A0A087XQV3_POEFO Loading...

Golgi associated kinase 1A

AlphaFold DB , UniProt , Accession A0A087XQV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 aa.

Structure Viewer

Loading PAE data...

(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	34.5	Very low	35.3	Very low	243 Å²	243	169.2 Å²	169.2	100%	1.197	85%	0.853	S	S	*	*				0	123.8	0	-74.2	-170.7	167.8	0	0	107.8
2	P	36.3	Very low	35.9	Very low	135 Å²	135	164.7 Å²	164.7	88%	0.877	83%	0.832	S	S	*	*			trans	-90	142.8	-176.3	34.8	-28.8	0	0	0	110.6
3	S	34.6	Very low	37	Very low	123 Å²	123	155.9 Å²	155.9	86%	0.86	80%	0.795	S	S	*	*			trans	-108.4	114.9	164.7	-162.1	0	0	0	0	107.7
4	S	34.7	Very low	37.5	Very low	94 Å²	94	154.8 Å²	154.8	66%	0.657	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-85.1	121.3	174.3	49.6	0	0	0	0	109.7
5	D	36.8	Very low	37.7	Very low	166 Å²	166	152.3 Å²	152.3	89%	0.888	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-96.5	117.7	161.1	-94.3	-28.4	0	0	0	109.3
6	L	34.3	Very low	37.7	Very low	161 Å²	161	148.3 Å²	148.3	84%	0.843	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-74.1	132.2	-176.5	-77.2	148.7	0	0	0	110.2	E8	L6-E8 PolarHBondContact O-N 3.45Å
7	R	35.5	Very low	37.9	Very low	233 Å²	233	148.2 Å²	148.2	88%	0.879	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-65.6	123.9	161.1	-74.5	178.4	173.7	-170.7	-3.1	108.3	D9	R7-D9 PolarHBondContact O-N 2.77Å
8	E	29.6	Very low	37.9	Very low	177 Å²	177	146.9 Å²	146.9	83%	0.827	74%	0.739	S	S	*	*			trans	-78.1	96.7	171.2	-144.6	174.8	-174.6	0	0	108.1	L6 R10	L6-E8 PolarHBondContact O-N 3.45Å; E8-R10 PolarHBondContact O-N 3.16Å; E8-R10 VanDerWaalsContact O-N 3.09Å
9	D	32.1	Very low	37.6	Very low	139 Å²	139	141.9 Å²	141.9	74%	0.743	72%	0.723	S	S	*	*			trans	-65.8	102.9	169.2	-85.7	-32	0	0	0	108.6	R7 H11	R7-D9 PolarHBondContact O-N 2.77Å; D9-H11 PolarHBondContact O-N 3.2Å
10	R	39.2	Very low	37.7	Very low	230 Å²	230	136.7 Å²	136.7	87%	0.868	70%	0.702	S	S	*	*			trans	-70.1	86.7	165.6	-73.7	-173.3	-160.5	-168.9	4.4	109	E8 L12	E8-R10 PolarHBondContact O-N 3.16Å; E8-R10 VanDerWaalsContact O-N 3.09Å; R10-L12 PolarHBondContact O-N 3.04Å; R10-L12 VanDerWaalsContact O-N 3.17Å
11	H	40.8	Very low	38	Very low	160 Å²	160	133.2 Å²	133.2	74%	0.741	69%	0.69	S	S	*	*			trans	-62.8	109.3	158	-102.1	-83.4	0	0	0	108.2	D9 S13	D9-H11 PolarHBondContact O-N 3.2Å; H11-S13 PolarHBondContact O-N 2.78Å
12	L	42.2	Very low	38	Very low	115 Å²	115	126.5 Å²	126.5	60%	0.602	66%	0.659	S	S	*	*			trans	-52.1	127.9	165.1	-80.2	153.7	0	0	0	108.7	R10 D16	R10-L12 PolarHBondContact O-N 3.04Å; R10-L12 VanDerWaalsContact O-N 3.17Å; L12-D16 HydrophobicContact CD2-CB 4.07Å
13	S	50.4	Low	38.5	Very low	51 Å²	51	125 Å²	125	36%	0.357	65%	0.647	S	S	.	*			trans	-64.3	158.2	-178.5	74.4	0	0	0	0	110.6	H11 D15 D16 R17	H11-S13 PolarHBondContact O-N 2.78Å; S13-D15 PolarHBondContact O-N 2.02Å; S13-D16 WeakPolarHBondContact CB-OD2 3.46Å; S13-D16 PolarHBondContact N-OD2 3.24Å; S13-D16 PolarHBondContact O-N 3.34Å; S13-D16 PolarHBondContact OG-N 2.93Å; S13-D16 PolarHBondContact OG-OD2 2.89Å; S13-R17 PolarHBondContact O-N 3.32Å
14	L	43.5	Very low	39	Very low	140 Å²	140	122.3 Å²	122.3	73%	0.733	62%	0.621	S	S	*	*	H	α-helix	trans	-58.7	-36.5	176.2	-79.3	155.7	0	0	0	111.2	R17 E18	L14-R17 WeakPolarHBondContact O-CB 3.42Å; L14-R17 PolarHBondContact O-N 3Å; L14-E18 PolarHBondContact O-N 3.31Å
15	D	41.8	Very low	39.3	Very low	118 Å²	118	120.1 Å²	120.1	63%	0.631	61%	0.609	S	S	*	*	H	α-helix	trans	-66	-37.3	177.6	-61	-16.5	0	0	0	112.1	S13 R17 E18 A19	S13-D15 PolarHBondContact O-N 2.02Å; D15-R17 VanDerWaalsContact C-N 3.29Å; D15-R17 PolarHBondContact O-N 2.71Å; D15-E18 PolarHBondContact O-N 3.41Å; D15-A19 WeakPolarHBondContact O-CB 3.07Å; D15-A19 PolarHBondContact O-N 3.19Å
16	D	37.3	Very low	39.7	Very low	87 Å²	87	117 Å²	117	47%	0.465	60%	0.595	S	S	.	*	H	α-helix	trans	-68.5	-29.8	175.2	-64.4	-49.4	0	0	0	112.2	L12 S13 A20	L12-D16 HydrophobicContact CD2-CB 4.07Å; S13-D16 WeakPolarHBondContact CB-OD2 3.46Å; S13-D16 PolarHBondContact N-OD2 3.24Å; S13-D16 PolarHBondContact O-N 3.34Å; S13-D16 PolarHBondContact OG-N 2.93Å; S13-D16 PolarHBondContact OG-OD2 2.89Å; D16-A20 VanDerWaalsContact O-CB 3.29Å; D16-A20 WeakPolarHBondContact O-CB 3.36Å; D16-A20 PolarHBondContact O-N 3.08Å; D16-A20 VanDerWaalsContact O-N 3.07Å
17	R	40.7	Very low	40.5	Very low	148 Å²	148	112.3 Å²	112.3	56%	0.558	58%	0.58	S	S	*	*	H	α-helix	trans	-77.1	-37.8	176	-69.3	-179.7	176.3	-167.7	-2.4	111.9	S13 L14 D15 S21	S13-R17 PolarHBondContact O-N 3.32Å; L14-R17 WeakPolarHBondContact O-CB 3.42Å; L14-R17 PolarHBondContact O-N 3Å; D15-R17 VanDerWaalsContact C-N 3.29Å; D15-R17 PolarHBondContact O-N 2.71Å; R17-S21 VanDerWaalsContact O-CB 3.24Å; R17-S21 WeakPolarHBondContact O-CB 3.24Å; R17-S21 PolarHBondContact O-N 2.72Å
18	E	38.1	Very low	41.2	Very low	124 Å²	124	105.5 Å²	105.5	58%	0.579	56%	0.558	S	S	*	*	H	α-helix	trans	-65.7	-44.9	172.2	-105	176	152.4	0	0	111.1	L14 D15 A20 S21 D22	L14-E18 PolarHBondContact O-N 3.31Å; D15-E18 PolarHBondContact O-N 3.41Å; E18-A20 PolarHBondContact O-N 3.23Å; E18-S21 WeakPolarHBondContact O-CB 2.96Å; E18-S21 PolarHBondContact O-N 3.48Å; E18-S21 VanDerWaalsContact O-N 3.16Å; E18-D22 PolarHBondContact O-N 3.43Å
19	A	32.7	Very low	42.1	Very low	53 Å²	53	102 Å²	102	44%	0.438	54%	0.542	S	S	.	.	H	α-helix	trans	-62.9	-40.3	175.8	0	0	0	0	0	112.6	D15 D22 V23	D15-A19 WeakPolarHBondContact O-CB 3.07Å; D15-A19 PolarHBondContact O-N 3.19Å; A19-D22 PolarHBondContact O-N 3.01Å; A19-V23 VanDerWaalsContact O-CG2 3.26Å; A19-V23 WeakPolarHBondContact O-CG2 3.24Å; A19-V23 PolarHBondContact O-N 3.08Å; A19-V23 VanDerWaalsContact O-N 3.07Å
20	A	38.8	Very low	43.2	Very low	36 Å²	36	96.8 Å²	96.8	30%	0.298	52%	0.521	S	S	.	.	H	α-helix	trans	-66.6	-36.5	174.3	0	0	0	0	0	112.6	D16 E18 E24	D16-A20 VanDerWaalsContact O-CB 3.29Å; D16-A20 WeakPolarHBondContact O-CB 3.36Å; D16-A20 PolarHBondContact O-N 3.08Å; D16-A20 VanDerWaalsContact O-N 3.07Å; E18-A20 PolarHBondContact O-N 3.23Å; A20-E24 VanDerWaalsContact O-CB 3.28Å; A20-E24 WeakPolarHBondContact O-CB 3.49Å; A20-E24 PolarHBondContact O-N 2.94Å; A20-E24 VanDerWaalsContact O-N 3.12Å
21	S	43.9	Very low	44	Very low	64 Å²	64	87.7 Å²	87.7	45%	0.448	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-42.4	174.3	164	0	0	0	0	111.9	R17 E18 E24 A25	R17-S21 VanDerWaalsContact O-CB 3.24Å; R17-S21 WeakPolarHBondContact O-CB 3.24Å; R17-S21 PolarHBondContact O-N 2.72Å; E18-S21 WeakPolarHBondContact O-CB 2.96Å; E18-S21 PolarHBondContact O-N 3.48Å; E18-S21 VanDerWaalsContact O-N 3.16Å; S21-E24 PolarHBondContact O-N 3.48Å; S21-A25 VanDerWaalsContact O-CB 3.31Å; S21-A25 WeakPolarHBondContact O-CB 2.95Å; S21-A25 PolarHBondContact O-N 3.18Å
22	D	34.6	Very low	44.7	Very low	102 Å²	102	87.9 Å²	87.9	55%	0.545	49%	0.485	S	S	.	.	H	α-helix	trans	-70.5	-37.8	-179.9	-79.7	-12.2	0	0	0	112.4	E18 A19 E24 A25 T26	E18-D22 PolarHBondContact O-N 3.43Å; A19-D22 PolarHBondContact O-N 3.01Å; D22-E24 VanDerWaalsContact C-N 3.33Å; D22-A25 PolarHBondContact O-N 3.41Å; D22-T26 VanDerWaalsContact O-CB 3.31Å; D22-T26 WeakPolarHBondContact O-CB 3.27Å; D22-T26 PolarHBondContact O-N 3.25Å; D22-T26 PolarHBondContact O-OG1 3.09Å
23	V	47.8	Very low	45.5	Very low	105 Å²	105	86.6 Å²	86.6	64%	0.636	48%	0.479	S	S	*	.	H	α-helix	trans	-64.9	-40.1	173.2	172.4	0	0	0	0	110.8	A19 T26 A27	A19-V23 VanDerWaalsContact O-CG2 3.26Å; A19-V23 WeakPolarHBondContact O-CG2 3.24Å; A19-V23 PolarHBondContact O-N 3.08Å; A19-V23 VanDerWaalsContact O-N 3.07Å; V23-T26 PolarHBondContact O-N 3.2Å; V23-A27 WeakPolarHBondContact O-CB 3.38Å; V23-A27 PolarHBondContact O-N 2.88Å
24	E	44.2	Very low	45.9	Very low	66 Å²	66	88.2 Å²	88.2	31%	0.308	48%	0.478	S	S	.	.	H	α-helix	trans	-69.8	-39.6	178	-167.8	170.1	-177.8	0	0	112.1	A20 S21 D22 A27 Q28 R374	A20-E24 VanDerWaalsContact O-CB 3.28Å; A20-E24 WeakPolarHBondContact O-CB 3.49Å; A20-E24 PolarHBondContact O-N 2.94Å; A20-E24 VanDerWaalsContact O-N 3.12Å; S21-E24 PolarHBondContact O-N 3.48Å; D22-E24 VanDerWaalsContact C-N 3.33Å; E24-A27 PolarHBondContact O-N 3.12Å; E24-Q28 WeakPolarHBondContact O-CB 3.35Å; E24-Q28 WeakPolarHBondContact O-CG 3.48Å; E24-Q28 PolarHBondContact O-N 2.84Å; E24-R374 VanDerWaalsContact CD-NH2 3.26Å; E24-R374 IonicContact OE1-NH2 3.57Å; E24-R374 IonicContact OE2-CZ 3.48Å; E24-R374 IonicContact OE2-NH2 3.27Å; E24-R374 PolarHBondContact OE2-NH2 2.94Å
25	A	41.2	Very low	47.1	Very low	48 Å²	48	83.6 Å²	83.6	40%	0.397	46%	0.456	S	S	.	.	H	α-helix	trans	-64.9	-40.1	172.8	0	0	0	0	0	111.8	S21 D22 Q28 Q29	S21-A25 VanDerWaalsContact O-CB 3.31Å; S21-A25 WeakPolarHBondContact O-CB 2.95Å; S21-A25 PolarHBondContact O-N 3.18Å; D22-A25 PolarHBondContact O-N 3.41Å; A25-Q28 PolarHBondContact O-N 3.02Å; A25-Q29 VanDerWaalsContact O-CB 3.3Å; A25-Q29 WeakPolarHBondContact O-CB 3.34Å; A25-Q29 PolarHBondContact O-N 3.03Å
26	T	45.4	Very low	48.2	Very low	99 Å²	99	84.6 Å²	84.6	61%	0.607	46%	0.458	S	S	*	.	H	α-helix	trans	-68.1	-41	177.7	-53.6	0	0	0	0	111.7	D22 V23 Q29 G30	D22-T26 VanDerWaalsContact O-CB 3.31Å; D22-T26 WeakPolarHBondContact O-CB 3.27Å; D22-T26 PolarHBondContact O-N 3.25Å; D22-T26 PolarHBondContact O-OG1 3.09Å; V23-T26 PolarHBondContact O-N 3.2Å; T26-Q29 PolarHBondContact O-N 3.41Å; T26-G30 PolarHBondContact O-N 2.73Å
27	A	50.2	Low	49.6	Very low	63 Å²	63	84.1 Å²	84.1	52%	0.521	47%	0.473	S	S	.	.	H	α-helix	trans	-64.9	-41.3	174.1	0	0	0	0	0	111.9	V23 E24 Q29 V31	V23-A27 WeakPolarHBondContact O-CB 3.38Å; V23-A27 PolarHBondContact O-N 2.88Å; E24-A27 PolarHBondContact O-N 3.12Å; A27-Q29 VanDerWaalsContact C-N 3.34Å; A27-V31 WeakPolarHBondContact O-CG2 3.38Å; A27-V31 PolarHBondContact O-N 3.27Å; A27-V31 VanDerWaalsContact O-N 3.14Å
28	Q	50	Low	51.1	Low	90 Å²	90	78 Å²	78	42%	0.421	45%	0.451	S	S	.	.	H	α-helix	trans	-66.7	-34.4	174.4	-73.4	178	21.9	0	0	112.5	E24 A25 R32	E24-Q28 WeakPolarHBondContact O-CB 3.35Å; E24-Q28 WeakPolarHBondContact O-CG 3.48Å; E24-Q28 PolarHBondContact O-N 2.84Å; A25-Q28 PolarHBondContact O-N 3.02Å; Q28-R32 WeakPolarHBondContact O-CB 3.41Å; Q28-R32 VanDerWaalsContact O-CG 3.25Å; Q28-R32 WeakPolarHBondContact O-CG 3.41Å; Q28-R32 PolarHBondContact O-N 2.97Å
29	Q	50.2	Low	52.8	Low	103 Å²	103	75.4 Å²	75.4	48%	0.481	44%	0.444	S	S	.	.	H	α-helix	trans	-68.4	-45.3	176.1	-167	66.3	30.4	0	0	111.4	A25 T26 A27 V31 R32 D33	A25-Q29 VanDerWaalsContact O-CB 3.3Å; A25-Q29 WeakPolarHBondContact O-CB 3.34Å; A25-Q29 PolarHBondContact O-N 3.03Å; T26-Q29 PolarHBondContact O-N 3.41Å; A27-Q29 VanDerWaalsContact C-N 3.34Å; Q29-V31 VanDerWaalsContact C-N 3.32Å; Q29-V31 PolarHBondContact O-N 3.28Å; Q29-R32 PolarHBondContact O-N 3.44Å; Q29-R32 VanDerWaalsContact O-N 3.13Å; Q29-D33 PolarHBondContact NE2-OD1 3.5Å; Q29-D33 PolarHBondContact O-N 3.46Å
30	G	54.5	Low	54.8	Low	30 Å²	30	77.9 Å²	77.9	31%	0.309	45%	0.447	S	S	.	.	H	α-helix	trans	-63	-34.7	176.4	0	0	0	0	0	113.7	T26	T26-G30 PolarHBondContact O-N 2.73Å
31	V	54.8	Low	56.7	Low	40 Å²	40	81.5 Å²	81.5	24%	0.242	47%	0.467	C	S	.	.	H	α-helix	trans	-67.3	-45.5	171.5	172.9	0	0	0	0	110.6	A27 Q29 D33 W34 C35	A27-V31 WeakPolarHBondContact O-CG2 3.38Å; A27-V31 PolarHBondContact O-N 3.27Å; A27-V31 VanDerWaalsContact O-N 3.14Å; Q29-V31 VanDerWaalsContact C-N 3.32Å; Q29-V31 PolarHBondContact O-N 3.28Å; V31-D33 PolarHBondContact O-N 2.86Å; V31-W34 PolarHBondContact O-N 3.12Å; V31-W34 VanDerWaalsContact O-N 3.15Å; V31-C35 PolarHBondContact O-N 3.14Å; V31-C35 PolarHBondContact O-SG 2.97Å
32	R	56.1	Low	58.4	Low	163 Å²	163	83 Å²	83	62%	0.615	47%	0.47	S	S	*	.	H	α-helix	trans	-62.9	-38.5	-179.7	-77.5	174.1	-176.9	-129.6	3.8	113.6	Q28 Q29 W34 C35	Q28-R32 WeakPolarHBondContact O-CB 3.41Å; Q28-R32 VanDerWaalsContact O-CG 3.25Å; Q28-R32 WeakPolarHBondContact O-CG 3.41Å; Q28-R32 PolarHBondContact O-N 2.97Å; Q29-R32 PolarHBondContact O-N 3.44Å; Q29-R32 VanDerWaalsContact O-N 3.13Å; R32-W34 PolarHBondContact O-N 2.74Å; R32-C35 WeakPolarHBondContact O-CB 3.29Å; R32-C35 PolarHBondContact O-N 2.97Å
33	D	58.4	Low	60.7	Low	89 Å²	89	79 Å²	79	48%	0.476	45%	0.448	S	S	.	.	H	α-helix	trans	-64.7	-24.3	177.8	-69.8	-16.3	0	0	0	111.8	Q29 V31	Q29-D33 PolarHBondContact NE2-OD1 3.5Å; Q29-D33 PolarHBondContact O-N 3.46Å; V31-D33 PolarHBondContact O-N 2.86Å
34	W	59.8	Low	62.1	Low	84 Å²	84	76.9 Å²	76.9	32%	0.318	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.6	174.2	-62.4	-6	0	0	0	113.4	V31 R32 Q36 L60 W62 H325 L326	V31-W34 PolarHBondContact O-N 3.12Å; V31-W34 VanDerWaalsContact O-N 3.15Å; R32-W34 PolarHBondContact O-N 2.74Å; W34-Q36 PolarHBondContact O-N 3.26Å; W34-L60 HydrophobicContact CD2-CD2 4.17Å; W34-L60 HydrophobicContact CE3-CD2 4.16Å; W34-L60 HydrophobicContact CZ3-CD2 4.35Å; W34-W62 HydrophobicContact CE3-CZ3 4.31Å; W34-W62 HydrophobicContact CZ3-CE3 4.42Å; W34-W62 HydrophobicContact CZ3-CZ3 4.23Å; W34-H325 PolarHBondContact O-CD2 2.98Å; W34-H325 PolarHBondContact O-CE1 3.45Å; W34-H325 PolarHBondContact O-NE2 2.87Å; W34-L326 HydrophobicContact CB-CD2 4.3Å; W34-L326 HydrophobicContact CE3-CD2 3.96Å
35	C	69.1	Low	63.7	Low	43 Å²	43	78.3 Å²	78.3	29%	0.291	45%	0.447	S	S	.	.			trans	-85.9	25.4	-177.5	-52.4	0	0	0	0	114	V31 R32 C322	V31-C35 PolarHBondContact O-N 3.14Å; V31-C35 PolarHBondContact O-SG 2.97Å; R32-C35 WeakPolarHBondContact O-CB 3.29Å; R32-C35 PolarHBondContact O-N 2.97Å; C35-C322 HydrophobicContact CB-CB 3.92Å; C35-C322 WeakPolarHBondContact CB-SG 3.45Å; C35-C322 WeakPolarHBondContact SG-CB 3.4Å; C35-C322 CovalentContact SG-SG 1.98Å; C35-C322 PolarHBondContact SG-SG 2.97Å
36	Q	64.9	Low	65.6	Low	140 Å²	140	81.9 Å²	81.9	65%	0.654	46%	0.464	S	S	*	.			trans	-70.1	145.4	179.6	-63.9	-174.9	6.8	0	0	110.7	W34 L38 H325	W34-Q36 PolarHBondContact O-N 3.26Å; Q36-L38 PolarHBondContact O-N 3.29Å; Q36-H325 PolarHBondContact O-CE1 2.72Å; Q36-H325 PolarHBondContact O-ND1 2.91Å
37	G	65.8	Low	67.5	Low	76 Å²	76	78.7 Å²	78.7	78%	0.784	44%	0.443	S	S	*	.			trans	-61.7	100.4	-173.3	0	0	0	0	0	113.2
38	L	72.3	Confident	69.3	Low	19 Å²	19	81.5 Å²	81.5	10%	0.099	45%	0.445	C	S	.	.			trans	-67.8	145.4	171.6	-86.3	165.9	0	0	0	112	Q36 D42 F43 H325 R329 Y344	Q36-L38 PolarHBondContact O-N 3.29Å; L38-D42 WeakPolarHBondContact CA-OD2 3.29Å; L38-D42 HydrophobicContact CD2-CB 3.4Å; L38-D42 VanDerWaalsContact CD2-CB 3.4Å; L38-F43 HydrophobicContact CD1-CZ 4.04Å; L38-F43 HydrophobicContact CD2-CE2 4.24Å; L38-F43 HydrophobicContact CD2-CZ 4.18Å; L38-H325 HydrophobicContact CD1-CB 4.11Å; L38-H325 WeakPolarHBondContact CD1-CE1 3.47Å; L38-H325 VanDerWaalsContact CD1-CG 3.4Å; L38-H325 WeakPolarHBondContact CD1-ND1 3.24Å; L38-H325 WeakPolarHBondContact CG-CE1 3.39Å; L38-H325 WeakPolarHBondContact CG-ND1 3.47Å; L38-R329 HydrophobicContact CD1-CG 3.96Å; L38-Y344 PolarHBondContact O-OH 2.5Å
39	T	75.1	Confident	71.3	Confident	71 Å²	71	82.4 Å²	82.4	44%	0.436	45%	0.445	S	S	.	.			trans	-130.9	162.8	172.7	59.4	0	0	0	0	109.4	P41 D42	T39-P41 VanDerWaalsContact C-N 3.31Å; T39-P41 WeakPolarHBondContact OG1-CD 3.33Å; T39-D42 PolarHBondContact N-OD2 2.55Å; T39-D42 WeakPolarHBondContact O-CB 3.35Å; T39-D42 PolarHBondContact O-N 3.4Å; T39-D42 VanDerWaalsContact O-N 3.09Å; T39-D42 PolarHBondContact OG1-OD2 2.8Å; T39-D42 VanDerWaalsContact OG1-OD2 3.04Å
40	E	73.8	Confident	73.4	Confident	105 Å²	105	82.9 Å²	82.9	49%	0.491	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-53.5	-38.9	178.5	-171.8	166.4	-142.6	0	0	114.2	D42 F43 Y344 T345	E40-D42 PolarHBondContact O-N 2.78Å; E40-D42 VanDerWaalsContact O-N 3.1Å; E40-F43 PolarHBondContact O-N 2.81Å; E40-F43 VanDerWaalsContact O-N 3.15Å; E40-Y344 HydrophobicContact CB-CD1 3.58Å; E40-Y344 HydrophobicContact CB-CE1 4.03Å; E40-Y344 HydrophobicContact CB-CG 4.16Å; E40-Y344 HydrophobicContact CG-CD1 4.04Å; E40-Y344 HydrophobicContact CG-CG 4.39Å; E40-T345 PolarHBondContact OE1-OG1 3.34Å
41	P	78	Confident	75.3	Confident	112 Å²	112	81.7 Å²	81.7	73%	0.727	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-59.5	-17.9	175.9	-27	36.4	0	0	0	116.1	T39 F43	T39-P41 VanDerWaalsContact C-N 3.31Å; T39-P41 WeakPolarHBondContact OG1-CD 3.33Å; P41-F43 PolarHBondContact O-N 3.39Å
42	D	80	Confident	77.1	Confident	94 Å²	94	79.8 Å²	79.8	50%	0.503	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-73.2	-10.4	178.8	-60.2	-49.4	0	0	0	112.5	L38 T39 E40	L38-D42 WeakPolarHBondContact CA-OD2 3.29Å; L38-D42 HydrophobicContact CD2-CB 3.4Å; L38-D42 VanDerWaalsContact CD2-CB 3.4Å; T39-D42 PolarHBondContact N-OD2 2.55Å; T39-D42 WeakPolarHBondContact O-CB 3.35Å; T39-D42 PolarHBondContact O-N 3.4Å; T39-D42 VanDerWaalsContact O-N 3.09Å; T39-D42 PolarHBondContact OG1-OD2 2.8Å; T39-D42 VanDerWaalsContact OG1-OD2 3.04Å; E40-D42 PolarHBondContact O-N 2.78Å; E40-D42 VanDerWaalsContact O-N 3.1Å
43	F	82.8	Confident	78.5	Confident	20 Å²	20	74.3 Å²	74.3	9%	0.088	40%	0.403	C	S	.	.	S	Bend	trans	-104.2	92.5	178	-58	-82.9	0	0	0	110.3	L38 E40 P41 L328 R329 Y332 W338 Y344	L38-F43 HydrophobicContact CD1-CZ 4.04Å; L38-F43 HydrophobicContact CD2-CE2 4.24Å; L38-F43 HydrophobicContact CD2-CZ 4.18Å; E40-F43 PolarHBondContact O-N 2.81Å; E40-F43 VanDerWaalsContact O-N 3.15Å; P41-F43 PolarHBondContact O-N 3.39Å; F43-L328 HydrophobicContact CE1-CB 4.43Å; F43-L328 HydrophobicContact CZ-CB 3.92Å; F43-R329 HydrophobicContact CE1-CG 4.44Å; F43-Y332 HydrophobicContact CB-CD2 4Å; F43-Y332 HydrophobicContact CB-CE2 3.98Å; F43-Y332 HydrophobicContact CD1-CD1 4.26Å; F43-Y332 AromaticContact CD1-CD2 3.68Å; F43-Y332 HydrophobicContact CD1-CD2 3.68Å; F43-Y332 HydrophobicContact CD1-CE2 4.36Å; F43-Y332 AromaticContact CD1-CG 3.64Å; F43-Y332 HydrophobicContact CD1-CG 3.64Å; F43-Y332 HydrophobicContact CE1-CG 4.3Å; F43-Y332 HydrophobicContact CG-CD2 4.28Å; F43-W338 HydrophobicContact CB-CZ2 3.92Å; F43-W338 AromaticContact CD1-CH2 3.67Å; F43-W338 HydrophobicContact CD1-CH2 3.67Å; F43-W338 AromaticContact CD1-CZ2 3.7Å; F43-W338 HydrophobicContact CD1-CZ2 3.7Å; F43-W338 HydrophobicContact CD2-CH2 4.16Å; F43-W338 HydrophobicContact CD2-CZ2 4.02Å; F43-W338 AromaticContact CE1-CH2 3.65Å; F43-W338 HydrophobicContact CE1-CH2 3.65Å; F43-W338 HydrophobicContact CE1-CZ2 4.17Å; F43-W338 HydrophobicContact CE1-CZ3 4.34Å; F43-W338 HydrophobicContact CE2-CH2 4.18Å; F43-W338 HydrophobicContact CE2-CZ2 4.49Å; F43-W338 AromaticContact CG-CH2 3.91Å; F43-W338 HydrophobicContact CG-CH2 3.91Å; F43-W338 AromaticContact CG-CZ2 3.59Å; F43-W338 HydrophobicContact CG-CZ2 3.59Å; F43-W338 AromaticContact CZ-CH2 3.91Å; F43-W338 HydrophobicContact CZ-CH2 3.91Å; F43-Y344 AromaticContact CD2-CD2 3.92Å; F43-Y344 HydrophobicContact CD2-CD2 3.92Å; F43-Y344 HydrophobicContact CD2-CG 4.32Å; F43-Y344 AromaticContact CE2-CD2 3.3Å; F43-Y344 HydrophobicContact CE2-CD2 3.3Å; F43-Y344 AromaticContact CE2-CE2 3.81Å; F43-Y344 HydrophobicContact CE2-CE2 3.81Å; F43-Y344 HydrophobicContact CE2-CG 4.14Å; F43-Y344 HydrophobicContact CZ-CD2 4.06Å
44	S	78.4	Confident	79.1	Confident	60 Å²	60	71 Å²	71	42%	0.42	39%	0.389	S	S	.	.			trans	-80.8	126.9	-176.4	-178.9	0	0	0	0	112.9	V46 Y332	S44-V46 PolarHBondContact O-N 3.19Å; S44-V46 VanDerWaalsContact O-N 3.09Å; S44-V46 WeakPolarHBondContact OG-CB 3.39Å; S44-V46 WeakPolarHBondContact OG-CG2 3.46Å; S44-V46 PolarHBondContact OG-N 3.06Å; S44-Y332 PolarHBondContact O-OH 3.06Å
45	D	76	Confident	79.7	Confident	96 Å²	96	69.4 Å²	69.4	51%	0.513	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	15.2	174.4	-67.8	-34.7	0	0	0	114.1	Q48 R52	D45-Q48 PolarHBondContact O-NE2 2.91Å; D45-R52 IonicContact OD1-NH2 3.88Å
46	V	82.3	Confident	79.5	Confident	122 Å²	122	73 Å²	73	74%	0.739	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-33	-179.9	177.3	0	0	0	0	111.9	S44 Q48	S44-V46 PolarHBondContact O-N 3.19Å; S44-V46 VanDerWaalsContact O-N 3.09Å; S44-V46 WeakPolarHBondContact OG-CB 3.39Å; S44-V46 WeakPolarHBondContact OG-CG2 3.46Å; S44-V46 PolarHBondContact OG-N 3.06Å; V46-Q48 PolarHBondContact O-N 3.47Å
47	D	84.3	Confident	79.8	Confident	33 Å²	33	67.6 Å²	67.6	18%	0.176	39%	0.391	C	S	.	.			trans	-78.2	105.7	176.8	-168.6	-4.8	0	0	0	111.3	R49 R52	D47-R49 VanDerWaalsContact OD1-CB 3.32Å; D47-R49 WeakPolarHBondContact OD1-CB 3.48Å; D47-R49 WeakPolarHBondContact OD1-CG 3.46Å; D47-R49 IonicContact OD1-CZ 2.94Å; D47-R49 PolarHBondContact OD1-N 2.87Å; D47-R49 VanDerWaalsContact OD1-N 3.09Å; D47-R49 IonicContact OD1-NE 2.97Å; D47-R49 PolarHBondContact OD1-NE 2.94Å; D47-R49 IonicContact OD1-NH2 3.46Å; D47-R49 IonicContact OD2-CZ 3.56Å; D47-R49 VanDerWaalsContact OD2-CZ 3.29Å; D47-R49 IonicContact OD2-NE 3.06Å; D47-R49 PolarHBondContact OD2-NE 3.27Å; D47-R49 VanDerWaalsContact OD2-NE 3.12Å; D47-R49 IonicContact OD2-NH2 3.04Å; D47-R49 PolarHBondContact OD2-NH2 2.82Å; D47-R52 HydrophobicContact CB-CG 4.23Å; D47-R52 PolarHBondContact O-NE 3.42Å
48	Q	88.9	Confident	79.8	Confident	121 Å²	121	70.2 Å²	70.2	57%	0.565	38%	0.383	S	S	*	.			trans	-88.7	-1.5	-176.5	-67.1	-61.6	-41	0	0	114	D45 V46 K335	D45-Q48 PolarHBondContact O-NE2 2.91Å; V46-Q48 PolarHBondContact O-N 3.47Å; Q48-K335 PolarHBondContact O-NZ 3.2Å
49	R	92.3	Very high	79.5	Confident	109 Å²	109	75 Å²	75	41%	0.411	41%	0.405	S	S	.	.	S	Bend	trans	-61.5	150.1	176.2	-68.1	177.9	-71.4	-178.9	-0.6	110.7	D47 I51 I53 G54 K335	D47-R49 VanDerWaalsContact OD1-CB 3.32Å; D47-R49 WeakPolarHBondContact OD1-CB 3.48Å; D47-R49 WeakPolarHBondContact OD1-CG 3.46Å; D47-R49 IonicContact OD1-CZ 2.94Å; D47-R49 PolarHBondContact OD1-N 2.87Å; D47-R49 VanDerWaalsContact OD1-N 3.09Å; D47-R49 IonicContact OD1-NE 2.97Å; D47-R49 PolarHBondContact OD1-NE 2.94Å; D47-R49 IonicContact OD1-NH2 3.46Å; D47-R49 IonicContact OD2-CZ 3.56Å; D47-R49 VanDerWaalsContact OD2-CZ 3.29Å; D47-R49 IonicContact OD2-NE 3.06Å; D47-R49 PolarHBondContact OD2-NE 3.27Å; D47-R49 VanDerWaalsContact OD2-NE 3.12Å; D47-R49 IonicContact OD2-NH2 3.04Å; D47-R49 PolarHBondContact OD2-NH2 2.82Å; R49-I51 VanDerWaalsContact C-N 3.31Å; R49-I51 WeakPolarHBondContact CB-O 3.31Å; R49-I53 VanDerWaalsContact NH1-CG1 3.27Å; R49-G54 VanDerWaalsContact NH2-CA 3.3Å; R49-K335 WeakPolarHBondContact O-CB 3.24Å; R49-K335 VanDerWaalsContact O-CD 3.27Å; R49-K335 WeakPolarHBondContact O-CD 3.3Å
50	K	94.4	Very high	79.2	Confident	113 Å²	113	72.5 Å²	72.5	49%	0.491	39%	0.388	S	S	.	.	S	Bend	trans	-63.7	-41.4	174.3	-64.2	-175.3	174.9	-178	0	111.2	A75 K335	K50-A75 HydrophobicContact CB-CB 3.94Å; K50-A75 HydrophobicContact CD-CB 4.1Å; K50-A75 VanDerWaalsContact CD-O 3.22Å; K50-A75 WeakPolarHBondContact CD-O 3.42Å; K50-A75 PolarHBondContact NZ-O 2.7Å; K50-K335 VanDerWaalsContact O-CB 3.3Å; K50-K335 WeakPolarHBondContact O-CB 3.49Å; K50-K335 PolarHBondContact O-N 3.14Å; K50-K335 VanDerWaalsContact O-N 3.07Å
51	I	94.9	Very high	79.5	Confident	5 Å²	5	74.9 Å²	74.9	3%	0.026	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-111.5	114.8	172.7	-51.7	-51.7	0	0	0	108.2	R49 I53 M71 E72 A75 V147 V333	R49-I51 VanDerWaalsContact C-N 3.31Å; R49-I51 WeakPolarHBondContact CB-O 3.31Å; I51-I53 HydrophobicContact CG2-CG2 4.09Å; I51-M71 HydrophobicContact CD1-CB 3.88Å; I51-M71 HydrophobicContact CD1-CE 4.21Å; I51-M71 HydrophobicContact CG1-CB 4.01Å; I51-M71 HydrophobicContact CG2-CB 4.33Å; I51-E72 HydrophobicContact CB-CG 4.14Å; I51-E72 HydrophobicContact CG1-CG 4.02Å; I51-A75 HydrophobicContact CD1-CB 3.8Å; I51-A75 HydrophobicContact CG1-CB 4.2Å; I51-V147 HydrophobicContact CD1-CG1 4.01Å; I51-V333 CarbonylContact C-O 3.55Å; I51-V333 WeakPolarHBondContact CA-O 3.35Å; I51-V333 HydrophobicContact CG2-CG1 3.66Å
52	R	92.6	Very high	80	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.37	C	S	.	.			trans	-92.1	109.7	-174.9	-56.8	-178	-179.2	134.2	-13.8	110.2	D45 D47 L57 Y332 V333 K335 E339	D45-R52 IonicContact OD1-NH2 3.88Å; D47-R52 HydrophobicContact CB-CG 4.23Å; D47-R52 PolarHBondContact O-NE 3.42Å; R52-L57 HydrophobicContact CB-CD1 4.43Å; R52-L57 WeakPolarHBondContact O-CD1 3.45Å; R52-Y332 HydrophobicContact CB-CE1 4.36Å; R52-Y332 VanDerWaalsContact CD-CZ 3.43Å; R52-Y332 WeakPolarHBondContact CD-O 3.24Å; R52-Y332 WeakPolarHBondContact CD-OH 2.98Å; R52-Y332 VanDerWaalsContact NH1-CD2 3.32Å; R52-Y332 PolarHBondContact NH1-O 3.15Å; R52-V333 PolarHBondContact N-O 2.88Å; R52-K335 HydrophobicContact CG-CB 4.47Å; R52-E339 IonicContact NH2-OE1 2.62Å; R52-E339 PolarHBondContact NH2-OE1 3.22Å; R52-E339 VanDerWaalsContact NH2-OE1 3.11Å
53	I	83.8	Confident	80.6	Confident	48 Å²	48	67.6 Å²	67.6	25%	0.246	35%	0.352	C	S	.	.			trans	-123.5	23.1	-178.8	60.4	175.2	0	0	0	112.2	R49 I51 Q58 I68	R49-I53 VanDerWaalsContact NH1-CG1 3.27Å; I51-I53 HydrophobicContact CG2-CG2 4.09Å; I53-Q58 WeakPolarHBondContact O-CG 3.38Å; I53-Q58 PolarHBondContact O-NE2 2.95Å; I53-I68 HydrophobicContact CD1-CG2 4.32Å; I53-I68 HydrophobicContact CG2-CD1 4.18Å; I53-I68 HydrophobicContact CG2-CG1 4.4Å; I53-I68 HydrophobicContact CG2-CG2 4.11Å
54	G	71.9	Confident	81.1	Confident	19 Å²	19	69.3 Å²	69.3	20%	0.196	37%	0.366	C	S	.	.			trans	-98.4	163.6	-175.4	0	0	0	0	0	114	R49 L57	R49-G54 VanDerWaalsContact NH2-CA 3.3Å; G54-L57 WeakPolarHBondContact O-CB 3.42Å; G54-L57 PolarHBondContact O-N 2.94Å
55	G	72.8	Confident	81.8	Confident	51 Å²	51	75.7 Å²	75.7	53%	0.526	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	62.7	-137	171.5	0	0	0	0	0	113.3	L57 Q58	G55-L57 PolarHBondContact O-N 3.06Å; G55-Q58 WeakPolarHBondContact O-CB 3.4Å; G55-Q58 PolarHBondContact O-N 3.25Å
56	D	65.3	Low	82.7	Confident	118 Å²	118	74.9 Å²	74.9	63%	0.631	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-60.3	-19.2	-177.4	-65.5	-16.3	0	0	0	114	Q58 H59	D56-Q58 VanDerWaalsContact C-N 3.26Å; D56-Q58 PolarHBondContact O-N 2.96Å; D56-H59 PolarHBondContact O-N 2.87Å
57	L	71.1	Confident	83.4	Confident	28 Å²	28	69.2 Å²	69.2	15%	0.147	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-70.2	-22.6	176.4	-57.7	175	0	0	0	112.8	R52 G54 G55 H59 L60 R329 Y332 V333	R52-L57 HydrophobicContact CB-CD1 4.43Å; R52-L57 WeakPolarHBondContact O-CD1 3.45Å; G54-L57 WeakPolarHBondContact O-CB 3.42Å; G54-L57 PolarHBondContact O-N 2.94Å; G55-L57 PolarHBondContact O-N 3.06Å; L57-H59 PolarHBondContact O-N 3.08Å; L57-L60 HydrophobicContact CD2-CD1 3.66Å; L57-L60 WeakPolarHBondContact O-CB 3.33Å; L57-L60 PolarHBondContact O-N 3.11Å; L57-L60 VanDerWaalsContact O-N 3.1Å; L57-R329 HydrophobicContact CD2-CB 4.13Å; L57-Y332 HydrophobicContact CD1-CD1 3.74Å; L57-Y332 HydrophobicContact CD1-CE1 3.82Å; L57-V333 HydrophobicContact CD1-CG2 4.24Å
58	Q	65.2	Low	84	Confident	130 Å²	130	69.5 Å²	69.5	61%	0.607	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-64.7	-23.1	178.7	-68.5	-177.8	4.8	0	0	112.9	I53 G55 D56 L60	I53-Q58 WeakPolarHBondContact O-CG 3.38Å; I53-Q58 PolarHBondContact O-NE2 2.95Å; G55-Q58 WeakPolarHBondContact O-CB 3.4Å; G55-Q58 PolarHBondContact O-N 3.25Å; D56-Q58 VanDerWaalsContact C-N 3.26Å; D56-Q58 PolarHBondContact O-N 2.96Å; Q58-L60 VanDerWaalsContact C-N 3.32Å
59	H	66.7	Low	84.3	Confident	121 Å²	121	68.1 Å²	68.1	56%	0.56	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-86.1	-4.7	178.5	-60.9	-64.7	0	0	0	113.1	D56 L57 H61	D56-H59 PolarHBondContact O-N 2.87Å; L57-H59 PolarHBondContact O-N 3.08Å; H59-H61 PolarHBondContact O-CD2 3.42Å; H59-H61 VanDerWaalsContact O-CD2 3.27Å
60	L	68.4	Low	84.5	Confident	17 Å²	17	64.4 Å²	64.4	9%	0.089	32%	0.323	C	S	.	.			trans	-97.9	105.4	-174.6	-56.1	172.1	0	0	0	109.7	W34 L57 Q58 W62 R329	W34-L60 HydrophobicContact CD2-CD2 4.17Å; W34-L60 HydrophobicContact CE3-CD2 4.16Å; W34-L60 HydrophobicContact CZ3-CD2 4.35Å; L57-L60 HydrophobicContact CD2-CD1 3.66Å; L57-L60 WeakPolarHBondContact O-CB 3.33Å; L57-L60 PolarHBondContact O-N 3.11Å; L57-L60 VanDerWaalsContact O-N 3.1Å; Q58-L60 VanDerWaalsContact C-N 3.32Å; L60-W62 HydrophobicContact CB-CD2 4.12Å; L60-W62 HydrophobicContact CB-CE3 3.88Å; L60-W62 HydrophobicContact CB-CH2 3.61Å; L60-W62 HydrophobicContact CB-CZ2 3.78Å; L60-W62 HydrophobicContact CB-CZ3 3.61Å; L60-W62 HydrophobicContact CD1-CH2 3.39Å; L60-W62 HydrophobicContact CD1-CZ2 3.65Å; L60-W62 HydrophobicContact CD1-CZ3 4.15Å; L60-W62 HydrophobicContact CD2-CH2 3.65Å; L60-W62 HydrophobicContact CD2-CZ3 3.57Å; L60-W62 HydrophobicContact CG-CH2 3.68Å; L60-W62 HydrophobicContact CG-CZ2 4.16Å; L60-W62 HydrophobicContact CG-CZ3 3.92Å; L60-W62 PolarHBondContact O-N 2.9Å; L60-R329 HydrophobicContact CD1-CB 3.96Å; L60-R329 HydrophobicContact CD1-CG 4.38Å
61	H	78.5	Confident	84.7	Confident	156 Å²	156	59 Å²	59	72%	0.722	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	21	-167.7	-62.5	-69.9	0	0	0	115.4	H59	H59-H61 PolarHBondContact O-CD2 3.42Å; H59-H61 VanDerWaalsContact O-CD2 3.27Å
62	W	88.9	Confident	84.7	Confident	31 Å²	31	63 Å²	63	12%	0.117	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-25.2	-178.2	54.8	77	0	0	0	114.5	W34 L60 R136 V137 L326 R329 S330	W34-W62 HydrophobicContact CE3-CZ3 4.31Å; W34-W62 HydrophobicContact CZ3-CE3 4.42Å; W34-W62 HydrophobicContact CZ3-CZ3 4.23Å; L60-W62 HydrophobicContact CB-CD2 4.12Å; L60-W62 HydrophobicContact CB-CE3 3.88Å; L60-W62 HydrophobicContact CB-CH2 3.61Å; L60-W62 HydrophobicContact CB-CZ2 3.78Å; L60-W62 HydrophobicContact CB-CZ3 3.61Å; L60-W62 HydrophobicContact CD1-CH2 3.39Å; L60-W62 HydrophobicContact CD1-CZ2 3.65Å; L60-W62 HydrophobicContact CD1-CZ3 4.15Å; L60-W62 HydrophobicContact CD2-CH2 3.65Å; L60-W62 HydrophobicContact CD2-CZ3 3.57Å; L60-W62 HydrophobicContact CG-CH2 3.68Å; L60-W62 HydrophobicContact CG-CZ2 4.16Å; L60-W62 HydrophobicContact CG-CZ3 3.92Å; L60-W62 PolarHBondContact O-N 2.9Å; W62-R136 HydrophobicContact CB-CB 4.49Å; W62-R136 WeakPolarHBondContact CB-O 3.43Å; W62-V137 HydrophobicContact CD2-CG2 4.21Å; W62-V137 HydrophobicContact CG-CG2 4.24Å; W62-L326 HydrophobicContact CE3-CD2 4.47Å; W62-L326 HydrophobicContact CH2-CB 4.32Å; W62-L326 HydrophobicContact CH2-CD2 3.96Å; W62-L326 WeakPolarHBondContact CZ2-O 3.14Å; W62-L326 HydrophobicContact CZ3-CB 4.36Å; W62-L326 HydrophobicContact CZ3-CD2 3.52Å; W62-R329 HydrophobicContact CH2-CB 4.08Å; W62-R329 HydrophobicContact CZ2-CB 3.97Å; W62-S330 VanDerWaalsContact NE1-CB 3.33Å; W62-S330 PolarHBondContact NE1-OG 3.05Å
63	L	93.6	Very high	85	Confident	22 Å²	22	63.5 Å²	63.5	12%	0.115	32%	0.321	C	S	.	.	S	Bend	trans	-88.6	124.4	169.1	-67.5	174.8	0	0	0	108.9	D67 I68 M71 F132 R136 V333	L63-D67 HydrophobicContact CB-CB 4.4Å; L63-D67 HydrophobicContact CD2-CB 4.15Å; L63-I68 HydrophobicContact CB-CG1 4.21Å; L63-M71 HydrophobicContact CD1-SD 4.16Å; L63-M71 HydrophobicContact CD2-SD 4.36Å; L63-F132 HydrophobicContact CD2-CE1 4.07Å; L63-F132 HydrophobicContact CD2-CZ 3.79Å; L63-R136 HydrophobicContact CD2-CB 4.22Å; L63-R136 HydrophobicContact CD2-CG 3.98Å; L63-V333 HydrophobicContact CD1-CB 4.37Å; L63-V333 HydrophobicContact CD1-CG1 3.94Å; L63-V333 HydrophobicContact CD1-CG2 4.11Å
64	S	93.8	Very high	85.6	Confident	55 Å²	55	61.3 Å²	61.3	39%	0.385	31%	0.31	S	S	.	.			trans	-72.2	164.3	172.3	70	0	0	0	0	110.9	D66 D67 I68	S64-D66 PolarHBondContact O-N 3.2Å; S64-D67 WeakPolarHBondContact CB-OD2 3.31Å; S64-D67 PolarHBondContact N-OD2 3.11Å; S64-D67 WeakPolarHBondContact O-CB 3.42Å; S64-D67 PolarHBondContact O-N 3.5Å; S64-D67 PolarHBondContact OG-N 3.32Å; S64-D67 PolarHBondContact OG-OD2 2.92Å; S64-I68 WeakPolarHBondContact O-CG1 3.49Å; S64-I68 PolarHBondContact O-N 3.17Å; S64-I68 VanDerWaalsContact O-N 3.13Å
65	R	92.9	Very high	86.8	Confident	195 Å²	195	60.6 Å²	60.6	74%	0.736	30%	0.303	S	S	*	.	H	α-helix	trans	-56.8	-40.5	171.4	179.1	178.4	169.8	176.6	-1.7	111.8	D67 I68 E69	R65-D67 VanDerWaalsContact C-N 3.34Å; R65-I68 PolarHBondContact O-N 3.33Å; R65-E69 HydrophobicContact CG-CG 4.46Å; R65-E69 IonicContact CZ-OE1 3.92Å; R65-E69 IonicContact NE-OE1 3.72Å; R65-E69 PolarHBondContact NE-OE1 3.37Å; R65-E69 IonicContact NH2-OE1 2.62Å; R65-E69 PolarHBondContact NH2-OE1 2.86Å; R65-E69 WeakPolarHBondContact O-CG 3.38Å; R65-E69 PolarHBondContact O-N 2.66Å
66	D	94.9	Very high	87.9	Confident	79 Å²	79	59.7 Å²	59.7	42%	0.422	29%	0.293	S	S	.	.	H	α-helix	trans	-65.4	-36.7	178.7	-177.5	66.5	0	0	0	112.2	S64 K70	S64-D66 PolarHBondContact O-N 3.2Å; D66-K70 WeakPolarHBondContact O-CB 3.41Å; D66-K70 WeakPolarHBondContact O-CG 3.4Å; D66-K70 PolarHBondContact O-N 3.34Å; D66-K70 VanDerWaalsContact O-N 3.08Å; D66-K70 IonicContact OD1-NZ 3.75Å; D66-K70 PolarHBondContact OD1-NZ 3.32Å; D66-K70 IonicContact OD2-NZ 3.61Å; D66-K70 PolarHBondContact OD2-NZ 3.1Å
