolarHBondContact O-N 3.03Å; K282-R286 WeakPolarHBondContact O-CB 3.25Å; K282-R286 PolarHBondContact O-N 3.35Å; K282-L347 HydrophobicContact CG-CD1 3.96Å; K282-Y350 HydrophobicContact CB-CD1 4.14Å; K282-Y350 HydrophobicContact CB-CE1 3.83Å; K282-Y350 HydrophobicContact CD-CD1 4.23Å; K282-Y350 HydrophobicContact CD-CD2 4.09Å; K282-Y350 HydrophobicContact CD-CE1 4.49Å; K282-Y350 HydrophobicContact CD-CE2 4.34Å; K282-Y350 HydrophobicContact CD-CG 4.01Å; K282-Y350 HydrophobicContact CG-CD1 3.71Å; K282-Y350 HydrophobicContact CG-CD2 4.46Å; K282-Y350 HydrophobicContact CG-CE1 3.94Å; K282-Y350 HydrophobicContact CG-CG 3.98Å
283	K	98.6	Very high	98.4	Very high	142 Å²	142	32.4 Å²	32.4	62%	0.617	17%	0.169	S	C	*	.	H	α-helix	trans	-59.4	-50.2	178.1	-179.7	-174.8	174.9	-172.1	0	111.4	E279 S280 R286 G287	E279-K283 VanDerWaalsContact O-CB 3.25Å; E279-K283 WeakPolarHBondContact O-CB 3.42Å; E279-K283 PolarHBondContact O-N 3.06Å; S280-K283 PolarHBondContact O-N 2.62Å; K283-R286 PolarHBondContact O-N 3.36Å; K283-G287 PolarHBondContact O-N 2.99Å
284	N	98.6	Very high	98.4	Very high	20 Å²	20	32 Å²	32	11%	0.107	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-48.3	-177.6	-64.7	-19.9	0	0	0	111.1	W153 L254 S280 A281 R286 G287 M288	W153-N284 HydrophobicContact CD2-CB 4.07Å; W153-N284 HydrophobicContact CE3-CB 4.49Å; W153-N284 HydrophobicContact CH2-CB 4.45Å; W153-N284 HydrophobicContact CZ2-CB 4.02Å; W153-N284 PolarHBondContact NE1-ND2 2.9Å; L254-N284 WeakPolarHBondContact O-CB 3.43Å; L254-N284 PolarHBondContact O-ND2 3.14Å; S280-N284 WeakPolarHBondContact O-CB 3.24Å; S280-N284 PolarHBondContact O-N 3.34Å; S280-N284 PolarHBondContact O-ND2 3.31Å; S280-N284 PolarHBondContact OG-ND2 2.94Å; A281-N284 PolarHBondContact O-N 2.8Å; N284-R286 VanDerWaalsContact C-N 3.33Å; N284-R286 PolarHBondContact O-N 3.37Å; N284-G287 CarbonylContact O-C 3.52Å; N284-G287 WeakPolarHBondContact O-CA 3.43Å; N284-G287 PolarHBondContact O-N 3.39Å; N284-M288 WeakPolarHBondContact O-CG 3.48Å; N284-M288 PolarHBondContact O-N 3.29Å
285	L	98.6	Very high	98.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.4	-44.4	177.1	-177.9	71	0	0	0	112.2	T182 L184 L254 A281 G287 M288 F291 L347 A351	T182-L285 HydrophobicContact CG2-CD1 3.75Å; L184-L285 HydrophobicContact CD1-CD1 3.91Å; L184-L285 HydrophobicContact CD1-CD2 3.59Å; L184-L285 HydrophobicContact CD1-CG 4.41Å; L184-L285 HydrophobicContact CG-CD1 4.47Å; L254-L285 HydrophobicContact CD1-CB 4.5Å; L254-L285 HydrophobicContact CD1-CD1 4.12Å; A281-L285 WeakPolarHBondContact O-CB 3.27Å; A281-L285 PolarHBondContact O-N 3.29Å; L285-G287 VanDerWaalsContact C-N 3.3Å; L285-G287 PolarHBondContact O-N 3.33Å; L285-M288 HydrophobicContact CD1-SD 4.29Å; L285-M288 WeakPolarHBondContact O-CB 3.31Å; L285-M288 PolarHBondContact O-N 3.45Å; L285-F291 HydrophobicContact CD1-CB 3.82Å; L285-F291 HydrophobicContact CD1-CD1 3.83Å; L285-F291 HydrophobicContact CD1-CD2 4.15Å; L285-F291 HydrophobicContact CD1-CE1 4.45Å; L285-F291 HydrophobicContact CD1-CG 3.67Å; L285-F291 HydrophobicContact CD2-CE1 4.46Å; L285-F291 HydrophobicContact CD2-CZ 4.42Å; L285-F291 HydrophobicContact CG-CD1 3.97Å; L285-F291 HydrophobicContact CG-CE1 4.14Å; L285-F291 HydrophobicContact CG-CG 4.25Å; L285-L347 HydrophobicContact CD2-CD1 4.13Å; L285-A351 HydrophobicContact CD2-CB 3.55Å
286	R	97.8	Very high	98.1	Very high	74 Å²	74	30.7 Å²	30.7	28%	0.279	16%	0.159	S	C	.	.	H	α-helix	trans	-64.8	-36.5	176.7	173.4	175.6	51.1	178.7	-3.3	112.2	E74 R77 K282 K283 N284 Y350 L354 R358	E74-R286 HydrophobicContact CB-CG 4.45Å; E74-R286 HydrophobicContact CG-CG 4.2Å; E74-R286 IonicContact OE1-CZ 3.69Å; E74-R286 IonicContact OE1-NH1 3.39Å; E74-R286 PolarHBondContact OE1-NH1 2.93Å; E74-R286 WeakPolarHBondContact OE2-CD 3.46Å; E74-R286 IonicContact OE2-CZ 3.99Å; E74-R286 IonicContact OE2-NE 3.45Å; E74-R286 IonicContact OE2-NH1 3.82Å; E74-R286 PolarHBondContact OE2-NH1 3.35Å; R77-R286 PolarHBondContact NH2-O 2.86Å; K282-R286 WeakPolarHBondContact O-CB 3.25Å; K282-R286 PolarHBondContact O-N 3.35Å; K283-R286 PolarHBondContact O-N 3.36Å; N284-R286 VanDerWaalsContact C-N 3.33Å; N284-R286 PolarHBondContact O-N 3.37Å; R286-Y350 WeakPolarHBondContact CD-OH 3.34Å; R286-Y350 PolarHBondContact NE-OH 3.03Å; R286-L354 HydrophobicContact CB-CD2 4.09Å; R286-L354 HydrophobicContact CG-CD2 4.27Å; R286-R358 PolarHBondContact O-NH2 2.77Å
287	G	97	Very high	98	Very high	57 Å²	57	28.9 Å²	28.9	59%	0.588	15%	0.149	S	C	*	.	H	α-helix	trans	-73.5	-20.5	177.2	0	0	0	0	0	114.5	K283 N284 L285	K283-G287 PolarHBondContact O-N 2.99Å; N284-G287 CarbonylContact O-C 3.52Å; N284-G287 WeakPolarHBondContact O-CA 3.43Å; N284-G287 PolarHBondContact O-N 3.39Å; L285-G287 VanDerWaalsContact C-N 3.3Å; L285-G287 PolarHBondContact O-N 3.33Å
288	M	98.1	Very high	97.8	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	15%	0.153	C	C	.	.	S	Bend	trans	-57.9	150.7	174.9	-73.4	-174.9	178.8	0	0	112.1	R77 L92 W153 Y180 T182 L254 N284 L285 F290	R77-M288 PolarHBondContact NE-O 3.44Å; L92-M288 HydrophobicContact CD1-CE 4.02Å; W153-M288 HydrophobicContact CE3-CE 3.53Å; W153-M288 HydrophobicContact CZ3-CE 3.63Å; W153-M288 HydrophobicContact CZ3-CG 4.15Å; Y180-M288 WeakPolarHBondContact O-CB 3.27Å; T182-M288 HydrophobicContact CG2-CE 4.3Å; T182-M288 HydrophobicContact CG2-SD 3.63Å; L254-M288 HydrophobicContact CD2-CE 3.38Å; L254-M288 HydrophobicContact CD2-SD 4.37Å; N284-M288 WeakPolarHBondContact O-CG 3.48Å; N284-M288 PolarHBondContact O-N 3.29Å; L285-M288 HydrophobicContact CD1-SD 4.29Å; L285-M288 WeakPolarHBondContact O-CB 3.31Å; L285-M288 PolarHBondContact O-N 3.45Å; M288-F290 VanDerWaalsContact C-N 3.31Å; M288-F290 PolarHBondContact O-N 3.23Å
289	A	97.7	Very high	97.7	Very high	9 Å²	9	31 Å²	31	7%	0.074	16%	0.155	C	C	.	.	S	Bend	trans	-59.8	-45	176.1	0	0	0	0	0	110.8	L79 Y179 Y180 I181 T307 F308	L79-A289 HydrophobicContact CD1-CB 3.49Å; L79-A289 VanDerWaalsContact CD1-CB 3.49Å; Y179-A289 HydrophobicContact CD1-CB 4.06Å; Y179-A289 HydrophobicContact CG-CB 4.27Å; Y180-A289 PolarHBondContact O-N 3.2Å; I181-A289 HydrophobicContact CG2-CB 4.35Å; A289-T307 WeakPolarHBondContact O-CG2 3.35Å; A289-F308 HydrophobicContact CB-CE1 4.21Å; A289-F308 HydrophobicContact CB-CZ 3.79Å
290	F	98.5	Very high	97.7	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.022	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	146.5	-179.2	165.1	-95.2	0	0	0	110.4	F102 I181 T182 M288 T300 L303 F304 T307 F308	F102-F290 HydrophobicContact CE2-CE1 4.25Å; F102-F290 HydrophobicContact CZ-CD1 4.42Å; F102-F290 AromaticContact CZ-CE1 3.77Å; F102-F290 HydrophobicContact CZ-CE1 3.77Å; I181-F290 WeakPolarHBondContact CA-O 3.23Å; I181-F290 HydrophobicContact CB-CD1 4.16Å; I181-F290 WeakPolarHBondContact CB-O 3.47Å; I181-F290 HydrophobicContact CG2-CB 3.81Å; I181-F290 HydrophobicContact CG2-CD1 4.18Å; T182-F290 PolarHBondContact N-O 2.83Å; M288-F290 VanDerWaalsContact C-N 3.31Å; M288-F290 PolarHBondContact O-N 3.23Å; F290-T300 HydrophobicContact CZ-CG2 3.93Å; F290-T300 VanDerWaalsContact CZ-O 3.31Å; F290-T300 WeakPolarHBondContact CZ-O 3.31Å; F290-L303 HydrophobicContact CD2-CB 4.12Å; F290-L303 HydrophobicContact CE2-CB 3.61Å; F290-F304 HydrophobicContact CD1-CB 4.41Å; F290-F304 AromaticContact CD1-CD2 3.75Å; F290-F304 HydrophobicContact CD1-CD2 3.75Å; F290-F304 HydrophobicContact CD2-CB 4.27Å; F290-F304 HydrophobicContact CE1-CB 4.04Å; F290-F304 AromaticContact CE1-CD2 3.85Å; F290-F304 HydrophobicContact CE1-CD2 3.85Å; F290-F304 HydrophobicContact CE1-CG 4.46Å; F290-F304 HydrophobicContact CE2-CB 3.89Å; F290-F304 VanDerWaalsContact CE2-N 3.26Å; F290-F304 HydrophobicContact CG-CD2 4.25Å; F290-F304 HydrophobicContact CZ-CB 3.75Å; F290-F304 HydrophobicContact CZ-CD2 4.43Å; F290-T307 HydrophobicContact CB-CG2 4.14Å; F290-F308 HydrophobicContact CB-CE2 3.8Å; F290-F308 HydrophobicContact CB-CZ 4.32Å; F290-F308 HydrophobicContact CG-CE2 4.44Å
291	F	98.8	Very high	97.6	Very high	3 Å²	3	26 Å²	26	1%	0.013	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.5	160.7	72	-89.1	0	0	0	109.6	T182 L184 L285 L293 A351 L354 F355 R358	T182-F291 HydrophobicContact CG2-CB 3.82Å; T182-F291 VanDerWaalsContact O-CA 3.27Å; T182-F291 WeakPolarHBondContact O-CA 3.48Å; L184-F291 HydrophobicContact CD1-CD2 4.47Å; L285-F291 HydrophobicContact CD1-CB 3.82Å; L285-F291 HydrophobicContact CD1-CD1 3.83Å; L285-F291 HydrophobicContact CD1-CD2 4.15Å; L285-F291 HydrophobicContact CD1-CE1 4.45Å; L285-F291 HydrophobicContact CD1-CG 3.67Å; L285-F291 HydrophobicContact CD2-CE1 4.46Å; L285-F291 HydrophobicContact CD2-CZ 4.42Å; L285-F291 HydrophobicContact CG-CD1 3.97Å; L285-F291 HydrophobicContact CG-CE1 4.14Å; L285-F291 HydrophobicContact CG-CG 4.25Å; F291-L293 HydrophobicContact CD2-CD2 4.27Å; F291-L293 HydrophobicContact CE2-CD2 4.09Å; F291-L293 HydrophobicContact CE2-CG 4.48Å; F291-A351 HydrophobicContact CE2-CB 4.07Å; F291-A351 WeakPolarHBondContact CE2-O 3.49Å; F291-A351 HydrophobicContact CZ-CB 4.34Å; F291-A351 WeakPolarHBondContact CZ-O 3.4Å; F291-L354 HydrophobicContact CE1-CD2 3.79Å; F291-L354 HydrophobicContact CE1-CG 4.09Å; F291-L354 HydrophobicContact CZ-CB 4.28Å; F291-L354 HydrophobicContact CZ-CD2 4.15Å; F291-L354 HydrophobicContact CZ-CG 4.14Å; F291-F355 HydrophobicContact CD2-CD2 4.44Å; F291-F355 HydrophobicContact CE2-CB 3.83Å; F291-F355 HydrophobicContact CE2-CD2 4.1Å; F291-F355 HydrophobicContact CE2-CG 4.41Å; F291-F355 HydrophobicContact CZ-CB 3.95Å; F291-R358 VanDerWaalsContact CE1-NH1 3.25Å
292	G	98.6	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	165.7	175.8	0	0	0	0	0	112.7	T182 L183 L184 T300	T182-G292 PolarHBondContact O-N 2.85Å; L183-G292 WeakPolarHBondContact CA-O 3.45Å; L184-G292 PolarHBondContact N-O 3.48Å; G292-T300 WeakPolarHBondContact CA-OG1 3.38Å
293	L	98.4	Very high	97.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.4	174.3	-59.5	-177.8	0	0	0	109.6	L184 F291 E295 F296 T300 Y348 K352 F355	L184-L293 HydrophobicContact CB-CD2 3.8Å; F291-L293 HydrophobicContact CD2-CD2 4.27Å; F291-L293 HydrophobicContact CE2-CD2 4.09Å; F291-L293 HydrophobicContact CE2-CG 4.48Å; L293-E295 PolarHBondContact O-N 3.38Å; L293-F296 HydrophobicContact CB-CD2 3.83Å; L293-F296 HydrophobicContact CD1-CD2 3.81Å; L293-F296 HydrophobicContact CD1-CE2 3.99Å; L293-F296 HydrophobicContact CG-CD2 4.42Å; L293-F296 PolarHBondContact O-N 2.91Å; L293-T300 PolarHBondContact N-OG1 2.98Å; L293-T300 VanDerWaalsContact N-OG1 3.09Å; L293-T300 PolarHBondContact O-OG1 3.46Å; L293-T300 VanDerWaalsContact O-OG1 3.11Å; L293-Y348 HydrophobicContact CD2-CE2 3.92Å; L293-K352 HydrophobicContact CD1-CB 4.24Å; L293-K352 HydrophobicContact CD1-CG 4.31Å; L293-F355 HydrophobicContact CD1-CB 3.71Å; L293-F355 HydrophobicContact CD1-CD1 3.66Å; L293-F355 HydrophobicContact CD1-CD2 4.34Å; L293-F355 HydrophobicContact CD1-CE1 4.34Å; L293-F355 HydrophobicContact CD1-CG 3.65Å; L293-F355 HydrophobicContact CG-CB 4.21Å; L293-F355 HydrophobicContact CG-CD1 4.12Å; L293-F355 HydrophobicContact CG-CD2 4.04Å; L293-F355 HydrophobicContact CG-CE1 4.49Å; L293-F355 HydrophobicContact CG-CE2 4.43Å; L293-F355 HydrophobicContact CG-CG 3.86Å
