A0A096NDE9_PAPAN Loading...

Neprilysin

Thermolysin-like specificity, but is almost confined on acting on polypeptides of up to 30 amino acids. Biologically important in the destruction of opioid peptides such as Met- and Leu-enkephalins by cleavage of a Gly-Phe bond. Catalyzes cleavage of bradykinin, substance P and neurotensin peptides. Able to cleave angiotensin-1, angiotensin-2 and angiotensin 1-9. Involved in the degradation of atrial natriuretic factor (ANF) and brain natriuretic factor (BNP(1-32)). Displays UV-inducible elastase activity toward skin preelastic and elastic fibers.

AlphaFold DB (A0A2K5X580), UniProt , Accession A0A096NDE9, Species PAPAN (Papio anubis, Olive baboon), Gene MME, Length 750 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	40.5	Very low	254 Å²	254	161.2 Å²	161.2	100%	1.251	86%	0.861	S	S	*	*				0	127.6	0	-71.3	171.1	169.6	0	0	106.5
2	G	36.7	Very low	40.6	Very low	80 Å²	80	159.9 Å²	159.9	83%	0.825	85%	0.854	S	S	*	*			cis	-171.1	154	1.3	0	0	0	0	0	106.1
3	R	43.2	Very low	41.3	Very low	254 Å²	254	160.5 Å²	160.5	96%	0.958	86%	0.855	S	S	*	*			trans	-64.4	158.6	-171.6	-69.6	173.3	170	173.7	-4.3	115.5
4	S	35.9	Very low	41.5	Very low	109 Å²	109	159.7 Å²	159.7	76%	0.762	85%	0.851	S	S	*	*			trans	-176.5	103.3	134.3	176.3	0	0	0	0	108
5	E	41	Very low	42.3	Very low	180 Å²	180	156.7 Å²	156.7	84%	0.841	84%	0.841	S	S	*	*				75.8	118.1	91.3	-95	-174.6	-171.5	0	0	117.5
6	S	40.6	Very low	43.1	Very low	103 Å²	103	154.9 Å²	154.9	72%	0.72	84%	0.841	S	S	*	*			trans	59.6	127.5	148.7	110.9	0	0	0	0	120.7
7	Q	40.9	Very low	43.6	Very low	188 Å²	188	157.3 Å²	157.3	88%	0.879	84%	0.841	S	S	*	*				-178.9	149.2	91	-127.8	170.8	-2.3	0	0	112.2
8	M	42	Very low	44	Very low	168 Å²	168	155.3 Å²	155.3	83%	0.828	84%	0.838	S	S	*	*			trans	-56.3	147.1	168	-76.1	153.4	34.2	0	0	112.7
9	D	38.7	Very low	44.4	Very low	149 Å²	149	157.8 Å²	157.8	80%	0.797	84%	0.84	S	S	*	*				-160.4	141.1	120.5	-121.8	-17.8	0	0	0	114.5
10	I	49.4	Very low	44.7	Very low	154 Å²	154	160.2 Å²	160.2	79%	0.79	84%	0.843	S	S	*	*			trans	-81.4	129.7	172.1	-69.5	162.2	0	0	0	107.2
11	T	41.4	Very low	45.2	Very low	134 Å²	134	162 Å²	162	82%	0.822	84%	0.844	S	S	*	*			trans	-141.3	144.4	165	30	0	0	0	0	113.2
12	D	41.3	Very low	46.2	Very low	146 Å²	146	157.9 Å²	157.9	78%	0.781	82%	0.821	S	S	*	*			trans	-62.5	151.6	-161.3	-76.8	-60.8	0	0	0	117.7	N14	D12-N14 PolarHBondContact O-N 2.72Å; D12-N14 VanDerWaalsContact O-N 3.16Å
13	I	50.3	Low	47.5	Very low	167 Å²	167	165 Å²	165	86%	0.856	82%	0.824	S	S	*	*			trans	-59.2	108.8	158.9	-63.8	167.7	0	0	0	108.5
14	N	43.8	Very low	48.4	Very low	150 Å²	150	160.2 Å²	160.2	80%	0.802	81%	0.806	S	S	*	*			trans	-103.5	112	168.4	-105.4	-37.4	0	0	0	110.3	D12	D12-N14 PolarHBondContact O-N 2.72Å; D12-N14 VanDerWaalsContact O-N 3.16Å
15	T	52.9	Low	50.4	Low	114 Å²	114	158.1 Å²	158.1	70%	0.699	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-49.1	143.9	168.5	35	0	0	0	0	112.9	K17	T15-K17 PolarHBondContact O-N 2.83Å
16	P	55.3	Low	52	Low	129 Å²	129	154.8 Å²	154.8	84%	0.838	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-66	124.1	176.2	-10.4	24.5	0	0	0	110.6
17	K	51.9	Low	53.8	Low	195 Å²	195	155.7 Å²	155.7	85%	0.848	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-58.6	138.9	171.4	-74.3	176.9	177.7	173.4	0	110.2	T15 K19	T15-K17 PolarHBondContact O-N 2.83Å; K17-K19 PolarHBondContact O-N 3.08Å
18	P	50.8	Low	55.6	Low	121 Å²	121	151 Å²	151	79%	0.786	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-65	124.8	176.8	27.5	-32.8	0	0	0	109.3	K20	P18-K20 PolarHBondContact O-N 3.29Å; P18-K20 VanDerWaalsContact O-N 3.12Å
19	K	52.8	Low	57.4	Low	203 Å²	203	147.2 Å²	147.2	88%	0.883	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-56.8	119.2	167.2	-77.7	-177.4	176.8	179.3	0	107.5	K17 K21	K17-K19 PolarHBondContact O-N 3.08Å; K19-K21 PolarHBondContact O-N 3.24Å
20	K	50	Low	59.3	Low	205 Å²	205	144 Å²	144	89%	0.891	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-51.3	117.1	170.6	-87.3	-179.5	173.8	178.4	0	107.7	P18 Q22	P18-K20 PolarHBondContact O-N 3.29Å; P18-K20 VanDerWaalsContact O-N 3.12Å; K20-Q22 PolarHBondContact O-N 2.77Å
21	K	54.9	Low	61	Low	198 Å²	198	141.3 Å²	141.3	86%	0.861	72%	0.715	S	S	*	*			trans	-58.4	110.4	169.6	-79.2	-176.5	176.2	-178.6	0	107.2	K19 R23	K19-K21 PolarHBondContact O-N 3.24Å; K21-R23 PolarHBondContact O-N 3.28Å
22	Q	57.5	Low	62.9	Low	168 Å²	168	137.3 Å²	137.3	79%	0.785	69%	0.692	S	S	*	*			trans	-58.7	104.3	171	-160.9	165.5	-2	0	0	106.2	K20 W24	K20-Q22 PolarHBondContact O-N 2.77Å; Q22-W24 VanDerWaalsContact O-CD1 3.32Å; Q22-W24 PolarHBondContact O-N 3.34Å
23	R	62.1	Low	65	Low	231 Å²	231	133.9 Å²	133.9	87%	0.872	68%	0.676	S	S	*	*			trans	-78.4	107	176.2	-88.6	-176.1	168.7	179.9	-3.2	106.3	K21 T25	K21-R23 PolarHBondContact O-N 3.28Å; R23-T25 PolarHBondContact O-N 3.45Å
24	W	62.5	Low	66.9	Low	152 Å²	152	130.8 Å²	130.8	58%	0.576	66%	0.661	S	S	*	*			trans	-57.2	132.2	174.1	-66	56.3	0	0	0	108.2	Q22 E28 I29 S32	Q22-W24 VanDerWaalsContact O-CD1 3.32Å; Q22-W24 PolarHBondContact O-N 3.34Å; W24-E28 WeakPolarHBondContact CA-OE2 3.45Å; W24-E28 HydrophobicContact CB-CB 4.38Å; W24-E28 HydrophobicContact CE3-CB 3.83Å; W24-I29 HydrophobicContact CB-CD1 4.17Å; W24-I29 HydrophobicContact CB-CG1 3.67Å; W24-S32 WeakPolarHBondContact CZ3-OG 3.44Å
25	T	77.7	Confident	69.1	Low	66 Å²	66	127.6 Å²	127.6	41%	0.405	65%	0.647	S	S	.	*			trans	-66.3	155.6	173.4	59.9	0	0	0	0	109.8	R23 L27 E28 I29	R23-T25 PolarHBondContact O-N 3.45Å; T25-L27 PolarHBondContact O-N 2.96Å; T25-L27 VanDerWaalsContact O-N 3.11Å; T25-E28 PolarHBondContact N-OE2 3.41Å; T25-E28 PolarHBondContact O-N 2.69Å; T25-E28 VanDerWaalsContact OG1-CD 3.27Å; T25-E28 VanDerWaalsContact OG1-CG 3.22Å; T25-E28 WeakPolarHBondContact OG1-CG 3.49Å; T25-E28 PolarHBondContact OG1-N 2.68Å; T25-E28 PolarHBondContact OG1-OE2 2.71Å; T25-I29 PolarHBondContact O-N 2.98Å
26	P	76.2	Confident	70.9	Confident	109 Å²	109	127.3 Å²	127.3	71%	0.708	64%	0.64	S	S	*	*	H	α-helix	trans	-53.3	-34.7	177.5	-24.9	33	0	0	0	112.7	S30	P26-S30 WeakPolarHBondContact O-CB 3.38Å; P26-S30 PolarHBondContact O-N 3.18Å; P26-S30 PolarHBondContact O-OG 2.94Å
27	L	78.1	Confident	72.6	Confident	123 Å²	123	125.5 Å²	125.5	64%	0.644	62%	0.623	S	S	*	*	H	α-helix	trans	-66.3	-44.7	176.4	-168.7	75.9	0	0	0	112.3	T25 I29 S30 L31	T25-L27 PolarHBondContact O-N 2.96Å; T25-L27 VanDerWaalsContact O-N 3.11Å; L27-I29 VanDerWaalsContact C-N 3.33Å; L27-I29 PolarHBondContact O-N 2.86Å; L27-S30 PolarHBondContact O-N 2.69Å; L27-L31 HydrophobicContact CG-CD1 4.19Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 PolarHBondContact O-N 3.1Å
28	E	78.1	Confident	74.5	Confident	89 Å²	89	121.1 Å²	121.1	42%	0.416	61%	0.608	S	S	.	*	H	α-helix	trans	-66.3	-35.2	177.9	-71.1	165.3	151.8	0	0	111.9	W24 T25 S32	W24-E28 WeakPolarHBondContact CA-OE2 3.45Å; W24-E28 HydrophobicContact CB-CB 4.38Å; W24-E28 HydrophobicContact CE3-CB 3.83Å; T25-E28 PolarHBondContact N-OE2 3.41Å; T25-E28 PolarHBondContact O-N 2.69Å; T25-E28 VanDerWaalsContact OG1-CD 3.27Å; T25-E28 VanDerWaalsContact OG1-CG 3.22Å; T25-E28 WeakPolarHBondContact OG1-CG 3.49Å; T25-E28 PolarHBondContact OG1-N 2.68Å; T25-E28 PolarHBondContact OG1-OE2 2.71Å; E28-S32 VanDerWaalsContact O-CB 3.31Å; E28-S32 WeakPolarHBondContact O-CB 3.41Å; E28-S32 PolarHBondContact O-N 3.34Å; E28-S32 PolarHBondContact O-OG 3.1Å
29	I	80.1	Confident	76.4	Confident	89 Å²	89	118.9 Å²	118.9	46%	0.456	59%	0.592	S	S	.	*	H	α-helix	trans	-66.3	-48.1	173.3	-62.3	172.2	0	0	0	109.9	W24 T25 L27 L31 S32 V33	W24-I29 HydrophobicContact CB-CD1 4.17Å; W24-I29 HydrophobicContact CB-CG1 3.67Å; T25-I29 PolarHBondContact O-N 2.98Å; L27-I29 VanDerWaalsContact C-N 3.33Å; L27-I29 PolarHBondContact O-N 2.86Å; I29-L31 PolarHBondContact O-N 3.39Å; I29-S32 PolarHBondContact O-N 3.29Å; I29-V33 HydrophobicContact CG2-CG2 4.47Å; I29-V33 VanDerWaalsContact O-CG2 3.28Å; I29-V33 WeakPolarHBondContact O-CG2 3.45Å; I29-V33 PolarHBondContact O-N 3.06Å
30	S	78.6	Confident	78.2	Confident	80 Å²	80	113.5 Å²	113.5	56%	0.559	57%	0.572	S	S	*	*	H	α-helix	trans	-61.4	-42.3	177.6	-69.3	0	0	0	0	112.8	P26 L27 V33 L34	P26-S30 WeakPolarHBondContact O-CB 3.38Å; P26-S30 PolarHBondContact O-N 3.18Å; P26-S30 PolarHBondContact O-OG 2.94Å; L27-S30 PolarHBondContact O-N 2.69Å; S30-V33 PolarHBondContact O-N 2.8Å; S30-L34 WeakPolarHBondContact O-CB 3.07Å; S30-L34 PolarHBondContact O-N 3.41Å
31	L	84.3	Confident	80.2	Confident	99 Å²	99	108.2 Å²	108.2	52%	0.518	55%	0.553	S	S	.	*	H	α-helix	trans	-65.4	-40.8	176.1	-113	117.5	0	0	0	111.9	L27 I29 L34 V35	L27-L31 HydrophobicContact CG-CD1 4.19Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 PolarHBondContact O-N 3.1Å; I29-L31 PolarHBondContact O-N 3.39Å; L31-L34 PolarHBondContact O-N 3.13Å; L31-V35 WeakPolarHBondContact O-CB 3.45Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.15Å; L31-V35 PolarHBondContact O-N 3.04Å
32	S	81.1	Confident	81.8	Confident	49 Å²	49	101 Å²	101	34%	0.343	53%	0.53	S	S	.	.	H	α-helix	trans	-66.6	-38.9	178.6	-58.4	0	0	0	0	112.1	W24 E28 I29 L36	W24-S32 WeakPolarHBondContact CZ3-OG 3.44Å; E28-S32 VanDerWaalsContact O-CB 3.31Å; E28-S32 WeakPolarHBondContact O-CB 3.41Å; E28-S32 PolarHBondContact O-N 3.34Å; E28-S32 PolarHBondContact O-OG 3.1Å; I29-S32 PolarHBondContact O-N 3.29Å; S32-L36 VanDerWaalsContact O-CB 3.27Å; S32-L36 WeakPolarHBondContact O-CB 3.36Å; S32-L36 PolarHBondContact O-N 3.42Å
33	V	86.5	Confident	83.2	Confident	75 Å²	75	97.6 Å²	97.6	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-65.5	-40.9	173.7	171.7	0	0	0	0	110.9	I29 S30 L36 L37	I29-V33 HydrophobicContact CG2-CG2 4.47Å; I29-V33 VanDerWaalsContact O-CG2 3.28Å; I29-V33 WeakPolarHBondContact O-CG2 3.45Å; I29-V33 PolarHBondContact O-N 3.06Å; S30-V33 PolarHBondContact O-N 2.8Å; V33-L36 PolarHBondContact O-N 2.96Å; V33-L37 HydrophobicContact CG1-CD1 3.95Å; V33-L37 WeakPolarHBondContact O-CB 3.4Å; V33-L37 WeakPolarHBondContact O-CG 3.3Å; V33-L37 PolarHBondContact O-N 3.38Å
34	L	90	Very high	84.4	Confident	102 Å²	102	89.9 Å²	89.9	53%	0.534	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-46.4	176.5	-167.8	82.3	0	0	0	111.7	S30 L31 L36 L37 L38	S30-L34 WeakPolarHBondContact O-CB 3.07Å; S30-L34 PolarHBondContact O-N 3.41Å; L31-L34 PolarHBondContact O-N 3.13Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.12Å; L34-L37 PolarHBondContact O-N 3.45Å; L34-L38 HydrophobicContact CG-CD1 4.27Å; L34-L38 WeakPolarHBondContact O-CB 3.21Å; L34-L38 WeakPolarHBondContact O-CG 3.02Å; L34-L38 PolarHBondContact O-N 3.22Å
35	V	90.6	Very high	85.4	Confident	83 Å²	83	88.5 Å²	88.5	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-60.7	-45.4	176	170.3	0	0	0	0	110.1	L31 L37 L38 T39	L31-V35 WeakPolarHBondContact O-CB 3.45Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.15Å; L31-V35 PolarHBondContact O-N 3.04Å; V35-L37 PolarHBondContact O-N 3.4Å; V35-L38 PolarHBondContact O-N 2.73Å; V35-T39 PolarHBondContact O-N 2.67Å; V35-T39 PolarHBondContact O-OG1 3.05Å
36	L	90.1	Very high	85.7	Confident	107 Å²	107	91 Å²	91	56%	0.56	51%	0.51	S	S	*	.	H	α-helix	trans	-58.8	-47.3	177.4	-169	76.7	0	0	0	111.5	S32 V33 L34 T39 I40	S32-L36 VanDerWaalsContact O-CB 3.27Å; S32-L36 WeakPolarHBondContact O-CB 3.36Å; S32-L36 PolarHBondContact O-N 3.42Å; V33-L36 PolarHBondContact O-N 2.96Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.12Å; L36-T39 VanDerWaalsContact CA-OG1 3.26Å; L36-T39 WeakPolarHBondContact CA-OG1 3.44Å; L36-T39 PolarHBondContact O-N 3.19Å; L36-T39 PolarHBondContact O-OG1 3.14Å; L36-I40 HydrophobicContact CD2-CD1 4.49Å; L36-I40 HydrophobicContact CG-CD1 4.1Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.35Å; L36-I40 PolarHBondContact O-N 3.46Å
37	L	91.2	Very high	85.8	Confident	91 Å²	91	88.1 Å²	88.1	48%	0.476	50%	0.496	S	S	.	.	H	α-helix	trans	-60.7	-44.1	176.6	-81.1	163.4	0	0	0	112.1	V33 L34 V35 I40 I41	V33-L37 HydrophobicContact CG1-CD1 3.95Å; V33-L37 WeakPolarHBondContact O-CB 3.4Å; V33-L37 WeakPolarHBondContact O-CG 3.3Å; V33-L37 PolarHBondContact O-N 3.38Å; L34-L37 PolarHBondContact O-N 3.45Å; V35-L37 PolarHBondContact O-N 3.4Å; L37-I40 PolarHBondContact O-N 3.49Å; L37-I41 VanDerWaalsContact O-CG1 3.27Å; L37-I41 WeakPolarHBondContact O-CG1 3.39Å; L37-I41 PolarHBondContact O-N 2.74Å
38	L	91.4	Very high	85.9	Confident	104 Å²	104	87.5 Å²	87.5	55%	0.545	49%	0.493	S	S	.	.	H	α-helix	trans	-64.9	-39.9	176.9	-72	171	0	0	0	111.9	L34 V35 I41 A42	L34-L38 HydrophobicContact CG-CD1 4.27Å; L34-L38 WeakPolarHBondContact O-CB 3.21Å; L34-L38 WeakPolarHBondContact O-CG 3.02Å; L34-L38 PolarHBondContact O-N 3.22Å; V35-L38 PolarHBondContact O-N 2.73Å; L38-I41 PolarHBondContact O-N 3.19Å; L38-A42 WeakPolarHBondContact O-CB 3.28Å; L38-A42 PolarHBondContact O-N 3.18Å
39	T	89.8	Confident	85.7	Confident	73 Å²	73	92.8 Å²	92.8	45%	0.448	51%	0.51	S	S	.	.	H	α-helix	trans	-65	-39.9	172.3	29.9	0	0	0	0	112.4	V35 L36 A42 V43	V35-T39 PolarHBondContact O-N 2.67Å; V35-T39 PolarHBondContact O-OG1 3.05Å; L36-T39 VanDerWaalsContact CA-OG1 3.26Å; L36-T39 WeakPolarHBondContact CA-OG1 3.44Å; L36-T39 PolarHBondContact O-N 3.19Å; L36-T39 PolarHBondContact O-OG1 3.14Å; T39-A42 PolarHBondContact O-N 3.07Å; T39-V43 WeakPolarHBondContact O-CB 3.39Å; T39-V43 WeakPolarHBondContact O-CG2 3.3Å; T39-V43 PolarHBondContact O-N 3.07Å
40	I	91.4	Very high	85.3	Confident	91 Å²	91	92.3 Å²	92.3	47%	0.467	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-46.4	176.3	-70.6	165.3	0	0	0	109.8	L36 L37 V43 T44	L36-I40 HydrophobicContact CD2-CD1 4.49Å; L36-I40 HydrophobicContact CG-CD1 4.1Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.35Å; L36-I40 PolarHBondContact O-N 3.46Å; L37-I40 PolarHBondContact O-N 3.49Å; I40-V43 PolarHBondContact O-N 2.94Å; I40-T44 PolarHBondContact O-N 3.17Å; I40-T44 PolarHBondContact O-OG1 3.48Å
41	I	91.4	Very high	84.9	Confident	94 Å²	94	93.8 Å²	93.8	48%	0.482	53%	0.525	S	S	.	.	H	α-helix	trans	-61.6	-43.8	177	-68.2	165.1	0	0	0	111.2	L37 L38 T44 M45	L37-I41 VanDerWaalsContact O-CG1 3.27Å; L37-I41 WeakPolarHBondContact O-CG1 3.39Å; L37-I41 PolarHBondContact O-N 2.74Å; L38-I41 PolarHBondContact O-N 3.19Å; I41-T44 WeakPolarHBondContact CA-OG1 3.35Å; I41-T44 PolarHBondContact O-N 3.39Å; I41-T44 PolarHBondContact O-OG1 3.46Å; I41-T44 VanDerWaalsContact O-OG1 3.12Å; I41-M45 HydrophobicContact CG2-CG 4.35Å; I41-M45 WeakPolarHBondContact O-CB 3.36Å; I41-M45 VanDerWaalsContact O-CG 3.24Å; I41-M45 WeakPolarHBondContact O-CG 3.43Å; I41-M45 PolarHBondContact O-N 3.31Å
42	A	89.3	Confident	84.5	Confident	47 Å²	47	97 Å²	97	39%	0.388	53%	0.532	S	S	.	.	H	α-helix	trans	-63.3	-43.6	177.3	0	0	0	0	0	111.3	L38 T39 M45 I46	L38-A42 WeakPolarHBondContact O-CB 3.28Å; L38-A42 PolarHBondContact O-N 3.18Å; T39-A42 PolarHBondContact O-N 3.07Å; A42-M45 PolarHBondContact O-N 2.97Å; A42-I46 WeakPolarHBondContact O-CB 3.35Å; A42-I46 WeakPolarHBondContact O-CD1 3.38Å; A42-I46 WeakPolarHBondContact O-CG1 3.25Å; A42-I46 PolarHBondContact O-N 3.13Å
43	V	87.4	Confident	84.4	Confident	96 Å²	96	99.1 Å²	99.1	58%	0.582	54%	0.539	S	S	*	.	H	α-helix	trans	-66.7	-41.1	177.7	171.8	0	0	0	0	111.3	T39 I40 I46 A47	T39-V43 WeakPolarHBondContact O-CB 3.39Å; T39-V43 WeakPolarHBondContact O-CG2 3.3Å; T39-V43 PolarHBondContact O-N 3.07Å; I40-V43 PolarHBondContact O-N 2.94Å; V43-I46 PolarHBondContact O-N 2.82Å; V43-A47 VanDerWaalsContact O-CB 3.23Å; V43-A47 WeakPolarHBondContact O-CB 3.27Å; V43-A47 PolarHBondContact O-N 2.83Å
44	T	85.9	Confident	84.5	Confident	69 Å²	69	98.6 Å²	98.6	42%	0.423	53%	0.534	S	S	.	.	H	α-helix	trans	-68.2	-37.1	174.9	37.5	0	0	0	0	112.4	I40 I41 A47 L48	I40-T44 PolarHBondContact O-N 3.17Å; I40-T44 PolarHBondContact O-OG1 3.48Å; I41-T44 WeakPolarHBondContact CA-OG1 3.35Å; I41-T44 PolarHBondContact O-N 3.39Å; I41-T44 PolarHBondContact O-OG1 3.46Å; I41-T44 VanDerWaalsContact O-OG1 3.12Å; T44-A47 PolarHBondContact O-N 3.44Å; T44-L48 VanDerWaalsContact O-CB 3.24Å; T44-L48 WeakPolarHBondContact O-CB 3.46Å; T44-L48 WeakPolarHBondContact O-CD1 3.32Å; T44-L48 WeakPolarHBondContact O-CG 3.41Å; T44-L48 PolarHBondContact O-N 2.86Å
45	M	84.6	Confident	84.6	Confident	123 Å²	123	95.1 Å²	95.1	61%	0.606	52%	0.523	S	S	*	.	H	α-helix	trans	-67.4	-40.5	174.5	-73.5	-69.3	-78.2	0	0	112	I41 A42 L48 Y49	I41-M45 HydrophobicContact CG2-CG 4.35Å; I41-M45 WeakPolarHBondContact O-CB 3.36Å; I41-M45 VanDerWaalsContact O-CG 3.24Å; I41-M45 WeakPolarHBondContact O-CG 3.43Å; I41-M45 PolarHBondContact O-N 3.31Å; A42-M45 PolarHBondContact O-N 2.97Å; M45-L48 PolarHBondContact O-N 3.31Å; M45-Y49 VanDerWaalsContact O-CB 3.25Å; M45-Y49 WeakPolarHBondContact O-CB 3.34Å; M45-Y49 PolarHBondContact O-N 3.31Å
46	I	83.4	Confident	84.8	Confident	118 Å²	118	93.9 Å²	93.9	61%	0.605	51%	0.513	S	S	*	.	H	α-helix	trans	-64.8	-43.2	173.5	-69.5	164.9	0	0	0	110.2	A42 V43 Y49 A50	A42-I46 WeakPolarHBondContact O-CB 3.35Å; A42-I46 WeakPolarHBondContact O-CD1 3.38Å; A42-I46 WeakPolarHBondContact O-CG1 3.25Å; A42-I46 PolarHBondContact O-N 3.13Å; V43-I46 PolarHBondContact O-N 2.82Å; I46-Y49 PolarHBondContact O-N 3.27Å; I46-A50 WeakPolarHBondContact O-CB 3.45Å; I46-A50 PolarHBondContact O-N 3.49Å
47	A	78.4	Confident	85.1	Confident	49 Å²	49	89.9 Å²	89.9	41%	0.405	49%	0.493	S	S	.	.	H	α-helix	trans	-62.7	-48.6	176.3	0	0	0	0	0	111	V43 T44 Y49 A50 T51	V43-A47 VanDerWaalsContact O-CB 3.23Å; V43-A47 WeakPolarHBondContact O-CB 3.27Å; V43-A47 PolarHBondContact O-N 2.83Å; T44-A47 PolarHBondContact O-N 3.44Å; A47-Y49 VanDerWaalsContact C-N 3.34Å; A47-Y49 PolarHBondContact O-N 3.12Å; A47-A50 PolarHBondContact O-N 3.4Å; A47-T51 WeakPolarHBondContact O-CB 3.47Å; A47-T51 WeakPolarHBondContact O-CG2 3.36Å; A47-T51 PolarHBondContact O-N 3.03Å; A47-T51 PolarHBondContact O-OG1 3.41Å
48	L	79.7	Confident	85.4	Confident	110 Å²	110	91.7 Å²	91.7	58%	0.576	50%	0.497	S	S	*	.	H	α-helix	trans	-58.7	-44.4	176.9	-77.8	165.8	0	0	0	111.6	T44 M45 T51 Y52	T44-L48 VanDerWaalsContact O-CB 3.24Å; T44-L48 WeakPolarHBondContact O-CB 3.46Å; T44-L48 WeakPolarHBondContact O-CD1 3.32Å; T44-L48 WeakPolarHBondContact O-CG 3.41Å; T44-L48 PolarHBondContact O-N 2.86Å; M45-L48 PolarHBondContact O-N 3.31Å; L48-T51 PolarHBondContact O-N 3.22Å; L48-T51 PolarHBondContact O-OG1 3.26Å; L48-Y52 VanDerWaalsContact O-CB 3.31Å; L48-Y52 WeakPolarHBondContact O-CB 3.25Å; L48-Y52 PolarHBondContact O-N 3.01Å
49	Y	74.8	Confident	85.6	Confident	200 Å²	200	89.1 Å²	89.1	78%	0.784	49%	0.488	S	S	*	.	H	α-helix	trans	-67.9	-39.8	177	-171.9	-97.5	0	0	0	112.3	M45 I46 A47 T51 Y52	M45-Y49 VanDerWaalsContact O-CB 3.25Å; M45-Y49 WeakPolarHBondContact O-CB 3.34Å; M45-Y49 PolarHBondContact O-N 3.31Å; I46-Y49 PolarHBondContact O-N 3.27Å; A47-Y49 VanDerWaalsContact C-N 3.34Å; A47-Y49 PolarHBondContact O-N 3.12Å; Y49-T51 VanDerWaalsContact C-N 3.33Å; Y49-Y52 PolarHBondContact O-N 3.34Å
50	A	70.9	Confident	86	Confident	78 Å²	78	89 Å²	89	65%	0.645	49%	0.49	S	S	*	.	H	α-helix	trans	-71.1	-26.3	177.4	0	0	0	0	0	113	I46 A47	I46-A50 WeakPolarHBondContact O-CB 3.45Å; I46-A50 PolarHBondContact O-N 3.49Å; A47-A50 PolarHBondContact O-N 3.4Å