67	D	97.1	Very high	89.3	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-49.2	171.8	-67.4	-49.5	0	0	0	111.1	L63 S64 R65 K70 M71 F132 R136	L63-D67 HydrophobicContact CB-CB 4.4Å; L63-D67 HydrophobicContact CD2-CB 4.15Å; S64-D67 WeakPolarHBondContact CB-OD2 3.31Å; S64-D67 PolarHBondContact N-OD2 3.11Å; S64-D67 WeakPolarHBondContact O-CB 3.42Å; S64-D67 PolarHBondContact O-N 3.5Å; S64-D67 PolarHBondContact OG-N 3.32Å; S64-D67 PolarHBondContact OG-OD2 2.92Å; R65-D67 VanDerWaalsContact C-N 3.34Å; D67-K70 PolarHBondContact O-N 2.9Å; D67-M71 WeakPolarHBondContact O-CB 3.31Å; D67-M71 VanDerWaalsContact O-CG 3.23Å; D67-M71 WeakPolarHBondContact O-CG 3.37Å; D67-M71 PolarHBondContact O-N 3.19Å; D67-F132 HydrophobicContact CB-CZ 4.14Å; D67-R136 VanDerWaalsContact CG-NE 3.3Å; D67-R136 IonicContact OD1-CZ 2.72Å; D67-R136 VanDerWaalsContact OD1-CZ 3.28Å; D67-R136 IonicContact OD1-NE 3.11Å; D67-R136 PolarHBondContact OD1-NE 3.15Å; D67-R136 IonicContact OD1-NH2 2.65Å; D67-R136 PolarHBondContact OD1-NH2 3.06Å; D67-R136 IonicContact OD2-CZ 3.64Å; D67-R136 IonicContact OD2-NE 2.63Å; D67-R136 PolarHBondContact OD2-NE 3.12Å; D67-R136 IonicContact OD2-NH2 3.36Å
68	I	95.4	Very high	90.4	Very high	38 Å²	38	56.9 Å²	56.9	20%	0.195	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-48.2	-178.3	-64.9	168.7	0	0	0	110.6	I53 L63 S64 R65 K70 M71 E72	I53-I68 HydrophobicContact CD1-CG2 4.32Å; I53-I68 HydrophobicContact CG2-CD1 4.18Å; I53-I68 HydrophobicContact CG2-CG1 4.4Å; I53-I68 HydrophobicContact CG2-CG2 4.11Å; L63-I68 HydrophobicContact CB-CG1 4.21Å; S64-I68 WeakPolarHBondContact O-CG1 3.49Å; S64-I68 PolarHBondContact O-N 3.17Å; S64-I68 VanDerWaalsContact O-N 3.13Å; R65-I68 PolarHBondContact O-N 3.33Å; I68-K70 VanDerWaalsContact C-N 3.28Å; I68-K70 PolarHBondContact O-N 3.37Å; I68-M71 PolarHBondContact O-N 3.46Å; I68-E72 HydrophobicContact CG2-CG 4.41Å; I68-E72 WeakPolarHBondContact O-CG 3.08Å; I68-E72 PolarHBondContact O-N 3.23Å
69	E	95.2	Very high	91.8	Very high	92 Å²	92	50.8 Å²	50.8	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-59.1	-40.4	178.9	-73.1	177.2	-178.2	0	0	111.5	R65 L73	R65-E69 HydrophobicContact CG-CG 4.46Å; R65-E69 IonicContact CZ-OE1 3.92Å; R65-E69 IonicContact NE-OE1 3.72Å; R65-E69 PolarHBondContact NE-OE1 3.37Å; R65-E69 IonicContact NH2-OE1 2.62Å; R65-E69 PolarHBondContact NH2-OE1 2.86Å; R65-E69 WeakPolarHBondContact O-CG 3.38Å; R65-E69 PolarHBondContact O-N 2.66Å; E69-L73 PolarHBondContact O-N 2.9Å; E69-L73 VanDerWaalsContact O-N 3.08Å
70	K	97.6	Very high	93.1	Very high	31 Å²	31	46.6 Å²	46.6	14%	0.135	23%	0.23	C	C	.	.	H	α-helix	trans	-69.3	-42.7	175.1	-74.3	177	169.7	86.9	0	112.2	D66 D67 I68 E72 L73 L74 P145 W170	D66-K70 WeakPolarHBondContact O-CB 3.41Å; D66-K70 WeakPolarHBondContact O-CG 3.4Å; D66-K70 PolarHBondContact O-N 3.34Å; D66-K70 VanDerWaalsContact O-N 3.08Å; D66-K70 IonicContact OD1-NZ 3.75Å; D66-K70 PolarHBondContact OD1-NZ 3.32Å; D66-K70 IonicContact OD2-NZ 3.61Å; D66-K70 PolarHBondContact OD2-NZ 3.1Å; D67-K70 PolarHBondContact O-N 2.9Å; I68-K70 VanDerWaalsContact C-N 3.28Å; I68-K70 PolarHBondContact O-N 3.37Å; K70-E72 VanDerWaalsContact C-N 3.32Å; K70-E72 PolarHBondContact O-N 3.05Å; K70-L73 WeakPolarHBondContact O-CB 3.36Å; K70-L73 PolarHBondContact O-N 2.87Å; K70-L74 WeakPolarHBondContact O-CB 3.35Å; K70-L74 WeakPolarHBondContact O-CG 3.47Å; K70-L74 PolarHBondContact O-N 3.45Å; K70-P145 HydrophobicContact CB-CB 3.88Å; K70-P145 HydrophobicContact CB-CG 4.03Å; K70-P145 HydrophobicContact CD-CB 4.37Å; K70-P145 HydrophobicContact CD-CG 3.72Å; K70-W170 HydrophobicContact CD-CD2 3.69Å; K70-W170 HydrophobicContact CD-CE3 4.08Å; K70-W170 HydrophobicContact CD-CG 3.87Å; K70-W170 HydrophobicContact CD-CZ2 4.44Å; K70-W170 HydrophobicContact CG-CG 4.38Å
71	M	97.9	Very high	94.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-42.7	175.8	-72.2	177.2	82.2	0	0	111.5	I51 L63 D67 I68 L74 A75 F132 V147 V333 D334	I51-M71 HydrophobicContact CD1-CB 3.88Å; I51-M71 HydrophobicContact CD1-CE 4.21Å; I51-M71 HydrophobicContact CG1-CB 4.01Å; I51-M71 HydrophobicContact CG2-CB 4.33Å; L63-M71 HydrophobicContact CD1-SD 4.16Å; L63-M71 HydrophobicContact CD2-SD 4.36Å; D67-M71 WeakPolarHBondContact O-CB 3.31Å; D67-M71 VanDerWaalsContact O-CG 3.23Å; D67-M71 WeakPolarHBondContact O-CG 3.37Å; D67-M71 PolarHBondContact O-N 3.19Å; I68-M71 PolarHBondContact O-N 3.46Å; M71-L74 PolarHBondContact O-N 3.12Å; M71-A75 WeakPolarHBondContact O-CB 3.34Å; M71-A75 PolarHBondContact O-N 3.14Å; M71-F132 HydrophobicContact CE-CE1 4.15Å; M71-F132 HydrophobicContact CG-CE1 4.14Å; M71-F132 HydrophobicContact CG-CZ 4.47Å; M71-F132 HydrophobicContact SD-CE1 3.7Å; M71-F132 HydrophobicContact SD-CZ 4.17Å; M71-V147 HydrophobicContact CB-CG1 3.77Å; M71-V147 HydrophobicContact CE-CG1 3.9Å; M71-V147 HydrophobicContact CG-CG1 3.78Å; M71-V333 HydrophobicContact CE-CG1 4.03Å; M71-D334 HydrophobicContact CE-CB 4.36Å
72	E	96.4	Very high	95.1	Very high	90 Å²	90	44.2 Å²	44.2	42%	0.421	22%	0.22	S	C	.	.	H	α-helix	trans	-62.5	-43.6	176.3	-73.7	-178	154	0	0	111.8	I51 I68 K70 G76	I51-E72 HydrophobicContact CB-CG 4.14Å; I51-E72 HydrophobicContact CG1-CG 4.02Å; I68-E72 HydrophobicContact CG2-CG 4.41Å; I68-E72 WeakPolarHBondContact O-CG 3.08Å; I68-E72 PolarHBondContact O-N 3.23Å; K70-E72 VanDerWaalsContact C-N 3.32Å; K70-E72 PolarHBondContact O-N 3.05Å; E72-G76 WeakPolarHBondContact O-CA 3.21Å; E72-G76 PolarHBondContact O-N 2.81Å
73	L	97	Very high	95.3	Very high	10 Å²	10	45 Å²	45	5%	0.052	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-47.3	173.2	177.1	68	0	0	0	111.4	E69 K70 G77 L96 L98 L116	E69-L73 PolarHBondContact O-N 2.9Å; E69-L73 VanDerWaalsContact O-N 3.08Å; K70-L73 WeakPolarHBondContact O-CB 3.36Å; K70-L73 PolarHBondContact O-N 2.87Å; L73-G77 VanDerWaalsContact O-CA 3.3Å; L73-G77 WeakPolarHBondContact O-CA 3.07Å; L73-G77 PolarHBondContact O-N 3.13Å; L73-L96 HydrophobicContact CD1-CB 3.83Å; L73-L96 HydrophobicContact CG-CB 4.23Å; L73-L96 HydrophobicContact CG-CD1 4.09Å; L73-L98 HydrophobicContact CB-CD2 4.49Å; L73-L98 HydrophobicContact CD1-CD2 3.82Å; L73-L98 HydrophobicContact CD1-CG 4.08Å; L73-L116 HydrophobicContact CD1-CD2 4.48Å; L73-L116 HydrophobicContact CD2-CD2 3.88Å
74	L	98.1	Very high	95.2	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-44.8	-177.3	-67.9	167.8	0	0	0	112	K70 M71 L96 S118 P145 V147 R149 A168 W170	K70-L74 WeakPolarHBondContact O-CB 3.35Å; K70-L74 WeakPolarHBondContact O-CG 3.47Å; K70-L74 PolarHBondContact O-N 3.45Å; M71-L74 PolarHBondContact O-N 3.12Å; L74-L96 HydrophobicContact CD2-CD1 4.27Å; L74-S118 VanDerWaalsContact CD2-CB 3.43Å; L74-S118 VanDerWaalsContact CD2-OG 3.29Å; L74-S118 WeakPolarHBondContact CD2-OG 3.37Å; L74-P145 HydrophobicContact CD1-CB 4.32Å; L74-P145 WeakPolarHBondContact CD1-O 3.25Å; L74-V147 HydrophobicContact CB-CG1 4.42Å; L74-V147 HydrophobicContact CB-CG2 3.45Å; L74-V147 VanDerWaalsContact CB-CG2 3.45Å; L74-V147 HydrophobicContact CD1-CG2 4.48Å; L74-R149 WeakPolarHBondContact O-CD 3.17Å; L74-R149 PolarHBondContact O-NH1 3Å; L74-A168 HydrophobicContact CB-CB 4.37Å; L74-A168 HydrophobicContact CD2-CB 4.32Å; L74-W170 HydrophobicContact CD1-CB 4.15Å
75	A	97	Very high	94.7	Very high	5 Å²	5	53.2 Å²	53.2	4%	0.041	25%	0.254	C	S	.	.	H	α-helix	trans	-75.7	-33.5	-178.6	0	0	0	0	0	112.4	K50 I51 M71 V147	K50-A75 HydrophobicContact CB-CB 3.94Å; K50-A75 HydrophobicContact CD-CB 4.1Å; K50-A75 VanDerWaalsContact CD-O 3.22Å; K50-A75 WeakPolarHBondContact CD-O 3.42Å; K50-A75 PolarHBondContact NZ-O 2.7Å; I51-A75 HydrophobicContact CD1-CB 3.8Å; I51-A75 HydrophobicContact CG1-CB 4.2Å; M71-A75 WeakPolarHBondContact O-CB 3.34Å; M71-A75 PolarHBondContact O-N 3.14Å; A75-V147 HydrophobicContact CB-CG2 4.17Å
76	G	94.6	Very high	93.9	Very high	32 Å²	32	48.8 Å²	48.8	33%	0.33	25%	0.251	S	S	.	.	H	α-helix	trans	-109.4	-26.9	-167.4	0	0	0	0	0	116.6	E72	E72-G76 WeakPolarHBondContact O-CA 3.21Å; E72-G76 PolarHBondContact O-N 2.81Å
77	G	94.7	Very high	92.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.263	C	S	.	.			trans	-65	141.5	-169.2	0	0	0	0	0	113.6	L73 D97 R149	L73-G77 VanDerWaalsContact O-CA 3.3Å; L73-G77 WeakPolarHBondContact O-CA 3.07Å; L73-G77 PolarHBondContact O-N 3.13Å; G77-D97 CarbonylContact C-O 3.43Å; G77-D97 WeakPolarHBondContact CA-O 3.45Å; G77-R149 VanDerWaalsContact O-CZ 3.25Å; G77-R149 PolarHBondContact O-NH1 3.16Å; G77-R149 PolarHBondContact O-NH2 3.43Å
78	E	93.9	Very high	91.8	Very high	87 Å²	87	51.1 Å²	51.1	41%	0.407	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	130.8	175.6	-175.5	-178.2	-175.6	0	0	109.6	V80 L96 D97 H102	E78-V80 HydrophobicContact CG-CG1 4.31Å; E78-V80 PolarHBondContact O-N 3.28Å; E78-L96 CarbonylContact O-C 3.56Å; E78-L96 VanDerWaalsContact O-CA 3.25Å; E78-L96 WeakPolarHBondContact O-CA 3.41Å; E78-D97 PolarHBondContact N-O 3.16Å; E78-D97 PolarHBondContact O-N 3.24Å; E78-H102 IonicContact OE2-CE1 3.42Å; E78-H102 PolarHBondContact OE2-CE1 2.79Å; E78-H102 IonicContact OE2-NE2 3.99Å
79	V	94.9	Very high	90.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	115.9	173.5	177.8	0	0	0	0	108.2	V94 L96 F151 D153 I155 L156	V79-V94 HydrophobicContact CG1-CB 4.2Å; V79-V94 HydrophobicContact CG1-CG1 4.4Å; V79-L96 HydrophobicContact CG2-CD2 3.83Å; V79-F151 HydrophobicContact CG2-CD1 3.94Å; V79-F151 HydrophobicContact CG2-CE1 3.98Å; V79-D153 HydrophobicContact CB-CB 3.87Å; V79-D153 HydrophobicContact CG2-CB 4.17Å; V79-D153 WeakPolarHBondContact CG2-OD2 3.33Å; V79-I155 HydrophobicContact CG1-CB 4.48Å; V79-I155 HydrophobicContact CG1-CG2 4.49Å; V79-I155 WeakPolarHBondContact O-CD1 3.47Å; V79-L156 HydrophobicContact CG1-CD2 3.99Å; V79-L156 HydrophobicContact CG1-CG 4.19Å; V79-L156 HydrophobicContact CG2-CD1 4.29Å
80	V	93.9	Very high	90	Very high	34 Å²	34	53 Å²	53	21%	0.206	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-22.1	-176.7	-63.3	0	0	0	0	113.5	E78 A95 D97	E78-V80 HydrophobicContact CG-CG1 4.31Å; E78-V80 PolarHBondContact O-N 3.28Å; V80-A95 HydrophobicContact CG2-CB 4.08Å; V80-A95 WeakPolarHBondContact CG2-O 3.25Å; V80-A95 PolarHBondContact N-O 3.06Å; V80-D97 HydrophobicContact CG1-CB 3.94Å
81	S	94.3	Very high	89.6	Confident	25 Å²	25	52.4 Å²	52.4	18%	0.175	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	163.5	174	59.5	0	0	0	0	111.4	V94 A95 H108	S81-V94 WeakPolarHBondContact O-CA 3.31Å; S81-A95 PolarHBondContact O-N 3.45Å; S81-A95 VanDerWaalsContact OG-CB 3.31Å; S81-A95 WeakPolarHBondContact OG-CB 3.23Å; S81-H108 PolarHBondContact OG-ND1 3.49Å
82	K	94.7	Very high	89.4	Confident	98 Å²	98	53 Å²	53	43%	0.426	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.5	178.4	66.7	-177	172.4	70.9	0	111.9	L92 Q93 V94 I155 L156	K82-L92 HydrophobicContact CB-CD1 4.33Å; K82-L92 HydrophobicContact CB-CD2 4.05Å; K82-L92 HydrophobicContact CB-CG 4.25Å; K82-L92 HydrophobicContact CD-CD2 4.04Å; K82-Q93 CarbonylContact C-O 3.51Å; K82-Q93 VanDerWaalsContact CA-O 3.29Å; K82-Q93 WeakPolarHBondContact CA-O 3.03Å; K82-V94 HydrophobicContact CB-CG1 4.38Å; K82-I155 HydrophobicContact CD-CG2 4.24Å; K82-I155 VanDerWaalsContact CD-O 3.27Å; K82-I155 WeakPolarHBondContact CD-O 2.99Å; K82-I155 WeakPolarHBondContact CE-O 3.45Å; K82-I155 HydrophobicContact CG-CG2 4.26Å; K82-L156 HydrophobicContact CB-CD2 4.35Å; K82-L156 HydrophobicContact CD-CD2 4.2Å
83	S	93.8	Very high	89.4	Confident	47 Å²	47	49.8 Å²	49.8	33%	0.329	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.2	171.9	-172	0	0	0	0	110.4	L92 Q93 H108	S83-L92 VanDerWaalsContact O-CD1 3.29Å; S83-L92 WeakPolarHBondContact O-CD1 3.44Å; S83-Q93 PolarHBondContact N-O 3.28Å; S83-Q93 PolarHBondContact O-N 3.46Å; S83-H108 WeakPolarHBondContact CB-NE2 3.49Å
84	R	90.3	Very high	89.3	Confident	220 Å²	220	49.3 Å²	49.3	83%	0.83	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	142.3	171.6	-67.3	-176	179.8	-172.4	0.6	108.8
85	V	84.2	Confident	89.2	Confident	29 Å²	29	49.2 Å²	49.2	18%	0.176	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-87.3	122	167	-172.4	0	0	0	0	107.4	H88 V91 Q93 L119	V85-H88 HydrophobicContact CB-CB 4.1Å; V85-H88 HydrophobicContact CG1-CB 4.01Å; V85-H88 PolarHBondContact O-N 3.48Å; V85-V91 HydrophobicContact CG2-CG1 4.21Å; V85-Q93 HydrophobicContact CG2-CB 4.04Å; V85-L119 HydrophobicContact CG2-CD2 3.9Å
86	P	76.5	Confident	89.1	Confident	103 Å²	103	49 Å²	49	67%	0.669	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	144.1	175.8	-26.1	35.1	0	0	0	111.4	H88	P86-H88 PolarHBondContact O-CD2 3.25Å; P86-H88 PolarHBondContact O-N 3.05Å
87	A	71.1	Confident	88.9	Confident	82 Å²	82	48.5 Å²	48.5	68%	0.678	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	-10.1	-177.6	0	0	0	0	0	117.4	S183	A87-S183 VanDerWaalsContact CB-CB 3.45Å; A87-S183 WeakPolarHBondContact CB-OG 3.44Å
88	H	77.2	Confident	88.1	Confident	49 Å²	49	53.4 Å²	53.4	23%	0.227	30%	0.295	C	S	.	.			trans	-113.8	63.5	-177.9	-58.7	-78.1	0	0	0	111.4	V85 P86 Q90 V91 Q185	V85-H88 HydrophobicContact CB-CB 4.1Å; V85-H88 HydrophobicContact CG1-CB 4.01Å; V85-H88 PolarHBondContact O-N 3.48Å; P86-H88 PolarHBondContact O-CD2 3.25Å; P86-H88 PolarHBondContact O-N 3.05Å; H88-Q90 PolarHBondContact O-N 2.89Å; H88-V91 HydrophobicContact CB-CB 4.24Å; H88-V91 HydrophobicContact CB-CG2 4.32Å; H88-V91 PolarHBondContact O-N 3.39Å; H88-Q185 PolarHBondContact CE1-OE1 3.47Å; H88-Q185 WeakPolarHBondContact NE2-CG 3.5Å
89	G	71.1	Confident	86.7	Confident	61 Å²	61	55 Å²	55	63%	0.629	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-10.5	-174.8	0	0	0	0	0	115.8	R159	G89-R159 PolarHBondContact O-NH1 3.15Å; G89-R159 PolarHBondContact O-NH2 3.33Å
90	Q	81.1	Confident	85	Confident	109 Å²	109	58 Å²	58	51%	0.509	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-13.2	175.2	-65.9	-173.9	-37.5	0	0	113.1	H88 R122 R159	H88-Q90 PolarHBondContact O-N 2.89Å; Q90-R122 HydrophobicContact CB-CG 3.98Å; Q90-R122 VanDerWaalsContact OE1-CD 3.29Å; Q90-R159 VanDerWaalsContact C-NH2 3.31Å; Q90-R159 VanDerWaalsContact CA-NH2 3.34Å; Q90-R159 PolarHBondContact O-NH2 2.68Å; Q90-R159 VanDerWaalsContact O-NH2 3.15Å
91	V	89.2	Confident	83.2	Confident	18 Å²	18	62.3 Å²	62.3	11%	0.109	37%	0.366	C	S	.	.			trans	-107.5	144.3	179.7	-175.6	0	0	0	0	109.9	V85 H88 L119 V120 K121	V85-V91 HydrophobicContact CG2-CG1 4.21Å; H88-V91 HydrophobicContact CB-CB 4.24Å; H88-V91 HydrophobicContact CB-CG2 4.32Å; H88-V91 PolarHBondContact O-N 3.39Å; V91-L119 HydrophobicContact CG1-CB 4.02Å; V91-L119 HydrophobicContact CG1-CD2 4.11Å; V91-V120 WeakPolarHBondContact CA-O 3.32Å; V91-K121 HydrophobicContact CG1-CD 4.12Å; V91-K121 HydrophobicContact CG2-CD 3.83Å
92	L	93.3	Very high	81.2	Confident	11 Å²	11	66.6 Å²	66.6	6%	0.058	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.9	175	-171.1	74.4	0	0	0	110.2	K82 S83 V94 V120 L156 F160	K82-L92 HydrophobicContact CB-CD1 4.33Å; K82-L92 HydrophobicContact CB-CD2 4.05Å; K82-L92 HydrophobicContact CB-CG 4.25Å; K82-L92 HydrophobicContact CD-CD2 4.04Å; S83-L92 VanDerWaalsContact O-CD1 3.29Å; S83-L92 WeakPolarHBondContact O-CD1 3.44Å; L92-V94 HydrophobicContact CD2-CG1 4Å; L92-V94 HydrophobicContact CG-CG1 4.21Å; L92-V120 PolarHBondContact N-O 2.79Å; L92-V120 VanDerWaalsContact N-O 3.09Å; L92-V120 PolarHBondContact O-N 2.9Å; L92-L156 HydrophobicContact CD2-CD2 3.54Å; L92-F160 HydrophobicContact CB-CE1 3.79Å; L92-F160 HydrophobicContact CB-CE2 4.1Å; L92-F160 HydrophobicContact CB-CZ 3.45Å; L92-F160 VanDerWaalsContact CB-CZ 3.45Å; L92-F160 HydrophobicContact CD2-CD2 4.2Å; L92-F160 HydrophobicContact CD2-CE2 3.96Å; L92-F160 HydrophobicContact CD2-CZ 4.12Å; L92-F160 HydrophobicContact CG-CZ 4.33Å
93	Q	95.9	Very high	79.3	Confident	23 Å²	23	68.3 Å²	68.3	11%	0.107	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.8	170.7	-174.5	-179.8	45.8	0	0	108.8	K82 S83 V85 H108 C117 S118 L119	K82-Q93 CarbonylContact C-O 3.51Å; K82-Q93 VanDerWaalsContact CA-O 3.29Å; K82-Q93 WeakPolarHBondContact CA-O 3.03Å; S83-Q93 PolarHBondContact N-O 3.28Å; S83-Q93 PolarHBondContact O-N 3.46Å; V85-Q93 HydrophobicContact CG2-CB 4.04Å; Q93-H108 PolarHBondContact OE1-NE2 2.04Å; Q93-C117 HydrophobicContact CG-CB 4.42Å; Q93-S118 CarbonylContact C-O 3.44Å; Q93-S118 WeakPolarHBondContact CA-O 3.05Å; Q93-L119 HydrophobicContact CB-CD2 4.12Å; Q93-L119 HydrophobicContact CG-CD2 4.38Å
94	V	96.3	Very high	77.4	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.3	178.6	-58.4	0	0	0	0	109.4	V79 S81 K82 L92 L96 C117 S118 V120 L156	V79-V94 HydrophobicContact CG1-CB 4.2Å; V79-V94 HydrophobicContact CG1-CG1 4.4Å; S81-V94 WeakPolarHBondContact O-CA 3.31Å; K82-V94 HydrophobicContact CB-CG1 4.38Å; L92-V94 HydrophobicContact CD2-CG1 4Å; L92-V94 HydrophobicContact CG-CG1 4.21Å; V94-L96 HydrophobicContact CG2-CD2 4.05Å; V94-L96 HydrophobicContact CG2-CG 4.41Å; V94-C117 CarbonylContact O-C 3.46Å; V94-C117 WeakPolarHBondContact O-CA 3.45Å; V94-C117 WeakPolarHBondContact O-CB 3.22Å; V94-S118 PolarHBondContact N-O 2.79Å; V94-S118 PolarHBondContact O-N 3.28Å; V94-V120 HydrophobicContact CB-CG2 4.47Å; V94-V120 HydrophobicContact CG1-CG2 3.8Å; V94-V120 HydrophobicContact CG2-CG2 3.77Å; V94-L156 HydrophobicContact CG1-CD2 3.65Å
95	A	95.9	Very high	75.8	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	139.1	168.6	0	0	0	0	0	109.4	V80 S81 R111 C117	V80-A95 HydrophobicContact CG2-CB 4.08Å; V80-A95 WeakPolarHBondContact CG2-O 3.25Å; V80-A95 PolarHBondContact N-O 3.06Å; S81-A95 PolarHBondContact O-N 3.45Å; S81-A95 VanDerWaalsContact OG-CB 3.31Å; S81-A95 WeakPolarHBondContact OG-CB 3.23Å; A95-R111 HydrophobicContact CB-CB 3.99Å; A95-C117 VanDerWaalsContact CA-SG 3.51Å; A95-C117 VanDerWaalsContact CB-SG 3.59Å
96	L	95	Very high	75.1	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.8	-174.8	-57.2	175	0	0	0	109.2	L73 L74 E78 V79 V94 L116	L73-L96 HydrophobicContact CD1-CB 3.83Å; L73-L96 HydrophobicContact CG-CB 4.23Å; L73-L96 HydrophobicContact CG-CD1 4.09Å; L74-L96 HydrophobicContact CD2-CD1 4.27Å; E78-L96 CarbonylContact O-C 3.56Å; E78-L96 VanDerWaalsContact O-CA 3.25Å; E78-L96 WeakPolarHBondContact O-CA 3.41Å; V79-L96 HydrophobicContact CG2-CD2 3.83Å; V94-L96 HydrophobicContact CG2-CD2 4.05Å; V94-L96 HydrophobicContact CG2-CG 4.41Å; L96-L116 PolarHBondContact N-O 3.38Å
97	D	89	Confident	75.7	Confident	20 Å²	20	63 Å²	63	11%	0.107	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.2	165.6	-78.6	-25.6	0	0	0	109	G77 E78 V80 R111	G77-D97 CarbonylContact C-O 3.43Å; G77-D97 WeakPolarHBondContact CA-O 3.45Å; E78-D97 PolarHBondContact N-O 3.16Å; E78-D97 PolarHBondContact O-N 3.24Å; V80-D97 HydrophobicContact CG1-CB 3.94Å; D97-R111 WeakPolarHBondContact OD1-CD 3.43Å; D97-R111 IonicContact OD1-NE 3.74Å; D97-R111 PolarHBondContact OD1-NE 3.2Å; D97-R111 IonicContact OD2-CZ 2.92Å; D97-R111 IonicContact OD2-NE 2.87Å; D97-R111 PolarHBondContact OD2-NE 2.8Å; D97-R111 IonicContact OD2-NH2 3.91Å; D97-R111 PolarHBondContact OD2-NH2 3.21Å
98	L	79.2	Confident	76.7	Confident	103 Å²	103	61 Å²	61	54%	0.539	39%	0.39	S	S	.	.			trans	-72	152.6	169.2	-69.9	172	0	0	0	109	L73 A100	L73-L98 HydrophobicContact CB-CD2 4.49Å; L73-L98 HydrophobicContact CD1-CD2 3.82Å; L73-L98 HydrophobicContact CD1-CG 4.08Å; L98-A100 PolarHBondContact O-N 3.49Å
99	P	63.3	Low	77.4	Confident	120 Å²	120	62.6 Å²	62.6	78%	0.779	41%	0.406	S	S	*	.	S	Bend	trans	-62.5	5.8	-177.1	-21	31.9	0	0	0	116.6
100	A	60.6	Low	78.4	Confident	64 Å²	64	61.2 Å²	61.2	53%	0.529	39%	0.391	S	S	.	.	S	Bend	trans	-81.9	159.6	178.7	0	0	0	0	0	110.7	L98 H102	L98-A100 PolarHBondContact O-N 3.49Å; A100-H102 PolarHBondContact O-N 3.45Å
101	P	54.3	Low	79	Confident	125 Å²	125	57.5 Å²	57.5	81%	0.812	37%	0.373	S	S	*	.			trans	-56.5	119.2	-165.9	19.2	-30.5	0	0	0	111.5	Q103	P101-Q103 PolarHBondContact O-N 3Å; P101-Q103 VanDerWaalsContact O-N 3.13Å
102	H	54	Low	79.2	Confident	116 Å²	116	56.8 Å²	56.8	54%	0.537	37%	0.368	S	S	.	.			trans	-39.6	117.7	-177.9	-63.9	-103.2	0	0	0	110.1	E78 A100 P104	E78-H102 IonicContact OE2-CE1 3.42Å; E78-H102 PolarHBondContact OE2-CE1 2.79Å; E78-H102 IonicContact OE2-NE2 3.99Å; A100-H102 PolarHBondContact O-N 3.45Å; H102-P104 WeakPolarHBondContact O-CD 3.13Å
103	Q	53.8	Low	79.2	Confident	133 Å²	133	61.5 Å²	61.5	62%	0.621	39%	0.39	S	S	*	.			trans	-74.2	109.4	163.7	-73.6	-167.3	-8.6	0	0	107.2	P101 G105	P101-Q103 PolarHBondContact O-N 3Å; P101-Q103 VanDerWaalsContact O-N 3.13Å; Q103-G105 PolarHBondContact O-N 3.44Å
104	P	53.5	Low	79	Confident	128 Å²	128	67.6 Å²	67.6	83%	0.831	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	134.5	176.6	-9	27.3	0	0	0	107.9	H102	H102-P104 WeakPolarHBondContact O-CD 3.13Å
105	G	58.2	Low	78.9	Confident	80 Å²	80	68.1 Å²	68.1	83%	0.825	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	127.4	-9.8	159.3	0	0	0	0	0	118	Q103	Q103-G105 PolarHBondContact O-N 3.44Å
106	A	69.1	Low	78.9	Confident	32 Å²	32	69.8 Å²	69.8	26%	0.264	43%	0.426	S	S	.	.			trans	-82.1	129.2	169.5	0	0	0	0	0	109.8	R111	A106-R111 HydrophobicContact CB-CG 3.93Å; A106-R111 PolarHBondContact O-NH1 3.34Å
107	G	87.9	Confident	79	Confident	49 Å²	49	69.7 Å²	69.7	51%	0.505	43%	0.426	S	S	.	.			trans	-70	174.8	164.8	0	0	0	0	0	111.5	S109 G110 R111	G107-S109 VanDerWaalsContact C-N 3.33Å; G107-S109 PolarHBondContact O-N 2.91Å; G107-G110 PolarHBondContact O-N 3.17Å; G107-G110 VanDerWaalsContact O-N 3.1Å; G107-R111 PolarHBondContact O-N 3.32Å; G107-R111 VanDerWaalsContact O-N 3.08Å
108	H	92.5	Very high	79.4	Confident	40 Å²	40	68.8 Å²	68.8	19%	0.185	42%	0.421	C	S	.	.	H	α-helix	trans	-50.5	-52.1	176.6	-178.6	83.3	0	0	0	111.9	S81 S83 Q93 G110 R111 C112	S81-H108 PolarHBondContact OG-ND1 3.49Å; S83-H108 WeakPolarHBondContact CB-NE2 3.49Å; Q93-H108 PolarHBondContact OE1-NE2 2.04Å; H108-G110 VanDerWaalsContact C-N 3.34Å; H108-G110 PolarHBondContact O-N 2.78Å; H108-R111 PolarHBondContact O-N 3.08Å; H108-C112 PolarHBondContact O-N 3.44Å; H108-C112 PolarHBondContact O-SG 3.38Å
109	S	91.8	Very high	80.2	Confident	82 Å²	82	65 Å²	65	57%	0.573	40%	0.401	S	S	*	.	H	α-helix	trans	-58.2	-42.9	177.6	179.2	0	0	0	0	112.6	G107 R111 C112 Q113	G107-S109 VanDerWaalsContact C-N 3.33Å; G107-S109 PolarHBondContact O-N 2.91Å; S109-R111 VanDerWaalsContact C-N 3.32Å; S109-R111 PolarHBondContact O-N 3.12Å; S109-C112 PolarHBondContact O-N 3.06Å; S109-Q113 WeakPolarHBondContact O-CG 3.41Å; S109-Q113 PolarHBondContact O-N 3.03Å
110	G	92.6	Very high	81.8	Confident	31 Å²	31	59.3 Å²	59.3	32%	0.32	36%	0.364	S	S	.	.	H	α-helix	trans	-63.3	-35.4	179.1	0	0	0	0	0	113.4	G107 H108 R114	G107-G110 PolarHBondContact O-N 3.17Å; G107-G110 VanDerWaalsContact O-N 3.1Å; H108-G110 VanDerWaalsContact C-N 3.34Å; H108-G110 PolarHBondContact O-N 2.78Å; G110-R114 WeakPolarHBondContact O-CG 3.33Å; G110-R114 PolarHBondContact O-N 2.97Å
111	R	92.9	Very high	83.4	Confident	32 Å²	32	57 Å²	57	12%	0.121	34%	0.342	C	S	.	.	H	α-helix	trans	-68.2	-45.5	172.3	-73.1	-171	179.3	79.7	-3.3	111.8	A95 D97 A106 G107 H108 S109 Q113 R114 G115 L116	A95-R111 HydrophobicContact CB-CB 3.99Å; D97-R111 WeakPolarHBondContact OD1-CD 3.43Å; D97-R111 IonicContact OD1-NE 3.74Å; D97-R111 PolarHBondContact OD1-NE 3.2Å; D97-R111 IonicContact OD2-CZ 2.92Å; D97-R111 IonicContact OD2-NE 2.87Å; D97-R111 PolarHBondContact OD2-NE 2.8Å; D97-R111 IonicContact OD2-NH2 3.91Å; D97-R111 PolarHBondContact OD2-NH2 3.21Å; A106-R111 HydrophobicContact CB-CG 3.93Å; A106-R111 PolarHBondContact O-NH1 3.34Å; G107-R111 PolarHBondContact O-N 3.32Å; G107-R111 VanDerWaalsContact O-N 3.08Å; H108-R111 PolarHBondContact O-N 3.08Å; S109-R111 VanDerWaalsContact C-N 3.32Å; S109-R111 PolarHBondContact O-N 3.12Å; R111-Q113 VanDerWaalsContact C-N 3.3Å; R111-Q113 PolarHBondContact O-N 3.22Å; R111-R114 CarbonylContact O-C 3.55Å; R111-R114 WeakPolarHBondContact O-CA 2.95Å; R111-R114 WeakPolarHBondContact O-CB 3.38Å; R111-R114 PolarHBondContact O-N 3.39Å; R111-G115 PolarHBondContact O-N 2.92Å; R111-L116 HydrophobicContact CB-CB 4.23Å; R111-L116 WeakPolarHBondContact O-CB 3.38Å; R111-L116 PolarHBondContact O-N 2.64Å
112	C	93.6	Very high	85.3	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.014	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-41.1	178.9	-62.7	0	0	0	0	111.6	H108 S109 R114 G115 C117 W171	H108-C112 PolarHBondContact O-N 3.44Å; H108-C112 PolarHBondContact O-SG 3.38Å; S109-C112 PolarHBondContact O-N 3.06Å; C112-R114 PolarHBondContact O-N 3.43Å; C112-G115 PolarHBondContact O-N 3Å; C112-C117 WeakPolarHBondContact CA-SG 3.02Å; C112-C117 HydrophobicContact CB-CB 3.71Å; C112-C117 WeakPolarHBondContact CB-SG 3.4Å; C112-C117 PolarHBondContact N-SG 3.38Å; C112-C117 VanDerWaalsContact N-SG 3.36Å; C112-C117 WeakPolarHBondContact SG-CB 3.21Å; C112-C117 CovalentContact SG-SG 2.03Å; C112-C117 PolarHBondContact SG-SG 2.91Å; C112-W171 HydrophobicContact CB-CE3 3.58Å; C112-W171 HydrophobicContact CB-CH2 4.12Å; C112-W171 HydrophobicContact CB-CZ3 3.36Å; C112-W171 WeakPolarHBondContact O-CZ3 3.11Å
113	Q	93.3	Very high	87.1	Confident	110 Å²	110	51.3 Å²	51.3	51%	0.514	30%	0.304	S	S	.	.	H	α-helix	trans	-63	-23.4	174.7	-69.3	-57.9	-32.2	0	0	113.8	S109 R111 G115	S109-Q113 WeakPolarHBondContact O-CG 3.41Å; S109-Q113 PolarHBondContact O-N 3.03Å; R111-Q113 VanDerWaalsContact C-N 3.3Å; R111-Q113 PolarHBondContact O-N 3.22Å; Q113-G115 VanDerWaalsContact C-N 3.26Å
114	R	93.1	Very high	89	Confident	151 Å²	151	51.4 Å²	51.4	57%	0.57	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	5.7	172.7	-68.6	173.9	60	177.6	-0.7	113.2	G110 R111 C112 L116	G110-R114 WeakPolarHBondContact O-CG 3.33Å; G110-R114 PolarHBondContact O-N 2.97Å; R111-R114 CarbonylContact O-C 3.55Å; R111-R114 WeakPolarHBondContact O-CA 2.95Å; R111-R114 WeakPolarHBondContact O-CB 3.38Å; R111-R114 PolarHBondContact O-N 3.39Å; C112-R114 PolarHBondContact O-N 3.43Å; R114-L116 VanDerWaalsContact C-N 3.31Å; R114-L116 HydrophobicContact CB-CD1 4.24Å; R114-L116 HydrophobicContact CB-CG 4.17Å
115	G	94.3	Very high	90.9	Very high	11 Å²	11	46.1 Å²	46.1	11%	0.113	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	20.4	-176.2	0	0	0	0	0	113.7	R111 C112 Q113 C117 W170	R111-G115 PolarHBondContact O-N 2.92Å; C112-G115 PolarHBondContact O-N 3Å; Q113-G115 VanDerWaalsContact C-N 3.26Å; G115-C117 VanDerWaalsContact C-N 3.35Å; G115-W170 PolarHBondContact O-NE1 3.21Å
116	L	95.9	Very high	92.6	Very high	35 Å²	35	44.6 Å²	44.6	18%	0.183	24%	0.243	C	C	.	.			trans	-98.9	31.4	-178.2	-58.8	176.4	0	0	0	112.6	L73 L96 R111 R114	L73-L116 HydrophobicContact CD1-CD2 4.48Å; L73-L116 HydrophobicContact CD2-CD2 3.88Å; L96-L116 PolarHBondContact N-O 3.38Å; R111-L116 HydrophobicContact CB-CB 4.23Å; R111-L116 WeakPolarHBondContact O-CB 3.38Å; R111-L116 PolarHBondContact O-N 2.64Å; R114-L116 VanDerWaalsContact C-N 3.31Å; R114-L116 HydrophobicContact CB-CD1 4.24Å; R114-L116 HydrophobicContact CB-CG 4.17Å
117	C	96.5	Very high	93.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	158.5	179.9	-74.5	0	0	0	0	112.2	Q93 V94 A95 C112 G115 W171	Q93-C117 HydrophobicContact CG-CB 4.42Å; V94-C117 CarbonylContact O-C 3.46Å; V94-C117 WeakPolarHBondContact O-CA 3.45Å; V94-C117 WeakPolarHBondContact O-CB 3.22Å; A95-C117 VanDerWaalsContact CA-SG 3.51Å; A95-C117 VanDerWaalsContact CB-SG 3.59Å; C112-C117 WeakPolarHBondContact CA-SG 3.02Å; C112-C117 HydrophobicContact CB-CB 3.71Å; C112-C117 WeakPolarHBondContact CB-SG 3.4Å; C112-C117 PolarHBondContact N-SG 3.38Å; C112-C117 VanDerWaalsContact N-SG 3.36Å; C112-C117 WeakPolarHBondContact SG-CB 3.21Å; C112-C117 CovalentContact SG-SG 2.03Å; C112-C117 PolarHBondContact SG-SG 2.91Å; G115-C117 VanDerWaalsContact C-N 3.35Å; C117-W171 HydrophobicContact CB-CB 3.88Å; C117-W171 HydrophobicContact CB-CE3 4.19Å; C117-W171 HydrophobicContact CB-CG 4.42Å; C117-W171 PolarHBondContact O-N 3.08Å
118	S	97.1	Very high	94.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.2	176.9	-180	0	0	0	0	110.9	L74 Q93 V94 V169	L74-S118 VanDerWaalsContact CD2-CB 3.43Å; L74-S118 VanDerWaalsContact CD2-OG 3.29Å; L74-S118 WeakPolarHBondContact CD2-OG 3.37Å; Q93-S118 CarbonylContact C-O 3.44Å; Q93-S118 WeakPolarHBondContact CA-O 3.05Å; V94-S118 PolarHBondContact N-O 2.79Å; V94-S118 PolarHBondContact O-N 3.28Å; S118-V169 CarbonylContact C-O 3.55Å; S118-V169 WeakPolarHBondContact CA-O 3.35Å; S118-V169 PolarHBondContact OG-N 3.23Å; S118-V169 PolarHBondContact OG-O 2.59Å
119	L	96.8	Very high	94.6	Very high	24 Å²	24	39.2 Å²	39.2	13%	0.126	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	117	162.9	-62.8	-179.8	0	0	0	109.2	V85 V91 Q93 V169 W171	V85-L119 HydrophobicContact CG2-CD2 3.9Å; V91-L119 HydrophobicContact CG1-CB 4.02Å; V91-L119 HydrophobicContact CG1-CD2 4.11Å; Q93-L119 HydrophobicContact CB-CD2 4.12Å; Q93-L119 HydrophobicContact CG-CD2 4.38Å; L119-V169 PolarHBondContact N-O 2.59Å; L119-V169 PolarHBondContact O-N 2.87Å; L119-W171 HydrophobicContact CD2-CG 4.42Å; L119-W171 HydrophobicContact CG-CB 4.26Å; L119-W171 HydrophobicContact CG-CG 4.42Å
120	V	96.2	Very high	94.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	112.3	172	-172	0	0	0	0	108.5	V91 L92 V94 F151 F160 R166	V91-V120 WeakPolarHBondContact CA-O 3.32Å; L92-V120 PolarHBondContact N-O 2.79Å; L92-V120 VanDerWaalsContact N-O 3.09Å; L92-V120 PolarHBondContact O-N 2.9Å; V94-V120 HydrophobicContact CB-CG2 4.47Å; V94-V120 HydrophobicContact CG1-CG2 3.8Å; V94-V120 HydrophobicContact CG2-CG2 3.77Å; V120-F151 HydrophobicContact CB-CE2 4.45Å; V120-F151 HydrophobicContact CG1-CD2 4.11Å; V120-F151 HydrophobicContact CG1-CE2 3.71Å; V120-F151 HydrophobicContact CG1-CZ 4.3Å; V120-F151 HydrophobicContact CG2-CE1 4.17Å; V120-F151 HydrophobicContact CG2-CE2 3.91Å; V120-F151 HydrophobicContact CG2-CZ 3.61Å; V120-F160 HydrophobicContact CB-CD1 4.32Å; V120-F160 HydrophobicContact CB-CE1 4.26Å; V120-F160 HydrophobicContact CG1-CD1 3.67Å; V120-F160 HydrophobicContact CG1-CE1 3.99Å; V120-R166 HydrophobicContact CG1-CB 4.23Å
121	K	94.8	Very high	95.2	Very high	14 Å²	14	33.8 Å²	33.8	6%	0.061	16%	0.156	C	C	.	.			trans	-92.2	-175.8	-176.5	-61	-75.6	-173.1	164.9	0	111.6	V91 D125 P167 V169 D287	V91-K121 HydrophobicContact CG1-CD 4.12Å; V91-K121 HydrophobicContact CG2-CD 3.83Å; K121-D125 HydrophobicContact CB-CB 4.07Å; K121-P167 HydrophobicContact CB-CB 3.99Å; K121-P167 HydrophobicContact CB-CG 3.9Å; K121-P167 HydrophobicContact CG-CB 4.32Å; K121-P167 PolarHBondContact N-O 3.27Å; K121-V169 HydrophobicContact CG-CG2 4.15Å; K121-D287 IonicContact NZ-OD1 2.98Å; K121-D287 PolarHBondContact NZ-OD1 3.29Å
122	R	93.2	Very high	95.5	Very high	92 Å²	92	32.3 Å²	32.3	35%	0.347	15%	0.151	S	C	.	.			trans	-76.9	155.8	176.2	-55.7	170.3	-70.8	-172.9	13.8	110.1	Q90 D124 D125 P167	Q90-R122 HydrophobicContact CB-CG 3.98Å; Q90-R122 VanDerWaalsContact OE1-CD 3.29Å; R122-D124 PolarHBondContact O-N 3.06Å; R122-D125 WeakPolarHBondContact CB-OD2 3.39Å; R122-D125 WeakPolarHBondContact CG-OD2 3.24Å; R122-D125 IonicContact CZ-OD1 2.67Å; R122-D125 IonicContact CZ-OD2 3.29Å; R122-D125 PolarHBondContact N-OD2 3.27Å; R122-D125 IonicContact NE-OD1 3.12Å; R122-D125 PolarHBondContact NE-OD1 2.65Å; R122-D125 IonicContact NE-OD2 3.35Å; R122-D125 PolarHBondContact NE-OD2 2.92Å; R122-D125 IonicContact NH2-OD1 3.82Å; R122-D125 PolarHBondContact NH2-OD1 3.48Å; R122-D125 IonicContact NH2-OD2 3.81Å; R122-D125 WeakPolarHBondContact O-CB 3.23Å; R122-D125 PolarHBondContact O-N 2.68Å; R122-P167 WeakPolarHBondContact O-CD 3.29Å
123	P	93.3	Very high	95.7	Very high	31 Å²	31	32.2 Å²	32.2	20%	0.201	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-58.1	-37.2	177.2	-22	34.3	0	0	0	112.1	D125 W126 E164 R166	P123-D125 PolarHBondContact O-N 2.72Å; P123-W126 WeakPolarHBondContact O-CB 3.47Å; P123-W126 PolarHBondContact O-N 2.63Å; P123-E164 HydrophobicContact CG-CB 4.28Å; P123-R166 HydrophobicContact CB-CG 4.36Å; P123-R166 HydrophobicContact CG-CG 3.86Å; P123-R166 VanDerWaalsContact CG-CZ 3.46Å
124	D	92.2	Very high	96	Very high	135 Å²	135	27 Å²	27	72%	0.722	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-67.8	-16.8	179.4	-63.8	-31.8	0	0	0	113.5	R122 W126	R122-D124 PolarHBondContact O-N 3.06Å; D124-W126 PolarHBondContact O-N 2.03Å