294	T	97.1	Very high	97.5	Very high	18 Å²	18	18.8 Å²	18.8	11%	0.11	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-34.5	-176.3	-59.7	0	0	0	0	111.7	T97 L184 R185 F296 Q297 Q318	T97-T294 PolarHBondContact O-OG1 2.7Å; L184-T294 PolarHBondContact O-N 3.3Å; L184-T294 PolarHBondContact O-OG1 2.74Å; R185-T294 WeakPolarHBondContact CB-OG1 3.42Å; R185-T294 HydrophobicContact CG-CG2 4.22Å; T294-F296 VanDerWaalsContact C-N 3.26Å; T294-F296 PolarHBondContact O-N 3.06Å; T294-Q297 PolarHBondContact O-NE2 3.43Å; T294-Q318 PolarHBondContact O-NE2 3.02Å
295	E	94.5	Very high	97.4	Very high	52 Å²	52	18.1 Å²	18.1	24%	0.243	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.8	-176.8	-60.2	73.4	-160.7	0	0	112.7	R185 D186 L293 Q318 Y348	R185-E295 WeakPolarHBondContact CG-OE1 3.38Å; D186-E295 WeakPolarHBondContact CB-OE1 3.32Å; D186-E295 PolarHBondContact N-OE1 2.95Å; L293-E295 PolarHBondContact O-N 3.38Å; E295-Q318 PolarHBondContact O-OE1 2.79Å; E295-Y348 PolarHBondContact OE2-OH 3.37Å
296	F	95.8	Very high	97.3	Very high	51 Å²	51	19.5 Å²	19.5	22%	0.224	10%	0.102	C	C	.	.			trans	-128.3	57.2	-173.6	-54.6	-63	0	0	0	112.8	L293 T294 R298 K299 T300 K352 F355 Q356	L293-F296 HydrophobicContact CB-CD2 3.83Å; L293-F296 HydrophobicContact CD1-CD2 3.81Å; L293-F296 HydrophobicContact CD1-CE2 3.99Å; L293-F296 HydrophobicContact CG-CD2 4.42Å; L293-F296 PolarHBondContact O-N 2.91Å; T294-F296 VanDerWaalsContact C-N 3.26Å; T294-F296 PolarHBondContact O-N 3.06Å; F296-R298 PolarHBondContact O-N 2.81Å; F296-K299 HydrophobicContact CB-CB 4.03Å; F296-K299 HydrophobicContact CB-CD 4.25Å; F296-K299 HydrophobicContact CB-CG 4.38Å; F296-K299 HydrophobicContact CD1-CD 4.43Å; F296-K299 HydrophobicContact CG-CD 4.42Å; F296-K299 PolarHBondContact O-N 2.9Å; F296-K299 VanDerWaalsContact O-N 3.1Å; F296-T300 WeakPolarHBondContact O-CB 3.31Å; F296-T300 PolarHBondContact O-N 3.3Å; F296-T300 PolarHBondContact O-OG1 3.08Å; F296-K352 HydrophobicContact CE2-CG 4.38Å; F296-F355 HydrophobicContact CB-CE1 3.84Å; F296-F355 HydrophobicContact CB-CZ 4.25Å; F296-F355 HydrophobicContact CD2-CD1 4.23Å; F296-F355 AromaticContact CD2-CE1 3.97Å; F296-F355 HydrophobicContact CD2-CE1 3.97Å; F296-F355 HydrophobicContact CG-CE1 4.2Å; F296-Q356 VanDerWaalsContact CZ-NE2 3.28Å
297	Q	96.2	Very high	97.3	Very high	17 Å²	17	16.3 Å²	16.3	8%	0.079	9%	0.091	C	C	.	.	H	α-helix	trans	-53.4	-44.7	-172.6	-69.2	-63	-47.9	0	0	114.1	T294 T300 Q301 F316	T294-Q297 PolarHBondContact O-NE2 3.43Å; Q297-T300 WeakPolarHBondContact O-CB 3.39Å; Q297-T300 PolarHBondContact O-N 3.41Å; Q297-Q301 PolarHBondContact O-N 2.85Å; Q297-F316 HydrophobicContact CB-CB 4.03Å; Q297-F316 WeakPolarHBondContact O-CD2 3.45Å
298	R	95.9	Very high	97.3	Very high	48 Å²	48	13.8 Å²	13.8	18%	0.181	6%	0.064	C	C	.	.	H	α-helix	trans	-70.6	-36.2	178.7	-68.3	-70.7	-72.5	164.9	-15.7	113.2	L56 F57 P58 F296 Q301 Y302 F316	L56-R298 PolarHBondContact O-NH2 3.48Å; F57-R298 WeakPolarHBondContact CD1-O 3.47Å; P58-R298 HydrophobicContact CG-CB 4.11Å; F296-R298 PolarHBondContact O-N 2.81Å; R298-Q301 PolarHBondContact O-N 3.36Å; R298-Y302 PolarHBondContact O-N 2.99Å; R298-F316 WeakPolarHBondContact CD-O 3.48Å
299	K	96.7	Very high	97.1	Very high	19 Å²	19	20.4 Å²	20.4	8%	0.083	10%	0.099	C	C	.	.	H	α-helix	trans	-69.5	-37.7	174.4	-63.1	-175.6	172.6	172.9	0	111	F296 Y302 L303 F355 Y359	F296-K299 HydrophobicContact CB-CB 4.03Å; F296-K299 HydrophobicContact CB-CD 4.25Å; F296-K299 HydrophobicContact CB-CG 4.38Å; F296-K299 HydrophobicContact CD1-CD 4.43Å; F296-K299 HydrophobicContact CG-CD 4.42Å; F296-K299 PolarHBondContact O-N 2.9Å; F296-K299 VanDerWaalsContact O-N 3.1Å; K299-Y302 WeakPolarHBondContact O-CB 3.35Å; K299-Y302 PolarHBondContact O-N 2.87Å; K299-L303 PolarHBondContact O-N 3.46Å; K299-F355 HydrophobicContact CB-CE1 3.73Å; K299-F355 HydrophobicContact CB-CZ 3.77Å; K299-F355 HydrophobicContact CD-CE1 4.29Å; K299-Y359 HydrophobicContact CB-CD2 3.68Å; K299-Y359 HydrophobicContact CB-CE2 3.8Å; K299-Y359 HydrophobicContact CB-CG 4.31Å; K299-Y359 HydrophobicContact CD-CD1 3.99Å; K299-Y359 HydrophobicContact CD-CD2 4.2Å; K299-Y359 HydrophobicContact CD-CE1 4.17Å; K299-Y359 HydrophobicContact CD-CE2 4.39Å; K299-Y359 HydrophobicContact CD-CG 4.03Å; K299-Y359 HydrophobicContact CG-CD1 4.3Å; K299-Y359 HydrophobicContact CG-CD2 3.82Å; K299-Y359 HydrophobicContact CG-CE1 4.14Å; K299-Y359 HydrophobicContact CG-CE2 3.67Å; K299-Y359 HydrophobicContact CG-CG 4.17Å
300	T	98	Very high	97	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.3	-48.3	173.1	-72.8	0	0	0	0	110.2	F102 L183 F290 G292 L293 F296 Q297 F304 F316	F102-T300 HydrophobicContact CD2-CG2 4.49Å; F102-T300 HydrophobicContact CE2-CG2 4.32Å; L183-T300 HydrophobicContact CD2-CG2 4.02Å; F290-T300 HydrophobicContact CZ-CG2 3.93Å; F290-T300 VanDerWaalsContact CZ-O 3.31Å; F290-T300 WeakPolarHBondContact CZ-O 3.31Å; G292-T300 WeakPolarHBondContact CA-OG1 3.38Å; L293-T300 PolarHBondContact N-OG1 2.98Å; L293-T300 VanDerWaalsContact N-OG1 3.09Å; L293-T300 PolarHBondContact O-OG1 3.46Å; L293-T300 VanDerWaalsContact O-OG1 3.11Å; F296-T300 WeakPolarHBondContact O-CB 3.31Å; F296-T300 PolarHBondContact O-N 3.3Å; F296-T300 PolarHBondContact O-OG1 3.08Å; Q297-T300 WeakPolarHBondContact O-CB 3.39Å; Q297-T300 PolarHBondContact O-N 3.41Å; T300-F304 WeakPolarHBondContact O-CB 3.21Å; T300-F304 PolarHBondContact O-N 3.06Å; T300-F316 HydrophobicContact CG2-CE2 4.21Å
301	Q	97.7	Very high	96.9	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-56.5	-52.8	173.3	-174	-172.4	-19.1	0	0	111.6	F57 Q297 R298 L303 F304 E305 F312 F316	F57-Q301 HydrophobicContact CE1-CB 4.35Å; F57-Q301 HydrophobicContact CE1-CG 4.27Å; Q297-Q301 PolarHBondContact O-N 2.85Å; R298-Q301 PolarHBondContact O-N 3.36Å; Q301-L303 PolarHBondContact O-N 3.4Å; Q301-F304 PolarHBondContact O-N 2.96Å; Q301-E305 HydrophobicContact CG-CG 4.39Å; Q301-E305 PolarHBondContact NE2-OE1 3.48Å; Q301-E305 WeakPolarHBondContact O-CG 3.25Å; Q301-E305 PolarHBondContact O-N 3.4Å; Q301-F312 HydrophobicContact CG-CB 4.47Å; Q301-F312 HydrophobicContact CG-CD2 3.49Å; Q301-F312 VanDerWaalsContact CG-CD2 3.49Å; Q301-F312 HydrophobicContact CG-CE2 4.05Å; Q301-F312 HydrophobicContact CG-CG 4.29Å; Q301-F316 HydrophobicContact CB-CB 4.29Å; Q301-F316 HydrophobicContact CB-CD1 4.13Å; Q301-F316 HydrophobicContact CB-CD2 3.82Å; Q301-F316 HydrophobicContact CB-CE1 4.41Å; Q301-F316 HydrophobicContact CB-CE2 4.12Å; Q301-F316 HydrophobicContact CB-CG 3.82Å; Q301-F316 HydrophobicContact CB-CZ 4.42Å; Q301-F316 HydrophobicContact CG-CD1 4.01Å; Q301-F316 HydrophobicContact CG-CE1 4.14Å; Q301-F316 HydrophobicContact CG-CG 4.22Å; Q301-F316 HydrophobicContact CG-CZ 4.47Å
302	Y	97.2	Very high	96.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-53.7	-54.2	-178.8	176	-94.3	0	0	0	111.8	F57 R298 K299 F304 E305 R306 Y359 K362 R363 E366	F57-Y302 HydrophobicContact CB-CD2 4.06Å; F57-Y302 HydrophobicContact CD1-CD2 4.05Å; F57-Y302 HydrophobicContact CD1-CG 4.28Å; F57-Y302 AromaticContact CD2-CD2 3.58Å; F57-Y302 HydrophobicContact CD2-CD2 3.58Å; F57-Y302 HydrophobicContact CD2-CE2 4.28Å; F57-Y302 HydrophobicContact CE1-CD2 4.35Å; F57-Y302 AromaticContact CE2-CD2 3.94Å; F57-Y302 HydrophobicContact CE2-CD2 3.94Å; F57-Y302 AromaticContact CG-CD2 3.62Å; F57-Y302 HydrophobicContact CG-CD2 3.62Å; F57-Y302 HydrophobicContact CG-CG 4.23Å; F57-Y302 HydrophobicContact CZ-CD2 4.3Å; R298-Y302 PolarHBondContact O-N 2.99Å; K299-Y302 WeakPolarHBondContact O-CB 3.35Å; K299-Y302 PolarHBondContact O-N 2.87Å; Y302-F304 VanDerWaalsContact C-N 3.35Å; Y302-F304 PolarHBondContact O-N 3.37Å; Y302-E305 PolarHBondContact O-N 3.26Å; Y302-R306 HydrophobicContact CE1-CG 4.49Å; Y302-R306 VanDerWaalsContact CE2-NE 3.29Å; Y302-R306 WeakPolarHBondContact O-CD 3.47Å; Y302-R306 PolarHBondContact O-N 3.23Å; Y302-R306 VanDerWaalsContact O-N 3.1Å; Y302-Y359 AromaticContact CD1-CD2 3.6Å; Y302-Y359 HydrophobicContact CD1-CD2 3.6Å; Y302-Y359 AromaticContact CD1-CE2 3.32Å; Y302-Y359 HydrophobicContact CD1-CE2 3.32Å; Y302-Y359 HydrophobicContact CD2-CE2 4.48Å; Y302-Y359 HydrophobicContact CE1-CD2 4.14Å; Y302-Y359 AromaticContact CE1-CE2 3.94Å; Y302-Y359 HydrophobicContact CE1-CE2 3.94Å; Y302-Y359 HydrophobicContact CG-CD2 4.32Å; Y302-Y359 AromaticContact CG-CE2 3.64Å; Y302-Y359 HydrophobicContact CG-CE2 3.64Å; Y302-K362 HydrophobicContact CE1-CB 4.06Å; Y302-K362 HydrophobicContact CE1-CG 3.88Å; Y302-K362 PolarHBondContact OH-O 3.38Å; Y302-R363 HydrophobicContact CE1-CG 4Å; Y302-R363 VanDerWaalsContact CZ-CD 3.42Å; Y302-R363 WeakPolarHBondContact OH-CA 3.14Å; Y302-R363 VanDerWaalsContact OH-CD 3.22Å; Y302-R363 WeakPolarHBondContact OH-CD 3.1Å; Y302-R363 PolarHBondContact OH-N 3.4Å; Y302-E366 PolarHBondContact OH-OE1 3.47Å; Y302-E366 PolarHBondContact OH-OE2 2.94Å
303	L	97.7	Very high	96.7	Very high	11 Å²	11	29 Å²	29	6%	0.058	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-41	-177.7	-78.8	177.3	0	0	0	111.7	F290 K299 Q301 E305 R306 T307 F355 R358 Y359 K362	F290-L303 HydrophobicContact CD2-CB 4.12Å; F290-L303 HydrophobicContact CE2-CB 3.61Å; K299-L303 PolarHBondContact O-N 3.46Å; Q301-L303 PolarHBondContact O-N 3.4Å; L303-E305 PolarHBondContact O-N 2.67Å; L303-R306 PolarHBondContact O-N 2.72Å; L303-T307 WeakPolarHBondContact O-CB 3.08Å; L303-T307 PolarHBondContact O-N 3.09Å; L303-T307 PolarHBondContact O-OG1 3.45Å; L303-F355 HydrophobicContact CD1-CD2 3.84Å; L303-F355 HydrophobicContact CD1-CE2 3.61Å; L303-F355 HydrophobicContact CD1-CG 4.43Å; L303-F355 HydrophobicContact CD1-CZ 4.03Å; L303-R358 HydrophobicContact CD1-CB 4.15Å; L303-R358 HydrophobicContact CD2-CB 4.27Å; L303-Y359 HydrophobicContact CG-CD2 4.18Å; L303-K362 HydrophobicContact CD2-CB 4.37Å
304	F	98	Very high	96.6	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-49.9	176.3	-179.2	-82.9	0	0	0	111.8	I89 F102 L106 I181 F290 T300 Q301 Y302 R306 T307 F308 L310 F312	I89-F304 HydrophobicContact CD1-CZ 4.32Å; F102-F304 HydrophobicContact CE2-CD2 4.39Å; F102-F304 AromaticContact CZ-CD2 3.9Å; F102-F304 HydrophobicContact CZ-CD2 3.9Å; F102-F304 HydrophobicContact CZ-CE2 4.19Å; L106-F304 HydrophobicContact CD2-CD2 4.48Å; L106-F304 HydrophobicContact CD2-CE1 4.33Å; L106-F304 HydrophobicContact CD2-CE2 3.56Å; L106-F304 HydrophobicContact CD2-CZ 3.47Å; L106-F304 VanDerWaalsContact CD2-CZ 3.47Å; I181-F304 HydrophobicContact CD1-CE2 3.94Å; F290-F304 HydrophobicContact CD1-CB 4.41Å; F290-F304 AromaticContact CD1-CD2 3.75Å; F290-F304 HydrophobicContact CD1-CD2 3.75Å; F290-F304 HydrophobicContact CD2-CB 4.27Å; F290-F304 HydrophobicContact CE1-CB 4.04Å; F290-F304 AromaticContact CE1-CD2 3.85Å; F290-F304 HydrophobicContact CE1-CD2 3.85Å; F290-F304 HydrophobicContact CE1-CG 4.46Å; F290-F304 HydrophobicContact CE2-CB 3.89Å; F290-F304 VanDerWaalsContact CE2-N 3.26Å; F290-F304 HydrophobicContact CG-CD2 4.25Å; F290-F304 HydrophobicContact CZ-CB 3.75Å; F290-F304 HydrophobicContact CZ-CD2 4.43Å; T300-F304 WeakPolarHBondContact O-CB 3.21Å; T300-F304 PolarHBondContact O-N 3.06Å; Q301-F304 PolarHBondContact O-N 2.96Å; Y302-F304 VanDerWaalsContact C-N 3.35Å; Y302-F304 PolarHBondContact O-N 3.37Å; F304-R306 VanDerWaalsContact C-N 3.27Å; F304-R306 PolarHBondContact O-N 3.46Å; F304-T307 PolarHBondContact O-N 2.9Å; F304-F308 HydrophobicContact CD1-CD2 4.34Å; F304-F308 AromaticContact CD2-CD2 3.82Å; F304-F308 HydrophobicContact CD2-CD2 3.82Å; F304-F308 AromaticContact CD2-CE2 3.86Å; F304-F308 HydrophobicContact CD2-CE2 3.86Å; F304-F308 HydrophobicContact CE1-CD2 4.16Å; F304-F308 AromaticContact CE2-CD2 3.6Å; F304-F308 HydrophobicContact CE2-CD2 3.6Å; F304-F308 AromaticContact CE2-CE2 3.64Å; F304-F308 HydrophobicContact CE2-CE2 3.64Å; F304-F308 HydrophobicContact CG-CD2 4.19Å; F304-F308 AromaticContact CZ-CD2 3.78Å; F304-F308 HydrophobicContact CZ-CD2 3.78Å; F304-F308 HydrophobicContact CZ-CE2 4.24Å; F304-F308 PolarHBondContact O-N 2.81Å; F304-F308 VanDerWaalsContact O-N 3.11Å; F304-L310 HydrophobicContact CE1-CB 4.38Å; F304-L310 HydrophobicContact CE1-CD1 4.16Å; F304-L310 HydrophobicContact CZ-CD1 4.45Å; F304-F312 HydrophobicContact CB-CE2 4.12Å; F304-F312 HydrophobicContact CD1-CD2 4.41Å; F304-F312 AromaticContact CD1-CE2 3.3Å; F304-F312 HydrophobicContact CD1-CE2 3.3Å; F304-F312 AromaticContact CD1-CZ 3.41Å; F304-F312 HydrophobicContact CD1-CZ 3.41Å; F304-F312 VanDerWaalsContact CD1-CZ 3.41Å; F304-F312 AromaticContact CE1-CE2 3.95Å; F304-F312 HydrophobicContact CE1-CE2 3.95Å; F304-F312 AromaticContact CE1-CZ 3.64Å; F304-F312 HydrophobicContact CE1-CZ 3.64Å; F304-F312 AromaticContact CG-CE2 3.89Å; F304-F312 HydrophobicContact CG-CE2 3.89Å; F304-F312 AromaticContact CG-CZ 3.98Å; F304-F312 HydrophobicContact CG-CZ 3.98Å; F304-F312 HydrophobicContact CZ-CZ 4.37Å