51	T	70.6	Confident	86.3	Confident	111 Å²	111	87 Å²	87	68%	0.681	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-1.5	175.9	59.7	0	0	0	0	113.8	A47 L48 Y49 D53	A47-T51 WeakPolarHBondContact O-CB 3.47Å; A47-T51 WeakPolarHBondContact O-CG2 3.36Å; A47-T51 PolarHBondContact O-N 3.03Å; A47-T51 PolarHBondContact O-OG1 3.41Å; L48-T51 PolarHBondContact O-N 3.22Å; L48-T51 PolarHBondContact O-OG1 3.26Å; Y49-T51 VanDerWaalsContact C-N 3.33Å; T51-D53 PolarHBondContact O-N 3.1Å
52	Y	76.4	Confident	86.6	Confident	167 Å²	167	82.7 Å²	82.7	66%	0.655	46%	0.459	S	S	*	.			trans	-73.8	108	179.8	-176	-102.4	0	0	0	110.2	L48 Y49 D54	L48-Y52 VanDerWaalsContact O-CB 3.31Å; L48-Y52 WeakPolarHBondContact O-CB 3.25Å; L48-Y52 PolarHBondContact O-N 3.01Å; Y49-Y52 PolarHBondContact O-N 3.34Å; Y52-D54 HydrophobicContact CD1-CB 4.34Å; Y52-D54 HydrophobicContact CE1-CB 3.85Å
53	D	79.6	Confident	87	Confident	94 Å²	94	84.6 Å²	84.6	50%	0.503	46%	0.462	S	S	.	.			trans	-91.2	106.4	172.4	-164.9	0.6	0	0	0	108.9	T51 G55 K673	T51-D53 PolarHBondContact O-N 3.1Å; D53-G55 PolarHBondContact O-N 2.85Å; D53-G55 PolarHBondContact OD1-N 2.97Å; D53-K673 IonicContact OD1-NZ 3.12Å; D53-K673 PolarHBondContact OD1-NZ 2.97Å; D53-K673 VanDerWaalsContact OD2-CE 3.31Å; D53-K673 WeakPolarHBondContact OD2-CE 3.36Å; D53-K673 IonicContact OD2-NZ 2.71Å; D53-K673 PolarHBondContact OD2-NZ 3.18Å
54	D	87.8	Confident	87.5	Confident	63 Å²	63	86.1 Å²	86.1	34%	0.337	46%	0.46	S	S	.	.			trans	-77.1	3.5	175.6	55.3	0.1	0	0	0	112.7	Y52 I56 K58	Y52-D54 HydrophobicContact CD1-CB 4.34Å; Y52-D54 HydrophobicContact CE1-CB 3.85Å; D54-I56 PolarHBondContact O-N 2.89Å; D54-I56 PolarHBondContact OD1-N 3.33Å; D54-K58 VanDerWaalsContact OD1-CE 3.31Å; D54-K58 WeakPolarHBondContact OD1-CE 3.32Å; D54-K58 IonicContact OD1-NZ 3Å; D54-K58 PolarHBondContact OD1-NZ 3.37Å; D54-K58 WeakPolarHBondContact OD2-CE 3.34Å; D54-K58 IonicContact OD2-NZ 2.7Å; D54-K58 PolarHBondContact OD2-NZ 2.6Å
55	G	91.5	Very high	88.1	Confident	30 Å²	30	83.4 Å²	83.4	31%	0.309	44%	0.444	S	S	.	.	S	Bend	trans	74.6	9	-178.7	0	0	0	0	0	113.5	D53 K673 L674	D53-G55 PolarHBondContact O-N 2.85Å; D53-G55 PolarHBondContact OD1-N 2.97Å; G55-K673 CarbonylContact O-C 3.56Å; G55-K673 WeakPolarHBondContact O-CA 3.27Å; G55-K673 WeakPolarHBondContact O-CB 3.39Å; G55-L674 PolarHBondContact O-N 3.25Å
56	I	96.1	Very high	88.7	Confident	57 Å²	57	77.6 Å²	77.6	29%	0.292	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-104.3	132.4	-177.7	-60.1	174.8	0	0	0	110.1	D54 K58 L674 P676	D54-I56 PolarHBondContact O-N 2.89Å; D54-I56 PolarHBondContact OD1-N 3.33Å; I56-K58 PolarHBondContact O-N 3.48Å; I56-L674 CarbonylContact C-O 3.55Å; I56-L674 WeakPolarHBondContact CA-O 3.15Å; I56-P676 HydrophobicContact CG2-CB 3.72Å; I56-P676 HydrophobicContact CG2-CG 4.44Å
57	C	96.3	Very high	89.5	Confident	22 Å²	22	73.8 Å²	73.8	15%	0.149	40%	0.402	C	S	.	.			trans	-73.3	122.9	174.2	-174.5	0	0	0	0	111.2	S59 C62 K673 L674 P676	C57-S59 PolarHBondContact SG-OG 2.83Å; C57-C62 HydrophobicContact CB-CB 3.66Å; C57-C62 WeakPolarHBondContact CB-SG 3.29Å; C57-C62 WeakPolarHBondContact SG-CB 3.41Å; C57-C62 CovalentContact SG-SG 2.03Å; C57-C62 PolarHBondContact SG-SG 3.46Å; C57-K673 HydrophobicContact CB-CB 4.06Å; C57-L674 PolarHBondContact N-O 3.26Å; C57-P676 VanDerWaalsContact O-CD 3.3Å; C57-P676 WeakPolarHBondContact O-CD 3.5Å
58	K	95.8	Very high	90.4	Very high	129 Å²	129	73.7 Å²	73.7	56%	0.561	39%	0.391	S	S	*	.			trans	-113.9	12.3	-178.6	-62.8	167	-172.5	164	0	113.2	D54 I56	D54-K58 VanDerWaalsContact OD1-CE 3.31Å; D54-K58 WeakPolarHBondContact OD1-CE 3.32Å; D54-K58 IonicContact OD1-NZ 3Å; D54-K58 PolarHBondContact OD1-NZ 3.37Å; D54-K58 WeakPolarHBondContact OD2-CE 3.34Å; D54-K58 IonicContact OD2-NZ 2.7Å; D54-K58 PolarHBondContact OD2-NZ 2.6Å; I56-K58 PolarHBondContact O-N 3.48Å
59	S	97.1	Very high	91.3	Very high	50 Å²	50	68.5 Å²	68.5	35%	0.35	36%	0.364	S	S	.	.	S	Bend	trans	-65.7	155.3	174.9	73.9	0	0	0	0	110.5	C57 D61 C62 I63	C57-S59 PolarHBondContact SG-OG 2.83Å; S59-D61 PolarHBondContact O-N 2.69Å; S59-C62 PolarHBondContact O-N 3.3Å; S59-C62 WeakPolarHBondContact OG-CB 3.5Å; S59-C62 PolarHBondContact OG-N 3.01Å; S59-C62 PolarHBondContact OG-SG 3.5Å; S59-C62 VanDerWaalsContact OG-SG 3.32Å; S59-I63 WeakPolarHBondContact O-CG1 3.46Å; S59-I63 PolarHBondContact O-N 3.47Å; S59-I63 VanDerWaalsContact O-N 3.1Å
60	S	97.4	Very high	92.5	Very high	70 Å²	70	62.4 Å²	62.4	49%	0.49	34%	0.344	S	S	.	.	H	α-helix	trans	-58	-36.6	177.8	-177.3	0	0	0	0	112	I63 K64	S60-I63 PolarHBondContact O-N 2.8Å; S60-K64 VanDerWaalsContact O-CG 3.29Å; S60-K64 WeakPolarHBondContact O-CG 3.38Å; S60-K64 PolarHBondContact O-N 3.34Å; S60-K64 WeakPolarHBondContact OG-CE 3.42Å
61	D	96.8	Very high	93.8	Very high	49 Å²	49	63.9 Å²	63.9	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-75.1	-36.8	-176.4	-56.3	-60.6	0	0	0	111.9	S59 I63 K64 S65 Q568	S59-D61 PolarHBondContact O-N 2.69Å; D61-I63 VanDerWaalsContact C-N 3.33Å; D61-I63 PolarHBondContact O-N 2.96Å; D61-K64 PolarHBondContact O-N 2.52Å; D61-K64 IonicContact OD1-NZ 2.69Å; D61-K64 PolarHBondContact OD1-NZ 2.77Å; D61-S65 WeakPolarHBondContact O-CB 3.4Å; D61-S65 PolarHBondContact O-N 3.36Å; D61-S65 PolarHBondContact O-OG 3.16Å; D61-Q568 HydrophobicContact CB-CB 3.87Å
62	C	97.8	Very high	95.1	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.027	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-43.2	169.1	-75.2	0	0	0	0	111.8	C57 S59 S65 A66 L675	C57-C62 HydrophobicContact CB-CB 3.66Å; C57-C62 WeakPolarHBondContact CB-SG 3.29Å; C57-C62 WeakPolarHBondContact SG-CB 3.41Å; C57-C62 CovalentContact SG-SG 2.03Å; C57-C62 PolarHBondContact SG-SG 3.46Å; S59-C62 PolarHBondContact O-N 3.3Å; S59-C62 WeakPolarHBondContact OG-CB 3.5Å; S59-C62 PolarHBondContact OG-N 3.01Å; S59-C62 PolarHBondContact OG-SG 3.5Å; S59-C62 VanDerWaalsContact OG-SG 3.32Å; C62-S65 PolarHBondContact O-N 2.99Å; C62-A66 VanDerWaalsContact O-CB 3.28Å; C62-A66 WeakPolarHBondContact O-CB 3.01Å; C62-A66 PolarHBondContact O-N 3.31Å; C62-L675 HydrophobicContact CB-CD2 3.72Å
63	I	98.2	Very high	96.2	Very high	88 Å²	88	52.2 Å²	52.2	45%	0.451	28%	0.282	S	S	.	.	H	α-helix	trans	-66.3	-43.1	179.2	-65	164.7	0	0	0	111.1	S59 S60 D61 A66 A67 P676	S59-I63 WeakPolarHBondContact O-CG1 3.46Å; S59-I63 PolarHBondContact O-N 3.47Å; S59-I63 VanDerWaalsContact O-N 3.1Å; S60-I63 PolarHBondContact O-N 2.8Å; D61-I63 VanDerWaalsContact C-N 3.33Å; D61-I63 PolarHBondContact O-N 2.96Å; I63-A66 PolarHBondContact O-N 3.09Å; I63-A67 WeakPolarHBondContact O-CB 3.45Å; I63-A67 PolarHBondContact O-N 3.37Å; I63-P676 HydrophobicContact CG1-CG 4.11Å
64	K	98.2	Very high	97.1	Very high	127 Å²	127	50.2 Å²	50.2	55%	0.552	27%	0.271	S	S	*	.	H	α-helix	trans	-59.5	-48.1	175.4	-73.2	169.4	-171.9	166.2	0	111.2	S60 D61 A67 R68	S60-K64 VanDerWaalsContact O-CG 3.29Å; S60-K64 WeakPolarHBondContact O-CG 3.38Å; S60-K64 PolarHBondContact O-N 3.34Å; S60-K64 WeakPolarHBondContact OG-CE 3.42Å; D61-K64 PolarHBondContact O-N 2.52Å; D61-K64 IonicContact OD1-NZ 2.69Å; D61-K64 PolarHBondContact OD1-NZ 2.77Å; K64-A67 PolarHBondContact O-N 2.96Å; K64-R68 PolarHBondContact O-N 2.92Å; K64-R68 VanDerWaalsContact O-N 3.09Å
65	S	98.3	Very high	97.6	Very high	12 Å²	12	51 Å²	51	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-44.4	179	-68.5	0	0	0	0	112.1	D61 C62 R68 L69	D61-S65 WeakPolarHBondContact O-CB 3.4Å; D61-S65 PolarHBondContact O-N 3.36Å; D61-S65 PolarHBondContact O-OG 3.16Å; C62-S65 PolarHBondContact O-N 2.99Å; S65-R68 PolarHBondContact O-N 3.4Å; S65-L69 VanDerWaalsContact O-CG 3.25Å; S65-L69 WeakPolarHBondContact O-CG 3.23Å; S65-L69 PolarHBondContact O-N 3.28Å
66	A	98.5	Very high	97.9	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-61.9	-46.5	176.5	0	0	0	0	0	112	C62 I63 R68 L69 I70 L675 P676 L678	C62-A66 VanDerWaalsContact O-CB 3.28Å; C62-A66 WeakPolarHBondContact O-CB 3.01Å; C62-A66 PolarHBondContact O-N 3.31Å; I63-A66 PolarHBondContact O-N 3.09Å; A66-R68 VanDerWaalsContact C-N 3.34Å; A66-R68 PolarHBondContact O-N 2.98Å; A66-L69 PolarHBondContact O-N 3.49Å; A66-I70 WeakPolarHBondContact O-CB 3.42Å; A66-I70 WeakPolarHBondContact O-CD1 3.45Å; A66-I70 VanDerWaalsContact O-CG1 3.24Å; A66-I70 WeakPolarHBondContact O-CG1 3.26Å; A66-I70 PolarHBondContact O-N 2.71Å; A66-L675 HydrophobicContact CB-CB 4.25Å; A66-L675 HydrophobicContact CB-CD1 4.47Å; A66-P676 HydrophobicContact CB-CG 4.29Å; A66-P676 WeakPolarHBondContact CB-O 3.38Å; A66-L678 HydrophobicContact CB-CD1 4.12Å
67	A	98.5	Very high	98	Very high	37 Å²	37	54 Å²	54	31%	0.306	30%	0.304	S	S	.	.	H	α-helix	trans	-58.3	-45.1	178.2	0	0	0	0	0	111.9	I63 K64 Q71	I63-A67 WeakPolarHBondContact O-CB 3.45Å; I63-A67 PolarHBondContact O-N 3.37Å; K64-A67 PolarHBondContact O-N 2.96Å; A67-Q71 WeakPolarHBondContact O-CB 3.44Å; A67-Q71 WeakPolarHBondContact O-CG 3.29Å; A67-Q71 PolarHBondContact O-N 3.36Å
68	R	98.6	Very high	98.1	Very high	48 Å²	48	58.5 Å²	58.5	18%	0.181	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-46	175.2	174.1	-132.4	48.1	161.1	-20.7	111.9	K64 S65 A66 I70 Q71 N72 N689	K64-R68 PolarHBondContact O-N 2.92Å; K64-R68 VanDerWaalsContact O-N 3.09Å; S65-R68 PolarHBondContact O-N 3.4Å; A66-R68 VanDerWaalsContact C-N 3.34Å; A66-R68 PolarHBondContact O-N 2.98Å; R68-I70 PolarHBondContact O-N 3.36Å; R68-Q71 PolarHBondContact O-N 3.48Å; R68-N72 WeakPolarHBondContact O-CB 3.46Å; R68-N72 PolarHBondContact O-N 3.17Å; R68-N689 VanDerWaalsContact CZ-OD1 3.27Å; R68-N689 PolarHBondContact NH1-OD1 2.88Å; R68-N689 PolarHBondContact NH2-OD1 2.97Å
69	L	98.8	Very high	98.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.4	-52	178.7	-72.4	164.2	0	0	0	111.3	S65 A66 Q71 N72 M73 L573 L675 L678 L685 L688 Q692	S65-L69 VanDerWaalsContact O-CG 3.25Å; S65-L69 WeakPolarHBondContact O-CG 3.23Å; S65-L69 PolarHBondContact O-N 3.28Å; A66-L69 PolarHBondContact O-N 3.49Å; L69-Q71 PolarHBondContact O-N 3.43Å; L69-N72 PolarHBondContact O-N 3.17Å; L69-M73 WeakPolarHBondContact O-CG 3.46Å; L69-M73 PolarHBondContact O-N 3.09Å; L69-M73 VanDerWaalsContact O-N 3.14Å; L69-L573 HydrophobicContact CD1-CD1 4.47Å; L69-L573 HydrophobicContact CD1-CD2 4.08Å; L69-L675 HydrophobicContact CD1-CD1 3.66Å; L69-L678 HydrophobicContact CB-CD1 3.93Å; L69-L678 HydrophobicContact CD1-CD1 3.74Å; L69-L678 HydrophobicContact CG-CD1 4.5Å; L69-L685 HydrophobicContact CD1-CD2 4.11Å; L69-L688 HydrophobicContact CB-CD2 4.33Å; L69-L688 HydrophobicContact CD2-CD2 3.86Å; L69-L688 HydrophobicContact CD2-CG 3.88Å; L69-Q692 PolarHBondContact O-NE2 3.37Å
70	I	98.7	Very high	98.3	Very high	72 Å²	72	51.2 Å²	51.2	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-44.2	-179.6	-66.7	164.7	0	0	0	111	A66 R68 M73 G677 L678	A66-I70 WeakPolarHBondContact O-CB 3.42Å; A66-I70 WeakPolarHBondContact O-CD1 3.45Å; A66-I70 VanDerWaalsContact O-CG1 3.24Å; A66-I70 WeakPolarHBondContact O-CG1 3.26Å; A66-I70 PolarHBondContact O-N 2.71Å; R68-I70 PolarHBondContact O-N 3.36Å; I70-M73 WeakPolarHBondContact O-CG 3.37Å; I70-G677 WeakPolarHBondContact CD1-O 3.43Å; I70-L678 HydrophobicContact CD1-CD2 4.44Å; I70-L678 HydrophobicContact CD1-CG 4.08Å; I70-L678 HydrophobicContact CG1-CD1 4.28Å; I70-L678 HydrophobicContact CG1-CD2 3.56Å; I70-L678 HydrophobicContact CG1-CG 3.7Å
71	Q	98.6	Very high	98.3	Very high	109 Å²	109	50.5 Å²	50.5	51%	0.509	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-49.7	180	-75	169.9	21.7	0	0	110	A67 R68 L69 M73 R94	A67-Q71 WeakPolarHBondContact O-CB 3.44Å; A67-Q71 WeakPolarHBondContact O-CG 3.29Å; A67-Q71 PolarHBondContact O-N 3.36Å; R68-Q71 PolarHBondContact O-N 3.48Å; L69-Q71 PolarHBondContact O-N 3.43Å; Q71-M73 PolarHBondContact O-N 2.95Å; Q71-R94 PolarHBondContact O-NH1 2.97Å; Q71-R94 PolarHBondContact O-NH2 3.08Å
72	N	98.8	Very high	98.4	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.064	29%	0.285	C	S	.	.	H	α-helix	trans	-70	-33	-171.8	-72.6	-14.8	0	0	0	113.8	R68 L69 A87 C88 G89 G90 W91 Q692	R68-N72 WeakPolarHBondContact O-CB 3.46Å; R68-N72 PolarHBondContact O-N 3.17Å; L69-N72 PolarHBondContact O-N 3.17Å; N72-A87 CarbonylContact C-O 3.58Å; N72-C88 CarbonylContact O-C 3.57Å; N72-C88 VanDerWaalsContact O-CA 3.3Å; N72-C88 WeakPolarHBondContact O-CA 3.44Å; N72-G89 PolarHBondContact O-N 3.3Å; N72-G90 CarbonylContact O-C 3.39Å; N72-G90 WeakPolarHBondContact O-CA 3.49Å; N72-G90 PolarHBondContact O-N 2.91Å; N72-W91 HydrophobicContact CB-CB 4.24Å; N72-W91 PolarHBondContact O-N 3.33Å; N72-Q692 HydrophobicContact CB-CG 4.31Å; N72-Q692 PolarHBondContact ND2-OE1 3.37Å
73	M	98.5	Very high	98.5	Very high	22 Å²	22	50.2 Å²	50.2	11%	0.108	28%	0.284	C	S	.	.			trans	-74.5	158.2	-178.6	71.3	-176	-61.7	0	0	113.6	L69 I70 Q71 A75 Y86 A87 L678 L688	L69-M73 WeakPolarHBondContact O-CG 3.46Å; L69-M73 PolarHBondContact O-N 3.09Å; L69-M73 VanDerWaalsContact O-N 3.14Å; I70-M73 WeakPolarHBondContact O-CG 3.37Å; Q71-M73 PolarHBondContact O-N 2.95Å; M73-A75 HydrophobicContact CE-CB 4.24Å; M73-Y86 CarbonylContact C-O 3.59Å; M73-Y86 WeakPolarHBondContact CA-O 3.33Å; M73-Y86 WeakPolarHBondContact CB-O 3.46Å; M73-Y86 HydrophobicContact CE-CD2 4.39Å; M73-Y86 HydrophobicContact CE-CE1 3.89Å; M73-Y86 HydrophobicContact CE-CE2 3.57Å; M73-Y86 WeakPolarHBondContact CE-OH 3.45Å; M73-A87 WeakPolarHBondContact CA-O 3.41Å; M73-A87 PolarHBondContact N-O 2.94Å; M73-L678 HydrophobicContact SD-CD2 3.86Å; M73-L688 HydrophobicContact CB-CD1 4.48Å; M73-L688 HydrophobicContact SD-CD2 4.26Å
74	D	98.7	Very high	98.5	Very high	51 Å²	51	46.9 Å²	46.9	27%	0.273	27%	0.266	S	S	.	.			trans	-118.8	95.9	165.7	-179.9	3.5	0	0	0	109	T76 A77 Y86	D74-T76 PolarHBondContact O-N 3.18Å; D74-T76 VanDerWaalsContact O-N 3.09Å; D74-T76 WeakPolarHBondContact OD1-CB 3.39Å; D74-T76 PolarHBondContact OD1-N 2.99Å; D74-T76 PolarHBondContact OD1-OG1 3.37Å; D74-T76 PolarHBondContact OD2-OG1 3.01Å; D74-A77 PolarHBondContact O-N 3.43Å; D74-A77 VanDerWaalsContact O-N 3.14Å; D74-Y86 PolarHBondContact N-O 3.1Å
75	A	97.7	Very high	98.5	Very high	80 Å²	80	45.6 Å²	45.6	66%	0.661	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-6.3	-179.5	0	0	0	0	0	113.7	M73	M73-A75 HydrophobicContact CE-CB 4.24Å
76	T	98.2	Very high	98.6	Very high	127 Å²	127	46 Å²	46	78%	0.779	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-17.9	174.4	73.8	0	0	0	0	113	D74	D74-T76 PolarHBondContact O-N 3.18Å; D74-T76 VanDerWaalsContact O-N 3.09Å; D74-T76 WeakPolarHBondContact OD1-CB 3.39Å; D74-T76 PolarHBondContact OD1-N 2.99Å; D74-T76 PolarHBondContact OD1-OG1 3.37Å; D74-T76 PolarHBondContact OD2-OG1 3.01Å
77	A	98.3	Very high	98.6	Very high	22 Å²	22	45.9 Å²	45.9	18%	0.182	26%	0.26	C	S	.	.	S	Bend	trans	-83.1	137.9	172.9	0	0	0	0	0	110.6	D74 P79 K85 Y86	D74-A77 PolarHBondContact O-N 3.43Å; D74-A77 VanDerWaalsContact O-N 3.14Å; A77-P79 WeakPolarHBondContact O-CD 3.22Å; A77-K85 HydrophobicContact CB-CB 4.17Å; A77-Y86 VanDerWaalsContact O-CD2 3.25Å; A77-Y86 WeakPolarHBondContact O-CD2 3.49Å
78	E	98.4	Very high	98.6	Very high	118 Å²	118	44.1 Å²	44.1	55%	0.551	25%	0.245	S	C	*	.			trans	-75.7	119.5	178.1	178.4	60.4	-140.7	0	0	110.3	C80 A81 D82	E78-C80 PolarHBondContact O-N 3.29Å; E78-C80 VanDerWaalsContact O-N 3.14Å; E78-A81 HydrophobicContact CB-CB 3.94Å; E78-A81 HydrophobicContact CG-CB 4.18Å; E78-A81 WeakPolarHBondContact O-CB 3.21Å; E78-A81 PolarHBondContact O-N 3.38Å; E78-D82 PolarHBondContact O-N 3.36Å
79	P	98.6	Very high	98.6	Very high	17 Å²	17	42.4 Å²	42.4	11%	0.11	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.5	-174.9	21.5	-33.6	0	0	0	113.5	A77 A81 F83 Y86 F733 M741	A77-P79 WeakPolarHBondContact O-CD 3.22Å; P79-A81 VanDerWaalsContact C-N 3.33Å; P79-F83 HydrophobicContact CB-CD2 3.64Å; P79-F83 HydrophobicContact CB-CE2 3.84Å; P79-Y86 HydrophobicContact CB-CD1 3.93Å; P79-Y86 HydrophobicContact CB-CD2 4.17Å; P79-Y86 HydrophobicContact CB-CE1 4.21Å; P79-Y86 HydrophobicContact CB-CE2 4.41Å; P79-Y86 HydrophobicContact CB-CG 3.88Å; P79-Y86 HydrophobicContact CG-CD2 4.47Å; P79-Y86 HydrophobicContact CG-CE2 4.42Å; P79-F733 HydrophobicContact CB-CD1 3.75Å; P79-F733 HydrophobicContact CB-CE1 4.17Å; P79-F733 HydrophobicContact CB-CG 4.42Å; P79-F733 HydrophobicContact CG-CD1 3.83Å; P79-F733 HydrophobicContact CG-CE1 4.45Å; P79-M741 WeakPolarHBondContact O-CG 3.48Å
80	C	98.7	Very high	98.6	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.061	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-6.4	178.6	-63	0	0	0	0	114.4	E78 C735 S739 M741	E78-C80 PolarHBondContact O-N 3.29Å; E78-C80 VanDerWaalsContact O-N 3.14Å; C80-C735 VanDerWaalsContact CA-SG 3.59Å; C80-C735 HydrophobicContact CB-CB 3.69Å; C80-C735 WeakPolarHBondContact CB-SG 3.47Å; C80-C735 WeakPolarHBondContact SG-CA 3.3Å; C80-C735 WeakPolarHBondContact SG-CB 3.32Å; C80-C735 CovalentContact SG-SG 2.04Å; C80-C735 PolarHBondContact SG-SG 3.48Å; C80-S739 WeakPolarHBondContact O-CB 3.44Å; C80-S739 PolarHBondContact O-OG 3.2Å; C80-S739 VanDerWaalsContact O-OG 3.1Å; C80-M741 WeakPolarHBondContact O-CB 3.03Å; C80-M741 WeakPolarHBondContact O-CG 3.21Å; C80-M741 PolarHBondContact O-N 3.41Å
81	A	98.7	Very high	98.6	Very high	54 Å²	54	39.8 Å²	39.8	45%	0.446	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-43.9	176.7	0	0	0	0	0	112.2	E78 P79 Y740	E78-A81 HydrophobicContact CB-CB 3.94Å; E78-A81 HydrophobicContact CG-CB 4.18Å; E78-A81 WeakPolarHBondContact O-CB 3.21Å; E78-A81 PolarHBondContact O-N 3.38Å; P79-A81 VanDerWaalsContact C-N 3.33Å; A81-Y740 WeakPolarHBondContact O-CB 3.42Å; A81-Y740 WeakPolarHBondContact O-CD1 3.05Å
82	D	98.6	Very high	98.6	Very high	47 Å²	47	36.7 Å²	36.7	25%	0.251	22%	0.217	S	C	.	.			trans	-155.5	99.4	172.8	-175.3	-28.1	0	0	0	109.2	E78 F84 K85 Y86	E78-D82 PolarHBondContact O-N 3.36Å; D82-F84 VanDerWaalsContact C-N 3.28Å; D82-F84 PolarHBondContact O-N 3.29Å; D82-F84 WeakPolarHBondContact OD1-CA 3.45Å; D82-F84 WeakPolarHBondContact OD1-CB 3.38Å; D82-F84 PolarHBondContact OD1-N 3.02Å; D82-K85 HydrophobicContact CB-CB 4.11Å; D82-K85 HydrophobicContact CB-CG 4.17Å; D82-K85 VanDerWaalsContact CG-CG 3.46Å; D82-K85 PolarHBondContact O-N 3.4Å; D82-K85 PolarHBondContact OD1-N 3.09Å; D82-K85 WeakPolarHBondContact OD2-CG 3.39Å; D82-Y86 PolarHBondContact O-N 3.07Å