125	D	93.6	Very high	96.2	Very high	16 Å²	16	19.8 Å²	19.8	9%	0.086	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-83.5	13.7	176.7	-53.3	-41.5	0	0	0	112	K121 R122 P123 F127 E128 P167 A289	K121-D125 HydrophobicContact CB-CB 4.07Å; R122-D125 WeakPolarHBondContact CB-OD2 3.39Å; R122-D125 WeakPolarHBondContact CG-OD2 3.24Å; R122-D125 IonicContact CZ-OD1 2.67Å; R122-D125 IonicContact CZ-OD2 3.29Å; R122-D125 PolarHBondContact N-OD2 3.27Å; R122-D125 IonicContact NE-OD1 3.12Å; R122-D125 PolarHBondContact NE-OD1 2.65Å; R122-D125 IonicContact NE-OD2 3.35Å; R122-D125 PolarHBondContact NE-OD2 2.92Å; R122-D125 IonicContact NH2-OD1 3.82Å; R122-D125 PolarHBondContact NH2-OD1 3.48Å; R122-D125 IonicContact NH2-OD2 3.81Å; R122-D125 WeakPolarHBondContact O-CB 3.23Å; R122-D125 PolarHBondContact O-N 2.68Å; P123-D125 PolarHBondContact O-N 2.72Å; D125-F127 PolarHBondContact O-N 3.36Å; D125-E128 HydrophobicContact CB-CG 4.35Å; D125-E128 WeakPolarHBondContact O-CB 3.41Å; D125-E128 VanDerWaalsContact O-CG 3.23Å; D125-E128 WeakPolarHBondContact O-CG 3.45Å; D125-E128 PolarHBondContact O-N 3.31Å; D125-P167 VanDerWaalsContact C-CG 3.41Å; D125-P167 HydrophobicContact CB-CG 4.08Å; D125-P167 WeakPolarHBondContact O-CG 3.49Å; D125-A289 HydrophobicContact CB-CB 4.24Å
126	W	94.8	Very high	96.4	Very high	48 Å²	48	20.2 Å²	20.2	18%	0.182	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-50.8	-25.7	179.7	65.8	-92.1	0	0	0	114.5	P123 D124 E128 V129 L148 P292 F337 R341 L350	P123-W126 WeakPolarHBondContact O-CB 3.47Å; P123-W126 PolarHBondContact O-N 2.63Å; D124-W126 PolarHBondContact O-N 2.03Å; W126-E128 PolarHBondContact O-N 3.06Å; W126-V129 WeakPolarHBondContact O-CB 3.31Å; W126-V129 PolarHBondContact O-N 2.94Å; W126-V129 VanDerWaalsContact O-N 3.12Å; W126-L148 HydrophobicContact CB-CD1 4.01Å; W126-P292 HydrophobicContact CZ2-CG 4.48Å; W126-F337 AromaticContact CE3-CE2 3.77Å; W126-F337 HydrophobicContact CE3-CE2 3.77Å; W126-F337 HydrophobicContact CE3-CZ 4.06Å; W126-F337 HydrophobicContact CZ3-CE2 4.27Å; W126-F337 HydrophobicContact CZ3-CZ 4.08Å; W126-R341 HydrophobicContact CE3-CG 4.38Å; W126-L350 HydrophobicContact CH2-CD2 3.58Å; W126-L350 HydrophobicContact CZ3-CD2 4.02Å
127	F	95.7	Very high	96.4	Very high	1 Å²	1	19 Å²	19	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-70	-11.6	179	-155.9	-113.5	0	0	0	113.2	D125 V129 F130 A131 L232 A289 P292 L350	D125-F127 PolarHBondContact O-N 3.36Å; F127-V129 PolarHBondContact O-N 2.91Å; F127-F130 HydrophobicContact CD2-CB 3.66Å; F127-F130 HydrophobicContact CD2-CD1 4.04Å; F127-F130 HydrophobicContact CD2-CD2 4.44Å; F127-F130 AromaticContact CD2-CG 3.8Å; F127-F130 HydrophobicContact CD2-CG 3.8Å; F127-F130 HydrophobicContact CE1-CD1 4.16Å; F127-F130 HydrophobicContact CE2-CB 3.88Å; F127-F130 AromaticContact CE2-CD1 3.38Å; F127-F130 HydrophobicContact CE2-CD1 3.38Å; F127-F130 AromaticContact CE2-CD2 3.97Å; F127-F130 HydrophobicContact CE2-CD2 3.97Å; F127-F130 AromaticContact CE2-CE1 3.84Å; F127-F130 HydrophobicContact CE2-CE1 3.84Å; F127-F130 HydrophobicContact CE2-CE2 4.34Å; F127-F130 AromaticContact CE2-CG 3.46Å; F127-F130 HydrophobicContact CE2-CG 3.46Å; F127-F130 VanDerWaalsContact CE2-CG 3.46Å; F127-F130 HydrophobicContact CE2-CZ 4.28Å; F127-F130 HydrophobicContact CG-CB 4.16Å; F127-F130 AromaticContact CZ-CD1 3.48Å; F127-F130 HydrophobicContact CZ-CD1 3.48Å; F127-F130 VanDerWaalsContact CZ-CD1 3.48Å; F127-F130 AromaticContact CZ-CE1 3.72Å; F127-F130 HydrophobicContact CZ-CE1 3.72Å; F127-F130 HydrophobicContact CZ-CG 4.07Å; F127-F130 HydrophobicContact CZ-CZ 4.45Å; F127-F130 WeakPolarHBondContact O-CB 3.37Å; F127-F130 PolarHBondContact O-N 2.87Å; F127-A131 VanDerWaalsContact O-CB 3.31Å; F127-A131 WeakPolarHBondContact O-CB 3.39Å; F127-A131 PolarHBondContact O-N 3.23Å; F127-L232 HydrophobicContact CD1-CD2 4.14Å; F127-L232 HydrophobicContact CE1-CB 4.14Å; F127-L232 HydrophobicContact CE1-CD2 3.31Å; F127-L232 HydrophobicContact CE1-CG 4.29Å; F127-L232 HydrophobicContact CZ-CD2 3.72Å; F127-A289 WeakPolarHBondContact CB-O 3.45Å; F127-A289 WeakPolarHBondContact CD1-O 3.47Å; F127-A289 WeakPolarHBondContact CG-O 3.45Å; F127-P292 HydrophobicContact CD2-CB 4.05Å; F127-P292 HydrophobicContact CD2-CG 4.2Å; F127-P292 HydrophobicContact CE1-CB 4.41Å; F127-P292 HydrophobicContact CE2-CB 3.74Å; F127-P292 HydrophobicContact CE2-CG 4.38Å; F127-P292 HydrophobicContact CG-CG 4.39Å; F127-P292 HydrophobicContact CZ-CB 3.91Å; F127-L350 HydrophobicContact CD2-CD2 4.4Å; F127-L350 HydrophobicContact CE2-CD1 4.15Å; F127-L350 HydrophobicContact CE2-CD2 3.87Å; F127-L350 HydrophobicContact CE2-CG 4.25Å
128	E	97.1	Very high	96.4	Very high	7 Å²	7	19 Å²	19	3%	0.033	9%	0.091	C	C	.	.	H	α-helix	trans	-55.1	-40.5	165.2	-71.8	-71.6	177	0	0	112.2	D125 W126 A131 F132 P167 V169 D287 N288 A289	D125-E128 HydrophobicContact CB-CG 4.35Å; D125-E128 WeakPolarHBondContact O-CB 3.41Å; D125-E128 VanDerWaalsContact O-CG 3.23Å; D125-E128 WeakPolarHBondContact O-CG 3.45Å; D125-E128 PolarHBondContact O-N 3.31Å; W126-E128 PolarHBondContact O-N 3.06Å; E128-A131 PolarHBondContact O-N 2.96Å; E128-F132 PolarHBondContact O-N 3.37Å; E128-P167 HydrophobicContact CB-CB 4.33Å; E128-V169 HydrophobicContact CB-CG2 4.4Å; E128-D287 WeakPolarHBondContact OE1-CA 3.22Å; E128-N288 PolarHBondContact OE1-N 3.2Å; E128-N288 WeakPolarHBondContact OE2-CA 3.4Å; E128-N288 WeakPolarHBondContact OE2-CB 3.47Å; E128-N288 PolarHBondContact OE2-N 2.9Å; E128-N288 PolarHBondContact OE2-ND2 3.22Å; E128-N288 VanDerWaalsContact OE2-ND2 3.12Å; E128-A289 HydrophobicContact CG-CB 4.33Å; E128-A289 PolarHBondContact OE1-N 3.4Å
129	V	98.4	Very high	96.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.2	-44	178.3	-177	0	0	0	0	109.5	W126 F127 A131 F132 H133 A146 V147 L148 P167 F337	W126-V129 WeakPolarHBondContact O-CB 3.31Å; W126-V129 PolarHBondContact O-N 2.94Å; W126-V129 VanDerWaalsContact O-N 3.12Å; F127-V129 PolarHBondContact O-N 2.91Å; V129-A131 VanDerWaalsContact C-N 3.32Å; V129-A131 PolarHBondContact O-N 3.04Å; V129-F132 WeakPolarHBondContact O-CB 3.04Å; V129-F132 PolarHBondContact O-N 3.18Å; V129-H133 PolarHBondContact O-CD2 3.11Å; V129-H133 VanDerWaalsContact O-CD2 3.22Å; V129-H133 PolarHBondContact O-N 3.06Å; V129-H133 VanDerWaalsContact O-N 3.15Å; V129-A146 HydrophobicContact CG2-CB 4.22Å; V129-V147 VanDerWaalsContact CG2-C 3.44Å; V129-L148 HydrophobicContact CG2-CB 4.46Å; V129-L148 HydrophobicContact CG2-CD1 4.41Å; V129-P167 HydrophobicContact CG2-CB 4.26Å; V129-F337 HydrophobicContact CB-CD2 3.63Å; V129-F337 HydrophobicContact CB-CE2 3.81Å; V129-F337 HydrophobicContact CG1-CB 4.22Å; V129-F337 HydrophobicContact CG1-CD2 3.49Å; V129-F337 VanDerWaalsContact CG1-CD2 3.49Å; V129-F337 HydrophobicContact CG1-CE2 4.01Å; V129-F337 HydrophobicContact CG1-CG 3.94Å; V129-F337 HydrophobicContact CG2-CD2 4.32Å
130	F	98.4	Very high	96.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58	-45.2	174.3	-176.4	-79.5	0	0	0	111.8	F127 F132 H133 L134 L232 L327 L331 F337 L350 V351 V354	F127-F130 HydrophobicContact CD2-CB 3.66Å; F127-F130 HydrophobicContact CD2-CD1 4.04Å; F127-F130 HydrophobicContact CD2-CD2 4.44Å; F127-F130 AromaticContact CD2-CG 3.8Å; F127-F130 HydrophobicContact CD2-CG 3.8Å; F127-F130 HydrophobicContact CE1-CD1 4.16Å; F127-F130 HydrophobicContact CE2-CB 3.88Å; F127-F130 AromaticContact CE2-CD1 3.38Å; F127-F130 HydrophobicContact CE2-CD1 3.38Å; F127-F130 AromaticContact CE2-CD2 3.97Å; F127-F130 HydrophobicContact CE2-CD2 3.97Å; F127-F130 AromaticContact CE2-CE1 3.84Å; F127-F130 HydrophobicContact CE2-CE1 3.84Å; F127-F130 HydrophobicContact CE2-CE2 4.34Å; F127-F130 AromaticContact CE2-CG 3.46Å; F127-F130 HydrophobicContact CE2-CG 3.46Å; F127-F130 VanDerWaalsContact CE2-CG 3.46Å; F127-F130 HydrophobicContact CE2-CZ 4.28Å; F127-F130 HydrophobicContact CG-CB 4.16Å; F127-F130 AromaticContact CZ-CD1 3.48Å; F127-F130 HydrophobicContact CZ-CD1 3.48Å; F127-F130 VanDerWaalsContact CZ-CD1 3.48Å; F127-F130 AromaticContact CZ-CE1 3.72Å; F127-F130 HydrophobicContact CZ-CE1 3.72Å; F127-F130 HydrophobicContact CZ-CG 4.07Å; F127-F130 HydrophobicContact CZ-CZ 4.45Å; F127-F130 WeakPolarHBondContact O-CB 3.37Å; F127-F130 PolarHBondContact O-N 2.87Å; F130-F132 PolarHBondContact O-N 3.36Å; F130-H133 PolarHBondContact O-N 3.48Å; F130-L134 HydrophobicContact CE1-CB 4.49Å; F130-L134 HydrophobicContact CE1-CD2 4.47Å; F130-L134 WeakPolarHBondContact O-CB 3.32Å; F130-L134 PolarHBondContact O-N 2.81Å; F130-L232 HydrophobicContact CD1-CD2 3.86Å; F130-L232 HydrophobicContact CE1-CD2 4Å; F130-L327 HydrophobicContact CE1-CD2 3.81Å; F130-L327 HydrophobicContact CE2-CD2 3.88Å; F130-L327 HydrophobicContact CZ-CD2 3.35Å; F130-L327 HydrophobicContact CZ-CG 4.43Å; F130-L331 HydrophobicContact CB-CD2 4.44Å; F130-L331 HydrophobicContact CD2-CD1 3.82Å; F130-L331 HydrophobicContact CD2-CD2 3.99Å; F130-L331 HydrophobicContact CE2-CD1 3.83Å; F130-L331 HydrophobicContact CG-CD2 4.43Å; F130-F337 HydrophobicContact CB-CE2 4.49Å; F130-F337 HydrophobicContact CB-CZ 4.16Å; F130-F337 HydrophobicContact CD2-CZ 4.47Å; F130-L350 HydrophobicContact CD2-CD2 4.22Å; F130-L350 HydrophobicContact CE2-CD2 4.1Å; F130-L350 HydrophobicContact CE2-CG 4.17Å; F130-L350 HydrophobicContact CZ-CG 4.5Å; F130-V351 HydrophobicContact CE2-CG2 3.86Å; F130-V351 HydrophobicContact CZ-CG2 4.24Å; F130-V354 HydrophobicContact CE1-CG2 3.91Å; F130-V354 HydrophobicContact CZ-CG2 3.9Å
131	A	98.5	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-41.5	179	0	0	0	0	0	111.9	F127 E128 V129 L134 D135 F228 L232 N288	F127-A131 VanDerWaalsContact O-CB 3.31Å; F127-A131 WeakPolarHBondContact O-CB 3.39Å; F127-A131 PolarHBondContact O-N 3.23Å; E128-A131 PolarHBondContact O-N 2.96Å; V129-A131 VanDerWaalsContact C-N 3.32Å; V129-A131 PolarHBondContact O-N 3.04Å; A131-L134 PolarHBondContact O-N 2.9Å; A131-D135 WeakPolarHBondContact O-CB 3.15Å; A131-D135 PolarHBondContact O-N 2.99Å; A131-F228 HydrophobicContact CB-CE1 4.45Å; A131-F228 HydrophobicContact CB-CZ 3.79Å; A131-F228 VanDerWaalsContact O-CE2 3.29Å; A131-F228 WeakPolarHBondContact O-CE2 3.41Å; A131-F228 VanDerWaalsContact O-CZ 3.27Å; A131-F228 WeakPolarHBondContact O-CZ 3.41Å; A131-L232 HydrophobicContact CB-CD1 3.47Å; A131-L232 VanDerWaalsContact CB-CD1 3.47Å; A131-L232 HydrophobicContact CB-CD2 4.27Å; A131-N288 HydrophobicContact CB-CB 3.5Å
132	F	98.7	Very high	96.6	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-57.9	-50	173.3	166.3	-113.4	0	0	0	112.4	L63 D67 M71 E128 V129 F130 L134 D135 R136 S143 L144 P145 A146	L63-F132 HydrophobicContact CD2-CE1 4.07Å; L63-F132 HydrophobicContact CD2-CZ 3.79Å; D67-F132 HydrophobicContact CB-CZ 4.14Å; M71-F132 HydrophobicContact CE-CE1 4.15Å; M71-F132 HydrophobicContact CG-CE1 4.14Å; M71-F132 HydrophobicContact CG-CZ 4.47Å; M71-F132 HydrophobicContact SD-CE1 3.7Å; M71-F132 HydrophobicContact SD-CZ 4.17Å; E128-F132 PolarHBondContact O-N 3.37Å; V129-F132 WeakPolarHBondContact O-CB 3.04Å; V129-F132 PolarHBondContact O-N 3.18Å; F130-F132 PolarHBondContact O-N 3.36Å; F132-L134 VanDerWaalsContact C-N 3.34Å; F132-L134 PolarHBondContact O-N 2.86Å; F132-D135 WeakPolarHBondContact O-CB 3.15Å; F132-D135 PolarHBondContact O-N 3.48Å; F132-R136 HydrophobicContact CD2-CG 4.29Å; F132-R136 HydrophobicContact CE2-CG 3.8Å; F132-R136 HydrophobicContact CZ-CG 4.18Å; F132-R136 WeakPolarHBondContact O-CG 3.32Å; F132-R136 PolarHBondContact O-N 3.43Å; F132-S143 WeakPolarHBondContact CA-OG 3.34Å; F132-L144 VanDerWaalsContact CD2-O 3.29Å; F132-L144 WeakPolarHBondContact CD2-O 3.48Å; F132-P145 VanDerWaalsContact CE2-CA 3.49Å; F132-P145 HydrophobicContact CE2-CB 4.13Å; F132-P145 HydrophobicContact CE2-CG 4.09Å; F132-P145 HydrophobicContact CZ-CB 4.11Å; F132-P145 HydrophobicContact CZ-CG 4.37Å; F132-A146 HydrophobicContact CB-CB 4.02Å; F132-A146 WeakPolarHBondContact CD1-O 3.1Å; F132-A146 HydrophobicContact CG-CB 4.41Å
133	H	98.4	Very high	96.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.6	-37.3	178.7	-77.2	-79.1	0	0	0	112.9	V129 F130 R136 V137 L327 S330 L331	V129-H133 PolarHBondContact O-CD2 3.11Å; V129-H133 VanDerWaalsContact O-CD2 3.22Å; V129-H133 PolarHBondContact O-N 3.06Å; V129-H133 VanDerWaalsContact O-N 3.15Å; F130-H133 PolarHBondContact O-N 3.48Å; H133-R136 PolarHBondContact O-N 2.62Å; H133-V137 WeakPolarHBondContact O-CG2 3.32Å; H133-V137 PolarHBondContact O-N 2.92Å; H133-V137 VanDerWaalsContact O-N 3.09Å; H133-L327 HydrophobicContact CB-CD1 3.81Å; H133-S330 PolarHBondContact CE1-O 2.92Å; H133-S330 VanDerWaalsContact ND1-C 3.3Å; H133-S330 PolarHBondContact ND1-O 2.87Å; H133-S330 PolarHBondContact ND1-OG 3.07Å; H133-L331 HydrophobicContact CB-CD2 3.69Å; H133-L331 HydrophobicContact CB-CG 4.31Å
134	L	98.6	Very high	97	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.9	-45.7	175.3	178	65.3	0	0	0	111.7	F130 A131 F132 R136 V137 L138 F228 L231 L232 L323 L327 V354	F130-L134 HydrophobicContact CE1-CB 4.49Å; F130-L134 HydrophobicContact CE1-CD2 4.47Å; F130-L134 WeakPolarHBondContact O-CB 3.32Å; F130-L134 PolarHBondContact O-N 2.81Å; A131-L134 PolarHBondContact O-N 2.9Å; F132-L134 VanDerWaalsContact C-N 3.34Å; F132-L134 PolarHBondContact O-N 2.86Å; L134-R136 VanDerWaalsContact C-N 3.29Å; L134-R136 PolarHBondContact O-N 2.68Å; L134-V137 PolarHBondContact O-N 3.42Å; L134-L138 HydrophobicContact CD1-CD1 3.71Å; L134-L138 HydrophobicContact CD1-CG 3.93Å; L134-L138 HydrophobicContact CD2-CD1 4.35Å; L134-L138 HydrophobicContact CG-CD1 3.74Å; L134-L138 HydrophobicContact CG-CG 4.31Å; L134-L138 WeakPolarHBondContact O-CB 3.47Å; L134-L138 VanDerWaalsContact O-CG 3.3Å; L134-L138 WeakPolarHBondContact O-CG 3.42Å; L134-L138 PolarHBondContact O-N 2.97Å; L134-F228 HydrophobicContact CB-CE2 4.41Å; L134-F228 HydrophobicContact CD2-CD2 4.44Å; L134-F228 HydrophobicContact CD2-CE2 4.3Å; L134-F228 HydrophobicContact CG-CE2 4.37Å; L134-L231 HydrophobicContact CD2-CB 4.17Å; L134-L231 HydrophobicContact CD2-CD1 4.45Å; L134-L232 HydrophobicContact CD2-CD1 4.38Å; L134-L232 HydrophobicContact CD2-CD2 3.55Å; L134-L232 HydrophobicContact CD2-CG 3.82Å; L134-L323 HydrophobicContact CD1-CD1 3.78Å; L134-L323 HydrophobicContact CD1-CD2 4.2Å; L134-L323 HydrophobicContact CD1-CG 4.49Å; L134-L327 HydrophobicContact CB-CD1 4.24Å; L134-L327 HydrophobicContact CB-CD2 4.32Å; L134-L327 HydrophobicContact CD1-CD2 3.92Å; L134-V354 HydrophobicContact CD1-CG1 4.33Å; L134-V354 HydrophobicContact CD2-CG1 4.05Å
135	D	98.6	Very high	97.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-55.1	-45.7	178.5	171.8	104.2	0	0	0	111.6	A131 F132 L138 G139 L140 N141 R142 S143 F228	A131-D135 WeakPolarHBondContact O-CB 3.15Å; A131-D135 PolarHBondContact O-N 2.99Å; F132-D135 WeakPolarHBondContact O-CB 3.15Å; F132-D135 PolarHBondContact O-N 3.48Å; D135-L138 PolarHBondContact O-N 3.24Å; D135-G139 PolarHBondContact O-N 3.26Å; D135-G139 VanDerWaalsContact O-N 3.07Å; D135-L140 PolarHBondContact O-N 3.03Å; D135-L140 WeakPolarHBondContact OD1-CB 3.21Å; D135-N141 WeakPolarHBondContact OD2-CA 3.31Å; D135-N141 PolarHBondContact OD2-N 3.37Å; D135-R142 PolarHBondContact OD1-N 2.9Å; D135-R142 PolarHBondContact OD2-N 3.44Å; D135-R142 VanDerWaalsContact OD2-N 3.15Å; D135-S143 WeakPolarHBondContact CB-OG 3.3Å; D135-S143 PolarHBondContact OD1-N 3.38Å; D135-F228 HydrophobicContact CB-CD2 4.41Å; D135-F228 HydrophobicContact CB-CE2 3.66Å; D135-F228 HydrophobicContact CB-CZ 4.07Å
136	R	97.8	Very high	97.5	Very high	20 Å²	20	10.8 Å²	10.8	8%	0.075	5%	0.053	C	C	.	.	H	α-helix	trans	-68.1	-44.4	180	-64.5	-58.6	-169.9	-97.4	0.3	112.1	W62 L63 D67 F132 H133 L134 L138 G139 N141 S143	W62-R136 HydrophobicContact CB-CB 4.49Å; W62-R136 WeakPolarHBondContact CB-O 3.43Å; L63-R136 HydrophobicContact CD2-CB 4.22Å; L63-R136 HydrophobicContact CD2-CG 3.98Å; D67-R136 VanDerWaalsContact CG-NE 3.3Å; D67-R136 IonicContact OD1-CZ 2.72Å; D67-R136 VanDerWaalsContact OD1-CZ 3.28Å; D67-R136 IonicContact OD1-NE 3.11Å; D67-R136 PolarHBondContact OD1-NE 3.15Å; D67-R136 IonicContact OD1-NH2 2.65Å; D67-R136 PolarHBondContact OD1-NH2 3.06Å; D67-R136 IonicContact OD2-CZ 3.64Å; D67-R136 IonicContact OD2-NE 2.63Å; D67-R136 PolarHBondContact OD2-NE 3.12Å; D67-R136 IonicContact OD2-NH2 3.36Å; F132-R136 HydrophobicContact CD2-CG 4.29Å; F132-R136 HydrophobicContact CE2-CG 3.8Å; F132-R136 HydrophobicContact CZ-CG 4.18Å; F132-R136 WeakPolarHBondContact O-CG 3.32Å; F132-R136 PolarHBondContact O-N 3.43Å; H133-R136 PolarHBondContact O-N 2.62Å; L134-R136 VanDerWaalsContact C-N 3.29Å; L134-R136 PolarHBondContact O-N 2.68Å; R136-L138 VanDerWaalsContact C-N 3.31Å; R136-L138 PolarHBondContact O-N 3.01Å; R136-G139 WeakPolarHBondContact O-CA 3.45Å; R136-G139 PolarHBondContact O-N 3.4Å; R136-N141 WeakPolarHBondContact CD-OD1 3.34Å; R136-S143 PolarHBondContact NH1-O 2.85Å; R136-S143 PolarHBondContact NH2-O 2.96Å; R136-S143 VanDerWaalsContact NH2-O 3.12Å
137	V	96.5	Very high	97.7	Very high	9 Å²	9	8.5 Å²	8.5	6%	0.055	4%	0.044	C	C	.	.	H	α-helix	trans	-61.9	-39	176.8	165.5	0	0	0	0	112.1	W62 H133 L134 G139 V317 L323 L326 L327	W62-V137 HydrophobicContact CD2-CG2 4.21Å; W62-V137 HydrophobicContact CG-CG2 4.24Å; H133-V137 WeakPolarHBondContact O-CG2 3.32Å; H133-V137 PolarHBondContact O-N 2.92Å; H133-V137 VanDerWaalsContact O-N 3.09Å; L134-V137 PolarHBondContact O-N 3.42Å; V137-G139 PolarHBondContact O-N 3.3Å; V137-V317 HydrophobicContact CG1-CG1 4.44Å; V137-L323 HydrophobicContact CG1-CD1 3.78Å; V137-L326 HydrophobicContact CG1-CB 3.56Å; V137-L326 HydrophobicContact CG1-CD1 4.29Å; V137-L326 HydrophobicContact CG2-CB 4.34Å; V137-L327 HydrophobicContact CG2-CD1 4.3Å
138	L	96.7	Very high	97.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.3	174.9	-66.6	175.2	0	0	0	113.1	L134 D135 R136 L140 L227 L231 A314 V317 L318 L323	L134-L138 HydrophobicContact CD1-CD1 3.71Å; L134-L138 HydrophobicContact CD1-CG 3.93Å; L134-L138 HydrophobicContact CD2-CD1 4.35Å; L134-L138 HydrophobicContact CG-CD1 3.74Å; L134-L138 HydrophobicContact CG-CG 4.31Å; L134-L138 WeakPolarHBondContact O-CB 3.47Å; L134-L138 VanDerWaalsContact O-CG 3.3Å; L134-L138 WeakPolarHBondContact O-CG 3.42Å; L134-L138 PolarHBondContact O-N 2.97Å; D135-L138 PolarHBondContact O-N 3.24Å; R136-L138 VanDerWaalsContact C-N 3.31Å; R136-L138 PolarHBondContact O-N 3.01Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 HydrophobicContact CB-CD1 4.27Å; L138-L140 HydrophobicContact CB-CD2 4.48Å; L138-L140 HydrophobicContact CB-CG 3.87Å; L138-L140 HydrophobicContact CD1-CD1 4.2Å; L138-L227 HydrophobicContact CD1-CD2 3.85Å; L138-L231 HydrophobicContact CD1-CD1 3.55Å; L138-A314 HydrophobicContact CB-CB 3.95Å; L138-A314 HydrophobicContact CD2-CB 4.16Å; L138-A314 WeakPolarHBondContact O-CA 3.36Å; L138-A314 WeakPolarHBondContact O-CB 3.23Å; L138-A314 PolarHBondContact O-N 2.85Å; L138-V317 HydrophobicContact CD2-CB 4.37Å; L138-V317 HydrophobicContact CD2-CG1 4.22Å; L138-L318 HydrophobicContact CD2-CD2 4.3Å; L138-L318 HydrophobicContact CD2-CG 4.48Å; L138-L323 HydrophobicContact CD2-CD1 4.1Å
139	G	95.6	Very high	97.9	Very high	8 Å²	8	8.9 Å²	8.9	8%	0.082	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	21.5	-179	0	0	0	0	0	114.2	D135 R136 V137 N141	D135-G139 PolarHBondContact O-N 3.26Å; D135-G139 VanDerWaalsContact O-N 3.07Å; R136-G139 WeakPolarHBondContact O-CA 3.45Å; R136-G139 PolarHBondContact O-N 3.4Å; V137-G139 PolarHBondContact O-N 3.3Å; G139-N141 PolarHBondContact O-ND2 2.01Å
140	L	97.3	Very high	97.8	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.01	5%	0.053	C	C	.	.			trans	-71.2	-42.7	-179.7	-57.5	179.8	0	0	0	110.7	D135 L138 R142 R224 L227 F228 F285 P311 A314	D135-L140 PolarHBondContact O-N 3.03Å; D135-L140 WeakPolarHBondContact OD1-CB 3.21Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 HydrophobicContact CB-CD1 4.27Å; L138-L140 HydrophobicContact CB-CD2 4.48Å; L138-L140 HydrophobicContact CB-CG 3.87Å; L138-L140 HydrophobicContact CD1-CD1 4.2Å; L140-R142 WeakPolarHBondContact O-CG 3.47Å; L140-R142 PolarHBondContact O-NH1 3.47Å; L140-R224 HydrophobicContact CD2-CB 4.16Å; L140-R224 HydrophobicContact CD2-CG 4.06Å; L140-L227 HydrophobicContact CD1-CD2 4.38Å; L140-F228 HydrophobicContact CD1-CB 3.76Å; L140-F228 HydrophobicContact CD1-CD2 3.67Å; L140-F228 HydrophobicContact CD1-CG 4.04Å; L140-F285 HydrophobicContact CD1-CE2 4.43Å; L140-P311 HydrophobicContact CD2-CB 4.42Å; L140-P311 HydrophobicContact CD2-CG 3.76Å; L140-A314 HydrophobicContact CD2-CB 4.09Å
141	N	96.9	Very high	97.6	Very high	77 Å²	77	10.2 Å²	10.2	41%	0.412	5%	0.054	S	C	.	.			trans	55.8	50.7	178.7	-57.1	-46.9	0	0	0	112.5	D135 R136 G139	D135-N141 WeakPolarHBondContact OD2-CA 3.31Å; D135-N141 PolarHBondContact OD2-N 3.37Å; R136-N141 WeakPolarHBondContact CD-OD1 3.34Å; G139-N141 PolarHBondContact O-ND2 2.01Å
142	R	97.5	Very high	97.3	Very high	29 Å²	29	20.4 Å²	20.4	11%	0.109	9%	0.092	C	C	.	.			trans	-126.8	-28.2	-176.2	-64.2	-62.5	176.8	-91.2	-1.4	114.3	D135 L140 E221 L283 F285	D135-R142 PolarHBondContact OD1-N 2.9Å; D135-R142 PolarHBondContact OD2-N 3.44Å; D135-R142 VanDerWaalsContact OD2-N 3.15Å; L140-R142 WeakPolarHBondContact O-CG 3.47Å; L140-R142 PolarHBondContact O-NH1 3.47Å; R142-E221 WeakPolarHBondContact CD-OE2 3.34Å; R142-E221 IonicContact CZ-OE1 2.7Å; R142-E221 IonicContact CZ-OE2 2.7Å; R142-E221 IonicContact NE-OE1 3.36Å; R142-E221 PolarHBondContact NE-OE1 2.83Å; R142-E221 IonicContact NE-OE2 3.84Å; R142-E221 PolarHBondContact NE-OE2 3.02Å; R142-E221 IonicContact NH2-OE1 2.77Å; R142-E221 PolarHBondContact NH2-OE1 3.03Å; R142-E221 IonicContact NH2-OE2 3.43Å; R142-L283 WeakPolarHBondContact CD-O 3.3Å; R142-F285 HydrophobicContact CB-CB 4.43Å; R142-F285 HydrophobicContact CB-CD1 3.85Å; R142-F285 HydrophobicContact CB-CD2 3.5Å; R142-F285 VanDerWaalsContact CB-CD2 3.5Å; R142-F285 HydrophobicContact CB-CE1 3.84Å; R142-F285 HydrophobicContact CB-CE2 3.51Å; R142-F285 HydrophobicContact CB-CG 3.66Å; R142-F285 HydrophobicContact CB-CZ 3.66Å; R142-F285 HydrophobicContact CG-CD2 4.47Å; R142-F285 HydrophobicContact CG-CE1 4.17Å; R142-F285 HydrophobicContact CG-CE2 4.01Å; R142-F285 HydrophobicContact CG-CZ 3.81Å; R142-F285 PolarHBondContact O-N 2.85Å
143	S	97.9	Very high	96.8	Very high	5 Å²	5	22 Å²	22	4%	0.035	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-75.5	156.6	171.9	65.3	0	0	0	0	112.4	F132 D135 R136 F285	F132-S143 WeakPolarHBondContact CA-OG 3.34Å; D135-S143 WeakPolarHBondContact CB-OG 3.3Å; D135-S143 PolarHBondContact OD1-N 3.38Å; R136-S143 PolarHBondContact NH1-O 2.85Å; R136-S143 PolarHBondContact NH2-O 2.96Å; R136-S143 VanDerWaalsContact NH2-O 3.12Å; S143-F285 WeakPolarHBondContact CA-O 3.42Å
144	L	98.1	Very high	96.4	Very high	13 Å²	13	30.7 Å²	30.7	7%	0.068	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-82.6	147.3	178.1	-57.2	178.3	0	0	0	111	F132 A146 V169 W170 D172 I175 V284 I286	F132-L144 VanDerWaalsContact CD2-O 3.29Å; F132-L144 WeakPolarHBondContact CD2-O 3.48Å; L144-A146 PolarHBondContact O-N 3.09Å; L144-V169 HydrophobicContact CB-CG1 3.96Å; L144-V169 HydrophobicContact CD1-CG1 4.33Å; L144-W170 WeakPolarHBondContact CD1-O 3.49Å; L144-W170 HydrophobicContact CD2-CE3 4.04Å; L144-W170 HydrophobicContact CD2-CZ3 4.22Å; L144-D172 HydrophobicContact CD1-CB 4.23Å; L144-D172 HydrophobicContact CD2-CB 4.12Å; L144-D172 WeakPolarHBondContact CD2-OD2 3.45Å; L144-I175 HydrophobicContact CD1-CD1 3.96Å; L144-I175 HydrophobicContact CD2-CD1 4.47Å; L144-V284 HydrophobicContact CD2-CG1 3.81Å; L144-V284 HydrophobicContact CG-CG1 4.19Å; L144-I286 HydrophobicContact CD1-CG2 3.88Å; L144-I286 HydrophobicContact CG-CG2 4.35Å
145	P	98.4	Very high	96.1	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.032	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-53.5	131.3	172.9	-30.2	39.9	0	0	0	112.2	K70 L74 F132 W170	K70-P145 HydrophobicContact CB-CB 3.88Å; K70-P145 HydrophobicContact CB-CG 4.03Å; K70-P145 HydrophobicContact CD-CB 4.37Å; K70-P145 HydrophobicContact CD-CG 3.72Å; L74-P145 HydrophobicContact CD1-CB 4.32Å; L74-P145 WeakPolarHBondContact CD1-O 3.25Å; F132-P145 VanDerWaalsContact CE2-CA 3.49Å; F132-P145 HydrophobicContact CE2-CB 4.13Å; F132-P145 HydrophobicContact CE2-CG 4.09Å; F132-P145 HydrophobicContact CZ-CB 4.11Å; F132-P145 HydrophobicContact CZ-CG 4.37Å; P145-W170 HydrophobicContact CB-CB 4.3Å; P145-W170 WeakPolarHBondContact O-CB 2.84Å; P145-W170 PolarHBondContact O-N 3.05Å
146	A	98.6	Very high	95.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.5	-178.3	0	0	0	0	0	109.5	V129 F132 L144 A168 V169	V129-A146 HydrophobicContact CG2-CB 4.22Å; F132-A146 HydrophobicContact CB-CB 4.02Å; F132-A146 WeakPolarHBondContact CD1-O 3.1Å; F132-A146 HydrophobicContact CG-CB 4.41Å; L144-A146 PolarHBondContact O-N 3.09Å; A146-A168 WeakPolarHBondContact CA-O 3.1Å; A146-V169 HydrophobicContact CB-CG2 4.05Å
147	V	98.7	Very high	95.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	161.4	173.2	-55.9	0	0	0	0	109.4	I51 M71 L74 A75 V129 P167 A168 D334	I51-V147 HydrophobicContact CD1-CG1 4.01Å; M71-V147 HydrophobicContact CB-CG1 3.77Å; M71-V147 HydrophobicContact CE-CG1 3.9Å; M71-V147 HydrophobicContact CG-CG1 3.78Å; L74-V147 HydrophobicContact CB-CG1 4.42Å; L74-V147 HydrophobicContact CB-CG2 3.45Å; L74-V147 VanDerWaalsContact CB-CG2 3.45Å; L74-V147 HydrophobicContact CD1-CG2 4.48Å; A75-V147 HydrophobicContact CB-CG2 4.17Å; V129-V147 VanDerWaalsContact CG2-C 3.44Å; V147-P167 WeakPolarHBondContact O-CA 3.28Å; V147-A168 HydrophobicContact CG2-CB 4.09Å; V147-A168 PolarHBondContact N-O 2.93Å; V147-A168 VanDerWaalsContact N-O 3.09Å; V147-A168 PolarHBondContact O-N 3.39Å; V147-D334 WeakPolarHBondContact CA-OD2 3.49Å; V147-D334 VanDerWaalsContact CB-OD2 3.28Å; V147-D334 WeakPolarHBondContact CB-OD2 3.41Å
148	L	98.1	Very high	95.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.9	167.1	-151.8	72.2	0	0	0	109.7	W126 V129 P165 R166 P167 D334 E336 F337 S340	W126-L148 HydrophobicContact CB-CD1 4.01Å; V129-L148 HydrophobicContact CG2-CB 4.46Å; V129-L148 HydrophobicContact CG2-CD1 4.41Å; L148-P165 HydrophobicContact CD1-CB 4.45Å; L148-P165 HydrophobicContact CD2-CB 3.54Å; L148-P165 HydrophobicContact CD2-CG 4.47Å; L148-P165 HydrophobicContact CG-CB 3.63Å; L148-R166 VanDerWaalsContact CD1-C 3.45Å; L148-P167 HydrophobicContact CD1-CG 4.48Å; L148-D334 PolarHBondContact N-OD2 3.48Å; L148-E336 HydrophobicContact CB-CG 4.41Å; L148-E336 WeakPolarHBondContact O-CB 3.36Å; L148-F337 HydrophobicContact CB-CB 3.88Å; L148-F337 HydrophobicContact CB-CD2 4.32Å; L148-F337 HydrophobicContact CD2-CD2 4.46Å; L148-S340 WeakPolarHBondContact CD2-OG 3.29Å
149	R	97.4	Very high	94.9	Very high	14 Å²	14	48.8 Å²	48.8	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	132.2	-179.1	177.4	170.1	167.7	173.8	-0.7	112.3	L74 G77 F151 D153 R166 A168 E336	L74-R149 WeakPolarHBondContact O-CD 3.17Å; L74-R149 PolarHBondContact O-NH1 3Å; G77-R149 VanDerWaalsContact O-CZ 3.25Å; G77-R149 PolarHBondContact O-NH1 3.16Å; G77-R149 PolarHBondContact O-NH2 3.43Å; R149-F151 HydrophobicContact CB-CD2 4.35Å; R149-F151 HydrophobicContact CB-CE2 3.87Å; R149-F151 HydrophobicContact CB-CZ 4.18Å; R149-F151 HydrophobicContact CG-CD1 4.38Å; R149-F151 HydrophobicContact CG-CD2 4.04Å; R149-F151 HydrophobicContact CG-CE1 4.24Å; R149-F151 HydrophobicContact CG-CE2 3.88Å; R149-F151 HydrophobicContact CG-CG 4.29Å; R149-F151 HydrophobicContact CG-CZ 3.99Å; R149-F151 WeakPolarHBondContact O-CD2 3.49Å; R149-D153 IonicContact NH2-OD2 3.82Å; R149-D153 PolarHBondContact NH2-OD2 3.45Å; R149-R166 PolarHBondContact N-O 3.21Å; R149-R166 PolarHBondContact O-N 2.9Å; R149-A168 HydrophobicContact CB-CB 4.38Å; R149-E336 VanDerWaalsContact CA-OE2 3.3Å; R149-E336 WeakPolarHBondContact CA-OE2 3.29Å
150	T	97.1	Very high	94.7	Very high	27 Å²	27	48.6 Å²	48.6	17%	0.166	22%	0.217	C	C	.	.			trans	-86.5	109.4	164.5	-63.8	0	0	0	0	108.2	R152 P165 E336	T150-R152 HydrophobicContact CG2-CG 4.35Å; T150-P165 WeakPolarHBondContact OG1-CG 3.27Å; T150-E336 WeakPolarHBondContact CA-OE1 3.4Å; T150-E336 WeakPolarHBondContact CB-OE1 3.32Å; T150-E336 PolarHBondContact N-OE1 3.43Å; T150-E336 PolarHBondContact N-OE2 3.32Å; T150-E336 VanDerWaalsContact N-OE2 3.11Å; T150-E336 PolarHBondContact OG1-OE1 3.03Å
151	F	94.9	Very high	94.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.009	23%	0.229	C	C	.	.			trans	-81.4	139.7	176.2	-68.2	-92.1	0	0	0	110.9	V79 V120 R149 L156 F160 T161 A168	V79-F151 HydrophobicContact CG2-CD1 3.94Å; V79-F151 HydrophobicContact CG2-CE1 3.98Å; V120-F151 HydrophobicContact CB-CE2 4.45Å; V120-F151 HydrophobicContact CG1-CD2 4.11Å; V120-F151 HydrophobicContact CG1-CE2 3.71Å; V120-F151 HydrophobicContact CG1-CZ 4.3Å; V120-F151 HydrophobicContact CG2-CE1 4.17Å; V120-F151 HydrophobicContact CG2-CE2 3.91Å; V120-F151 HydrophobicContact CG2-CZ 3.61Å; R149-F151 HydrophobicContact CB-CD2 4.35Å; R149-F151 HydrophobicContact CB-CE2 3.87Å; R149-F151 HydrophobicContact CB-CZ 4.18Å; R149-F151 HydrophobicContact CG-CD1 4.38Å; R149-F151 HydrophobicContact CG-CD2 4.04Å; R149-F151 HydrophobicContact CG-CE1 4.24Å; R149-F151 HydrophobicContact CG-CE2 3.88Å; R149-F151 HydrophobicContact CG-CG 4.29Å; R149-F151 HydrophobicContact CG-CZ 3.99Å; R149-F151 WeakPolarHBondContact O-CD2 3.49Å; F151-L156 HydrophobicContact CB-CD1 3.64Å; F151-L156 HydrophobicContact CD1-CD1 3.55Å; F151-L156 HydrophobicContact CE1-CD1 4.42Å; F151-L156 HydrophobicContact CG-CD1 3.78Å; F151-F160 WeakPolarHBondContact CB-O 3.23Å; F151-T161 WeakPolarHBondContact O-CA 3.46Å; F151-A168 HydrophobicContact CE2-CB 4.3Å; F151-A168 HydrophobicContact CZ-CB 3.94Å
152	R	92.4	Very high	94.1	Very high	213 Å²	213	49.9 Å²	49.9	80%	0.804	23%	0.226	S	C	*	.			trans	-130.8	3	178	-59.4	-177.5	-176.1	170.4	1.4	112.3	T150 H154	T150-R152 HydrophobicContact CG2-CG 4.35Å; R152-H154 PolarHBondContact O-N 3.35Å
153	D	88.3	Confident	93.8	Very high	36 Å²	36	50.7 Å²	50.7	19%	0.193	24%	0.244	C	C	.	.			trans	-71	122.9	-173.5	-56.6	-88.6	0	0	0	110.8	V79 R149 I155 L156	V79-D153 HydrophobicContact CB-CB 3.87Å; V79-D153 HydrophobicContact CG2-CB 4.17Å; V79-D153 WeakPolarHBondContact CG2-OD2 3.33Å; R149-D153 IonicContact NH2-OD2 3.82Å; R149-D153 PolarHBondContact NH2-OD2 3.45Å; D153-I155 PolarHBondContact O-N 3.18Å; D153-L156 HydrophobicContact CB-CD1 4.35Å; D153-L156 HydrophobicContact CB-CG 4.38Å; D153-L156 WeakPolarHBondContact O-CB 2.97Å; D153-L156 PolarHBondContact O-N 3.07Å
154	H	88.6	Confident	93.6	Very high	181 Å²	181	55.4 Å²	55.4	84%	0.838	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.3	-178.8	64	-82.2	0	0	0	114.4	R152 L156	R152-H154 PolarHBondContact O-N 3.35Å; H154-L156 PolarHBondContact O-N 3.22Å
155	I	93.1	Very high	93.5	Very high	55 Å²	55	55.8 Å²	55.8	28%	0.282	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.6	173	-60	-172.5	0	0	0	110.7	V79 K82 D153	V79-I155 HydrophobicContact CG1-CB 4.48Å; V79-I155 HydrophobicContact CG1-CG2 4.49Å; V79-I155 WeakPolarHBondContact O-CD1 3.47Å; K82-I155 HydrophobicContact CD-CG2 4.24Å; K82-I155 VanDerWaalsContact CD-O 3.27Å; K82-I155 WeakPolarHBondContact CD-O 2.99Å; K82-I155 WeakPolarHBondContact CE-O 3.45Å; K82-I155 HydrophobicContact CG-CG2 4.26Å; D153-I155 PolarHBondContact O-N 3.18Å
156	L	92.9	Very high	93.4	Very high	9 Å²	9	56.4 Å²	56.4	5%	0.047	27%	0.27	C	S	.	.	S	Bend	trans	-83.8	144.8	-175.2	-60	178.3	0	0	0	111.3	V79 K82 L92 V94 F151 D153 H154 F160 T161	V79-L156 HydrophobicContact CG1-CD2 3.99Å; V79-L156 HydrophobicContact CG1-CG 4.19Å; V79-L156 HydrophobicContact CG2-CD1 4.29Å; K82-L156 HydrophobicContact CB-CD2 4.35Å; K82-L156 HydrophobicContact CD-CD2 4.2Å; L92-L156 HydrophobicContact CD2-CD2 3.54Å; V94-L156 HydrophobicContact CG1-CD2 3.65Å; F151-L156 HydrophobicContact CB-CD1 3.64Å; F151-L156 HydrophobicContact CD1-CD1 3.55Å; F151-L156 HydrophobicContact CE1-CD1 4.42Å; F151-L156 HydrophobicContact CG-CD1 3.78Å; D153-L156 HydrophobicContact CB-CD1 4.35Å; D153-L156 HydrophobicContact CB-CG 4.38Å; D153-L156 WeakPolarHBondContact O-CB 2.97Å; D153-L156 PolarHBondContact O-N 3.07Å; H154-L156 PolarHBondContact O-N 3.22Å; L156-F160 HydrophobicContact CB-CB 4.18Å; L156-T161 HydrophobicContact CB-CG2 3.79Å