305	E	97	Very high	96.5	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.028	19%	0.189	C	C	.	.	H	α-helix	trans	-56.9	-43.7	-179.3	-73.5	-174.9	176.2	0	0	111.5	Q301 Y302 L303 N309 L310 K311 F312	Q301-E305 HydrophobicContact CG-CG 4.39Å; Q301-E305 PolarHBondContact NE2-OE1 3.48Å; Q301-E305 WeakPolarHBondContact O-CG 3.25Å; Q301-E305 PolarHBondContact O-N 3.4Å; Y302-E305 PolarHBondContact O-N 3.26Å; L303-E305 PolarHBondContact O-N 2.67Å; E305-N309 CarbonylContact O-C 3.59Å; E305-N309 WeakPolarHBondContact O-CA 3.43Å; E305-N309 PolarHBondContact O-N 3.44Å; E305-L310 CarbonylContact C-O 3.4Å; E305-L310 WeakPolarHBondContact CA-O 3.4Å; E305-L310 WeakPolarHBondContact CB-O 3.49Å; E305-L310 VanDerWaalsContact CG-O 3.25Å; E305-L310 WeakPolarHBondContact CG-O 3.3Å; E305-L310 PolarHBondContact O-N 3.15Å; E305-K311 HydrophobicContact CG-CD 4.42Å; E305-K311 WeakPolarHBondContact OE2-CD 3.47Å; E305-K311 IonicContact OE2-NZ 3.1Å; E305-F312 HydrophobicContact CG-CD2 3.69Å; E305-F312 HydrophobicContact CG-CE2 4.14Å; E305-F312 PolarHBondContact OE1-N 3.29Å
306	R	96.2	Very high	96.6	Very high	29 Å²	29	38.1 Å²	38.1	11%	0.109	18%	0.178	C	C	.	.	H	α-helix	trans	-74	-29.3	-179.7	-86.9	71.1	-178	159.2	-0.3	113.4	D53 Y302 L303 F304 K362 E366	D53-R306 IonicContact OD2-CZ 3.57Å; D53-R306 IonicContact OD2-NH1 3.54Å; D53-R306 PolarHBondContact OD2-NH1 3.46Å; D53-R306 IonicContact OD2-NH2 3.05Å; D53-R306 PolarHBondContact OD2-NH2 3.08Å; Y302-R306 HydrophobicContact CE1-CG 4.49Å; Y302-R306 VanDerWaalsContact CE2-NE 3.29Å; Y302-R306 WeakPolarHBondContact O-CD 3.47Å; Y302-R306 PolarHBondContact O-N 3.23Å; Y302-R306 VanDerWaalsContact O-N 3.1Å; L303-R306 PolarHBondContact O-N 2.72Å; F304-R306 VanDerWaalsContact C-N 3.27Å; F304-R306 PolarHBondContact O-N 3.46Å; R306-K362 HydrophobicContact CB-CD 4.35Å; R306-K362 HydrophobicContact CB-CG 4.08Å; R306-K362 HydrophobicContact CG-CD 4.3Å; R306-K362 VanDerWaalsContact CG-CE 3.49Å; R306-K362 HydrophobicContact CG-CG 3.92Å; R306-E366 WeakPolarHBondContact CD-OE1 3.23Å; R306-E366 WeakPolarHBondContact CG-OE1 3.39Å; R306-E366 IonicContact CZ-OE1 3.93Å; R306-E366 IonicContact CZ-OE2 2.73Å; R306-E366 IonicContact NE-OE1 3.03Å; R306-E366 PolarHBondContact NE-OE1 3.44Å; R306-E366 IonicContact NE-OE2 3.94Å; R306-E366 PolarHBondContact NE-OE2 3.28Å; R306-E366 IonicContact NH2-OE1 2.75Å; R306-E366 IonicContact NH2-OE2 3.51Å; R306-E366 PolarHBondContact NH2-OE2 3.03Å; R306-E366 VanDerWaalsContact NH2-OE2 3.1Å
307	T	97.4	Very high	96.5	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.049	20%	0.195	C	C	.	.	H	α-helix	trans	-73.1	-43.9	178.9	-69.8	0	0	0	0	112.4	R77 L79 A289 F290 L303 F304	R77-T307 HydrophobicContact CB-CG2 4.26Å; R77-T307 WeakPolarHBondContact O-CA 3.49Å; R77-T307 WeakPolarHBondContact O-CB 3.47Å; R77-T307 WeakPolarHBondContact O-CG2 3.41Å; R77-T307 PolarHBondContact O-OG1 3.16Å; L79-T307 WeakPolarHBondContact CB-O 3.36Å; L79-T307 HydrophobicContact CD1-CG2 3.85Å; L79-T307 HydrophobicContact CG-CG2 4.2Å; L79-T307 PolarHBondContact N-O 3.02Å; A289-T307 WeakPolarHBondContact O-CG2 3.35Å; F290-T307 HydrophobicContact CB-CG2 4.14Å; L303-T307 WeakPolarHBondContact O-CB 3.08Å; L303-T307 PolarHBondContact O-N 3.09Å; L303-T307 PolarHBondContact O-OG1 3.45Å; F304-T307 PolarHBondContact O-N 2.9Å
308	F	97.2	Very high	96.3	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	21%	0.208	C	C	.	.	H	α-helix	trans	-100	-1	-177.1	-64.5	-74.9	0	0	0	113.8	L79 F81 I89 Y179 I181 A289 F290 F304 L310	L79-F308 HydrophobicContact CD1-CE1 4.18Å; F81-F308 HydrophobicContact CB-CB 4.36Å; F81-F308 HydrophobicContact CB-CD1 3.94Å; F81-F308 HydrophobicContact CD2-CD1 4.17Å; F81-F308 AromaticContact CG-CD1 3.96Å; F81-F308 HydrophobicContact CG-CD1 3.96Å; I89-F308 HydrophobicContact CD1-CD1 3.75Å; I89-F308 HydrophobicContact CD1-CD2 4.31Å; I89-F308 HydrophobicContact CD1-CE1 3.82Å; I89-F308 HydrophobicContact CD1-CE2 4.36Å; I89-F308 HydrophobicContact CD1-CG 4.02Å; I89-F308 HydrophobicContact CD1-CZ 4.13Å; I89-F308 HydrophobicContact CG1-CD1 4.12Å; I89-F308 HydrophobicContact CG1-CE1 3.76Å; I89-F308 HydrophobicContact CG1-CZ 4.14Å; Y179-F308 HydrophobicContact CD2-CE1 4.35Å; Y179-F308 HydrophobicContact CG-CE1 4.08Å; I181-F308 HydrophobicContact CG2-CE2 3.87Å; I181-F308 HydrophobicContact CG2-CZ 3.61Å; A289-F308 HydrophobicContact CB-CE1 4.21Å; A289-F308 HydrophobicContact CB-CZ 3.79Å; F290-F308 HydrophobicContact CB-CE2 3.8Å; F290-F308 HydrophobicContact CB-CZ 4.32Å; F290-F308 HydrophobicContact CG-CE2 4.44Å; F304-F308 HydrophobicContact CD1-CD2 4.34Å; F304-F308 AromaticContact CD2-CD2 3.82Å; F304-F308 HydrophobicContact CD2-CD2 3.82Å; F304-F308 AromaticContact CD2-CE2 3.86Å; F304-F308 HydrophobicContact CD2-CE2 3.86Å; F304-F308 HydrophobicContact CE1-CD2 4.16Å; F304-F308 AromaticContact CE2-CD2 3.6Å; F304-F308 HydrophobicContact CE2-CD2 3.6Å; F304-F308 AromaticContact CE2-CE2 3.64Å; F304-F308 HydrophobicContact CE2-CE2 3.64Å; F304-F308 HydrophobicContact CG-CD2 4.19Å; F304-F308 AromaticContact CZ-CD2 3.78Å; F304-F308 HydrophobicContact CZ-CD2 3.78Å; F304-F308 HydrophobicContact CZ-CE2 4.24Å; F304-F308 PolarHBondContact O-N 2.81Å; F304-F308 VanDerWaalsContact O-N 3.11Å; F308-L310 HydrophobicContact CB-CB 4.42Å; F308-L310 HydrophobicContact CB-CD1 3.81Å; F308-L310 HydrophobicContact CB-CG 3.91Å; F308-L310 PolarHBondContact O-N 2.83Å
309	N	95.3	Very high	95.8	Very high	141 Å²	141	47.9 Å²	47.9	75%	0.754	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	42.5	-170.1	-166.2	39.8	0	0	0	112.4	E305	E305-N309 CarbonylContact O-C 3.59Å; E305-N309 WeakPolarHBondContact O-CA 3.43Å; E305-N309 PolarHBondContact O-N 3.44Å
310	L	95.2	Very high	94.8	Very high	24 Å²	24	53 Å²	53	13%	0.126	25%	0.252	C	S	.	.			trans	-112.8	162.9	176.7	-65.5	174.7	0	0	0	109.3	F81 M83 V110 L112 F304 E305 F308	F81-L310 HydrophobicContact CD1-CD1 4.22Å; F81-L310 HydrophobicContact CE1-CD1 4.22Å; M83-L310 HydrophobicContact CE-CD2 4.46Å; V110-L310 HydrophobicContact CG1-CB 4.14Å; V110-L310 HydrophobicContact CG1-CD1 4.19Å; V110-L310 HydrophobicContact CG1-CD2 4.47Å; L112-L310 HydrophobicContact CD2-CD2 4.37Å; F304-L310 HydrophobicContact CE1-CB 4.38Å; F304-L310 HydrophobicContact CE1-CD1 4.16Å; F304-L310 HydrophobicContact CZ-CD1 4.45Å; E305-L310 CarbonylContact C-O 3.4Å; E305-L310 WeakPolarHBondContact CA-O 3.4Å; E305-L310 WeakPolarHBondContact CB-O 3.49Å; E305-L310 VanDerWaalsContact CG-O 3.25Å; E305-L310 WeakPolarHBondContact CG-O 3.3Å; E305-L310 PolarHBondContact O-N 3.15Å; F308-L310 HydrophobicContact CB-CB 4.42Å; F308-L310 HydrophobicContact CB-CD1 3.81Å; F308-L310 HydrophobicContact CB-CG 3.91Å; F308-L310 PolarHBondContact O-N 2.83Å
311	K	96	Very high	93.7	Very high	72 Å²	72	58.5 Å²	58.5	31%	0.313	29%	0.29	S	S	.	.			trans	-127.8	137.4	176.2	-67.9	-67.3	-176.2	172.7	0	110.4	D53 R111 E305	D53-K311 IonicContact OD2-NZ 3.89Å; D53-K311 PolarHBondContact OD2-NZ 3.15Å; R111-K311 WeakPolarHBondContact CB-O 3.38Å; R111-K311 PolarHBondContact N-O 3.46Å; E305-K311 HydrophobicContact CG-CD 4.42Å; E305-K311 WeakPolarHBondContact OE2-CD 3.47Å; E305-K311 IonicContact OE2-NZ 3.1Å
312	F	97.2	Very high	92.7	Very high	11 Å²	11	60.1 Å²	60.1	5%	0.048	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-81.5	148.1	168.6	-67.9	-82.1	0	0	0	110.7	H105 N109 V110 Q301 F304 E305 F316	H105-F312 HydrophobicContact CB-CD1 4.27Å; H105-F312 HydrophobicContact CB-CE1 3.84Å; N109-F312 HydrophobicContact CB-CD1 4.07Å; N109-F312 CarbonylContact O-C 3.52Å; N109-F312 WeakPolarHBondContact O-CA 3.34Å; N109-F312 WeakPolarHBondContact O-CB 3.25Å; N109-F312 WeakPolarHBondContact O-CD1 3.33Å; V110-F312 HydrophobicContact CG2-CD1 3.96Å; V110-F312 HydrophobicContact CG2-CE1 3.59Å; V110-F312 HydrophobicContact CG2-CZ 4.37Å; Q301-F312 HydrophobicContact CG-CB 4.47Å; Q301-F312 HydrophobicContact CG-CD2 3.49Å; Q301-F312 VanDerWaalsContact CG-CD2 3.49Å; Q301-F312 HydrophobicContact CG-CE2 4.05Å; Q301-F312 HydrophobicContact CG-CG 4.29Å; F304-F312 HydrophobicContact CB-CE2 4.12Å; F304-F312 HydrophobicContact CD1-CD2 4.41Å; F304-F312 AromaticContact CD1-CE2 3.3Å; F304-F312 HydrophobicContact CD1-CE2 3.3Å; F304-F312 AromaticContact CD1-CZ 3.41Å; F304-F312 HydrophobicContact CD1-CZ 3.41Å; F304-F312 VanDerWaalsContact CD1-CZ 3.41Å; F304-F312 AromaticContact CE1-CE2 3.95Å; F304-F312 HydrophobicContact CE1-CE2 3.95Å; F304-F312 AromaticContact CE1-CZ 3.64Å; F304-F312 HydrophobicContact CE1-CZ 3.64Å; F304-F312 AromaticContact CG-CE2 3.89Å; F304-F312 HydrophobicContact CG-CE2 3.89Å; F304-F312 AromaticContact CG-CZ 3.98Å; F304-F312 HydrophobicContact CG-CZ 3.98Å; F304-F312 HydrophobicContact CZ-CZ 4.37Å; E305-F312 HydrophobicContact CG-CD2 3.69Å; E305-F312 HydrophobicContact CG-CE2 4.14Å; E305-F312 PolarHBondContact OE1-N 3.29Å; F312-F316 HydrophobicContact CB-CE1 4.39Å; F312-F316 AromaticContact CD1-CE1 3.63Å; F312-F316 HydrophobicContact CD1-CE1 3.63Å; F312-F316 HydrophobicContact CD1-CZ 4.1Å; F312-F316 AromaticContact CD2-CE1 3.82Å; F312-F316 HydrophobicContact CD2-CE1 3.82Å; F312-F316 HydrophobicContact CD2-CZ 4.07Å; F312-F316 AromaticContact CE1-CE1 3.74Å; F312-F316 HydrophobicContact CE1-CE1 3.74Å; F312-F316 AromaticContact CE1-CZ 3.72Å; F312-F316 HydrophobicContact CE1-CZ 3.72Å; F312-F316 AromaticContact CE2-CE1 3.89Å; F312-F316 HydrophobicContact CE2-CE1 3.89Å; F312-F316 AromaticContact CE2-CZ 3.64Å; F312-F316 HydrophobicContact CE2-CZ 3.64Å; F312-F316 AromaticContact CG-CE1 3.67Å; F312-F316 HydrophobicContact CG-CE1 3.67Å; F312-F316 HydrophobicContact CG-CZ 4.27Å; F312-F316 AromaticContact CZ-CE1 3.87Å; F312-F316 HydrophobicContact CZ-CE1 3.87Å; F312-F316 AromaticContact CZ-CZ 3.47Å; F312-F316 HydrophobicContact CZ-CZ 3.47Å; F312-F316 VanDerWaalsContact CZ-CZ 3.47Å
313	I	96.7	Very high	91.6	Very high	92 Å²	92	67.9 Å²	67.9	47%	0.472	33%	0.33	S	S	.	.	S	Bend	trans	-73.2	-45.7	179.5	-58.1	168	0	0	0	109.8	N109 R111	N109-I313 PolarHBondContact O-N 2.96Å; R111-I313 HydrophobicContact CB-CG1 4.07Å