83	F	98.9	Very high	98.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-72	-23.2	-176.9	-160.2	-106	0	0	0	113	P79 Y86 A87 F687 A691 I719 L723 F729 F733 M741	P79-F83 HydrophobicContact CB-CD2 3.64Å; P79-F83 HydrophobicContact CB-CE2 3.84Å; F83-Y86 AromaticContact CD2-CD1 3.82Å; F83-Y86 HydrophobicContact CD2-CD1 3.82Å; F83-Y86 HydrophobicContact CD2-CG 4.49Å; F83-Y86 AromaticContact CE2-CD1 3.46Å; F83-Y86 HydrophobicContact CE2-CD1 3.46Å; F83-Y86 VanDerWaalsContact CE2-CD1 3.46Å; F83-Y86 AromaticContact CE2-CE1 3.78Å; F83-Y86 HydrophobicContact CE2-CE1 3.78Å; F83-Y86 HydrophobicContact CE2-CG 4.48Å; F83-Y86 HydrophobicContact CZ-CD1 4.07Å; F83-Y86 HydrophobicContact CZ-CE1 4.28Å; F83-A87 HydrophobicContact CD1-CB 4.44Å; F83-A87 HydrophobicContact CE1-CB 4.34Å; F83-A87 WeakPolarHBondContact O-CB 3.39Å; F83-A87 PolarHBondContact O-N 3.36Å; F83-F687 HydrophobicContact CE1-CB 4.37Å; F83-F687 HydrophobicContact CZ-CB 4.3Å; F83-A691 HydrophobicContact CD1-CB 3.75Å; F83-A691 HydrophobicContact CE1-CB 3.56Å; F83-I719 HydrophobicContact CD1-CG2 4.05Å; F83-L723 HydrophobicContact CB-CD1 4.28Å; F83-L723 HydrophobicContact CD1-CD1 3.22Å; F83-L723 HydrophobicContact CE1-CD1 3.71Å; F83-L723 HydrophobicContact CG-CD1 3.92Å; F83-F729 HydrophobicContact CB-CZ 4.09Å; F83-F729 HydrophobicContact CD1-CE2 4.05Å; F83-F729 HydrophobicContact CD1-CZ 4.45Å; F83-F729 AromaticContact CD2-CE2 3.5Å; F83-F729 HydrophobicContact CD2-CE2 3.5Å; F83-F729 VanDerWaalsContact CD2-CE2 3.5Å; F83-F729 AromaticContact CD2-CZ 3.5Å; F83-F729 HydrophobicContact CD2-CZ 3.5Å; F83-F729 HydrophobicContact CE1-CE2 4.05Å; F83-F729 AromaticContact CE2-CE2 3.53Å; F83-F729 HydrophobicContact CE2-CE2 3.53Å; F83-F729 AromaticContact CE2-CZ 3.99Å; F83-F729 HydrophobicContact CE2-CZ 3.99Å; F83-F729 AromaticContact CG-CE2 3.76Å; F83-F729 HydrophobicContact CG-CE2 3.76Å; F83-F729 AromaticContact CG-CZ 3.76Å; F83-F729 HydrophobicContact CG-CZ 3.76Å; F83-F729 AromaticContact CZ-CE2 3.8Å; F83-F729 HydrophobicContact CZ-CE2 3.8Å; F83-F733 HydrophobicContact CE2-CD1 4.22Å; F83-F733 HydrophobicContact CE2-CD2 4.27Å; F83-F733 AromaticContact CE2-CE1 3.74Å; F83-F733 HydrophobicContact CE2-CE1 3.74Å; F83-F733 AromaticContact CE2-CE2 3.79Å; F83-F733 HydrophobicContact CE2-CE2 3.79Å; F83-F733 HydrophobicContact CE2-CG 4.46Å; F83-F733 AromaticContact CE2-CZ 3.5Å; F83-F733 HydrophobicContact CE2-CZ 3.5Å; F83-F733 VanDerWaalsContact CE2-CZ 3.5Å; F83-F733 HydrophobicContact CZ-CE1 4.32Å; F83-F733 AromaticContact CZ-CE2 3.85Å; F83-F733 HydrophobicContact CZ-CE2 3.85Å; F83-F733 AromaticContact CZ-CZ 3.64Å; F83-F733 HydrophobicContact CZ-CZ 3.64Å; F83-M741 HydrophobicContact CB-CE 3.66Å; F83-M741 HydrophobicContact CB-CG 4.35Å; F83-M741 HydrophobicContact CB-SD 4.14Å
84	F	98.9	Very high	98.6	Very high	19 Å²	19	50.2 Å²	50.2	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-68.4	-44.9	173.8	168.8	-119	0	0	0	110.6	D82 A87 C88 L92 N716 I719 I720	D82-F84 VanDerWaalsContact C-N 3.28Å; D82-F84 PolarHBondContact O-N 3.29Å; D82-F84 WeakPolarHBondContact OD1-CA 3.45Å; D82-F84 WeakPolarHBondContact OD1-CB 3.38Å; D82-F84 PolarHBondContact OD1-N 3.02Å; F84-A87 PolarHBondContact O-N 2.87Å; F84-C88 HydrophobicContact CD2-CB 3.92Å; F84-C88 HydrophobicContact CE2-CB 3.77Å; F84-C88 VanDerWaalsContact O-CB 3.28Å; F84-C88 WeakPolarHBondContact O-CB 3.47Å; F84-C88 PolarHBondContact O-N 3.21Å; F84-L92 HydrophobicContact CE1-CD1 3.83Å; F84-L92 HydrophobicContact CE2-CD1 4.48Å; F84-L92 HydrophobicContact CZ-CD1 3.75Å; F84-L92 HydrophobicContact CZ-CD2 4.25Å; F84-L92 HydrophobicContact CZ-CG 4.45Å; F84-N716 HydrophobicContact CB-CB 4.46Å; F84-N716 HydrophobicContact CD1-CB 3.55Å; F84-N716 HydrophobicContact CD2-CB 4Å; F84-N716 HydrophobicContact CE1-CB 3.59Å; F84-N716 HydrophobicContact CE2-CB 4.01Å; F84-N716 HydrophobicContact CG-CB 3.74Å; F84-N716 HydrophobicContact CZ-CB 3.81Å; F84-I719 HydrophobicContact CB-CD1 4.2Å; F84-I719 HydrophobicContact CD2-CD1 3.49Å; F84-I719 VanDerWaalsContact CD2-CD1 3.49Å; F84-I719 HydrophobicContact CE2-CD1 4.3Å; F84-I719 HydrophobicContact CG-CD1 4.28Å; F84-I720 HydrophobicContact CB-CD1 4.36Å; F84-I720 HydrophobicContact CB-CG1 4.4Å
85	K	98.7	Very high	98.6	Very high	100 Å²	100	50.1 Å²	50.1	44%	0.435	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-42.9	174	-68.6	-67	-178.7	-172.2	0	111.8	A77 D82 G89	A77-K85 HydrophobicContact CB-CB 4.17Å; D82-K85 HydrophobicContact CB-CB 4.11Å; D82-K85 HydrophobicContact CB-CG 4.17Å; D82-K85 VanDerWaalsContact CG-CG 3.46Å; D82-K85 PolarHBondContact O-N 3.4Å; D82-K85 PolarHBondContact OD1-N 3.09Å; D82-K85 WeakPolarHBondContact OD2-CG 3.39Å; K85-G89 WeakPolarHBondContact O-CA 3.31Å; K85-G89 PolarHBondContact O-N 2.91Å
86	Y	98.9	Very high	98.6	Very high	20 Å²	20	52.4 Å²	52.4	8%	0.078	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-48.3	174.3	175	-101.1	0	0	0	112.4	M73 D74 A77 P79 D82 F83 L688 F733	M73-Y86 CarbonylContact C-O 3.59Å; M73-Y86 WeakPolarHBondContact CA-O 3.33Å; M73-Y86 WeakPolarHBondContact CB-O 3.46Å; M73-Y86 HydrophobicContact CE-CD2 4.39Å; M73-Y86 HydrophobicContact CE-CE1 3.89Å; M73-Y86 HydrophobicContact CE-CE2 3.57Å; M73-Y86 WeakPolarHBondContact CE-OH 3.45Å; D74-Y86 PolarHBondContact N-O 3.1Å; A77-Y86 VanDerWaalsContact O-CD2 3.25Å; A77-Y86 WeakPolarHBondContact O-CD2 3.49Å; P79-Y86 HydrophobicContact CB-CD1 3.93Å; P79-Y86 HydrophobicContact CB-CD2 4.17Å; P79-Y86 HydrophobicContact CB-CE1 4.21Å; P79-Y86 HydrophobicContact CB-CE2 4.41Å; P79-Y86 HydrophobicContact CB-CG 3.88Å; P79-Y86 HydrophobicContact CG-CD2 4.47Å; P79-Y86 HydrophobicContact CG-CE2 4.42Å; D82-Y86 PolarHBondContact O-N 3.07Å; F83-Y86 AromaticContact CD2-CD1 3.82Å; F83-Y86 HydrophobicContact CD2-CD1 3.82Å; F83-Y86 HydrophobicContact CD2-CG 4.49Å; F83-Y86 AromaticContact CE2-CD1 3.46Å; F83-Y86 HydrophobicContact CE2-CD1 3.46Å; F83-Y86 VanDerWaalsContact CE2-CD1 3.46Å; F83-Y86 AromaticContact CE2-CE1 3.78Å; F83-Y86 HydrophobicContact CE2-CE1 3.78Å; F83-Y86 HydrophobicContact CE2-CG 4.48Å; F83-Y86 HydrophobicContact CZ-CD1 4.07Å; F83-Y86 HydrophobicContact CZ-CE1 4.28Å; Y86-L688 HydrophobicContact CD1-CD1 4.38Å; Y86-L688 HydrophobicContact CE1-CD1 4.11Å; Y86-F733 HydrophobicContact CE1-CE1 4.09Å
87	A	98.9	Very high	98.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-77.5	-29.4	-174.6	0	0	0	0	0	114.2	N72 M73 F83 F84 L688 A691 Q692	N72-A87 CarbonylContact C-O 3.58Å; M73-A87 WeakPolarHBondContact CA-O 3.41Å; M73-A87 PolarHBondContact N-O 2.94Å; F83-A87 HydrophobicContact CD1-CB 4.44Å; F83-A87 HydrophobicContact CE1-CB 4.34Å; F83-A87 WeakPolarHBondContact O-CB 3.39Å; F83-A87 PolarHBondContact O-N 3.36Å; F84-A87 PolarHBondContact O-N 2.87Å; A87-L688 HydrophobicContact CB-CD1 3.79Å; A87-A691 HydrophobicContact CB-CB 3.49Å; A87-A691 VanDerWaalsContact CB-CB 3.49Å; A87-Q692 HydrophobicContact CB-CG 4.41Å; A87-Q692 WeakPolarHBondContact O-CG 3.47Å; A87-Q692 PolarHBondContact O-NE2 3.42Å
88	C	98.9	Very high	98.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-125.1	-3.4	-169	-60.5	0	0	0	0	115	N72 F84 G90 W91 L92 C695	N72-C88 CarbonylContact O-C 3.57Å; N72-C88 VanDerWaalsContact O-CA 3.3Å; N72-C88 WeakPolarHBondContact O-CA 3.44Å; F84-C88 HydrophobicContact CD2-CB 3.92Å; F84-C88 HydrophobicContact CE2-CB 3.77Å; F84-C88 VanDerWaalsContact O-CB 3.28Å; F84-C88 WeakPolarHBondContact O-CB 3.47Å; F84-C88 PolarHBondContact O-N 3.21Å; C88-G90 VanDerWaalsContact C-N 3.29Å; C88-G90 PolarHBondContact O-N 3.38Å; C88-W91 WeakPolarHBondContact O-CA 3.42Å; C88-W91 WeakPolarHBondContact O-CB 3.22Å; C88-W91 PolarHBondContact O-N 3.19Å; C88-L92 HydrophobicContact CB-CD1 4.46Å; C88-L92 WeakPolarHBondContact O-CG 3.44Å; C88-L92 PolarHBondContact O-N 3.48Å; C88-C695 WeakPolarHBondContact CA-SG 3.49Å; C88-C695 HydrophobicContact CB-CB 3.82Å; C88-C695 WeakPolarHBondContact CB-SG 3.4Å; C88-C695 WeakPolarHBondContact SG-CA 2.98Å; C88-C695 WeakPolarHBondContact SG-CB 3.03Å; C88-C695 CovalentContact SG-SG 2.04Å; C88-C695 PolarHBondContact SG-SG 2.89Å
89	G	98.8	Very high	98.6	Very high	11 Å²	11	47 Å²	47	11%	0.113	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-37.8	-174.2	0	0	0	0	0	113.6	N72 K85 L92 K93	N72-G89 PolarHBondContact O-N 3.3Å; K85-G89 WeakPolarHBondContact O-CA 3.31Å; K85-G89 PolarHBondContact O-N 2.91Å; G89-L92 PolarHBondContact O-N 3.16Å; G89-K93 WeakPolarHBondContact O-CB 3.06Å; G89-K93 PolarHBondContact O-N 3.05Å; G89-K93 VanDerWaalsContact O-N 3.07Å
90	G	98.8	Very high	98.6	Very high	10 Å²	10	48.5 Å²	48.5	10%	0.103	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-42.3	173.2	0	0	0	0	0	112.5	N72 C88 K93 R94	N72-G90 CarbonylContact O-C 3.39Å; N72-G90 WeakPolarHBondContact O-CA 3.49Å; N72-G90 PolarHBondContact O-N 2.91Å; C88-G90 VanDerWaalsContact C-N 3.29Å; C88-G90 PolarHBondContact O-N 3.38Å; G90-K93 PolarHBondContact O-N 3.25Å; G90-R94 VanDerWaalsContact O-CZ 3.25Å; G90-R94 PolarHBondContact O-N 3.11Å; G90-R94 PolarHBondContact O-NH1 3.35Å; G90-R94 PolarHBondContact O-NH2 2.81Å
91	W	98.7	Very high	98.6	Very high	8 Å²	8	49 Å²	49	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-47.5	175.5	-174.2	98.5	0	0	0	111.5	N72 C88 K93 R94 N95 Y104 I109 C695 T697	N72-W91 HydrophobicContact CB-CB 4.24Å; N72-W91 PolarHBondContact O-N 3.33Å; C88-W91 WeakPolarHBondContact O-CA 3.42Å; C88-W91 WeakPolarHBondContact O-CB 3.22Å; C88-W91 PolarHBondContact O-N 3.19Å; W91-K93 PolarHBondContact O-N 3.48Å; W91-R94 PolarHBondContact O-N 3.32Å; W91-R94 VanDerWaalsContact O-N 3.15Å; W91-N95 HydrophobicContact CD2-CB 4.25Å; W91-N95 HydrophobicContact CE3-CB 4.33Å; W91-N95 HydrophobicContact CH2-CB 3.89Å; W91-N95 HydrophobicContact CZ2-CB 3.85Å; W91-N95 HydrophobicContact CZ3-CB 4.15Å; W91-N95 PolarHBondContact NE1-ND2 3.27Å; W91-N95 WeakPolarHBondContact O-CB 3.24Å; W91-N95 PolarHBondContact O-N 2.76Å; W91-N95 PolarHBondContact O-ND2 3.15Å; W91-Y104 AromaticContact CH2-CD1 3.92Å; W91-Y104 HydrophobicContact CH2-CD1 3.92Å; W91-Y104 WeakPolarHBondContact CH2-O 3.25Å; W91-Y104 AromaticContact CZ2-CD1 3.77Å; W91-Y104 HydrophobicContact CZ2-CD1 3.77Å; W91-Y104 HydrophobicContact CZ2-CE1 4.27Å; W91-I109 HydrophobicContact CZ2-CD1 4.13Å; W91-C695 HydrophobicContact CD2-CB 4.38Å; W91-C695 HydrophobicContact CG-CB 4.31Å; W91-T697 HydrophobicContact CZ3-CG2 4.27Å
92	L	98.6	Very high	98.5	Very high	43 Å²	43	47.4 Å²	47.4	23%	0.225	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-32.8	179.8	-68.7	168.7	0	0	0	112.4	F84 C88 G89 T697	F84-L92 HydrophobicContact CE1-CD1 3.83Å; F84-L92 HydrophobicContact CE2-CD1 4.48Å; F84-L92 HydrophobicContact CZ-CD1 3.75Å; F84-L92 HydrophobicContact CZ-CD2 4.25Å; F84-L92 HydrophobicContact CZ-CG 4.45Å; C88-L92 HydrophobicContact CB-CD1 4.46Å; C88-L92 WeakPolarHBondContact O-CG 3.44Å; C88-L92 PolarHBondContact O-N 3.48Å; G89-L92 PolarHBondContact O-N 3.16Å; L92-T697 HydrophobicContact CD2-CG2 4.48Å
93	K	98.4	Very high	98.5	Very high	189 Å²	189	47.7 Å²	47.7	82%	0.822	24%	0.238	S	C	*	.	H	α-helix	trans	-74.1	-30.6	177.9	-174.5	174.9	179.7	178.3	0	113.2	G89 G90 W91	G89-K93 WeakPolarHBondContact O-CB 3.06Å; G89-K93 PolarHBondContact O-N 3.05Å; G89-K93 VanDerWaalsContact O-N 3.07Å; G90-K93 PolarHBondContact O-N 3.25Å; W91-K93 PolarHBondContact O-N 3.48Å
94	R	98.4	Very high	98.5	Very high	130 Å²	130	49.5 Å²	49.5	49%	0.491	25%	0.245	S	C	.	.	H	α-helix	trans	-91.8	-24	-176.1	-72.1	-169.5	-59.5	-81.9	-11.4	113.9	Q71 G90 W91	Q71-R94 PolarHBondContact O-NH1 2.97Å; Q71-R94 PolarHBondContact O-NH2 3.08Å; G90-R94 VanDerWaalsContact O-CZ 3.25Å; G90-R94 PolarHBondContact O-N 3.11Å; G90-R94 PolarHBondContact O-NH1 3.35Å; G90-R94 PolarHBondContact O-NH2 2.81Å; W91-R94 PolarHBondContact O-N 3.32Å; W91-R94 VanDerWaalsContact O-N 3.15Å
95	N	98.1	Very high	98.5	Very high	49 Å²	49	48.8 Å²	48.8	26%	0.262	24%	0.243	S	C	.	.			trans	-106.4	142.2	-172.4	-67.9	-83.8	0	0	0	111.8	W91	W91-N95 HydrophobicContact CD2-CB 4.25Å; W91-N95 HydrophobicContact CE3-CB 4.33Å; W91-N95 HydrophobicContact CH2-CB 3.89Å; W91-N95 HydrophobicContact CZ2-CB 3.85Å; W91-N95 HydrophobicContact CZ3-CB 4.15Å; W91-N95 PolarHBondContact NE1-ND2 3.27Å; W91-N95 WeakPolarHBondContact O-CB 3.24Å; W91-N95 PolarHBondContact O-N 2.76Å; W91-N95 PolarHBondContact O-ND2 3.15Å
96	V	98.3	Very high	98.4	Very high	127 Å²	127	44.9 Å²	44.9	77%	0.77	23%	0.226	S	C	*	.			trans	-120.4	139.1	169.2	179.2	0	0	0	0	106.7	P98	V96-P98 WeakPolarHBondContact O-CD 3.35Å
97	I	98.6	Very high	98.2	Very high	20 Å²	20	45.3 Å²	45.3	10%	0.103	23%	0.229	C	C	.	.			trans	-59.9	123.6	177.8	-54.8	176	0	0	0	108.5	S101 T697 R699	I97-S101 WeakPolarHBondContact CG2-O 3.43Å; I97-T697 HydrophobicContact CD1-CG2 3.86Å; I97-T697 HydrophobicContact CG1-CG2 3.65Å; I97-R699 HydrophobicContact CD1-CG 3.73Å; I97-R699 HydrophobicContact CG2-CG 4.12Å; I97-R699 PolarHBondContact O-NH2 3.01Å; I97-R699 VanDerWaalsContact O-NH2 3.08Å
98	P	98.6	Very high	98.2	Very high	41 Å²	41	46.5 Å²	46.5	27%	0.266	24%	0.235	S	C	.	.			trans	-56.5	152	175.6	-25.6	34.4	0	0	0	112.4	V96 T100 S101 Y104 R699	V96-P98 WeakPolarHBondContact O-CD 3.35Å; P98-T100 PolarHBondContact O-N 2.9Å; P98-T100 VanDerWaalsContact O-N 3.07Å; P98-S101 PolarHBondContact O-N 3.33Å; P98-Y104 HydrophobicContact CG-CD2 3.97Å; P98-Y104 HydrophobicContact CG-CE1 4.46Å; P98-Y104 HydrophobicContact CG-CE2 3.87Å; P98-Y104 HydrophobicContact CG-CG 4.3Å; P98-R699 PolarHBondContact O-NH2 3.35Å
99	E	98.3	Very high	98.1	Very high	93 Å²	93	48 Å²	48	44%	0.435	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.8	-178.7	-71.8	-54.3	101.7	0	0	114.3	T401 T402 S403 R699	E99-T401 CarbonylContact O-C 3.33Å; E99-T401 WeakPolarHBondContact O-CA 3.49Å; E99-T401 WeakPolarHBondContact O-CB 3.44Å; E99-T402 WeakPolarHBondContact CB-OG1 3.43Å; E99-T402 PolarHBondContact O-N 3.11Å; E99-T402 WeakPolarHBondContact OE2-CB 3.24Å; E99-T402 VanDerWaalsContact OE2-CG2 3.32Å; E99-T402 WeakPolarHBondContact OE2-CG2 3.4Å; E99-T402 PolarHBondContact OE2-OG1 3.35Å; E99-S403 PolarHBondContact O-N 3.46Å; E99-R699 IonicContact OE1-CZ 2.71Å; E99-R699 IonicContact OE1-NH1 3.4Å; E99-R699 IonicContact OE1-NH2 3.4Å; E99-R699 PolarHBondContact OE1-NH2 3.01Å
100	T	97.7	Very high	98.1	Very high	49 Å²	49	48 Å²	48	30%	0.301	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-3.7	178.5	58	0	0	0	0	113.4	P98 T401 E404	P98-T100 PolarHBondContact O-N 2.9Å; P98-T100 VanDerWaalsContact O-N 3.07Å; T100-T401 VanDerWaalsContact C-CG2 3.49Å; T100-E404 WeakPolarHBondContact CG2-O 3.34Å
101	S	98.4	Very high	98.1	Very high	18 Å²	18	51.1 Å²	51.1	13%	0.126	25%	0.249	C	C	.	.			trans	-117	139.2	-172.6	-51.2	0	0	0	0	111.4	I97 P98 R103 R699	I97-S101 WeakPolarHBondContact CG2-O 3.43Å; P98-S101 PolarHBondContact O-N 3.33Å; S101-R103 WeakPolarHBondContact CB-O 3.28Å; S101-R699 WeakPolarHBondContact O-CD 3.26Å; S101-R699 PolarHBondContact O-NE 3.23Å
102	S	98.1	Very high	98	Very high	22 Å²	22	52.6 Å²	52.6	15%	0.154	26%	0.258	C	S	.	.	S	Bend	trans	-90.2	-26.3	179.1	-53.7	0	0	0	0	113.2	Y399 R699 Y702	S102-Y399 WeakPolarHBondContact CA-O 3.4Å; S102-Y399 VanDerWaalsContact CB-O 3.3Å; S102-Y399 WeakPolarHBondContact CB-O 3.4Å; S102-Y399 VanDerWaalsContact OG-CB 3.25Å; S102-Y399 WeakPolarHBondContact OG-CB 3.46Å; S102-Y399 PolarHBondContact OG-O 3.46Å; S102-R699 PolarHBondContact O-N 3.42Å; S102-Y702 VanDerWaalsContact CB-CG 3.41Å
103	R	98.4	Very high	98	Very high	53 Å²	53	55.6 Å²	55.6	20%	0.2	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.8	168.7	60.6	168	-176.5	-136.8	18.4	107.9	S101 D108 T697 Y698 Y702	S101-R103 WeakPolarHBondContact CB-O 3.28Å; R103-D108 IonicContact NE-OD1 3.06Å; R103-D108 PolarHBondContact NE-OD1 3.04Å; R103-D108 VanDerWaalsContact NE-OD1 3.14Å; R103-D108 IonicContact NE-OD2 3.85Å; R103-T697 CarbonylContact C-O 3.58Å; R103-T697 VanDerWaalsContact CA-O 3.28Å; R103-T697 WeakPolarHBondContact CA-O 3.47Å; R103-T697 WeakPolarHBondContact CB-O 3.44Å; R103-Y698 HydrophobicContact CB-CD1 3.69Å; R103-Y698 HydrophobicContact CB-CE1 3.93Å; R103-Y698 HydrophobicContact CB-CG 4.05Å; R103-Y698 HydrophobicContact CG-CE1 4.43Å; R103-Y702 HydrophobicContact CB-CD1 4.09Å; R103-Y702 HydrophobicContact CB-CE1 4.02Å; R103-Y702 HydrophobicContact CG-CD1 4.4Å; R103-Y702 HydrophobicContact CG-CE1 3.88Å; R103-Y702 PolarHBondContact NH1-OH 3.01Å; R103-Y702 VanDerWaalsContact NH1-OH 3.16Å
104	Y	98.6	Very high	98	Very high	38 Å²	38	47 Å²	47	15%	0.149	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	139	173.4	-159.8	-119.6	0	0	0	109.6	W91 P98 D108 I109 G696 T697	W91-Y104 AromaticContact CH2-CD1 3.92Å; W91-Y104 HydrophobicContact CH2-CD1 3.92Å; W91-Y104 WeakPolarHBondContact CH2-O 3.25Å; W91-Y104 AromaticContact CZ2-CD1 3.77Å; W91-Y104 HydrophobicContact CZ2-CD1 3.77Å; W91-Y104 HydrophobicContact CZ2-CE1 4.27Å; P98-Y104 HydrophobicContact CG-CD2 3.97Å; P98-Y104 HydrophobicContact CG-CE1 4.46Å; P98-Y104 HydrophobicContact CG-CE2 3.87Å; P98-Y104 HydrophobicContact CG-CG 4.3Å; Y104-D108 VanDerWaalsContact CA-OD2 3.32Å; Y104-D108 WeakPolarHBondContact CA-OD2 3.39Å; Y104-D108 HydrophobicContact CD2-CB 4.09Å; Y104-I109 HydrophobicContact CE1-CD1 4.11Å; Y104-I109 HydrophobicContact CE1-CG1 3.9Å; Y104-I109 HydrophobicContact CE2-CG1 4.04Å; Y104-G696 CarbonylContact O-C 3.6Å; Y104-G696 WeakPolarHBondContact O-CA 3.21Å; Y104-T697 PolarHBondContact N-O 3.16Å; Y104-T697 PolarHBondContact O-N 3.28Å
105	G	97.9	Very high	98	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.6	-174.6	-174.4	0	0	0	0	0	110.9	F107 D108 I109 C695	G105-F107 VanDerWaalsContact C-N 3.33Å; G105-F107 PolarHBondContact O-N 2.83Å; G105-D108 PolarHBondContact N-OD2 2.92Å; G105-D108 PolarHBondContact O-N 3.29Å; G105-I109 WeakPolarHBondContact O-CG1 3.48Å; G105-I109 PolarHBondContact O-N 2.74Å; G105-C695 CarbonylContact C-O 3.55Å; G105-C695 WeakPolarHBondContact CA-O 3.24Å
106	N	96.3	Very high	98	Very high	18 Å²	18	42.3 Å²	42.3	10%	0.096	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-36.2	-175	-75	-12	0	0	0	113.4	L110 Q692 C695	N106-L110 WeakPolarHBondContact O-CG 3.5Å; N106-L110 PolarHBondContact O-N 3.31Å; N106-L110 VanDerWaalsContact O-N 3.08Å; N106-Q692 PolarHBondContact ND2-O 3.46Å; N106-C695 PolarHBondContact N-O 3.36Å
107	F	96.1	Very high	98.1	Very high	29 Å²	29	38 Å²	38	13%	0.127	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-42.9	171.6	-88.5	-90.8	0	0	0	112.6	G105 R111 V542 I559 F564 V693 W694	G105-F107 VanDerWaalsContact C-N 3.33Å; G105-F107 PolarHBondContact O-N 2.83Å; F107-R111 VanDerWaalsContact O-CG 3.27Å; F107-R111 WeakPolarHBondContact O-CG 3.29Å; F107-R111 PolarHBondContact O-N 3.06Å; F107-R111 VanDerWaalsContact O-N 3.1Å; F107-V542 HydrophobicContact CD1-CG1 4.28Å; F107-I559 HydrophobicContact CE1-CD1 4.41Å; F107-F564 HydrophobicContact CD1-CZ 4.23Å; F107-F564 HydrophobicContact CD2-CZ 4.22Å; F107-F564 HydrophobicContact CE1-CE1 4.35Å; F107-F564 AromaticContact CE1-CZ 3.7Å; F107-F564 HydrophobicContact CE1-CZ 3.7Å; F107-F564 HydrophobicContact CE2-CE1 4.08Å; F107-F564 AromaticContact CE2-CZ 3.69Å; F107-F564 HydrophobicContact CE2-CZ 3.69Å; F107-F564 HydrophobicContact CG-CZ 4.49Å; F107-F564 AromaticContact CZ-CE1 3.73Å; F107-F564 HydrophobicContact CZ-CE1 3.73Å; F107-F564 AromaticContact CZ-CZ 3.41Å; F107-F564 HydrophobicContact CZ-CZ 3.41Å; F107-F564 VanDerWaalsContact CZ-CZ 3.41Å; F107-V693 HydrophobicContact CD2-CG1 4.38Å; F107-V693 HydrophobicContact CE2-CG1 3.55Å; F107-V693 HydrophobicContact CZ-CG1 4.23Å; F107-W694 HydrophobicContact CD2-CE3 4.33Å; F107-W694 HydrophobicContact CD2-CZ3 4.19Å; F107-W694 AromaticContact CE2-CE3 3.8Å; F107-W694 HydrophobicContact CE2-CE3 3.8Å; F107-W694 AromaticContact CE2-CH2 3.89Å; F107-W694 HydrophobicContact CE2-CH2 3.89Å; F107-W694 AromaticContact CE2-CZ3 3.42Å; F107-W694 HydrophobicContact CE2-CZ3 3.42Å; F107-W694 VanDerWaalsContact CE2-CZ3 3.42Å; F107-W694 HydrophobicContact CZ-CH2 4.08Å; F107-W694 AromaticContact CZ-CZ3 3.97Å; F107-W694 HydrophobicContact CZ-CZ3 3.97Å