157	P	91.4	Very high	93.4	Very high	53 Å²	53	56.4 Å²	56.4	34%	0.344	27%	0.27	S	S	.	.			trans	-60.7	151.6	172.9	-18.8	30	0	0	0	111.7	R159 F160	P157-R159 HydrophobicContact CB-CG 4.45Å; P157-R159 PolarHBondContact O-N 2.94Å; P157-F160 HydrophobicContact CB-CD2 4.14Å; P157-F160 HydrophobicContact CG-CD2 4.02Å; P157-F160 HydrophobicContact CG-CE2 4.26Å; P157-F160 WeakPolarHBondContact O-CB 3.24Å; P157-F160 PolarHBondContact O-N 2.94Å
158	Y	90.5	Very high	93.3	Very high	184 Å²	184	56.4 Å²	56.4	72%	0.722	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-48.1	-39.7	-178.7	178.4	-102.9	0	0	0	114.2	F160 T161 D162	Y158-F160 PolarHBondContact O-N 3.04Å; Y158-T161 CarbonylContact O-C 3.46Å; Y158-T161 PolarHBondContact O-N 3.06Å; Y158-T161 PolarHBondContact O-OG1 2.82Å; Y158-D162 HydrophobicContact CE1-CB 4.41Å; Y158-D162 PolarHBondContact O-N 2.62Å; Y158-D162 VanDerWaalsContact O-N 3.16Å
159	R	89.6	Confident	93.3	Very high	108 Å²	108	56.9 Å²	56.9	41%	0.408	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-60.5	-9	177.9	78.7	167.8	-143.4	-170.2	0.8	115	G89 Q90 P157 R166	G89-R159 PolarHBondContact O-NH1 3.15Å; G89-R159 PolarHBondContact O-NH2 3.33Å; Q90-R159 VanDerWaalsContact C-NH2 3.31Å; Q90-R159 VanDerWaalsContact CA-NH2 3.34Å; Q90-R159 PolarHBondContact O-NH2 2.68Å; Q90-R159 VanDerWaalsContact O-NH2 3.15Å; P157-R159 HydrophobicContact CB-CG 4.45Å; P157-R159 PolarHBondContact O-N 2.94Å; R159-R166 PolarHBondContact O-NH1 3.13Å; R159-R166 VanDerWaalsContact O-NH1 3.15Å; R159-R166 PolarHBondContact O-NH2 2.63Å
160	F	91	Very high	93.4	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.018	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-110.9	-7.5	176.5	-68.6	-84.9	0	0	0	112.1	L92 V120 F151 L156 P157 Y158	L92-F160 HydrophobicContact CB-CE1 3.79Å; L92-F160 HydrophobicContact CB-CE2 4.1Å; L92-F160 HydrophobicContact CB-CZ 3.45Å; L92-F160 VanDerWaalsContact CB-CZ 3.45Å; L92-F160 HydrophobicContact CD2-CD2 4.2Å; L92-F160 HydrophobicContact CD2-CE2 3.96Å; L92-F160 HydrophobicContact CD2-CZ 4.12Å; L92-F160 HydrophobicContact CG-CZ 4.33Å; V120-F160 HydrophobicContact CB-CD1 4.32Å; V120-F160 HydrophobicContact CB-CE1 4.26Å; V120-F160 HydrophobicContact CG1-CD1 3.67Å; V120-F160 HydrophobicContact CG1-CE1 3.99Å; F151-F160 WeakPolarHBondContact CB-O 3.23Å; L156-F160 HydrophobicContact CB-CB 4.18Å; P157-F160 HydrophobicContact CB-CD2 4.14Å; P157-F160 HydrophobicContact CG-CD2 4.02Å; P157-F160 HydrophobicContact CG-CE2 4.26Å; P157-F160 WeakPolarHBondContact O-CB 3.24Å; P157-F160 PolarHBondContact O-N 2.94Å; Y158-F160 PolarHBondContact O-N 3.04Å
161	T	92.5	Very high	93.3	Very high	41 Å²	41	58.6 Å²	58.6	25%	0.252	28%	0.276	S	S	.	.	S	Bend	trans	-125.2	25.8	-177.5	65.7	0	0	0	0	111.1	F151 L156 Y158 G163	F151-T161 WeakPolarHBondContact O-CA 3.46Å; L156-T161 HydrophobicContact CB-CG2 3.79Å; Y158-T161 CarbonylContact O-C 3.46Å; Y158-T161 PolarHBondContact O-N 3.06Å; Y158-T161 PolarHBondContact O-OG1 2.82Å; T161-G163 PolarHBondContact O-N 2.97Å
162	D	89.8	Confident	93.4	Very high	65 Å²	65	58.8 Å²	58.8	35%	0.348	28%	0.277	S	S	.	.	S	Bend	trans	-78.9	3.1	-178.2	51.1	1.6	0	0	0	113.2	Y158 E164 R166	Y158-D162 HydrophobicContact CE1-CB 4.41Å; Y158-D162 PolarHBondContact O-N 2.62Å; Y158-D162 VanDerWaalsContact O-N 3.16Å; D162-E164 VanDerWaalsContact C-N 3.35Å; D162-R166 VanDerWaalsContact CG-NH2 3.29Å; D162-R166 IonicContact OD1-CZ 3.91Å; D162-R166 IonicContact OD1-NE 2.68Å; D162-R166 IonicContact OD1-NH2 3.83Å; D162-R166 PolarHBondContact OD1-NH2 3.12Å; D162-R166 IonicContact OD2-NH2 4Å; D162-R166 PolarHBondContact OD2-NH2 2.7Å
163	G	90.5	Very high	93.5	Very high	47 Å²	47	49.7 Å²	49.7	49%	0.485	25%	0.246	S	C	.	.	S	Bend	trans	91.6	-8.1	179.2	0	0	0	0	0	114.1	T161 P165	T161-G163 PolarHBondContact O-N 2.97Å; G163-P165 WeakPolarHBondContact O-CD 3.33Å
164	E	93.9	Very high	93.8	Very high	104 Å²	104	49.5 Å²	49.5	49%	0.486	25%	0.245	S	C	.	.			trans	-79.3	123.5	175.4	-70.5	-68.6	154.9	0	0	110.6	P123 D162	P123-E164 HydrophobicContact CG-CB 4.28Å; D162-E164 VanDerWaalsContact C-N 3.35Å
165	P	96.2	Very high	94.1	Very high	21 Å²	21	41.3 Å²	41.3	14%	0.136	21%	0.207	C	C	.	.			trans	-61.1	139.9	173	-20.2	30.4	0	0	0	111.7	L148 T150 G163 E336	L148-P165 HydrophobicContact CD1-CB 4.45Å; L148-P165 HydrophobicContact CD2-CB 3.54Å; L148-P165 HydrophobicContact CD2-CG 4.47Å; L148-P165 HydrophobicContact CG-CB 3.63Å; T150-P165 WeakPolarHBondContact OG1-CG 3.27Å; G163-P165 WeakPolarHBondContact O-CD 3.33Å; P165-E336 HydrophobicContact CB-CG 4.36Å
166	R	96.4	Very high	94	Very high	18 Å²	18	42 Å²	42	7%	0.068	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.6	-177.4	-69.2	165	-167.7	-100	-9.4	111.3	V120 P123 L148 R149 R159 D162 A168	V120-R166 HydrophobicContact CG1-CB 4.23Å; P123-R166 HydrophobicContact CB-CG 4.36Å; P123-R166 HydrophobicContact CG-CG 3.86Å; P123-R166 VanDerWaalsContact CG-CZ 3.46Å; L148-R166 VanDerWaalsContact CD1-C 3.45Å; R149-R166 PolarHBondContact N-O 3.21Å; R149-R166 PolarHBondContact O-N 2.9Å; R159-R166 PolarHBondContact O-NH1 3.13Å; R159-R166 VanDerWaalsContact O-NH1 3.15Å; R159-R166 PolarHBondContact O-NH2 2.63Å; D162-R166 VanDerWaalsContact CG-NH2 3.29Å; D162-R166 IonicContact OD1-CZ 3.91Å; D162-R166 IonicContact OD1-NE 2.68Å; D162-R166 IonicContact OD1-NH2 3.83Å; D162-R166 PolarHBondContact OD1-NH2 3.12Å; D162-R166 IonicContact OD2-NH2 4Å; D162-R166 PolarHBondContact OD2-NH2 2.7Å; R166-A168 PolarHBondContact O-N 2.91Å
167	P	97.5	Very high	93.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	125.8	169.9	-11.8	22.7	0	0	0	110.1	K121 R122 D125 E128 V129 V147 L148 V169	K121-P167 HydrophobicContact CB-CB 3.99Å; K121-P167 HydrophobicContact CB-CG 3.9Å; K121-P167 HydrophobicContact CG-CB 4.32Å; K121-P167 PolarHBondContact N-O 3.27Å; R122-P167 WeakPolarHBondContact O-CD 3.29Å; D125-P167 VanDerWaalsContact C-CG 3.41Å; D125-P167 HydrophobicContact CB-CG 4.08Å; D125-P167 WeakPolarHBondContact O-CG 3.49Å; E128-P167 HydrophobicContact CB-CB 4.33Å; V129-P167 HydrophobicContact CG2-CB 4.26Å; V147-P167 WeakPolarHBondContact O-CA 3.28Å; L148-P167 HydrophobicContact CD1-CG 4.48Å; P167-V169 HydrophobicContact CB-CG2 4.32Å
168	A	97.9	Very high	93.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	103.3	162.7	0	0	0	0	0	106.8	L74 A146 V147 R149 F151 R166	L74-A168 HydrophobicContact CB-CB 4.37Å; L74-A168 HydrophobicContact CD2-CB 4.32Å; A146-A168 WeakPolarHBondContact CA-O 3.1Å; V147-A168 HydrophobicContact CG2-CB 4.09Å; V147-A168 PolarHBondContact N-O 2.93Å; V147-A168 VanDerWaalsContact N-O 3.09Å; V147-A168 PolarHBondContact O-N 3.39Å; R149-A168 HydrophobicContact CB-CB 4.38Å; F151-A168 HydrophobicContact CE2-CB 4.3Å; F151-A168 HydrophobicContact CZ-CB 3.94Å; R166-A168 PolarHBondContact O-N 2.91Å
169	V	98.2	Very high	92.5	Very high	12 Å²	12	45.8 Å²	45.8	7%	0.073	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.4	178.4	-174.7	0	0	0	0	108.3	S118 L119 K121 E128 L144 A146 P167 W171	S118-V169 CarbonylContact C-O 3.55Å; S118-V169 WeakPolarHBondContact CA-O 3.35Å; S118-V169 PolarHBondContact OG-N 3.23Å; S118-V169 PolarHBondContact OG-O 2.59Å; L119-V169 PolarHBondContact N-O 2.59Å; L119-V169 PolarHBondContact O-N 2.87Å; K121-V169 HydrophobicContact CG-CG2 4.15Å; E128-V169 HydrophobicContact CB-CG2 4.4Å; L144-V169 HydrophobicContact CB-CG1 3.96Å; L144-V169 HydrophobicContact CD1-CG1 4.33Å; A146-V169 HydrophobicContact CB-CG2 4.05Å; P167-V169 HydrophobicContact CB-CG2 4.32Å; V169-W171 PolarHBondContact O-N 3.34Å
170	W	98.3	Very high	91.4	Very high	21 Å²	21	42.9 Å²	42.9	8%	0.08	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	130.3	175.4	-178	64.6	0	0	0	110.8	K70 L74 G115 L144 P145 D172	K70-W170 HydrophobicContact CD-CD2 3.69Å; K70-W170 HydrophobicContact CD-CE3 4.08Å; K70-W170 HydrophobicContact CD-CG 3.87Å; K70-W170 HydrophobicContact CD-CZ2 4.44Å; K70-W170 HydrophobicContact CG-CG 4.38Å; L74-W170 HydrophobicContact CD1-CB 4.15Å; G115-W170 PolarHBondContact O-NE1 3.21Å; L144-W170 WeakPolarHBondContact CD1-O 3.49Å; L144-W170 HydrophobicContact CD2-CE3 4.04Å; L144-W170 HydrophobicContact CD2-CZ3 4.22Å; P145-W170 HydrophobicContact CB-CB 4.3Å; P145-W170 WeakPolarHBondContact O-CB 2.84Å; P145-W170 PolarHBondContact O-N 3.05Å; W170-D172 HydrophobicContact CE3-CB 3.77Å; W170-D172 HydrophobicContact CH2-CB 3.85Å; W170-D172 VanDerWaalsContact CH2-CG 3.49Å; W170-D172 WeakPolarHBondContact CH2-OD1 3.34Å; W170-D172 HydrophobicContact CZ3-CB 3.41Å; W170-D172 VanDerWaalsContact CZ3-CB 3.41Å; W170-D172 VanDerWaalsContact CZ3-OD2 3.31Å; W170-D172 WeakPolarHBondContact CZ3-OD2 3.2Å
171	W	96.6	Very high	89.8	Confident	56 Å²	56	52.5 Å²	52.5	21%	0.212	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.9	174.5	-176	80.7	0	0	0	109.8	C112 C117 L119 V169 P173	C112-W171 HydrophobicContact CB-CE3 3.58Å; C112-W171 HydrophobicContact CB-CH2 4.12Å; C112-W171 HydrophobicContact CB-CZ3 3.36Å; C112-W171 WeakPolarHBondContact O-CZ3 3.11Å; C117-W171 HydrophobicContact CB-CB 3.88Å; C117-W171 HydrophobicContact CB-CE3 4.19Å; C117-W171 HydrophobicContact CB-CG 4.42Å; C117-W171 PolarHBondContact O-N 3.08Å; L119-W171 HydrophobicContact CD2-CG 4.42Å; L119-W171 HydrophobicContact CG-CB 4.26Å; L119-W171 HydrophobicContact CG-CG 4.42Å; V169-W171 PolarHBondContact O-N 3.34Å; W171-P173 HydrophobicContact CE3-CB 4.38Å; W171-P173 HydrophobicContact CH2-CB 4.13Å; W171-P173 HydrophobicContact CZ3-CB 3.62Å; W171-P173 HydrophobicContact CZ3-CG 4.45Å; W171-P173 WeakPolarHBondContact O-CD 3.28Å
172	D	96.1	Very high	88.4	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.032	29%	0.291	C	S	.	.			trans	-101.1	110.9	-170.1	-173.9	-10.3	0	0	0	111.8	L144 W170 D174 I175 R276	L144-D172 HydrophobicContact CD1-CB 4.23Å; L144-D172 HydrophobicContact CD2-CB 4.12Å; L144-D172 WeakPolarHBondContact CD2-OD2 3.45Å; W170-D172 HydrophobicContact CE3-CB 3.77Å; W170-D172 HydrophobicContact CH2-CB 3.85Å; W170-D172 VanDerWaalsContact CH2-CG 3.49Å; W170-D172 WeakPolarHBondContact CH2-OD1 3.34Å; W170-D172 HydrophobicContact CZ3-CB 3.41Å; W170-D172 VanDerWaalsContact CZ3-CB 3.41Å; W170-D172 VanDerWaalsContact CZ3-OD2 3.31Å; W170-D172 WeakPolarHBondContact CZ3-OD2 3.2Å; D172-D174 PolarHBondContact O-N 3.33Å; D172-D174 PolarHBondContact OD1-N 2.82Å; D172-I175 HydrophobicContact CB-CD1 3.76Å; D172-I175 HydrophobicContact CB-CG1 3.84Å; D172-I175 PolarHBondContact O-N 2.99Å; D172-R276 IonicContact OD1-CZ 3.83Å; D172-R276 IonicContact OD1-NH1 3.83Å; D172-R276 PolarHBondContact OD1-NH1 3.29Å; D172-R276 IonicContact OD2-CZ 3.77Å; D172-R276 IonicContact OD2-NH1 3.99Å; D172-R276 PolarHBondContact OD2-NH1 3.28Å; D172-R276 IonicContact OD2-NH2 3.32Å; D172-R276 PolarHBondContact OD2-NH2 3.02Å
173	P	93.9	Very high	87.1	Confident	22 Å²	22	55.1 Å²	55.1	14%	0.143	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.8	-178.1	25.9	-33	0	0	0	113.6	W171 K277	W171-P173 HydrophobicContact CE3-CB 4.38Å; W171-P173 HydrophobicContact CH2-CB 4.13Å; W171-P173 HydrophobicContact CZ3-CB 3.62Å; W171-P173 HydrophobicContact CZ3-CG 4.45Å; W171-P173 WeakPolarHBondContact O-CD 3.28Å; P173-K277 PolarHBondContact O-NZ 3.33Å
174	D	95.8	Very high	85.9	Confident	32 Å²	32	54.4 Å²	54.4	17%	0.171	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.5	-173	-164.3	56	0	0	0	113.1	D172 Q176 R276 K277 T278	D172-D174 PolarHBondContact O-N 3.33Å; D172-D174 PolarHBondContact OD1-N 2.82Å; D174-Q176 PolarHBondContact O-N 2.89Å; D174-R276 CarbonylContact O-C 2.87Å; D174-R276 WeakPolarHBondContact O-CA 3.14Å; D174-R276 WeakPolarHBondContact OD2-CB 3.16Å; D174-K277 WeakPolarHBondContact O-CG 3.47Å; D174-K277 PolarHBondContact O-N 3.06Å; D174-K277 WeakPolarHBondContact OD1-CB 3.42Å; D174-K277 PolarHBondContact OD2-N 3.3Å; D174-T278 PolarHBondContact OD2-N 3.1Å; D174-T278 VanDerWaalsContact OD2-N 3.12Å; D174-T278 PolarHBondContact OD2-OG1 2.84Å
175	I	94.4	Very high	85.1	Confident	10 Å²	10	50.8 Å²	50.8	5%	0.051	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-59.9	129.4	171.9	-67.7	178.4	0	0	0	109.4	L144 D172 H177 L274 K277 V284 I286	L144-I175 HydrophobicContact CD1-CD1 3.96Å; L144-I175 HydrophobicContact CD2-CD1 4.47Å; D172-I175 HydrophobicContact CB-CD1 3.76Å; D172-I175 HydrophobicContact CB-CG1 3.84Å; D172-I175 PolarHBondContact O-N 2.99Å; I175-H177 WeakPolarHBondContact CG2-NE2 3.46Å; I175-L274 HydrophobicContact CG2-CB 4.37Å; I175-L274 HydrophobicContact CG2-CD1 4Å; I175-L274 HydrophobicContact CG2-CD2 3.69Å; I175-L274 HydrophobicContact CG2-CG 4.26Å; I175-K277 WeakPolarHBondContact O-CE 3.47Å; I175-V284 HydrophobicContact CD1-CG1 3.89Å; I175-V284 HydrophobicContact CG1-CG1 4.32Å; I175-I286 HydrophobicContact CD1-CG2 4.13Å
176	Q	91.8	Very high	84.6	Confident	70 Å²	70	50.1 Å²	50.1	33%	0.327	25%	0.249	S	C	.	.			trans	-84.7	123.9	174.1	-177.9	175.9	-47.6	0	0	109.3	D174 S187 L274 V275 K277	D174-Q176 PolarHBondContact O-N 2.89Å; Q176-S187 WeakPolarHBondContact O-CB 3.42Å; Q176-S187 PolarHBondContact O-OG 2.84Å; Q176-L274 WeakPolarHBondContact O-CD2 3.45Å; Q176-V275 HydrophobicContact CB-CG2 4.49Å; Q176-V275 PolarHBondContact N-O 3.37Å; Q176-K277 HydrophobicContact CB-CG 3.94Å
177	H	87.2	Confident	84.2	Confident	87 Å²	87	49.4 Å²	49.4	40%	0.403	25%	0.247	S	C	.	.			trans	-111.2	140.6	169.5	-64.9	-75.5	0	0	0	109.3	I175	I175-H177 WeakPolarHBondContact CG2-NE2 3.46Å
178	L	83.3	Confident	83.6	Confident	62 Å²	62	50.7 Å²	50.7	33%	0.325	25%	0.254	S	S	.	.			trans	-66.6	149.5	165.6	-67.5	169.8	0	0	0	109.4	D180 N186 S187 P189	L178-D180 HydrophobicContact CB-CB 4.35Å; L178-D180 PolarHBondContact O-N 3.33Å; L178-N186 WeakPolarHBondContact CB-O 3.46Å; L178-N186 HydrophobicContact CD1-CB 3.94Å; L178-N186 VanDerWaalsContact CG-O 3.27Å; L178-N186 WeakPolarHBondContact CG-O 3.25Å; L178-N186 PolarHBondContact N-O 3.12Å; L178-S187 WeakPolarHBondContact CD2-O 3.31Å; L178-P189 HydrophobicContact CD1-CB 4.45Å; L178-P189 HydrophobicContact CD1-CG 4.39Å
179	D	72.1	Confident	83.2	Confident	176 Å²	176	54.8 Å²	54.8	94%	0.941	28%	0.281	S	S	*	.			trans	-79.8	69.7	165.6	-167.9	13	0	0	0	108.2
180	D	66.2	Low	82.9	Confident	47 Å²	47	54.4 Å²	54.4	25%	0.251	28%	0.278	S	S	.	.			trans	-99.4	142.8	178.3	72	14.1	0	0	0	111.8	L178 D182 S183 D184	L178-D180 HydrophobicContact CB-CB 4.35Å; L178-D180 PolarHBondContact O-N 3.33Å; D180-D182 VanDerWaalsContact C-N 3.25Å; D180-D182 PolarHBondContact O-N 3.15Å; D180-S183 WeakPolarHBondContact OD1-CA 3.16Å; D180-S183 PolarHBondContact OD1-N 2.98Å; D180-D184 PolarHBondContact OD1-N 3.05Å
181	K	58.2	Low	82.8	Confident	206 Å²	206	54 Å²	54	90%	0.896	28%	0.279	S	S	*	.	S	Bend	trans	-73	-24.2	179.5	-69.1	-176.3	179.5	178.6	0	112.3
182	D	61.6	Low	82.8	Confident	127 Å²	127	52.1 Å²	52.1	68%	0.679	27%	0.272	S	S	*	.	S	Bend	trans	-88.3	-8.2	-173.6	-61.2	-36.3	0	0	0	112.4	D180 D184	D180-D182 VanDerWaalsContact C-N 3.25Å; D180-D182 PolarHBondContact O-N 3.15Å; D182-D184 PolarHBondContact O-N 2.91Å
183	S	63	Low	82.8	Confident	34 Å²	34	54 Å²	54	24%	0.238	28%	0.283	C	S	.	.			trans	53.5	36.2	179.3	-56.9	0	0	0	0	112.7	A87 D180 Q185	A87-S183 VanDerWaalsContact CB-CB 3.45Å; A87-S183 WeakPolarHBondContact CB-OG 3.44Å; D180-S183 WeakPolarHBondContact OD1-CA 3.16Å; D180-S183 PolarHBondContact OD1-N 2.98Å; S183-Q185 WeakPolarHBondContact O-CG 3.29Å; S183-Q185 PolarHBondContact O-N 2.78Å
184	D	65.4	Low	83	Confident	31 Å²	31	57.5 Å²	57.5	17%	0.166	30%	0.298	C	S	.	.			trans	-74.8	8.1	-179.5	-84.2	-18.1	0	0	0	111.9	D180 D182 N186 R240 V271 H272	D180-D184 PolarHBondContact OD1-N 3.05Å; D182-D184 PolarHBondContact O-N 2.91Å; D184-N186 VanDerWaalsContact C-N 3.29Å; D184-N186 PolarHBondContact O-N 2.73Å; D184-R240 VanDerWaalsContact CG-NH1 3.32Å; D184-R240 IonicContact OD1-CZ 3.28Å; D184-R240 IonicContact OD1-NH1 2.7Å; D184-R240 PolarHBondContact OD1-NH1 2.87Å; D184-R240 IonicContact OD1-NH2 3.95Å; D184-R240 PolarHBondContact OD1-NH2 2.86Å; D184-R240 IonicContact OD2-CZ 2.94Å; D184-R240 IonicContact OD2-NH1 3.76Å; D184-R240 PolarHBondContact OD2-NH1 2.84Å; D184-V271 HydrophobicContact CB-CB 4.46Å; D184-V271 HydrophobicContact CB-CG1 3.85Å; D184-H272 PolarHBondContact O-CD2 3.03Å; D184-H272 PolarHBondContact O-N 3.13Å
185	Q	77.8	Confident	83	Confident	28 Å²	28	56 Å²	56	13%	0.131	29%	0.29	C	S	.	.			trans	45.7	47.5	177.2	-49.5	-168.3	-77.6	0	0	113	H88 S183 L274 I286 D287	H88-Q185 PolarHBondContact CE1-OE1 3.47Å; H88-Q185 WeakPolarHBondContact NE2-CG 3.5Å; S183-Q185 WeakPolarHBondContact O-CG 3.29Å; S183-Q185 PolarHBondContact O-N 2.78Å; Q185-L274 WeakPolarHBondContact O-CD2 3.13Å; Q185-L274 VanDerWaalsContact O-CG 3.23Å; Q185-L274 WeakPolarHBondContact O-CG 3.34Å; Q185-I286 HydrophobicContact CB-CD1 4.49Å; Q185-D287 PolarHBondContact OE1-OD2 2.9Å
186	N	85.7	Confident	83.2	Confident	8 Å²	8	57.2 Å²	57.2	4%	0.043	30%	0.295	C	S	.	.			trans	-97.7	151.1	175.8	-79.7	-40	0	0	0	111.6	L178 D184 L270 V271 H272 I273	L178-N186 WeakPolarHBondContact CB-O 3.46Å; L178-N186 HydrophobicContact CD1-CB 3.94Å; L178-N186 VanDerWaalsContact CG-O 3.27Å; L178-N186 WeakPolarHBondContact CG-O 3.25Å; L178-N186 PolarHBondContact N-O 3.12Å; D184-N186 VanDerWaalsContact C-N 3.29Å; D184-N186 PolarHBondContact O-N 2.73Å; N186-L270 PolarHBondContact ND2-O 3.1Å; N186-V271 VanDerWaalsContact OD1-CA 3.31Å; N186-V271 WeakPolarHBondContact OD1-CA 3.1Å; N186-H272 PolarHBondContact OD1-N 3.02Å; N186-I273 PolarHBondContact OD1-N 3.48Å
187	S	87.2	Confident	83.4	Confident	3 Å²	3	59 Å²	59	2%	0.021	30%	0.302	C	S	.	.	S	Bend	trans	-93.3	-25.5	161.6	-54.1	0	0	0	0	111.5	Q176 L178 I273 L274 V275	Q176-S187 WeakPolarHBondContact O-CB 3.42Å; Q176-S187 PolarHBondContact O-OG 2.84Å; L178-S187 WeakPolarHBondContact CD2-O 3.31Å; S187-I273 PolarHBondContact N-O 2.97Å; S187-L274 VanDerWaalsContact OG-CA 3.31Å; S187-L274 WeakPolarHBondContact OG-CA 3.46Å; S187-L274 WeakPolarHBondContact OG-CD2 3.4Å; S187-V275 PolarHBondContact OG-N 2.98Å
188	V	85.4	Confident	83.9	Confident	26 Å²	26	54.9 Å²	54.9	16%	0.158	28%	0.283	C	S	.	.	S	Bend	trans	-139.8	129.1	-178.9	-179	0	0	0	0	108.9	L190 V215	V188-L190 HydrophobicContact CG1-CG 4.15Å; V188-L190 PolarHBondContact O-N 3.48Å; V188-V215 HydrophobicContact CG1-CB 3.69Å; V188-V215 HydrophobicContact CG1-CG1 3.76Å; V188-V215 HydrophobicContact CG1-CG2 4.18Å; V188-V215 HydrophobicContact CG2-CB 4.47Å
189	P	89	Confident	84.6	Confident	86 Å²	86	52 Å²	52	56%	0.558	27%	0.268	S	S	*	.			trans	-76.3	124.5	174	32	-30.8	0	0	0	110	L178	L178-P189 HydrophobicContact CD1-CB 4.45Å; L178-P189 HydrophobicContact CD1-CG 4.39Å
190	L	93	Very high	85.8	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.021	26%	0.256	C	S	.	.			trans	-135.9	126.1	178.6	-79.3	178.3	0	0	0	111.6	V188 Q194 L198 V215 W222 L270 I273	V188-L190 HydrophobicContact CG1-CG 4.15Å; V188-L190 PolarHBondContact O-N 3.48Å; L190-Q194 HydrophobicContact CD2-CB 3.94Å; L190-L198 HydrophobicContact CD1-CD2 3.7Å; L190-L198 HydrophobicContact CD2-CD2 3.81Å; L190-L198 HydrophobicContact CG-CD2 4.45Å; L190-V215 HydrophobicContact CD1-CG2 4.31Å; L190-V215 HydrophobicContact CD2-CG1 3.93Å; L190-W222 HydrophobicContact CD1-CH2 3.65Å; L190-W222 HydrophobicContact CD1-CZ2 4.2Å; L190-L270 HydrophobicContact CB-CB 4.38Å; L190-L270 HydrophobicContact CB-CD2 4.37Å; L190-L270 WeakPolarHBondContact O-CB 3.44Å; L190-L270 PolarHBondContact O-N 3.39Å; L190-I273 HydrophobicContact CD1-CG2 4.25Å
191	S	95.1	Very high	87.2	Confident	13 Å²	13	50.8 Å²	50.8	9%	0.091	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-83.7	160	163.8	64.4	0	0	0	0	111.6	V193 Q194 Y195 L268	S191-V193 PolarHBondContact O-N 3.12Å; S191-Q194 PolarHBondContact O-N 3.29Å; S191-Q194 VanDerWaalsContact O-N 3.08Å; S191-Q194 WeakPolarHBondContact OG-CG 3.27Å; S191-Q194 PolarHBondContact OG-N 2.9Å; S191-Q194 PolarHBondContact OG-OE1 3.33Å; S191-Y195 WeakPolarHBondContact O-CB 3.29Å; S191-Y195 PolarHBondContact O-N 3.09Å; S191-L268 CarbonylContact C-O 3.58Å; S191-L268 VanDerWaalsContact CA-O 3.29Å; S191-L268 WeakPolarHBondContact CA-O 3.41Å; S191-L268 WeakPolarHBondContact CB-O 3.42Å
192	W	96.3	Very high	89	Confident	16 Å²	16	42.7 Å²	42.7	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-53.9	-40.6	173.7	-179.5	-99.9	0	0	0	112.3	Y195 Q196 L238 L268 L270 R302 E305	W192-Y195 HydrophobicContact CE3-CD1 4.01Å; W192-Y195 HydrophobicContact CH2-CD1 4.38Å; W192-Y195 HydrophobicContact CH2-CE1 4.26Å; W192-Y195 AromaticContact CZ3-CD1 3.88Å; W192-Y195 HydrophobicContact CZ3-CD1 3.88Å; W192-Y195 AromaticContact CZ3-CE1 3.96Å; W192-Y195 HydrophobicContact CZ3-CE1 3.96Å; W192-Y195 PolarHBondContact O-N 2.82Å; W192-Q196 HydrophobicContact CD2-CG 4.38Å; W192-Q196 HydrophobicContact CZ2-CG 4.06Å; W192-Q196 VanDerWaalsContact CZ2-NE2 3.3Å; W192-Q196 VanDerWaalsContact O-CG 3.31Å; W192-Q196 WeakPolarHBondContact O-CG 3.41Å; W192-Q196 PolarHBondContact O-N 2.98Å; W192-L238 WeakPolarHBondContact CZ3-O 3.46Å; W192-L268 HydrophobicContact CB-CB 3.74Å; W192-L268 HydrophobicContact CB-CD1 4.44Å; W192-L268 HydrophobicContact CG-CD1 4.49Å; W192-L268 PolarHBondContact N-O 3.47Å; W192-L270 HydrophobicContact CB-CD1 4.31Å; W192-L270 HydrophobicContact CE3-CD1 4.3Å; W192-R302 VanDerWaalsContact CD1-NH2 3.29Å; W192-R302 VanDerWaalsContact CE2-CZ 3.48Å; W192-R302 VanDerWaalsContact CG-NH2 3.32Å; W192-R302 HydrophobicContact CH2-CG 3.76Å; W192-R302 WeakPolarHBondContact CH2-O 3.36Å; W192-R302 HydrophobicContact CZ2-CG 4.04Å; W192-R302 HydrophobicContact CZ3-CG 4.38Å; W192-R302 VanDerWaalsContact NE1-NH2 3.12Å; W192-E305 HydrophobicContact CH2-CB 4.12Å; W192-E305 HydrophobicContact CZ2-CB 3.96Å; W192-E305 WeakPolarHBondContact CZ2-OE2 3.3Å
193	V	96.6	Very high	90.6	Very high	46 Å²	46	36.7 Å²	36.7	28%	0.279	18%	0.183	S	C	.	.	H	α-helix	trans	-67.2	-39.5	179.2	175.8	0	0	0	0	111.7	S191 K197 K266	S191-V193 PolarHBondContact O-N 3.12Å; V193-K197 WeakPolarHBondContact O-CG 3.32Å; V193-K197 PolarHBondContact O-N 2.98Å; V193-K266 HydrophobicContact CG2-CG 4.46Å
194	Q	97	Very high	92.1	Very high	95 Å²	95	36.9 Å²	36.9	44%	0.444	19%	0.19	S	C	.	.	H	α-helix	trans	-67.6	-42.9	175.5	-74.6	161.3	-48.9	0	0	111.2	L190 S191 Q196 K197 L198	L190-Q194 HydrophobicContact CD2-CB 3.94Å; S191-Q194 PolarHBondContact O-N 3.29Å; S191-Q194 VanDerWaalsContact O-N 3.08Å; S191-Q194 WeakPolarHBondContact OG-CG 3.27Å; S191-Q194 PolarHBondContact OG-N 2.9Å; S191-Q194 PolarHBondContact OG-OE1 3.33Å; Q194-Q196 PolarHBondContact O-N 3.4Å; Q194-K197 WeakPolarHBondContact O-CA 3.18Å; Q194-K197 WeakPolarHBondContact O-CB 3.47Å; Q194-K197 PolarHBondContact O-N 3.09Å; Q194-L198 PolarHBondContact O-N 2.92Å
195	Y	97.4	Very high	93.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.2	-46.7	173.6	173.9	-120.3	0	0	0	112.2	S191 W192 K197 L198 L199 W222 L238 L270 I307	S191-Y195 WeakPolarHBondContact O-CB 3.29Å; S191-Y195 PolarHBondContact O-N 3.09Å; W192-Y195 HydrophobicContact CE3-CD1 4.01Å; W192-Y195 HydrophobicContact CH2-CD1 4.38Å; W192-Y195 HydrophobicContact CH2-CE1 4.26Å; W192-Y195 AromaticContact CZ3-CD1 3.88Å; W192-Y195 HydrophobicContact CZ3-CD1 3.88Å; W192-Y195 AromaticContact CZ3-CE1 3.96Å; W192-Y195 HydrophobicContact CZ3-CE1 3.96Å; W192-Y195 PolarHBondContact O-N 2.82Å; Y195-K197 PolarHBondContact O-N 3.18Å; Y195-L198 HydrophobicContact CD2-CD1 4.28Å; Y195-L198 HydrophobicContact CD2-CD2 4.27Å; Y195-L198 HydrophobicContact CD2-CG 4.31Å; Y195-L198 WeakPolarHBondContact O-CG 3.33Å; Y195-L198 PolarHBondContact O-N 3.07Å; Y195-L199 HydrophobicContact CD1-CD1 4.33Å; Y195-L199 HydrophobicContact CD2-CD1 4.4Å; Y195-L199 HydrophobicContact CD2-CG 4.18Å; Y195-L199 HydrophobicContact CE1-CD1 3.78Å; Y195-L199 HydrophobicContact CE2-CD1 3.85Å; Y195-L199 HydrophobicContact CE2-CD2 3.79Å; Y195-L199 HydrophobicContact CE2-CG 3.77Å; Y195-L199 WeakPolarHBondContact O-CG 3.4Å; Y195-L199 PolarHBondContact O-N 3.21Å; Y195-W222 HydrophobicContact CD2-CD2 4.42Å; Y195-W222 HydrophobicContact CD2-CE3 4.06Å; Y195-W222 HydrophobicContact CD2-CZ3 4.16Å; Y195-W222 HydrophobicContact CE2-CB 4.41Å; Y195-W222 AromaticContact CE2-CD2 3.83Å; Y195-W222 HydrophobicContact CE2-CD2 3.83Å; Y195-W222 AromaticContact CE2-CE3 3.45Å; Y195-W222 HydrophobicContact CE2-CE3 3.45Å; Y195-W222 VanDerWaalsContact CE2-CE3 3.45Å; Y195-W222 HydrophobicContact CE2-CG 4.23Å; Y195-W222 AromaticContact CE2-CZ3 3.98Å; Y195-W222 HydrophobicContact CE2-CZ3 3.98Å; Y195-L238 HydrophobicContact CE1-CD2 4.33Å; Y195-L270 HydrophobicContact CD1-CD2 4.19Å; Y195-L270 HydrophobicContact CD2-CD2 4.11Å; Y195-L270 HydrophobicContact CG-CD2 3.78Å; Y195-I307 WeakPolarHBondContact OH-CD1 3.28Å
196	Q	97.8	Very high	93.7	Very high	37 Å²	37	44.3 Å²	44.3	17%	0.173	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-19.8	176.4	-67.5	-62.9	-46	0	0	113.7	W192 Q194 R200 E305	W192-Q196 HydrophobicContact CD2-CG 4.38Å; W192-Q196 HydrophobicContact CZ2-CG 4.06Å; W192-Q196 VanDerWaalsContact CZ2-NE2 3.3Å; W192-Q196 VanDerWaalsContact O-CG 3.31Å; W192-Q196 WeakPolarHBondContact O-CG 3.41Å; W192-Q196 PolarHBondContact O-N 2.98Å; Q194-Q196 PolarHBondContact O-N 3.4Å; Q196-R200 PolarHBondContact O-NE 2.95Å; Q196-E305 PolarHBondContact NE2-O 3.14Å
197	K	97.2	Very high	94.1	Very high	106 Å²	106	45.9 Å²	45.9	46%	0.461	24%	0.235	S	C	.	.	H	α-helix	trans	-80.6	-42.9	171.7	-73.4	174.4	179.3	-176.8	0	111.6	V193 Q194 Y195 R200 A201 P213	V193-K197 WeakPolarHBondContact O-CG 3.32Å; V193-K197 PolarHBondContact O-N 2.98Å; Q194-K197 WeakPolarHBondContact O-CA 3.18Å; Q194-K197 WeakPolarHBondContact O-CB 3.47Å; Q194-K197 PolarHBondContact O-N 3.09Å; Y195-K197 PolarHBondContact O-N 3.18Å; K197-R200 PolarHBondContact O-N 2.73Å; K197-A201 PolarHBondContact O-N 2.74Å; K197-P213 HydrophobicContact CB-CB 4.16Å; K197-P213 HydrophobicContact CB-CG 4.22Å
198	L	97.1	Very high	94.5	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-66.3	-37.2	-179.8	77.4	83.4	0	0	0	112.1	L190 Q194 Y195 R200 A201 Q202 V215 W222	L190-L198 HydrophobicContact CD1-CD2 3.7Å; L190-L198 HydrophobicContact CD2-CD2 3.81Å; L190-L198 HydrophobicContact CG-CD2 4.45Å; Q194-L198 PolarHBondContact O-N 2.92Å; Y195-L198 HydrophobicContact CD2-CD1 4.28Å; Y195-L198 HydrophobicContact CD2-CD2 4.27Å; Y195-L198 HydrophobicContact CD2-CG 4.31Å; Y195-L198 WeakPolarHBondContact O-CG 3.33Å; Y195-L198 PolarHBondContact O-N 3.07Å; L198-R200 VanDerWaalsContact C-N 3.31Å; L198-R200 PolarHBondContact O-N 3.36Å; L198-A201 WeakPolarHBondContact O-CB 2.79Å; L198-A201 PolarHBondContact O-N 2.89Å; L198-A201 VanDerWaalsContact O-N 3.08Å; L198-Q202 PolarHBondContact O-N 3.15Å; L198-V215 HydrophobicContact CD2-CG2 4.35Å; L198-W222 HydrophobicContact CD1-CD2 4.1Å; L198-W222 VanDerWaalsContact CD1-CE2 3.46Å; L198-W222 HydrophobicContact CD1-CG 4.23Å; L198-W222 HydrophobicContact CD1-CZ2 3.88Å; L198-W222 HydrophobicContact CD2-CZ2 4.09Å
199	L	97.5	Very high	94.9	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-43.8	175.3	-71.2	178.6	0	0	0	111.5	Y195 A201 Q202 H219 W222 I307	Y195-L199 HydrophobicContact CD1-CD1 4.33Å; Y195-L199 HydrophobicContact CD2-CD1 4.4Å; Y195-L199 HydrophobicContact CD2-CG 4.18Å; Y195-L199 HydrophobicContact CE1-CD1 3.78Å; Y195-L199 HydrophobicContact CE2-CD1 3.85Å; Y195-L199 HydrophobicContact CE2-CD2 3.79Å; Y195-L199 HydrophobicContact CE2-CG 3.77Å; Y195-L199 WeakPolarHBondContact O-CG 3.4Å; Y195-L199 PolarHBondContact O-N 3.21Å; L199-A201 VanDerWaalsContact C-N 3.25Å; L199-A201 PolarHBondContact O-N 2.87Å; L199-Q202 PolarHBondContact O-N 2.81Å; L199-H219 PolarHBondContact O-CE1 3.16Å; L199-W222 HydrophobicContact CD2-CB 3.57Å; L199-W222 HydrophobicContact CD2-CG 3.85Å; L199-I307 HydrophobicContact CD1-CD1 4.16Å; L199-I307 HydrophobicContact CD2-CD1 3.95Å
200	R	97.3	Very high	95.1	Very high	184 Å²	184	50.5 Å²	50.5	69%	0.694	27%	0.274	S	S	*	.	H	α-helix	trans	-67.6	-24.8	177.2	-73.1	-177	-73.3	174.2	-3	113.5	Q196 K197 L198 Q202	Q196-R200 PolarHBondContact O-NE 2.95Å; K197-R200 PolarHBondContact O-N 2.73Å; L198-R200 VanDerWaalsContact C-N 3.31Å; L198-R200 PolarHBondContact O-N 3.36Å; R200-Q202 VanDerWaalsContact C-N 3.3Å
201	A	96.7	Very high	95.2	Very high	14 Å²	14	53.3 Å²	53.3	12%	0.116	29%	0.293	C	S	.	.	H	α-helix	trans	-79.3	-13.8	179.7	0	0	0	0	0	113.1	K197 L198 L199 C203 T207 P213	K197-A201 PolarHBondContact O-N 2.74Å; L198-A201 WeakPolarHBondContact O-CB 2.79Å; L198-A201 PolarHBondContact O-N 2.89Å; L198-A201 VanDerWaalsContact O-N 3.08Å; L199-A201 VanDerWaalsContact C-N 3.25Å; L199-A201 PolarHBondContact O-N 2.87Å; A201-C203 PolarHBondContact O-N 3.38Å; A201-T207 VanDerWaalsContact O-CB 3.24Å; A201-T207 WeakPolarHBondContact O-CB 3.05Å; A201-T207 PolarHBondContact O-OG1 2.99Å; A201-P213 HydrophobicContact CB-CG 3.66Å
202	Q	95.4	Very high	95.1	Very high	37 Å²	37	61.7 Å²	61.7	17%	0.173	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	57.9	-179.5	-61.5	-170.2	-28.4	0	0	112.3	L198 L199 R200 G204 N205 Q206 D308	L198-Q202 PolarHBondContact O-N 3.15Å; L199-Q202 PolarHBondContact O-N 2.81Å; R200-Q202 VanDerWaalsContact C-N 3.3Å; Q202-G204 PolarHBondContact O-N 3.34Å; Q202-N205 HydrophobicContact CB-CB 4.26Å; Q202-N205 WeakPolarHBondContact O-CB 3.43Å; Q202-N205 PolarHBondContact O-N 3.26Å; Q202-Q206 HydrophobicContact CB-CG 4.41Å; Q202-Q206 PolarHBondContact O-N 2.77Å; Q202-Q206 VanDerWaalsContact O-N 3.12Å; Q202-D308 PolarHBondContact NE2-OD2 3.03Å
203	C	95.8	Very high	95	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.007	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-56.5	128.6	-175.1	-61.2	0	0	0	0	113.1	A201 N205 L209 C214 H219	A201-C203 PolarHBondContact O-N 3.38Å; C203-N205 VanDerWaalsContact C-N 3.27Å; C203-N205 PolarHBondContact O-N 2.94Å; C203-L209 HydrophobicContact CB-CD2 4.18Å; C203-C214 VanDerWaalsContact CA-SG 3.51Å; C203-C214 HydrophobicContact CB-CB 3.67Å; C203-C214 WeakPolarHBondContact CB-SG 3.47Å; C203-C214 WeakPolarHBondContact SG-CA 3.28Å; C203-C214 WeakPolarHBondContact SG-CB 3.32Å; C203-C214 CovalentContact SG-SG 2.02Å; C203-C214 PolarHBondContact SG-SG 2.85Å; C203-H219 VanDerWaalsContact O-CB 3.29Å; C203-H219 WeakPolarHBondContact O-CB 3.27Å; C203-H219 PolarHBondContact O-N 2.79Å
204	G	93.4	Very high	95	Very high	37 Å²	37	61.9 Å²	61.9	38%	0.381	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-7.8	-173.9	0	0	0	0	0	114.7	Q202 T207	Q202-G204 PolarHBondContact O-N 3.34Å; G204-T207 PolarHBondContact N-O 2.7Å
205	N	89.5	Confident	94.9	Very high	63 Å²	63	59.4 Å²	59.4	34%	0.337	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-71.7	171.9	-62.6	-9.4	0	0	0	110.6	Q202 C203 R373	Q202-N205 HydrophobicContact CB-CB 4.26Å; Q202-N205 WeakPolarHBondContact O-CB 3.43Å; Q202-N205 PolarHBondContact O-N 3.26Å; C203-N205 VanDerWaalsContact C-N 3.27Å; C203-N205 PolarHBondContact O-N 2.94Å; N205-R373 VanDerWaalsContact CG-NH2 3.33Å; N205-R373 PolarHBondContact ND2-NH1 2.72Å; N205-R373 VanDerWaalsContact ND2-NH1 3.2Å; N205-R373 PolarHBondContact ND2-NH2 3.25Å; N205-R373 VanDerWaalsContact OD1-CZ 3.3Å; N205-R373 PolarHBondContact OD1-NH1 3.03Å; N205-R373 PolarHBondContact OD1-NH2 2.7Å
206	Q	87.6	Confident	94.8	Very high	153 Å²	153	60.4 Å²	60.4	72%	0.715	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-35	-177.5	-61.1	-173.7	2.7	0	0	111.8	Q202	Q202-Q206 HydrophobicContact CB-CG 4.41Å; Q202-Q206 PolarHBondContact O-N 2.77Å; Q202-Q206 VanDerWaalsContact O-N 3.12Å
207	T	93.9	Very high	94.8	Very high	40 Å²	40	58.8 Å²	58.8	25%	0.245	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-110.1	137.1	-178.6	-54.1	0	0	0	0	109.7	A201 G204	A201-T207 VanDerWaalsContact O-CB 3.24Å; A201-T207 WeakPolarHBondContact O-CB 3.05Å; A201-T207 PolarHBondContact O-OG1 2.99Å; G204-T207 PolarHBondContact N-O 2.7Å
208	G	95.7	Very high	94.8	Very high	41 Å²	41	56.1 Å²	56.1	42%	0.423	32%	0.321	S	S	.	.			trans	-60	143.5	175.5	0	0	0	0	0	112.1	S210 S211	G208-S210 PolarHBondContact O-N 2.87Å; G208-S210 VanDerWaalsContact O-N 3.16Å; G208-S211 WeakPolarHBondContact O-CB 3.32Å; G208-S211 PolarHBondContact O-N 3.11Å