314	R	95.1	Very high	90.4	Very high	186 Å²	186	67.6 Å²	67.6	70%	0.702	33%	0.329	S	S	*	.	S	Bend	trans	-115.1	146.1	179.4	-60.5	-178.2	-177.7	172.6	1	111.5	N109	N109-R314 PolarHBondContact ND2-O 3.08Å; N109-R314 WeakPolarHBondContact OD1-CB 3.2Å; N109-R314 PolarHBondContact OD1-N 3.39Å
315	P	95.5	Very high	89.2	Confident	70 Å²	70	70.6 Å²	70.6	46%	0.455	36%	0.36	S	S	.	.			trans	-63.4	143.8	174.9	29	-36.7	0	0	0	111.6
316	F	95.9	Very high	88.2	Confident	4 Å²	4	73.4 Å²	73.4	2%	0.018	39%	0.391	C	S	.	.			trans	-69.4	140.6	171.1	-72.5	15.8	0	0	0	109.9	F102 H105 Q297 R298 T300 Q301 F312	F102-F316 AromaticContact CD2-CE2 3.81Å; F102-F316 HydrophobicContact CD2-CE2 3.81Å; F102-F316 HydrophobicContact CD2-CZ 4.1Å; F102-F316 HydrophobicContact CE2-CE2 4.08Å; F102-F316 HydrophobicContact CE2-CZ 4.24Å; H105-F316 HydrophobicContact CB-CE1 3.65Å; H105-F316 HydrophobicContact CB-CZ 3.67Å; H105-F316 AromaticContact CD2-CD1 3.63Å; H105-F316 AromaticContact CD2-CE1 3.41Å; H105-F316 VanDerWaalsContact CD2-CE1 3.41Å; H105-F316 WeakPolarHBondContact CD2-CE1 3.25Å; H105-F316 AromaticContact CD2-CE2 3.95Å; H105-F316 AromaticContact CD2-CZ 3.57Å; H105-F316 AromaticContact CE1-CD1 3.67Å; H105-F316 AromaticContact CE1-CE1 3.89Å; H105-F316 AromaticContact CG-CD1 3.87Å; H105-F316 AromaticContact CG-CE1 3.31Å; H105-F316 AromaticContact CG-CZ 3.66Å; H105-F316 AromaticContact ND1-CD1 3.9Å; H105-F316 AromaticContact ND1-CE1 3.64Å; H105-F316 AromaticContact NE2-CD1 3.53Å; H105-F316 AromaticContact NE2-CE1 3.8Å; H105-F316 AromaticContact NE2-CG 3.85Å; Q297-F316 HydrophobicContact CB-CB 4.03Å; Q297-F316 WeakPolarHBondContact O-CD2 3.45Å; R298-F316 WeakPolarHBondContact CD-O 3.48Å; T300-F316 HydrophobicContact CG2-CE2 4.21Å; Q301-F316 HydrophobicContact CB-CB 4.29Å; Q301-F316 HydrophobicContact CB-CD1 4.13Å; Q301-F316 HydrophobicContact CB-CD2 3.82Å; Q301-F316 HydrophobicContact CB-CE1 4.41Å; Q301-F316 HydrophobicContact CB-CE2 4.12Å; Q301-F316 HydrophobicContact CB-CG 3.82Å; Q301-F316 HydrophobicContact CB-CZ 4.42Å; Q301-F316 HydrophobicContact CG-CD1 4.01Å; Q301-F316 HydrophobicContact CG-CE1 4.14Å; Q301-F316 HydrophobicContact CG-CG 4.22Å; Q301-F316 HydrophobicContact CG-CZ 4.47Å; F312-F316 HydrophobicContact CB-CE1 4.39Å; F312-F316 AromaticContact CD1-CE1 3.63Å; F312-F316 HydrophobicContact CD1-CE1 3.63Å; F312-F316 HydrophobicContact CD1-CZ 4.1Å; F312-F316 AromaticContact CD2-CE1 3.82Å; F312-F316 HydrophobicContact CD2-CE1 3.82Å; F312-F316 HydrophobicContact CD2-CZ 4.07Å; F312-F316 AromaticContact CE1-CE1 3.74Å; F312-F316 HydrophobicContact CE1-CE1 3.74Å; F312-F316 AromaticContact CE1-CZ 3.72Å; F312-F316 HydrophobicContact CE1-CZ 3.72Å; F312-F316 AromaticContact CE2-CE1 3.89Å; F312-F316 HydrophobicContact CE2-CE1 3.89Å; F312-F316 AromaticContact CE2-CZ 3.64Å; F312-F316 HydrophobicContact CE2-CZ 3.64Å; F312-F316 AromaticContact CG-CE1 3.67Å; F312-F316 HydrophobicContact CG-CE1 3.67Å; F312-F316 HydrophobicContact CG-CZ 4.27Å; F312-F316 AromaticContact CZ-CE1 3.87Å; F312-F316 HydrophobicContact CZ-CE1 3.87Å; F312-F316 AromaticContact CZ-CZ 3.47Å; F312-F316 HydrophobicContact CZ-CZ 3.47Å; F312-F316 VanDerWaalsContact CZ-CZ 3.47Å
317	M	93.7	Very high	87.4	Confident	116 Å²	116	73 Å²	73	57%	0.571	39%	0.392	S	S	*	.			trans	-105.1	135.7	-179.8	-67.6	-176.7	-79.7	0	0	110.8	Y319	M317-Y319 HydrophobicContact CB-CD2 4.36Å; M317-Y319 HydrophobicContact CB-CE2 3.7Å; M317-Y319 HydrophobicContact CE-CE2 4.49Å; M317-Y319 WeakPolarHBondContact CE-OH 3.16Å
318	Q	92.1	Very high	86.8	Confident	74 Å²	74	82.1 Å²	82.1	35%	0.346	43%	0.434	S	S	.	.			trans	-85.3	119.8	175.1	-171.2	65.2	42	0	0	109.6	T294 E295 N320	T294-Q318 PolarHBondContact O-NE2 3.02Å; E295-Q318 PolarHBondContact O-OE1 2.79Å; Q318-N320 VanDerWaalsContact CG-OD1 3.27Å; Q318-N320 WeakPolarHBondContact CG-OD1 3.42Å; Q318-N320 PolarHBondContact NE2-OD1 2.66Å
319	Y	85.5	Confident	86.3	Confident	132 Å²	132	83.5 Å²	83.5	52%	0.518	44%	0.443	S	S	.	.			trans	-112.3	97.8	175.8	-65	-80.5	0	0	0	109.5	M317 T322	M317-Y319 HydrophobicContact CB-CD2 4.36Å; M317-Y319 HydrophobicContact CB-CE2 3.7Å; M317-Y319 HydrophobicContact CE-CE2 4.49Å; M317-Y319 WeakPolarHBondContact CE-OH 3.16Å; Y319-T322 VanDerWaalsContact O-CG2 3.25Å; Y319-T322 WeakPolarHBondContact O-CG2 3.36Å
320	N	75.9	Confident	86.2	Confident	125 Å²	125	81.2 Å²	81.2	67%	0.668	43%	0.43	S	S	*	.			trans	-82.1	-27.3	-179.7	-67.7	-17.6	0	0	0	112.4	Q318 T322	Q318-N320 VanDerWaalsContact CG-OD1 3.27Å; Q318-N320 WeakPolarHBondContact CG-OD1 3.42Å; Q318-N320 PolarHBondContact NE2-OD1 2.66Å; N320-T322 PolarHBondContact O-N 3.01Å
321	S	74.7	Confident	86.2	Confident	116 Å²	116	87 Å²	87	81%	0.811	46%	0.457	S	S	*	.			trans	-72.8	72.4	172.6	59.8	0	0	0	0	110.9
322	T	76.1	Confident	86.2	Confident	42 Å²	42	88.7 Å²	88.7	26%	0.258	47%	0.469	S	S	.	.			trans	-95.5	159.7	177.2	73.8	0	0	0	0	110.6	R185 Y319 N320 A324 G325 G326	R185-T322 PolarHBondContact NH2-OG1 3.09Å; Y319-T322 VanDerWaalsContact O-CG2 3.25Å; Y319-T322 WeakPolarHBondContact O-CG2 3.36Å; N320-T322 PolarHBondContact O-N 3.01Å; T322-A324 PolarHBondContact O-N 3.21Å; T322-A324 PolarHBondContact OG1-N 2.9Å; T322-G325 PolarHBondContact O-N 3.47Å; T322-G325 PolarHBondContact OG1-N 3.41Å; T322-G326 PolarHBondContact O-N 2.85Å
323	R	75.5	Confident	86.2	Confident	163 Å²	163	89.5 Å²	89.5	62%	0.615	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.2	173.7	-67.3	179.7	176.2	174.9	-0.7	114	V327	R323-V327 WeakPolarHBondContact O-CG2 3.49Å
324	A	72.4	Confident	86.2	Confident	5 Å²	5	87.9 Å²	87.9	4%	0.041	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-39.4	172.9	0	0	0	0	0	111.7	S189 L192 T322 G326 V327	S189-A324 VanDerWaalsContact O-CB 3.29Å; S189-A324 WeakPolarHBondContact O-CB 3.28Å; L192-A324 HydrophobicContact CB-CB 4.11Å; T322-A324 PolarHBondContact O-N 3.21Å; T322-A324 PolarHBondContact OG1-N 2.9Å; A324-G326 PolarHBondContact O-N 3.21Å; A324-V327 PolarHBondContact O-N 3.36Å; A324-V327 VanDerWaalsContact O-N 3.1Å
325	G	72.1	Confident	86.3	Confident	63 Å²	63	85.1 Å²	85.1	65%	0.649	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.1	178.7	0	0	0	0	0	114.7	T322	T322-G325 PolarHBondContact O-N 3.47Å; T322-G325 PolarHBondContact OG1-N 3.41Å
326	G	75.6	Confident	86.5	Confident	66 Å²	66	87.3 Å²	87.3	68%	0.68	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	8	171	0	0	0	0	0	114.1	T322 A324	T322-G326 PolarHBondContact O-N 2.85Å; A324-G326 PolarHBondContact O-N 3.21Å
327	V	80.5	Confident	86.6	Confident	21 Å²	21	87.1 Å²	87.1	13%	0.127	46%	0.455	C	S	.	.			trans	-94.4	112.9	172.4	-169.3	0	0	0	0	107.4	W195 R196 R323 A324 V329	W195-V327 HydrophobicContact CH2-CG1 4.42Å; W195-V327 HydrophobicContact CZ3-CG1 3.74Å; W195-V327 HydrophobicContact CZ3-CG2 4.09Å; R196-V327 HydrophobicContact CG-CG2 4.16Å; R323-V327 WeakPolarHBondContact O-CG2 3.49Å; A324-V327 PolarHBondContact O-N 3.36Å; A324-V327 VanDerWaalsContact O-N 3.1Å; V327-V329 HydrophobicContact CB-CG2 4.03Å; V327-V329 HydrophobicContact CG1-CG2 3.37Å; V327-V329 PolarHBondContact O-N 2.75Å
328	E	83.7	Confident	86.8	Confident	198 Å²	198	85 Å²	85	93%	0.925	44%	0.444	S	S	*	.			trans	-74.5	119.7	165.8	-66.5	179.9	178.3	0	0	107.7
329	V	87.1	Confident	87.1	Confident	33 Å²	33	87.1 Å²	87.1	20%	0.2	45%	0.453	C	S	.	.			trans	-132.3	130.6	-177.4	-175.7	0	0	0	0	106.6	L192 L235 V327 T333 I334	L192-V329 HydrophobicContact CD1-CG2 4.01Å; L192-V329 HydrophobicContact CD2-CG2 4.06Å; L235-V329 HydrophobicContact CD2-CG2 4.48Å; V327-V329 HydrophobicContact CB-CG2 4.03Å; V327-V329 HydrophobicContact CG1-CG2 3.37Å; V327-V329 PolarHBondContact O-N 2.75Å; V329-T333 HydrophobicContact CG1-CG2 3.33Å; V329-I334 HydrophobicContact CB-CG1 4.28Å; V329-I334 HydrophobicContact CG1-CG1 3.97Å
330	D	93.7	Very high	87.7	Confident	92 Å²	92	82 Å²	82	49%	0.492	44%	0.435	S	S	.	.			trans	-67.9	162.8	175.8	56.9	55.6	0	0	0	112.1	D332 T333 I334	D330-D332 VanDerWaalsContact C-N 3.27Å; D330-D332 PolarHBondContact O-N 3.35Å; D330-D332 PolarHBondContact OD1-N 3.34Å; D330-T333 PolarHBondContact O-N 3.38Å; D330-T333 WeakPolarHBondContact OD1-CB 3.38Å; D330-T333 PolarHBondContact OD1-N 3.4Å; D330-T333 PolarHBondContact OD1-OG1 2.78Å; D330-T333 PolarHBondContact OD2-OG1 3.29Å; D330-I334 WeakPolarHBondContact O-CG1 2.97Å; D330-I334 PolarHBondContact O-N 3.28Å
331	E	95.1	Very high	88.8	Confident	147 Å²	147	76.1 Å²	76.1	69%	0.687	40%	0.403	S	S	*	.	H	α-helix	trans	-62.6	-33.5	-177.7	-65.5	-175.9	174.2	0	0	112.6	I334 R335	E331-I334 PolarHBondContact O-N 3.32Å; E331-R335 WeakPolarHBondContact O-CG 3.5Å; E331-R335 PolarHBondContact O-N 3.07Å
332	D	96.8	Very high	90	Very high	106 Å²	106	74.2 Å²	74.2	57%	0.567	38%	0.384	S	S	*	.	H	α-helix	trans	-64.1	-45.1	177.5	-76.9	-40.3	0	0	0	111.8	D330 I334 R335 R336	D330-D332 VanDerWaalsContact C-N 3.27Å; D330-D332 PolarHBondContact O-N 3.35Å; D330-D332 PolarHBondContact OD1-N 3.34Å; D332-I334 VanDerWaalsContact C-N 3.34Å; D332-R335 PolarHBondContact O-N 3Å; D332-R335 IonicContact OD1-CZ 3.68Å; D332-R335 IonicContact OD1-NE 3.97Å; D332-R335 IonicContact OD1-NH2 3.73Å; D332-R335 PolarHBondContact OD1-NH2 3.18Å; D332-R336 WeakPolarHBondContact O-CB 2.98Å; D332-R336 PolarHBondContact O-N 2.63Å
333	T	96.7	Very high	91	Very high	29 Å²	29	73.3 Å²	73.3	18%	0.178	38%	0.377	C	S	.	.	H	α-helix	trans	-67.9	-37	177.6	-57.4	0	0	0	0	110.7	L235 M239 V329 D330 R336 I337	L235-T333 HydrophobicContact CD2-CG2 3.77Å; L235-T333 HydrophobicContact CG-CG2 4.5Å; M239-T333 HydrophobicContact CE-CG2 4.11Å; M239-T333 HydrophobicContact SD-CG2 3.96Å; V329-T333 HydrophobicContact CG1-CG2 3.33Å; D330-T333 PolarHBondContact O-N 3.38Å; D330-T333 WeakPolarHBondContact OD1-CB 3.38Å; D330-T333 PolarHBondContact OD1-N 3.4Å; D330-T333 PolarHBondContact OD1-OG1 2.78Å; D330-T333 PolarHBondContact OD2-OG1 3.29Å; T333-R336 PolarHBondContact O-N 3.03Å; T333-I337 HydrophobicContact CG2-CD1 4.15Å; T333-I337 VanDerWaalsContact O-CG1 3.27Å; T333-I337 WeakPolarHBondContact O-CG1 3.24Å; T333-I337 PolarHBondContact O-N 3.29Å
334	I	96.8	Very high	92.2	Very high	57 Å²	57	65.5 Å²	65.5	29%	0.292	35%	0.348	S	S	.	.	H	α-helix	trans	-60	-51.6	172.2	-70.9	163.3	0	0	0	110.3	V329 D330 E331 D332 R336 I337 E338	V329-I334 HydrophobicContact CB-CG1 4.28Å; V329-I334 HydrophobicContact CG1-CG1 3.97Å; D330-I334 WeakPolarHBondContact O-CG1 2.97Å; D330-I334 PolarHBondContact O-N 3.28Å; E331-I334 PolarHBondContact O-N 3.32Å; D332-I334 VanDerWaalsContact C-N 3.34Å; I334-R336 VanDerWaalsContact C-N 3.27Å; I334-R336 PolarHBondContact O-N 3.22Å; I334-I337 PolarHBondContact O-N 2.04Å; I334-E338 HydrophobicContact CG2-CG 4.4Å; I334-E338 WeakPolarHBondContact O-CG 3.34Å; I334-E338 PolarHBondContact O-N 3.01Å
335	R	97.9	Very high	93.4	Very high	128 Å²	128	67.7 Å²	67.7	48%	0.483	36%	0.358	S	S	.	.	H	α-helix	trans	-55.2	-44	177.4	-76	-169.1	-75.2	-125.3	6.8	111.7	E331 D332 I337 E338 E339	E331-R335 WeakPolarHBondContact O-CG 3.5Å; E331-R335 PolarHBondContact O-N 3.07Å; D332-R335 PolarHBondContact O-N 3Å; D332-R335 IonicContact OD1-CZ 3.68Å; D332-R335 IonicContact OD1-NE 3.97Å; D332-R335 IonicContact OD1-NH2 3.73Å; D332-R335 PolarHBondContact OD1-NH2 3.18Å; R335-I337 VanDerWaalsContact C-N 3.35Å; R335-I337 PolarHBondContact O-N 2.96Å; R335-E338 WeakPolarHBondContact O-CB 3.27Å; R335-E338 PolarHBondContact O-N 2.95Å; R335-E339 WeakPolarHBondContact O-CG 3.43Å; R335-E339 PolarHBondContact O-N 2.66Å