108	D	97.8	Very high	98.1	Very high	26 Å²	26	37.1 Å²	37.1	14%	0.139	19%	0.189	C	C	.	.	H	α-helix	trans	-71.5	-37.3	-178.3	-52.2	-61.5	0	0	0	110.8	R103 Y104 G105 R111 D112	R103-D108 IonicContact NE-OD1 3.06Å; R103-D108 PolarHBondContact NE-OD1 3.04Å; R103-D108 VanDerWaalsContact NE-OD1 3.14Å; R103-D108 IonicContact NE-OD2 3.85Å; Y104-D108 VanDerWaalsContact CA-OD2 3.32Å; Y104-D108 WeakPolarHBondContact CA-OD2 3.39Å; Y104-D108 HydrophobicContact CD2-CB 4.09Å; G105-D108 PolarHBondContact N-OD2 2.92Å; G105-D108 PolarHBondContact O-N 3.29Å; D108-R111 PolarHBondContact O-N 2.84Å; D108-D112 PolarHBondContact O-N 3.4Å
109	I	98.3	Very high	98.1	Very high	32 Å²	32	38.2 Å²	38.2	16%	0.164	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-47.4	173.5	-69.6	164.9	0	0	0	111	W91 Y104 G105 R111 D112 E113	W91-I109 HydrophobicContact CZ2-CD1 4.13Å; Y104-I109 HydrophobicContact CE1-CD1 4.11Å; Y104-I109 HydrophobicContact CE1-CG1 3.9Å; Y104-I109 HydrophobicContact CE2-CG1 4.04Å; G105-I109 WeakPolarHBondContact O-CG1 3.48Å; G105-I109 PolarHBondContact O-N 2.74Å; I109-R111 VanDerWaalsContact C-N 3.29Å; I109-R111 PolarHBondContact O-N 3.34Å; I109-D112 WeakPolarHBondContact O-CB 3.39Å; I109-D112 PolarHBondContact O-N 3.13Å; I109-D112 VanDerWaalsContact O-N 3.14Å; I109-E113 WeakPolarHBondContact O-CG 3.38Å; I109-E113 PolarHBondContact O-N 3.17Å
110	L	97.7	Very high	98	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-33.1	178.8	-71.9	174.4	0	0	0	112.6	N106 E113 L114 V542 Q561 P562 F564	N106-L110 WeakPolarHBondContact O-CG 3.5Å; N106-L110 PolarHBondContact O-N 3.31Å; N106-L110 VanDerWaalsContact O-N 3.08Å; L110-E113 PolarHBondContact O-N 2.83Å; L110-L114 VanDerWaalsContact O-CB 3.32Å; L110-L114 WeakPolarHBondContact O-CB 2.98Å; L110-L114 PolarHBondContact O-N 3.31Å; L110-V542 HydrophobicContact CB-CG1 3.94Å; L110-V542 HydrophobicContact CB-CG2 4.25Å; L110-V542 HydrophobicContact CD1-CG1 4.28Å; L110-Q561 HydrophobicContact CD2-CG 4.41Å; L110-P562 WeakPolarHBondContact CD2-O 3.4Å; L110-F564 HydrophobicContact CD1-CD2 4.07Å; L110-F564 HydrophobicContact CD1-CE2 3.56Å
111	R	98.3	Very high	98.1	Very high	75 Å²	75	36.9 Å²	36.9	28%	0.283	19%	0.185	S	C	.	.	H	α-helix	trans	-66.1	-43.8	171.6	-71	168.2	-178.7	-176.2	-2.1	110.7	F107 D108 I109 E113 L114 E115 V542	F107-R111 VanDerWaalsContact O-CG 3.27Å; F107-R111 WeakPolarHBondContact O-CG 3.29Å; F107-R111 PolarHBondContact O-N 3.06Å; F107-R111 VanDerWaalsContact O-N 3.1Å; D108-R111 PolarHBondContact O-N 2.84Å; I109-R111 VanDerWaalsContact C-N 3.29Å; I109-R111 PolarHBondContact O-N 3.34Å; R111-E113 VanDerWaalsContact C-N 3.28Å; R111-E113 PolarHBondContact O-N 3.35Å; R111-L114 PolarHBondContact O-N 3.35Å; R111-E115 VanDerWaalsContact O-CG 3.29Å; R111-E115 WeakPolarHBondContact O-CG 3.35Å; R111-E115 PolarHBondContact O-N 2.81Å; R111-V542 HydrophobicContact CG-CB 3.84Å; R111-V542 HydrophobicContact CG-CG2 3.99Å; R111-V542 PolarHBondContact NE-O 3.05Å; R111-V542 PolarHBondContact NH2-O 3.47Å
112	D	98.1	Very high	98.1	Very high	40 Å²	40	36 Å²	36	21%	0.214	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-36.3	176.7	-78.1	-14.2	0	0	0	112.2	D108 I109 R409	D108-D112 PolarHBondContact O-N 3.4Å; I109-D112 WeakPolarHBondContact O-CB 3.39Å; I109-D112 PolarHBondContact O-N 3.13Å; I109-D112 VanDerWaalsContact O-N 3.14Å; D112-R409 VanDerWaalsContact CA-NH1 3.31Å; D112-R409 PolarHBondContact O-NH1 3.32Å; D112-R409 IonicContact OD1-NH1 3.53Å
113	E	98	Very high	98	Very high	106 Å²	106	38.3 Å²	38.3	50%	0.495	19%	0.187	S	C	.	.	H	α-helix	trans	-72.7	-42.5	175.1	-72.1	175	179.2	0	0	112.1	I109 L110 R111 E115 V116 V117	I109-E113 WeakPolarHBondContact O-CG 3.38Å; I109-E113 PolarHBondContact O-N 3.17Å; L110-E113 PolarHBondContact O-N 2.83Å; R111-E113 VanDerWaalsContact C-N 3.28Å; R111-E113 PolarHBondContact O-N 3.35Å; E113-E115 VanDerWaalsContact C-N 3.28Å; E113-E115 PolarHBondContact O-N 2.9Å; E113-V116 WeakPolarHBondContact O-CB 3.16Å; E113-V116 PolarHBondContact O-N 3.43Å; E113-V116 VanDerWaalsContact O-N 3.08Å; E113-V117 PolarHBondContact O-N 3.47Å
114	L	98.5	Very high	97.5	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.047	21%	0.205	C	C	.	.	H	α-helix	trans	-58.3	-42.6	174.2	-179.5	147.2	0	0	0	111.1	L110 R111 V116 V117 L118 Y427 V542	L110-L114 VanDerWaalsContact O-CB 3.32Å; L110-L114 WeakPolarHBondContact O-CB 2.98Å; L110-L114 PolarHBondContact O-N 3.31Å; R111-L114 PolarHBondContact O-N 3.35Å; L114-V116 PolarHBondContact O-N 2.97Å; L114-V117 WeakPolarHBondContact O-CB 3.19Å; L114-V117 PolarHBondContact O-N 3.14Å; L114-V117 VanDerWaalsContact O-N 3.09Å; L114-L118 HydrophobicContact CD2-CD1 3.64Å; L114-L118 HydrophobicContact CD2-CD2 4.39Å; L114-L118 HydrophobicContact CD2-CG 3.79Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 3.31Å; L114-Y427 HydrophobicContact CD1-CD2 4.46Å; L114-Y427 HydrophobicContact CD1-CE1 4.38Å; L114-Y427 HydrophobicContact CD1-CE2 3.78Å; L114-Y427 HydrophobicContact CG-CD2 4.29Å; L114-Y427 HydrophobicContact CG-CE2 3.72Å; L114-V542 HydrophobicContact CB-CG2 4.24Å; L114-V542 HydrophobicContact CD1-CG2 3.79Å
115	E	98.5	Very high	97.3	Very high	18 Å²	18	44.4 Å²	44.4	8%	0.084	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-34.5	176.4	-75.4	170.9	-166.8	0	0	112.6	R111 E113 L118 K119 W408 R409 N413	R111-E115 VanDerWaalsContact O-CG 3.29Å; R111-E115 WeakPolarHBondContact O-CG 3.35Å; R111-E115 PolarHBondContact O-N 2.81Å; E113-E115 VanDerWaalsContact C-N 3.28Å; E113-E115 PolarHBondContact O-N 2.9Å; E115-L118 PolarHBondContact O-N 3.43Å; E115-K119 PolarHBondContact O-N 3.23Å; E115-W408 HydrophobicContact CB-CZ3 4.13Å; E115-W408 WeakPolarHBondContact O-CZ3 3.43Å; E115-R409 VanDerWaalsContact OE2-CB 3.27Å; E115-R409 WeakPolarHBondContact OE2-CB 3.33Å; E115-R409 WeakPolarHBondContact OE2-CD 3.33Å; E115-R409 WeakPolarHBondContact OE2-CG 3.34Å; E115-R409 IonicContact OE2-CZ 3.52Å; E115-R409 IonicContact OE2-NE 3.26Å; E115-R409 IonicContact OE2-NH1 3.16Å; E115-R409 PolarHBondContact OE2-NH1 2.88Å; E115-N413 WeakPolarHBondContact CG-OD1 3.39Å; E115-N413 PolarHBondContact OE1-ND2 3.06Å
116	V	98.6	Very high	97.1	Very high	61 Å²	61	50 Å²	50	37%	0.37	25%	0.25	S	S	.	.	H	α-helix	trans	-63.1	-45.3	175	175.7	0	0	0	0	110.4	E113 L114 L118 K119 D120 W408	E113-V116 WeakPolarHBondContact O-CB 3.16Å; E113-V116 PolarHBondContact O-N 3.43Å; E113-V116 VanDerWaalsContact O-N 3.08Å; L114-V116 PolarHBondContact O-N 2.97Å; V116-L118 VanDerWaalsContact C-N 3.29Å; V116-L118 PolarHBondContact O-N 2.93Å; V116-K119 WeakPolarHBondContact O-CB 3.26Å; V116-K119 PolarHBondContact O-N 2.85Å; V116-D120 PolarHBondContact O-N 3.38Å; V116-W408 HydrophobicContact CG2-CH2 3.98Å
117	V	98.5	Very high	96.9	Very high	38 Å²	38	56 Å²	56	23%	0.23	29%	0.288	C	S	.	.	H	α-helix	trans	-59.4	-43.7	174.7	-178.5	0	0	0	0	110.6	E113 L114 K119 D120 V121 Y427 A430 A431	E113-V117 PolarHBondContact O-N 3.47Å; L114-V117 WeakPolarHBondContact O-CB 3.19Å; L114-V117 PolarHBondContact O-N 3.14Å; L114-V117 VanDerWaalsContact O-N 3.09Å; V117-K119 VanDerWaalsContact C-N 3.34Å; V117-K119 PolarHBondContact O-N 3.43Å; V117-D120 PolarHBondContact O-N 3.3Å; V117-V121 WeakPolarHBondContact O-CG2 3.38Å; V117-V121 PolarHBondContact O-N 3.05Å; V117-Y427 HydrophobicContact CB-CD2 4.3Å; V117-Y427 HydrophobicContact CB-CE2 4.31Å; V117-Y427 HydrophobicContact CG1-CD2 3.85Å; V117-Y427 HydrophobicContact CG1-CE2 4.17Å; V117-A430 HydrophobicContact CG1-CB 4.05Å; V117-A431 HydrophobicContact CG1-CB 4.17Å
118	L	98.6	Very high	96.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-41.4	178.2	-63.6	-168.2	0	0	0	112.4	L114 E115 V116 D120 V121 L122 A412 N416 V423 Y427 A540	L114-L118 HydrophobicContact CD2-CD1 3.64Å; L114-L118 HydrophobicContact CD2-CD2 4.39Å; L114-L118 HydrophobicContact CD2-CG 3.79Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 3.31Å; E115-L118 PolarHBondContact O-N 3.43Å; V116-L118 VanDerWaalsContact C-N 3.29Å; V116-L118 PolarHBondContact O-N 2.93Å; L118-D120 VanDerWaalsContact C-N 3.33Å; L118-D120 PolarHBondContact O-N 2.66Å; L118-V121 WeakPolarHBondContact O-CG2 3.33Å; L118-V121 PolarHBondContact O-N 2.94Å; L118-L122 HydrophobicContact CB-CD1 4.46Å; L118-L122 WeakPolarHBondContact O-CB 3.48Å; L118-L122 WeakPolarHBondContact O-CD1 3.1Å; L118-L122 WeakPolarHBondContact O-CG 3.43Å; L118-L122 PolarHBondContact O-N 3.15Å; L118-A412 HydrophobicContact CB-CB 3.92Å; L118-N416 HydrophobicContact CD1-CB 3.95Å; L118-V423 HydrophobicContact CD1-CG1 4.27Å; L118-V423 HydrophobicContact CD2-CG1 3.52Å; L118-V423 HydrophobicContact CG-CG1 4.44Å; L118-Y427 HydrophobicContact CD2-CD2 4.12Å; L118-A540 HydrophobicContact CD2-CB 4.11Å
119	K	98.5	Very high	96.9	Very high	64 Å²	64	61 Å²	61	28%	0.278	31%	0.311	S	S	.	.	H	α-helix	trans	-58	-48.1	174.2	-174.8	-160.5	174.2	-156.9	0	110.7	E115 V116 V117 V121 L122 Q123 W408	E115-K119 PolarHBondContact O-N 3.23Å; V116-K119 WeakPolarHBondContact O-CB 3.26Å; V116-K119 PolarHBondContact O-N 2.85Å; V117-K119 VanDerWaalsContact C-N 3.34Å; V117-K119 PolarHBondContact O-N 3.43Å; K119-V121 VanDerWaalsContact C-N 3.35Å; K119-V121 PolarHBondContact O-N 3.27Å; K119-L122 PolarHBondContact O-N 2.93Å; K119-Q123 VanDerWaalsContact CE-OE1 3.28Å; K119-Q123 VanDerWaalsContact O-CB 3.26Å; K119-Q123 WeakPolarHBondContact O-CB 3.45Å; K119-Q123 VanDerWaalsContact O-CG 3.29Å; K119-Q123 WeakPolarHBondContact O-CG 3.46Å; K119-Q123 PolarHBondContact O-N 2.92Å; K119-W408 HydrophobicContact CB-CE3 3.62Å; K119-W408 HydrophobicContact CB-CZ3 3.69Å; K119-W408 HydrophobicContact CD-CD2 3.82Å; K119-W408 HydrophobicContact CD-CE3 3.7Å; K119-W408 HydrophobicContact CD-CG 4.36Å; K119-W408 HydrophobicContact CD-CH2 4.39Å; K119-W408 HydrophobicContact CD-CZ2 4.49Å; K119-W408 HydrophobicContact CD-CZ3 4.01Å; K119-W408 HydrophobicContact CG-CD2 4.18Å; K119-W408 HydrophobicContact CG-CE3 3.72Å; K119-W408 HydrophobicContact CG-CZ3 4.2Å
120	D	98.1	Very high	96.9	Very high	87 Å²	87	61 Å²	61	47%	0.465	31%	0.311	S	S	.	.	H	α-helix	trans	-61.8	-42.7	-176.7	-70	-17.1	0	0	0	112	V116 V117 L118 Q123	V116-D120 PolarHBondContact O-N 3.38Å; V117-D120 PolarHBondContact O-N 3.3Å; L118-D120 VanDerWaalsContact C-N 3.33Å; L118-D120 PolarHBondContact O-N 2.66Å; D120-Q123 PolarHBondContact OD1-NE2 3.42Å
121	V	98.1	Very high	96.9	Very high	28 Å²	28	63.8 Å²	63.8	17%	0.17	33%	0.329	C	S	.	.	H	α-helix	trans	-80.2	-20.4	-179.6	-56.4	0	0	0	0	114.1	V117 L118 K119 K137 L426 A430	V117-V121 WeakPolarHBondContact O-CG2 3.38Å; V117-V121 PolarHBondContact O-N 3.05Å; L118-V121 WeakPolarHBondContact O-CG2 3.33Å; L118-V121 PolarHBondContact O-N 2.94Å; K119-V121 VanDerWaalsContact C-N 3.35Å; K119-V121 PolarHBondContact O-N 3.27Å; V121-K137 WeakPolarHBondContact O-CE 2.99Å; V121-L426 HydrophobicContact CB-CB 3.97Å; V121-L426 HydrophobicContact CB-CD1 4.44Å; V121-L426 HydrophobicContact CG2-CB 3.7Å; V121-L426 HydrophobicContact CG2-CD1 4.18Å; V121-A430 HydrophobicContact CG1-CB 3.88Å
122	L	98.6	Very high	97	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-94.4	-26.4	-179.5	-71	171.3	0	0	0	114.1	L118 K119 A136 K137 Y140 A412 V415 V423 L426	L118-L122 HydrophobicContact CB-CD1 4.46Å; L118-L122 WeakPolarHBondContact O-CB 3.48Å; L118-L122 WeakPolarHBondContact O-CD1 3.1Å; L118-L122 WeakPolarHBondContact O-CG 3.43Å; L118-L122 PolarHBondContact O-N 3.15Å; K119-L122 PolarHBondContact O-N 2.93Å; L122-A136 HydrophobicContact CD2-CB 4.19Å; L122-K137 HydrophobicContact CD2-CG 4.44Å; L122-Y140 HydrophobicContact CB-CD1 3.97Å; L122-Y140 HydrophobicContact CB-CD2 4.06Å; L122-Y140 HydrophobicContact CB-CE1 4.39Å; L122-Y140 HydrophobicContact CB-CE2 4.46Å; L122-Y140 HydrophobicContact CB-CG 3.8Å; L122-Y140 HydrophobicContact CD1-CD2 4Å; L122-Y140 HydrophobicContact CD1-CG 4.38Å; L122-A412 HydrophobicContact CD1-CB 4.34Å; L122-V415 HydrophobicContact CD1-CB 4.31Å; L122-V415 HydrophobicContact CD2-CG1 4.27Å; L122-V423 HydrophobicContact CD2-CG2 4.32Å; L122-L426 HydrophobicContact CD2-CD1 4.11Å
123	Q	95.8	Very high	97	Very high	69 Å²	69	58.6 Å²	58.6	32%	0.322	31%	0.307	S	S	.	.	H	α-helix	trans	-77.1	-30.7	-171.9	75.5	-165.8	-18.4	0	0	113.8	K119 D120 Y140	K119-Q123 VanDerWaalsContact CE-OE1 3.28Å; K119-Q123 VanDerWaalsContact O-CB 3.26Å; K119-Q123 WeakPolarHBondContact O-CB 3.45Å; K119-Q123 VanDerWaalsContact O-CG 3.29Å; K119-Q123 WeakPolarHBondContact O-CG 3.46Å; K119-Q123 PolarHBondContact O-N 2.92Å; D120-Q123 PolarHBondContact OD1-NE2 3.42Å; Q123-Y140 HydrophobicContact CB-CE1 3.97Å
124	E	89.1	Confident	97	Very high	125 Å²	125	58 Å²	58	58%	0.584	30%	0.304	S	S	*	.	S	Bend	trans	-105.4	120.5	-175.2	-58.6	-168.3	167.5	0	0	112.2	K137	E124-K137 WeakPolarHBondContact O-CE 3.36Å; E124-K137 PolarHBondContact O-NZ 2.99Å
125	P	93.6	Very high	97	Very high	95 Å²	95	58.7 Å²	58.7	62%	0.617	31%	0.307	S	S	*	.			trans	-70.7	142.7	171.2	29.4	-32.2	0	0	0	111.1
126	K	94.8	Very high	97	Very high	119 Å²	119	57.9 Å²	57.9	52%	0.517	30%	0.303	S	S	.	.			trans	-118.4	153.4	174	-59.2	-178.7	178	179.4	0	110.5	E128 D129	K126-E128 VanDerWaalsContact C-N 3.26Å; K126-E128 HydrophobicContact CB-CG 4.45Å; K126-E128 PolarHBondContact O-N 2.89Å; K126-D129 PolarHBondContact N-OD2 3.15Å; K126-D129 PolarHBondContact O-N 2.84Å
127	T	92.4	Very high	97	Very high	144 Å²	144	55 Å²	55	88%	0.883	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-30.6	-175.2	-57.6	0	0	0	0	111.5
128	E	95.3	Very high	97.1	Very high	141 Å²	141	54.4 Å²	54.4	66%	0.659	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	2.1	-178.5	66.1	-83.9	-164.9	0	0	114.1	K126 I130	K126-E128 VanDerWaalsContact C-N 3.26Å; K126-E128 HydrophobicContact CB-CG 4.45Å; K126-E128 PolarHBondContact O-N 2.89Å; E128-I130 PolarHBondContact O-N 3.28Å
129	D	97.9	Very high	97.1	Very high	19 Å²	19	54.4 Å²	54.4	10%	0.102	28%	0.282	C	S	.	.			trans	-60.9	125.5	179.1	-74.8	-27.5	0	0	0	110.6	K126 V133 Q134 K137	K126-D129 PolarHBondContact N-OD2 3.15Å; K126-D129 PolarHBondContact O-N 2.84Å; D129-V133 HydrophobicContact CB-CB 4.24Å; D129-V133 HydrophobicContact CB-CG1 3.9Å; D129-V133 WeakPolarHBondContact OD1-CG1 3.28Å; D129-Q134 HydrophobicContact CB-CG 3.8Å; D129-Q134 PolarHBondContact O-NE2 3.35Å; D129-K137 VanDerWaalsContact CG-NZ 3.25Å; D129-K137 IonicContact OD1-NZ 3.91Å; D129-K137 PolarHBondContact OD1-NZ 3.09Å; D129-K137 WeakPolarHBondContact OD2-CD 3.45Å; D129-K137 WeakPolarHBondContact OD2-CE 3.46Å; D129-K137 IonicContact OD2-NZ 3.72Å; D129-K137 PolarHBondContact OD2-NZ 3.12Å
130	I	98.3	Very high	97.1	Very high	32 Å²	32	51.5 Å²	51.5	16%	0.164	27%	0.269	C	S	.	.			trans	-68.9	162	169.7	64	170.6	0	0	0	111.2	E128 A132 V133 Q134 D490 L493	E128-I130 PolarHBondContact O-N 3.28Å; I130-A132 VanDerWaalsContact C-N 3.29Å; I130-A132 HydrophobicContact CD1-CB 4.27Å; I130-A132 HydrophobicContact CG1-CB 4.43Å; I130-A132 PolarHBondContact O-N 3.26Å; I130-V133 HydrophobicContact CD1-CG2 4.45Å; I130-V133 HydrophobicContact CG1-CB 4.19Å; I130-V133 HydrophobicContact CG1-CG2 3.81Å; I130-V133 WeakPolarHBondContact O-CB 3.2Å; I130-V133 PolarHBondContact O-N 2.69Å; I130-Q134 WeakPolarHBondContact O-CG 3.2Å; I130-Q134 PolarHBondContact O-N 3.5Å; I130-D490 HydrophobicContact CD1-CB 4.11Å; I130-D490 HydrophobicContact CG2-CB 4.19Å; I130-L493 HydrophobicContact CD1-CD2 4.02Å
131	V	98.4	Very high	97.1	Very high	70 Å²	70	50.2 Å²	50.2	42%	0.424	26%	0.258	S	S	.	.	H	α-helix	trans	-54.5	-40.8	-175.4	175.4	0	0	0	0	113	V133 Q134 K135 N494	V131-V133 PolarHBondContact O-N 3.18Å; V131-Q134 PolarHBondContact O-N 3.05Å; V131-K135 HydrophobicContact CG1-CD 4.33Å; V131-K135 WeakPolarHBondContact O-CG 3.33Å; V131-K135 PolarHBondContact O-N 3.03Å; V131-N494 PolarHBondContact N-OD1 3.26Å
132	A	98.6	Very high	97.1	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.2	-44	176.3	0	0	0	0	0	112.5	I130 K135 A136 M419 A422 L493 N494 Y497	I130-A132 VanDerWaalsContact C-N 3.29Å; I130-A132 HydrophobicContact CD1-CB 4.27Å; I130-A132 HydrophobicContact CG1-CB 4.43Å; I130-A132 PolarHBondContact O-N 3.26Å; A132-K135 PolarHBondContact O-N 3.45Å; A132-A136 PolarHBondContact O-N 3.25Å; A132-A136 VanDerWaalsContact O-N 3.1Å; A132-M419 WeakPolarHBondContact O-CE 3.31Å; A132-A422 HydrophobicContact CB-CB 4.45Å; A132-L493 HydrophobicContact CB-CD2 4.36Å; A132-L493 HydrophobicContact CB-CG 3.88Å; A132-N494 WeakPolarHBondContact CB-OD1 3.28Å; A132-N494 PolarHBondContact N-OD1 3.35Å; A132-Y497 HydrophobicContact CB-CD2 3.92Å
133	V	98.6	Very high	97.2	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.03	25%	0.253	C	S	.	.	H	α-helix	trans	-68.4	-42.6	177.7	171.6	0	0	0	0	110.7	D129 I130 V131 K135 A136 K137 L426	D129-V133 HydrophobicContact CB-CB 4.24Å; D129-V133 HydrophobicContact CB-CG1 3.9Å; D129-V133 WeakPolarHBondContact OD1-CG1 3.28Å; I130-V133 HydrophobicContact CD1-CG2 4.45Å; I130-V133 HydrophobicContact CG1-CB 4.19Å; I130-V133 HydrophobicContact CG1-CG2 3.81Å; I130-V133 WeakPolarHBondContact O-CB 3.2Å; I130-V133 PolarHBondContact O-N 2.69Å; V131-V133 PolarHBondContact O-N 3.18Å; V133-K135 VanDerWaalsContact C-N 3.29Å; V133-K135 PolarHBondContact O-N 3Å; V133-A136 PolarHBondContact O-N 3.07Å; V133-K137 HydrophobicContact CG1-CD 4.17Å; V133-K137 HydrophobicContact CG1-CG 4.41Å; V133-K137 WeakPolarHBondContact O-CG 3.37Å; V133-K137 PolarHBondContact O-N 3.34Å; V133-L426 HydrophobicContact CG1-CD1 4.18Å; V133-L426 HydrophobicContact CG1-CD2 3.96Å; V133-L426 HydrophobicContact CG1-CG 4.48Å; V133-L426 HydrophobicContact CG2-CD2 4.2Å; V133-L426 HydrophobicContact CG2-CG 4.42Å
134	Q	98.6	Very high	97.3	Very high	94 Å²	94	49.1 Å²	49.1	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-56.6	-45.1	175	-65.6	174.9	12.4	0	0	111	D129 I130 V131 K137 T138	D129-Q134 HydrophobicContact CB-CG 3.8Å; D129-Q134 PolarHBondContact O-NE2 3.35Å; I130-Q134 WeakPolarHBondContact O-CG 3.2Å; I130-Q134 PolarHBondContact O-N 3.5Å; V131-Q134 PolarHBondContact O-N 3.05Å; Q134-K137 PolarHBondContact O-N 2.99Å; Q134-T138 WeakPolarHBondContact O-CB 3.2Å; Q134-T138 PolarHBondContact O-N 3.34Å; Q134-T138 PolarHBondContact O-OG1 3.19Å