209	L	94.7	Very high	94.8	Very high	49 Å²	49	56.2 Å²	56.2	26%	0.257	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.1	-175.6	-72.6	174.1	0	0	0	114	C203 C214 G216 V217 L218	C203-L209 HydrophobicContact CB-CD2 4.18Å; L209-C214 VanDerWaalsContact O-CB 3.24Å; L209-C214 WeakPolarHBondContact O-CB 3.49Å; L209-G216 WeakPolarHBondContact O-CA 3.19Å; L209-G216 PolarHBondContact O-N 3.07Å; L209-V217 WeakPolarHBondContact CD2-O 3.14Å; L209-L218 HydrophobicContact CD1-CD2 4.05Å; L209-L218 HydrophobicContact CD2-CD2 4.19Å
210	S	92.8	Very high	94.7	Very high	123 Å²	123	56.7 Å²	56.7	86%	0.86	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	0.3	179.1	-50.5	0	0	0	0	114	G208	G208-S210 PolarHBondContact O-N 2.87Å; G208-S210 VanDerWaalsContact O-N 3.16Å
211	S	94.3	Very high	94.7	Very high	62 Å²	62	48 Å²	48	43%	0.434	29%	0.292	S	S	.	.	S	Bend	trans	-91	139	-179.2	-58.9	0	0	0	0	110.6	G208 C214	G208-S211 WeakPolarHBondContact O-CB 3.32Å; G208-S211 PolarHBondContact O-N 3.11Å; S211-C214 WeakPolarHBondContact O-CA 3.1Å; S211-C214 WeakPolarHBondContact O-CB 3.47Å; S211-C214 PolarHBondContact O-N 2.86Å
212	E	92.5	Very high	94.8	Very high	189 Å²	189	47.3 Å²	47.3	88%	0.883	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	137.5	172.3	-66.6	-169	169.3	0	0	111.1
213	P	95.3	Very high	94.9	Very high	53 Å²	53	45.7 Å²	45.7	34%	0.344	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	cis	-92.3	14.5	7.3	38.3	-37.9	0	0	0	115.2	K197 A201	K197-P213 HydrophobicContact CB-CB 4.16Å; K197-P213 HydrophobicContact CB-CG 4.22Å; A201-P213 HydrophobicContact CB-CG 3.66Å
214	C	96.6	Very high	95	Very high	14 Å²	14	46.6 Å²	46.6	10%	0.095	28%	0.283	C	S	.	.			trans	-70	154.9	-178.3	-56	0	0	0	0	112.8	C203 L209 S211	C203-C214 VanDerWaalsContact CA-SG 3.51Å; C203-C214 HydrophobicContact CB-CB 3.67Å; C203-C214 WeakPolarHBondContact CB-SG 3.47Å; C203-C214 WeakPolarHBondContact SG-CA 3.28Å; C203-C214 WeakPolarHBondContact SG-CB 3.32Å; C203-C214 CovalentContact SG-SG 2.02Å; C203-C214 PolarHBondContact SG-SG 2.85Å; L209-C214 VanDerWaalsContact O-CB 3.24Å; L209-C214 WeakPolarHBondContact O-CB 3.49Å; S211-C214 WeakPolarHBondContact O-CA 3.1Å; S211-C214 WeakPolarHBondContact O-CB 3.47Å; S211-C214 PolarHBondContact O-N 2.86Å
215	V	95.1	Very high	95.3	Very high	42 Å²	42	45 Å²	45	26%	0.255	27%	0.265	S	S	.	.			trans	-126.9	28	-174.6	-62.3	0	0	0	0	112.9	V188 L190 L198 V217 W222	V188-V215 HydrophobicContact CG1-CB 3.69Å; V188-V215 HydrophobicContact CG1-CG1 3.76Å; V188-V215 HydrophobicContact CG1-CG2 4.18Å; V188-V215 HydrophobicContact CG2-CB 4.47Å; L190-V215 HydrophobicContact CD1-CG2 4.31Å; L190-V215 HydrophobicContact CD2-CG1 3.93Å; L198-V215 HydrophobicContact CD2-CG2 4.35Å; V215-V217 HydrophobicContact CG2-CB 4.41Å; V215-V217 HydrophobicContact CG2-CG2 4.28Å; V215-V217 PolarHBondContact O-N 3.43Å; V215-W222 HydrophobicContact CG2-CZ2 4.27Å
216	G	95.1	Very high	95.7	Very high	22 Å²	22	42 Å²	42	23%	0.227	25%	0.249	C	C	.	.	S	Bend	trans	83.8	-14.2	-178.3	0	0	0	0	0	115.3	L209 S281	L209-G216 WeakPolarHBondContact O-CA 3.19Å; L209-G216 PolarHBondContact O-N 3.07Å; G216-S281 WeakPolarHBondContact O-CA 3.31Å
217	V	96.8	Very high	96.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	22%	0.215	C	C	.	.			trans	-89.5	135.2	-177.5	178.6	0	0	0	0	112.1	L209 V215 E221 W222 V275 L283	L209-V217 WeakPolarHBondContact CD2-O 3.14Å; V215-V217 HydrophobicContact CG2-CB 4.41Å; V215-V217 HydrophobicContact CG2-CG2 4.28Å; V215-V217 PolarHBondContact O-N 3.43Å; V217-E221 HydrophobicContact CG1-CB 3.76Å; V217-E221 HydrophobicContact CG1-CG 4.12Å; V217-W222 HydrophobicContact CB-CZ2 4.04Å; V217-W222 HydrophobicContact CG1-CZ2 3.97Å; V217-W222 HydrophobicContact CG2-CZ2 4.45Å; V217-V275 HydrophobicContact CG2-CG1 3.77Å; V217-L283 HydrophobicContact CG1-CD1 4.3Å; V217-L283 HydrophobicContact CG1-CD2 3.92Å; V217-L283 HydrophobicContact CG1-CG 3.78Å; V217-L283 HydrophobicContact CG2-CD2 4.01Å
218	L	96.9	Very high	96.4	Very high	51 Å²	51	32.8 Å²	32.8	27%	0.267	20%	0.203	S	C	.	.			trans	-64	138.2	176.1	-70.9	165.8	0	0	0	111.6	L209 A220 E221 S281	L209-L218 HydrophobicContact CD1-CD2 4.05Å; L209-L218 HydrophobicContact CD2-CD2 4.19Å; L218-A220 PolarHBondContact O-N 3.07Å; L218-A220 VanDerWaalsContact O-N 3.14Å; L218-E221 HydrophobicContact CB-CG 4.05Å; L218-E221 VanDerWaalsContact O-CB 3.31Å; L218-E221 WeakPolarHBondContact O-CB 3.4Å; L218-E221 PolarHBondContact O-N 2.76Å; L218-S281 PolarHBondContact N-O 3.46Å
219	H	96.9	Very high	96.6	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-51.3	-41.3	180	-172.4	58	0	0	0	113.5	L199 C203 E221 W222 D308 E309	L199-H219 PolarHBondContact O-CE1 3.16Å; C203-H219 VanDerWaalsContact O-CB 3.29Å; C203-H219 WeakPolarHBondContact O-CB 3.27Å; C203-H219 PolarHBondContact O-N 2.79Å; H219-E221 PolarHBondContact O-N 3.35Å; H219-E221 VanDerWaalsContact O-N 3.12Å; H219-W222 PolarHBondContact O-N 3.28Å; H219-W222 VanDerWaalsContact O-N 3.13Å; H219-D308 IonicContact CD2-OD1 2.86Å; H219-D308 IonicContact CE1-OD1 3.63Å; H219-D308 PolarHBondContact CE1-OD1 2.83Å; H219-D308 IonicContact NE2-OD1 3.63Å; H219-D308 PolarHBondContact NE2-OD1 2.95Å; H219-D308 IonicContact NE2-OD2 3.79Å; H219-E309 IonicContact CD2-OE1 2.79Å; H219-E309 PolarHBondContact CD2-OE1 2.96Å; H219-E309 VanDerWaalsContact CD2-OE1 3.32Å; H219-E309 IonicContact CD2-OE2 3.5Å; H219-E309 IonicContact CG-OE1 3.34Å
220	A	96.4	Very high	96.7	Very high	10 Å²	10	28.5 Å²	28.5	8%	0.083	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-24.9	-178.9	0	0	0	0	0	114.1	L218 W222 G223 R224 E309	L218-A220 PolarHBondContact O-N 3.07Å; L218-A220 VanDerWaalsContact O-N 3.14Å; A220-W222 VanDerWaalsContact C-N 3.29Å; A220-W222 PolarHBondContact O-N 3.34Å; A220-G223 PolarHBondContact O-N 3.07Å; A220-R224 VanDerWaalsContact CB-NH1 3.32Å; A220-R224 PolarHBondContact O-N 3.13Å; A220-R224 PolarHBondContact O-NH1 3.43Å; A220-E309 WeakPolarHBondContact CA-OE1 3.43Å; A220-E309 WeakPolarHBondContact CB-OE1 3.23Å; A220-E309 PolarHBondContact N-OE1 2.79Å; A220-E309 VanDerWaalsContact N-OE1 3.15Å
221	E	97.9	Very high	97	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-68.3	-31	-179.6	-62.3	-69.8	109	0	0	112	R142 V217 L218 H219 R224 L225 R282 L283	R142-E221 WeakPolarHBondContact CD-OE2 3.34Å; R142-E221 IonicContact CZ-OE1 2.7Å; R142-E221 IonicContact CZ-OE2 2.7Å; R142-E221 IonicContact NE-OE1 3.36Å; R142-E221 PolarHBondContact NE-OE1 2.83Å; R142-E221 IonicContact NE-OE2 3.84Å; R142-E221 PolarHBondContact NE-OE2 3.02Å; R142-E221 IonicContact NH2-OE1 2.77Å; R142-E221 PolarHBondContact NH2-OE1 3.03Å; R142-E221 IonicContact NH2-OE2 3.43Å; V217-E221 HydrophobicContact CG1-CB 3.76Å; V217-E221 HydrophobicContact CG1-CG 4.12Å; L218-E221 HydrophobicContact CB-CG 4.05Å; L218-E221 VanDerWaalsContact O-CB 3.31Å; L218-E221 WeakPolarHBondContact O-CB 3.4Å; L218-E221 PolarHBondContact O-N 2.76Å; H219-E221 PolarHBondContact O-N 3.35Å; H219-E221 VanDerWaalsContact O-N 3.12Å; E221-R224 PolarHBondContact O-N 3.19Å; E221-R224 IonicContact OE1-CZ 3.07Å; E221-R224 IonicContact OE1-NE 3.89Å; E221-R224 IonicContact OE1-NH1 2.76Å; E221-R224 PolarHBondContact OE1-NH1 2.98Å; E221-L225 VanDerWaalsContact O-CB 3.32Å; E221-L225 WeakPolarHBondContact O-CB 3.37Å; E221-L225 PolarHBondContact O-N 3.12Å; E221-R282 WeakPolarHBondContact OE2-CA 3.4Å; E221-L283 HydrophobicContact CB-CB 4.37Å; E221-L283 HydrophobicContact CB-CD1 3.78Å; E221-L283 HydrophobicContact CB-CG 3.84Å; E221-L283 PolarHBondContact OE2-N 2.92Å
222	W	97.8	Very high	97.2	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-70.8	-35.5	177.9	-56.2	108.1	0	0	0	112.2	L190 Y195 L198 L199 V215 V217 H219 A220 L225 A226 I273 L283 I307	L190-W222 HydrophobicContact CD1-CH2 3.65Å; L190-W222 HydrophobicContact CD1-CZ2 4.2Å; Y195-W222 HydrophobicContact CD2-CD2 4.42Å; Y195-W222 HydrophobicContact CD2-CE3 4.06Å; Y195-W222 HydrophobicContact CD2-CZ3 4.16Å; Y195-W222 HydrophobicContact CE2-CB 4.41Å; Y195-W222 AromaticContact CE2-CD2 3.83Å; Y195-W222 HydrophobicContact CE2-CD2 3.83Å; Y195-W222 AromaticContact CE2-CE3 3.45Å; Y195-W222 HydrophobicContact CE2-CE3 3.45Å; Y195-W222 VanDerWaalsContact CE2-CE3 3.45Å; Y195-W222 HydrophobicContact CE2-CG 4.23Å; Y195-W222 AromaticContact CE2-CZ3 3.98Å; Y195-W222 HydrophobicContact CE2-CZ3 3.98Å; L198-W222 HydrophobicContact CD1-CD2 4.1Å; L198-W222 VanDerWaalsContact CD1-CE2 3.46Å; L198-W222 HydrophobicContact CD1-CG 4.23Å; L198-W222 HydrophobicContact CD1-CZ2 3.88Å; L198-W222 HydrophobicContact CD2-CZ2 4.09Å; L199-W222 HydrophobicContact CD2-CB 3.57Å; L199-W222 HydrophobicContact CD2-CG 3.85Å; V215-W222 HydrophobicContact CG2-CZ2 4.27Å; V217-W222 HydrophobicContact CB-CZ2 4.04Å; V217-W222 HydrophobicContact CG1-CZ2 3.97Å; V217-W222 HydrophobicContact CG2-CZ2 4.45Å; H219-W222 PolarHBondContact O-N 3.28Å; H219-W222 VanDerWaalsContact O-N 3.13Å; A220-W222 VanDerWaalsContact C-N 3.29Å; A220-W222 PolarHBondContact O-N 3.34Å; W222-L225 HydrophobicContact CE3-CD2 4Å; W222-L225 HydrophobicContact CZ3-CD2 4.14Å; W222-L225 PolarHBondContact O-N 3.08Å; W222-A226 VanDerWaalsContact O-CB 3.31Å; W222-A226 WeakPolarHBondContact O-CB 3.28Å; W222-A226 PolarHBondContact O-N 3.08Å; W222-I273 HydrophobicContact CH2-CG2 3.81Å; W222-I273 HydrophobicContact CZ3-CD1 4.22Å; W222-I273 HydrophobicContact CZ3-CG2 4.33Å; W222-L283 HydrophobicContact CD2-CD1 4.28Å; W222-L283 HydrophobicContact CE3-CD1 3.94Å; W222-L283 HydrophobicContact CH2-CD1 4.47Å; W222-L283 HydrophobicContact CH2-CD2 4.34Å; W222-L283 HydrophobicContact CZ3-CD1 4.05Å; W222-I307 HydrophobicContact CB-CD1 4.24Å
223	G	97.9	Very high	97.4	Very high	2 Å²	2	10.7 Å²	10.7	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-64.6	-43.8	171.4	0	0	0	0	0	112.2	A220 L225 L227 E309 F310	A220-G223 PolarHBondContact O-N 3.07Å; G223-L225 VanDerWaalsContact C-N 3.33Å; G223-L225 PolarHBondContact O-N 3.28Å; G223-L227 WeakPolarHBondContact O-CB 3.35Å; G223-L227 PolarHBondContact O-N 2.71Å; G223-E309 VanDerWaalsContact CA-O 3.32Å; G223-E309 WeakPolarHBondContact CA-O 3.43Å; G223-F310 VanDerWaalsContact O-CD1 3.3Å; G223-F310 WeakPolarHBondContact O-CD1 3.26Å; G223-F310 WeakPolarHBondContact O-CE1 3.36Å
224	R	98.3	Very high	97.4	Very high	21 Å²	21	8.5 Å²	8.5	8%	0.079	5%	0.053	C	C	.	.	H	α-helix	trans	-59.3	-46.2	173.9	-68.6	-176.5	-174.7	89.6	10.7	111.2	L140 A220 E221 F228 F285 P311 D375	L140-R224 HydrophobicContact CD2-CB 4.16Å; L140-R224 HydrophobicContact CD2-CG 4.06Å; A220-R224 VanDerWaalsContact CB-NH1 3.32Å; A220-R224 PolarHBondContact O-N 3.13Å; A220-R224 PolarHBondContact O-NH1 3.43Å; E221-R224 PolarHBondContact O-N 3.19Å; E221-R224 IonicContact OE1-CZ 3.07Å; E221-R224 IonicContact OE1-NE 3.89Å; E221-R224 IonicContact OE1-NH1 2.76Å; E221-R224 PolarHBondContact OE1-NH1 2.98Å; R224-F228 WeakPolarHBondContact O-CB 3.5Å; R224-F228 PolarHBondContact O-N 2.98Å; R224-F228 VanDerWaalsContact O-N 3.1Å; R224-F285 HydrophobicContact CB-CZ 4.21Å; R224-P311 HydrophobicContact CG-CB 4.14Å; R224-P311 HydrophobicContact CG-CG 3.93Å; R224-D375 IonicContact CZ-OD1 3.45Å; R224-D375 IonicContact NE-OD1 3.44Å; R224-D375 PolarHBondContact NE-OD1 2.9Å; R224-D375 IonicContact NH2-OD1 3.77Å; R224-D375 PolarHBondContact NH2-OD1 2.9Å
225	L	98.3	Very high	97.1	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-61.9	-53.5	-179.8	177.3	67.1	0	0	0	111.9	E221 W222 G223 L227 F228 D229 R237 L238 I273 L283 F285	E221-L225 VanDerWaalsContact O-CB 3.32Å; E221-L225 WeakPolarHBondContact O-CB 3.37Å; E221-L225 PolarHBondContact O-N 3.12Å; W222-L225 HydrophobicContact CE3-CD2 4Å; W222-L225 HydrophobicContact CZ3-CD2 4.14Å; W222-L225 PolarHBondContact O-N 3.08Å; G223-L225 VanDerWaalsContact C-N 3.33Å; G223-L225 PolarHBondContact O-N 3.28Å; L225-L227 VanDerWaalsContact C-N 3.31Å; L225-L227 PolarHBondContact O-N 2.82Å; L225-F228 PolarHBondContact O-N 3.17Å; L225-D229 WeakPolarHBondContact O-CB 3.24Å; L225-D229 PolarHBondContact O-N 3.29Å; L225-R237 VanDerWaalsContact CD1-CD 3.44Å; L225-L238 HydrophobicContact CD2-CD1 4.16Å; L225-L238 HydrophobicContact CD2-CD2 3.86Å; L225-L238 HydrophobicContact CD2-CG 4.16Å; L225-L238 HydrophobicContact CG-CD1 4.35Å; L225-I273 HydrophobicContact CD2-CD1 4.5Å; L225-L283 HydrophobicContact CB-CD1 4.13Å; L225-L283 HydrophobicContact CD2-CD1 4.05Å; L225-F285 VanDerWaalsContact CA-CZ 3.46Å; L225-F285 HydrophobicContact CB-CE1 3.89Å; L225-F285 HydrophobicContact CB-CZ 3.87Å; L225-F285 HydrophobicContact CD1-CD1 3.73Å; L225-F285 HydrophobicContact CD1-CE1 3.5Å; L225-F285 VanDerWaalsContact CD1-CE1 3.5Å; L225-F285 HydrophobicContact CD1-CG 4.38Å; L225-F285 HydrophobicContact CD1-CZ 3.94Å; L225-F285 HydrophobicContact CG-CE1 4.31Å
226	A	98.4	Very high	96.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62	-38.2	-178.1	0	0	0	0	0	112.5	W222 F230 L303 L304 I307 F310	W222-A226 VanDerWaalsContact O-CB 3.31Å; W222-A226 WeakPolarHBondContact O-CB 3.28Å; W222-A226 PolarHBondContact O-N 3.08Å; A226-F230 WeakPolarHBondContact O-CB 3.5Å; A226-F230 PolarHBondContact O-N 2.72Å; A226-L303 WeakPolarHBondContact CB-O 3.31Å; A226-L304 HydrophobicContact CB-CD2 4.36Å; A226-I307 HydrophobicContact CB-CD1 3.82Å; A226-I307 HydrophobicContact CB-CG1 3.64Å; A226-F310 HydrophobicContact CB-CE1 4.46Å
227	L	98.6	Very high	96.9	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-61.1	-49.2	174.6	-177.8	148.7	0	0	0	110.9	L138 L140 G223 L225 F230 L231 F310 P311 A314 V315 I361	L138-L227 HydrophobicContact CD1-CD2 3.85Å; L140-L227 HydrophobicContact CD1-CD2 4.38Å; G223-L227 WeakPolarHBondContact O-CB 3.35Å; G223-L227 PolarHBondContact O-N 2.71Å; L225-L227 VanDerWaalsContact C-N 3.31Å; L225-L227 PolarHBondContact O-N 2.82Å; L227-F230 PolarHBondContact O-N 3.33Å; L227-L231 HydrophobicContact CD2-CD1 3.68Å; L227-L231 HydrophobicContact CD2-CG 4.49Å; L227-L231 HydrophobicContact CG-CD1 4.44Å; L227-L231 VanDerWaalsContact O-CG 3.32Å; L227-L231 WeakPolarHBondContact O-CG 3.41Å; L227-L231 PolarHBondContact O-N 3.06Å; L227-F310 HydrophobicContact CB-CD1 3.76Å; L227-F310 HydrophobicContact CB-CE1 3.82Å; L227-F310 HydrophobicContact CD1-CB 4.46Å; L227-F310 HydrophobicContact CD1-CD1 3.96Å; L227-F310 HydrophobicContact CD1-CG 4.35Å; L227-F310 HydrophobicContact CG-CD1 4.44Å; L227-P311 HydrophobicContact CD1-CG 4.23Å; L227-A314 HydrophobicContact CD1-CB 4.09Å; L227-A314 HydrophobicContact CD2-CB 4.2Å; L227-V315 HydrophobicContact CD1-CG2 4.24Å; L227-I361 HydrophobicContact CG-CD1 3.96Å
228	F	98.6	Very high	96.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.1	-50.9	-178.4	-173	-110.6	0	0	0	112.2	A131 L134 D135 L140 R224 L225 F230 L231 L232 F285 N288	A131-F228 HydrophobicContact CB-CE1 4.45Å; A131-F228 HydrophobicContact CB-CZ 3.79Å; A131-F228 VanDerWaalsContact O-CE2 3.29Å; A131-F228 WeakPolarHBondContact O-CE2 3.41Å; A131-F228 VanDerWaalsContact O-CZ 3.27Å; A131-F228 WeakPolarHBondContact O-CZ 3.41Å; L134-F228 HydrophobicContact CB-CE2 4.41Å; L134-F228 HydrophobicContact CD2-CD2 4.44Å; L134-F228 HydrophobicContact CD2-CE2 4.3Å; L134-F228 HydrophobicContact CG-CE2 4.37Å; D135-F228 HydrophobicContact CB-CD2 4.41Å; D135-F228 HydrophobicContact CB-CE2 3.66Å; D135-F228 HydrophobicContact CB-CZ 4.07Å; L140-F228 HydrophobicContact CD1-CB 3.76Å; L140-F228 HydrophobicContact CD1-CD2 3.67Å; L140-F228 HydrophobicContact CD1-CG 4.04Å; R224-F228 WeakPolarHBondContact O-CB 3.5Å; R224-F228 PolarHBondContact O-N 2.98Å; R224-F228 VanDerWaalsContact O-N 3.1Å; L225-F228 PolarHBondContact O-N 3.17Å; F228-F230 VanDerWaalsContact C-N 3.28Å; F228-F230 PolarHBondContact O-N 2.97Å; F228-L231 PolarHBondContact O-N 3.07Å; F228-L232 HydrophobicContact CD1-CD1 3.87Å; F228-L232 HydrophobicContact CD2-CD1 4.05Å; F228-L232 HydrophobicContact CE1-CD1 3.42Å; F228-L232 VanDerWaalsContact CE1-CD1 3.42Å; F228-L232 HydrophobicContact CE2-CD1 3.61Å; F228-L232 HydrophobicContact CG-CD1 4.19Å; F228-L232 HydrophobicContact CZ-CD1 3.31Å; F228-L232 PolarHBondContact O-N 3.4Å; F228-F285 HydrophobicContact CB-CD2 4.29Å; F228-F285 HydrophobicContact CB-CE2 3.91Å; F228-F285 AromaticContact CD1-CD2 3.49Å; F228-F285 HydrophobicContact CD1-CD2 3.49Å; F228-F285 VanDerWaalsContact CD1-CD2 3.49Å; F228-F285 AromaticContact CD1-CE2 3.99Å; F228-F285 HydrophobicContact CD1-CE2 3.99Å; F228-F285 HydrophobicContact CD1-CG 4.33Å; F228-F285 HydrophobicContact CE1-CB 4.31Å; F228-F285 AromaticContact CE1-CD2 3.83Å; F228-F285 HydrophobicContact CE1-CD2 3.83Å; F228-F285 HydrophobicContact CE1-CG 4.49Å; F228-F285 AromaticContact CG-CD2 3.92Å; F228-F285 HydrophobicContact CG-CD2 3.92Å; F228-F285 HydrophobicContact CG-CE2 4.01Å; F228-N288 HydrophobicContact CE1-CB 4.09Å; F228-N288 WeakPolarHBondContact CE1-OD1 3.36Å
229	D	98.4	Very high	96.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-62.9	-36.2	179.6	-76.9	2.3	0	0	0	111.1	L225 Q233 V234 R237 L303	L225-D229 WeakPolarHBondContact O-CB 3.24Å; L225-D229 PolarHBondContact O-N 3.29Å; D229-Q233 CarbonylContact O-C 3.56Å; D229-Q233 WeakPolarHBondContact O-CA 3.33Å; D229-Q233 PolarHBondContact O-N 3.41Å; D229-V234 HydrophobicContact CB-CB 4.13Å; D229-V234 PolarHBondContact O-N 3.48Å; D229-R237 IonicContact OD1-CZ 3.94Å; D229-R237 IonicContact OD1-NH1 2.9Å; D229-R237 IonicContact OD2-NE 2.59Å; D229-L303 HydrophobicContact CB-CD1 4.26Å
230	F	98.4	Very high	96.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-68.7	-43.4	174.7	-174.5	-85.7	0	0	0	112.4	A226 L227 F228 L232 Q233 L299 N300 F301 L303 L304 R357 I361	A226-F230 WeakPolarHBondContact O-CB 3.5Å; A226-F230 PolarHBondContact O-N 2.72Å; L227-F230 PolarHBondContact O-N 3.33Å; F228-F230 VanDerWaalsContact C-N 3.28Å; F228-F230 PolarHBondContact O-N 2.97Å; F230-L232 VanDerWaalsContact C-N 3.29Å; F230-L232 PolarHBondContact O-N 3.4Å; F230-Q233 PolarHBondContact O-N 3.16Å; F230-Q233 PolarHBondContact O-NE2 2.85Å; F230-L299 HydrophobicContact CE1-CD1 4.39Å; F230-L299 HydrophobicContact CE2-CB 4.29Å; F230-L299 HydrophobicContact CZ-CB 4.17Å; F230-L299 HydrophobicContact CZ-CD1 3.94Å; F230-N300 WeakPolarHBondContact CD2-O 3.42Å; F230-F301 AromaticContact CE2-CD1 3.81Å; F230-F301 HydrophobicContact CE2-CD1 3.81Å; F230-F301 HydrophobicContact CE2-CD2 4.44Å; F230-F301 AromaticContact CE2-CE1 3.9Å; F230-F301 HydrophobicContact CE2-CE1 3.9Å; F230-F301 HydrophobicContact CE2-CG 4.1Å; F230-F301 HydrophobicContact CE2-CZ 4.26Å; F230-F301 HydrophobicContact CZ-CD1 4.12Å; F230-F301 AromaticContact CZ-CE1 3.71Å; F230-F301 HydrophobicContact CZ-CE1 3.71Å; F230-F301 HydrophobicContact CZ-CE2 4.38Å; F230-F301 AromaticContact CZ-CZ 3.85Å; F230-F301 HydrophobicContact CZ-CZ 3.85Å; F230-L303 HydrophobicContact CB-CD1 4.47Å; F230-L304 HydrophobicContact CB-CD2 3.8Å; F230-L304 HydrophobicContact CD2-CD1 3.85Å; F230-L304 HydrophobicContact CD2-CD2 3.92Å; F230-L304 HydrophobicContact CD2-CG 3.76Å; F230-L304 HydrophobicContact CE2-CD1 3.9Å; F230-L304 HydrophobicContact CE2-CG 4.23Å; F230-L304 HydrophobicContact CG-CD1 4.28Å; F230-L304 HydrophobicContact CG-CD2 3.95Å; F230-L304 HydrophobicContact CG-CG 4.28Å; F230-L304 HydrophobicContact CZ-CD1 4.37Å; F230-R357 HydrophobicContact CE1-CB 4.39Å; F230-I361 HydrophobicContact CB-CD1 4.35Å; F230-I361 HydrophobicContact CD1-CD1 3.68Å; F230-I361 HydrophobicContact CD1-CG1 3.47Å; F230-I361 VanDerWaalsContact CD1-CG1 3.47Å; F230-I361 HydrophobicContact CE1-CD1 4.43Å; F230-I361 HydrophobicContact CE1-CG1 3.77Å; F230-I361 HydrophobicContact CG-CD1 4.35Å; F230-I361 HydrophobicContact CG-CG1 4.28Å
231	L	98.3	Very high	96.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61	-41.7	178.2	-72.5	176.8	0	0	0	111.7	L134 L138 L227 F228 L318 V354 R357 I361	L134-L231 HydrophobicContact CD2-CB 4.17Å; L134-L231 HydrophobicContact CD2-CD1 4.45Å; L138-L231 HydrophobicContact CD1-CD1 3.55Å; L227-L231 HydrophobicContact CD2-CD1 3.68Å; L227-L231 HydrophobicContact CD2-CG 4.49Å; L227-L231 HydrophobicContact CG-CD1 4.44Å; L227-L231 VanDerWaalsContact O-CG 3.32Å; L227-L231 WeakPolarHBondContact O-CG 3.41Å; L227-L231 PolarHBondContact O-N 3.06Å; F228-L231 PolarHBondContact O-N 3.07Å; L231-L318 HydrophobicContact CD1-CD2 4.43Å; L231-V354 HydrophobicContact CB-CG1 4.07Å; L231-V354 HydrophobicContact CD2-CG1 4.41Å; L231-R357 HydrophobicContact CD2-CB 4.15Å; L231-R357 WeakPolarHBondContact O-CD 3.23Å; L231-R357 PolarHBondContact O-NH1 3.35Å; L231-I361 HydrophobicContact CD2-CD1 3.82Å; L231-I361 HydrophobicContact CG-CD1 3.85Å
232	L	97.8	Very high	96.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-85.4	-13.7	-179.7	-63.3	172.8	0	0	0	113.6	F127 F130 A131 L134 F228 F230 V234 G290 R291	F127-L232 HydrophobicContact CD1-CD2 4.14Å; F127-L232 HydrophobicContact CE1-CB 4.14Å; F127-L232 HydrophobicContact CE1-CD2 3.31Å; F127-L232 HydrophobicContact CE1-CG 4.29Å; F127-L232 HydrophobicContact CZ-CD2 3.72Å; F130-L232 HydrophobicContact CD1-CD2 3.86Å; F130-L232 HydrophobicContact CE1-CD2 4Å; A131-L232 HydrophobicContact CB-CD1 3.47Å; A131-L232 VanDerWaalsContact CB-CD1 3.47Å; A131-L232 HydrophobicContact CB-CD2 4.27Å; L134-L232 HydrophobicContact CD2-CD1 4.38Å; L134-L232 HydrophobicContact CD2-CD2 3.55Å; L134-L232 HydrophobicContact CD2-CG 3.82Å; F228-L232 HydrophobicContact CD1-CD1 3.87Å; F228-L232 HydrophobicContact CD2-CD1 4.05Å; F228-L232 HydrophobicContact CE1-CD1 3.42Å; F228-L232 VanDerWaalsContact CE1-CD1 3.42Å; F228-L232 HydrophobicContact CE2-CD1 3.61Å; F228-L232 HydrophobicContact CG-CD1 4.19Å; F228-L232 HydrophobicContact CZ-CD1 3.31Å; F228-L232 PolarHBondContact O-N 3.4Å; F230-L232 VanDerWaalsContact C-N 3.29Å; F230-L232 PolarHBondContact O-N 3.4Å; L232-V234 VanDerWaalsContact C-N 3.29Å; L232-V234 HydrophobicContact CB-CG2 3.77Å; L232-V234 HydrophobicContact CD1-CG2 4.35Å; L232-G290 WeakPolarHBondContact O-CA 3.36Å; L232-R291 PolarHBondContact O-N 3.09Å
233	Q	97	Very high	96.3	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	40.9	-169.9	-61	-72.7	-57.1	0	0	112.5	D229 F230 N235 R291 Q294 L299	D229-Q233 CarbonylContact O-C 3.56Å; D229-Q233 WeakPolarHBondContact O-CA 3.33Å; D229-Q233 PolarHBondContact O-N 3.41Å; F230-Q233 PolarHBondContact O-N 3.16Å; F230-Q233 PolarHBondContact O-NE2 2.85Å; Q233-N235 PolarHBondContact O-N 3.09Å; Q233-R291 HydrophobicContact CB-CB 4.02Å; Q233-Q294 HydrophobicContact CB-CB 4.11Å; Q233-Q294 HydrophobicContact CB-CG 4.33Å; Q233-Q294 HydrophobicContact CG-CB 3.97Å; Q233-Q294 HydrophobicContact CG-CG 4.06Å; Q233-L299 HydrophobicContact CG-CD2 4.08Å
234	V	95.6	Very high	96.2	Very high	6 Å²	6	12.1 Å²	12.1	4%	0.036	7%	0.067	C	C	.	.			trans	-74.3	104.6	170.4	177	0	0	0	0	107.7	D229 L232 R237	D229-V234 HydrophobicContact CB-CB 4.13Å; D229-V234 PolarHBondContact O-N 3.48Å; L232-V234 VanDerWaalsContact C-N 3.29Å; L232-V234 HydrophobicContact CB-CG2 3.77Å; L232-V234 HydrophobicContact CD1-CG2 4.35Å; V234-R237 HydrophobicContact CG1-CB 4.48Å
235	N	91.1	Very high	96.1	Very high	16 Å²	16	12 Å²	12	9%	0.086	7%	0.067	C	C	.	.			trans	-94.3	-28.4	178.6	66.4	-79	0	0	0	112.8	Q233 R237 L238 D239 R240 C242 F245 R291	Q233-N235 PolarHBondContact O-N 3.09Å; N235-R237 PolarHBondContact O-N 3.45Å; N235-L238 PolarHBondContact O-N 3.37Å; N235-D239 HydrophobicContact CB-CB 4.48Å; N235-D239 PolarHBondContact ND2-O 3.01Å; N235-D239 CarbonylContact O-C 3.52Å; N235-D239 WeakPolarHBondContact O-CA 3.47Å; N235-D239 PolarHBondContact O-N 3.3Å; N235-D239 VanDerWaalsContact O-O 3.13Å; N235-R240 PolarHBondContact O-N 2.8Å; N235-C242 PolarHBondContact ND2-SG 2.78Å; N235-C242 VanDerWaalsContact ND2-SG 3.37Å; N235-F245 HydrophobicContact CB-CE1 3.77Å; N235-F245 HydrophobicContact CB-CZ 4.39Å; N235-R291 VanDerWaalsContact OD1-CD 3.23Å; N235-R291 WeakPolarHBondContact OD1-CD 3.45Å
236	D	91.1	Very high	96	Very high	57 Å²	57	16.9 Å²	16.9	31%	0.305	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.5	-167.4	-161.1	39.8	0	0	0	113.3	R240 V271 H272	D236-R240 WeakPolarHBondContact O-CB 3.45Å; D236-V271 WeakPolarHBondContact O-CG2 3.22Å; D236-H272 IonicContact OD2-CE1 2.59Å; D236-H272 PolarHBondContact OD2-CE1 2.96Å
237	R	94	Very high	95.8	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.008	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-61.6	-179.7	-164.7	-179.6	-63.6	169.4	13.4	114.1	L225 D229 V234 N235 L270 V271 H272 I273 F285 I286 N288	L225-R237 VanDerWaalsContact CD1-CD 3.44Å; D229-R237 IonicContact OD1-CZ 3.94Å; D229-R237 IonicContact OD1-NH1 2.9Å; D229-R237 IonicContact OD2-NE 2.59Å; V234-R237 HydrophobicContact CG1-CB 4.48Å; N235-R237 PolarHBondContact O-N 3.45Å; R237-L270 WeakPolarHBondContact O-CA 3.33Å; R237-V271 WeakPolarHBondContact CA-O 3.47Å; R237-V271 WeakPolarHBondContact CG-O 3.11Å; R237-V271 PolarHBondContact O-N 2.94Å; R237-V271 VanDerWaalsContact O-N 3.16Å; R237-H272 HydrophobicContact CG-CB 4.29Å; R237-I273 HydrophobicContact CG-CD1 3.89Å; R237-F285 VanDerWaalsContact NH1-CD1 3.33Å; R237-I286 PolarHBondContact NH2-O 3.04Å; R237-N288 PolarHBondContact NH2-OD1 3.12Å
238	L	95.5	Very high	95.5	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.016	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-20.5	-175.9	-63.3	-179.5	0	0	0	113.8	W192 Y195 L225 N235 L270 I273 L303	W192-L238 WeakPolarHBondContact CZ3-O 3.46Å; Y195-L238 HydrophobicContact CE1-CD2 4.33Å; L225-L238 HydrophobicContact CD2-CD1 4.16Å; L225-L238 HydrophobicContact CD2-CD2 3.86Å; L225-L238 HydrophobicContact CD2-CG 4.16Å; L225-L238 HydrophobicContact CG-CD1 4.35Å; N235-L238 PolarHBondContact O-N 3.37Å; L238-L270 HydrophobicContact CD2-CD2 3.57Å; L238-L270 HydrophobicContact CD2-CG 4.18Å; L238-I273 HydrophobicContact CD2-CD1 4.4Å; L238-L303 HydrophobicContact CB-CD2 3.76Å; L238-L303 HydrophobicContact CD1-CD2 4.43Å
239	D	95.4	Very high	95.3	Very high	5 Å²	5	27.3 Å²	27.3	3%	0.027	16%	0.16	C	C	.	.			trans	-140.9	52.9	-176	-172.1	34.9	0	0	0	111.1	N235 N241 C242 C243 G244 N300 R302 L303	N235-D239 HydrophobicContact CB-CB 4.48Å; N235-D239 PolarHBondContact ND2-O 3.01Å; N235-D239 CarbonylContact O-C 3.52Å; N235-D239 WeakPolarHBondContact O-CA 3.47Å; N235-D239 PolarHBondContact O-N 3.3Å; N235-D239 VanDerWaalsContact O-O 3.13Å; D239-N241 PolarHBondContact O-N 2.87Å; D239-C242 PolarHBondContact O-N 2.89Å; D239-C243 VanDerWaalsContact CG-N 3.31Å; D239-C243 WeakPolarHBondContact OD1-CB 3.3Å; D239-C243 PolarHBondContact OD1-N 2.81Å; D239-C243 PolarHBondContact OD2-N 3.29Å; D239-G244 PolarHBondContact OD2-N 3.26Å; D239-N300 PolarHBondContact OD2-ND2 3.32Å; D239-R302 IonicContact OD1-NE 3.7Å; D239-R302 PolarHBondContact OD1-NE 2.84Å; D239-L303 HydrophobicContact CB-CD2 4.14Å
240	R	93.3	Very high	94.9	Very high	67 Å²	67	30.4 Å²	30.4	25%	0.253	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-31.8	177.6	-175.9	176	-177.5	179.9	10.8	113.6	D184 N235 D236 C242 C253 L258 V271	D184-R240 VanDerWaalsContact CG-NH1 3.32Å; D184-R240 IonicContact OD1-CZ 3.28Å; D184-R240 IonicContact OD1-NH1 2.7Å; D184-R240 PolarHBondContact OD1-NH1 2.87Å; D184-R240 IonicContact OD1-NH2 3.95Å; D184-R240 PolarHBondContact OD1-NH2 2.86Å; D184-R240 IonicContact OD2-CZ 2.94Å; D184-R240 IonicContact OD2-NH1 3.76Å; D184-R240 PolarHBondContact OD2-NH1 2.84Å; N235-R240 PolarHBondContact O-N 2.8Å; D236-R240 WeakPolarHBondContact O-CB 3.45Å; R240-C242 VanDerWaalsContact C-N 3.35Å; R240-C253 VanDerWaalsContact O-CB 3.22Å; R240-C253 WeakPolarHBondContact O-CB 3.46Å; R240-L258 HydrophobicContact CG-CD1 4.07Å; R240-V271 VanDerWaalsContact NH1-CG1 3.28Å
241	N	95.3	Very high	94.5	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.043	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	0.3	-176.4	-61.4	71.9	0	0	0	113.5	D239 C243 L258 N259 L268	D239-N241 PolarHBondContact O-N 2.87Å; N241-C243 VanDerWaalsContact CB-SG 3.56Å; N241-C243 PolarHBondContact O-N 3.15Å; N241-L258 HydrophobicContact CB-CB 4.47Å; N241-L258 PolarHBondContact ND2-O 3.28Å; N241-N259 VanDerWaalsContact O-CA 3.24Å; N241-N259 WeakPolarHBondContact O-CA 3.47Å; N241-N259 WeakPolarHBondContact O-CB 3.45Å; N241-L268 HydrophobicContact CB-CD2 3.86Å
242	C	95.4	Very high	94.1	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.027	22%	0.22	C	C	.	.			trans	57.4	42	-177.7	-56	0	0	0	0	113.8	N235 D239 R240 F245 P247 C253	N235-C242 PolarHBondContact ND2-SG 2.78Å; N235-C242 VanDerWaalsContact ND2-SG 3.37Å; D239-C242 PolarHBondContact O-N 2.89Å; R240-C242 VanDerWaalsContact C-N 3.35Å; C242-F245 HydrophobicContact CB-CD1 4.46Å; C242-F245 HydrophobicContact CB-CE1 3.64Å; C242-F245 HydrophobicContact CB-CE2 4.34Å; C242-F245 HydrophobicContact CB-CZ 3.57Å; C242-F245 WeakPolarHBondContact SG-CZ 3.44Å; C242-P247 HydrophobicContact CB-CB 3.96Å; C242-P247 HydrophobicContact CB-CG 4.05Å; C242-C253 HydrophobicContact CB-CB 3.88Å; C242-C253 WeakPolarHBondContact CB-SG 3.42Å; C242-C253 WeakPolarHBondContact SG-CB 3.43Å; C242-C253 CovalentContact SG-SG 2.01Å; C242-C253 PolarHBondContact SG-SG 2.82Å
243	C	96.5	Very high	93.9	Very high	38 Å²	38	37.5 Å²	37.5	26%	0.257	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-20	-176.3	-56.6	0	0	0	0	113.5	D239 N241 C262	D239-C243 VanDerWaalsContact CG-N 3.31Å; D239-C243 WeakPolarHBondContact OD1-CB 3.3Å; D239-C243 PolarHBondContact OD1-N 2.81Å; D239-C243 PolarHBondContact OD2-N 3.29Å; N241-C243 VanDerWaalsContact CB-SG 3.56Å; N241-C243 PolarHBondContact O-N 3.15Å; C243-C262 WeakPolarHBondContact CA-SG 3.36Å; C243-C262 HydrophobicContact CB-CB 3.76Å; C243-C262 WeakPolarHBondContact CB-SG 3.29Å; C243-C262 WeakPolarHBondContact SG-CA 3.13Å; C243-C262 WeakPolarHBondContact SG-CB 3.47Å; C243-C262 CovalentContact SG-SG 2.04Å; C243-C262 PolarHBondContact SG-SG 3.42Å
244	G	95.6	Very high	93.8	Very high	25 Å²	25	39.3 Å²	39.3	26%	0.258	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	4.2	-173.8	0	0	0	0	0	115.8	D239 N300	D239-G244 PolarHBondContact OD2-N 3.26Å; G244-N300 VanDerWaalsContact CA-OD1 3.27Å; G244-N300 WeakPolarHBondContact CA-OD1 3.44Å
245	F	95.8	Very high	93.7	Very high	18 Å²	18	44.8 Å²	44.8	8%	0.079	26%	0.258	C	S	.	.	S	Bend	trans	-154	174.2	177.7	67.7	-79.2	0	0	0	110.3	N235 C242 P247 R291 N298 N300	N235-F245 HydrophobicContact CB-CE1 3.77Å; N235-F245 HydrophobicContact CB-CZ 4.39Å; C242-F245 HydrophobicContact CB-CD1 4.46Å; C242-F245 HydrophobicContact CB-CE1 3.64Å; C242-F245 HydrophobicContact CB-CE2 4.34Å; C242-F245 HydrophobicContact CB-CZ 3.57Å; C242-F245 WeakPolarHBondContact SG-CZ 3.44Å; F245-P247 HydrophobicContact CE2-CB 3.76Å; F245-P247 HydrophobicContact CZ-CB 4.25Å; F245-P247 VanDerWaalsContact O-CD 3.24Å; F245-P247 WeakPolarHBondContact O-CD 3.16Å; F245-R291 VanDerWaalsContact CD2-NH1 3.31Å; F245-N298 WeakPolarHBondContact CB-O 3.44Å; F245-N300 HydrophobicContact CB-CB 4.36Å; F245-N300 HydrophobicContact CD1-CB 3.89Å; F245-N300 WeakPolarHBondContact CD1-ND2 3.34Å; F245-N300 HydrophobicContact CG-CB 4.45Å
246	T	96.1	Very high	93.8	Very high	104 Å²	104	49 Å²	49	64%	0.638	28%	0.281	S	S	*	.			trans	-88.7	108.7	172.4	-55.2	0	0	0	0	109.7	N298	T246-N298 PolarHBondContact N-OD1 3.32Å; T246-N298 PolarHBondContact O-ND2 3.48Å
247	P	94.4	Very high	93.9	Very high	33 Å²	33	55.1 Å²	55.1	21%	0.214	30%	0.299	C	S	.	.			trans	-76.7	150.4	-178.2	31.3	-35.6	0	0	0	113.5	C242 F245 E251 V254	C242-P247 HydrophobicContact CB-CB 3.96Å; C242-P247 HydrophobicContact CB-CG 4.05Å; F245-P247 HydrophobicContact CE2-CB 3.76Å; F245-P247 HydrophobicContact CZ-CB 4.25Å; F245-P247 VanDerWaalsContact O-CD 3.24Å; F245-P247 WeakPolarHBondContact O-CD 3.16Å; P247-E251 HydrophobicContact CB-CB 4.12Å; P247-E251 HydrophobicContact CB-CG 3.99Å; P247-V254 HydrophobicContact CB-CG2 3.66Å; P247-V254 HydrophobicContact CG-CG2 3.43Å; P247-V254 VanDerWaalsContact CG-CG2 3.43Å
248	D	91.9	Very high	93.9	Very high	89 Å²	89	56.8 Å²	56.8	48%	0.476	31%	0.308	S	S	.	.			trans	-68.6	146.8	166.1	-173.7	-80	0	0	0	109.5	A250 E251	D248-A250 PolarHBondContact O-N 2.94Å; D248-A250 VanDerWaalsContact O-N 3.11Å; D248-A250 WeakPolarHBondContact OD1-CB 3.42Å; D248-A250 PolarHBondContact OD1-N 3.31Å; D248-E251 HydrophobicContact CB-CG 4.05Å; D248-E251 WeakPolarHBondContact O-CB 3.49Å; D248-E251 WeakPolarHBondContact O-CG 3.3Å; D248-E251 PolarHBondContact O-N 3.09Å