336	R	98.2	Very high	94.7	Very high	116 Å²	116	68.1 Å²	68.1	44%	0.438	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-38.1	177.9	-175	59.4	179.8	164.4	1.2	112.8	M239 D332 T333 I334 E338 E339 L340	M239-R336 HydrophobicContact CE-CB 3.56Å; M239-R336 HydrophobicContact CE-CG 3.21Å; D332-R336 WeakPolarHBondContact O-CB 2.98Å; D332-R336 PolarHBondContact O-N 2.63Å; T333-R336 PolarHBondContact O-N 3.03Å; I334-R336 VanDerWaalsContact C-N 3.27Å; I334-R336 PolarHBondContact O-N 3.22Å; R336-E338 VanDerWaalsContact C-N 3.35Å; R336-E339 WeakPolarHBondContact CD-OE2 3.4Å; R336-E339 IonicContact CZ-OE2 3.53Å; R336-E339 IonicContact NH1-OE2 2.74Å; R336-E339 PolarHBondContact NH1-OE2 3.32Å; R336-E339 PolarHBondContact O-N 3.04Å; R336-L340 WeakPolarHBondContact O-CG 3.05Å; R336-L340 PolarHBondContact O-N 3.12Å
337	I	98.4	Very high	95.8	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.2	-39.4	174.1	-68.6	166.5	0	0	0	110.8	V188 Y191 L192 M239 T333 I334 R335 L340 N341	V188-I337 HydrophobicContact CB-CG2 4.32Å; V188-I337 HydrophobicContact CG1-CG2 4.22Å; V188-I337 HydrophobicContact CG2-CG2 4.13Å; Y191-I337 HydrophobicContact CD1-CD1 4.3Å; Y191-I337 HydrophobicContact CD1-CG1 4.08Å; Y191-I337 HydrophobicContact CD1-CG2 3.74Å; Y191-I337 HydrophobicContact CE1-CG1 4.21Å; Y191-I337 HydrophobicContact CE1-CG2 4.45Å; Y191-I337 HydrophobicContact CG-CG2 3.89Å; L192-I337 HydrophobicContact CD2-CD1 3.66Å; L192-I337 HydrophobicContact CG-CD1 4.11Å; M239-I337 HydrophobicContact CE-CG1 3.91Å; M239-I337 HydrophobicContact CG-CG1 4.46Å; M239-I337 HydrophobicContact SD-CD1 4.26Å; M239-I337 HydrophobicContact SD-CG1 3.82Å; T333-I337 HydrophobicContact CG2-CD1 4.15Å; T333-I337 VanDerWaalsContact O-CG1 3.27Å; T333-I337 WeakPolarHBondContact O-CG1 3.24Å; T333-I337 PolarHBondContact O-N 3.29Å; I334-I337 PolarHBondContact O-N 2.04Å; R335-I337 VanDerWaalsContact C-N 3.35Å; R335-I337 PolarHBondContact O-N 2.96Å; I337-L340 PolarHBondContact O-N 3.08Å; I337-N341 WeakPolarHBondContact O-CB 3.36Å; I337-N341 PolarHBondContact O-N 3.25Å; I337-N341 VanDerWaalsContact O-N 3.08Å; I337-N341 PolarHBondContact O-ND2 3.25Å
338	E	98.5	Very high	96.7	Very high	73 Å²	73	64.7 Å²	64.7	34%	0.341	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-44.9	174.6	-67.8	177.9	146.9	0	0	111.1	V188 I334 R335 R336 N341 D342 M345	V188-E338 HydrophobicContact CG2-CG 3.63Å; I334-E338 HydrophobicContact CG2-CG 4.4Å; I334-E338 WeakPolarHBondContact O-CG 3.34Å; I334-E338 PolarHBondContact O-N 3.01Å; R335-E338 WeakPolarHBondContact O-CB 3.27Å; R335-E338 PolarHBondContact O-N 2.95Å; R336-E338 VanDerWaalsContact C-N 3.35Å; E338-N341 CarbonylContact O-C 3.12Å; E338-N341 PolarHBondContact O-N 3.44Å; E338-N341 VanDerWaalsContact O-N 3.09Å; E338-D342 WeakPolarHBondContact O-CA 3.27Å; E338-D342 PolarHBondContact O-N 2.87Å; E338-M345 HydrophobicContact CB-CG 4.38Å; E338-M345 HydrophobicContact CG-CE 3.94Å; E338-M345 HydrophobicContact CG-SD 4.24Å
339	E	98.4	Very high	97.4	Very high	117 Å²	117	57.7 Å²	57.7	55%	0.547	28%	0.276	S	S	.	.	H	α-helix	trans	-58.9	-47.8	174.6	-70.6	171.5	-176.7	0	0	112.4	R335 R336 N341 D342	R335-E339 WeakPolarHBondContact O-CG 3.43Å; R335-E339 PolarHBondContact O-N 2.66Å; R336-E339 WeakPolarHBondContact CD-OE2 3.4Å; R336-E339 IonicContact CZ-OE2 3.53Å; R336-E339 IonicContact NH1-OE2 2.74Å; R336-E339 PolarHBondContact NH1-OE2 3.32Å; R336-E339 PolarHBondContact O-N 3.04Å; E339-N341 PolarHBondContact O-N 3.16Å; E339-N341 VanDerWaalsContact O-N 3.16Å; E339-D342 PolarHBondContact O-N 3.18Å
340	L	98.5	Very high	97.9	Very high	26 Å²	26	56.8 Å²	56.8	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-21	177.1	-71.4	171.7	0	0	0	112.9	M239 N248 R336 I337	M239-L340 HydrophobicContact CB-CD1 3.75Å; M239-L340 HydrophobicContact CE-CD1 4.3Å; M239-L340 HydrophobicContact CG-CD1 3.86Å; N248-L340 PolarHBondContact ND2-O 3.31Å; R336-L340 WeakPolarHBondContact O-CG 3.05Å; R336-L340 PolarHBondContact O-N 3.12Å; I337-L340 PolarHBondContact O-N 3.08Å
341	N	98.8	Very high	98.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	27.2	-178.2	-66.2	-90.1	0	0	0	112.1	P187 R190 Y191 A246 N248 I337 E338 E339 L343 D344 M345	P187-N341 HydrophobicContact CB-CB 4.14Å; R190-N341 PolarHBondContact NH2-OD1 3.49Å; Y191-N341 WeakPolarHBondContact CD2-ND2 3.35Å; A246-N341 PolarHBondContact O-OD1 3.03Å; N248-N341 PolarHBondContact N-OD1 2.94Å; N248-N341 VanDerWaalsContact OD1-CA 3.24Å; N248-N341 WeakPolarHBondContact OD1-CA 3.48Å; N248-N341 PolarHBondContact OD1-O 2.86Å; I337-N341 WeakPolarHBondContact O-CB 3.36Å; I337-N341 PolarHBondContact O-N 3.25Å; I337-N341 VanDerWaalsContact O-N 3.08Å; I337-N341 PolarHBondContact O-ND2 3.25Å; E338-N341 CarbonylContact O-C 3.12Å; E338-N341 PolarHBondContact O-N 3.44Å; E338-N341 VanDerWaalsContact O-N 3.09Å; E339-N341 PolarHBondContact O-N 3.16Å; E339-N341 VanDerWaalsContact O-N 3.16Å; N341-L343 VanDerWaalsContact C-N 3.28Å; N341-L343 PolarHBondContact O-N 2.83Å; N341-D344 HydrophobicContact CB-CB 4.05Å; N341-D344 CarbonylContact O-C 3.51Å; N341-D344 WeakPolarHBondContact O-CA 3.47Å; N341-D344 WeakPolarHBondContact O-CB 3.28Å; N341-D344 PolarHBondContact O-N 3.05Å; N341-M345 WeakPolarHBondContact O-CG 3.47Å; N341-M345 PolarHBondContact O-N 3.16Å
342	D	98.6	Very high	98.3	Very high	77 Å²	77	49.6 Å²	49.6	41%	0.412	23%	0.232	S	C	.	.	H	α-helix	trans	-54.7	-41.6	-173.4	172.8	61.9	0	0	0	112.9	N248 E338 E339 M345 Q346	N248-D342 PolarHBondContact OD1-N 3.06Å; E338-D342 WeakPolarHBondContact O-CA 3.27Å; E338-D342 PolarHBondContact O-N 2.87Å; E339-D342 PolarHBondContact O-N 3.18Å; D342-M345 WeakPolarHBondContact O-CB 3.49Å; D342-M345 PolarHBondContact O-N 3.44Å; D342-Q346 WeakPolarHBondContact O-CG 3.33Å; D342-Q346 PolarHBondContact O-N 3.04Å; D342-Q346 PolarHBondContact OD2-NE2 2.99Å
343	L	98.8	Very high	98.4	Very high	22 Å²	22	44.8 Å²	44.8	12%	0.115	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-40.7	176.9	-49.5	179.3	0	0	0	111.4	N248 V251 A274 L278 N341 M345 Q346 L347	N248-L343 HydrophobicContact CB-CB 4.29Å; N248-L343 HydrophobicContact CB-CD1 4.47Å; N248-L343 WeakPolarHBondContact OD1-CA 3.24Å; N248-L343 WeakPolarHBondContact OD1-CB 3.36Å; N248-L343 PolarHBondContact OD1-N 2.93Å; V251-L343 HydrophobicContact CB-CB 4.18Å; V251-L343 HydrophobicContact CG1-CB 4.17Å; V251-L343 HydrophobicContact CG1-CD1 4.34Å; V251-L343 VanDerWaalsContact CG2-C 3.49Å; V251-L343 HydrophobicContact CG2-CB 3.8Å; V251-L343 VanDerWaalsContact CG2-O 3.28Å; V251-L343 WeakPolarHBondContact CG2-O 3.34Å; A274-L343 HydrophobicContact CB-CD1 3.99Å; A274-L343 HydrophobicContact CB-CD2 3.94Å; L278-L343 WeakPolarHBondContact CD1-O 3.32Å; N341-L343 VanDerWaalsContact C-N 3.28Å; N341-L343 PolarHBondContact O-N 2.83Å; L343-M345 VanDerWaalsContact C-N 3.29Å; L343-M345 PolarHBondContact O-N 3.09Å; L343-Q346 PolarHBondContact O-N 3.2Å; L343-L347 WeakPolarHBondContact O-CB 3.37Å; L343-L347 PolarHBondContact O-N 3.31Å
344	D	98.9	Very high	98.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-36.4	174.3	-98.7	32.4	0	0	0	111.2	P187 R190 N248 Q250 V251 N341 L347 Y348	P187-D344 HydrophobicContact CB-CB 3.89Å; P187-D344 VanDerWaalsContact CG-C 3.46Å; P187-D344 HydrophobicContact CG-CB 3.86Å; P187-D344 VanDerWaalsContact CG-O 3.31Å; P187-D344 WeakPolarHBondContact CG-O 3.44Å; R190-D344 IonicContact CZ-OD2 2.72Å; R190-D344 IonicContact NE-OD2 3.94Å; R190-D344 PolarHBondContact NE-OD2 2.88Å; R190-D344 IonicContact NH2-OD2 3.75Å; N248-D344 VanDerWaalsContact CA-OD1 3.3Å; N248-D344 WeakPolarHBondContact CA-OD1 3.33Å; N248-D344 PolarHBondContact OD1-N 3.23Å; Q250-D344 WeakPolarHBondContact CA-OD1 3.25Å; Q250-D344 WeakPolarHBondContact CB-OD1 3.41Å; Q250-D344 WeakPolarHBondContact CB-OD2 3.41Å; Q250-D344 WeakPolarHBondContact CG-OD2 3.28Å; Q250-D344 PolarHBondContact N-OD1 3.43Å; Q250-D344 PolarHBondContact N-OD2 3.43Å; Q250-D344 VanDerWaalsContact N-OD2 3.09Å; Q250-D344 PolarHBondContact NE2-OD2 2.66Å; V251-D344 PolarHBondContact N-OD1 3.29Å; N341-D344 HydrophobicContact CB-CB 4.05Å; N341-D344 CarbonylContact O-C 3.51Å; N341-D344 WeakPolarHBondContact O-CA 3.47Å; N341-D344 WeakPolarHBondContact O-CB 3.28Å; N341-D344 PolarHBondContact O-N 3.05Å; D344-L347 PolarHBondContact O-N 2.94Å; D344-Y348 VanDerWaalsContact O-CB 3.22Å; D344-Y348 WeakPolarHBondContact O-CB 3.26Å; D344-Y348 PolarHBondContact O-N 3.46Å
345	M	98.8	Very high	98.5	Very high	50 Å²	50	40.7 Å²	40.7	25%	0.246	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-50.1	174.5	-68.4	-60.4	-72.3	0	0	110.8	P187 V188 E338 N341 D342 L343 L347 Y348 D349	P187-M345 HydrophobicContact CB-CG 4.37Å; P187-M345 HydrophobicContact CB-SD 3.66Å; P187-M345 HydrophobicContact CG-CG 4.33Å; P187-M345 HydrophobicContact CG-SD 3.58Å; P187-M345 VanDerWaalsContact CG-SD 3.58Å; V188-M345 HydrophobicContact CG2-SD 4.45Å; E338-M345 HydrophobicContact CB-CG 4.38Å; E338-M345 HydrophobicContact CG-CE 3.94Å; E338-M345 HydrophobicContact CG-SD 4.24Å; N341-M345 WeakPolarHBondContact O-CG 3.47Å; N341-M345 PolarHBondContact O-N 3.16Å; D342-M345 WeakPolarHBondContact O-CB 3.49Å; D342-M345 PolarHBondContact O-N 3.44Å; L343-M345 VanDerWaalsContact C-N 3.29Å; L343-M345 PolarHBondContact O-N 3.09Å; M345-L347 PolarHBondContact O-N 3.32Å; M345-Y348 PolarHBondContact O-N 2.95Å; M345-D349 PolarHBondContact O-N 2.86Å
346	Q	98.7	Very high	98.5	Very high	72 Å²	72	35.1 Å²	35.1	34%	0.336	16%	0.163	S	C	.	.	H	α-helix	trans	-63.2	-39.5	176.7	-66.6	-179.4	58.3	0	0	112.5	L278 D342 L343 Y350	L278-Q346 HydrophobicContact CD1-CB 4.1Å; L278-Q346 HydrophobicContact CD2-CB 3.83Å; L278-Q346 HydrophobicContact CD2-CG 4.43Å; D342-Q346 WeakPolarHBondContact O-CG 3.33Å; D342-Q346 PolarHBondContact O-N 3.04Å; D342-Q346 PolarHBondContact OD2-NE2 2.99Å; L343-Q346 PolarHBondContact O-N 3.2Å; Q346-Y350 WeakPolarHBondContact O-CB 3.44Å; Q346-Y350 PolarHBondContact O-N 2.94Å
347	L	98.9	Very high	98.4	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-65.4	-44.6	175.4	176.6	67.5	0	0	0	111.2	Q250 V251 L254 L278 A281 K282 L285 L343 D344 M345 Y350 A351	Q250-L347 HydrophobicContact CB-CD2 4Å; V251-L347 HydrophobicContact CB-CD2 4.43Å; V251-L347 HydrophobicContact CG2-CB 3.6Å; V251-L347 HydrophobicContact CG2-CD2 3.59Å; V251-L347 HydrophobicContact CG2-CG 4.15Å; L254-L347 HydrophobicContact CD1-CD2 3.87Å; L278-L347 HydrophobicContact CD1-CB 3.97Å; A281-L347 HydrophobicContact CB-CD1 4.12Å; A281-L347 HydrophobicContact CB-CD2 4.28Å; K282-L347 HydrophobicContact CG-CD1 3.96Å; L285-L347 HydrophobicContact CD2-CD1 4.13Å; L343-L347 WeakPolarHBondContact O-CB 3.37Å; L343-L347 PolarHBondContact O-N 3.31Å; D344-L347 PolarHBondContact O-N 2.94Å; M345-L347 PolarHBondContact O-N 3.32Å; L347-Y350 PolarHBondContact O-N 2.94Å; L347-A351 WeakPolarHBondContact O-CB 3.27Å; L347-A351 PolarHBondContact O-N 3.25Å