135	K	98.8	Very high	97.7	Very high	24 Å²	24	46.6 Å²	46.6	10%	0.104	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-44.5	176.3	-73.2	179.4	-174.7	-172.4	0	112.2	V131 A132 V133 K137 T138 L139 M419 Y497 L498 L500 Y502	V131-K135 HydrophobicContact CG1-CD 4.33Å; V131-K135 WeakPolarHBondContact O-CG 3.33Å; V131-K135 PolarHBondContact O-N 3.03Å; A132-K135 PolarHBondContact O-N 3.45Å; V133-K135 VanDerWaalsContact C-N 3.29Å; V133-K135 PolarHBondContact O-N 3Å; K135-K137 PolarHBondContact O-N 2.98Å; K135-T138 PolarHBondContact O-N 3.12Å; K135-L139 WeakPolarHBondContact O-CB 3.24Å; K135-L139 PolarHBondContact O-N 3.37Å; K135-M419 HydrophobicContact CB-CE 3.9Å; K135-M419 HydrophobicContact CB-SD 4.48Å; K135-Y497 PolarHBondContact NZ-O 2.99Å; K135-L498 PolarHBondContact NZ-O 3.38Å; K135-L500 WeakPolarHBondContact CD-O 3.21Å; K135-L500 WeakPolarHBondContact CE-O 3.29Å; K135-L500 PolarHBondContact NZ-O 3.3Å; K135-Y502 HydrophobicContact CB-CD2 3.97Å; K135-Y502 HydrophobicContact CB-CE2 4.07Å; K135-Y502 HydrophobicContact CG-CD2 4.49Å; K135-Y502 WeakPolarHBondContact O-CD2 3.23Å
136	A	98.8	Very high	98	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-45.7	176.5	0	0	0	0	0	112.1	L122 A132 V133 L139 Y140 V415 M419 A422 V423	L122-A136 HydrophobicContact CD2-CB 4.19Å; A132-A136 PolarHBondContact O-N 3.25Å; A132-A136 VanDerWaalsContact O-N 3.1Å; V133-A136 PolarHBondContact O-N 3.07Å; A136-L139 PolarHBondContact O-N 3.48Å; A136-Y140 PolarHBondContact O-N 3.38Å; A136-V415 HydrophobicContact CB-CG1 3.82Å; A136-V415 WeakPolarHBondContact O-CG1 3.49Å; A136-M419 VanDerWaalsContact CA-SD 3.58Å; A136-M419 HydrophobicContact CB-CE 4.18Å; A136-M419 HydrophobicContact CB-SD 3.91Å; A136-A422 HydrophobicContact CB-CB 4.36Å; A136-V423 HydrophobicContact CB-CG2 4.48Å
137	K	98.8	Very high	98.1	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-38.5	177.5	-64.4	-176.6	178.9	178.1	0	112.4	V121 L122 E124 D129 V133 Q134 K135 Y140 R141	V121-K137 WeakPolarHBondContact O-CE 2.99Å; L122-K137 HydrophobicContact CD2-CG 4.44Å; E124-K137 WeakPolarHBondContact O-CE 3.36Å; E124-K137 PolarHBondContact O-NZ 2.99Å; D129-K137 VanDerWaalsContact CG-NZ 3.25Å; D129-K137 IonicContact OD1-NZ 3.91Å; D129-K137 PolarHBondContact OD1-NZ 3.09Å; D129-K137 WeakPolarHBondContact OD2-CD 3.45Å; D129-K137 WeakPolarHBondContact OD2-CE 3.46Å; D129-K137 IonicContact OD2-NZ 3.72Å; D129-K137 PolarHBondContact OD2-NZ 3.12Å; V133-K137 HydrophobicContact CG1-CD 4.17Å; V133-K137 HydrophobicContact CG1-CG 4.41Å; V133-K137 WeakPolarHBondContact O-CG 3.37Å; V133-K137 PolarHBondContact O-N 3.34Å; Q134-K137 PolarHBondContact O-N 2.99Å; K135-K137 PolarHBondContact O-N 2.98Å; K137-Y140 WeakPolarHBondContact O-CB 2.99Å; K137-Y140 PolarHBondContact O-N 2.74Å; K137-R141 WeakPolarHBondContact O-CG 3.44Å; K137-R141 PolarHBondContact O-N 3.32Å; K137-R141 PolarHBondContact O-NH1 3.33Å
138	T	98.7	Very high	98.4	Very high	24 Å²	24	37.1 Å²	37.1	15%	0.147	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-44.8	173.7	-66.3	0	0	0	0	111.3	Q134 K135 Y140 R141 S142 E504	Q134-T138 WeakPolarHBondContact O-CB 3.2Å; Q134-T138 PolarHBondContact O-N 3.34Å; Q134-T138 PolarHBondContact O-OG1 3.19Å; K135-T138 PolarHBondContact O-N 3.12Å; T138-Y140 VanDerWaalsContact C-N 3.33Å; T138-Y140 PolarHBondContact O-N 3.02Å; T138-R141 PolarHBondContact O-N 3.06Å; T138-R141 PolarHBondContact OG1-NH2 2.97Å; T138-R141 VanDerWaalsContact OG1-NH2 3.1Å; T138-S142 PolarHBondContact O-N 3.43Å; T138-E504 HydrophobicContact CG2-CG 3.71Å
139	L	98.8	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-44.4	175.6	-175.5	60.9	0	0	0	111	K135 A136 S142 C143 Y414 V415 M419 Y502 N510	K135-L139 WeakPolarHBondContact O-CB 3.24Å; K135-L139 PolarHBondContact O-N 3.37Å; A136-L139 PolarHBondContact O-N 3.48Å; L139-S142 PolarHBondContact O-N 3.49Å; L139-S142 PolarHBondContact O-OG 2.79Å; L139-C143 PolarHBondContact O-N 2.65Å; L139-C143 VanDerWaalsContact O-N 3.09Å; L139-Y414 HydrophobicContact CD1-CE1 4.2Å; L139-Y414 HydrophobicContact CD2-CD1 4.33Å; L139-Y414 HydrophobicContact CD2-CE1 4.04Å; L139-Y414 HydrophobicContact CG-CE1 4.33Å; L139-V415 HydrophobicContact CB-CG2 4.08Å; L139-V415 HydrophobicContact CD2-CB 4.43Å; L139-V415 HydrophobicContact CD2-CG1 4.33Å; L139-V415 HydrophobicContact CD2-CG2 3.95Å; L139-V415 HydrophobicContact CG-CG2 3.83Å; L139-M419 HydrophobicContact CD2-SD 4.37Å; L139-Y502 HydrophobicContact CB-CD2 3.93Å; L139-Y502 HydrophobicContact CB-CE2 4.02Å; L139-Y502 HydrophobicContact CB-CG 4.39Å; L139-Y502 HydrophobicContact CD1-CD1 4.15Å; L139-Y502 HydrophobicContact CD1-CE1 4.13Å; L139-Y502 HydrophobicContact CD1-CG 4.35Å; L139-Y502 HydrophobicContact CD2-CE2 4.15Å; L139-Y502 HydrophobicContact CG-CE2 4.48Å; L139-N510 HydrophobicContact CD1-CB 3.61Å
140	Y	98.9	Very high	98.6	Very high	4 Å²	4	33 Å²	33	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-49.8	176.3	178.2	-101	0	0	0	111.9	L122 Q123 A136 K137 T138 S142 C143 I144 W408 C411 A412	L122-Y140 HydrophobicContact CB-CD1 3.97Å; L122-Y140 HydrophobicContact CB-CD2 4.06Å; L122-Y140 HydrophobicContact CB-CE1 4.39Å; L122-Y140 HydrophobicContact CB-CE2 4.46Å; L122-Y140 HydrophobicContact CB-CG 3.8Å; L122-Y140 HydrophobicContact CD1-CD2 4Å; L122-Y140 HydrophobicContact CD1-CG 4.38Å; Q123-Y140 HydrophobicContact CB-CE1 3.97Å; A136-Y140 PolarHBondContact O-N 3.38Å; K137-Y140 WeakPolarHBondContact O-CB 2.99Å; K137-Y140 PolarHBondContact O-N 2.74Å; T138-Y140 VanDerWaalsContact C-N 3.33Å; T138-Y140 PolarHBondContact O-N 3.02Å; Y140-S142 VanDerWaalsContact C-N 3.31Å; Y140-S142 PolarHBondContact O-N 3.13Å; Y140-C143 WeakPolarHBondContact O-CB 3.49Å; Y140-C143 PolarHBondContact O-N 3.09Å; Y140-C143 VanDerWaalsContact O-N 3.09Å; Y140-I144 HydrophobicContact CD1-CD1 4.29Å; Y140-I144 HydrophobicContact CD2-CG2 4.37Å; Y140-I144 HydrophobicContact CE1-CD1 3.8Å; Y140-I144 HydrophobicContact CE1-CG2 4.08Å; Y140-I144 HydrophobicContact CE2-CG2 3.9Å; Y140-I144 PolarHBondContact O-N 3.15Å; Y140-W408 WeakPolarHBondContact OH-CB 3.34Å; Y140-C411 HydrophobicContact CD2-CB 3.88Å; Y140-C411 HydrophobicContact CE2-CB 3.92Å; Y140-A412 HydrophobicContact CE2-CB 4.23Å
141	R	98.8	Very high	98.7	Very high	59 Å²	59	36.1 Å²	36.1	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-58.8	-40.6	176.8	-74.1	-167	-59.9	-77.3	-2.3	112.6	K137 T138 C143 I144 N145 E504	K137-R141 WeakPolarHBondContact O-CG 3.44Å; K137-R141 PolarHBondContact O-N 3.32Å; K137-R141 PolarHBondContact O-NH1 3.33Å; T138-R141 PolarHBondContact O-N 3.06Å; T138-R141 PolarHBondContact OG1-NH2 2.97Å; T138-R141 VanDerWaalsContact OG1-NH2 3.1Å; R141-C143 VanDerWaalsContact C-N 3.28Å; R141-C143 PolarHBondContact O-N 2.82Å; R141-I144 WeakPolarHBondContact O-CG1 3.49Å; R141-N145 PolarHBondContact O-N 3.38Å; R141-E504 IonicContact CZ-OE1 2.71Å; R141-E504 VanDerWaalsContact CZ-OE1 3.32Å; R141-E504 IonicContact CZ-OE2 2.83Å; R141-E504 VanDerWaalsContact NE-CD 3.26Å; R141-E504 IonicContact NE-OE1 3.79Å; R141-E504 PolarHBondContact NE-OE1 2.8Å; R141-E504 VanDerWaalsContact NE-OE1 3.1Å; R141-E504 IonicContact NE-OE2 3.32Å; R141-E504 PolarHBondContact NE-OE2 3.2Å; R141-E504 IonicContact NH2-OE1 4Å; R141-E504 PolarHBondContact NH2-OE1 3.04Å
142	S	98.8	Very high	98.7	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-37.3	176.1	77.9	0	0	0	0	112.7	T138 L139 Y140 K503 E504 Y507 N510	T138-S142 PolarHBondContact O-N 3.43Å; L139-S142 PolarHBondContact O-N 3.49Å; L139-S142 PolarHBondContact O-OG 2.79Å; Y140-S142 VanDerWaalsContact C-N 3.31Å; Y140-S142 PolarHBondContact O-N 3.13Å; S142-K503 WeakPolarHBondContact CB-O 3.39Å; S142-E504 WeakPolarHBondContact CA-O 3.33Å; S142-E504 WeakPolarHBondContact CB-O 3.28Å; S142-Y507 WeakPolarHBondContact O-CB 3.48Å; S142-N510 WeakPolarHBondContact CB-ND2 3.3Å; S142-N510 PolarHBondContact OG-ND2 2.99Å
143	C	98.8	Very high	98.7	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.054	20%	0.204	C	C	.	.	H	α-helix	trans	-73.9	-40.2	-178.2	-179.5	0	0	0	0	113	L139 Y140 R141 N145 I149 C411 Y507	L139-C143 PolarHBondContact O-N 2.65Å; L139-C143 VanDerWaalsContact O-N 3.09Å; Y140-C143 WeakPolarHBondContact O-CB 3.49Å; Y140-C143 PolarHBondContact O-N 3.09Å; Y140-C143 VanDerWaalsContact O-N 3.09Å; R141-C143 VanDerWaalsContact C-N 3.28Å; R141-C143 PolarHBondContact O-N 2.82Å; C143-N145 VanDerWaalsContact C-N 3.32Å; C143-N145 PolarHBondContact O-N 2.03Å; C143-I149 WeakPolarHBondContact O-CD1 3.29Å; C143-C411 HydrophobicContact CB-CB 3.6Å; C143-C411 WeakPolarHBondContact CB-SG 3.5Å; C143-C411 PolarHBondContact O-SG 3.39Å; C143-C411 VanDerWaalsContact O-SG 3.4Å; C143-C411 WeakPolarHBondContact SG-CA 3.42Å; C143-C411 WeakPolarHBondContact SG-CB 3.34Å; C143-C411 CovalentContact SG-SG 2.03Å; C143-C411 PolarHBondContact SG-SG 3.08Å; C143-Y507 HydrophobicContact CB-CD2 3.68Å; C143-Y507 HydrophobicContact CB-CE2 3.41Å; C143-Y507 VanDerWaalsContact CB-CE2 3.41Å; C143-Y507 HydrophobicContact CB-CG 4.44Å
144	I	98.6	Very high	98.7	Very high	65 Å²	65	36.4 Å²	36.4	33%	0.333	20%	0.202	S	C	.	.	H	α-helix	trans	-77.7	-16.5	-176.6	62.9	168.7	0	0	0	113.6	Y140 R141 E146 W408 C411	Y140-I144 HydrophobicContact CD1-CD1 4.29Å; Y140-I144 HydrophobicContact CD2-CG2 4.37Å; Y140-I144 HydrophobicContact CE1-CD1 3.8Å; Y140-I144 HydrophobicContact CE1-CG2 4.08Å; Y140-I144 HydrophobicContact CE2-CG2 3.9Å; Y140-I144 PolarHBondContact O-N 3.15Å; R141-I144 WeakPolarHBondContact O-CG1 3.49Å; I144-E146 VanDerWaalsContact C-N 3.27Å; I144-E146 PolarHBondContact O-N 3.4Å; I144-W408 HydrophobicContact CG2-CB 4.4Å; I144-C411 HydrophobicContact CG2-CB 3.7Å
145	N	98.5	Very high	98.7	Very high	71 Å²	71	35.9 Å²	35.9	38%	0.38	20%	0.2	S	C	.	.			trans	-78.1	74	-179.7	-169.7	-9.6	0	0	0	111.5	R141 C143 S147 A148 I149	R141-N145 PolarHBondContact O-N 3.38Å; C143-N145 VanDerWaalsContact C-N 3.32Å; C143-N145 PolarHBondContact O-N 2.03Å; N145-S147 PolarHBondContact O-N 2.85Å; N145-A148 HydrophobicContact CB-CB 4.27Å; N145-A148 PolarHBondContact O-N 3.16Å; N145-A148 PolarHBondContact OD1-N 3.47Å; N145-A148 VanDerWaalsContact OD1-N 3.12Å; N145-I149 PolarHBondContact O-N 3.18Å
146	E	98.4	Very high	98.7	Very high	44 Å²	44	35.1 Å²	35.1	21%	0.206	20%	0.198	C	C	.	.	H	α-helix	trans	-60.1	-31.1	179.7	-64.8	-164.6	143.5	0	0	112.4	I144 A148 I149 D150 R385 T407 R410	I144-E146 VanDerWaalsContact C-N 3.27Å; I144-E146 PolarHBondContact O-N 3.4Å; E146-A148 PolarHBondContact O-N 3.35Å; E146-I149 PolarHBondContact O-N 2.61Å; E146-D150 VanDerWaalsContact O-CB 3.22Å; E146-D150 WeakPolarHBondContact O-CB 3.15Å; E146-D150 PolarHBondContact O-N 2.91Å; E146-R385 VanDerWaalsContact CD-NH2 3.32Å; E146-R385 IonicContact OE1-NH2 3.81Å; E146-R385 PolarHBondContact OE1-NH2 3.46Å; E146-R385 IonicContact OE2-NH2 3.92Å; E146-R385 PolarHBondContact OE2-NH2 2.85Å; E146-T407 HydrophobicContact CG-CG2 3.88Å; E146-T407 PolarHBondContact OE1-OG1 3.11Å; E146-R410 IonicContact OE1-NH2 3.4Å
147	S	98.5	Very high	98.7	Very high	97 Å²	97	35.1 Å²	35.1	68%	0.678	20%	0.198	S	C	*	.	H	α-helix	trans	-62.4	-42.2	176.9	-57.9	0	0	0	0	112.4	N145 S151	N145-S147 PolarHBondContact O-N 2.85Å; S147-S151 WeakPolarHBondContact O-CB 3.27Å; S147-S151 PolarHBondContact O-N 3.14Å
148	A	98.6	Very high	98.7	Very high	19 Å²	19	35.8 Å²	35.8	16%	0.157	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-45.1	174.2	0	0	0	0	0	111.3	N145 E146 S151 R152	N145-A148 HydrophobicContact CB-CB 4.27Å; N145-A148 PolarHBondContact O-N 3.16Å; N145-A148 PolarHBondContact OD1-N 3.47Å; N145-A148 VanDerWaalsContact OD1-N 3.12Å; E146-A148 PolarHBondContact O-N 3.35Å; A148-S151 PolarHBondContact O-N 2.66Å; A148-S151 PolarHBondContact O-OG 3.33Å; A148-R152 WeakPolarHBondContact O-CG 3.48Å
149	I	98.8	Very high	98.7	Very high	16 Å²	16	41.2 Å²	41.2	8%	0.082	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-46.8	178.3	-64.8	167.6	0	0	0	111.2	C143 N145 E146 S151 R152 L383 Y507	C143-I149 WeakPolarHBondContact O-CD1 3.29Å; N145-I149 PolarHBondContact O-N 3.18Å; E146-I149 PolarHBondContact O-N 2.61Å; I149-S151 PolarHBondContact O-N 3.06Å; I149-R152 PolarHBondContact O-N 2.83Å; I149-L383 WeakPolarHBondContact CG2-O 3.44Å; I149-Y507 HydrophobicContact CD1-CD1 3.73Å; I149-Y507 HydrophobicContact CD1-CG 4.15Å; I149-Y507 HydrophobicContact CG1-CD1 4.36Å
150	D	98.7	Very high	98.7	Very high	57 Å²	57	41.7 Å²	41.7	31%	0.305	23%	0.225	S	C	.	.	H	α-helix	trans	-66.6	-37.4	-177.6	-73	-16.8	0	0	0	111.8	E146 R152 G153 S384 R385	E146-D150 VanDerWaalsContact O-CB 3.22Å; E146-D150 WeakPolarHBondContact O-CB 3.15Å; E146-D150 PolarHBondContact O-N 2.91Å; D150-R152 PolarHBondContact O-N 3.25Å; D150-G153 PolarHBondContact O-N 2.82Å; D150-G153 VanDerWaalsContact O-N 3.15Å; D150-S384 VanDerWaalsContact OD1-CA 3.27Å; D150-S384 WeakPolarHBondContact OD1-CA 3.5Å; D150-R385 PolarHBondContact OD1-N 2.87Å
151	S	98.6	Very high	98.7	Very high	98 Å²	98	41.8 Å²	41.8	69%	0.685	23%	0.226	S	C	*	.	H	α-helix	trans	-60.1	-19.1	176.8	76.5	0	0	0	0	114	S147 A148 I149	S147-S151 WeakPolarHBondContact O-CB 3.27Å; S147-S151 PolarHBondContact O-N 3.14Å; A148-S151 PolarHBondContact O-N 2.66Å; A148-S151 PolarHBondContact O-OG 3.33Å; I149-S151 PolarHBondContact O-N 3.06Å
152	R	98.6	Very high	98.7	Very high	62 Å²	62	42.2 Å²	42.2	23%	0.234	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-2.4	-176.6	-60.4	176	71.6	-167	-5	113.2	A148 I149 D150 G154 E155 P156 D505 E509	A148-R152 WeakPolarHBondContact O-CG 3.48Å; I149-R152 PolarHBondContact O-N 2.83Å; D150-R152 PolarHBondContact O-N 3.25Å; R152-G154 PolarHBondContact O-N 2.78Å; R152-E155 VanDerWaalsContact O-CB 3.28Å; R152-E155 WeakPolarHBondContact O-CB 3.35Å; R152-E155 PolarHBondContact O-N 2.97Å; R152-E155 VanDerWaalsContact O-N 3.11Å; R152-P156 HydrophobicContact CB-CG 4.18Å; R152-P156 WeakPolarHBondContact O-CD 3.09Å; R152-D505 PolarHBondContact NH1-O 3.37Å; R152-E509 IonicContact CZ-OE1 2.89Å; R152-E509 IonicContact CZ-OE2 3.04Å; R152-E509 VanDerWaalsContact CZ-OE2 3.3Å; R152-E509 IonicContact NH1-OE1 3.1Å; R152-E509 IonicContact NH1-OE2 2.69Å; R152-E509 PolarHBondContact NH1-OE2 3.32Å; R152-E509 IonicContact NH2-OE1 3.88Å; R152-E509 PolarHBondContact NH2-OE1 3.37Å; R152-E509 IonicContact NH2-OE2 2.73Å; R152-E509 PolarHBondContact NH2-OE2 3.14Å
153	G	98.6	Very high	98.7	Very high	18 Å²	18	44.7 Å²	44.7	19%	0.186	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-127.2	175.5	0	0	0	0	0	112.7	D150 S384	D150-G153 PolarHBondContact O-N 2.82Å; D150-G153 VanDerWaalsContact O-N 3.15Å; G153-S384 WeakPolarHBondContact CA-OG 3.26Å; G153-S384 WeakPolarHBondContact O-CB 3.5Å; G153-S384 PolarHBondContact O-N 3.08Å; G153-S384 VanDerWaalsContact O-N 3.16Å; G153-S384 PolarHBondContact O-OG 3.39Å; G153-S384 VanDerWaalsContact O-OG 3.05Å
154	G	98.6	Very high	98.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	0.6	168.6	0	0	0	0	0	113.5	R152 P156 L157 L158 E259	R152-G154 PolarHBondContact O-N 2.78Å; G154-P156 VanDerWaalsContact C-N 3.32Å; G154-P156 VanDerWaalsContact O-N 3.12Å; G154-L157 WeakPolarHBondContact O-CA 3.46Å; G154-L157 WeakPolarHBondContact O-CB 3.36Å; G154-L157 PolarHBondContact O-N 3.33Å; G154-L158 PolarHBondContact O-N 3.49Å; G154-L158 VanDerWaalsContact O-N 3.1Å; G154-E259 WeakPolarHBondContact CA-OE2 3.28Å; G154-E259 VanDerWaalsContact N-CD 3.35Å; G154-E259 PolarHBondContact N-OE1 3.27Å; G154-E259 PolarHBondContact N-OE2 2.9Å; G154-E259 VanDerWaalsContact N-OE2 3.08Å
155	E	98.8	Very high	98.7	Very high	83 Å²	83	43.3 Å²	43.3	39%	0.388	24%	0.239	S	C	.	.	H	α-helix	trans	-46.7	-41.7	-177	-177.2	64.4	-161.2	0	0	114.7	R152 L157 L158 K159 E259	R152-E155 VanDerWaalsContact O-CB 3.28Å; R152-E155 WeakPolarHBondContact O-CB 3.35Å; R152-E155 PolarHBondContact O-N 2.97Å; R152-E155 VanDerWaalsContact O-N 3.11Å; E155-L157 VanDerWaalsContact C-N 3.29Å; E155-L157 PolarHBondContact O-N 3.02Å; E155-L158 PolarHBondContact O-N 3.46Å; E155-K159 WeakPolarHBondContact O-CG 3.46Å; E155-K159 PolarHBondContact O-N 2.88Å; E155-K159 WeakPolarHBondContact OE1-CE 3.4Å; E155-K159 IonicContact OE1-NZ 3.92Å; E155-E259 PolarHBondContact N-OE1 3.49Å
156	P	98.8	Very high	98.7	Very high	8 Å²	8	39.9 Å²	39.9	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-34.9	177.1	-22.4	35	0	0	0	113.2	R152 G154 L160 L383 F508	R152-P156 HydrophobicContact CB-CG 4.18Å; R152-P156 WeakPolarHBondContact O-CD 3.09Å; G154-P156 VanDerWaalsContact C-N 3.32Å; G154-P156 VanDerWaalsContact O-N 3.12Å; P156-L160 PolarHBondContact O-N 2.94Å; P156-L383 HydrophobicContact CB-CD2 4.42Å; P156-L383 HydrophobicContact CG-CD2 4.49Å; P156-F508 HydrophobicContact CB-CB 3.7Å; P156-F508 HydrophobicContact CB-CD1 3.29Å; P156-F508 HydrophobicContact CB-CD2 4.03Å; P156-F508 HydrophobicContact CB-CE1 3.82Å; P156-F508 HydrophobicContact CB-CE2 4.48Å; P156-F508 HydrophobicContact CB-CG 3.39Å; P156-F508 HydrophobicContact CB-CZ 4.38Å; P156-F508 HydrophobicContact CG-CB 4.19Å; P156-F508 HydrophobicContact CG-CG 4.31Å; P156-F508 WeakPolarHBondContact O-CE1 3.37Å
157	L	98.8	Very high	98.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.1	-44.2	173.6	175.7	63.3	0	0	0	110.7	G154 E155 K159 L160 L161 I256 I376 L379 L383 F508	G154-L157 WeakPolarHBondContact O-CA 3.46Å; G154-L157 WeakPolarHBondContact O-CB 3.36Å; G154-L157 PolarHBondContact O-N 3.33Å; E155-L157 VanDerWaalsContact C-N 3.29Å; E155-L157 PolarHBondContact O-N 3.02Å; L157-K159 VanDerWaalsContact C-N 3.25Å; L157-K159 PolarHBondContact O-N 2.77Å; L157-L160 HydrophobicContact CD1-CD2 4.47Å; L157-L160 WeakPolarHBondContact O-CA 3.49Å; L157-L160 WeakPolarHBondContact O-CB 3.41Å; L157-L160 PolarHBondContact O-N 2.94Å; L157-L161 HydrophobicContact CD1-CD2 4.15Å; L157-L161 HydrophobicContact CD1-CG 4.5Å; L157-L161 HydrophobicContact CG-CD2 4.44Å; L157-L161 HydrophobicContact CG-CG 4.43Å; L157-L161 WeakPolarHBondContact O-CG 3.42Å; L157-L161 PolarHBondContact O-N 3.16Å; L157-I256 HydrophobicContact CD2-CD1 3.91Å; L157-I256 HydrophobicContact CD2-CG1 4.48Å; L157-I376 HydrophobicContact CD1-CG1 4.2Å; L157-I376 HydrophobicContact CD2-CG1 4.5Å; L157-I376 HydrophobicContact CD2-CG2 4.07Å; L157-L379 HydrophobicContact CD1-CD1 3.82Å; L157-L383 HydrophobicContact CB-CD1 3.82Å; L157-L383 HydrophobicContact CB-CD2 4.14Å; L157-L383 HydrophobicContact CD2-CD1 3.83Å; L157-L383 HydrophobicContact CG-CD1 4.45Å; L157-F508 HydrophobicContact CB-CZ 4.28Å
158	L	98.8	Very high	98.7	Very high	17 Å²	17	33.2 Å²	33.2	9%	0.089	18%	0.179	C	C	.	.	H	α-helix	trans	-56.1	-42	178.4	-57.2	-176.2	0	0	0	111.6	G154 E155 L160 L161 P162 I256 E259 E260	G154-L158 PolarHBondContact O-N 3.49Å; G154-L158 VanDerWaalsContact O-N 3.1Å; E155-L158 PolarHBondContact O-N 3.46Å; L158-L160 VanDerWaalsContact C-N 3.27Å; L158-L160 PolarHBondContact O-N 3.09Å; L158-L161 HydrophobicContact CD2-CD1 4.33Å; L158-L161 PolarHBondContact O-N 3.24Å; L158-P162 VanDerWaalsContact O-CD 3.23Å; L158-P162 WeakPolarHBondContact O-CD 3.43Å; L158-I256 HydrophobicContact CD2-CB 4.41Å; L158-I256 HydrophobicContact CD2-CG1 4.38Å; L158-I256 HydrophobicContact CD2-CG2 3.65Å; L158-E259 HydrophobicContact CD1-CB 4.28Å; L158-E259 HydrophobicContact CD1-CG 3.91Å; L158-E260 HydrophobicContact CD1-CG 4.02Å; L158-E260 HydrophobicContact CD2-CG 3.93Å