249	P	93.4	Very high	93.9	Very high	98 Å²	98	59.3 Å²	59.3	64%	0.636	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-27	176.1	-28.9	36.8	0	0	0	115.4	E251	P249-E251 VanDerWaalsContact C-N 3.33Å
250	A	90.8	Very high	93.8	Very high	64 Å²	64	65 Å²	65	53%	0.529	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.4	178.1	0	0	0	0	0	114	D248	D248-A250 PolarHBondContact O-N 2.94Å; D248-A250 VanDerWaalsContact O-N 3.11Å; D248-A250 WeakPolarHBondContact OD1-CB 3.42Å; D248-A250 PolarHBondContact OD1-N 3.31Å
251	E	90.6	Very high	94	Very high	51 Å²	51	65.3 Å²	65.3	24%	0.238	35%	0.354	C	S	.	.	S	Bend	trans	-67.8	136.9	175	-65.1	-69.7	171	0	0	110.5	P247 D248 P249 C253 V254 E255 R291	P247-E251 HydrophobicContact CB-CB 4.12Å; P247-E251 HydrophobicContact CB-CG 3.99Å; D248-E251 HydrophobicContact CB-CG 4.05Å; D248-E251 WeakPolarHBondContact O-CB 3.49Å; D248-E251 WeakPolarHBondContact O-CG 3.3Å; D248-E251 PolarHBondContact O-N 3.09Å; P249-E251 VanDerWaalsContact C-N 3.33Å; E251-C253 PolarHBondContact O-N 3.48Å; E251-C253 VanDerWaalsContact O-N 3.09Å; E251-V254 HydrophobicContact CB-CG2 4.43Å; E251-V254 WeakPolarHBondContact O-CA 3.48Å; E251-V254 WeakPolarHBondContact O-CB 3.44Å; E251-V254 PolarHBondContact O-N 2.95Å; E251-E255 PolarHBondContact O-N 3.36Å; E251-R291 IonicContact OE1-CZ 3.27Å; E251-R291 IonicContact OE1-NE 3.9Å; E251-R291 PolarHBondContact OE1-NE 2.94Å; E251-R291 IonicContact OE1-NH2 3.54Å; E251-R291 PolarHBondContact OE1-NH2 3.31Å; E251-R291 IonicContact OE2-NE 2.92Å
252	L	89.6	Confident	93.9	Very high	94 Å²	94	67.2 Å²	67.2	49%	0.492	37%	0.367	S	S	.	.	H	α-helix	trans	-57.4	-31.7	-176.1	-68.9	175.9	0	0	0	113.4	V254 N256	L252-V254 PolarHBondContact O-N 2.88Å; L252-N256 VanDerWaalsContact O-CB 3.23Å; L252-N256 WeakPolarHBondContact O-CB 3.42Å; L252-N256 PolarHBondContact O-N 3.34Å; L252-N256 PolarHBondContact O-ND2 3.24Å
253	C	93.3	Very high	93.8	Very high	5 Å²	5	71 Å²	71	3%	0.034	41%	0.407	C	S	.	.	H	α-helix	trans	-65.4	-26.7	176	61.2	0	0	0	0	113	R240 C242 E251 L258 N259	R240-C253 VanDerWaalsContact O-CB 3.22Å; R240-C253 WeakPolarHBondContact O-CB 3.46Å; C242-C253 HydrophobicContact CB-CB 3.88Å; C242-C253 WeakPolarHBondContact CB-SG 3.42Å; C242-C253 WeakPolarHBondContact SG-CB 3.43Å; C242-C253 CovalentContact SG-SG 2.01Å; C242-C253 PolarHBondContact SG-SG 2.82Å; E251-C253 PolarHBondContact O-N 3.48Å; E251-C253 VanDerWaalsContact O-N 3.09Å; C253-L258 HydrophobicContact CB-CB 4.42Å; C253-L258 WeakPolarHBondContact O-CA 3.43Å; C253-L258 WeakPolarHBondContact O-CB 3.19Å; C253-L258 PolarHBondContact O-N 2.82Å; C253-N259 PolarHBondContact O-N 3.38Å; C253-N259 VanDerWaalsContact O-N 3.08Å
254	V	95.1	Very high	93.7	Very high	39 Å²	39	72 Å²	72	24%	0.236	41%	0.41	C	S	.	.	H	α-helix	trans	-87.1	-48.2	176.2	-178.9	0	0	0	0	110	P247 E251 L252 N256 R257	P247-V254 HydrophobicContact CB-CG2 3.66Å; P247-V254 HydrophobicContact CG-CG2 3.43Å; P247-V254 VanDerWaalsContact CG-CG2 3.43Å; E251-V254 HydrophobicContact CB-CG2 4.43Å; E251-V254 WeakPolarHBondContact O-CA 3.48Å; E251-V254 WeakPolarHBondContact O-CB 3.44Å; E251-V254 PolarHBondContact O-N 2.95Å; L252-V254 PolarHBondContact O-N 2.88Å; V254-N256 VanDerWaalsContact C-N 3.28Å; V254-N256 PolarHBondContact O-N 3.04Å; V254-R257 WeakPolarHBondContact O-CA 3.31Å; V254-R257 PolarHBondContact O-N 2.94Å
255	E	94.3	Very high	93.5	Very high	121 Å²	121	73.4 Å²	73.4	57%	0.565	42%	0.416	S	S	*	.	H	α-helix	trans	-56.8	-43.4	178.8	-66.6	-168.6	152.7	0	0	111.8	E251 R257	E251-E255 PolarHBondContact O-N 3.36Å; E255-R257 VanDerWaalsContact C-N 3.25Å; E255-R257 PolarHBondContact O-N 3.09Å
256	N	92	Very high	93.3	Very high	105 Å²	105	80.3 Å²	80.3	56%	0.561	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	5.5	177.4	-62.9	-45.4	0	0	0	113.6	L252 V254 L258	L252-N256 VanDerWaalsContact O-CB 3.23Å; L252-N256 WeakPolarHBondContact O-CB 3.42Å; L252-N256 PolarHBondContact O-N 3.34Å; L252-N256 PolarHBondContact O-ND2 3.24Å; V254-N256 VanDerWaalsContact C-N 3.28Å; V254-N256 PolarHBondContact O-N 3.04Å; N256-L258 HydrophobicContact CB-CD1 4.45Å; N256-L258 HydrophobicContact CB-CG 4.01Å; N256-L258 PolarHBondContact O-N 3.26Å; N256-L258 VanDerWaalsContact O-N 3.17Å
257	R	94.2	Very high	93.1	Very high	185 Å²	185	79.6 Å²	79.6	70%	0.698	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	31.7	-179	-53.1	-176.2	178.3	-150	-1	113.7	V254 E255 N259 I260	V254-R257 WeakPolarHBondContact O-CA 3.31Å; V254-R257 PolarHBondContact O-N 2.94Å; E255-R257 VanDerWaalsContact C-N 3.25Å; E255-R257 PolarHBondContact O-N 3.09Å; R257-N259 VanDerWaalsContact C-N 3.32Å; R257-I260 HydrophobicContact CB-CD1 4.42Å; R257-I260 HydrophobicContact CB-CG2 4.28Å; R257-I260 WeakPolarHBondContact O-CD1 3.31Å; R257-I260 WeakPolarHBondContact O-CG1 3.5Å
258	L	93.7	Very high	93.1	Very high	36 Å²	36	78.4 Å²	78.4	19%	0.188	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-70.6	-33.5	175.8	-60.4	-177.6	0	0	0	111.1	R240 N241 C253 N256 I260 K261	R240-L258 HydrophobicContact CG-CD1 4.07Å; N241-L258 HydrophobicContact CB-CB 4.47Å; N241-L258 PolarHBondContact ND2-O 3.28Å; C253-L258 HydrophobicContact CB-CB 4.42Å; C253-L258 WeakPolarHBondContact O-CA 3.43Å; C253-L258 WeakPolarHBondContact O-CB 3.19Å; C253-L258 PolarHBondContact O-N 2.82Å; N256-L258 HydrophobicContact CB-CD1 4.45Å; N256-L258 HydrophobicContact CB-CG 4.01Å; N256-L258 PolarHBondContact O-N 3.26Å; N256-L258 VanDerWaalsContact O-N 3.17Å; L258-I260 PolarHBondContact O-N 3.12Å; L258-I260 VanDerWaalsContact O-N 3.12Å; L258-K261 WeakPolarHBondContact O-CB 3.48Å; L258-K261 PolarHBondContact O-N 2.98Å; L258-K261 VanDerWaalsContact O-N 3.08Å
259	N	95.1	Very high	93.2	Very high	56 Å²	56	78 Å²	78	30%	0.299	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-59.7	-22.5	-179.3	72.5	-42.8	0	0	0	114.3	N241 C253 R257 K261 C262	N241-N259 VanDerWaalsContact O-CA 3.24Å; N241-N259 WeakPolarHBondContact O-CA 3.47Å; N241-N259 WeakPolarHBondContact O-CB 3.45Å; C253-N259 PolarHBondContact O-N 3.38Å; C253-N259 VanDerWaalsContact O-N 3.08Å; R257-N259 VanDerWaalsContact C-N 3.32Å; N259-K261 PolarHBondContact O-N 3.39Å; N259-K261 VanDerWaalsContact O-N 3.11Å; N259-C262 WeakPolarHBondContact O-CB 3.42Å; N259-C262 PolarHBondContact O-N 3.48Å; N259-C262 VanDerWaalsContact O-N 3.11Å; N259-C262 PolarHBondContact O-SG 3.36Å
260	I	94.7	Very high	93.2	Very high	124 Å²	124	73.4 Å²	73.4	64%	0.636	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-61	-22.5	176.2	77.1	-172	0	0	0	112.4	R257 L258 C262	R257-I260 HydrophobicContact CB-CD1 4.42Å; R257-I260 HydrophobicContact CB-CG2 4.28Å; R257-I260 WeakPolarHBondContact O-CD1 3.31Å; R257-I260 WeakPolarHBondContact O-CG1 3.5Å; L258-I260 PolarHBondContact O-N 3.12Å; L258-I260 VanDerWaalsContact O-N 3.12Å; I260-C262 VanDerWaalsContact C-N 3.31Å; I260-C262 PolarHBondContact O-N 3.27Å
261	K	95.5	Very high	93.3	Very high	74 Å²	74	70.4 Å²	70.4	32%	0.322	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-80.7	-7.7	-179.2	-59.6	179.5	172.3	179.5	0	113.4	L258 N259 G263 N264 E267 L268	L258-K261 WeakPolarHBondContact O-CB 3.48Å; L258-K261 PolarHBondContact O-N 2.98Å; L258-K261 VanDerWaalsContact O-N 3.08Å; N259-K261 PolarHBondContact O-N 3.39Å; N259-K261 VanDerWaalsContact O-N 3.11Å; K261-G263 PolarHBondContact O-N 3.4Å; K261-N264 CarbonylContact O-C 3.6Å; K261-N264 PolarHBondContact O-N 2.83Å; K261-E267 HydrophobicContact CB-CB 4.26Å; K261-E267 HydrophobicContact CD-CB 4.19Å; K261-E267 HydrophobicContact CG-CB 4.45Å; K261-L268 HydrophobicContact CB-CD2 4.04Å
262	C	95.1	Very high	93.4	Very high	48 Å²	48	68.9 Å²	68.9	32%	0.324	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-60	-22.4	-176.7	-68	0	0	0	0	113.9	C243 N259 I260 N264	C243-C262 WeakPolarHBondContact CA-SG 3.36Å; C243-C262 HydrophobicContact CB-CB 3.76Å; C243-C262 WeakPolarHBondContact CB-SG 3.29Å; C243-C262 WeakPolarHBondContact SG-CA 3.13Å; C243-C262 WeakPolarHBondContact SG-CB 3.47Å; C243-C262 CovalentContact SG-SG 2.04Å; C243-C262 PolarHBondContact SG-SG 3.42Å; N259-C262 WeakPolarHBondContact O-CB 3.42Å; N259-C262 PolarHBondContact O-N 3.48Å; N259-C262 VanDerWaalsContact O-N 3.11Å; N259-C262 PolarHBondContact O-SG 3.36Å; I260-C262 VanDerWaalsContact C-N 3.31Å; I260-C262 PolarHBondContact O-N 3.27Å; C262-N264 VanDerWaalsContact C-N 3.27Å; C262-N264 PolarHBondContact O-N 2.94Å
263	G	92.9	Very high	93.6	Very high	83 Å²	83	64.5 Å²	64.5	86%	0.856	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-72.2	-13.3	173.3	0	0	0	0	0	114.9	K261	K261-G263 PolarHBondContact O-N 3.4Å
264	N	94.2	Very high	93.7	Very high	61 Å²	61	64.3 Å²	64.3	33%	0.326	34%	0.336	S	S	.	.			trans	-132	97.5	-178.8	-174.3	4.6	0	0	0	111.5	K261 C262 K266 E267	K261-N264 CarbonylContact O-C 3.6Å; K261-N264 PolarHBondContact O-N 2.83Å; C262-N264 VanDerWaalsContact C-N 3.27Å; C262-N264 PolarHBondContact O-N 2.94Å; N264-K266 PolarHBondContact O-N 3.36Å; N264-K266 WeakPolarHBondContact OD1-CB 3.39Å; N264-K266 PolarHBondContact OD1-N 2.96Å; N264-E267 HydrophobicContact CB-CG 4.38Å; N264-E267 PolarHBondContact ND2-OE1 3.3Å; N264-E267 PolarHBondContact O-N 3.47Å
265	S	91.3	Very high	93.8	Very high	54 Å²	54	62.6 Å²	62.6	38%	0.378	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-59.4	-20.9	-178.5	60.7	0	0	0	0	114.8	E267 L268	S265-E267 PolarHBondContact O-N 2.9Å; S265-L268 PolarHBondContact O-N 3.12Å
266	K	92.2	Very high	93.9	Very high	162 Å²	162	60.1 Å²	60.1	70%	0.704	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-70.8	-20.1	177.5	-62.4	177.9	-179.8	175.7	0	113.1	V193 N264	V193-K266 HydrophobicContact CG2-CG 4.46Å; N264-K266 PolarHBondContact O-N 3.36Å; N264-K266 WeakPolarHBondContact OD1-CB 3.39Å; N264-K266 PolarHBondContact OD1-N 2.96Å
267	E	91.4	Very high	94.1	Very high	90 Å²	90	60.5 Å²	60.5	42%	0.421	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-92.8	-5.5	-180	-67.6	178.8	-139	0	0	113.1	K261 N264 S265	K261-E267 HydrophobicContact CB-CB 4.26Å; K261-E267 HydrophobicContact CD-CB 4.19Å; K261-E267 HydrophobicContact CG-CB 4.45Å; N264-E267 HydrophobicContact CB-CG 4.38Å; N264-E267 PolarHBondContact ND2-OE1 3.3Å; N264-E267 PolarHBondContact O-N 3.47Å; S265-E267 PolarHBondContact O-N 2.9Å
268	L	94.5	Very high	94.1	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.037	31%	0.308	C	S	.	.			trans	-86.2	122.5	-176.7	-54.5	-178.4	0	0	0	110	S191 W192 N241 K261 S265	S191-L268 CarbonylContact C-O 3.58Å; S191-L268 VanDerWaalsContact CA-O 3.29Å; S191-L268 WeakPolarHBondContact CA-O 3.41Å; S191-L268 WeakPolarHBondContact CB-O 3.42Å; W192-L268 HydrophobicContact CB-CB 3.74Å; W192-L268 HydrophobicContact CB-CD1 4.44Å; W192-L268 HydrophobicContact CG-CD1 4.49Å; W192-L268 PolarHBondContact N-O 3.47Å; N241-L268 HydrophobicContact CB-CD2 3.86Å; K261-L268 HydrophobicContact CB-CD2 4.04Å; S265-L268 PolarHBondContact O-N 3.12Å
269	Q	93.1	Very high	94.3	Very high	81 Å²	81	57.8 Å²	57.8	38%	0.379	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-110.6	145.6	177.3	-58.5	-56.3	-48.4	0	0	110.1
270	L	94.1	Very high	94.3	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	32%	0.318	C	S	.	.			trans	-89.1	150.7	168	-75	61.5	0	0	0	108.6	N186 L190 W192 Y195 R237 L238 I273	N186-L270 PolarHBondContact ND2-O 3.1Å; L190-L270 HydrophobicContact CB-CB 4.38Å; L190-L270 HydrophobicContact CB-CD2 4.37Å; L190-L270 WeakPolarHBondContact O-CB 3.44Å; L190-L270 PolarHBondContact O-N 3.39Å; W192-L270 HydrophobicContact CB-CD1 4.31Å; W192-L270 HydrophobicContact CE3-CD1 4.3Å; Y195-L270 HydrophobicContact CD1-CD2 4.19Å; Y195-L270 HydrophobicContact CD2-CD2 4.11Å; Y195-L270 HydrophobicContact CG-CD2 3.78Å; R237-L270 WeakPolarHBondContact O-CA 3.33Å; L238-L270 HydrophobicContact CD2-CD2 3.57Å; L238-L270 HydrophobicContact CD2-CG 4.18Å; L270-I273 HydrophobicContact CB-CD1 4.2Å; L270-I273 HydrophobicContact CB-CG1 3.88Å; L270-I273 HydrophobicContact CD2-CD1 4.18Å; L270-I273 HydrophobicContact CD2-CG1 4.39Å
271	V	92.4	Very high	94.4	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	30%	0.296	C	S	.	.			trans	-132.1	168.9	174.5	-62.6	0	0	0	0	110.4	D184 N186 D236 R237 R240 I273	D184-V271 HydrophobicContact CB-CB 4.46Å; D184-V271 HydrophobicContact CB-CG1 3.85Å; N186-V271 VanDerWaalsContact OD1-CA 3.31Å; N186-V271 WeakPolarHBondContact OD1-CA 3.1Å; D236-V271 WeakPolarHBondContact O-CG2 3.22Å; R237-V271 WeakPolarHBondContact CA-O 3.47Å; R237-V271 WeakPolarHBondContact CG-O 3.11Å; R237-V271 PolarHBondContact O-N 2.94Å; R237-V271 VanDerWaalsContact O-N 3.16Å; R240-V271 VanDerWaalsContact NH1-CG1 3.28Å; V271-I273 PolarHBondContact O-N 3.24Å; V271-I273 VanDerWaalsContact O-N 3.15Å
272	H	92.4	Very high	94.5	Very high	18 Å²	18	54.9 Å²	54.9	8%	0.083	30%	0.299	C	S	.	.			trans	54.2	31.8	-178	-44	146.4	0	0	0	113.4	D184 N186 D236 R237 L274 I286 D287	D184-H272 PolarHBondContact O-CD2 3.03Å; D184-H272 PolarHBondContact O-N 3.13Å; N186-H272 PolarHBondContact OD1-N 3.02Å; D236-H272 IonicContact OD2-CE1 2.59Å; D236-H272 PolarHBondContact OD2-CE1 2.96Å; R237-H272 HydrophobicContact CG-CB 4.29Å; H272-L274 PolarHBondContact O-N 3.37Å; H272-I286 HydrophobicContact CB-CG1 4.28Å; H272-D287 IonicContact CE1-OD2 3.06Å; H272-D287 IonicContact NE2-OD2 3.43Å
273	I	95.1	Very high	94.6	Very high	2 Å²	2	53 Å²	53	1%	0.01	29%	0.285	C	S	.	.			trans	-85.9	93.3	171.5	-54.2	-52.6	0	0	0	107.7	N186 S187 L190 W222 L225 R237 L238 L270 V271 L283	N186-I273 PolarHBondContact OD1-N 3.48Å; S187-I273 PolarHBondContact N-O 2.97Å; L190-I273 HydrophobicContact CD1-CG2 4.25Å; W222-I273 HydrophobicContact CH2-CG2 3.81Å; W222-I273 HydrophobicContact CZ3-CD1 4.22Å; W222-I273 HydrophobicContact CZ3-CG2 4.33Å; L225-I273 HydrophobicContact CD2-CD1 4.5Å; R237-I273 HydrophobicContact CG-CD1 3.89Å; L238-I273 HydrophobicContact CD2-CD1 4.4Å; L270-I273 HydrophobicContact CB-CD1 4.2Å; L270-I273 HydrophobicContact CB-CG1 3.88Å; L270-I273 HydrophobicContact CD2-CD1 4.18Å; L270-I273 HydrophobicContact CD2-CG1 4.39Å; V271-I273 PolarHBondContact O-N 3.24Å; V271-I273 VanDerWaalsContact O-N 3.15Å; I273-L283 HydrophobicContact CG2-CD2 4.13Å
274	L	95.2	Very high	94.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.9	-170.1	-72.7	173.3	0	0	0	113.1	I175 Q176 Q185 S187 H272 L283 V284 I286	I175-L274 HydrophobicContact CG2-CB 4.37Å; I175-L274 HydrophobicContact CG2-CD1 4Å; I175-L274 HydrophobicContact CG2-CD2 3.69Å; I175-L274 HydrophobicContact CG2-CG 4.26Å; Q176-L274 WeakPolarHBondContact O-CD2 3.45Å; Q185-L274 WeakPolarHBondContact O-CD2 3.13Å; Q185-L274 VanDerWaalsContact O-CG 3.23Å; Q185-L274 WeakPolarHBondContact O-CG 3.34Å; S187-L274 VanDerWaalsContact OG-CA 3.31Å; S187-L274 WeakPolarHBondContact OG-CA 3.46Å; S187-L274 WeakPolarHBondContact OG-CD2 3.4Å; H272-L274 PolarHBondContact O-N 3.37Å; L274-L283 CarbonylContact O-C 3.55Å; L274-L283 VanDerWaalsContact O-CA 3.25Å; L274-L283 WeakPolarHBondContact O-CA 3.23Å; L274-V284 HydrophobicContact CB-CB 4.26Å; L274-V284 PolarHBondContact O-N 2.87Å; L274-I286 HydrophobicContact CD1-CB 4.38Å; L274-I286 HydrophobicContact CD1-CD1 3.16Å; L274-I286 HydrophobicContact CD1-CG1 3.49Å; L274-I286 VanDerWaalsContact CD1-CG1 3.49Å; L274-I286 HydrophobicContact CD1-CG2 4.02Å
275	V	96.8	Very high	95	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	166.8	171.6	-53.9	0	0	0	0	110.5	Q176 S187 V217 P280 R282 L283	Q176-V275 HydrophobicContact CB-CG2 4.49Å; Q176-V275 PolarHBondContact N-O 3.37Å; S187-V275 PolarHBondContact OG-N 2.98Å; V217-V275 HydrophobicContact CG2-CG1 3.77Å; V275-P280 WeakPolarHBondContact CG1-O 3.39Å; V275-P280 HydrophobicContact CG2-CB 4.07Å; V275-R282 WeakPolarHBondContact CB-O 3.49Å; V275-R282 WeakPolarHBondContact CG1-O 3.43Å; V275-L283 HydrophobicContact CG1-CD2 4.21Å
276	R	96.1	Very high	95.1	Very high	68 Å²	68	44.8 Å²	44.8	26%	0.257	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-85.4	147.6	172	-79	-175.5	-172.8	-66	-13.5	111.2	D172 D174 T278 D279 P280 V284	D172-R276 IonicContact OD1-CZ 3.83Å; D172-R276 IonicContact OD1-NH1 3.83Å; D172-R276 PolarHBondContact OD1-NH1 3.29Å; D172-R276 IonicContact OD2-CZ 3.77Å; D172-R276 IonicContact OD2-NH1 3.99Å; D172-R276 PolarHBondContact OD2-NH1 3.28Å; D172-R276 IonicContact OD2-NH2 3.32Å; D172-R276 PolarHBondContact OD2-NH2 3.02Å; D174-R276 CarbonylContact O-C 2.87Å; D174-R276 WeakPolarHBondContact O-CA 3.14Å; D174-R276 WeakPolarHBondContact OD2-CB 3.16Å; R276-T278 VanDerWaalsContact C-N 3.33Å; R276-D279 HydrophobicContact CB-CB 4.45Å; R276-D279 CarbonylContact O-C 3.18Å; R276-D279 PolarHBondContact O-N 2.66Å; R276-P280 VanDerWaalsContact O-CA 3.24Å; R276-P280 WeakPolarHBondContact O-CA 3.45Å; R276-P280 VanDerWaalsContact O-N 3.09Å; R276-V284 HydrophobicContact CG-CG2 3.82Å
277	K	95.4	Very high	95	Very high	113 Å²	113	38.9 Å²	38.9	49%	0.491	19%	0.194	S	C	.	.	S	Bend	trans	-67.4	-37.7	172	-60.8	159.7	-168.1	154.6	0	110.5	P173 D174 I175 Q176 D279	P173-K277 PolarHBondContact O-NZ 3.33Å; D174-K277 WeakPolarHBondContact O-CG 3.47Å; D174-K277 PolarHBondContact O-N 3.06Å; D174-K277 WeakPolarHBondContact OD1-CB 3.42Å; D174-K277 PolarHBondContact OD2-N 3.3Å; I175-K277 WeakPolarHBondContact O-CE 3.47Å; Q176-K277 HydrophobicContact CB-CG 3.94Å; K277-D279 VanDerWaalsContact C-N 3.35Å
278	T	95.9	Very high	95.2	Very high	116 Å²	116	34.9 Å²	34.9	71%	0.712	18%	0.175	S	C	*	.	S	Bend	trans	-77.2	-21.9	179.1	60.1	0	0	0	0	113.6	D174 R276	D174-T278 PolarHBondContact OD2-N 3.1Å; D174-T278 VanDerWaalsContact OD2-N 3.12Å; D174-T278 PolarHBondContact OD2-OG1 2.84Å; R276-T278 VanDerWaalsContact C-N 3.33Å
279	D	96.2	Very high	94.7	Very high	49 Å²	49	35.7 Å²	35.7	26%	0.262	18%	0.183	S	C	.	.			trans	-142.7	79.6	176	-172.7	1.7	0	0	0	110.5	R276 K277 S281 R282	R276-D279 HydrophobicContact CB-CB 4.45Å; R276-D279 CarbonylContact O-C 3.18Å; R276-D279 PolarHBondContact O-N 2.66Å; K277-D279 VanDerWaalsContact C-N 3.35Å; D279-S281 PolarHBondContact O-N 3.15Å; D279-S281 VanDerWaalsContact O-N 3.14Å; D279-S281 PolarHBondContact OD1-N 3.03Å; D279-S281 PolarHBondContact OD1-OG 2.94Å; D279-R282 WeakPolarHBondContact OD2-CD 3.47Å; D279-R282 WeakPolarHBondContact OD2-CG 3.44Å; D279-R282 IonicContact OD2-NE 3.68Å; D279-R282 PolarHBondContact OD2-NE 2.76Å
280	P	95.8	Very high	94.6	Very high	66 Å²	66	32.9 Å²	32.9	43%	0.429	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-3.9	-177.6	30.5	-36.1	0	0	0	112.8	V275 R276	V275-P280 WeakPolarHBondContact CG1-O 3.39Å; V275-P280 HydrophobicContact CG2-CB 4.07Å; R276-P280 VanDerWaalsContact O-CA 3.24Å; R276-P280 WeakPolarHBondContact O-CA 3.45Å; R276-P280 VanDerWaalsContact O-N 3.09Å
281	S	96.5	Very high	94.5	Very high	26 Å²	26	34.1 Å²	34.1	18%	0.182	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-13	-177.5	78.8	0	0	0	0	113.7	G216 L218 D279	G216-S281 WeakPolarHBondContact O-CA 3.31Å; L218-S281 PolarHBondContact N-O 3.46Å; D279-S281 PolarHBondContact O-N 3.15Å; D279-S281 VanDerWaalsContact O-N 3.14Å; D279-S281 PolarHBondContact OD1-N 3.03Å; D279-S281 PolarHBondContact OD1-OG 2.94Å
282	R	97.1	Very high	94.3	Very high	101 Å²	101	35.3 Å²	35.3	38%	0.381	19%	0.188	S	C	.	.	S	Bend	trans	-118	139.8	-176.2	-61.3	-172.8	-176.8	-160.8	-6.9	111.1	E221 V275 D279	E221-R282 WeakPolarHBondContact OE2-CA 3.4Å; V275-R282 WeakPolarHBondContact CB-O 3.49Å; V275-R282 WeakPolarHBondContact CG1-O 3.43Å; D279-R282 WeakPolarHBondContact OD2-CD 3.47Å; D279-R282 WeakPolarHBondContact OD2-CG 3.44Å; D279-R282 IonicContact OD2-NE 3.68Å; D279-R282 PolarHBondContact OD2-NE 2.76Å
283	L	97.7	Very high	94.2	Very high	7 Å²	7	44 Å²	44	4%	0.037	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	157.9	178.5	-68.1	174.8	0	0	0	110.9	R142 V217 E221 W222 L225 I273 L274 V275 F285	R142-L283 WeakPolarHBondContact CD-O 3.3Å; V217-L283 HydrophobicContact CG1-CD1 4.3Å; V217-L283 HydrophobicContact CG1-CD2 3.92Å; V217-L283 HydrophobicContact CG1-CG 3.78Å; V217-L283 HydrophobicContact CG2-CD2 4.01Å; E221-L283 HydrophobicContact CB-CB 4.37Å; E221-L283 HydrophobicContact CB-CD1 3.78Å; E221-L283 HydrophobicContact CB-CG 3.84Å; E221-L283 PolarHBondContact OE2-N 2.92Å; W222-L283 HydrophobicContact CD2-CD1 4.28Å; W222-L283 HydrophobicContact CE3-CD1 3.94Å; W222-L283 HydrophobicContact CH2-CD1 4.47Å; W222-L283 HydrophobicContact CH2-CD2 4.34Å; W222-L283 HydrophobicContact CZ3-CD1 4.05Å; L225-L283 HydrophobicContact CB-CD1 4.13Å; L225-L283 HydrophobicContact CD2-CD1 4.05Å; I273-L283 HydrophobicContact CG2-CD2 4.13Å; L274-L283 CarbonylContact O-C 3.55Å; L274-L283 VanDerWaalsContact O-CA 3.25Å; L274-L283 WeakPolarHBondContact O-CA 3.23Å; V275-L283 HydrophobicContact CG1-CD2 4.21Å; L283-F285 HydrophobicContact CB-CD1 4.3Å; L283-F285 HydrophobicContact CB-CE1 3.8Å; L283-F285 HydrophobicContact CD1-CE1 4.42Å
284	V	97.8	Very high	94.1	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.9	168.9	-178	0	0	0	0	108.1	L144 I175 L274 R276 I286	L144-V284 HydrophobicContact CD2-CG1 3.81Å; L144-V284 HydrophobicContact CG-CG1 4.19Å; I175-V284 HydrophobicContact CD1-CG1 3.89Å; I175-V284 HydrophobicContact CG1-CG1 4.32Å; L274-V284 HydrophobicContact CB-CB 4.26Å; L274-V284 PolarHBondContact O-N 2.87Å; R276-V284 HydrophobicContact CG-CG2 3.82Å; V284-I286 HydrophobicContact CG1-CG2 4.11Å
285	F	97.4	Very high	94	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-97.8	108.3	-175.8	-60.2	-7.6	0	0	0	110	L140 R142 S143 R224 L225 F228 R237 L283 N288	L140-F285 HydrophobicContact CD1-CE2 4.43Å; R142-F285 HydrophobicContact CB-CB 4.43Å; R142-F285 HydrophobicContact CB-CD1 3.85Å; R142-F285 HydrophobicContact CB-CD2 3.5Å; R142-F285 VanDerWaalsContact CB-CD2 3.5Å; R142-F285 HydrophobicContact CB-CE1 3.84Å; R142-F285 HydrophobicContact CB-CE2 3.51Å; R142-F285 HydrophobicContact CB-CG 3.66Å; R142-F285 HydrophobicContact CB-CZ 3.66Å; R142-F285 HydrophobicContact CG-CD2 4.47Å; R142-F285 HydrophobicContact CG-CE1 4.17Å; R142-F285 HydrophobicContact CG-CE2 4.01Å; R142-F285 HydrophobicContact CG-CZ 3.81Å; R142-F285 PolarHBondContact O-N 2.85Å; S143-F285 WeakPolarHBondContact CA-O 3.42Å; R224-F285 HydrophobicContact CB-CZ 4.21Å; L225-F285 VanDerWaalsContact CA-CZ 3.46Å; L225-F285 HydrophobicContact CB-CE1 3.89Å; L225-F285 HydrophobicContact CB-CZ 3.87Å; L225-F285 HydrophobicContact CD1-CD1 3.73Å; L225-F285 HydrophobicContact CD1-CE1 3.5Å; L225-F285 VanDerWaalsContact CD1-CE1 3.5Å; L225-F285 HydrophobicContact CD1-CG 4.38Å; L225-F285 HydrophobicContact CD1-CZ 3.94Å; L225-F285 HydrophobicContact CG-CE1 4.31Å; F228-F285 HydrophobicContact CB-CD2 4.29Å; F228-F285 HydrophobicContact CB-CE2 3.91Å; F228-F285 AromaticContact CD1-CD2 3.49Å; F228-F285 HydrophobicContact CD1-CD2 3.49Å; F228-F285 VanDerWaalsContact CD1-CD2 3.49Å; F228-F285 AromaticContact CD1-CE2 3.99Å; F228-F285 HydrophobicContact CD1-CE2 3.99Å; F228-F285 HydrophobicContact CD1-CG 4.33Å; F228-F285 HydrophobicContact CE1-CB 4.31Å; F228-F285 AromaticContact CE1-CD2 3.83Å; F228-F285 HydrophobicContact CE1-CD2 3.83Å; F228-F285 HydrophobicContact CE1-CG 4.49Å; F228-F285 AromaticContact CG-CD2 3.92Å; F228-F285 HydrophobicContact CG-CD2 3.92Å; F228-F285 HydrophobicContact CG-CE2 4.01Å; R237-F285 VanDerWaalsContact NH1-CD1 3.33Å; L283-F285 HydrophobicContact CB-CD1 4.3Å; L283-F285 HydrophobicContact CB-CE1 3.8Å; L283-F285 HydrophobicContact CD1-CE1 4.42Å; F285-N288 WeakPolarHBondContact CB-OD1 3.39Å; F285-N288 PolarHBondContact O-ND2 3.28Å
286	I	93.6	Very high	93.8	Very high	20 Å²	20	48.3 Å²	48.3	10%	0.103	26%	0.255	C	S	.	.			trans	-121.3	162.9	173.8	78.8	166.7	0	0	0	110.9	L144 I175 Q185 R237 H272 L274 V284	L144-I286 HydrophobicContact CD1-CG2 3.88Å; L144-I286 HydrophobicContact CG-CG2 4.35Å; I175-I286 HydrophobicContact CD1-CG2 4.13Å; Q185-I286 HydrophobicContact CB-CD1 4.49Å; R237-I286 PolarHBondContact NH2-O 3.04Å; H272-I286 HydrophobicContact CB-CG1 4.28Å; L274-I286 HydrophobicContact CD1-CB 4.38Å; L274-I286 HydrophobicContact CD1-CD1 3.16Å; L274-I286 HydrophobicContact CD1-CG1 3.49Å; L274-I286 VanDerWaalsContact CD1-CG1 3.49Å; L274-I286 HydrophobicContact CD1-CG2 4.02Å; V284-I286 HydrophobicContact CG1-CG2 4.11Å
287	D	91.2	Very high	93.7	Very high	39 Å²	39	50.5 Å²	50.5	21%	0.209	28%	0.28	C	S	.	.			trans	57.8	54.7	179.6	-62.2	-44.5	0	0	0	111.2	K121 E128 Q185 H272	K121-D287 IonicContact NZ-OD1 2.98Å; K121-D287 PolarHBondContact NZ-OD1 3.29Å; E128-D287 WeakPolarHBondContact OE1-CA 3.22Å; Q185-D287 PolarHBondContact OE1-OD2 2.9Å; H272-D287 IonicContact CE1-OD2 3.06Å; H272-D287 IonicContact NE2-OD2 3.43Å
288	N	94.9	Very high	93.8	Very high	5 Å²	5	47 Å²	47	3%	0.027	27%	0.267	C	S	.	.			trans	-97.2	16.4	-175.1	-42.6	-74.9	0	0	0	113.4	E128 A131 F228 R237 F285 G290	E128-N288 PolarHBondContact OE1-N 3.2Å; E128-N288 WeakPolarHBondContact OE2-CA 3.4Å; E128-N288 WeakPolarHBondContact OE2-CB 3.47Å; E128-N288 PolarHBondContact OE2-N 2.9Å; E128-N288 PolarHBondContact OE2-ND2 3.22Å; E128-N288 VanDerWaalsContact OE2-ND2 3.12Å; A131-N288 HydrophobicContact CB-CB 3.5Å; F228-N288 HydrophobicContact CE1-CB 4.09Å; F228-N288 WeakPolarHBondContact CE1-OD1 3.36Å; R237-N288 PolarHBondContact NH2-OD1 3.12Å; F285-N288 WeakPolarHBondContact CB-OD1 3.39Å; F285-N288 PolarHBondContact O-ND2 3.28Å; N288-G290 PolarHBondContact O-N 3.22Å
289	A	84.7	Confident	93.8	Very high	24 Å²	24	42 Å²	42	20%	0.198	24%	0.236	C	C	.	.			trans	-54.2	-18.2	-178.8	0	0	0	0	0	114.5	D125 F127 E128	D125-A289 HydrophobicContact CB-CB 4.24Å; F127-A289 WeakPolarHBondContact CB-O 3.45Å; F127-A289 WeakPolarHBondContact CD1-O 3.47Å; F127-A289 WeakPolarHBondContact CG-O 3.45Å; E128-A289 HydrophobicContact CG-CB 4.33Å; E128-A289 PolarHBondContact OE1-N 3.4Å
290	G	89.8	Confident	93.9	Very high	23 Å²	23	39.7 Å²	39.7	24%	0.237	22%	0.223	C	C	.	.			trans	56	-168.3	165.7	0	0	0	0	0	115.1	L232 N288	L232-G290 WeakPolarHBondContact O-CA 3.36Å; N288-G290 PolarHBondContact O-N 3.22Å
291	R	92.3	Very high	94	Very high	27 Å²	27	40.4 Å²	40.4	10%	0.102	22%	0.22	C	C	.	.			trans	-134.6	76.7	-178.6	-63.4	176.7	71.5	-128.4	0	109.1	L232 Q233 N235 F245 E251 K293 Q294 R357	L232-R291 PolarHBondContact O-N 3.09Å; Q233-R291 HydrophobicContact CB-CB 4.02Å; N235-R291 VanDerWaalsContact OD1-CD 3.23Å; N235-R291 WeakPolarHBondContact OD1-CD 3.45Å; F245-R291 VanDerWaalsContact CD2-NH1 3.31Å; E251-R291 IonicContact OE1-CZ 3.27Å; E251-R291 IonicContact OE1-NE 3.9Å; E251-R291 PolarHBondContact OE1-NE 2.94Å; E251-R291 IonicContact OE1-NH2 3.54Å; E251-R291 PolarHBondContact OE1-NH2 3.31Å; E251-R291 IonicContact OE2-NE 2.92Å; R291-K293 PolarHBondContact O-N 3.28Å; R291-K293 VanDerWaalsContact O-N 3.12Å; R291-Q294 HydrophobicContact CB-CB 4.19Å; R291-Q294 WeakPolarHBondContact O-CB 3.39Å; R291-Q294 PolarHBondContact O-N 2.85Å; R291-Q294 VanDerWaalsContact O-N 3.09Å; R291-R357 PolarHBondContact O-NH2 2.86Å
292	P	89.1	Confident	94	Very high	26 Å²	26	40.7 Å²	40.7	17%	0.169	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36	-171.9	18	-30.6	0	0	0	112.5	W126 F127 Q294 L350 L353 R357	W126-P292 HydrophobicContact CZ2-CG 4.48Å; F127-P292 HydrophobicContact CD2-CB 4.05Å; F127-P292 HydrophobicContact CD2-CG 4.2Å; F127-P292 HydrophobicContact CE1-CB 4.41Å; F127-P292 HydrophobicContact CE2-CB 3.74Å; F127-P292 HydrophobicContact CE2-CG 4.38Å; F127-P292 HydrophobicContact CG-CG 4.39Å; F127-P292 HydrophobicContact CZ-CB 3.91Å; P292-Q294 PolarHBondContact O-N 3.04Å; P292-L350 HydrophobicContact CB-CD1 3.51Å; P292-L353 WeakPolarHBondContact O-CD2 3.22Å; P292-R357 PolarHBondContact O-NH2 3Å
293	K	89.1	Confident	94	Very high	201 Å²	201	35.9 Å²	35.9	87%	0.874	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	9.1	-176.7	-60.3	-180	-178.1	175.3	0	115	R291 S295	R291-K293 PolarHBondContact O-N 3.28Å; R291-K293 VanDerWaalsContact O-N 3.12Å; K293-S295 PolarHBondContact O-N 3.49Å
294	Q	93.3	Very high	94	Very high	15 Å²	15	35.7 Å²	35.7	7%	0.07	20%	0.198	C	C	.	.			trans	-63.3	125.4	178.5	-171.9	63.7	19.4	0	0	111.1	Q233 R291 P292 N298 L299 R357	Q233-Q294 HydrophobicContact CB-CB 4.11Å; Q233-Q294 HydrophobicContact CB-CG 4.33Å; Q233-Q294 HydrophobicContact CG-CB 3.97Å; Q233-Q294 HydrophobicContact CG-CG 4.06Å; R291-Q294 HydrophobicContact CB-CB 4.19Å; R291-Q294 WeakPolarHBondContact O-CB 3.39Å; R291-Q294 PolarHBondContact O-N 2.85Å; R291-Q294 VanDerWaalsContact O-N 3.09Å; P292-Q294 PolarHBondContact O-N 3.04Å; Q294-N298 VanDerWaalsContact NE2-CG 3.32Å; Q294-N298 PolarHBondContact NE2-ND2 3.43Å; Q294-N298 PolarHBondContact NE2-O 3.49Å; Q294-L299 HydrophobicContact CG-CD2 4.43Å; Q294-R357 PolarHBondContact O-NH2 3Å
295	S	92.8	Very high	94	Very high	60 Å²	60	39.5 Å²	39.5	42%	0.42	22%	0.216	S	C	.	.			trans	-66	142.1	-179.4	174.8	0	0	0	0	112.3	K293 S297 N298 L299	K293-S295 PolarHBondContact O-N 3.49Å; S295-S297 PolarHBondContact O-N 3.15Å; S295-S297 VanDerWaalsContact O-N 3.15Å; S295-S297 PolarHBondContact OG-N 3.21Å; S295-S297 PolarHBondContact OG-OG 2.96Å; S295-N298 CarbonylContact O-C 3.52Å; S295-N298 PolarHBondContact O-N 3.27Å; S295-L299 PolarHBondContact O-N 2.96Å
296	S	92.7	Very high	94	Very high	23 Å²	23	41.4 Å²	41.4	16%	0.161	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-57.6	-25.2	172.8	-53.7	0	0	0	0	113.2	N298 E356	S296-N298 VanDerWaalsContact C-N 3.3Å; S296-N298 PolarHBondContact O-N 2.95Å; S296-E356 WeakPolarHBondContact CB-OE1 2.96Å; S296-E356 PolarHBondContact OG-OE1 3.07Å
297	S	94.5	Very high	94.2	Very high	113 Å²	113	41 Å²	41	79%	0.79	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-79.9	-7.4	175.7	62.4	0	0	0	0	114.7	S295	S295-S297 PolarHBondContact O-N 3.15Å; S295-S297 VanDerWaalsContact O-N 3.15Å; S295-S297 PolarHBondContact OG-N 3.21Å; S295-S297 PolarHBondContact OG-OG 2.96Å
298	N	96.8	Very high	94.5	Very high	41 Å²	41	41.3 Å²	41.3	22%	0.219	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-133.1	28	-174.2	-167.3	28.4	0	0	0	111.2	F245 T246 Q294 S295 S296	F245-N298 WeakPolarHBondContact CB-O 3.44Å; T246-N298 PolarHBondContact N-OD1 3.32Å; T246-N298 PolarHBondContact O-ND2 3.48Å; Q294-N298 VanDerWaalsContact NE2-CG 3.32Å; Q294-N298 PolarHBondContact NE2-ND2 3.43Å; Q294-N298 PolarHBondContact NE2-O 3.49Å; S295-N298 CarbonylContact O-C 3.52Å; S295-N298 PolarHBondContact O-N 3.27Å; S296-N298 VanDerWaalsContact C-N 3.3Å; S296-N298 PolarHBondContact O-N 2.95Å
299	L	97.5	Very high	94.6	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.047	24%	0.237	C	C	.	.			trans	-66.1	145.1	-179.7	-61.2	174.2	0	0	0	111.6	F230 Q233 Q294 S295 F301 R357 Y360	F230-L299 HydrophobicContact CE1-CD1 4.39Å; F230-L299 HydrophobicContact CE2-CB 4.29Å; F230-L299 HydrophobicContact CZ-CB 4.17Å; F230-L299 HydrophobicContact CZ-CD1 3.94Å; Q233-L299 HydrophobicContact CG-CD2 4.08Å; Q294-L299 HydrophobicContact CG-CD2 4.43Å; S295-L299 PolarHBondContact O-N 2.96Å; L299-F301 HydrophobicContact CB-CD2 4.16Å; L299-F301 HydrophobicContact CB-CE2 3.85Å; L299-F301 HydrophobicContact CD1-CE2 4.39Å; L299-F301 HydrophobicContact CD1-CZ 4.47Å; L299-F301 PolarHBondContact O-N 2.66Å; L299-R357 HydrophobicContact CD1-CG 4.31Å; L299-R357 HydrophobicContact CD2-CG 3.96Å; L299-Y360 HydrophobicContact CD1-CD2 3.69Å; L299-Y360 HydrophobicContact CD1-CE2 3.95Å; L299-Y360 HydrophobicContact CD1-CG 3.99Å
300	N	97.4	Very high	95.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.228	C	C	.	.			trans	-80.2	81.5	178.9	-168.9	-9.8	0	0	0	111.8	F230 D239 G244 F245 R302 L303	F230-N300 WeakPolarHBondContact CD2-O 3.42Å; D239-N300 PolarHBondContact OD2-ND2 3.32Å; G244-N300 VanDerWaalsContact CA-OD1 3.27Å; G244-N300 WeakPolarHBondContact CA-OD1 3.44Å; F245-N300 HydrophobicContact CB-CB 4.36Å; F245-N300 HydrophobicContact CD1-CB 3.89Å; F245-N300 WeakPolarHBondContact CD1-ND2 3.34Å; F245-N300 HydrophobicContact CG-CB 4.45Å; N300-R302 PolarHBondContact O-N 2.89Å; N300-R302 VanDerWaalsContact OD1-CB 3.23Å; N300-R302 WeakPolarHBondContact OD1-CB 3.47Å; N300-R302 PolarHBondContact OD1-N 3.43Å; N300-L303 HydrophobicContact CB-CD1 4.01Å; N300-L303 HydrophobicContact CB-CG 4.11Å; N300-L303 WeakPolarHBondContact O-CG 3.39Å; N300-L303 PolarHBondContact O-N 3.4Å