348	Y	98.8	Very high	98.4	Very high	15 Å²	15	30.5 Å²	30.5	6%	0.059	15%	0.146	C	C	.	.	H	α-helix	trans	-69.4	-37.6	-177.3	-171.9	-96.1	0	0	0	111.8	L184 R185 D186 P187 L293 E295 D344 M345 A351 K352	L184-Y348 HydrophobicContact CB-CD2 4.29Å; L184-Y348 HydrophobicContact CB-CE2 4.42Å; R185-Y348 VanDerWaalsContact C-CD2 3.46Å; R185-Y348 VanDerWaalsContact O-CD2 3.3Å; R185-Y348 WeakPolarHBondContact O-CD2 3.43Å; D186-Y348 HydrophobicContact CB-CE1 4.1Å; P187-Y348 HydrophobicContact CG-CG 4.39Å; L293-Y348 HydrophobicContact CD2-CE2 3.92Å; E295-Y348 PolarHBondContact OE2-OH 3.37Å; D344-Y348 VanDerWaalsContact O-CB 3.22Å; D344-Y348 WeakPolarHBondContact O-CB 3.26Å; D344-Y348 PolarHBondContact O-N 3.46Å; M345-Y348 PolarHBondContact O-N 2.95Å; Y348-A351 PolarHBondContact O-N 3.26Å; Y348-K352 HydrophobicContact CE1-CB 4.43Å; Y348-K352 HydrophobicContact CE1-CD 4.06Å; Y348-K352 WeakPolarHBondContact O-CB 3.45Å; Y348-K352 PolarHBondContact O-N 2.86Å
349	D	98.4	Very high	98.3	Very high	50 Å²	50	27 Å²	27	27%	0.267	13%	0.129	S	C	.	.	H	α-helix	trans	-59.6	-49.2	172.9	-169.9	61.4	0	0	0	111.4	K67 Y68 M345 A351 K352 D353	K67-D349 WeakPolarHBondContact CD-OD2 3.46Å; K67-D349 IonicContact NZ-OD1 3.3Å; K67-D349 PolarHBondContact NZ-OD1 3.49Å; K67-D349 IonicContact NZ-OD2 3.24Å; Y68-D349 PolarHBondContact OH-OD2 3.39Å; M345-D349 PolarHBondContact O-N 2.86Å; D349-A351 PolarHBondContact O-N 2.91Å; D349-K352 PolarHBondContact O-N 3.47Å; D349-D353 PolarHBondContact O-N 3.03Å
350	Y	98.7	Very high	98.1	Very high	15 Å²	15	22.7 Å²	22.7	6%	0.059	11%	0.109	C	C	.	.	H	α-helix	trans	-58.7	-46	173.7	176.1	-92.2	0	0	0	112.7	Y68 F70 K282 R286 Q346 L347 D353 L354	Y68-Y350 HydrophobicContact CD1-CD2 4.16Å; Y68-Y350 HydrophobicContact CD2-CD2 4.15Å; Y68-Y350 HydrophobicContact CE1-CD2 4.33Å; Y68-Y350 HydrophobicContact CE2-CD2 4.32Å; Y68-Y350 HydrophobicContact CG-CD2 4.07Å; F70-Y350 HydrophobicContact CE1-CD2 4.32Å; F70-Y350 HydrophobicContact CE1-CE1 4.37Å; F70-Y350 AromaticContact CE1-CE2 3.48Å; F70-Y350 HydrophobicContact CE1-CE2 3.48Å; F70-Y350 VanDerWaalsContact CE1-CE2 3.48Å; F70-Y350 AromaticContact CE1-CZ 3.52Å; F70-Y350 WeakPolarHBondContact CE1-OH 3.17Å; F70-Y350 HydrophobicContact CZ-CD2 4.05Å; F70-Y350 AromaticContact CZ-CE2 3.67Å; F70-Y350 HydrophobicContact CZ-CE2 3.67Å; F70-Y350 AromaticContact CZ-CZ 3.96Å; K282-Y350 HydrophobicContact CB-CD1 4.14Å; K282-Y350 HydrophobicContact CB-CE1 3.83Å; K282-Y350 HydrophobicContact CD-CD1 4.23Å; K282-Y350 HydrophobicContact CD-CD2 4.09Å; K282-Y350 HydrophobicContact CD-CE1 4.49Å; K282-Y350 HydrophobicContact CD-CE2 4.34Å; K282-Y350 HydrophobicContact CD-CG 4.01Å; K282-Y350 HydrophobicContact CG-CD1 3.71Å; K282-Y350 HydrophobicContact CG-CD2 4.46Å; K282-Y350 HydrophobicContact CG-CE1 3.94Å; K282-Y350 HydrophobicContact CG-CG 3.98Å; R286-Y350 WeakPolarHBondContact CD-OH 3.34Å; R286-Y350 PolarHBondContact NE-OH 3.03Å; Q346-Y350 WeakPolarHBondContact O-CB 3.44Å; Q346-Y350 PolarHBondContact O-N 2.94Å; L347-Y350 PolarHBondContact O-N 2.94Å; Y350-D353 PolarHBondContact O-N 2.92Å; Y350-L354 HydrophobicContact CE1-CD2 4.36Å; Y350-L354 WeakPolarHBondContact O-CB 3.45Å; Y350-L354 PolarHBondContact O-N 2.92Å
351	A	98.6	Very high	97.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.3	-39.5	-178.5	0	0	0	0	0	112.3	L184 L285 F291 L347 Y348 D349 L354 F355	L184-A351 HydrophobicContact CD1-CB 3.6Å; L285-A351 HydrophobicContact CD2-CB 3.55Å; F291-A351 HydrophobicContact CE2-CB 4.07Å; F291-A351 WeakPolarHBondContact CE2-O 3.49Å; F291-A351 HydrophobicContact CZ-CB 4.34Å; F291-A351 WeakPolarHBondContact CZ-O 3.4Å; L347-A351 WeakPolarHBondContact O-CB 3.27Å; L347-A351 PolarHBondContact O-N 3.25Å; Y348-A351 PolarHBondContact O-N 3.26Å; D349-A351 PolarHBondContact O-N 2.91Å; A351-L354 PolarHBondContact O-N 3.47Å; A351-F355 WeakPolarHBondContact O-CB 3.12Å; A351-F355 PolarHBondContact O-N 2.83Å
352	K	98.3	Very high	97.7	Very high	88 Å²	88	25.2 Å²	25.2	38%	0.383	12%	0.118	S	C	.	.	H	α-helix	trans	-63.2	-45	176.2	-173.5	176.8	178.7	-177.6	0	110.7	L293 F296 Y348 D349 F355 Q356	L293-K352 HydrophobicContact CD1-CB 4.24Å; L293-K352 HydrophobicContact CD1-CG 4.31Å; F296-K352 HydrophobicContact CE2-CG 4.38Å; Y348-K352 HydrophobicContact CE1-CB 4.43Å; Y348-K352 HydrophobicContact CE1-CD 4.06Å; Y348-K352 WeakPolarHBondContact O-CB 3.45Å; Y348-K352 PolarHBondContact O-N 2.86Å; D349-K352 PolarHBondContact O-N 3.47Å; K352-F355 PolarHBondContact O-N 3.2Å; K352-Q356 VanDerWaalsContact O-CG 3.26Å; K352-Q356 WeakPolarHBondContact O-CG 3.49Å; K352-Q356 PolarHBondContact O-N 2.9Å
353	D	98.1	Very high	97.5	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-60.2	-53.9	175	-163.8	60.9	0	0	0	111.1	Y64 K67 Y68 F70 D349 Y350 F355 Q356 Q357	Y64-D353 WeakPolarHBondContact OH-CA 3.44Å; Y64-D353 PolarHBondContact OH-O 3.18Å; Y64-D353 PolarHBondContact OH-OD1 3.03Å; K67-D353 PolarHBondContact N-OD1 3.38Å; K67-D353 PolarHBondContact N-OD2 3.39Å; Y68-D353 WeakPolarHBondContact CB-OD2 3.28Å; Y68-D353 HydrophobicContact CD2-CB 3.77Å; Y68-D353 WeakPolarHBondContact CD2-OD2 3.37Å; Y68-D353 HydrophobicContact CE2-CB 4.36Å; Y68-D353 PolarHBondContact N-OD2 2.94Å; F70-D353 HydrophobicContact CE2-CB 4.42Å; F70-D353 WeakPolarHBondContact CE2-OD2 3.45Å; D349-D353 PolarHBondContact O-N 3.03Å; Y350-D353 PolarHBondContact O-N 2.92Å; D353-F355 VanDerWaalsContact C-N 3.28Å; D353-F355 PolarHBondContact O-N 3.29Å; D353-Q356 PolarHBondContact O-N 2.88Å; D353-Q357 WeakPolarHBondContact O-CG 3.44Å; D353-Q357 PolarHBondContact O-N 2.88Å; D353-Q357 PolarHBondContact OD2-NE2 3.44Å
354	L	98.2	Very high	97.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-55.7	-42.3	177.4	178.3	56.5	0	0	0	112.5	F70 L75 R286 F291 Y350 A351 R358	F70-L354 HydrophobicContact CB-CD1 4.44Å; F70-L354 HydrophobicContact CD1-CD1 3.85Å; F70-L354 HydrophobicContact CD2-CB 4.39Å; F70-L354 HydrophobicContact CD2-CD1 3.89Å; F70-L354 HydrophobicContact CE1-CB 4.22Å; F70-L354 HydrophobicContact CE1-CD1 4.04Å; F70-L354 HydrophobicContact CE1-CG 4.49Å; F70-L354 VanDerWaalsContact CE2-CA 3.48Å; F70-L354 HydrophobicContact CE2-CB 3.74Å; F70-L354 HydrophobicContact CE2-CD1 4.08Å; F70-L354 HydrophobicContact CE2-CG 4.5Å; F70-L354 HydrophobicContact CG-CD1 3.78Å; F70-L354 HydrophobicContact CZ-CB 3.64Å; F70-L354 HydrophobicContact CZ-CD1 4.15Å; F70-L354 HydrophobicContact CZ-CG 4.36Å; L75-L354 HydrophobicContact CD2-CD1 4.09Å; R286-L354 HydrophobicContact CB-CD2 4.09Å; R286-L354 HydrophobicContact CG-CD2 4.27Å; F291-L354 HydrophobicContact CE1-CD2 3.79Å; F291-L354 HydrophobicContact CE1-CG 4.09Å; F291-L354 HydrophobicContact CZ-CB 4.28Å; F291-L354 HydrophobicContact CZ-CD2 4.15Å; F291-L354 HydrophobicContact CZ-CG 4.14Å; Y350-L354 HydrophobicContact CE1-CD2 4.36Å; Y350-L354 WeakPolarHBondContact O-CB 3.45Å; Y350-L354 PolarHBondContact O-N 2.92Å; A351-L354 PolarHBondContact O-N 3.47Å; L354-R358 HydrophobicContact CD1-CG 4.2Å; L354-R358 WeakPolarHBondContact O-CB 3.48Å; L354-R358 VanDerWaalsContact O-CG 3.27Å; L354-R358 WeakPolarHBondContact O-CG 3.3Å; L354-R358 PolarHBondContact O-N 3.37Å
355	F	98	Very high	96.9	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-65	-46	179.6	-179.3	-92.7	0	0	0	112.4	F291 L293 F296 K299 L303 A351 K352 D353 R358 Y359	F291-F355 HydrophobicContact CD2-CD2 4.44Å; F291-F355 HydrophobicContact CE2-CB 3.83Å; F291-F355 HydrophobicContact CE2-CD2 4.1Å; F291-F355 HydrophobicContact CE2-CG 4.41Å; F291-F355 HydrophobicContact CZ-CB 3.95Å; L293-F355 HydrophobicContact CD1-CB 3.71Å; L293-F355 HydrophobicContact CD1-CD1 3.66Å; L293-F355 HydrophobicContact CD1-CD2 4.34Å; L293-F355 HydrophobicContact CD1-CE1 4.34Å; L293-F355 HydrophobicContact CD1-CG 3.65Å; L293-F355 HydrophobicContact CG-CB 4.21Å; L293-F355 HydrophobicContact CG-CD1 4.12Å; L293-F355 HydrophobicContact CG-CD2 4.04Å; L293-F355 HydrophobicContact CG-CE1 4.49Å; L293-F355 HydrophobicContact CG-CE2 4.43Å; L293-F355 HydrophobicContact CG-CG 3.86Å; F296-F355 HydrophobicContact CB-CE1 3.84Å; F296-F355 HydrophobicContact CB-CZ 4.25Å; F296-F355 HydrophobicContact CD2-CD1 4.23Å; F296-F355 AromaticContact CD2-CE1 3.97Å; F296-F355 HydrophobicContact CD2-CE1 3.97Å; F296-F355 HydrophobicContact CG-CE1 4.2Å; K299-F355 HydrophobicContact CB-CE1 3.73Å; K299-F355 HydrophobicContact CB-CZ 3.77Å; K299-F355 HydrophobicContact CD-CE1 4.29Å; L303-F355 HydrophobicContact CD1-CD2 3.84Å; L303-F355 HydrophobicContact CD1-CE2 3.61Å; L303-F355 HydrophobicContact CD1-CG 4.43Å; L303-F355 HydrophobicContact CD1-CZ 4.03Å; A351-F355 WeakPolarHBondContact O-CB 3.12Å; A351-F355 PolarHBondContact O-N 2.83Å; K352-F355 PolarHBondContact O-N 3.2Å; D353-F355 VanDerWaalsContact C-N 3.28Å; D353-F355 PolarHBondContact O-N 3.29Å; F355-R358 PolarHBondContact O-N 3.08Å; F355-Y359 WeakPolarHBondContact O-CB 3.15Å; F355-Y359 PolarHBondContact O-N 2.91Å
356	Q	97.1	Very high	96.6	Very high	10 Å²	10	26.9 Å²	26.9	5%	0.047	12%	0.123	C	C	.	.	H	α-helix	trans	-66.3	-41	178	-64.5	-68.1	5.3	0	0	111.2	Y64 F296 K352 D353 Y359 Q360	Y64-Q356 HydrophobicContact CD1-CB 4.33Å; Y64-Q356 HydrophobicContact CD2-CB 4.01Å; Y64-Q356 HydrophobicContact CD2-CG 4.1Å; Y64-Q356 HydrophobicContact CE1-CB 3.87Å; Y64-Q356 HydrophobicContact CE2-CB 3.58Å; Y64-Q356 HydrophobicContact CE2-CG 3.87Å; Y64-Q356 HydrophobicContact CG-CB 4.35Å; Y64-Q356 VanDerWaalsContact CZ-CB 3.48Å; F296-Q356 VanDerWaalsContact CZ-NE2 3.28Å; K352-Q356 VanDerWaalsContact O-CG 3.26Å; K352-Q356 WeakPolarHBondContact O-CG 3.49Å; K352-Q356 PolarHBondContact O-N 2.9Å; D353-Q356 PolarHBondContact O-N 2.88Å; Q356-Y359 WeakPolarHBondContact O-CB 3.45Å; Q356-Y359 PolarHBondContact O-N 3.48Å; Q356-Q360 WeakPolarHBondContact O-CB 3.42Å; Q356-Q360 WeakPolarHBondContact O-CG 3.45Å; Q356-Q360 PolarHBondContact O-N 3.46Å
357	Q	97.3	Very high	96.2	Very high	9 Å²	9	28.2 Å²	28.2	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-41.9	175.3	-64.2	-163.7	44.9	0	0	112.1	Y64 K66 Y68 F70 L75 D353 Y359 Q360 Y361	Y64-Q357 HydrophobicContact CE1-CG 4.02Å; Y64-Q357 VanDerWaalsContact OH-CG 3.24Å; Y64-Q357 WeakPolarHBondContact OH-CG 3.41Å; K66-Q357 HydrophobicContact CD-CG 4.38Å; K66-Q357 HydrophobicContact CG-CG 4.11Å; Y68-Q357 PolarHBondContact O-NE2 3.4Å; F70-Q357 HydrophobicContact CD2-CG 4.45Å; L75-Q357 HydrophobicContact CD1-CB 4.49Å; L75-Q357 HydrophobicContact CD2-CB 3.58Å; D353-Q357 WeakPolarHBondContact O-CG 3.44Å; D353-Q357 PolarHBondContact O-N 2.88Å; D353-Q357 PolarHBondContact OD2-NE2 3.44Å; Q357-Y359 VanDerWaalsContact C-N 3.34Å; Q357-Y359 PolarHBondContact O-N 3.23Å; Q357-Q360 PolarHBondContact O-N 3.11Å; Q357-Y361 WeakPolarHBondContact O-CB 3.44Å; Q357-Y361 PolarHBondContact O-N 2.77Å
358	R	97.4	Very high	95.9	Very high	10 Å²	10	36.3 Å²	36.3	4%	0.038	16%	0.155	C	C	.	.	H	α-helix	trans	-58.3	-45.7	172.7	-79.8	177.9	172	175.5	3	111.5	E74 L75 R286 F291 L303 L354 F355 K362	E74-R358 PolarHBondContact O-NE 3.49Å; E74-R358 PolarHBondContact O-NH2 3.04Å; L75-R358 HydrophobicContact CD2-CG 4.24Å; R286-R358 PolarHBondContact O-NH2 2.77Å; F291-R358 VanDerWaalsContact CE1-NH1 3.25Å; L303-R358 HydrophobicContact CD1-CB 4.15Å; L303-R358 HydrophobicContact CD2-CB 4.27Å; L354-R358 HydrophobicContact CD1-CG 4.2Å; L354-R358 WeakPolarHBondContact O-CB 3.48Å; L354-R358 VanDerWaalsContact O-CG 3.27Å; L354-R358 WeakPolarHBondContact O-CG 3.3Å; L354-R358 PolarHBondContact O-N 3.37Å; F355-R358 PolarHBondContact O-N 3.08Å; R358-K362 WeakPolarHBondContact O-CB 3.21Å; R358-K362 PolarHBondContact O-N 2.93Å