159	K	98.8	Very high	98.7	Very high	137 Å²	137	32.4 Å²	32.4	60%	0.596	17%	0.172	S	C	*	.	H	α-helix	trans	-64.8	-28.5	174.4	-70.5	178.3	-176.9	174.7	0	113.8	E155 L157	E155-K159 WeakPolarHBondContact O-CG 3.46Å; E155-K159 PolarHBondContact O-N 2.88Å; E155-K159 WeakPolarHBondContact OE1-CE 3.4Å; E155-K159 IonicContact OE1-NZ 3.92Å; L157-K159 VanDerWaalsContact C-N 3.25Å; L157-K159 PolarHBondContact O-N 2.77Å
160	L	98.8	Very high	98.7	Very high	11 Å²	11	31.6 Å²	31.6	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-80.5	-35.1	179.5	-177.8	150.5	0	0	0	112.2	P156 L157 L158 P162 D163 I164 Y195 F375 L379 F508 I512	P156-L160 PolarHBondContact O-N 2.94Å; L157-L160 HydrophobicContact CD1-CD2 4.47Å; L157-L160 WeakPolarHBondContact O-CA 3.49Å; L157-L160 WeakPolarHBondContact O-CB 3.41Å; L157-L160 PolarHBondContact O-N 2.94Å; L158-L160 VanDerWaalsContact C-N 3.27Å; L158-L160 PolarHBondContact O-N 3.09Å; L160-P162 VanDerWaalsContact C-CD 3.49Å; L160-D163 WeakPolarHBondContact O-CB 3.29Å; L160-D163 PolarHBondContact O-N 2.93Å; L160-I164 HydrophobicContact CD2-CD1 3.88Å; L160-I164 HydrophobicContact CD2-CG1 4.13Å; L160-I164 HydrophobicContact CD2-CG2 4.14Å; L160-Y195 HydrophobicContact CD1-CE1 3.84Å; L160-Y195 HydrophobicContact CG-CE1 4.47Å; L160-F375 HydrophobicContact CD1-CE1 4.18Å; L160-F375 HydrophobicContact CD1-CZ 4.49Å; L160-F375 HydrophobicContact CD2-CD1 4.28Å; L160-F375 HydrophobicContact CD2-CE1 3.85Å; L160-L379 HydrophobicContact CD1-CD1 4.47Å; L160-F508 HydrophobicContact CB-CE1 4.45Å; L160-F508 HydrophobicContact CD1-CE1 4.01Å; L160-F508 HydrophobicContact CD1-CZ 4.2Å; L160-I512 HydrophobicContact CD1-CD1 3.44Å; L160-I512 VanDerWaalsContact CD1-CD1 3.44Å; L160-I512 HydrophobicContact CD1-CG1 3.92Å
161	L	98.8	Very high	98.7	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-51	-44.9	-173.1	-69.9	178.5	0	0	0	114.1	L157 L158 D163 I164 G166 W167 I256 I376	L157-L161 HydrophobicContact CD1-CD2 4.15Å; L157-L161 HydrophobicContact CD1-CG 4.5Å; L157-L161 HydrophobicContact CG-CD2 4.44Å; L157-L161 HydrophobicContact CG-CG 4.43Å; L157-L161 WeakPolarHBondContact O-CG 3.42Å; L157-L161 PolarHBondContact O-N 3.16Å; L158-L161 HydrophobicContact CD2-CD1 4.33Å; L158-L161 PolarHBondContact O-N 3.24Å; L161-D163 PolarHBondContact O-N 3.42Å; L161-I164 HydrophobicContact CD2-CD1 4.16Å; L161-I164 WeakPolarHBondContact O-CG1 3.36Å; L161-I164 PolarHBondContact O-N 3.1Å; L161-G166 VanDerWaalsContact O-CA 3.24Å; L161-G166 WeakPolarHBondContact O-CA 3.32Å; L161-G166 PolarHBondContact O-N 2.67Å; L161-W167 HydrophobicContact CD2-CB 4.28Å; L161-I256 HydrophobicContact CD1-CD1 4.42Å; L161-I256 HydrophobicContact CD1-CG2 4.2Å; L161-I376 HydrophobicContact CD2-CD1 3.79Å; L161-I376 HydrophobicContact CD2-CG1 4.22Å
162	P	98.8	Very high	98.7	Very high	69 Å²	69	28.9 Å²	28.9	45%	0.448	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-58.4	-31.4	178.3	-25.8	35.2	0	0	0	114.1	L158 L160 I164 Y165 Y178	L158-P162 VanDerWaalsContact O-CD 3.23Å; L158-P162 WeakPolarHBondContact O-CD 3.43Å; L160-P162 VanDerWaalsContact C-CD 3.49Å; P162-I164 PolarHBondContact O-N 3.42Å; P162-Y165 PolarHBondContact O-N 3.17Å; P162-Y178 WeakPolarHBondContact CA-OH 3.46Å
163	D	98.6	Very high	98.6	Very high	53 Å²	53	30.8 Å²	30.8	28%	0.283	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-74	-13.1	-179.2	-170.4	77	0	0	0	113.2	L160 L161 Q190 K194 Y195	L160-D163 WeakPolarHBondContact O-CB 3.29Å; L160-D163 PolarHBondContact O-N 2.93Å; L161-D163 PolarHBondContact O-N 3.42Å; D163-Q190 VanDerWaalsContact CG-NE2 3.33Å; D163-Q190 WeakPolarHBondContact O-CG 3.5Å; D163-Q190 PolarHBondContact O-NE2 2.88Å; D163-Q190 PolarHBondContact OD1-NE2 2.9Å; D163-Q190 PolarHBondContact OD2-NE2 2.94Å; D163-K194 IonicContact OD1-NZ 2.96Å; D163-K194 PolarHBondContact OD1-NZ 3.47Å; D163-K194 WeakPolarHBondContact OD2-CD 3.49Å; D163-K194 VanDerWaalsContact OD2-CE 3.25Å; D163-K194 WeakPolarHBondContact OD2-CE 3.41Å; D163-K194 IonicContact OD2-NZ 3.3Å; D163-K194 PolarHBondContact OD2-NZ 3.33Å; D163-Y195 WeakPolarHBondContact OD2-CE2 3.44Å; D163-Y195 VanDerWaalsContact OD2-CZ 3.32Å; D163-Y195 PolarHBondContact OD2-OH 3.02Å
164	I	98.5	Very high	98.7	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-115.4	26.7	176.2	62.1	167.3	0	0	0	112	L160 L161 P162 G166 L191 Y195 Q368 F375	L160-I164 HydrophobicContact CD2-CD1 3.88Å; L160-I164 HydrophobicContact CD2-CG1 4.13Å; L160-I164 HydrophobicContact CD2-CG2 4.14Å; L161-I164 HydrophobicContact CD2-CD1 4.16Å; L161-I164 WeakPolarHBondContact O-CG1 3.36Å; L161-I164 PolarHBondContact O-N 3.1Å; P162-I164 PolarHBondContact O-N 3.42Å; I164-G166 VanDerWaalsContact C-N 3.25Å; I164-G166 PolarHBondContact O-N 2.62Å; I164-L191 HydrophobicContact CB-CD2 4.11Å; I164-L191 HydrophobicContact CD1-CD2 4.46Å; I164-L191 HydrophobicContact CG2-CD2 3.76Å; I164-L191 HydrophobicContact CG2-CG 4.46Å; I164-Y195 HydrophobicContact CG2-CD2 3.88Å; I164-Y195 HydrophobicContact CG2-CE2 3.47Å; I164-Y195 VanDerWaalsContact CG2-CE2 3.47Å; I164-Q368 PolarHBondContact O-NE2 3.49Å; I164-F375 HydrophobicContact CD1-CD1 4.16Å; I164-F375 HydrophobicContact CG2-CD1 4.47Å
165	Y	98.8	Very high	98.6	Very high	42 Å²	42	34.1 Å²	34.1	17%	0.165	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	27.5	-176.3	-61.1	-91.3	0	0	0	114.1	P162 W174 Y178 K186 A187 Q190	P162-Y165 PolarHBondContact O-N 3.17Å; Y165-W174 PolarHBondContact O-NE1 3.47Å; Y165-Y178 HydrophobicContact CD1-CD1 4.48Å; Y165-K186 HydrophobicContact CE2-CB 4.42Å; Y165-K186 WeakPolarHBondContact OH-CB 3.34Å; Y165-A187 HydrophobicContact CD2-CB 4.04Å; Y165-A187 HydrophobicContact CE2-CB 4.29Å; Y165-Q190 HydrophobicContact CE2-CB 4.37Å
166	G	98.6	Very high	98.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.			trans	70.8	-177.6	177	0	0	0	0	0	114.4	L161 I164 S372	L161-G166 VanDerWaalsContact O-CA 3.24Å; L161-G166 WeakPolarHBondContact O-CA 3.32Å; L161-G166 PolarHBondContact O-N 2.67Å; I164-G166 VanDerWaalsContact C-N 3.25Å; I164-G166 PolarHBondContact O-N 2.62Å; G166-S372 PolarHBondContact O-OG 2.82Å
167	W	98.9	Very high	98.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.			trans	-122.2	106.6	166.7	-169.7	28	0	0	0	108.4	L161 V169 A170 T171 V252 A253 I256 M273 N369 W373 I376	L161-W167 HydrophobicContact CD2-CB 4.28Å; W167-V169 VanDerWaalsContact C-N 3.31Å; W167-V169 HydrophobicContact CD2-CG1 3.54Å; W167-V169 HydrophobicContact CE3-CG1 3.99Å; W167-V169 HydrophobicContact CG-CG1 3.98Å; W167-V169 HydrophobicContact CH2-CG1 4.19Å; W167-V169 HydrophobicContact CZ2-CG1 3.74Å; W167-V169 HydrophobicContact CZ3-CG1 4.3Å; W167-V169 PolarHBondContact O-N 3.18Å; W167-A170 HydrophobicContact CE3-CB 4.05Å; W167-A170 CarbonylContact O-C 3.55Å; W167-A170 WeakPolarHBondContact O-CA 3.35Å; W167-A170 PolarHBondContact O-N 3.24Å; W167-T171 WeakPolarHBondContact O-CB 3.33Å; W167-T171 PolarHBondContact O-N 2.96Å; W167-T171 VanDerWaalsContact O-N 3.14Å; W167-T171 PolarHBondContact O-OG1 3.3Å; W167-V252 HydrophobicContact CH2-CB 4.33Å; W167-V252 HydrophobicContact CH2-CG1 4.41Å; W167-V252 HydrophobicContact CZ3-CB 4.32Å; W167-V252 HydrophobicContact CZ3-CG1 4.01Å; W167-A253 HydrophobicContact CH2-CB 3.76Å; W167-A253 HydrophobicContact CZ2-CB 4.5Å; W167-A253 HydrophobicContact CZ3-CB 3.81Å; W167-I256 HydrophobicContact CE3-CD1 3.73Å; W167-I256 HydrophobicContact CZ3-CD1 3.82Å; W167-M273 HydrophobicContact CH2-SD 4.49Å; W167-M273 HydrophobicContact CZ2-SD 3.76Å; W167-N369 PolarHBondContact NE1-O 2.89Å; W167-W373 AromaticContact CH2-CE3 3.78Å; W167-W373 HydrophobicContact CH2-CE3 3.78Å; W167-W373 HydrophobicContact CH2-CZ3 4.23Å; W167-W373 HydrophobicContact CZ2-CB 3.99Å; W167-W373 HydrophobicContact CZ2-CD2 4.36Å; W167-W373 AromaticContact CZ2-CE3 3.75Å; W167-W373 HydrophobicContact CZ2-CE3 3.75Å; W167-W373 HydrophobicContact CZ2-CG 4.48Å; W167-I376 HydrophobicContact CB-CD1 3.88Å; W167-I376 HydrophobicContact CD2-CD1 3.49Å; W167-I376 VanDerWaalsContact CD2-CD1 3.49Å; W167-I376 HydrophobicContact CE3-CD1 3.46Å; W167-I376 VanDerWaalsContact CE3-CD1 3.46Å; W167-I376 HydrophobicContact CG-CD1 3.7Å; W167-I376 HydrophobicContact CZ3-CD1 4.12Å; W167-I376 HydrophobicContact CZ3-CG2 4.48Å
168	P	98.9	Very high	98.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-54.4	-40.3	-166.2	-20.3	19.4	0	0	0	115.4	A170 T171 W174 R365 Q368 N369	P168-A170 PolarHBondContact O-N 3.11Å; P168-T171 PolarHBondContact O-N 2.98Å; P168-T171 VanDerWaalsContact O-O 3.12Å; P168-W174 HydrophobicContact CB-CB 4.14Å; P168-W174 HydrophobicContact CB-CD2 3.9Å; P168-W174 HydrophobicContact CB-CE3 4.47Å; P168-W174 HydrophobicContact CB-CG 3.68Å; P168-W174 HydrophobicContact CG-CD2 3.76Å; P168-W174 HydrophobicContact CG-CE3 4.37Å; P168-W174 HydrophobicContact CG-CG 3.93Å; P168-W174 HydrophobicContact CG-CZ2 4.23Å; P168-R365 HydrophobicContact CB-CG 3.49Å; P168-R365 VanDerWaalsContact CB-CG 3.49Å; P168-R365 HydrophobicContact CG-CG 3.93Å; P168-R365 PolarHBondContact O-NH2 3.32Å; P168-Q368 HydrophobicContact CG-CB 3.94Å; P168-Q368 HydrophobicContact CG-CG 4.22Å; P168-N369 WeakPolarHBondContact CB-OD1 3.24Å; P168-N369 VanDerWaalsContact CD-OD1 3.26Å; P168-N369 WeakPolarHBondContact CD-OD1 3.39Å; P168-N369 HydrophobicContact CG-CB 4.43Å; P168-N369 WeakPolarHBondContact CG-OD1 3.33Å
169	V	98.8	Very high	98.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-59.7	-28.8	177.8	67.4	0	0	0	0	112.7	W167 A253 R257 L269 E272 M273 N369	W167-V169 VanDerWaalsContact C-N 3.31Å; W167-V169 HydrophobicContact CD2-CG1 3.54Å; W167-V169 HydrophobicContact CE3-CG1 3.99Å; W167-V169 HydrophobicContact CG-CG1 3.98Å; W167-V169 HydrophobicContact CH2-CG1 4.19Å; W167-V169 HydrophobicContact CZ2-CG1 3.74Å; W167-V169 HydrophobicContact CZ3-CG1 4.3Å; W167-V169 PolarHBondContact O-N 3.18Å; V169-A253 HydrophobicContact CG1-CB 3.87Å; V169-A253 HydrophobicContact CG2-CB 4.16Å; V169-R257 PolarHBondContact O-NH1 2.84Å; V169-L269 HydrophobicContact CG2-CD2 3.47Å; V169-L269 VanDerWaalsContact CG2-CD2 3.47Å; V169-E272 HydrophobicContact CB-CB 4.44Å; V169-E272 HydrophobicContact CG2-CB 4.06Å; V169-M273 HydrophobicContact CB-CE 3.61Å; V169-M273 HydrophobicContact CG1-CE 3.67Å; V169-M273 HydrophobicContact CG1-SD 4.13Å; V169-M273 HydrophobicContact CG2-CE 3.79Å; V169-M273 HydrophobicContact CG2-SD 4.47Å; V169-N369 PolarHBondContact N-OD1 3.22Å
170	A	98.6	Very high	98.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-104.7	9.7	179	0	0	0	0	0	112.9	W167 P168 I256 R257 L262	W167-A170 HydrophobicContact CE3-CB 4.05Å; W167-A170 CarbonylContact O-C 3.55Å; W167-A170 WeakPolarHBondContact O-CA 3.35Å; W167-A170 PolarHBondContact O-N 3.24Å; P168-A170 PolarHBondContact O-N 3.11Å; A170-I256 HydrophobicContact CB-CB 4.08Å; A170-I256 HydrophobicContact CB-CG2 3.58Å; A170-R257 HydrophobicContact CB-CG 4.2Å; A170-L262 VanDerWaalsContact O-CD1 3.29Å; A170-L262 WeakPolarHBondContact O-CD1 3.37Å
171	T	98.7	Very high	98.2	Very high	15 Å²	15	44.4 Å²	44.4	9%	0.092	24%	0.243	C	C	.	.	S	Bend	trans	-123.6	122.4	-176.2	-57.2	0	0	0	0	111	W167 P168 W174 K177 Y178	W167-T171 WeakPolarHBondContact O-CB 3.33Å; W167-T171 PolarHBondContact O-N 2.96Å; W167-T171 VanDerWaalsContact O-N 3.14Å; W167-T171 PolarHBondContact O-OG1 3.3Å; P168-T171 PolarHBondContact O-N 2.98Å; P168-T171 VanDerWaalsContact O-O 3.12Å; T171-W174 HydrophobicContact CG2-CB 4.08Å; T171-W174 HydrophobicContact CG2-CG 4.47Å; T171-K177 HydrophobicContact CG2-CD 4.04Å; T171-Y178 HydrophobicContact CG2-CD2 4.32Å; T171-Y178 HydrophobicContact CG2-CE2 3.87Å
172	E	97.9	Very high	98.2	Very high	82 Å²	82	44.4 Å²	44.4	38%	0.383	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	137.3	169.6	-69.8	-172.8	151.4	0	0	112.1	W174 K177 L262 P263	E172-W174 VanDerWaalsContact C-N 3.29Å; E172-W174 PolarHBondContact O-N 2.95Å; E172-K177 WeakPolarHBondContact O-CD 3.35Å; E172-K177 VanDerWaalsContact O-CE 3.29Å; E172-K177 WeakPolarHBondContact O-CE 3.43Å; E172-K177 PolarHBondContact O-NZ 3.17Å; E172-L262 HydrophobicContact CG-CD1 4.23Å; E172-L262 HydrophobicContact CG-CD2 3.87Å; E172-P263 WeakPolarHBondContact OE1-CD 3.48Å
173	N	97.8	Very high	98.2	Very high	103 Å²	103	42.4 Å²	42.4	55%	0.551	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	44.5	177.3	-59.6	-47.4	0	0	0	112.1	E175 Q176 K177	N173-E175 VanDerWaalsContact C-N 3.27Å; N173-E175 PolarHBondContact O-N 2.79Å; N173-Q176 HydrophobicContact CB-CB 4.49Å; N173-Q176 VanDerWaalsContact CB-OE1 3.25Å; N173-Q176 PolarHBondContact O-N 3.22Å; N173-Q176 PolarHBondContact O-OE1 3.02Å; N173-K177 PolarHBondContact O-N 3.23Å
174	W	98.7	Very high	98.2	Very high	3 Å²	3	40 Å²	40	1%	0.011	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-38.3	-175.9	-178.8	90.4	0	0	0	112	Y165 P168 T171 E172 Q176 K177 Y178 G179 W182 A364 R365 Q368	Y165-W174 PolarHBondContact O-NE1 3.47Å; P168-W174 HydrophobicContact CB-CB 4.14Å; P168-W174 HydrophobicContact CB-CD2 3.9Å; P168-W174 HydrophobicContact CB-CE3 4.47Å; P168-W174 HydrophobicContact CB-CG 3.68Å; P168-W174 HydrophobicContact CG-CD2 3.76Å; P168-W174 HydrophobicContact CG-CE3 4.37Å; P168-W174 HydrophobicContact CG-CG 3.93Å; P168-W174 HydrophobicContact CG-CZ2 4.23Å; T171-W174 HydrophobicContact CG2-CB 4.08Å; T171-W174 HydrophobicContact CG2-CG 4.47Å; E172-W174 VanDerWaalsContact C-N 3.29Å; E172-W174 PolarHBondContact O-N 2.95Å; W174-Q176 VanDerWaalsContact C-N 3.29Å; W174-Q176 PolarHBondContact O-N 3.28Å; W174-K177 PolarHBondContact O-N 2.94Å; W174-Y178 AromaticContact CD1-CD2 3.43Å; W174-Y178 VanDerWaalsContact CD1-CD2 3.43Å; W174-Y178 HydrophobicContact CG-CD2 4.16Å; W174-Y178 AromaticContact NE1-CD2 3.51Å; W174-Y178 AromaticContact NE1-CG 3.94Å; W174-Y178 PolarHBondContact O-N 3.46Å; W174-G179 PolarHBondContact O-N 2.9Å; W174-G179 VanDerWaalsContact O-N 3.09Å; W174-W182 HydrophobicContact CH2-CB 4.45Å; W174-W182 AromaticContact CH2-CD1 3.91Å; W174-W182 HydrophobicContact CH2-CG 4.12Å; W174-W182 AromaticContact CZ2-CD1 3.93Å; W174-A364 HydrophobicContact CH2-CB 4.03Å; W174-A364 HydrophobicContact CZ3-CB 4.2Å; W174-R365 HydrophobicContact CE3-CB 4.12Å; W174-R365 HydrophobicContact CE3-CG 4.19Å; W174-R365 HydrophobicContact CZ3-CB 4.01Å; W174-Q368 HydrophobicContact CH2-CB 4.17Å; W174-Q368 HydrophobicContact CZ2-CB 3.73Å; W174-Q368 HydrophobicContact CZ2-CG 3.75Å
175	E	98.6	Very high	98.2	Very high	85 Å²	85	40.8 Å²	40.8	40%	0.397	22%	0.221	S	C	.	.	I	π-helix	trans	-60.9	-39.9	179.3	-66.7	69.9	-153.8	0	0	111.3	N173 G179 A180 R365	N173-E175 VanDerWaalsContact C-N 3.27Å; N173-E175 PolarHBondContact O-N 2.79Å; E175-G179 CarbonylContact O-C 3.58Å; E175-G179 VanDerWaalsContact O-CA 3.23Å; E175-G179 WeakPolarHBondContact O-CA 3.26Å; E175-G179 PolarHBondContact O-N 3.49Å; E175-G179 VanDerWaalsContact O-N 3.15Å; E175-A180 PolarHBondContact O-N 3.14Å; E175-R365 VanDerWaalsContact OE1-CD 3.26Å; E175-R365 WeakPolarHBondContact OE1-CD 3.47Å; E175-R365 IonicContact OE1-CZ 3.06Å; E175-R365 IonicContact OE1-NE 2.83Å; E175-R365 IonicContact OE1-NH1 3.42Å; E175-R365 PolarHBondContact OE1-NH1 3.42Å; E175-R365 IonicContact OE2-NH1 3.83Å; E175-R365 PolarHBondContact OE2-NH1 3.21Å
176	Q	98.2	Very high	98.2	Very high	131 Å²	131	42.6 Å²	42.6	61%	0.612	23%	0.23	S	C	*	.	I	π-helix	trans	-75	-40.6	177.2	-62.7	82.5	-2.4	0	0	112	N173 W174	N173-Q176 HydrophobicContact CB-CB 4.49Å; N173-Q176 VanDerWaalsContact CB-OE1 3.25Å; N173-Q176 PolarHBondContact O-N 3.22Å; N173-Q176 PolarHBondContact O-OE1 3.02Å; W174-Q176 VanDerWaalsContact C-N 3.29Å; W174-Q176 PolarHBondContact O-N 3.28Å
177	K	98.1	Very high	98.2	Very high	120 Å²	120	42.7 Å²	42.7	52%	0.522	23%	0.23	S	C	.	.	I	π-helix	trans	-73.1	-44.6	-177.4	-72.6	177.5	-179.9	164.3	0	112.9	T171 E172 N173 W174	T171-K177 HydrophobicContact CG2-CD 4.04Å; E172-K177 WeakPolarHBondContact O-CD 3.35Å; E172-K177 VanDerWaalsContact O-CE 3.29Å; E172-K177 WeakPolarHBondContact O-CE 3.43Å; E172-K177 PolarHBondContact O-NZ 3.17Å; N173-K177 PolarHBondContact O-N 3.23Å; W174-K177 PolarHBondContact O-N 2.94Å
178	Y	98.5	Very high	98.2	Very high	42 Å²	42	42.7 Å²	42.7	17%	0.165	23%	0.23	C	C	.	.	I	π-helix	trans	-123.7	-43.3	-170.9	-57.6	-71.2	0	0	0	112	P162 Y165 T171 W174 A180 S181 W182	P162-Y178 WeakPolarHBondContact CA-OH 3.46Å; Y165-Y178 HydrophobicContact CD1-CD1 4.48Å; T171-Y178 HydrophobicContact CG2-CD2 4.32Å; T171-Y178 HydrophobicContact CG2-CE2 3.87Å; W174-Y178 AromaticContact CD1-CD2 3.43Å; W174-Y178 VanDerWaalsContact CD1-CD2 3.43Å; W174-Y178 HydrophobicContact CG-CD2 4.16Å; W174-Y178 AromaticContact NE1-CD2 3.51Å; W174-Y178 AromaticContact NE1-CG 3.94Å; W174-Y178 PolarHBondContact O-N 3.46Å; Y178-A180 PolarHBondContact O-N 3.25Å; Y178-A180 VanDerWaalsContact O-N 3.12Å; Y178-S181 PolarHBondContact O-N 3.4Å; Y178-S181 PolarHBondContact O-OG 3.37Å; Y178-W182 WeakPolarHBondContact O-CB 3.48Å; Y178-W182 PolarHBondContact O-N 3.37Å
179	G	97.1	Very high	98.2	Very high	20 Å²	20	42.8 Å²	42.8	21%	0.206	23%	0.231	C	C	.	.	I	π-helix	trans	-54	-35.1	-175.4	0	0	0	0	0	114.5	W174 E175 S181 W182	W174-G179 PolarHBondContact O-N 2.9Å; W174-G179 VanDerWaalsContact O-N 3.09Å; E175-G179 CarbonylContact O-C 3.58Å; E175-G179 VanDerWaalsContact O-CA 3.23Å; E175-G179 WeakPolarHBondContact O-CA 3.26Å; E175-G179 PolarHBondContact O-N 3.49Å; E175-G179 VanDerWaalsContact O-N 3.15Å; G179-S181 VanDerWaalsContact C-N 3.31Å; G179-S181 PolarHBondContact O-N 3.18Å; G179-W182 PolarHBondContact O-N 3.34Å
180	A	95.8	Very high	98.2	Very high	89 Å²	89	45 Å²	45	74%	0.736	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-34.6	177	0	0	0	0	0	114	E175 Y178	E175-A180 PolarHBondContact O-N 3.14Å; Y178-A180 PolarHBondContact O-N 3.25Å; Y178-A180 VanDerWaalsContact O-N 3.12Å
181	S	96.4	Very high	98.3	Very high	70 Å²	70	45 Å²	45	49%	0.49	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-4.7	179.8	70.4	0	0	0	0	113.4	Y178 G179	Y178-S181 PolarHBondContact O-N 3.4Å; Y178-S181 PolarHBondContact O-OG 3.37Å; G179-S181 VanDerWaalsContact C-N 3.31Å; G179-S181 PolarHBondContact O-N 3.18Å
182	W	98.7	Very high	98.3	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.015	24%	0.237	C	C	.	.			trans	-70.1	135.2	-172.9	-170.9	95.3	0	0	0	111.5	W174 Y178 G179 A184 A187 I316 N317 A364 L367	W174-W182 HydrophobicContact CH2-CB 4.45Å; W174-W182 AromaticContact CH2-CD1 3.91Å; W174-W182 HydrophobicContact CH2-CG 4.12Å; W174-W182 AromaticContact CZ2-CD1 3.93Å; Y178-W182 WeakPolarHBondContact O-CB 3.48Å; Y178-W182 PolarHBondContact O-N 3.37Å; G179-W182 PolarHBondContact O-N 3.34Å; W182-A184 HydrophobicContact CH2-CB 3.77Å; W182-A184 HydrophobicContact CZ2-CB 4.48Å; W182-A184 HydrophobicContact CZ3-CB 4.15Å; W182-A187 HydrophobicContact CZ2-CB 4.14Å; W182-A187 VanDerWaalsContact NE1-CB 3.31Å; W182-I316 HydrophobicContact CH2-CG2 3.97Å; W182-I316 HydrophobicContact CZ3-CG2 4.26Å; W182-N317 HydrophobicContact CE3-CB 4.37Å; W182-N317 HydrophobicContact CZ3-CB 3.79Å; W182-A364 HydrophobicContact CD2-CB 3.62Å; W182-A364 HydrophobicContact CE3-CB 3.35Å; W182-A364 HydrophobicContact CG-CB 4.24Å; W182-A364 HydrophobicContact CH2-CB 4.14Å; W182-A364 HydrophobicContact CZ2-CB 4.37Å; W182-A364 HydrophobicContact CZ3-CB 3.65Å; W182-L367 HydrophobicContact CH2-CD1 4.02Å; W182-L367 HydrophobicContact CZ2-CB 4.42Å