301	F	97.3	Very high	95.5	Very high	81 Å²	81	39.8 Å²	39.8	36%	0.355	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-70.4	-13.4	177.4	-79.9	-83.1	0	0	0	114.1	F230 L299 L303 L304 Y360	F230-F301 AromaticContact CE2-CD1 3.81Å; F230-F301 HydrophobicContact CE2-CD1 3.81Å; F230-F301 HydrophobicContact CE2-CD2 4.44Å; F230-F301 AromaticContact CE2-CE1 3.9Å; F230-F301 HydrophobicContact CE2-CE1 3.9Å; F230-F301 HydrophobicContact CE2-CG 4.1Å; F230-F301 HydrophobicContact CE2-CZ 4.26Å; F230-F301 HydrophobicContact CZ-CD1 4.12Å; F230-F301 AromaticContact CZ-CE1 3.71Å; F230-F301 HydrophobicContact CZ-CE1 3.71Å; F230-F301 HydrophobicContact CZ-CE2 4.38Å; F230-F301 AromaticContact CZ-CZ 3.85Å; F230-F301 HydrophobicContact CZ-CZ 3.85Å; L299-F301 HydrophobicContact CB-CD2 4.16Å; L299-F301 HydrophobicContact CB-CE2 3.85Å; L299-F301 HydrophobicContact CD1-CE2 4.39Å; L299-F301 HydrophobicContact CD1-CZ 4.47Å; L299-F301 PolarHBondContact O-N 2.66Å; F301-L303 PolarHBondContact O-N 3.48Å; F301-L304 HydrophobicContact CD1-CD1 4.04Å; F301-L304 HydrophobicContact CE1-CD1 4.41Å; F301-L304 PolarHBondContact O-N 2.78Å; F301-Y360 AromaticContact CZ-CD1 3.85Å; F301-Y360 HydrophobicContact CZ-CD1 3.85Å; F301-Y360 HydrophobicContact CZ-CG 4.18Å
302	R	96.8	Very high	95.7	Very high	32 Å²	32	40.4 Å²	40.4	12%	0.121	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-60.2	-30.2	174.4	-178.5	174	176.4	70.6	2.4	111.9	W192 D239 N300 L304 E305	W192-R302 VanDerWaalsContact CD1-NH2 3.29Å; W192-R302 VanDerWaalsContact CE2-CZ 3.48Å; W192-R302 VanDerWaalsContact CG-NH2 3.32Å; W192-R302 HydrophobicContact CH2-CG 3.76Å; W192-R302 WeakPolarHBondContact CH2-O 3.36Å; W192-R302 HydrophobicContact CZ2-CG 4.04Å; W192-R302 HydrophobicContact CZ3-CG 4.38Å; W192-R302 VanDerWaalsContact NE1-NH2 3.12Å; D239-R302 IonicContact OD1-NE 3.7Å; D239-R302 PolarHBondContact OD1-NE 2.84Å; N300-R302 PolarHBondContact O-N 2.89Å; N300-R302 VanDerWaalsContact OD1-CB 3.23Å; N300-R302 WeakPolarHBondContact OD1-CB 3.47Å; N300-R302 PolarHBondContact OD1-N 3.43Å; R302-L304 PolarHBondContact O-N 3.35Å; R302-L304 VanDerWaalsContact O-N 3.12Å; R302-E305 IonicContact NH1-OE1 3.09Å; R302-E305 IonicContact NH1-OE2 3.63Å; R302-E305 PolarHBondContact NH1-OE2 2.85Å; R302-E305 WeakPolarHBondContact O-CB 3.46Å; R302-E305 PolarHBondContact O-N 2.94Å
303	L	97.7	Very high	95.9	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-58	-25	175.8	-57.5	176.7	0	0	0	113	A226 D229 F230 L238 D239 N300 F301	A226-L303 WeakPolarHBondContact CB-O 3.31Å; D229-L303 HydrophobicContact CB-CD1 4.26Å; F230-L303 HydrophobicContact CB-CD1 4.47Å; L238-L303 HydrophobicContact CB-CD2 3.76Å; L238-L303 HydrophobicContact CD1-CD2 4.43Å; D239-L303 HydrophobicContact CB-CD2 4.14Å; N300-L303 HydrophobicContact CB-CD1 4.01Å; N300-L303 HydrophobicContact CB-CG 4.11Å; N300-L303 WeakPolarHBondContact O-CG 3.39Å; N300-L303 PolarHBondContact O-N 3.4Å; F301-L303 PolarHBondContact O-N 3.48Å
304	L	98.1	Very high	96.3	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-94.9	-2.9	-179.6	-49.1	-175	0	0	0	112.8	A226 F230 F301 R302 G306 I307 F310 H364	A226-L304 HydrophobicContact CB-CD2 4.36Å; F230-L304 HydrophobicContact CB-CD2 3.8Å; F230-L304 HydrophobicContact CD2-CD1 3.85Å; F230-L304 HydrophobicContact CD2-CD2 3.92Å; F230-L304 HydrophobicContact CD2-CG 3.76Å; F230-L304 HydrophobicContact CE2-CD1 3.9Å; F230-L304 HydrophobicContact CE2-CG 4.23Å; F230-L304 HydrophobicContact CG-CD1 4.28Å; F230-L304 HydrophobicContact CG-CD2 3.95Å; F230-L304 HydrophobicContact CG-CG 4.28Å; F230-L304 HydrophobicContact CZ-CD1 4.37Å; F301-L304 HydrophobicContact CD1-CD1 4.04Å; F301-L304 HydrophobicContact CE1-CD1 4.41Å; F301-L304 PolarHBondContact O-N 2.78Å; R302-L304 PolarHBondContact O-N 3.35Å; R302-L304 VanDerWaalsContact O-N 3.12Å; L304-G306 PolarHBondContact O-N 2.88Å; L304-I307 PolarHBondContact O-N 3.44Å; L304-F310 HydrophobicContact CD2-CZ 4.09Å; L304-H364 HydrophobicContact CD1-CB 4.32Å
305	E	97.2	Very high	96.5	Very high	86 Å²	86	34.4 Å²	34.4	40%	0.402	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	124	-177.2	-76.9	177.7	-150.3	0	0	111.8	W192 Q196 R302 I307	W192-E305 HydrophobicContact CH2-CB 4.12Å; W192-E305 HydrophobicContact CZ2-CB 3.96Å; W192-E305 WeakPolarHBondContact CZ2-OE2 3.3Å; Q196-E305 PolarHBondContact NE2-O 3.14Å; R302-E305 IonicContact NH1-OE1 3.09Å; R302-E305 IonicContact NH1-OE2 3.63Å; R302-E305 PolarHBondContact NH1-OE2 2.85Å; R302-E305 WeakPolarHBondContact O-CB 3.46Å; R302-E305 PolarHBondContact O-N 2.94Å; E305-I307 VanDerWaalsContact C-N 3.27Å; E305-I307 PolarHBondContact O-N 3.02Å
306	G	96.9	Very high	96.5	Very high	41 Å²	41	33.5 Å²	33.5	42%	0.423	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-5.6	178.6	0	0	0	0	0	114.6	L304 D308	L304-G306 PolarHBondContact O-N 2.88Å; G306-D308 PolarHBondContact O-N 3.35Å
307	I	98.1	Very high	96.6	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.062	18%	0.181	C	C	.	.			trans	-73.5	125.5	176.1	-57.5	-60.6	0	0	0	109.9	Y195 L199 W222 A226 L304 E305 E309 F310	Y195-I307 WeakPolarHBondContact OH-CD1 3.28Å; L199-I307 HydrophobicContact CD1-CD1 4.16Å; L199-I307 HydrophobicContact CD2-CD1 3.95Å; W222-I307 HydrophobicContact CB-CD1 4.24Å; A226-I307 HydrophobicContact CB-CD1 3.82Å; A226-I307 HydrophobicContact CB-CG1 3.64Å; L304-I307 PolarHBondContact O-N 3.44Å; E305-I307 VanDerWaalsContact C-N 3.27Å; E305-I307 PolarHBondContact O-N 3.02Å; I307-E309 WeakPolarHBondContact CG2-O 3.5Å; I307-F310 HydrophobicContact CB-CZ 4.39Å; I307-F310 HydrophobicContact CG2-CD1 4.25Å; I307-F310 HydrophobicContact CG2-CE1 3.71Å; I307-F310 HydrophobicContact CG2-CE2 4.14Å; I307-F310 HydrophobicContact CG2-CZ 3.63Å
308	D	97.1	Very high	96.6	Very high	44 Å²	44	27.6 Å²	27.6	24%	0.235	14%	0.144	C	C	.	.			trans	-122.7	-2.8	-178.3	67.7	-11.4	0	0	0	113.7	Q202 H219 G306 I370 H371	Q202-D308 PolarHBondContact NE2-OD2 3.03Å; H219-D308 IonicContact CD2-OD1 2.86Å; H219-D308 IonicContact CE1-OD1 3.63Å; H219-D308 PolarHBondContact CE1-OD1 2.83Å; H219-D308 IonicContact NE2-OD1 3.63Å; H219-D308 PolarHBondContact NE2-OD1 2.95Å; H219-D308 IonicContact NE2-OD2 3.79Å; G306-D308 PolarHBondContact O-N 3.35Å; D308-I370 WeakPolarHBondContact O-CG2 3.09Å; D308-H371 PolarHBondContact O-N 3.15Å
309	E	96.9	Very high	96.6	Very high	16 Å²	16	32.4 Å²	32.4	8%	0.075	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	145.4	169.8	67.8	-178	-155.7	0	0	113.5	H219 A220 G223 I307 H371 R373	H219-E309 IonicContact CD2-OE1 2.79Å; H219-E309 PolarHBondContact CD2-OE1 2.96Å; H219-E309 VanDerWaalsContact CD2-OE1 3.32Å; H219-E309 IonicContact CD2-OE2 3.5Å; H219-E309 IonicContact CG-OE1 3.34Å; A220-E309 WeakPolarHBondContact CA-OE1 3.43Å; A220-E309 WeakPolarHBondContact CB-OE1 3.23Å; A220-E309 PolarHBondContact N-OE1 2.79Å; A220-E309 VanDerWaalsContact N-OE1 3.15Å; G223-E309 VanDerWaalsContact CA-O 3.32Å; G223-E309 WeakPolarHBondContact CA-O 3.43Å; I307-E309 WeakPolarHBondContact CG2-O 3.5Å; E309-H371 CarbonylContact C-O 3.59Å; E309-H371 VanDerWaalsContact CA-O 3.23Å; E309-H371 WeakPolarHBondContact CA-O 3.36Å; E309-H371 HydrophobicContact CB-CB 4.25Å; E309-R373 WeakPolarHBondContact OE1-CD 3.47Å; E309-R373 IonicContact OE1-CZ 2.94Å; E309-R373 IonicContact OE1-NE 3.33Å; E309-R373 IonicContact OE1-NH1 3.98Å; E309-R373 PolarHBondContact OE1-NH1 3.04Å; E309-R373 IonicContact OE2-CZ 3.38Å; E309-R373 IonicContact OE2-NE 2.96Å; E309-R373 IonicContact OE2-NH1 3.06Å
310	F	98.1	Very high	96.3	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	153.6	170.9	-75.7	-61.3	0	0	0	111.9	G223 A226 L227 L304 I307 E312 V315 I361 I365 I370 H371 L372 R373	G223-F310 VanDerWaalsContact O-CD1 3.3Å; G223-F310 WeakPolarHBondContact O-CD1 3.26Å; G223-F310 WeakPolarHBondContact O-CE1 3.36Å; A226-F310 HydrophobicContact CB-CE1 4.46Å; L227-F310 HydrophobicContact CB-CD1 3.76Å; L227-F310 HydrophobicContact CB-CE1 3.82Å; L227-F310 HydrophobicContact CD1-CB 4.46Å; L227-F310 HydrophobicContact CD1-CD1 3.96Å; L227-F310 HydrophobicContact CD1-CG 4.35Å; L227-F310 HydrophobicContact CG-CD1 4.44Å; L304-F310 HydrophobicContact CD2-CZ 4.09Å; I307-F310 HydrophobicContact CB-CZ 4.39Å; I307-F310 HydrophobicContact CG2-CD1 4.25Å; I307-F310 HydrophobicContact CG2-CE1 3.71Å; I307-F310 HydrophobicContact CG2-CE2 4.14Å; I307-F310 HydrophobicContact CG2-CZ 3.63Å; F310-E312 PolarHBondContact O-N 2.85Å; F310-V315 HydrophobicContact CB-CG2 3.87Å; F310-I361 HydrophobicContact CD2-CG2 4.46Å; F310-I361 HydrophobicContact CE2-CG2 4.21Å; F310-I361 HydrophobicContact CZ-CG2 4.44Å; F310-I365 HydrophobicContact CD2-CD1 3.68Å; F310-I365 HydrophobicContact CD2-CG1 3.53Å; F310-I365 HydrophobicContact CE2-CD1 4.33Å; F310-I365 HydrophobicContact CE2-CG1 3.88Å; F310-I365 HydrophobicContact CG-CD1 4.41Å; F310-I370 HydrophobicContact CD2-CD1 4.39Å; F310-I370 HydrophobicContact CD2-CG2 3.55Å; F310-I370 HydrophobicContact CE2-CD1 3.78Å; F310-I370 HydrophobicContact CE2-CG2 3.98Å; F310-I370 HydrophobicContact CG-CG2 4.42Å; F310-H371 PolarHBondContact N-O 2.9Å; F310-L372 HydrophobicContact CB-CD2 4.33Å; F310-L372 WeakPolarHBondContact O-CA 3.49Å; F310-R373 PolarHBondContact O-N 3.1Å
311	P	97	Very high	95.9	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.019	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	123.1	176.2	27.3	-35.8	0	0	0	111.3	L140 R224 L227 K313 A314 V315	L140-P311 HydrophobicContact CD2-CB 4.42Å; L140-P311 HydrophobicContact CD2-CG 3.76Å; R224-P311 HydrophobicContact CG-CB 4.14Å; R224-P311 HydrophobicContact CG-CG 3.93Å; L227-P311 HydrophobicContact CD1-CG 4.23Å; P311-K313 VanDerWaalsContact C-N 3.3Å; P311-K313 PolarHBondContact O-N 2.92Å; P311-A314 HydrophobicContact CB-CB 4.4Å; P311-A314 HydrophobicContact CG-CB 3.84Å; P311-A314 PolarHBondContact O-N 3.42Å; P311-V315 WeakPolarHBondContact O-CG2 3.39Å; P311-V315 PolarHBondContact O-N 2.99Å; P311-V315 VanDerWaalsContact O-N 3.13Å
312	E	95.9	Very high	95.6	Very high	39 Å²	39	32.6 Å²	32.6	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-38.6	-175.4	-177.6	169.7	-120	0	0	111.9	F310 V315 S316 L372 R373 R374	F310-E312 PolarHBondContact O-N 2.85Å; E312-V315 PolarHBondContact O-N 3.01Å; E312-S316 WeakPolarHBondContact O-CB 3.09Å; E312-S316 PolarHBondContact O-N 3.22Å; E312-S316 PolarHBondContact O-OG 3.25Å; E312-L372 HydrophobicContact CB-CB 4.16Å; E312-L372 HydrophobicContact CG-CB 4.36Å; E312-R373 WeakPolarHBondContact CB-O 3.22Å; E312-R373 PolarHBondContact N-O 3.09Å; E312-R374 WeakPolarHBondContact OE2-CG 3.5Å; E312-R374 IonicContact OE2-CZ 2.9Å; E312-R374 IonicContact OE2-NE 2.68Å; E312-R374 PolarHBondContact OE2-NE 3.25Å; E312-R374 IonicContact OE2-NH2 2.79Å
313	K	93.6	Very high	95.4	Very high	117 Å²	117	31 Å²	31	51%	0.509	17%	0.173	S	C	.	.	H	α-helix	trans	-62.1	-49.9	-179.7	-174.4	175.3	176.7	179.6	0	112	P311 V315 S316 V317 D375	P311-K313 VanDerWaalsContact C-N 3.3Å; P311-K313 PolarHBondContact O-N 2.92Å; K313-V315 VanDerWaalsContact C-N 3.34Å; K313-V315 PolarHBondContact O-N 3.15Å; K313-S316 WeakPolarHBondContact O-CB 3.48Å; K313-S316 PolarHBondContact O-N 3.22Å; K313-S316 VanDerWaalsContact O-N 3.16Å; K313-V317 PolarHBondContact O-N 3.45Å; K313-V317 VanDerWaalsContact O-N 3.09Å; K313-D375 VanDerWaalsContact CB-OD2 3.28Å; K313-D375 WeakPolarHBondContact CB-OD2 3.46Å
314	A	96.3	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.8	-43.8	177.9	0	0	0	0	0	111.3	L138 L140 L227 P311 S316 V317 L318	L138-A314 HydrophobicContact CB-CB 3.95Å; L138-A314 HydrophobicContact CD2-CB 4.16Å; L138-A314 WeakPolarHBondContact O-CA 3.36Å; L138-A314 WeakPolarHBondContact O-CB 3.23Å; L138-A314 PolarHBondContact O-N 2.85Å; L140-A314 HydrophobicContact CD2-CB 4.09Å; L227-A314 HydrophobicContact CD1-CB 4.09Å; L227-A314 HydrophobicContact CD2-CB 4.2Å; P311-A314 HydrophobicContact CB-CB 4.4Å; P311-A314 HydrophobicContact CG-CB 3.84Å; P311-A314 PolarHBondContact O-N 3.42Å; A314-S316 VanDerWaalsContact C-N 3.25Å; A314-S316 PolarHBondContact O-N 3.43Å; A314-V317 PolarHBondContact O-N 3.45Å; A314-L318 WeakPolarHBondContact O-CG 3.37Å; A314-L318 PolarHBondContact O-N 3.35Å
315	V	97.3	Very high	94.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-34.5	177.1	172.4	0	0	0	0	111.4	L227 F310 P311 E312 K313 L318 R319 L362 I365 L372	L227-V315 HydrophobicContact CD1-CG2 4.24Å; F310-V315 HydrophobicContact CB-CG2 3.87Å; P311-V315 WeakPolarHBondContact O-CG2 3.39Å; P311-V315 PolarHBondContact O-N 2.99Å; P311-V315 VanDerWaalsContact O-N 3.13Å; E312-V315 PolarHBondContact O-N 3.01Å; K313-V315 VanDerWaalsContact C-N 3.34Å; K313-V315 PolarHBondContact O-N 3.15Å; V315-L318 PolarHBondContact O-N 2.76Å; V315-R319 HydrophobicContact CG1-CG 4.31Å; V315-R319 WeakPolarHBondContact O-CB 3.37Å; V315-R319 VanDerWaalsContact O-CG 3.31Å; V315-R319 WeakPolarHBondContact O-CG 3.45Å; V315-R319 PolarHBondContact O-N 2.87Å; V315-L362 HydrophobicContact CG1-CD2 3.88Å; V315-I365 HydrophobicContact CG1-CD1 4.07Å; V315-I365 HydrophobicContact CG2-CD1 3.73Å; V315-L372 HydrophobicContact CB-CD2 4.11Å; V315-L372 HydrophobicContact CG1-CD1 4.02Å; V315-L372 HydrophobicContact CG1-CD2 3.94Å; V315-L372 HydrophobicContact CG2-CD2 3.85Å
316	S	94.4	Very high	94.6	Very high	40 Å²	40	29.4 Å²	29.4	28%	0.28	17%	0.165	S	C	.	.	H	α-helix	trans	-67.3	-40.2	177.2	-58.9	0	0	0	0	111.9	E312 K313 A314 R319 S320	E312-S316 WeakPolarHBondContact O-CB 3.09Å; E312-S316 PolarHBondContact O-N 3.22Å; E312-S316 PolarHBondContact O-OG 3.25Å; K313-S316 WeakPolarHBondContact O-CB 3.48Å; K313-S316 PolarHBondContact O-N 3.22Å; K313-S316 VanDerWaalsContact O-N 3.16Å; A314-S316 VanDerWaalsContact C-N 3.25Å; A314-S316 PolarHBondContact O-N 3.43Å; S316-R319 PolarHBondContact O-N 2.71Å; S316-S320 WeakPolarHBondContact O-CB 3.43Å; S316-S320 PolarHBondContact O-N 2.95Å
317	V	93.8	Very high	94.6	Very high	9 Å²	9	27.4 Å²	27.4	6%	0.055	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-43.5	171.8	173.4	0	0	0	0	111.4	V137 L138 K313 A314 S320 L323 L326	V137-V317 HydrophobicContact CG1-CG1 4.44Å; L138-V317 HydrophobicContact CD2-CB 4.37Å; L138-V317 HydrophobicContact CD2-CG1 4.22Å; K313-V317 PolarHBondContact O-N 3.45Å; K313-V317 VanDerWaalsContact O-N 3.09Å; A314-V317 PolarHBondContact O-N 3.45Å; V317-S320 PolarHBondContact O-N 3.49Å; V317-S320 PolarHBondContact O-OG 2.89Å; V317-L323 HydrophobicContact CG1-CB 4.4Å; V317-L323 HydrophobicContact CG1-CD1 4.1Å; V317-L326 HydrophobicContact CG1-CD1 3.98Å
318	L	95.6	Very high	94.5	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-65.1	-40.7	176.9	-64.2	-179.9	0	0	0	111.9	L138 L231 A314 V315 S320 G321 L323 L362	L138-L318 HydrophobicContact CD2-CD2 4.3Å; L138-L318 HydrophobicContact CD2-CG 4.48Å; L231-L318 HydrophobicContact CD1-CD2 4.43Å; A314-L318 WeakPolarHBondContact O-CG 3.37Å; A314-L318 PolarHBondContact O-N 3.35Å; V315-L318 PolarHBondContact O-N 2.76Å; L318-S320 VanDerWaalsContact C-N 3.33Å; L318-G321 PolarHBondContact O-N 3.2Å; L318-L323 HydrophobicContact CD2-CD2 3.88Å; L318-L362 HydrophobicContact CB-CD1 4.32Å; L318-L362 HydrophobicContact CB-CD2 4.2Å; L318-L362 HydrophobicContact CB-CG 4.36Å
319	R	95.1	Very high	94.3	Very high	142 Å²	142	27.1 Å²	27.1	54%	0.536	14%	0.14	S	C	.	.	H	α-helix	trans	-69	-30.1	178.7	-77.6	178.5	176.2	163.9	0.2	113.2	V315 S316 G321 L362 L372	V315-R319 HydrophobicContact CG1-CG 4.31Å; V315-R319 WeakPolarHBondContact O-CB 3.37Å; V315-R319 VanDerWaalsContact O-CG 3.31Å; V315-R319 WeakPolarHBondContact O-CG 3.45Å; V315-R319 PolarHBondContact O-N 2.87Å; S316-R319 PolarHBondContact O-N 2.71Å; R319-G321 PolarHBondContact O-N 3.26Å; R319-L362 HydrophobicContact CG-CD1 4.01Å; R319-L362 HydrophobicContact CG-CD2 3.56Å; R319-L362 HydrophobicContact CG-CG 4.43Å; R319-L372 VanDerWaalsContact NH1-CD1 3.34Å
320	S	91.6	Very high	94.2	Very high	46 Å²	46	26.3 Å²	26.3	32%	0.322	14%	0.136	S	C	.	.	H	α-helix	trans	-72.7	-20.2	-179	71.8	0	0	0	0	112.5	S316 V317 L318 C322	S316-S320 WeakPolarHBondContact O-CB 3.43Å; S316-S320 PolarHBondContact O-N 2.95Å; V317-S320 PolarHBondContact O-N 3.49Å; V317-S320 PolarHBondContact O-OG 2.89Å; L318-S320 VanDerWaalsContact C-N 3.33Å; S320-C322 VanDerWaalsContact C-N 3.32Å; S320-C322 VanDerWaalsContact CB-SG 3.56Å; S320-C322 PolarHBondContact O-SG 3.06Å; S320-C322 WeakPolarHBondContact OG-CB 3.45Å; S320-C322 PolarHBondContact OG-SG 3.25Å
321	G	89.8	Confident	94.1	Very high	44 Å²	44	26.2 Å²	26.2	45%	0.454	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	28.4	-175.9	0	0	0	0	0	112.9	L318 R319	L318-G321 PolarHBondContact O-N 3.2Å; R319-G321 PolarHBondContact O-N 3.26Å
322	C	90.2	Very high	94	Very high	4 Å²	4	27 Å²	27	3%	0.027	14%	0.138	C	C	.	.			trans	-113.5	9.3	-174.3	-45.2	0	0	0	0	112.7	C35 S320 E324 H325 L326 E355	C35-C322 HydrophobicContact CB-CB 3.92Å; C35-C322 WeakPolarHBondContact CB-SG 3.45Å; C35-C322 WeakPolarHBondContact SG-CB 3.4Å; C35-C322 CovalentContact SG-SG 1.98Å; C35-C322 PolarHBondContact SG-SG 2.97Å; S320-C322 VanDerWaalsContact C-N 3.32Å; S320-C322 VanDerWaalsContact CB-SG 3.56Å; S320-C322 PolarHBondContact O-SG 3.06Å; S320-C322 WeakPolarHBondContact OG-CB 3.45Å; S320-C322 PolarHBondContact OG-SG 3.25Å; C322-E324 VanDerWaalsContact C-N 3.29Å; C322-E324 PolarHBondContact O-N 3.07Å; C322-H325 PolarHBondContact O-N 3.16Å; C322-L326 HydrophobicContact CB-CD1 4.22Å; C322-L326 HydrophobicContact CB-CG 4.45Å; C322-L326 VanDerWaalsContact O-CG 3.24Å; C322-L326 WeakPolarHBondContact O-CG 3.46Å; C322-L326 PolarHBondContact O-N 3.34Å; C322-E355 PolarHBondContact N-OE1 3.44Å
323	L	93.7	Very high	94	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.8	-40.4	-178.9	-177.7	65.6	0	0	0	110.3	L134 V137 L138 V317 L318 H325 L326 L327 V354 E355	L134-L323 HydrophobicContact CD1-CD1 3.78Å; L134-L323 HydrophobicContact CD1-CD2 4.2Å; L134-L323 HydrophobicContact CD1-CG 4.49Å; V137-L323 HydrophobicContact CG1-CD1 3.78Å; L138-L323 HydrophobicContact CD2-CD1 4.1Å; V317-L323 HydrophobicContact CG1-CB 4.4Å; V317-L323 HydrophobicContact CG1-CD1 4.1Å; L318-L323 HydrophobicContact CD2-CD2 3.88Å; L323-H325 VanDerWaalsContact C-N 3.27Å; L323-H325 PolarHBondContact O-N 3.33Å; L323-L326 PolarHBondContact O-N 3.1Å; L323-L327 HydrophobicContact CD1-CB 4.46Å; L323-L327 WeakPolarHBondContact O-CB 3.46Å; L323-L327 PolarHBondContact O-N 3.23Å; L323-V354 HydrophobicContact CD2-CG1 4.11Å; L323-E355 HydrophobicContact CB-CB 4.31Å; L323-E355 HydrophobicContact CB-CG 4.1Å; L323-E355 WeakPolarHBondContact CB-OE1 3.37Å; L323-E355 HydrophobicContact CD2-CB 4.15Å; L323-E355 PolarHBondContact N-OE1 3.48Å
324	E	93.6	Very high	94.2	Very high	33 Å²	33	19.9 Å²	19.9	15%	0.154	11%	0.107	C	C	.	.	H	α-helix	trans	-48.5	-53.6	174.2	-176.2	-179.6	148	0	0	111.3	C322 L328 R348 V351 R352 E355	C322-E324 VanDerWaalsContact C-N 3.29Å; C322-E324 PolarHBondContact O-N 3.07Å; E324-L328 HydrophobicContact CG-CD1 3.89Å; E324-L328 WeakPolarHBondContact O-CB 3.28Å; E324-L328 WeakPolarHBondContact O-CD1 3.03Å; E324-L328 WeakPolarHBondContact O-CG 3.4Å; E324-L328 PolarHBondContact O-N 3.42Å; E324-L328 VanDerWaalsContact O-N 3.1Å; E324-R348 HydrophobicContact CG-CG 4.41Å; E324-R348 WeakPolarHBondContact OE1-CG 3.46Å; E324-R348 IonicContact OE1-CZ 3.58Å; E324-R348 IonicContact OE1-NE 2.75Å; E324-R348 PolarHBondContact OE1-NE 2.96Å; E324-R348 IonicContact OE1-NH2 3.52Å; E324-V351 HydrophobicContact CB-CG1 4.36Å; E324-R352 HydrophobicContact CG-CG 4.44Å; E324-R352 IonicContact OE1-CZ 3.85Å; E324-R352 IonicContact OE1-NE 3.46Å; E324-R352 PolarHBondContact OE1-NE 3.3Å; E324-R352 IonicContact OE1-NH2 3.4Å; E324-R352 PolarHBondContact OE1-NH2 3.47Å; E324-R352 WeakPolarHBondContact OE2-CG 3.11Å; E324-R352 IonicContact OE2-CZ 3.4Å; E324-R352 IonicContact OE2-NE 2.71Å; E324-R352 PolarHBondContact OE2-NE 2.8Å; E324-R352 IonicContact OE2-NH2 3.14Å; E324-R352 PolarHBondContact OE2-NH2 3.41Å; E324-R352 VanDerWaalsContact OE2-NH2 3.14Å; E324-E355 PolarHBondContact N-OE1 2.85Å
325	H	90.3	Very high	94.2	Very high	13 Å²	13	21.6 Å²	21.6	6%	0.06	12%	0.115	C	C	.	.	H	α-helix	trans	-66.4	-52.2	-174.9	-179.1	104.1	0	0	0	113	W34 Q36 L38 C322 L323 L327 R329	W34-H325 PolarHBondContact O-CD2 2.98Å; W34-H325 PolarHBondContact O-CE1 3.45Å; W34-H325 PolarHBondContact O-NE2 2.87Å; Q36-H325 PolarHBondContact O-CE1 2.72Å; Q36-H325 PolarHBondContact O-ND1 2.91Å; L38-H325 HydrophobicContact CD1-CB 4.11Å; L38-H325 WeakPolarHBondContact CD1-CE1 3.47Å; L38-H325 VanDerWaalsContact CD1-CG 3.4Å; L38-H325 WeakPolarHBondContact CD1-ND1 3.24Å; L38-H325 WeakPolarHBondContact CG-CE1 3.39Å; L38-H325 WeakPolarHBondContact CG-ND1 3.47Å; C322-H325 PolarHBondContact O-N 3.16Å; L323-H325 VanDerWaalsContact C-N 3.27Å; L323-H325 PolarHBondContact O-N 3.33Å; H325-L327 VanDerWaalsContact C-N 3.35Å; H325-L327 PolarHBondContact O-N 3.45Å; H325-R329 VanDerWaalsContact CE1-CZ 3.46Å; H325-R329 PolarHBondContact CE1-NH2 2.93Å; H325-R329 PolarHBondContact NE2-NE 3.04Å; H325-R329 PolarHBondContact NE2-NH1 3.38Å; H325-R329 PolarHBondContact NE2-NH2 2.8Å; H325-R329 PolarHBondContact O-N 3.03Å
326	L	92.5	Very high	94.2	Very high	8 Å²	8	23.9 Å²	23.9	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-65.6	-41.6	-175.2	-62.5	169.1	0	0	0	110.7	W34 W62 V137 V317 C322 L323 S330	W34-L326 HydrophobicContact CB-CD2 4.3Å; W34-L326 HydrophobicContact CE3-CD2 3.96Å; W62-L326 HydrophobicContact CE3-CD2 4.47Å; W62-L326 HydrophobicContact CH2-CB 4.32Å; W62-L326 HydrophobicContact CH2-CD2 3.96Å; W62-L326 WeakPolarHBondContact CZ2-O 3.14Å; W62-L326 HydrophobicContact CZ3-CB 4.36Å; W62-L326 HydrophobicContact CZ3-CD2 3.52Å; V137-L326 HydrophobicContact CG1-CB 3.56Å; V137-L326 HydrophobicContact CG1-CD1 4.29Å; V137-L326 HydrophobicContact CG2-CB 4.34Å; V317-L326 HydrophobicContact CG1-CD1 3.98Å; C322-L326 HydrophobicContact CB-CD1 4.22Å; C322-L326 HydrophobicContact CB-CG 4.45Å; C322-L326 VanDerWaalsContact O-CG 3.24Å; C322-L326 WeakPolarHBondContact O-CG 3.46Å; C322-L326 PolarHBondContact O-N 3.34Å; L323-L326 PolarHBondContact O-N 3.1Å; L326-S330 WeakPolarHBondContact O-CB 3.42Å; L326-S330 PolarHBondContact O-N 2.93Å
327	L	95.7	Very high	94.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.9	-40.8	-179.1	-171.5	54.4	0	0	0	112.2	F130 H133 L134 V137 L323 H325 R329 S330 L331 V351	F130-L327 HydrophobicContact CE1-CD2 3.81Å; F130-L327 HydrophobicContact CE2-CD2 3.88Å; F130-L327 HydrophobicContact CZ-CD2 3.35Å; F130-L327 HydrophobicContact CZ-CG 4.43Å; H133-L327 HydrophobicContact CB-CD1 3.81Å; L134-L327 HydrophobicContact CB-CD1 4.24Å; L134-L327 HydrophobicContact CB-CD2 4.32Å; L134-L327 HydrophobicContact CD1-CD2 3.92Å; V137-L327 HydrophobicContact CG2-CD1 4.3Å; L323-L327 HydrophobicContact CD1-CB 4.46Å; L323-L327 WeakPolarHBondContact O-CB 3.46Å; L323-L327 PolarHBondContact O-N 3.23Å; H325-L327 VanDerWaalsContact C-N 3.35Å; H325-L327 PolarHBondContact O-N 3.45Å; L327-R329 VanDerWaalsContact C-N 3.33Å; L327-R329 PolarHBondContact O-N 3.13Å; L327-S330 WeakPolarHBondContact O-CB 3.39Å; L327-S330 PolarHBondContact O-N 1.98Å; L327-S330 VanDerWaalsContact O-N 3.14Å; L327-L331 HydrophobicContact CD1-CD1 4.41Å; L327-L331 HydrophobicContact CD1-CD2 4.43Å; L327-L331 HydrophobicContact CD1-CG 4.11Å; L327-L331 HydrophobicContact CG-CD1 3.97Å; L327-L331 HydrophobicContact CG-CG 4.19Å; L327-L331 VanDerWaalsContact O-CG 3.24Å; L327-L331 WeakPolarHBondContact O-CG 3.25Å; L327-L331 PolarHBondContact O-N 3.35Å; L327-V351 HydrophobicContact CB-CG1 3.98Å; L327-V351 HydrophobicContact CD2-CG1 3.92Å; L327-V351 HydrophobicContact CD2-CG2 4.2Å; L327-V351 HydrophobicContact CG-CG1 4.32Å; L327-V351 HydrophobicContact CG-CG2 4.36Å
328	L	95.3	Very high	94.6	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-60.9	-41.8	176	-74.9	169.1	0	0	0	112.1	F43 E324 S330 L331 Y332 W338 Y344 L347 R348 V351	F43-L328 HydrophobicContact CE1-CB 4.43Å; F43-L328 HydrophobicContact CZ-CB 3.92Å; E324-L328 HydrophobicContact CG-CD1 3.89Å; E324-L328 WeakPolarHBondContact O-CB 3.28Å; E324-L328 WeakPolarHBondContact O-CD1 3.03Å; E324-L328 WeakPolarHBondContact O-CG 3.4Å; E324-L328 PolarHBondContact O-N 3.42Å; E324-L328 VanDerWaalsContact O-N 3.1Å; L328-S330 VanDerWaalsContact C-N 3.33Å; L328-S330 PolarHBondContact O-N 3.41Å; L328-L331 PolarHBondContact O-N 3.41Å; L328-Y332 WeakPolarHBondContact O-CB 3.33Å; L328-Y332 PolarHBondContact O-N 3.26Å; L328-W338 HydrophobicContact CD2-CH2 4.28Å; L328-W338 HydrophobicContact CD2-CZ3 4.12Å; L328-W338 WeakPolarHBondContact O-CZ3 3.32Å; L328-Y344 HydrophobicContact CD1-CD2 3.91Å; L328-Y344 HydrophobicContact CD1-CE2 3.71Å; L328-L347 HydrophobicContact CD2-CB 3.91Å; L328-R348 HydrophobicContact CD1-CB 4.17Å; L328-R348 HydrophobicContact CD1-CG 4.22Å; L328-V351 HydrophobicContact CD2-CG2 3.97Å; L328-V351 HydrophobicContact CG-CG2 4.16Å
329	R	93.3	Very high	94.6	Very high	48 Å²	48	26.5 Å²	26.5	18%	0.181	13%	0.132	C	C	.	.	H	α-helix	trans	-62.6	-40.3	173.6	-73.2	-177.5	171.6	-173.8	-0.4	112.4	L38 F43 L57 L60 W62 H325 L327	L38-R329 HydrophobicContact CD1-CG 3.96Å; F43-R329 HydrophobicContact CE1-CG 4.44Å; L57-R329 HydrophobicContact CD2-CB 4.13Å; L60-R329 HydrophobicContact CD1-CB 3.96Å; L60-R329 HydrophobicContact CD1-CG 4.38Å; W62-R329 HydrophobicContact CH2-CB 4.08Å; W62-R329 HydrophobicContact CZ2-CB 3.97Å; H325-R329 VanDerWaalsContact CE1-CZ 3.46Å; H325-R329 PolarHBondContact CE1-NH2 2.93Å; H325-R329 PolarHBondContact NE2-NE 3.04Å; H325-R329 PolarHBondContact NE2-NH1 3.38Å; H325-R329 PolarHBondContact NE2-NH2 2.8Å; H325-R329 PolarHBondContact O-N 3.03Å; L327-R329 VanDerWaalsContact C-N 3.33Å; L327-R329 PolarHBondContact O-N 3.13Å
330	S	95.6	Very high	94.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-48.5	176.6	-164	0	0	0	0	111.2	W62 H133 L326 L327 L328 Y332 V333	W62-S330 VanDerWaalsContact NE1-CB 3.33Å; W62-S330 PolarHBondContact NE1-OG 3.05Å; H133-S330 PolarHBondContact CE1-O 2.92Å; H133-S330 VanDerWaalsContact ND1-C 3.3Å; H133-S330 PolarHBondContact ND1-O 2.87Å; H133-S330 PolarHBondContact ND1-OG 3.07Å; L326-S330 WeakPolarHBondContact O-CB 3.42Å; L326-S330 PolarHBondContact O-N 2.93Å; L327-S330 WeakPolarHBondContact O-CB 3.39Å; L327-S330 PolarHBondContact O-N 1.98Å; L327-S330 VanDerWaalsContact O-N 3.14Å; L328-S330 VanDerWaalsContact C-N 3.33Å; L328-S330 PolarHBondContact O-N 3.41Å; S330-Y332 VanDerWaalsContact C-N 3.29Å; S330-Y332 PolarHBondContact O-N 3.24Å; S330-V333 WeakPolarHBondContact O-CB 3.37Å; S330-V333 VanDerWaalsContact O-CG2 3.32Å; S330-V333 WeakPolarHBondContact O-CG2 3.3Å; S330-V333 PolarHBondContact O-N 3.34Å; S330-V333 VanDerWaalsContact O-N 3.15Å
331	L	96.6	Very high	94.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.5	-33.4	-179.6	-66.2	168.9	0	0	0	112.8	F130 H133 L327 L328 V333 D334 F337 W338 L347 V351	F130-L331 HydrophobicContact CB-CD2 4.44Å; F130-L331 HydrophobicContact CD2-CD1 3.82Å; F130-L331 HydrophobicContact CD2-CD2 3.99Å; F130-L331 HydrophobicContact CE2-CD1 3.83Å; F130-L331 HydrophobicContact CG-CD2 4.43Å; H133-L331 HydrophobicContact CB-CD2 3.69Å; H133-L331 HydrophobicContact CB-CG 4.31Å; L327-L331 HydrophobicContact CD1-CD1 4.41Å; L327-L331 HydrophobicContact CD1-CD2 4.43Å; L327-L331 HydrophobicContact CD1-CG 4.11Å; L327-L331 HydrophobicContact CG-CD1 3.97Å; L327-L331 HydrophobicContact CG-CG 4.19Å; L327-L331 VanDerWaalsContact O-CG 3.24Å; L327-L331 WeakPolarHBondContact O-CG 3.25Å; L327-L331 PolarHBondContact O-N 3.35Å; L328-L331 PolarHBondContact O-N 3.41Å; L331-V333 PolarHBondContact O-N 3.03Å; L331-D334 PolarHBondContact O-N 3.41Å; L331-F337 HydrophobicContact CB-CD1 4.38Å; L331-F337 HydrophobicContact CB-CE1 4.18Å; L331-F337 HydrophobicContact CD1-CE1 4.35Å; L331-F337 HydrophobicContact CD2-CD1 4.25Å; L331-F337 HydrophobicContact CD2-CE1 3.63Å; L331-F337 HydrophobicContact CD2-CZ 3.99Å; L331-F337 HydrophobicContact CG-CE1 4.25Å; L331-W338 HydrophobicContact CB-CE3 4.3Å; L331-W338 HydrophobicContact CB-CZ3 4.43Å; L331-L347 HydrophobicContact CD1-CD1 4.43Å; L331-V351 HydrophobicContact CD1-CG2 4.09Å
332	Y	95.1	Very high	95	Very high	18 Å²	18	23.3 Å²	23.3	7%	0.071	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-21.7	177.9	170.9	-96.5	0	0	0	113.4	F43 S44 R52 L57 L328 S330 D334 W338	F43-Y332 HydrophobicContact CB-CD2 4Å; F43-Y332 HydrophobicContact CB-CE2 3.98Å; F43-Y332 HydrophobicContact CD1-CD1 4.26Å; F43-Y332 AromaticContact CD1-CD2 3.68Å; F43-Y332 HydrophobicContact CD1-CD2 3.68Å; F43-Y332 HydrophobicContact CD1-CE2 4.36Å; F43-Y332 AromaticContact CD1-CG 3.64Å; F43-Y332 HydrophobicContact CD1-CG 3.64Å; F43-Y332 HydrophobicContact CE1-CG 4.3Å; F43-Y332 HydrophobicContact CG-CD2 4.28Å; S44-Y332 PolarHBondContact O-OH 3.06Å; R52-Y332 HydrophobicContact CB-CE1 4.36Å; R52-Y332 VanDerWaalsContact CD-CZ 3.43Å; R52-Y332 WeakPolarHBondContact CD-O 3.24Å; R52-Y332 WeakPolarHBondContact CD-OH 2.98Å; R52-Y332 VanDerWaalsContact NH1-CD2 3.32Å; R52-Y332 PolarHBondContact NH1-O 3.15Å; L57-Y332 HydrophobicContact CD1-CD1 3.74Å; L57-Y332 HydrophobicContact CD1-CE1 3.82Å; L328-Y332 WeakPolarHBondContact O-CB 3.33Å; L328-Y332 PolarHBondContact O-N 3.26Å; S330-Y332 VanDerWaalsContact C-N 3.29Å; S330-Y332 PolarHBondContact O-N 3.24Å; Y332-D334 VanDerWaalsContact C-N 3.29Å; Y332-D334 PolarHBondContact O-N 2.84Å; Y332-W338 VanDerWaalsContact CA-CE3 3.49Å; Y332-W338 AromaticContact CD2-CD2 3.84Å; Y332-W338 HydrophobicContact CD2-CD2 3.84Å; Y332-W338 AromaticContact CD2-CE2 3.68Å; Y332-W338 HydrophobicContact CD2-CE3 4.41Å; Y332-W338 HydrophobicContact CD2-CG 4.05Å; Y332-W338 HydrophobicContact CD2-CZ2 4.09Å; Y332-W338 AromaticContact CD2-NE1 3.8Å; Y332-W338 HydrophobicContact CG-CD2 4.42Å
333	V	95.5	Very high	95.3	Very high	6 Å²	6	23.6 Å²	23.6	4%	0.036	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-40.2	174.9	173.4	0	0	0	0	111.3	I51 R52 L57 L63 M71 S330 L331 K335	I51-V333 CarbonylContact C-O 3.55Å; I51-V333 WeakPolarHBondContact CA-O 3.35Å; I51-V333 HydrophobicContact CG2-CG1 3.66Å; R52-V333 PolarHBondContact N-O 2.88Å; L57-V333 HydrophobicContact CD1-CG2 4.24Å; L63-V333 HydrophobicContact CD1-CB 4.37Å; L63-V333 HydrophobicContact CD1-CG1 3.94Å; L63-V333 HydrophobicContact CD1-CG2 4.11Å; M71-V333 HydrophobicContact CE-CG1 4.03Å; S330-V333 WeakPolarHBondContact O-CB 3.37Å; S330-V333 VanDerWaalsContact O-CG2 3.32Å; S330-V333 WeakPolarHBondContact O-CG2 3.3Å; S330-V333 PolarHBondContact O-N 3.34Å; S330-V333 VanDerWaalsContact O-N 3.15Å; L331-V333 PolarHBondContact O-N 3.03Å; V333-K335 PolarHBondContact O-N 3.02Å
334	D	97.4	Very high	95.3	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.011	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-85.2	102.6	173.7	-178.4	-18.1	0	0	0	109.4	M71 V147 L148 L331 Y332 E336 F337 W338	M71-D334 HydrophobicContact CE-CB 4.36Å; V147-D334 WeakPolarHBondContact CA-OD2 3.49Å; V147-D334 VanDerWaalsContact CB-OD2 3.28Å; V147-D334 WeakPolarHBondContact CB-OD2 3.41Å; L148-D334 PolarHBondContact N-OD2 3.48Å; L331-D334 PolarHBondContact O-N 3.41Å; Y332-D334 VanDerWaalsContact C-N 3.29Å; Y332-D334 PolarHBondContact O-N 2.84Å; D334-E336 PolarHBondContact O-N 3.48Å; D334-E336 PolarHBondContact OD1-N 2.93Å; D334-E336 VanDerWaalsContact OD1-N 3.09Å; D334-F337 HydrophobicContact CB-CB 3.78Å; D334-F337 PolarHBondContact O-N 3.27Å; D334-F337 PolarHBondContact OD1-N 2.92Å; D334-F337 WeakPolarHBondContact OD2-CB 3.41Å; D334-W338 VanDerWaalsContact O-CB 3.3Å; D334-W338 WeakPolarHBondContact O-CB 3.2Å; D334-W338 PolarHBondContact O-N 3.44Å