359	Y	96.2	Very high	95.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-51.1	177.8	-173.5	-98.8	0	0	0	111.7	P58 P60 K299 Y302 L303 F355 Q356 Q357 K362 R363	P58-Y359 WeakPolarHBondContact O-CE1 3.41Å; P58-Y359 PolarHBondContact O-OH 2.99Å; P60-Y359 HydrophobicContact CG-CD1 4.26Å; P60-Y359 HydrophobicContact CG-CE1 4.03Å; K299-Y359 HydrophobicContact CB-CD2 3.68Å; K299-Y359 HydrophobicContact CB-CE2 3.8Å; K299-Y359 HydrophobicContact CB-CG 4.31Å; K299-Y359 HydrophobicContact CD-CD1 3.99Å; K299-Y359 HydrophobicContact CD-CD2 4.2Å; K299-Y359 HydrophobicContact CD-CE1 4.17Å; K299-Y359 HydrophobicContact CD-CE2 4.39Å; K299-Y359 HydrophobicContact CD-CG 4.03Å; K299-Y359 HydrophobicContact CG-CD1 4.3Å; K299-Y359 HydrophobicContact CG-CD2 3.82Å; K299-Y359 HydrophobicContact CG-CE1 4.14Å; K299-Y359 HydrophobicContact CG-CE2 3.67Å; K299-Y359 HydrophobicContact CG-CG 4.17Å; Y302-Y359 AromaticContact CD1-CD2 3.6Å; Y302-Y359 HydrophobicContact CD1-CD2 3.6Å; Y302-Y359 AromaticContact CD1-CE2 3.32Å; Y302-Y359 HydrophobicContact CD1-CE2 3.32Å; Y302-Y359 HydrophobicContact CD2-CE2 4.48Å; Y302-Y359 HydrophobicContact CE1-CD2 4.14Å; Y302-Y359 AromaticContact CE1-CE2 3.94Å; Y302-Y359 HydrophobicContact CE1-CE2 3.94Å; Y302-Y359 HydrophobicContact CG-CD2 4.32Å; Y302-Y359 AromaticContact CG-CE2 3.64Å; Y302-Y359 HydrophobicContact CG-CE2 3.64Å; L303-Y359 HydrophobicContact CG-CD2 4.18Å; F355-Y359 WeakPolarHBondContact O-CB 3.15Å; F355-Y359 PolarHBondContact O-N 2.91Å; Q356-Y359 WeakPolarHBondContact O-CB 3.45Å; Q356-Y359 PolarHBondContact O-N 3.48Å; Q357-Y359 VanDerWaalsContact C-N 3.34Å; Q357-Y359 PolarHBondContact O-N 3.23Å; Y359-K362 PolarHBondContact O-N 2.88Å; Y359-R363 HydrophobicContact CD1-CG 4.23Å; Y359-R363 HydrophobicContact CE1-CG 3.8Å; Y359-R363 HydrophobicContact CE2-CG 4.36Å; Y359-R363 WeakPolarHBondContact O-CB 3.03Å; Y359-R363 VanDerWaalsContact O-CG 3.25Å; Y359-R363 WeakPolarHBondContact O-CG 3.33Å; Y359-R363 PolarHBondContact O-N 3.14Å
360	Q	94.6	Very high	95.2	Very high	26 Å²	26	40.3 Å²	40.3	12%	0.121	17%	0.173	C	C	.	.	H	α-helix	trans	-59	-50.8	177.9	-84.1	179.8	-3.3	0	0	112.1	P60 D61 Q356 Q357 K362 R363 Q364	P60-Q360 HydrophobicContact CB-CG 3.6Å; P60-Q360 HydrophobicContact CG-CG 4.24Å; D61-Q360 PolarHBondContact O-NE2 3.17Å; Q356-Q360 WeakPolarHBondContact O-CB 3.42Å; Q356-Q360 WeakPolarHBondContact O-CG 3.45Å; Q356-Q360 PolarHBondContact O-N 3.46Å; Q357-Q360 PolarHBondContact O-N 3.11Å; Q360-K362 PolarHBondContact O-N 2.69Å; Q360-R363 PolarHBondContact O-N 2.93Å; Q360-Q364 WeakPolarHBondContact O-CG 3.45Å; Q360-Q364 PolarHBondContact O-N 3.46Å
361	Y	95.1	Very high	95	Very high	45 Å²	45	48.8 Å²	48.8	18%	0.176	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-48.6	-179.5	180	-103.3	0	0	0	111.1	V72 L75 E76 Q357 R363 Q364 L365	V72-Y361 HydrophobicContact CG1-CE1 4.38Å; V72-Y361 HydrophobicContact CG1-CE2 4.3Å; V72-Y361 WeakPolarHBondContact CG1-OH 3.49Å; V72-Y361 HydrophobicContact CG2-CE2 4.44Å; L75-Y361 HydrophobicContact CB-CD1 3.94Å; L75-Y361 HydrophobicContact CB-CG 4.02Å; L75-Y361 HydrophobicContact CD1-CD2 4.4Å; L75-Y361 HydrophobicContact CD1-CG 4.31Å; E76-Y361 HydrophobicContact CB-CE1 3.76Å; E76-Y361 HydrophobicContact CG-CE1 4.05Å; E76-Y361 PolarHBondContact OE2-OH 2.82Å; Q357-Y361 WeakPolarHBondContact O-CB 3.44Å; Q357-Y361 PolarHBondContact O-N 2.77Å; Y361-R363 PolarHBondContact O-N 2.91Å; Y361-Q364 PolarHBondContact O-N 2.8Å; Y361-L365 HydrophobicContact CD1-CD1 3.95Å; Y361-L365 HydrophobicContact CD1-CG 4.38Å; Y361-L365 HydrophobicContact CE1-CD1 3.31Å; Y361-L365 HydrophobicContact CE1-CG 3.97Å; Y361-L365 HydrophobicContact CE2-CD2 4.47Å; Y361-L365 HydrophobicContact CE2-CG 4.4Å; Y361-L365 PolarHBondContact O-N 2.88Å
362	K	95.2	Very high	94.8	Very high	34 Å²	34	52.8 Å²	52.8	15%	0.148	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-37.3	179.3	-172.2	62.7	-178.3	-178	0	112.5	S78 Y302 L303 R306 R358 Y359 Q360 L365 E366	S78-K362 PolarHBondContact OG-NZ 3.04Å; Y302-K362 HydrophobicContact CE1-CB 4.06Å; Y302-K362 HydrophobicContact CE1-CG 3.88Å; Y302-K362 PolarHBondContact OH-O 3.38Å; L303-K362 HydrophobicContact CD2-CB 4.37Å; R306-K362 HydrophobicContact CB-CD 4.35Å; R306-K362 HydrophobicContact CB-CG 4.08Å; R306-K362 HydrophobicContact CG-CD 4.3Å; R306-K362 VanDerWaalsContact CG-CE 3.49Å; R306-K362 HydrophobicContact CG-CG 3.92Å; R358-K362 WeakPolarHBondContact O-CB 3.21Å; R358-K362 PolarHBondContact O-N 2.93Å; Y359-K362 PolarHBondContact O-N 2.88Å; Q360-K362 PolarHBondContact O-N 2.69Å; K362-L365 PolarHBondContact O-N 3Å; K362-E366 PolarHBondContact O-N 3.43Å
363	R	92.8	Very high	94.5	Very high	5 Å²	5	55.9 Å²	55.9	2%	0.019	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-39.4	173.7	-72.5	-74.7	-77.4	-179.7	-8.1	112	L54 F57 P60 Y302 Y359 Q360 Y361 R367	L54-R363 VanDerWaalsContact CA-NH1 3.34Å; L54-R363 PolarHBondContact O-NH1 3.39Å; L54-R363 PolarHBondContact O-NH2 2.96Å; F57-R363 PolarHBondContact O-NH2 3.43Å; P60-R363 HydrophobicContact CG-CB 4.05Å; P60-R363 HydrophobicContact CG-CG 4.13Å; Y302-R363 HydrophobicContact CE1-CG 4Å; Y302-R363 VanDerWaalsContact CZ-CD 3.42Å; Y302-R363 WeakPolarHBondContact OH-CA 3.14Å; Y302-R363 VanDerWaalsContact OH-CD 3.22Å; Y302-R363 WeakPolarHBondContact OH-CD 3.1Å; Y302-R363 PolarHBondContact OH-N 3.4Å; Y359-R363 HydrophobicContact CD1-CG 4.23Å; Y359-R363 HydrophobicContact CE1-CG 3.8Å; Y359-R363 HydrophobicContact CE2-CG 4.36Å; Y359-R363 WeakPolarHBondContact O-CB 3.03Å; Y359-R363 VanDerWaalsContact O-CG 3.25Å; Y359-R363 WeakPolarHBondContact O-CG 3.33Å; Y359-R363 PolarHBondContact O-N 3.14Å; Q360-R363 PolarHBondContact O-N 2.93Å; Y361-R363 PolarHBondContact O-N 2.91Å; R363-R367 WeakPolarHBondContact O-CB 3.41Å; R363-R367 VanDerWaalsContact O-CG 3.28Å; R363-R367 WeakPolarHBondContact O-CG 2.99Å; R363-R367 PolarHBondContact O-N 3.38Å
364	Q	92.8	Very high	94.2	Very high	125 Å²	125	57.9 Å²	57.9	58%	0.584	25%	0.249	S	C	*	.	H	α-helix	trans	-66.6	-42.6	176.4	-73.4	175.2	-4.5	0	0	111.8	Q360 Y361 R367 R368	Q360-Q364 WeakPolarHBondContact O-CG 3.45Å; Q360-Q364 PolarHBondContact O-N 3.46Å; Y361-Q364 PolarHBondContact O-N 2.8Å; Q364-R367 PolarHBondContact O-N 3.38Å; Q364-R368 WeakPolarHBondContact O-CB 3.28Å; Q364-R368 PolarHBondContact O-N 3.2Å
365	L	93.1	Very high	94	Very high	32 Å²	32	66 Å²	66	17%	0.168	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-50.3	174.1	-73.1	-175.8	0	0	0	111.8	Y361 K362 R367 R368 E369	Y361-L365 HydrophobicContact CD1-CD1 3.95Å; Y361-L365 HydrophobicContact CD1-CG 4.38Å; Y361-L365 HydrophobicContact CE1-CD1 3.31Å; Y361-L365 HydrophobicContact CE1-CG 3.97Å; Y361-L365 HydrophobicContact CE2-CD2 4.47Å; Y361-L365 HydrophobicContact CE2-CG 4.4Å; Y361-L365 PolarHBondContact O-N 2.88Å; K362-L365 PolarHBondContact O-N 3Å; L365-R367 VanDerWaalsContact C-N 3.34Å; L365-R367 PolarHBondContact O-N 3.23Å; L365-R368 WeakPolarHBondContact O-CB 3.4Å; L365-R368 PolarHBondContact O-N 3.25Å; L365-R368 VanDerWaalsContact O-N 3.07Å; L365-E369 WeakPolarHBondContact O-CG 2.99Å; L365-E369 PolarHBondContact O-N 2.9Å
366	E	91.6	Very high	93.8	Very high	22 Å²	22	71.6 Å²	71.6	10%	0.103	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-41.8	179.3	-74.2	-176.6	-167.8	0	0	112.1	L54 Y302 R306 K362 R368 E369 Q370	L54-E366 HydrophobicContact CD2-CB 4.07Å; L54-E366 WeakPolarHBondContact CD2-OE2 3.45Å; Y302-E366 PolarHBondContact OH-OE1 3.47Å; Y302-E366 PolarHBondContact OH-OE2 2.94Å; R306-E366 WeakPolarHBondContact CD-OE1 3.23Å; R306-E366 WeakPolarHBondContact CG-OE1 3.39Å; R306-E366 IonicContact CZ-OE1 3.93Å; R306-E366 IonicContact CZ-OE2 2.73Å; R306-E366 IonicContact NE-OE1 3.03Å; R306-E366 PolarHBondContact NE-OE1 3.44Å; R306-E366 IonicContact NE-OE2 3.94Å; R306-E366 PolarHBondContact NE-OE2 3.28Å; R306-E366 IonicContact NH2-OE1 2.75Å; R306-E366 IonicContact NH2-OE2 3.51Å; R306-E366 PolarHBondContact NH2-OE2 3.03Å; R306-E366 VanDerWaalsContact NH2-OE2 3.1Å; K362-E366 PolarHBondContact O-N 3.43Å; E366-R368 VanDerWaalsContact C-N 3.31Å; E366-R368 PolarHBondContact O-N 3.14Å; E366-E369 PolarHBondContact O-N 3.44Å; E366-Q370 WeakPolarHBondContact O-CG 3.49Å; E366-Q370 PolarHBondContact O-N 3.43Å
367	R	91.1	Very high	93.6	Very high	100 Å²	100	77.1 Å²	77.1	38%	0.377	33%	0.332	S	S	.	.	H	α-helix	trans	-62.9	-37.4	174.4	-74.4	174.1	175.9	-171.3	-2.4	112.3	L54 R363 Q364 L365 R371	L54-R367 HydrophobicContact CD1-CG 4.3Å; R363-R367 WeakPolarHBondContact O-CB 3.41Å; R363-R367 VanDerWaalsContact O-CG 3.28Å; R363-R367 WeakPolarHBondContact O-CG 2.99Å; R363-R367 PolarHBondContact O-N 3.38Å; Q364-R367 PolarHBondContact O-N 3.38Å; L365-R367 VanDerWaalsContact C-N 3.34Å; L365-R367 PolarHBondContact O-N 3.23Å; R367-R371 VanDerWaalsContact O-CG 3.25Å; R367-R371 WeakPolarHBondContact O-CG 3.36Å; R367-R371 PolarHBondContact O-N 2.03Å
368	R	92.9	Very high	93.3	Very high	172 Å²	172	85.2 Å²	85.2	65%	0.649	36%	0.362	S	S	*	.	H	α-helix	trans	-66.9	-45.5	176.5	-175.4	-179.7	179.4	-174.8	-0.3	110.9	Q364 L365 E366 R371 L372	Q364-R368 WeakPolarHBondContact O-CB 3.28Å; Q364-R368 PolarHBondContact O-N 3.2Å; L365-R368 WeakPolarHBondContact O-CB 3.4Å; L365-R368 PolarHBondContact O-N 3.25Å; L365-R368 VanDerWaalsContact O-N 3.07Å; E366-R368 VanDerWaalsContact C-N 3.31Å; E366-R368 PolarHBondContact O-N 3.14Å; R368-R371 PolarHBondContact O-N 2.03Å; R368-L372 HydrophobicContact CG-CD1 4.46Å; R368-L372 WeakPolarHBondContact O-CG 3.38Å; R368-L372 PolarHBondContact O-N 2.64Å
369	E	92.4	Very high	93.1	Very high	89 Å²	89	89.4 Å²	89.4	42%	0.416	39%	0.385	S	S	.	.	H	α-helix	trans	-59.9	-45	176.1	-72.4	173.1	-170.9	0	0	111.7	L365 E366 L372 R373	L365-E369 WeakPolarHBondContact O-CG 2.99Å; L365-E369 PolarHBondContact O-N 2.9Å; E366-E369 PolarHBondContact O-N 3.44Å; E369-L372 PolarHBondContact O-N 3.32Å; E369-R373 WeakPolarHBondContact O-CG 3.31Å; E369-R373 PolarHBondContact O-N 3Å
370	Q	90.7	Very high	92.8	Very high	60 Å²	60	94.7 Å²	94.7	28%	0.28	41%	0.413	S	S	.	.	H	α-helix	trans	-61.3	-44.7	175.1	-76.4	-176.4	-22.7	0	0	112.7	E366 L372 R373 S374	E366-Q370 WeakPolarHBondContact O-CG 3.49Å; E366-Q370 PolarHBondContact O-N 3.43Å; Q370-L372 VanDerWaalsContact C-N 3.25Å; Q370-L372 PolarHBondContact O-N 3.18Å; Q370-R373 PolarHBondContact O-N 3.36Å; Q370-S374 WeakPolarHBondContact O-CB 3.37Å; Q370-S374 PolarHBondContact O-N 3.2Å; Q370-S374 PolarHBondContact O-OG 2.85Å; Q370-S374 VanDerWaalsContact O-OG 3.11Å
371	R	92.8	Very high	92.5	Very high	192 Å²	192	98.8 Å²	98.8	73%	0.725	43%	0.432	S	S	*	.	H	α-helix	trans	-59.6	-37.5	176.3	-74.6	171.8	-176.8	-173.2	0.2	112.1	R367 R368 R375	R367-R371 VanDerWaalsContact O-CG 3.25Å; R367-R371 WeakPolarHBondContact O-CG 3.36Å; R367-R371 PolarHBondContact O-N 2.03Å; R368-R371 PolarHBondContact O-N 2.03Å; R371-R375 WeakPolarHBondContact O-CB 3.26Å; R371-R375 PolarHBondContact O-N 3.15Å; R371-R375 VanDerWaalsContact O-N 3.07Å
372	L	94.5	Very high	92.3	Very high	84 Å²	84	105.2 Å²	105.2	44%	0.44	46%	0.455	S	S	.	.	H	α-helix	trans	-66.8	-48.5	175.2	-69.3	171.5	0	0	0	111	R368 E369 Q370 S374 R375 E376	R368-L372 HydrophobicContact CG-CD1 4.46Å; R368-L372 WeakPolarHBondContact O-CG 3.38Å; R368-L372 PolarHBondContact O-N 2.64Å; E369-L372 PolarHBondContact O-N 3.32Å; Q370-L372 VanDerWaalsContact C-N 3.25Å; Q370-L372 PolarHBondContact O-N 3.18Å; L372-S374 PolarHBondContact O-N 3.32Å; L372-R375 WeakPolarHBondContact O-CB 3.47Å; L372-R375 PolarHBondContact O-N 3.31Å; L372-E376 WeakPolarHBondContact O-CG 3.28Å; L372-E376 PolarHBondContact O-N 2.94Å