183	T	98.6	Very high	98.3	Very high	28 Å²	28	40.8 Å²	40.8	17%	0.172	22%	0.221	C	C	.	.			trans	-140.4	142.8	169.3	56.5	0	0	0	0	107.4	E185 K186 A187	T183-E185 VanDerWaalsContact C-N 3.26Å; T183-E185 PolarHBondContact O-N 3.38Å; T183-K186 PolarHBondContact O-N 2.99Å; T183-K186 WeakPolarHBondContact OG1-CB 3.4Å; T183-K186 WeakPolarHBondContact OG1-CD 3.41Å; T183-K186 VanDerWaalsContact OG1-CG 3.26Å; T183-K186 WeakPolarHBondContact OG1-CG 3.01Å; T183-K186 PolarHBondContact OG1-N 3.32Å; T183-A187 WeakPolarHBondContact O-CB 3.39Å; T183-A187 PolarHBondContact O-N 3.12Å
184	A	98.7	Very high	98.3	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-40.9	-178.8	0	0	0	0	0	111.6	W182 K186 A187 I188 I316 F321	W182-A184 HydrophobicContact CH2-CB 3.77Å; W182-A184 HydrophobicContact CZ2-CB 4.48Å; W182-A184 HydrophobicContact CZ3-CB 4.15Å; A184-K186 PolarHBondContact O-N 2.8Å; A184-A187 PolarHBondContact O-N 3.29Å; A184-I188 HydrophobicContact CB-CD1 4.33Å; A184-I188 WeakPolarHBondContact O-CB 3.09Å; A184-I188 WeakPolarHBondContact O-CD1 3.14Å; A184-I188 WeakPolarHBondContact O-CG1 3.27Å; A184-I188 PolarHBondContact O-N 2.91Å; A184-I316 HydrophobicContact CB-CB 3.95Å; A184-I316 HydrophobicContact CB-CD1 3.64Å; A184-I316 HydrophobicContact CB-CG1 4.39Å; A184-I316 HydrophobicContact CB-CG2 3.73Å; A184-F321 HydrophobicContact CB-CD2 4.01Å; A184-F321 HydrophobicContact CB-CE2 4.04Å
185	E	98.7	Very high	98.3	Very high	18 Å²	18	39 Å²	39	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-53.4	-57.3	177.8	-62.5	87	160	0	0	110.8	T183 A189 F321 S322 N325 F326	T183-E185 VanDerWaalsContact C-N 3.26Å; T183-E185 PolarHBondContact O-N 3.38Å; E185-A189 WeakPolarHBondContact O-CB 3.42Å; E185-A189 PolarHBondContact O-N 3.35Å; E185-F321 HydrophobicContact CB-CE2 4.33Å; E185-F321 HydrophobicContact CG-CD2 3.82Å; E185-F321 HydrophobicContact CG-CE2 3.66Å; E185-F321 HydrophobicContact CG-CG 4.46Å; E185-F321 HydrophobicContact CG-CZ 4.16Å; E185-F321 WeakPolarHBondContact OE1-CA 3.27Å; E185-S322 PolarHBondContact OE1-N 2.72Å; E185-N325 WeakPolarHBondContact CB-OD1 3.48Å; E185-N325 HydrophobicContact CG-CB 4.47Å; E185-F326 HydrophobicContact CB-CB 4.07Å; E185-F326 HydrophobicContact CG-CB 3.96Å
186	K	98.8	Very high	98.3	Very high	80 Å²	80	36.1 Å²	36.1	35%	0.348	20%	0.202	S	C	.	.	H	α-helix	trans	-65.7	-44	179.7	-65.1	-179.8	178.6	-177.6	0	113.3	Y165 T183 A184 I188 A189 Q190 E329	Y165-K186 HydrophobicContact CE2-CB 4.42Å; Y165-K186 WeakPolarHBondContact OH-CB 3.34Å; T183-K186 PolarHBondContact O-N 2.99Å; T183-K186 WeakPolarHBondContact OG1-CB 3.4Å; T183-K186 WeakPolarHBondContact OG1-CD 3.41Å; T183-K186 VanDerWaalsContact OG1-CG 3.26Å; T183-K186 WeakPolarHBondContact OG1-CG 3.01Å; T183-K186 PolarHBondContact OG1-N 3.32Å; A184-K186 PolarHBondContact O-N 2.8Å; K186-I188 PolarHBondContact O-N 2.8Å; K186-A189 PolarHBondContact O-N 2.98Å; K186-Q190 WeakPolarHBondContact O-CB 3.45Å; K186-Q190 PolarHBondContact O-N 3.38Å; K186-E329 VanDerWaalsContact CE-OE1 3.25Å; K186-E329 WeakPolarHBondContact CE-OE1 3.41Å; K186-E329 HydrophobicContact CG-CG 4.19Å
187	A	98.9	Very high	98.3	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-42.2	-176.8	0	0	0	0	0	111.9	Y165 W182 T183 A184 M371	Y165-A187 HydrophobicContact CD2-CB 4.04Å; Y165-A187 HydrophobicContact CE2-CB 4.29Å; W182-A187 HydrophobicContact CZ2-CB 4.14Å; W182-A187 VanDerWaalsContact NE1-CB 3.31Å; T183-A187 WeakPolarHBondContact O-CB 3.39Å; T183-A187 PolarHBondContact O-N 3.12Å; A184-A187 PolarHBondContact O-N 3.29Å; A187-M371 VanDerWaalsContact C-CE 3.42Å; A187-M371 HydrophobicContact CB-CE 3.71Å; A187-M371 WeakPolarHBondContact O-CE 3.15Å
188	I	98.9	Very high	98.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-71.2	-44.6	175.9	-59	165.1	0	0	0	109.8	A184 K186 Q190 L191 N192 V199 L200 F321 F326 M371	A184-I188 HydrophobicContact CB-CD1 4.33Å; A184-I188 WeakPolarHBondContact O-CB 3.09Å; A184-I188 WeakPolarHBondContact O-CD1 3.14Å; A184-I188 WeakPolarHBondContact O-CG1 3.27Å; A184-I188 PolarHBondContact O-N 2.91Å; K186-I188 PolarHBondContact O-N 2.8Å; I188-Q190 VanDerWaalsContact C-N 3.31Å; I188-Q190 PolarHBondContact O-N 2.83Å; I188-L191 PolarHBondContact O-N 3.23Å; I188-N192 WeakPolarHBondContact O-CB 3.4Å; I188-N192 PolarHBondContact O-N 3.4Å; I188-V199 WeakPolarHBondContact CG2-O 3.33Å; I188-L200 HydrophobicContact CD1-CB 4.25Å; I188-L200 HydrophobicContact CD1-CD1 4.06Å; I188-L200 HydrophobicContact CG1-CD1 4.35Å; I188-F321 HydrophobicContact CD1-CE2 4.33Å; I188-F326 HydrophobicContact CB-CE2 3.89Å; I188-F326 HydrophobicContact CG2-CE2 3.58Å; I188-F326 HydrophobicContact CG2-CZ 3.91Å; I188-M371 HydrophobicContact CB-CE 4.27Å; I188-M371 HydrophobicContact CG1-CE 3.6Å; I188-M371 HydrophobicContact CG1-SD 4.11Å
189	A	98.9	Very high	98.3	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-37.2	179.7	0	0	0	0	0	112.8	E185 K186 N192 S193 F326 E329 I330	E185-A189 WeakPolarHBondContact O-CB 3.42Å; E185-A189 PolarHBondContact O-N 3.35Å; K186-A189 PolarHBondContact O-N 2.98Å; A189-N192 PolarHBondContact O-N 3.49Å; A189-S193 VanDerWaalsContact O-CB 3.28Å; A189-S193 WeakPolarHBondContact O-CB 3.35Å; A189-S193 PolarHBondContact O-N 3.41Å; A189-S193 PolarHBondContact O-OG 2.99Å; A189-F326 HydrophobicContact CB-CD2 4.17Å; A189-F326 HydrophobicContact CB-CE2 4.27Å; A189-E329 HydrophobicContact CB-CB 3.56Å; A189-I330 HydrophobicContact CB-CD1 4.35Å; A189-I330 HydrophobicContact CB-CG1 3.53Å
190	Q	98.8	Very high	98.4	Very high	48 Å²	48	25.2 Å²	25.2	22%	0.224	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-48.5	178.6	-177	68.1	11.6	0	0	111.8	D163 Y165 K186 I188 N192 K194	D163-Q190 VanDerWaalsContact CG-NE2 3.33Å; D163-Q190 WeakPolarHBondContact O-CG 3.5Å; D163-Q190 PolarHBondContact O-NE2 2.88Å; D163-Q190 PolarHBondContact OD1-NE2 2.9Å; D163-Q190 PolarHBondContact OD2-NE2 2.94Å; Y165-Q190 HydrophobicContact CE2-CB 4.37Å; K186-Q190 WeakPolarHBondContact O-CB 3.45Å; K186-Q190 PolarHBondContact O-N 3.38Å; I188-Q190 VanDerWaalsContact C-N 3.31Å; I188-Q190 PolarHBondContact O-N 2.83Å; Q190-N192 VanDerWaalsContact C-N 3.32Å; Q190-N192 PolarHBondContact O-N 3.38Å; Q190-K194 WeakPolarHBondContact O-CB 3.45Å; Q190-K194 PolarHBondContact O-N 3.49Å
191	L	98.9	Very high	98.6	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-40.7	175.2	-77.9	169.5	0	0	0	111.4	I164 I188 Y195 G196 K197 V199 M371 F375	I164-L191 HydrophobicContact CB-CD2 4.11Å; I164-L191 HydrophobicContact CD1-CD2 4.46Å; I164-L191 HydrophobicContact CG2-CD2 3.76Å; I164-L191 HydrophobicContact CG2-CG 4.46Å; I188-L191 PolarHBondContact O-N 3.23Å; L191-Y195 CarbonylContact O-C 3.55Å; L191-Y195 WeakPolarHBondContact O-CB 3.45Å; L191-Y195 PolarHBondContact O-N 3.33Å; L191-G196 PolarHBondContact O-N 3.14Å; L191-K197 CarbonylContact C-O 3.57Å; L191-K197 HydrophobicContact CB-CB 4.34Å; L191-K197 PolarHBondContact O-N 2.89Å; L191-V199 HydrophobicContact CB-CG2 4.49Å; L191-V199 HydrophobicContact CD1-CG2 3.76Å; L191-M371 HydrophobicContact CD1-CB 3.84Å; L191-M371 HydrophobicContact CD1-CE 4Å; L191-F375 HydrophobicContact CD2-CB 4Å; L191-F375 HydrophobicContact CD2-CD1 3.65Å; L191-F375 HydrophobicContact CD2-CE1 4.46Å; L191-F375 HydrophobicContact CD2-CG 4.1Å
192	N	98.8	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.4	-61.9	-179.8	-175	-52.4	0	0	0	112	I188 A189 Q190 G196 K197 L203 I330 Q519	I188-N192 WeakPolarHBondContact O-CB 3.4Å; I188-N192 PolarHBondContact O-N 3.4Å; A189-N192 PolarHBondContact O-N 3.49Å; Q190-N192 VanDerWaalsContact C-N 3.32Å; Q190-N192 PolarHBondContact O-N 3.38Å; N192-G196 WeakPolarHBondContact O-CA 3.22Å; N192-G196 PolarHBondContact O-N 3.29Å; N192-K197 WeakPolarHBondContact CA-O 3.44Å; N192-K197 PolarHBondContact N-O 2.93Å; N192-L203 PolarHBondContact ND2-O 3.41Å; N192-I330 HydrophobicContact CB-CD1 3.93Å; N192-I330 HydrophobicContact CB-CG1 4.36Å; N192-Q519 VanDerWaalsContact O-CG 3.27Å; N192-Q519 WeakPolarHBondContact O-CG 3.5Å; N192-Q519 PolarHBondContact O-NE2 3.3Å; N192-Q519 PolarHBondContact OD1-NE2 3.29Å; N192-Q519 VanDerWaalsContact OD1-NE2 3.17Å
193	S	98.3	Very high	98.7	Very high	8 Å²	8	18.7 Å²	18.7	6%	0.056	10%	0.096	C	C	.	.	H	α-helix	trans	-71.8	-36.2	-168	61.4	0	0	0	0	113.7	A189 T333 Q519	A189-S193 VanDerWaalsContact O-CB 3.28Å; A189-S193 WeakPolarHBondContact O-CB 3.35Å; A189-S193 PolarHBondContact O-N 3.41Å; A189-S193 PolarHBondContact O-OG 2.99Å; S193-T333 WeakPolarHBondContact OG-CG2 3.28Å; S193-Q519 WeakPolarHBondContact O-CG 3.28Å
194	K	98.2	Very high	98.7	Very high	59 Å²	59	19.5 Å²	19.5	26%	0.257	10%	0.097	S	C	.	.	H	α-helix	trans	-93.3	-32.3	-175.4	-165.9	170.3	179.9	176.6	0	112.8	D163 Q190 K516	D163-K194 IonicContact OD1-NZ 2.96Å; D163-K194 PolarHBondContact OD1-NZ 3.47Å; D163-K194 WeakPolarHBondContact OD2-CD 3.49Å; D163-K194 VanDerWaalsContact OD2-CE 3.25Å; D163-K194 WeakPolarHBondContact OD2-CE 3.41Å; D163-K194 IonicContact OD2-NZ 3.3Å; D163-K194 PolarHBondContact OD2-NZ 3.33Å; Q190-K194 WeakPolarHBondContact O-CB 3.45Å; Q190-K194 PolarHBondContact O-N 3.49Å; K194-K516 VanDerWaalsContact CE-CE 3.48Å; K194-K516 HydrophobicContact CG-CD 4.29Å; K194-K516 HydrophobicContact CG-CG 3.95Å; K194-K516 WeakPolarHBondContact O-CA 3.42Å; K194-K516 WeakPolarHBondContact O-CG 3.15Å
195	Y	98.6	Very high	98.7	Very high	9 Å²	9	19.6 Å²	19.6	4%	0.035	10%	0.098	C	C	.	.	H	α-helix	trans	-119.5	0.1	-173	-58	-71.2	0	0	0	113.7	L160 D163 I164 L191 K197 F375 I512	L160-Y195 HydrophobicContact CD1-CE1 3.84Å; L160-Y195 HydrophobicContact CG-CE1 4.47Å; D163-Y195 WeakPolarHBondContact OD2-CE2 3.44Å; D163-Y195 VanDerWaalsContact OD2-CZ 3.32Å; D163-Y195 PolarHBondContact OD2-OH 3.02Å; I164-Y195 HydrophobicContact CG2-CD2 3.88Å; I164-Y195 HydrophobicContact CG2-CE2 3.47Å; I164-Y195 VanDerWaalsContact CG2-CE2 3.47Å; L191-Y195 CarbonylContact O-C 3.55Å; L191-Y195 WeakPolarHBondContact O-CB 3.45Å; L191-Y195 PolarHBondContact O-N 3.33Å; Y195-K197 PolarHBondContact O-N 2.86Å; Y195-K197 VanDerWaalsContact O-N 3.13Å; Y195-F375 AromaticContact CD1-CE1 3.65Å; Y195-F375 HydrophobicContact CD1-CE1 3.65Å; Y195-F375 AromaticContact CD1-CZ 3.49Å; Y195-F375 HydrophobicContact CD1-CZ 3.49Å; Y195-F375 VanDerWaalsContact CD1-CZ 3.49Å; Y195-F375 AromaticContact CD2-CE1 3.88Å; Y195-F375 HydrophobicContact CD2-CE1 3.88Å; Y195-F375 HydrophobicContact CD2-CZ 4.43Å; Y195-F375 HydrophobicContact CE1-CE1 4.16Å; Y195-F375 HydrophobicContact CE1-CZ 4.26Å; Y195-F375 HydrophobicContact CE2-CE1 4.39Å; Y195-F375 HydrophobicContact CG-CD1 4.44Å; Y195-F375 AromaticContact CG-CE1 3.48Å; Y195-F375 HydrophobicContact CG-CE1 3.48Å; Y195-F375 VanDerWaalsContact CG-CE1 3.48Å; Y195-F375 AromaticContact CG-CZ 3.57Å; Y195-F375 HydrophobicContact CG-CZ 3.57Å; Y195-I512 HydrophobicContact CD1-CD1 4.24Å; Y195-I512 HydrophobicContact CD1-CG2 4.41Å; Y195-I512 HydrophobicContact CE1-CD1 4.19Å; Y195-I512 HydrophobicContact CE1-CG2 3.82Å
196	G	98.3	Very high	98.7	Very high	25 Å²	25	19.4 Å²	19.4	26%	0.258	10%	0.101	S	C	.	.			trans	66.5	8.9	-177.1	0	0	0	0	0	113.7	L191 N192	L191-G196 PolarHBondContact O-N 3.14Å; N192-G196 WeakPolarHBondContact O-CA 3.22Å; N192-G196 PolarHBondContact O-N 3.29Å
197	K	98.8	Very high	98.7	Very high	26 Å²	26	17.3 Å²	17.3	11%	0.113	9%	0.094	C	C	.	.			trans	-91.6	114.4	-172.7	-171.3	65.9	177.1	-164.4	0	110.8	L191 N192 Y195 V199 R374 F375 D378	L191-K197 CarbonylContact C-O 3.57Å; L191-K197 HydrophobicContact CB-CB 4.34Å; L191-K197 PolarHBondContact O-N 2.89Å; N192-K197 WeakPolarHBondContact CA-O 3.44Å; N192-K197 PolarHBondContact N-O 2.93Å; Y195-K197 PolarHBondContact O-N 2.86Å; Y195-K197 VanDerWaalsContact O-N 3.13Å; K197-V199 HydrophobicContact CG-CG1 4.16Å; K197-R374 WeakPolarHBondContact CE-O 3.34Å; K197-R374 PolarHBondContact NZ-O 2.58Å; K197-F375 HydrophobicContact CB-CD2 4.39Å; K197-F375 HydrophobicContact CG-CB 4.09Å; K197-F375 HydrophobicContact CG-CD2 4.41Å; K197-F375 HydrophobicContact CG-CG 4.42Å; K197-D378 IonicContact NZ-OD1 3.72Å; K197-D378 IonicContact NZ-OD2 2.77Å; K197-D378 PolarHBondContact NZ-OD2 3.4Å
198	K	98.6	Very high	98.6	Very high	42 Å²	42	17.7 Å²	17.7	18%	0.183	10%	0.096	C	C	.	.			trans	-104.4	109.3	-171.9	-50.4	-161.7	172	87.2	0	109.9	N202 L203 F204	K198-N202 HydrophobicContact CB-CB 4.3Å; K198-N202 WeakPolarHBondContact CD-OD1 3.49Å; K198-L203 WeakPolarHBondContact CD-O 3.38Å; K198-L203 WeakPolarHBondContact CE-O 3.32Å; K198-F204 HydrophobicContact CD-CB 4.4Å
199	V	98.8	Very high	98.6	Very high	8 Å²	8	19 Å²	19	5%	0.048	10%	0.103	C	C	.	.			trans	-129.3	142.3	-173.7	-68.4	0	0	0	0	109.8	I188 L191 K197 I201 M371 R374	I188-V199 WeakPolarHBondContact CG2-O 3.33Å; L191-V199 HydrophobicContact CB-CG2 4.49Å; L191-V199 HydrophobicContact CD1-CG2 3.76Å; K197-V199 HydrophobicContact CG-CG1 4.16Å; V199-I201 PolarHBondContact O-N 3.39Å; V199-M371 HydrophobicContact CB-CG 4.17Å; V199-M371 HydrophobicContact CG2-CB 3.97Å; V199-M371 HydrophobicContact CG2-CE 4.04Å; V199-M371 HydrophobicContact CG2-CG 3.68Å; V199-R374 HydrophobicContact CG1-CB 3.79Å; V199-R374 HydrophobicContact CG1-CG 4.27Å
200	L	98.8	Very high	98.6	Very high	7 Å²	7	23.8 Å²	23.8	4%	0.037	12%	0.124	C	C	.	.	S	Bend	trans	61.2	-52.8	-173.1	-50.3	-178.9	0	0	0	114.3	I188 P222 I283 Y351 L367 L370 M371	I188-L200 HydrophobicContact CD1-CB 4.25Å; I188-L200 HydrophobicContact CD1-CD1 4.06Å; I188-L200 HydrophobicContact CG1-CD1 4.35Å; L200-P222 WeakPolarHBondContact O-CD 3.49Å; L200-I283 HydrophobicContact CD2-CD1 3.51Å; L200-Y351 WeakPolarHBondContact O-CE1 3.22Å; L200-Y351 PolarHBondContact O-OH 2.82Å; L200-L367 HydrophobicContact CD1-CD2 4.27Å; L200-L370 HydrophobicContact CD2-CD2 4.29Å; L200-M371 HydrophobicContact CD1-CG 4.1Å; L200-M371 HydrophobicContact CD1-SD 3.72Å; L200-M371 HydrophobicContact CG-CG 4.19Å; L200-M371 HydrophobicContact CG-SD 4.4Å
201	I	98.9	Very high	98.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.128	C	C	.	.	S	Bend	trans	-130.1	121	179.2	-60.5	167.7	0	0	0	107.9	V199 L203 I219 L314 F321 W323 F326 L355	V199-I201 PolarHBondContact O-N 3.39Å; I201-L203 PolarHBondContact O-N 2.88Å; I201-I219 HydrophobicContact CG2-CG2 3.98Å; I201-L314 HydrophobicContact CD1-CD1 3.87Å; I201-F321 HydrophobicContact CD1-CE1 4.09Å; I201-F321 HydrophobicContact CD1-CE2 4.49Å; I201-F321 HydrophobicContact CD1-CZ 3.88Å; I201-W323 HydrophobicContact CD1-CH2 3.91Å; I201-W323 HydrophobicContact CD1-CZ3 4.19Å; I201-W323 HydrophobicContact CG2-CH2 4.08Å; I201-W323 HydrophobicContact CG2-CZ3 3.87Å; I201-F326 HydrophobicContact CG2-CE1 4.01Å; I201-F326 HydrophobicContact CG2-CZ 4.35Å; I201-L355 HydrophobicContact CG1-CD2 4.21Å
202	N	98.9	Very high	98.5	Very high	26 Å²	26	24.4 Å²	24.4	14%	0.139	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	93.2	177.6	174.4	16.2	0	0	0	110.1	K198 F204 I219 D220 Q221	K198-N202 HydrophobicContact CB-CB 4.3Å; K198-N202 WeakPolarHBondContact CD-OD1 3.49Å; N202-F204 WeakPolarHBondContact OD1-CD1 3.39Å; N202-I219 CarbonylContact O-C 3.49Å; N202-I219 WeakPolarHBondContact O-CA 3.38Å; N202-D220 HydrophobicContact CB-CB 4.31Å; N202-D220 WeakPolarHBondContact CB-O 3.47Å; N202-D220 PolarHBondContact N-O 3.32Å; N202-D220 PolarHBondContact O-N 3.32Å; N202-Q221 WeakPolarHBondContact CB-O 3.4Å
203	L	98.9	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.9	170.1	-172.9	157.7	0	0	0	110.1	N192 K198 I201 I217 H218 I219 F326 T327 I330	N192-L203 PolarHBondContact ND2-O 3.41Å; K198-L203 WeakPolarHBondContact CD-O 3.38Å; K198-L203 WeakPolarHBondContact CE-O 3.32Å; I201-L203 PolarHBondContact O-N 2.88Å; L203-I217 HydrophobicContact CD1-CG2 3.98Å; L203-I217 HydrophobicContact CD2-CG2 3.94Å; L203-I217 HydrophobicContact CG-CG2 3.76Å; L203-H218 VanDerWaalsContact CA-O 3.29Å; L203-H218 WeakPolarHBondContact CA-O 3.32Å; L203-I219 HydrophobicContact CD1-CG1 4.45Å; L203-I219 HydrophobicContact CG-CG1 4.44Å; L203-F326 HydrophobicContact CB-CE1 3.92Å; L203-F326 HydrophobicContact CB-CZ 4.04Å; L203-F326 HydrophobicContact CD1-CD1 4.05Å; L203-F326 HydrophobicContact CD1-CE1 3.56Å; L203-F326 HydrophobicContact CD1-CZ 4.26Å; L203-F326 HydrophobicContact CG-CE1 4.41Å; L203-T327 HydrophobicContact CD1-CG2 4.27Å; L203-I330 HydrophobicContact CB-CD1 4.23Å; L203-I330 HydrophobicContact CD1-CD1 4.2Å; L203-I330 HydrophobicContact CD2-CD1 3.96Å; L203-I330 HydrophobicContact CD2-CG2 4.33Å; L203-I330 HydrophobicContact CG-CD1 4.36Å
204	F	98.9	Very high	98.4	Very high	44 Å²	44	29.2 Å²	29.2	19%	0.193	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	163.1	174.6	66.2	-83.5	0	0	0	111.8	K198 N202 H218 D220 Y347	K198-F204 HydrophobicContact CD-CB 4.4Å; N202-F204 WeakPolarHBondContact OD1-CD1 3.39Å; F204-H218 HydrophobicContact CD1-CB 3.89Å; F204-H218 HydrophobicContact CD2-CB 4.12Å; F204-H218 HydrophobicContact CE1-CB 3.48Å; F204-H218 VanDerWaalsContact CE1-CB 3.48Å; F204-H218 HydrophobicContact CE2-CB 3.72Å; F204-H218 AromaticContact CE2-CG 3.78Å; F204-H218 AromaticContact CE2-ND1 3.9Å; F204-H218 HydrophobicContact CG-CB 4.2Å; F204-H218 HydrophobicContact CZ-CB 3.39Å; F204-H218 AromaticContact CZ-CG 3.74Å; F204-H218 PolarHBondContact N-O 3.37Å; F204-H218 PolarHBondContact O-N 3.41Å; F204-D220 HydrophobicContact CE1-CB 4.44Å; F204-Y347 HydrophobicContact CZ-CE2 4.1Å
205	V	98.9	Very high	98.5	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.036	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.6	171.5	171.9	0	0	0	0	107.8	H215 I217 M331 Q522 L523 K525 L526	V205-H215 HydrophobicContact CG1-CB 3.94Å; V205-I217 HydrophobicContact CG2-CG1 4.36Å; V205-M331 HydrophobicContact CG2-CE 4.37Å; V205-M331 HydrophobicContact CG2-SD 4.23Å; V205-Q522 HydrophobicContact CB-CG 4.4Å; V205-Q522 WeakPolarHBondContact O-CG 3.45Å; V205-L523 HydrophobicContact CG2-CD2 3.96Å; V205-K525 HydrophobicContact CG1-CB 4.44Å; V205-L526 HydrophobicContact CG1-CB 3.93Å; V205-L526 HydrophobicContact CG1-CD1 4.29Å; V205-L526 HydrophobicContact CG2-CB 4.06Å; V205-L526 HydrophobicContact CG2-CD1 4.34Å
206	G	97.9	Very high	98.5	Very high	14 Å²	14	27.3 Å²	27.3	14%	0.144	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	171.2	-177.9	0	0	0	0	0	111	H215 V216	G206-H215 CarbonylContact O-C 2.97Å; G206-H215 WeakPolarHBondContact O-CA 3.45Å; G206-H215 WeakPolarHBondContact O-CB 3.41Å; G206-V216 PolarHBondContact N-O 2.94Å; G206-V216 VanDerWaalsContact N-O 3.13Å; G206-V216 PolarHBondContact O-N 2.98Å
207	T	98.1	Very high	98.5	Very high	36 Å²	36	26.1 Å²	26.1	22%	0.221	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	138	173.5	-59.9	0	0	0	0	110.3	D209 N214 H218 V530	T207-D209 PolarHBondContact O-N 2.92Å; T207-N214 WeakPolarHBondContact CA-O 3.26Å; T207-H218 PolarHBondContact O-CE1 3.21Å; T207-H218 PolarHBondContact O-NE2 2.81Å; T207-V530 HydrophobicContact CG2-CG2 3.99Å