335	K	96.7	Very high	95.3	Very high	35 Å²	35	27 Å²	27	15%	0.152	14%	0.144	C	C	.	.	H	α-helix	trans	-58.6	-46.8	-177.7	171.8	170.8	-174.7	-158.8	0	112.3	Q48 R49 K50 R52 V333 W338 E339	Q48-K335 PolarHBondContact O-NZ 3.2Å; R49-K335 WeakPolarHBondContact O-CB 3.24Å; R49-K335 VanDerWaalsContact O-CD 3.27Å; R49-K335 WeakPolarHBondContact O-CD 3.3Å; K50-K335 VanDerWaalsContact O-CB 3.3Å; K50-K335 WeakPolarHBondContact O-CB 3.49Å; K50-K335 PolarHBondContact O-N 3.14Å; K50-K335 VanDerWaalsContact O-N 3.07Å; R52-K335 HydrophobicContact CG-CB 4.47Å; V333-K335 PolarHBondContact O-N 3.02Å; K335-W338 PolarHBondContact O-N 3.25Å; K335-E339 WeakPolarHBondContact CE-OE1 3.08Å; K335-E339 WeakPolarHBondContact CE-OE2 3.45Å; K335-E339 HydrophobicContact CG-CG 4.37Å; K335-E339 WeakPolarHBondContact CG-OE1 3.38Å; K335-E339 WeakPolarHBondContact O-CB 3.18Å; K335-E339 WeakPolarHBondContact O-CG 3.22Å; K335-E339 PolarHBondContact O-N 3.41Å
336	E	97.6	Very high	95.5	Very high	49 Å²	49	29 Å²	29	23%	0.229	16%	0.163	C	C	.	.	H	α-helix	trans	-72.3	-37.7	-173.7	176.6	154.8	-165.2	0	0	111.1	L148 R149 T150 P165 D334 S340	L148-E336 HydrophobicContact CB-CG 4.41Å; L148-E336 WeakPolarHBondContact O-CB 3.36Å; R149-E336 VanDerWaalsContact CA-OE2 3.3Å; R149-E336 WeakPolarHBondContact CA-OE2 3.29Å; T150-E336 WeakPolarHBondContact CA-OE1 3.4Å; T150-E336 WeakPolarHBondContact CB-OE1 3.32Å; T150-E336 PolarHBondContact N-OE1 3.43Å; T150-E336 PolarHBondContact N-OE2 3.32Å; T150-E336 VanDerWaalsContact N-OE2 3.11Å; T150-E336 PolarHBondContact OG1-OE1 3.03Å; P165-E336 HydrophobicContact CB-CG 4.36Å; D334-E336 PolarHBondContact O-N 3.48Å; D334-E336 PolarHBondContact OD1-N 2.93Å; D334-E336 VanDerWaalsContact OD1-N 3.09Å; E336-S340 WeakPolarHBondContact O-CB 3.15Å; E336-S340 PolarHBondContact O-N 3.47Å; E336-S340 PolarHBondContact O-OG 3.11Å
337	F	97.9	Very high	95.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-52.9	169	-179.3	-86.6	0	0	0	111.2	W126 V129 F130 L148 L331 D334 E339 S340 R341 L347	W126-F337 AromaticContact CE3-CE2 3.77Å; W126-F337 HydrophobicContact CE3-CE2 3.77Å; W126-F337 HydrophobicContact CE3-CZ 4.06Å; W126-F337 HydrophobicContact CZ3-CE2 4.27Å; W126-F337 HydrophobicContact CZ3-CZ 4.08Å; V129-F337 HydrophobicContact CB-CD2 3.63Å; V129-F337 HydrophobicContact CB-CE2 3.81Å; V129-F337 HydrophobicContact CG1-CB 4.22Å; V129-F337 HydrophobicContact CG1-CD2 3.49Å; V129-F337 VanDerWaalsContact CG1-CD2 3.49Å; V129-F337 HydrophobicContact CG1-CE2 4.01Å; V129-F337 HydrophobicContact CG1-CG 3.94Å; V129-F337 HydrophobicContact CG2-CD2 4.32Å; F130-F337 HydrophobicContact CB-CE2 4.49Å; F130-F337 HydrophobicContact CB-CZ 4.16Å; F130-F337 HydrophobicContact CD2-CZ 4.47Å; L148-F337 HydrophobicContact CB-CB 3.88Å; L148-F337 HydrophobicContact CB-CD2 4.32Å; L148-F337 HydrophobicContact CD2-CD2 4.46Å; L331-F337 HydrophobicContact CB-CD1 4.38Å; L331-F337 HydrophobicContact CB-CE1 4.18Å; L331-F337 HydrophobicContact CD1-CE1 4.35Å; L331-F337 HydrophobicContact CD2-CD1 4.25Å; L331-F337 HydrophobicContact CD2-CE1 3.63Å; L331-F337 HydrophobicContact CD2-CZ 3.99Å; L331-F337 HydrophobicContact CG-CE1 4.25Å; D334-F337 HydrophobicContact CB-CB 3.78Å; D334-F337 PolarHBondContact O-N 3.27Å; D334-F337 PolarHBondContact OD1-N 2.92Å; D334-F337 WeakPolarHBondContact OD2-CB 3.41Å; F337-E339 PolarHBondContact O-N 3.45Å; F337-S340 PolarHBondContact O-OG 2.95Å; F337-R341 HydrophobicContact CD2-CG 4.26Å; F337-R341 HydrophobicContact CE1-CG 4.36Å; F337-R341 HydrophobicContact CE2-CG 4.16Å; F337-R341 HydrophobicContact CG-CG 4.44Å; F337-R341 HydrophobicContact CZ-CG 4.19Å; F337-R341 VanDerWaalsContact O-CB 3.26Å; F337-R341 WeakPolarHBondContact O-CB 3.21Å; F337-R341 WeakPolarHBondContact O-CG 3.31Å; F337-R341 PolarHBondContact O-N 3.47Å; F337-R341 VanDerWaalsContact O-N 3.07Å; F337-L347 HydrophobicContact CD1-CD1 4.35Å; F337-L347 HydrophobicContact CE1-CD1 3.86Å; F337-L347 HydrophobicContact CE1-CD2 3.75Å; F337-L347 HydrophobicContact CE1-CG 4.49Å; F337-L347 HydrophobicContact CZ-CD2 4.08Å
338	W	97	Very high	95.7	Very high	12 Å²	12	32.5 Å²	32.5	5%	0.045	18%	0.176	C	C	.	.	H	α-helix	trans	-57.5	-53.1	-176.6	-176.7	-95.5	0	0	0	112.1	F43 L328 L331 Y332 D334 K335 R341 G342 G343 L347	F43-W338 HydrophobicContact CB-CZ2 3.92Å; F43-W338 AromaticContact CD1-CH2 3.67Å; F43-W338 HydrophobicContact CD1-CH2 3.67Å; F43-W338 AromaticContact CD1-CZ2 3.7Å; F43-W338 HydrophobicContact CD1-CZ2 3.7Å; F43-W338 HydrophobicContact CD2-CH2 4.16Å; F43-W338 HydrophobicContact CD2-CZ2 4.02Å; F43-W338 AromaticContact CE1-CH2 3.65Å; F43-W338 HydrophobicContact CE1-CH2 3.65Å; F43-W338 HydrophobicContact CE1-CZ2 4.17Å; F43-W338 HydrophobicContact CE1-CZ3 4.34Å; F43-W338 HydrophobicContact CE2-CH2 4.18Å; F43-W338 HydrophobicContact CE2-CZ2 4.49Å; F43-W338 AromaticContact CG-CH2 3.91Å; F43-W338 HydrophobicContact CG-CH2 3.91Å; F43-W338 AromaticContact CG-CZ2 3.59Å; F43-W338 HydrophobicContact CG-CZ2 3.59Å; F43-W338 AromaticContact CZ-CH2 3.91Å; F43-W338 HydrophobicContact CZ-CH2 3.91Å; L328-W338 HydrophobicContact CD2-CH2 4.28Å; L328-W338 HydrophobicContact CD2-CZ3 4.12Å; L328-W338 WeakPolarHBondContact O-CZ3 3.32Å; L331-W338 HydrophobicContact CB-CE3 4.3Å; L331-W338 HydrophobicContact CB-CZ3 4.43Å; Y332-W338 VanDerWaalsContact CA-CE3 3.49Å; Y332-W338 AromaticContact CD2-CD2 3.84Å; Y332-W338 HydrophobicContact CD2-CD2 3.84Å; Y332-W338 AromaticContact CD2-CE2 3.68Å; Y332-W338 HydrophobicContact CD2-CE3 4.41Å; Y332-W338 HydrophobicContact CD2-CG 4.05Å; Y332-W338 HydrophobicContact CD2-CZ2 4.09Å; Y332-W338 AromaticContact CD2-NE1 3.8Å; Y332-W338 HydrophobicContact CG-CD2 4.42Å; D334-W338 VanDerWaalsContact O-CB 3.3Å; D334-W338 WeakPolarHBondContact O-CB 3.2Å; D334-W338 PolarHBondContact O-N 3.44Å; K335-W338 PolarHBondContact O-N 3.25Å; W338-R341 PolarHBondContact O-N 3.09Å; W338-G342 PolarHBondContact O-N 2.92Å; W338-G343 VanDerWaalsContact O-CA 3.31Å; W338-G343 WeakPolarHBondContact O-CA 3.42Å; W338-G343 PolarHBondContact O-N 3.1Å; W338-L347 HydrophobicContact CD2-CD1 4.27Å; W338-L347 HydrophobicContact CE3-CD1 3.54Å; W338-L347 HydrophobicContact CZ3-CD1 3.84Å
339	E	95.8	Very high	95.7	Very high	96 Å²	96	36.1 Å²	36.1	45%	0.449	20%	0.199	S	C	.	.	H	α-helix	trans	-66.5	-46.6	-176.1	-70.2	173.9	179.8	0	0	111.5	R52 K335 F337 R341 G342	R52-E339 IonicContact NH2-OE1 2.62Å; R52-E339 PolarHBondContact NH2-OE1 3.22Å; R52-E339 VanDerWaalsContact NH2-OE1 3.11Å; K335-E339 WeakPolarHBondContact CE-OE1 3.08Å; K335-E339 WeakPolarHBondContact CE-OE2 3.45Å; K335-E339 HydrophobicContact CG-CG 4.37Å; K335-E339 WeakPolarHBondContact CG-OE1 3.38Å; K335-E339 WeakPolarHBondContact O-CB 3.18Å; K335-E339 WeakPolarHBondContact O-CG 3.22Å; K335-E339 PolarHBondContact O-N 3.41Å; F337-E339 PolarHBondContact O-N 3.45Å; E339-R341 VanDerWaalsContact C-N 3.26Å; E339-R341 PolarHBondContact O-N 3.43Å; E339-G342 PolarHBondContact O-N 3.36Å
340	S	96.2	Very high	95.8	Very high	39 Å²	39	35.1 Å²	35.1	27%	0.273	20%	0.197	S	C	.	.	H	α-helix	trans	-72	-19.4	-176.3	70.9	0	0	0	0	113.8	L148 E336 F337	L148-S340 WeakPolarHBondContact CD2-OG 3.29Å; E336-S340 WeakPolarHBondContact O-CB 3.15Å; E336-S340 PolarHBondContact O-N 3.47Å; E336-S340 PolarHBondContact O-OG 3.11Å; F337-S340 PolarHBondContact O-OG 2.95Å
341	R	95.6	Very high	95.8	Very high	81 Å²	81	35.1 Å²	35.1	31%	0.306	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	11.3	178.5	-59.9	-59.3	81.3	172.6	-0.7	113	W126 F337 W338 E339 A346 L347	W126-R341 HydrophobicContact CE3-CG 4.38Å; F337-R341 HydrophobicContact CD2-CG 4.26Å; F337-R341 HydrophobicContact CE1-CG 4.36Å; F337-R341 HydrophobicContact CE2-CG 4.16Å; F337-R341 HydrophobicContact CG-CG 4.44Å; F337-R341 HydrophobicContact CZ-CG 4.19Å; F337-R341 VanDerWaalsContact O-CB 3.26Å; F337-R341 WeakPolarHBondContact O-CB 3.21Å; F337-R341 WeakPolarHBondContact O-CG 3.31Å; F337-R341 PolarHBondContact O-N 3.47Å; F337-R341 VanDerWaalsContact O-N 3.07Å; W338-R341 PolarHBondContact O-N 3.09Å; E339-R341 VanDerWaalsContact C-N 3.26Å; E339-R341 PolarHBondContact O-N 3.43Å; R341-A346 WeakPolarHBondContact O-CB 3.26Å; R341-L347 HydrophobicContact CB-CD2 3.93Å; R341-L347 HydrophobicContact CB-CG 4.35Å
342	G	94.4	Very high	95.8	Very high	45 Å²	45	40.4 Å²	40.4	46%	0.464	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	20.4	173.7	0	0	0	0	0	114.4	W338 E339 A346	W338-G342 PolarHBondContact O-N 2.92Å; E339-G342 PolarHBondContact O-N 3.36Å; G342-A346 PolarHBondContact O-N 3.06Å
343	G	95	Very high	95.8	Very high	9 Å²	9	41.5 Å²	41.5	9%	0.093	22%	0.224	C	C	.	.	H	α-helix	trans	55.5	-148.8	172.9	0	0	0	0	0	114.1	W338 T345 A346 L347	W338-G343 VanDerWaalsContact O-CA 3.31Å; W338-G343 WeakPolarHBondContact O-CA 3.42Å; W338-G343 PolarHBondContact O-N 3.1Å; G343-T345 VanDerWaalsContact C-N 3.34Å; G343-T345 PolarHBondContact O-N 3.35Å; G343-A346 PolarHBondContact O-N 3.07Å; G343-L347 VanDerWaalsContact O-CB 3.27Å; G343-L347 WeakPolarHBondContact O-CB 3.37Å; G343-L347 VanDerWaalsContact O-CG 3.31Å; G343-L347 WeakPolarHBondContact O-CG 3.4Å; G343-L347 PolarHBondContact O-N 3.5Å
344	Y	94.5	Very high	95.8	Very high	16 Å²	16	41.2 Å²	41.2	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-53.3	-49.2	-176.6	178.2	-100.4	0	0	0	112.5	L38 E40 F43 L328 A346 L347 R348	L38-Y344 PolarHBondContact O-OH 2.5Å; E40-Y344 HydrophobicContact CB-CD1 3.58Å; E40-Y344 HydrophobicContact CB-CE1 4.03Å; E40-Y344 HydrophobicContact CB-CG 4.16Å; E40-Y344 HydrophobicContact CG-CD1 4.04Å; E40-Y344 HydrophobicContact CG-CG 4.39Å; F43-Y344 AromaticContact CD2-CD2 3.92Å; F43-Y344 HydrophobicContact CD2-CD2 3.92Å; F43-Y344 HydrophobicContact CD2-CG 4.32Å; F43-Y344 AromaticContact CE2-CD2 3.3Å; F43-Y344 HydrophobicContact CE2-CD2 3.3Å; F43-Y344 AromaticContact CE2-CE2 3.81Å; F43-Y344 HydrophobicContact CE2-CE2 3.81Å; F43-Y344 HydrophobicContact CE2-CG 4.14Å; F43-Y344 HydrophobicContact CZ-CD2 4.06Å; L328-Y344 HydrophobicContact CD1-CD2 3.91Å; L328-Y344 HydrophobicContact CD1-CE2 3.71Å; Y344-A346 VanDerWaalsContact C-N 3.34Å; Y344-A346 PolarHBondContact O-N 3.3Å; Y344-L347 PolarHBondContact O-N 3.27Å; Y344-R348 WeakPolarHBondContact O-CB 3.47Å; Y344-R348 PolarHBondContact O-N 2.96Å; Y344-R348 WeakPolarHBondContact OH-CD 3.27Å; Y344-R348 PolarHBondContact OH-NE 2.69Å
345	T	93.9	Very high	95.8	Very high	90 Å²	90	42.2 Å²	42.2	55%	0.552	23%	0.227	S	C	*	.	H	α-helix	trans	-60.6	-40.6	-173.7	-70.5	0	0	0	0	112.8	E40 G343 P349	E40-T345 PolarHBondContact OE1-OG1 3.34Å; G343-T345 VanDerWaalsContact C-N 3.34Å; G343-T345 PolarHBondContact O-N 3.35Å; T345-P349 VanDerWaalsContact O-CD 3.27Å; T345-P349 WeakPolarHBondContact O-CD 3.32Å
346	A	94.5	Very high	95.7	Very high	54 Å²	54	44.4 Å²	44.4	45%	0.446	24%	0.238	S	C	.	.	H	α-helix	trans	-87.3	-32.3	-179.5	0	0	0	0	0	113.6	R341 G342 G343 Y344	R341-A346 WeakPolarHBondContact O-CB 3.26Å; G342-A346 PolarHBondContact O-N 3.06Å; G343-A346 PolarHBondContact O-N 3.07Å; Y344-A346 VanDerWaalsContact C-N 3.34Å; Y344-A346 PolarHBondContact O-N 3.3Å
347	L	96.4	Very high	95.7	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-79.9	-33.3	-178.8	-69.1	171.1	0	0	0	112.9	L328 L331 F337 W338 R341 G343 Y344 L350 V351	L328-L347 HydrophobicContact CD2-CB 3.91Å; L331-L347 HydrophobicContact CD1-CD1 4.43Å; F337-L347 HydrophobicContact CD1-CD1 4.35Å; F337-L347 HydrophobicContact CE1-CD1 3.86Å; F337-L347 HydrophobicContact CE1-CD2 3.75Å; F337-L347 HydrophobicContact CE1-CG 4.49Å; F337-L347 HydrophobicContact CZ-CD2 4.08Å; W338-L347 HydrophobicContact CD2-CD1 4.27Å; W338-L347 HydrophobicContact CE3-CD1 3.54Å; W338-L347 HydrophobicContact CZ3-CD1 3.84Å; R341-L347 HydrophobicContact CB-CD2 3.93Å; R341-L347 HydrophobicContact CB-CG 4.35Å; G343-L347 VanDerWaalsContact O-CB 3.27Å; G343-L347 WeakPolarHBondContact O-CB 3.37Å; G343-L347 VanDerWaalsContact O-CG 3.31Å; G343-L347 WeakPolarHBondContact O-CG 3.4Å; G343-L347 PolarHBondContact O-N 3.5Å; Y344-L347 PolarHBondContact O-N 3.27Å; L347-L350 WeakPolarHBondContact O-CB 3.32Å; L347-L350 PolarHBondContact O-N 3.1Å; L347-L350 VanDerWaalsContact O-N 3.1Å; L347-V351 VanDerWaalsContact O-CG2 3.32Å; L347-V351 WeakPolarHBondContact O-CG2 3.26Å; L347-V351 PolarHBondContact O-N 3.44Å
348	R	95.6	Very high	95.7	Very high	78 Å²	78	42.2 Å²	42.2	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-57.3	-47.5	-176.6	-179.3	-166	-169.4	-164.4	13.9	113.7	E324 L328 Y344 L350 V351 R352	E324-R348 HydrophobicContact CG-CG 4.41Å; E324-R348 WeakPolarHBondContact OE1-CG 3.46Å; E324-R348 IonicContact OE1-CZ 3.58Å; E324-R348 IonicContact OE1-NE 2.75Å; E324-R348 PolarHBondContact OE1-NE 2.96Å; E324-R348 IonicContact OE1-NH2 3.52Å; L328-R348 HydrophobicContact CD1-CB 4.17Å; L328-R348 HydrophobicContact CD1-CG 4.22Å; Y344-R348 WeakPolarHBondContact O-CB 3.47Å; Y344-R348 PolarHBondContact O-N 2.96Å; Y344-R348 WeakPolarHBondContact OH-CD 3.27Å; Y344-R348 PolarHBondContact OH-NE 2.69Å; R348-L350 PolarHBondContact O-N 2.97Å; R348-V351 PolarHBondContact O-N 3.07Å; R348-R352 WeakPolarHBondContact O-CG 3.49Å; R348-R352 PolarHBondContact O-N 3.32Å
349	P	95.4	Very high	95.7	Very high	77 Å²	77	46.7 Å²	46.7	50%	0.5	25%	0.249	S	C	.	.	H	α-helix	trans	-60.2	-35.3	176.6	-23.5	34.5	0	0	0	113.1	T345 L353	T345-P349 VanDerWaalsContact O-CD 3.27Å; T345-P349 WeakPolarHBondContact O-CD 3.32Å; P349-L353 PolarHBondContact O-N 3.25Å; P349-L353 VanDerWaalsContact O-N 3.1Å
350	L	95	Very high	95.8	Very high	27 Å²	27	45.4 Å²	45.4	14%	0.141	24%	0.241	C	C	.	.	H	α-helix	trans	-68.4	-44.2	177.9	177.3	62.3	0	0	0	111.7	W126 F127 F130 P292 L347 R348 R352 L353 V354	W126-L350 HydrophobicContact CH2-CD2 3.58Å; W126-L350 HydrophobicContact CZ3-CD2 4.02Å; F127-L350 HydrophobicContact CD2-CD2 4.4Å; F127-L350 HydrophobicContact CE2-CD1 4.15Å; F127-L350 HydrophobicContact CE2-CD2 3.87Å; F127-L350 HydrophobicContact CE2-CG 4.25Å; F130-L350 HydrophobicContact CD2-CD2 4.22Å; F130-L350 HydrophobicContact CE2-CD2 4.1Å; F130-L350 HydrophobicContact CE2-CG 4.17Å; F130-L350 HydrophobicContact CZ-CG 4.5Å; P292-L350 HydrophobicContact CB-CD1 3.51Å; L347-L350 WeakPolarHBondContact O-CB 3.32Å; L347-L350 PolarHBondContact O-N 3.1Å; L347-L350 VanDerWaalsContact O-N 3.1Å; R348-L350 PolarHBondContact O-N 2.97Å; L350-R352 VanDerWaalsContact C-N 3.32Å; L350-R352 PolarHBondContact O-N 3.37Å; L350-L353 WeakPolarHBondContact O-CB 3.26Å; L350-L353 PolarHBondContact O-N 3.1Å; L350-V354 PolarHBondContact O-N 2.67Å
351	V	96.3	Very high	95.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-42	176.8	-179	0	0	0	0	110.5	F130 E324 L327 L328 L331 L347 R348 L353 V354 E355	F130-V351 HydrophobicContact CE2-CG2 3.86Å; F130-V351 HydrophobicContact CZ-CG2 4.24Å; E324-V351 HydrophobicContact CB-CG1 4.36Å; L327-V351 HydrophobicContact CB-CG1 3.98Å; L327-V351 HydrophobicContact CD2-CG1 3.92Å; L327-V351 HydrophobicContact CD2-CG2 4.2Å; L327-V351 HydrophobicContact CG-CG1 4.32Å; L327-V351 HydrophobicContact CG-CG2 4.36Å; L328-V351 HydrophobicContact CD2-CG2 3.97Å; L328-V351 HydrophobicContact CG-CG2 4.16Å; L331-V351 HydrophobicContact CD1-CG2 4.09Å; L347-V351 VanDerWaalsContact O-CG2 3.32Å; L347-V351 WeakPolarHBondContact O-CG2 3.26Å; L347-V351 PolarHBondContact O-N 3.44Å; R348-V351 PolarHBondContact O-N 3.07Å; V351-L353 VanDerWaalsContact C-N 3.29Å; V351-L353 PolarHBondContact O-N 3.15Å; V351-V354 WeakPolarHBondContact O-CB 2.98Å; V351-V354 PolarHBondContact O-N 3.09Å; V351-E355 PolarHBondContact O-N 3.4Å
352	R	95	Very high	96	Very high	111 Å²	111	41.3 Å²	41.3	42%	0.419	22%	0.222	S	C	.	.	H	α-helix	trans	-57.5	-40.9	174.5	-77.4	175.1	173.9	-152.9	-21.6	113	E324 R348 L350 V354 E355 E356	E324-R352 HydrophobicContact CG-CG 4.44Å; E324-R352 IonicContact OE1-CZ 3.85Å; E324-R352 IonicContact OE1-NE 3.46Å; E324-R352 PolarHBondContact OE1-NE 3.3Å; E324-R352 IonicContact OE1-NH2 3.4Å; E324-R352 PolarHBondContact OE1-NH2 3.47Å; E324-R352 WeakPolarHBondContact OE2-CG 3.11Å; E324-R352 IonicContact OE2-CZ 3.4Å; E324-R352 IonicContact OE2-NE 2.71Å; E324-R352 PolarHBondContact OE2-NE 2.8Å; E324-R352 IonicContact OE2-NH2 3.14Å; E324-R352 PolarHBondContact OE2-NH2 3.41Å; E324-R352 VanDerWaalsContact OE2-NH2 3.14Å; R348-R352 WeakPolarHBondContact O-CG 3.49Å; R348-R352 PolarHBondContact O-N 3.32Å; L350-R352 VanDerWaalsContact C-N 3.32Å; L350-R352 PolarHBondContact O-N 3.37Å; R352-V354 VanDerWaalsContact C-N 3.29Å; R352-V354 PolarHBondContact O-N 3.12Å; R352-E355 PolarHBondContact O-N 3.41Å; R352-E356 WeakPolarHBondContact O-CB 3.27Å; R352-E356 PolarHBondContact O-N 3.26Å
353	L	95.6	Very high	96.1	Very high	42 Å²	42	43.5 Å²	43.5	22%	0.22	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-38.2	176.2	-177.5	65.5	0	0	0	111.5	P292 P349 L350 V351 E356 R357	P292-L353 WeakPolarHBondContact O-CD2 3.22Å; P349-L353 PolarHBondContact O-N 3.25Å; P349-L353 VanDerWaalsContact O-N 3.1Å; L350-L353 WeakPolarHBondContact O-CB 3.26Å; L350-L353 PolarHBondContact O-N 3.1Å; V351-L353 VanDerWaalsContact C-N 3.29Å; V351-L353 PolarHBondContact O-N 3.15Å; L353-E356 PolarHBondContact O-N 3.48Å; L353-R357 WeakPolarHBondContact O-CG 3.42Å; L353-R357 PolarHBondContact O-N 3.46Å
354	V	96.8	Very high	96.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-41.1	174.7	177	0	0	0	0	111.2	F130 L134 L231 L323 L350 V351 R352 R357 G358	F130-V354 HydrophobicContact CE1-CG2 3.91Å; F130-V354 HydrophobicContact CZ-CG2 3.9Å; L134-V354 HydrophobicContact CD1-CG1 4.33Å; L134-V354 HydrophobicContact CD2-CG1 4.05Å; L231-V354 HydrophobicContact CB-CG1 4.07Å; L231-V354 HydrophobicContact CD2-CG1 4.41Å; L323-V354 HydrophobicContact CD2-CG1 4.11Å; L350-V354 PolarHBondContact O-N 2.67Å; V351-V354 WeakPolarHBondContact O-CB 2.98Å; V351-V354 PolarHBondContact O-N 3.09Å; R352-V354 VanDerWaalsContact C-N 3.29Å; R352-V354 PolarHBondContact O-N 3.12Å; V354-R357 WeakPolarHBondContact O-CB 3.13Å; V354-R357 PolarHBondContact O-N 2.92Å; V354-G358 PolarHBondContact O-N 3.28Å
355	E	95.6	Very high	96.4	Very high	22 Å²	22	44.4 Å²	44.4	10%	0.103	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-39.1	174.3	-172.3	167.4	-123.6	0	0	112.2	C322 L323 E324 V351 R352 R357 G358 H359	C322-E355 PolarHBondContact N-OE1 3.44Å; L323-E355 HydrophobicContact CB-CB 4.31Å; L323-E355 HydrophobicContact CB-CG 4.1Å; L323-E355 WeakPolarHBondContact CB-OE1 3.37Å; L323-E355 HydrophobicContact CD2-CB 4.15Å; L323-E355 PolarHBondContact N-OE1 3.48Å; E324-E355 PolarHBondContact N-OE1 2.85Å; V351-E355 PolarHBondContact O-N 3.4Å; R352-E355 PolarHBondContact O-N 3.41Å; E355-R357 PolarHBondContact O-N 2.7Å; E355-G358 WeakPolarHBondContact O-CA 2.85Å; E355-G358 PolarHBondContact O-N 3.11Å; E355-H359 PolarHBondContact O-N 2.95Å; E355-H359 PolarHBondContact O-ND1 3.14Å
356	E	95.6	Very high	96.6	Very high	82 Å²	82	48.7 Å²	48.7	38%	0.383	23%	0.228	S	C	.	.	H	α-helix	trans	-59.2	-44.6	172.1	-170.6	-169.2	145	0	0	111.1	S296 R352 L353 G358 H359 Y360	S296-E356 WeakPolarHBondContact CB-OE1 2.96Å; S296-E356 PolarHBondContact OG-OE1 3.07Å; R352-E356 WeakPolarHBondContact O-CB 3.27Å; R352-E356 PolarHBondContact O-N 3.26Å; L353-E356 PolarHBondContact O-N 3.48Å; E356-G358 PolarHBondContact O-N 3.17Å; E356-H359 VanDerWaalsContact O-CB 3.28Å; E356-H359 WeakPolarHBondContact O-CB 3.49Å; E356-H359 PolarHBondContact O-N 3.47Å; E356-Y360 HydrophobicContact CG-CE2 4.5Å; E356-Y360 WeakPolarHBondContact O-CD2 3.41Å
357	R	97.4	Very high	96.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-35.6	172.4	-69.4	170.2	-172.9	168.1	5.2	111.9	F230 L231 R291 P292 Q294 L299 L353 V354 E355 H359 Y360 I361	F230-R357 HydrophobicContact CE1-CB 4.39Å; L231-R357 HydrophobicContact CD2-CB 4.15Å; L231-R357 WeakPolarHBondContact O-CD 3.23Å; L231-R357 PolarHBondContact O-NH1 3.35Å; R291-R357 PolarHBondContact O-NH2 2.86Å; P292-R357 PolarHBondContact O-NH2 3Å; Q294-R357 PolarHBondContact O-NH2 3Å; L299-R357 HydrophobicContact CD1-CG 4.31Å; L299-R357 HydrophobicContact CD2-CG 3.96Å; L353-R357 WeakPolarHBondContact O-CG 3.42Å; L353-R357 PolarHBondContact O-N 3.46Å; V354-R357 WeakPolarHBondContact O-CB 3.13Å; V354-R357 PolarHBondContact O-N 2.92Å; E355-R357 PolarHBondContact O-N 2.7Å; R357-H359 PolarHBondContact O-N 3.08Å; R357-Y360 WeakPolarHBondContact O-CB 3.48Å; R357-Y360 PolarHBondContact O-N 3.2Å; R357-Y360 VanDerWaalsContact O-N 3.1Å; R357-I361 PolarHBondContact O-N 3.18Å
358	G	97.4	Very high	96.7	Very high	2 Å²	2	57.8 Å²	57.8	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-54.9	-37.2	171.7	0	0	0	0	0	113.4	V354 E355 E356 Y360 I361 L362	V354-G358 PolarHBondContact O-N 3.28Å; E355-G358 WeakPolarHBondContact O-CA 2.85Å; E355-G358 PolarHBondContact O-N 3.11Å; E356-G358 PolarHBondContact O-N 3.17Å; G358-Y360 VanDerWaalsContact C-N 3.3Å; G358-Y360 PolarHBondContact O-N 2.52Å; G358-I361 WeakPolarHBondContact O-CB 3.41Å; G358-I361 PolarHBondContact O-N 2.98Å; G358-I361 VanDerWaalsContact O-N 3.12Å; G358-L362 WeakPolarHBondContact O-CG 3.38Å; G358-L362 PolarHBondContact O-N 2.9Å
359	H	97.1	Very high	96.8	Very high	106 Å²	106	64.4 Å²	64.4	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-63.9	-34.8	177.5	-66	75.1	0	0	0	112.5	E355 E356 R357 L362 Q363	E355-H359 PolarHBondContact O-N 2.95Å; E355-H359 PolarHBondContact O-ND1 3.14Å; E356-H359 VanDerWaalsContact O-CB 3.28Å; E356-H359 WeakPolarHBondContact O-CB 3.49Å; E356-H359 PolarHBondContact O-N 3.47Å; R357-H359 PolarHBondContact O-N 3.08Å; H359-L362 PolarHBondContact O-N 3.46Å; H359-Q363 WeakPolarHBondContact O-CB 3.34Å; H359-Q363 PolarHBondContact O-N 2.75Å
360	Y	98	Very high	96.8	Very high	70 Å²	70	61.5 Å²	61.5	28%	0.275	27%	0.267	S	S	.	.	H	α-helix	trans	-67.1	-36.7	174.1	-69.5	-83	0	0	0	112.1	L299 F301 E356 R357 G358 Q363 H364	L299-Y360 HydrophobicContact CD1-CD2 3.69Å; L299-Y360 HydrophobicContact CD1-CE2 3.95Å; L299-Y360 HydrophobicContact CD1-CG 3.99Å; F301-Y360 AromaticContact CZ-CD1 3.85Å; F301-Y360 HydrophobicContact CZ-CD1 3.85Å; F301-Y360 HydrophobicContact CZ-CG 4.18Å; E356-Y360 HydrophobicContact CG-CE2 4.5Å; E356-Y360 WeakPolarHBondContact O-CD2 3.41Å; R357-Y360 WeakPolarHBondContact O-CB 3.48Å; R357-Y360 PolarHBondContact O-N 3.2Å; R357-Y360 VanDerWaalsContact O-N 3.1Å; G358-Y360 VanDerWaalsContact C-N 3.3Å; G358-Y360 PolarHBondContact O-N 2.52Å; Y360-Q363 PolarHBondContact O-N 2.84Å; Y360-H364 VanDerWaalsContact O-CB 3.28Å; Y360-H364 WeakPolarHBondContact O-CB 3.36Å; Y360-H364 PolarHBondContact O-N 3.29Å
361	I	97.8	Very high	96.9	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-46.6	171.3	-61.4	-177.1	0	0	0	110.1	L227 F230 L231 F310 R357 G358 Q363 H364 I365	L227-I361 HydrophobicContact CG-CD1 3.96Å; F230-I361 HydrophobicContact CB-CD1 4.35Å; F230-I361 HydrophobicContact CD1-CD1 3.68Å; F230-I361 HydrophobicContact CD1-CG1 3.47Å; F230-I361 VanDerWaalsContact CD1-CG1 3.47Å; F230-I361 HydrophobicContact CE1-CD1 4.43Å; F230-I361 HydrophobicContact CE1-CG1 3.77Å; F230-I361 HydrophobicContact CG-CD1 4.35Å; F230-I361 HydrophobicContact CG-CG1 4.28Å; L231-I361 HydrophobicContact CD2-CD1 3.82Å; L231-I361 HydrophobicContact CG-CD1 3.85Å; F310-I361 HydrophobicContact CD2-CG2 4.46Å; F310-I361 HydrophobicContact CE2-CG2 4.21Å; F310-I361 HydrophobicContact CZ-CG2 4.44Å; R357-I361 PolarHBondContact O-N 3.18Å; G358-I361 WeakPolarHBondContact O-CB 3.41Å; G358-I361 PolarHBondContact O-N 2.98Å; G358-I361 VanDerWaalsContact O-N 3.12Å; I361-Q363 VanDerWaalsContact C-N 3.32Å; I361-Q363 PolarHBondContact O-N 2.71Å; I361-H364 WeakPolarHBondContact O-CB 3.18Å; I361-H364 PolarHBondContact O-N 3.4Å; I361-H364 VanDerWaalsContact O-N 3.12Å; I361-I365 HydrophobicContact CG2-CD1 3.87Å; I361-I365 HydrophobicContact CG2-CG1 4.37Å; I361-I365 WeakPolarHBondContact O-CG1 3.1Å; I361-I365 PolarHBondContact O-N 3.46Å
362	L	98.4	Very high	96.9	Very high	34 Å²	34	68.5 Å²	68.5	18%	0.178	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-41.8	178.6	-64.3	179.7	0	0	0	112.2	V315 L318 R319 G358 H359 I365 R366	V315-L362 HydrophobicContact CG1-CD2 3.88Å; L318-L362 HydrophobicContact CB-CD1 4.32Å; L318-L362 HydrophobicContact CB-CD2 4.2Å; L318-L362 HydrophobicContact CB-CG 4.36Å; R319-L362 HydrophobicContact CG-CD1 4.01Å; R319-L362 HydrophobicContact CG-CD2 3.56Å; R319-L362 HydrophobicContact CG-CG 4.43Å; G358-L362 WeakPolarHBondContact O-CG 3.38Å; G358-L362 PolarHBondContact O-N 2.9Å; H359-L362 PolarHBondContact O-N 3.46Å; L362-I365 PolarHBondContact O-N 2.96Å; L362-R366 PolarHBondContact O-N 3.43Å; L362-R366 VanDerWaalsContact O-N 3.09Å
363	Q	97.8	Very high	96.7	Very high	91 Å²	91	66.9 Å²	66.9	43%	0.425	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-42.1	174	-178.1	176.7	-2.9	0	0	111.4	H359 Y360 I361 R366 N367	H359-Q363 WeakPolarHBondContact O-CB 3.34Å; H359-Q363 PolarHBondContact O-N 2.75Å; Y360-Q363 PolarHBondContact O-N 2.84Å; I361-Q363 VanDerWaalsContact C-N 3.32Å; I361-Q363 PolarHBondContact O-N 2.71Å; Q363-R366 PolarHBondContact O-N 3.38Å; Q363-N367 WeakPolarHBondContact O-CB 3.31Å; Q363-N367 PolarHBondContact O-N 3.34Å; Q363-N367 PolarHBondContact O-OD1 2.91Å
364	H	97.1	Very high	96.3	Very high	37 Å²	37	71.2 Å²	71.2	17%	0.171	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-47.2	176.7	-171.9	80.5	0	0	0	111.2	L304 Y360 I361 R366 N367 K368 I370	L304-H364 HydrophobicContact CD1-CB 4.32Å; Y360-H364 VanDerWaalsContact O-CB 3.28Å; Y360-H364 WeakPolarHBondContact O-CB 3.36Å; Y360-H364 PolarHBondContact O-N 3.29Å; I361-H364 WeakPolarHBondContact O-CB 3.18Å; I361-H364 PolarHBondContact O-N 3.4Å; I361-H364 VanDerWaalsContact O-N 3.12Å; H364-R366 PolarHBondContact O-N 3.35Å; H364-N367 PolarHBondContact O-N 3.33Å; H364-K368 WeakPolarHBondContact O-CB 3.27Å; H364-K368 PolarHBondContact O-N 3.22Å; H364-I370 WeakPolarHBondContact CD2-CD1 3.45Å
365	I	98	Very high	94.9	Very high	7 Å²	7	73.6 Å²	73.6	4%	0.036	32%	0.321	C	S	.	.	H	α-helix	trans	-54.4	-50.6	175	-70.9	166.1	0	0	0	111	F310 V315 I361 L362 R369 I370 L372	F310-I365 HydrophobicContact CD2-CD1 3.68Å; F310-I365 HydrophobicContact CD2-CG1 3.53Å; F310-I365 HydrophobicContact CE2-CD1 4.33Å; F310-I365 HydrophobicContact CE2-CG1 3.88Å; F310-I365 HydrophobicContact CG-CD1 4.41Å; V315-I365 HydrophobicContact CG1-CD1 4.07Å; V315-I365 HydrophobicContact CG2-CD1 3.73Å; I361-I365 HydrophobicContact CG2-CD1 3.87Å; I361-I365 HydrophobicContact CG2-CG1 4.37Å; I361-I365 WeakPolarHBondContact O-CG1 3.1Å; I361-I365 PolarHBondContact O-N 3.46Å; L362-I365 PolarHBondContact O-N 2.96Å; I365-R369 VanDerWaalsContact O-CA 3.28Å; I365-R369 WeakPolarHBondContact O-CA 3.11Å; I365-R369 PolarHBondContact O-N 2.74Å; I365-I370 HydrophobicContact CB-CB 4.42Å; I365-I370 HydrophobicContact CG1-CB 4.23Å; I365-I370 HydrophobicContact CG1-CG2 4.37Å; I365-I370 HydrophobicContact CG2-CB 4.35Å; I365-I370 PolarHBondContact O-N 3.09Å; I365-I370 VanDerWaalsContact O-N 3.11Å; I365-L372 HydrophobicContact CD1-CD2 4.26Å; I365-L372 HydrophobicContact CG2-CD2 4.45Å
366	R	97.6	Very high	92.5	Very high	180 Å²	180	83.6 Å²	83.6	68%	0.679	37%	0.373	S	S	*	.	H	α-helix	trans	-63.1	-46.2	-179.5	-174.8	-178.9	67.1	-172.4	-1.7	112	L362 Q363 H364	L362-R366 PolarHBondContact O-N 3.43Å; L362-R366 VanDerWaalsContact O-N 3.09Å; Q363-R366 PolarHBondContact O-N 3.38Å; H364-R366 PolarHBondContact O-N 3.35Å
367	N	97.4	Very high	92.3	Very high	99 Å²	99	83.7 Å²	83.7	53%	0.529	37%	0.373	S	S	.	.	H	α-helix	trans	-69.2	-36.1	-175	-70.5	-4.2	0	0	0	112.4	Q363 H364	Q363-N367 WeakPolarHBondContact O-CB 3.31Å; Q363-N367 PolarHBondContact O-N 3.34Å; Q363-N367 PolarHBondContact O-OD1 2.91Å; H364-N367 PolarHBondContact O-N 3.33Å
368	K	96.4	Very high	92.1	Very high	149 Å²	149	88.1 Å²	88.1	65%	0.648	39%	0.393	S	S	*	.	H	α-helix	trans	-97.6	-5.1	-177.4	-63	-64	-173.3	174.2	0	113.6	H364 I370	H364-K368 WeakPolarHBondContact O-CB 3.27Å; H364-K368 PolarHBondContact O-N 3.22Å; K368-I370 VanDerWaalsContact C-N 3.29Å; K368-I370 HydrophobicContact CB-CD1 4.08Å; K368-I370 HydrophobicContact CB-CG1 3.84Å; K368-I370 PolarHBondContact O-N 3.31Å
369	R	96.5	Very high	91.8	Very high	216 Å²	216	92.8 Å²	92.8	82%	0.815	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	44.9	-176.3	-56.2	179.3	-176.9	154.5	-0.2	112	I365	I365-R369 VanDerWaalsContact O-CA 3.28Å; I365-R369 WeakPolarHBondContact O-CA 3.11Å; I365-R369 PolarHBondContact O-N 2.74Å
370	I	96.9	Very high	91.5	Very high	16 Å²	16	92.1 Å²	92.1	8%	0.082	41%	0.409	C	S	.	.			trans	-67.4	139.9	179.6	-68.3	175.3	0	0	0	109.7	D308 F310 H364 I365 K368	D308-I370 WeakPolarHBondContact O-CG2 3.09Å; F310-I370 HydrophobicContact CD2-CD1 4.39Å; F310-I370 HydrophobicContact CD2-CG2 3.55Å; F310-I370 HydrophobicContact CE2-CD1 3.78Å; F310-I370 HydrophobicContact CE2-CG2 3.98Å; F310-I370 HydrophobicContact CG-CG2 4.42Å; H364-I370 WeakPolarHBondContact CD2-CD1 3.45Å; I365-I370 HydrophobicContact CB-CB 4.42Å; I365-I370 HydrophobicContact CG1-CB 4.23Å; I365-I370 HydrophobicContact CG1-CG2 4.37Å; I365-I370 HydrophobicContact CG2-CB 4.35Å; I365-I370 PolarHBondContact O-N 3.09Å; I365-I370 VanDerWaalsContact O-N 3.11Å; K368-I370 VanDerWaalsContact C-N 3.29Å; K368-I370 HydrophobicContact CB-CD1 4.08Å; K368-I370 HydrophobicContact CB-CG1 3.84Å; K368-I370 PolarHBondContact O-N 3.31Å
371	H	96.4	Very high	91.1	Very high	126 Å²	126	93.4 Å²	93.4	58%	0.583	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	148.1	-179.7	-63.6	-73.1	0	0	0	111.5	D308 E309 F310	D308-H371 PolarHBondContact O-N 3.15Å; E309-H371 CarbonylContact C-O 3.59Å; E309-H371 VanDerWaalsContact CA-O 3.23Å; E309-H371 WeakPolarHBondContact CA-O 3.36Å; E309-H371 HydrophobicContact CB-CB 4.25Å; F310-H371 PolarHBondContact N-O 2.9Å
372	L	96.3	Very high	90.6	Very high	49 Å²	49	99.7 Å²	99.7	26%	0.257	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.8	169.7	-58.7	-174.8	0	0	0	108.4	F310 E312 V315 R319 I365	F310-L372 HydrophobicContact CB-CD2 4.33Å; F310-L372 WeakPolarHBondContact O-CA 3.49Å; E312-L372 HydrophobicContact CB-CB 4.16Å; E312-L372 HydrophobicContact CG-CB 4.36Å; V315-L372 HydrophobicContact CB-CD2 4.11Å; V315-L372 HydrophobicContact CG1-CD1 4.02Å; V315-L372 HydrophobicContact CG1-CD2 3.94Å; V315-L372 HydrophobicContact CG2-CD2 3.85Å; R319-L372 VanDerWaalsContact NH1-CD1 3.34Å; I365-L372 HydrophobicContact CD1-CD2 4.26Å; I365-L372 HydrophobicContact CG2-CD2 4.45Å
373	R	91.4	Very high	90.1	Very high	76 Å²	76	104.4 Å²	104.4	29%	0.287	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.9	-179.4	175.6	164.5	-111.4	-171.8	-15.5	109.7	N205 E309 F310 E312 D375	N205-R373 VanDerWaalsContact CG-NH2 3.33Å; N205-R373 PolarHBondContact ND2-NH1 2.72Å; N205-R373 VanDerWaalsContact ND2-NH1 3.2Å; N205-R373 PolarHBondContact ND2-NH2 3.25Å; N205-R373 VanDerWaalsContact OD1-CZ 3.3Å; N205-R373 PolarHBondContact OD1-NH1 3.03Å; N205-R373 PolarHBondContact OD1-NH2 2.7Å; E309-R373 WeakPolarHBondContact OE1-CD 3.47Å; E309-R373 IonicContact OE1-CZ 2.94Å; E309-R373 IonicContact OE1-NE 3.33Å; E309-R373 IonicContact OE1-NH1 3.98Å; E309-R373 PolarHBondContact OE1-NH1 3.04Å; E309-R373 IonicContact OE2-CZ 3.38Å; E309-R373 IonicContact OE2-NE 2.96Å; E309-R373 IonicContact OE2-NH1 3.06Å; F310-R373 PolarHBondContact O-N 3.1Å; E312-R373 WeakPolarHBondContact CB-O 3.22Å; E312-R373 PolarHBondContact N-O 3.09Å; R373-D375 PolarHBondContact O-N 3.35Å
374	R	85.7	Confident	89.5	Confident	134 Å²	134	105.4 Å²	105.4	51%	0.506	47%	0.467	S	S	.	.			trans	-61	123.7	168.5	-79.2	177.4	-174.7	-175.2	4.1	109.1	E24 E312	E24-R374 VanDerWaalsContact CD-NH2 3.26Å; E24-R374 IonicContact OE1-NH2 3.57Å; E24-R374 IonicContact OE2-CZ 3.48Å; E24-R374 IonicContact OE2-NH2 3.27Å; E24-R374 PolarHBondContact OE2-NH2 2.94Å; E312-R374 WeakPolarHBondContact OE2-CG 3.5Å; E312-R374 IonicContact OE2-CZ 2.9Å; E312-R374 IonicContact OE2-NE 2.68Å; E312-R374 PolarHBondContact OE2-NE 3.25Å; E312-R374 IonicContact OE2-NH2 2.79Å
375	D	67.8	Low	88.8	Confident	50 Å²	50	111.1 Å²	111.1	27%	0.267	49%	0.492	S	S	.	.			trans	-63.5	133.4	169.4	-61	-54.3	0	0	0	108.1	R224 K313 R373	R224-D375 IonicContact CZ-OD1 3.45Å; R224-D375 IonicContact NE-OD1 3.44Å; R224-D375 PolarHBondContact NE-OD1 2.9Å; R224-D375 IonicContact NH2-OD1 3.77Å; R224-D375 PolarHBondContact NH2-OD1 2.9Å; K313-D375 VanDerWaalsContact CB-OD2 3.28Å; K313-D375 WeakPolarHBondContact CB-OD2 3.46Å; R373-D375 PolarHBondContact O-N 3.35Å
376	L	45.5	Very low	88	Confident	231 Å²	231	120.5 Å²	120.5	100%	1.209	53%	0.533	S	S	*	.			trans	-85.3	0	172.8	-75.6	171.6	0	0	0	110.9

Retrieved 376 of 376 residues in 630.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).