373	R	92.8	Very high	92	Very high	153 Å²	153	106.2 Å²	106.2	58%	0.577	47%	0.47	S	S	*	.	H	α-helix	trans	-57.8	-48.4	175.9	-70.7	179.7	-174.4	179.9	3.7	112.4	E369 Q370 R375 E376 E377	E369-R373 WeakPolarHBondContact O-CG 3.31Å; E369-R373 PolarHBondContact O-N 3Å; Q370-R373 PolarHBondContact O-N 3.36Å; R373-R375 PolarHBondContact O-N 2.91Å; R373-E376 PolarHBondContact O-N 2.85Å; R373-E376 VanDerWaalsContact O-N 3.15Å; R373-E377 WeakPolarHBondContact O-CG 3Å; R373-E377 PolarHBondContact O-N 3.02Å
374	S	92	Very high	91.6	Very high	46 Å²	46	113.7 Å²	113.7	32%	0.322	50%	0.503	S	S	.	.	H	α-helix	trans	-63.4	-29	176.9	-58.4	0	0	0	0	112.8	Q370 L372 R378	Q370-S374 WeakPolarHBondContact O-CB 3.37Å; Q370-S374 PolarHBondContact O-N 3.2Å; Q370-S374 PolarHBondContact O-OG 2.85Å; Q370-S374 VanDerWaalsContact O-OG 3.11Å; L372-S374 PolarHBondContact O-N 3.32Å; S374-R378 WeakPolarHBondContact O-CD 3.44Å; S374-R378 WeakPolarHBondContact O-CG 3.33Å; S374-R378 PolarHBondContact O-N 3.25Å
375	R	93.7	Very high	91.1	Very high	171 Å²	171	114.3 Å²	114.3	65%	0.645	51%	0.506	S	S	*	.	H	α-helix	trans	-72.3	-43.7	173.5	-176.2	-179.3	178.5	-176.6	-0.5	111	R371 L372 R373 R378 L379	R371-R375 WeakPolarHBondContact O-CB 3.26Å; R371-R375 PolarHBondContact O-N 3.15Å; R371-R375 VanDerWaalsContact O-N 3.07Å; L372-R375 WeakPolarHBondContact O-CB 3.47Å; L372-R375 PolarHBondContact O-N 3.31Å; R373-R375 PolarHBondContact O-N 2.91Å; R375-R378 PolarHBondContact O-N 3.27Å; R375-L379 HydrophobicContact CG-CD1 4.41Å; R375-L379 WeakPolarHBondContact O-CG 3.23Å; R375-L379 PolarHBondContact O-N 3.13Å
376	E	93.4	Very high	90.4	Very high	118 Å²	118	116.6 Å²	116.6	55%	0.551	53%	0.529	S	S	*	.	H	α-helix	trans	-62.3	-44.7	176.2	-71.7	170	178.4	0	0	111.6	L372 R373 R378 L379 L380	L372-E376 WeakPolarHBondContact O-CG 3.28Å; L372-E376 PolarHBondContact O-N 2.94Å; R373-E376 PolarHBondContact O-N 2.85Å; R373-E376 VanDerWaalsContact O-N 3.15Å; E376-R378 VanDerWaalsContact C-N 3.34Å; E376-R378 PolarHBondContact O-N 2.79Å; E376-L379 PolarHBondContact O-N 3.09Å; E376-L379 VanDerWaalsContact O-N 3.14Å; E376-L380 WeakPolarHBondContact O-CG 3.4Å; E376-L380 PolarHBondContact O-N 3.1Å
377	E	92.3	Very high	89	Confident	126 Å²	126	121.6 Å²	121.6	59%	0.589	56%	0.556	S	S	*	*	H	α-helix	trans	-59	-42.1	174.9	-73.7	169.6	177.1	0	0	112.2	R373 L380 H381	R373-E377 WeakPolarHBondContact O-CG 3Å; R373-E377 PolarHBondContact O-N 3.02Å; E377-L380 PolarHBondContact O-N 3.16Å; E377-H381 WeakPolarHBondContact O-CB 3.2Å; E377-H381 PolarHBondContact O-N 3.31Å
378	R	91.9	Very high	87.4	Confident	179 Å²	179	122.1 Å²	122.1	68%	0.675	57%	0.572	S	S	*	*	H	α-helix	trans	-65.2	-38	175	-72.8	172.3	-158	-162.5	4.3	112.4	S374 R375 E376 R382	S374-R378 WeakPolarHBondContact O-CD 3.44Å; S374-R378 WeakPolarHBondContact O-CG 3.33Å; S374-R378 PolarHBondContact O-N 3.25Å; R375-R378 PolarHBondContact O-N 3.27Å; E376-R378 VanDerWaalsContact C-N 3.34Å; E376-R378 PolarHBondContact O-N 2.79Å; R378-R382 WeakPolarHBondContact O-CG 3.47Å; R378-R382 PolarHBondContact O-N 3.44Å; R378-R382 VanDerWaalsContact O-N 3.1Å
379	L	92.6	Very high	85.6	Confident	99 Å²	99	125.3 Å²	125.3	52%	0.518	58%	0.584	S	S	.	*	H	α-helix	trans	-68	-41.7	176.4	-70.3	171.5	0	0	0	111.1	R375 E376 R382 A383	R375-L379 HydrophobicContact CG-CD1 4.41Å; R375-L379 WeakPolarHBondContact O-CG 3.23Å; R375-L379 PolarHBondContact O-N 3.13Å; E376-L379 PolarHBondContact O-N 3.09Å; E376-L379 VanDerWaalsContact O-N 3.14Å; L379-R382 PolarHBondContact O-N 2.9Å; L379-A383 WeakPolarHBondContact O-CB 3.37Å; L379-A383 PolarHBondContact O-N 3.01Å
380	L	91.1	Very high	83.8	Confident	111 Å²	111	129.8 Å²	129.8	58%	0.581	61%	0.605	S	S	*	*	H	α-helix	trans	-63.5	-40.7	174.8	-75.4	165.5	0	0	0	112.2	E376 E377 A383 K384	E376-L380 WeakPolarHBondContact O-CG 3.4Å; E376-L380 PolarHBondContact O-N 3.1Å; E377-L380 PolarHBondContact O-N 3.16Å; L380-A383 PolarHBondContact O-N 3.37Å; L380-K384 WeakPolarHBondContact O-CG 3.25Å; L380-K384 PolarHBondContact O-N 2.9Å
381	H	88.6	Confident	81.6	Confident	112 Å²	112	135 Å²	135	52%	0.519	64%	0.635	S	S	.	*	H	α-helix	trans	-61.6	-48.6	175.1	-168.6	-81.5	0	0	0	111.5	E377 A383 K384 E385	E377-H381 WeakPolarHBondContact O-CB 3.2Å; E377-H381 PolarHBondContact O-N 3.31Å; H381-A383 VanDerWaalsContact C-N 3.3Å; H381-A383 PolarHBondContact O-N 3.06Å; H381-K384 PolarHBondContact O-N 2.74Å; H381-E385 IonicContact CE1-OE1 3.03Å; H381-E385 PolarHBondContact CE1-OE1 3.14Å; H381-E385 IonicContact CE1-OE2 3.3Å; H381-E385 VanDerWaalsContact ND1-CD 3.26Å; H381-E385 IonicContact ND1-OE1 3.16Å; H381-E385 IonicContact ND1-OE2 3.94Å; H381-E385 PolarHBondContact ND1-OE2 3.13Å; H381-E385 PolarHBondContact O-N 3.5Å
382	R	89.7	Confident	79.6	Confident	179 Å²	179	129.9 Å²	129.9	68%	0.675	63%	0.634	S	S	*	*	H	α-helix	trans	-61.2	-37.4	176.7	-74.2	178.3	176.6	-171.5	-2.8	112.7	R378 L379 E385 A386	R378-R382 WeakPolarHBondContact O-CG 3.47Å; R378-R382 PolarHBondContact O-N 3.44Å; R378-R382 VanDerWaalsContact O-N 3.1Å; L379-R382 PolarHBondContact O-N 2.9Å; R382-E385 PolarHBondContact O-N 3.23Å; R382-A386 WeakPolarHBondContact O-CB 3.12Å; R382-A386 PolarHBondContact O-N 3.4Å; R382-A386 VanDerWaalsContact O-N 3.16Å
383	A	88.2	Confident	77.3	Confident	56 Å²	56	133.2 Å²	133.2	46%	0.463	65%	0.652	S	S	.	*	H	α-helix	trans	-66.3	-39.2	176	0	0	0	0	0	112.1	L379 L380 H381 A386 L387	L379-A383 WeakPolarHBondContact O-CB 3.37Å; L379-A383 PolarHBondContact O-N 3.01Å; L380-A383 PolarHBondContact O-N 3.37Å; H381-A383 VanDerWaalsContact C-N 3.3Å; H381-A383 PolarHBondContact O-N 3.06Å; A383-A386 PolarHBondContact O-N 3.2Å; A383-L387 PolarHBondContact O-N 3.39Å
384	K	85.4	Confident	75.1	Confident	162 Å²	162	134.7 Å²	134.7	70%	0.704	67%	0.665	S	S	*	*	H	α-helix	trans	-67.1	-35.8	175.5	-73.4	-179.5	-179.6	-174.6	0	113.1	L380 H381 A386	L380-K384 WeakPolarHBondContact O-CG 3.25Å; L380-K384 PolarHBondContact O-N 2.9Å; H381-K384 PolarHBondContact O-N 2.74Å; K384-A386 VanDerWaalsContact C-N 3.29Å
385	E	82.5	Confident	72.9	Confident	137 Å²	137	138.5 Å²	138.5	64%	0.64	69%	0.689	S	S	*	*	H	α-helix	trans	-71.5	-24	175.2	-70.6	175.4	136.1	0	0	112.9	H381 R382	H381-E385 IonicContact CE1-OE1 3.03Å; H381-E385 PolarHBondContact CE1-OE1 3.14Å; H381-E385 IonicContact CE1-OE2 3.3Å; H381-E385 VanDerWaalsContact ND1-CD 3.26Å; H381-E385 IonicContact ND1-OE1 3.16Å; H381-E385 IonicContact ND1-OE2 3.94Å; H381-E385 PolarHBondContact ND1-OE2 3.13Å; H381-E385 PolarHBondContact O-N 3.5Å; R382-E385 PolarHBondContact O-N 3.23Å
386	A	77.1	Confident	70.3	Confident	80 Å²	80	133.8 Å²	133.8	66%	0.661	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-6.3	179	0	0	0	0	0	114.1	R382 A383 K384	R382-A386 WeakPolarHBondContact O-CB 3.12Å; R382-A386 PolarHBondContact O-N 3.4Å; R382-A386 VanDerWaalsContact O-N 3.16Å; A383-A386 PolarHBondContact O-N 3.2Å; K384-A386 VanDerWaalsContact C-N 3.29Å
387	L	62.9	Low	67.8	Low	128 Å²	128	138.8 Å²	138.8	67%	0.67	71%	0.708	S	S	*	*	S	Bend	trans	-73.4	124.1	172.6	-93.5	130	0	0	0	109.5	A383 R389	A383-L387 PolarHBondContact O-N 3.39Å; L387-R389 PolarHBondContact O-N 3.47Å
388	P	57	Low	65.4	Low	110 Å²	110	139.8 Å²	139.8	71%	0.714	72%	0.722	S	S	*	*			trans	-56.1	136.7	172.8	-19.9	30.9	0	0	0	109.7	E390	P388-E390 PolarHBondContact O-N 3.25Å
389	R	56.4	Low	63.2	Low	239 Å²	239	135.3 Å²	135.3	90%	0.902	72%	0.716	S	S	*	*			trans	-59.3	107.9	162.2	-79.8	179.1	164.5	176.4	-5.6	106.2	L387 D391	L387-R389 PolarHBondContact O-N 3.47Å; R389-D391 PolarHBondContact O-N 3.09Å
390	E	53.3	Low	61.2	Low	183 Å²	183	136.9 Å²	136.9	86%	0.855	73%	0.73	S	S	*	*			trans	-57	123.1	164.6	-76	-179.9	151.8	0	0	107.2	P388 A392	P388-E390 PolarHBondContact O-N 3.25Å; E390-A392 VanDerWaalsContact C-N 3.31Å; E390-A392 PolarHBondContact O-N 3.26Å
391	D	44.9	Very low	58.8	Low	171 Å²	171	140.6 Å²	140.6	91%	0.914	74%	0.744	S	S	*	*			trans	-58.2	98.5	166.1	-68	-48.5	0	0	0	107.7	R389	R389-D391 PolarHBondContact O-N 3.09Å
392	A	51.1	Low	56.9	Low	83 Å²	83	142.1 Å²	142.1	69%	0.686	76%	0.756	S	S	*	*			trans	-99.9	119.7	166.9	0	0	0	0	0	107.8	E390	E390-A392 VanDerWaalsContact C-N 3.31Å; E390-A392 PolarHBondContact O-N 3.26Å
393	D	46.5	Very low	54.9	Low	155 Å²	155	143.7 Å²	143.7	83%	0.829	76%	0.764	S	S	*	*			trans	77.2	82.7	165.7	-57.1	-30.7	0	0	0	118.4
394	E	46.3	Very low	52.8	Low	183 Å²	183	149.6 Å²	149.6	86%	0.855	78%	0.784	S	S	*	*			trans	-125.2	110.7	134.9	-116.2	-156.2	166.4	0	0	110	G396	E394-G396 PolarHBondContact O-N 3.47Å
395	P	46.9	Very low	51	Low	127 Å²	127	146.3 Å²	146.3	83%	0.825	78%	0.781	S	S	*	*			trans	-85.9	107.7	167.3	31	-25.2	0	0	0	109.1
396	G	38.1	Very low	49.3	Very low	72 Å²	72	146.8 Å²	146.8	74%	0.742	78%	0.783	S	S	*	*			trans	91.2	97.7	152.2	0	0	0	0	0	116.4	E394	E394-G396 PolarHBondContact O-N 3.47Å
397	R	40.2	Very low	48	Very low	223 Å²	223	150.6 Å²	150.6	84%	0.842	79%	0.791	S	S	*	*			trans	-156.5	94	142.1	-158.7	157.2	-168.7	-174.1	3.6	111.1
398	V	43.5	Very low	47.3	Very low	147 Å²	147	152.7 Å²	152.7	89%	0.891	80%	0.801	S	S	*	*			trans	-85.8	118.6	155.5	-178.5	0	0	0	0	105.5
399	P	45	Very low	46.7	Very low	84 Å²	84	156.6 Å²	156.6	55%	0.545	81%	0.81	S	S	.	*				-151.3	145.6	118.2	26.1	-4.2	0	0	0	116.5
400	T	50	Low	46.1	Very low	132 Å²	132	154 Å²	154	81%	0.81	81%	0.805	S	S	*	*			trans	78.7	106.1	142.8	53.8	0	0	0	0	119.7	D402	T400-D402 PolarHBondContact O-N 2.72Å
401	E	42.3	Very low	45.6	Very low	189 Å²	189	160.9 Å²	160.9	88%	0.883	82%	0.823	S	S	*	*			trans	-44.6	119.7	147.9	-63.9	170	138.1	0	0	111
402	D	48.7	Very low	45.6	Very low	145 Å²	145	160.4 Å²	160.4	78%	0.775	82%	0.819	S	S	*	*			trans	171.7	88.1	146.9	-104.9	-17.8	0	0	0	108	T400	T400-D402 PolarHBondContact O-N 2.72Å
403	Y	46.1	Very low	45.3	Very low	212 Å²	212	164.5 Å²	164.5	83%	0.831	83%	0.826	S	S	*	*	S	Bend	trans	-177.1	45.7	148.9	-128.4	-98.7	0	0	0	114.9
404	M	45.2	Very low	45.3	Very low	179 Å²	179	165 Å²	165	88%	0.882	83%	0.826	S	S	*	*			trans	-136.7	15.8	168.7	-88.8	-68.4	144.8	0	0	114.3	H406	M404-H406 VanDerWaalsContact C-N 3.28Å; M404-H406 PolarHBondContact O-N 2.68Å
405	S	46.9	Very low	45.2	Very low	94 Å²	94	163.9 Å²	163.9	66%	0.657	82%	0.824	S	S	*	*	S	Bend	trans	-83.7	11	174.5	53.1	0	0	0	0	114.9
406	H	48.1	Very low	45.1	Very low	147 Å²	147	166.3 Å²	166.3	68%	0.681	82%	0.824	S	S	*	*	S	Bend	trans	-130	98.4	173.9	-64.3	-61.9	0	0	0	108.9	M404	M404-H406 VanDerWaalsContact C-N 3.28Å; M404-H406 PolarHBondContact O-N 2.68Å
407	I	49.3	Very low	45.6	Very low	159 Å²	159	172.5 Å²	172.5	82%	0.815	83%	0.829	S	S	*	*	S	Bend	trans	174.1	2.3	149.6	-87.9	154	0	0	0	113.7
408	I	47.8	Very low	46	Very low	172 Å²	172	168.9 Å²	168.9	88%	0.882	83%	0.828	S	S	*	*			trans	-107.5	46.4	175	-48.8	178.3	0	0	0	112.8
409	E	43.3	Very low	46.2	Very low	193 Å²	193	170.6 Å²	170.6	90%	0.902	82%	0.824	S	S	*	*			trans	-135	76.9	157.5	-83.9	-166.7	167.9	0	0	109.1
410	K	44	Very low	46.3	Very low	185 Å²	185	177.8 Å²	177.8	80%	0.804	85%	0.847	S	S	*	*			trans	-169.8	117.8	151.4	-107.8	172.4	-175.7	-179.9	0	105.9
411	W	43.5	Very low	45.9	Very low	327 Å²	327	182 Å²	182	100%	1.239	85%	0.85	S	S	*	*			trans	98.9	0	-177.1	-60.1	94.4	0	0	0	116

Retrieved 411 of 411 residues in 89.6 ms (Link to these results)

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