208	D	98.6	Very high	98.5	Very high	9 Å²	9	25 Å²	25	5%	0.048	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	116.4	172.1	-175.8	-18.9	0	0	0	109.1	K210 N211 S212 N214 V216 Y300 K302	D208-K210 PolarHBondContact O-N 3.2Å; D208-K210 VanDerWaalsContact O-N 3.15Å; D208-K210 PolarHBondContact OD1-N 2.99Å; D208-N211 HydrophobicContact CB-CB 4.24Å; D208-N211 CarbonylContact O-C 3.45Å; D208-N211 PolarHBondContact O-N 3.4Å; D208-N211 VanDerWaalsContact O-O 3.14Å; D208-S212 PolarHBondContact O-N 3.2Å; D208-N214 PolarHBondContact N-O 3.47Å; D208-V216 HydrophobicContact CB-CB 4.15Å; D208-V216 HydrophobicContact CB-CG1 3.7Å; D208-Y300 WeakPolarHBondContact OD1-CE2 3.18Å; D208-Y300 PolarHBondContact OD1-OH 3.07Å; D208-Y300 PolarHBondContact OD2-OH 3.13Å; D208-K302 IonicContact OD2-NZ 3.87Å
209	D	98.3	Very high	98.5	Very high	28 Å²	28	23 Å²	23	15%	0.15	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-33.7	-178.1	-61.9	-43.2	0	0	0	112.4	T207 Y300 Y347 F597 D602 L603	T207-D209 PolarHBondContact O-N 2.92Å; D209-Y300 HydrophobicContact CB-CD2 3.7Å; D209-Y300 HydrophobicContact CB-CE2 3.83Å; D209-Y347 PolarHBondContact OD2-OH 2.75Å; D209-F597 HydrophobicContact CB-CE1 4.12Å; D209-D602 CarbonylContact O-C 3.59Å; D209-D602 WeakPolarHBondContact O-CA 3.48Å; D209-L603 HydrophobicContact CB-CB 3.97Å; D209-L603 HydrophobicContact CB-CD2 4.01Å; D209-L603 VanDerWaalsContact O-CB 3.29Å; D209-L603 WeakPolarHBondContact O-CB 3.5Å; D209-L603 PolarHBondContact O-N 3.28Å
210	K	98.6	Very high	98.5	Very high	102 Å²	102	23.3 Å²	23.3	44%	0.443	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-1	178.7	-66.1	-164.4	177.6	-177.4	0	113.5	D208 Y300 L603	D208-K210 PolarHBondContact O-N 3.2Å; D208-K210 VanDerWaalsContact O-N 3.15Å; D208-K210 PolarHBondContact OD1-N 2.99Å; K210-Y300 HydrophobicContact CB-CE1 4.32Å; K210-Y300 HydrophobicContact CB-CE2 4.36Å; K210-Y300 HydrophobicContact CD-CD1 3.77Å; K210-Y300 HydrophobicContact CD-CE1 3.47Å; K210-Y300 VanDerWaalsContact CD-CE1 3.47Å; K210-Y300 HydrophobicContact CD-CG 4.49Å; K210-Y300 VanDerWaalsContact CE-CD1 3.44Å; K210-Y300 HydrophobicContact CG-CD1 4.06Å; K210-Y300 HydrophobicContact CG-CD2 4.35Å; K210-Y300 HydrophobicContact CG-CE1 3.7Å; K210-Y300 HydrophobicContact CG-CE2 3.99Å; K210-Y300 HydrophobicContact CG-CG 4.37Å; K210-L603 HydrophobicContact CG-CB 4.06Å; K210-L603 HydrophobicContact CG-CD2 4.31Å; K210-L603 HydrophobicContact CG-CG 4.48Å
211	N	98.2	Very high	98.6	Very high	60 Å²	60	24.3 Å²	24.3	32%	0.321	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	82.7	176.1	-167	-37.2	0	0	0	110.9	D208 V213 N214	D208-N211 HydrophobicContact CB-CB 4.24Å; D208-N211 CarbonylContact O-C 3.45Å; D208-N211 PolarHBondContact O-N 3.4Å; D208-N211 VanDerWaalsContact O-O 3.14Å; N211-V213 PolarHBondContact O-N 3.47Å; N211-V213 WeakPolarHBondContact OD1-CG2 3.41Å; N211-N214 VanDerWaalsContact CG-ND2 3.33Å; N211-N214 PolarHBondContact ND2-ND2 3.28Å; N211-N214 PolarHBondContact O-N 2.85Å; N211-N214 PolarHBondContact OD1-ND2 3.44Å
212	S	97.1	Very high	98.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	-7.7	-172.6	59.5	0	0	0	0	116.1	D208 V530 K532 G549 D600 D602	D208-S212 PolarHBondContact O-N 3.2Å; S212-V530 WeakPolarHBondContact O-CB 3.34Å; S212-V530 WeakPolarHBondContact O-CG2 3.36Å; S212-K532 PolarHBondContact OG-NZ 3.02Å; S212-G549 WeakPolarHBondContact CB-O 3.4Å; S212-D600 PolarHBondContact OG-O 3.43Å; S212-D600 VanDerWaalsContact OG-O 3.06Å; S212-D602 WeakPolarHBondContact CB-OD1 3.09Å; S212-D602 PolarHBondContact N-OD1 3.07Å; S212-D602 PolarHBondContact OG-OD1 2.95Å
213	V	97.9	Very high	98.5	Very high	62 Å²	62	34 Å²	34	38%	0.376	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-11.5	175.4	-59.6	0	0	0	0	113.2	N211 K529 V530	N211-V213 PolarHBondContact O-N 3.47Å; N211-V213 WeakPolarHBondContact OD1-CG2 3.41Å; V213-K529 WeakPolarHBondContact O-CA 3.41Å; V213-K529 VanDerWaalsContact O-CD 3.26Å; V213-K529 WeakPolarHBondContact O-CD 3.41Å; V213-V530 PolarHBondContact O-N 3.24Å
214	N	98.3	Very high	98.5	Very high	48 Å²	48	35.2 Å²	35.2	26%	0.257	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	159.6	-177.6	-65.8	-30.1	0	0	0	111.6	T207 D208 N211 K529	T207-N214 WeakPolarHBondContact CA-O 3.26Å; D208-N214 PolarHBondContact N-O 3.47Å; N211-N214 VanDerWaalsContact CG-ND2 3.33Å; N211-N214 PolarHBondContact ND2-ND2 3.28Å; N211-N214 PolarHBondContact O-N 2.85Å; N211-N214 PolarHBondContact OD1-ND2 3.44Å; N214-K529 PolarHBondContact OD1-NZ 2.98Å
215	H	98.8	Very high	98.5	Very high	21 Å²	21	33.6 Å²	33.6	10%	0.097	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	153.8	164.7	-58.9	92.2	0	0	0	110.3	V205 G206 K525 E528	V205-H215 HydrophobicContact CG1-CB 3.94Å; G206-H215 CarbonylContact O-C 2.97Å; G206-H215 WeakPolarHBondContact O-CA 3.45Å; G206-H215 WeakPolarHBondContact O-CB 3.41Å; H215-K525 WeakPolarHBondContact CB-O 3.15Å; H215-K525 VanDerWaalsContact CG-O 3.31Å; H215-K525 PolarHBondContact ND1-O 3.06Å; H215-E528 PolarHBondContact ND1-O 3.33Å
216	V	98.9	Very high	98.5	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.042	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.2	175.6	67.3	0	0	0	0	109.9	G206 D208 H218 D343 V345	G206-V216 PolarHBondContact N-O 2.94Å; G206-V216 VanDerWaalsContact N-O 3.13Å; G206-V216 PolarHBondContact O-N 2.98Å; D208-V216 HydrophobicContact CB-CB 4.15Å; D208-V216 HydrophobicContact CB-CG1 3.7Å; V216-H218 WeakPolarHBondContact CG1-CE1 3.26Å; V216-H218 PolarHBondContact O-CE1 3.33Å; V216-H218 PolarHBondContact O-ND1 3.05Å; V216-D343 VanDerWaalsContact CG2-O 3.29Å; V216-D343 WeakPolarHBondContact CG2-O 3.24Å; V216-V345 HydrophobicContact CG1-CB 4.46Å; V216-V345 HydrophobicContact CG1-CG2 3.7Å; V216-V345 HydrophobicContact CG2-CG2 4.25Å
217	I	98.9	Very high	98.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.3	171.9	-62.4	177.8	0	0	0	108.5	L203 V205 T327 M331 I338 E342 V344 V345 L526	L203-I217 HydrophobicContact CD1-CG2 3.98Å; L203-I217 HydrophobicContact CD2-CG2 3.94Å; L203-I217 HydrophobicContact CG-CG2 3.76Å; V205-I217 HydrophobicContact CG2-CG1 4.36Å; I217-T327 HydrophobicContact CD1-CG2 3.6Å; I217-M331 HydrophobicContact CD1-CG 4.31Å; I217-I338 HydrophobicContact CD1-CD1 4.16Å; I217-E342 HydrophobicContact CD1-CG 4.3Å; I217-V344 HydrophobicContact CB-CG1 4.06Å; I217-V344 HydrophobicContact CG2-CG1 4.12Å; I217-V344 CarbonylContact O-C 3.59Å; I217-V344 WeakPolarHBondContact O-CA 3.49Å; I217-V345 PolarHBondContact O-N 3.06Å; I217-L526 HydrophobicContact CD1-CD2 3.86Å; I217-L526 HydrophobicContact CG1-CD1 3.8Å; I217-L526 HydrophobicContact CG1-CD2 3.85Å; I217-L526 HydrophobicContact CG1-CG 4.49Å
218	H	98.9	Very high	98.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.3	175	-65.5	79.9	0	0	0	110.2	L203 F204 T207 V216 V345 Y347	L203-H218 VanDerWaalsContact CA-O 3.29Å; L203-H218 WeakPolarHBondContact CA-O 3.32Å; F204-H218 HydrophobicContact CD1-CB 3.89Å; F204-H218 HydrophobicContact CD2-CB 4.12Å; F204-H218 HydrophobicContact CE1-CB 3.48Å; F204-H218 VanDerWaalsContact CE1-CB 3.48Å; F204-H218 HydrophobicContact CE2-CB 3.72Å; F204-H218 AromaticContact CE2-CG 3.78Å; F204-H218 AromaticContact CE2-ND1 3.9Å; F204-H218 HydrophobicContact CG-CB 4.2Å; F204-H218 HydrophobicContact CZ-CB 3.39Å; F204-H218 AromaticContact CZ-CG 3.74Å; F204-H218 PolarHBondContact N-O 3.37Å; F204-H218 PolarHBondContact O-N 3.41Å; T207-H218 PolarHBondContact O-CE1 3.21Å; T207-H218 PolarHBondContact O-NE2 2.81Å; V216-H218 WeakPolarHBondContact CG1-CE1 3.26Å; V216-H218 PolarHBondContact O-CE1 3.33Å; V216-H218 PolarHBondContact O-ND1 3.05Å; H218-V345 CarbonylContact C-O 3.48Å; H218-V345 VanDerWaalsContact CA-O 3.29Å; H218-V345 WeakPolarHBondContact CA-O 3.35Å; H218-Y347 AromaticContact CD2-CE2 3.46Å; H218-Y347 VanDerWaalsContact CD2-CE2 3.46Å; H218-Y347 WeakPolarHBondContact CD2-CE2 3.12Å; H218-Y347 AromaticContact CD2-CZ 3.44Å; H218-Y347 VanDerWaalsContact CD2-CZ 3.44Å; H218-Y347 PolarHBondContact CD2-OH 3.26Å; H218-Y347 AromaticContact NE2-CZ 3.94Å; H218-Y347 PolarHBondContact NE2-OH 2.84Å
219	I	98.9	Very high	98.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.8	172.6	-61.7	172.9	0	0	0	108.8	I201 N202 L203 L308 W323 V345 V346 Y347 L352	I201-I219 HydrophobicContact CG2-CG2 3.98Å; N202-I219 CarbonylContact O-C 3.49Å; N202-I219 WeakPolarHBondContact O-CA 3.38Å; L203-I219 HydrophobicContact CD1-CG1 4.45Å; L203-I219 HydrophobicContact CG-CG1 4.44Å; I219-L308 HydrophobicContact CD1-CD1 4.27Å; I219-L308 HydrophobicContact CD1-CD2 3.34Å; I219-L308 HydrophobicContact CD1-CG 4.47Å; I219-W323 HydrophobicContact CD1-CE3 4.02Å; I219-W323 HydrophobicContact CD1-CZ3 3.79Å; I219-W323 HydrophobicContact CG2-CH2 4.26Å; I219-W323 HydrophobicContact CG2-CZ3 4.12Å; I219-V345 PolarHBondContact N-O 3.03Å; I219-V346 CarbonylContact O-C 3.6Å; I219-V346 WeakPolarHBondContact O-CA 3.3Å; I219-Y347 PolarHBondContact O-N 2.73Å; I219-L352 HydrophobicContact CG2-CD1 4.06Å; I219-L352 HydrophobicContact CG2-CD2 4.49Å
220	D	98.9	Very high	98.6	Very high	16 Å²	16	35.9 Å²	35.9	9%	0.086	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	173.4	-176.5	-160.7	7.4	0	0	0	111.8	N202 F204 R293 Y347 A348	N202-D220 HydrophobicContact CB-CB 4.31Å; N202-D220 WeakPolarHBondContact CB-O 3.47Å; N202-D220 PolarHBondContact N-O 3.32Å; N202-D220 PolarHBondContact O-N 3.32Å; F204-D220 HydrophobicContact CE1-CB 4.44Å; D220-R293 IonicContact OD1-CZ 3.52Å; D220-R293 IonicContact OD1-NH1 2.74Å; D220-R293 PolarHBondContact OD1-NH1 3.07Å; D220-R293 IonicContact OD1-NH2 2.99Å; D220-R293 PolarHBondContact OD1-NH2 3.38Å; D220-R293 IonicContact OD2-CZ 3.75Å; D220-R293 IonicContact OD2-NH1 3.83Å; D220-R293 IonicContact OD2-NH2 2.95Å; D220-R293 PolarHBondContact OD2-NH2 2.82Å; D220-Y347 HydrophobicContact CB-CD2 4.32Å; D220-A348 WeakPolarHBondContact OD1-CB 3.43Å
221	Q	98.8	Very high	98.6	Very high	27 Å²	27	31.1 Å²	31.1	13%	0.126	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-66.5	145.9	168	67.7	-171	37	0	0	111	N202 T287 A288 A348 Y351	N202-Q221 WeakPolarHBondContact CB-O 3.4Å; Q221-T287 HydrophobicContact CB-CG2 4.23Å; Q221-T287 HydrophobicContact CG-CG2 4.45Å; Q221-A288 PolarHBondContact NE2-O 2.88Å; Q221-A288 VanDerWaalsContact NE2-O 3.11Å; Q221-A348 HydrophobicContact CB-CB 4.08Å; Q221-Y351 HydrophobicContact CB-CD1 3.85Å; Q221-Y351 HydrophobicContact CB-CD2 4.16Å; Q221-Y351 HydrophobicContact CB-CE1 4.19Å; Q221-Y351 HydrophobicContact CB-CE2 4.48Å; Q221-Y351 HydrophobicContact CB-CG 3.83Å
222	P	98.8	Very high	98.6	Very high	9 Å²	9	29 Å²	29	6%	0.058	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-77.5	162	179.1	34.4	-36.9	0	0	0	112	L200 I283 Y351	L200-P222 WeakPolarHBondContact O-CD 3.49Å; P222-I283 HydrophobicContact CG-CG2 4.42Å; P222-Y351 VanDerWaalsContact CD-CZ 3.49Å; P222-Y351 WeakPolarHBondContact CD-OH 3.43Å
223	R	98.5	Very high	98.7	Very high	221 Å²	221	34.7 Å²	34.7	83%	0.834	17%	0.167	S	C	*	.	P	Polyproline II helix	trans	-74.3	147.4	165.3	-66.7	-175	-176.4	176.8	0.5	110.8	R374	R223-R374 PolarHBondContact O-NH2 3.42Å
224	L	98.8	Very high	98.7	Very high	26 Å²	26	32.8 Å²	32.8	14%	0.136	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-93	163.1	-178.9	-55.8	171.9	0	0	0	111.8	L226 R229 Y232 E280 I283 A284 T287 R374	L224-L226 CarbonylContact C-O 3.59Å; L224-R229 HydrophobicContact CD1-CB 4.12Å; L224-Y232 HydrophobicContact CB-CE2 3.79Å; L224-Y232 HydrophobicContact CD1-CD2 4.11Å; L224-Y232 HydrophobicContact CD1-CE2 3.68Å; L224-Y232 HydrophobicContact CG-CE2 4.22Å; L224-E280 HydrophobicContact CD2-CG 4.4Å; L224-I283 HydrophobicContact CD2-CG2 4.08Å; L224-A284 HydrophobicContact CD1-CB 3.63Å; L224-A284 HydrophobicContact CD2-CB 4.1Å; L224-T287 HydrophobicContact CD2-CG2 4.45Å; L224-R374 VanDerWaalsContact C-CZ 3.5Å; L224-R374 PolarHBondContact O-NH2 2.75Å
225	G	98.5	Very high	98.7	Very high	10 Å²	10	34.7 Å²	34.7	10%	0.103	17%	0.17	C	C	.	.	S	Bend	trans	-70.4	-35.2	175.5	0	0	0	0	0	114.7	Y232 Y245 E280	G225-Y232 PolarHBondContact N-OH 2.91Å; G225-Y245 WeakPolarHBondContact CA-OH 3.32Å; G225-E280 PolarHBondContact N-OE1 3.46Å
226	L	98.8	Very high	98.6	Very high	3 Å²	3	37 Å²	37	2%	0.016	20%	0.198	C	C	.	.	S	Bend	trans	-87.4	159.5	168	-64.4	171.6	0	0	0	110.9	L224 S228 Y231 Y232 A241 Y245 M277 F394 L398	L224-L226 CarbonylContact C-O 3.59Å; L226-S228 VanDerWaalsContact C-N 3.34Å; L226-S228 PolarHBondContact O-N 3.34Å; L226-Y231 HydrophobicContact CB-CG 4.16Å; L226-Y232 HydrophobicContact CB-CD2 4.44Å; L226-Y232 HydrophobicContact CB-CE2 3.68Å; L226-Y232 HydrophobicContact CD1-CD1 4.42Å; L226-Y232 HydrophobicContact CD1-CD2 4.48Å; L226-Y232 HydrophobicContact CD1-CE1 4.14Å; L226-Y232 HydrophobicContact CD1-CE2 4.2Å; L226-Y232 HydrophobicContact CG-CE2 4.28Å; L226-Y232 PolarHBondContact N-OH 3.18Å; L226-Y232 VanDerWaalsContact N-OH 3.08Å; L226-A241 HydrophobicContact CD2-CB 4.42Å; L226-Y245 HydrophobicContact CD1-CD1 4.22Å; L226-Y245 HydrophobicContact CD2-CD1 4.26Å; L226-Y245 HydrophobicContact CD2-CD2 4.47Å; L226-Y245 HydrophobicContact CD2-CG 4.01Å; L226-Y245 HydrophobicContact CG-CD1 4.01Å; L226-Y245 HydrophobicContact CG-CE1 4.36Å; L226-Y245 HydrophobicContact CG-CG 4.26Å; L226-M277 HydrophobicContact CD1-CE 3.96Å; L226-F394 HydrophobicContact CD2-CE2 3.65Å; L226-F394 HydrophobicContact CD2-CZ 4.21Å; L226-L398 HydrophobicContact CD2-CD2 4.35Å
227	P	98.6	Very high	98.5	Very high	39 Å²	39	40.9 Å²	40.9	25%	0.253	22%	0.218	S	C	.	.	S	Bend	trans	-60.2	-35.6	-168.8	-25	33.6	0	0	0	115.4	Y231 L398 N705 T709	P227-Y231 HydrophobicContact CB-CD2 4.23Å; P227-Y231 HydrophobicContact CB-CE2 3.83Å; P227-Y231 HydrophobicContact CG-CD2 4.27Å; P227-Y231 HydrophobicContact CG-CE1 4.31Å; P227-Y231 HydrophobicContact CG-CE2 3.82Å; P227-L398 HydrophobicContact CG-CD1 4.03Å; P227-L398 HydrophobicContact CG-CD2 3.73Å; P227-L398 HydrophobicContact CG-CG 4.38Å; P227-N705 VanDerWaalsContact CB-OD1 3.25Å; P227-N705 WeakPolarHBondContact CB-OD1 3.41Å; P227-N705 WeakPolarHBondContact CG-ND2 3.24Å; P227-T709 HydrophobicContact CB-CG2 3.73Å; P227-T709 VanDerWaalsContact O-CG2 3.3Å; P227-T709 WeakPolarHBondContact O-CG2 3.42Å
228	S	98.7	Very high	98.5	Very high	14 Å²	14	41.4 Å²	41.4	10%	0.098	22%	0.22	C	C	.	.	S	Bend	trans	-143.6	170.3	177.1	80	0	0	0	0	111.3	L226 D230 Y231	L226-S228 VanDerWaalsContact C-N 3.34Å; L226-S228 PolarHBondContact O-N 3.34Å; S228-D230 WeakPolarHBondContact CB-OD2 3.4Å; S228-D230 PolarHBondContact O-N 3.36Å; S228-D230 PolarHBondContact OG-N 3.43Å; S228-D230 PolarHBondContact OG-OD2 2.94Å; S228-Y231 PolarHBondContact O-N 3.19Å
229	R	98.6	Very high	98.5	Very high	48 Å²	48	47.6 Å²	47.6	18%	0.181	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-60.3	-28.5	174.3	63.9	-176.4	-57.9	-62.5	-3.2	113.2	L224 Y231 Y232 A284 T287	L224-R229 HydrophobicContact CD1-CB 4.12Å; R229-Y231 VanDerWaalsContact C-N 3.29Å; R229-Y231 PolarHBondContact O-N 3.22Å; R229-Y232 WeakPolarHBondContact O-CB 3.43Å; R229-Y232 PolarHBondContact O-N 2.89Å; R229-A284 HydrophobicContact CB-CB 4.45Å; R229-T287 PolarHBondContact NE-O 3.25Å
230	D	98.4	Very high	98.5	Very high	37 Å²	37	53.6 Å²	53.6	20%	0.198	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-65.3	-33.2	-177.1	-46.3	-88.2	0	0	0	112.2	S228 Y232 E233 Y238 K708	S228-D230 WeakPolarHBondContact CB-OD2 3.4Å; S228-D230 PolarHBondContact O-N 3.36Å; S228-D230 PolarHBondContact OG-N 3.43Å; S228-D230 PolarHBondContact OG-OD2 2.94Å; D230-Y232 PolarHBondContact O-N 2.94Å; D230-Y232 VanDerWaalsContact O-N 3.09Å; D230-E233 WeakPolarHBondContact O-CB 3.38Å; D230-E233 WeakPolarHBondContact O-CG 3.37Å; D230-E233 PolarHBondContact O-N 3.48Å; D230-E233 VanDerWaalsContact O-N 3.13Å; D230-Y238 HydrophobicContact CB-CE2 4.16Å; D230-Y238 WeakPolarHBondContact O-CD2 3.5Å; D230-Y238 WeakPolarHBondContact O-CE2 3.45Å; D230-K708 HydrophobicContact CB-CD 4.38Å
231	Y	98.8	Very high	98.5	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.012	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-57.4	-28.6	177.3	-84.3	-99.6	0	0	0	112.9	L226 P227 S228 R229 E233 C234 Y238 A241 C242 L398 N705	L226-Y231 HydrophobicContact CB-CG 4.16Å; P227-Y231 HydrophobicContact CB-CD2 4.23Å; P227-Y231 HydrophobicContact CB-CE2 3.83Å; P227-Y231 HydrophobicContact CG-CD2 4.27Å; P227-Y231 HydrophobicContact CG-CE1 4.31Å; P227-Y231 HydrophobicContact CG-CE2 3.82Å; S228-Y231 PolarHBondContact O-N 3.19Å; R229-Y231 VanDerWaalsContact C-N 3.29Å; R229-Y231 PolarHBondContact O-N 3.22Å; Y231-E233 PolarHBondContact O-N 3.28Å; Y231-C234 PolarHBondContact O-N 2.9Å; Y231-Y238 AromaticContact CD1-CD1 3.66Å; Y231-Y238 HydrophobicContact CD1-CD1 3.66Å; Y231-Y238 HydrophobicContact CD1-CE1 4.43Å; Y231-Y238 HydrophobicContact CD1-CG 4.37Å; Y231-Y238 HydrophobicContact CD2-CD1 4.06Å; Y231-Y238 HydrophobicContact CD2-CE1 4.06Å; Y231-Y238 AromaticContact CE1-CD1 3.84Å; Y231-Y238 HydrophobicContact CE1-CD1 3.84Å; Y231-Y238 HydrophobicContact CE1-CE1 4.42Å; Y231-Y238 HydrophobicContact CE2-CD1 4.22Å; Y231-Y238 HydrophobicContact CE2-CE1 4.05Å; Y231-Y238 AromaticContact CG-CD1 3.78Å; Y231-Y238 HydrophobicContact CG-CD1 3.78Å; Y231-Y238 HydrophobicContact CG-CE1 4.24Å; Y231-Y238 HydrophobicContact CG-CG 4.44Å; Y231-A241 HydrophobicContact CD1-CB 3.66Å; Y231-A241 HydrophobicContact CE1-CB 3.7Å; Y231-C242 PolarHBondContact O-SG 3.34Å; Y231-L398 HydrophobicContact CD1-CD2 4.29Å; Y231-L398 HydrophobicContact CE1-CD2 3.68Å; Y231-N705 VanDerWaalsContact OH-CA 3.23Å; Y231-N705 WeakPolarHBondContact OH-CA 3.48Å; Y231-N705 VanDerWaalsContact OH-CB 3.3Å; Y231-N705 WeakPolarHBondContact OH-CB 3.47Å
232	Y	98.8	Very high	98.5	Very high	16 Å²	16	52 Å²	52	6%	0.063	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-73.6	-3.7	-176.9	-70.3	-90	0	0	0	113.8	L224 G225 L226 R229 D230 C234 M277 E280 K281 A284	L224-Y232 HydrophobicContact CB-CE2 3.79Å; L224-Y232 HydrophobicContact CD1-CD2 4.11Å; L224-Y232 HydrophobicContact CD1-CE2 3.68Å; L224-Y232 HydrophobicContact CG-CE2 4.22Å; G225-Y232 PolarHBondContact N-OH 2.91Å; L226-Y232 HydrophobicContact CB-CD2 4.44Å; L226-Y232 HydrophobicContact CB-CE2 3.68Å; L226-Y232 HydrophobicContact CD1-CD1 4.42Å; L226-Y232 HydrophobicContact CD1-CD2 4.48Å; L226-Y232 HydrophobicContact CD1-CE1 4.14Å; L226-Y232 HydrophobicContact CD1-CE2 4.2Å; L226-Y232 HydrophobicContact CG-CE2 4.28Å; L226-Y232 PolarHBondContact N-OH 3.18Å; L226-Y232 VanDerWaalsContact N-OH 3.08Å; R229-Y232 WeakPolarHBondContact O-CB 3.43Å; R229-Y232 PolarHBondContact O-N 2.89Å; D230-Y232 PolarHBondContact O-N 2.94Å; D230-Y232 VanDerWaalsContact O-N 3.09Å; Y232-C234 PolarHBondContact O-N 3.28Å; Y232-M277 HydrophobicContact CD1-CE 3.63Å; Y232-M277 HydrophobicContact CD1-SD 4.15Å; Y232-M277 HydrophobicContact CE1-CE 3.9Å; Y232-M277 HydrophobicContact CE1-SD 3.92Å; Y232-E280 HydrophobicContact CE1-CB 3.89Å; Y232-E280 HydrophobicContact CE1-CG 3.75Å; Y232-E280 WeakPolarHBondContact OH-CG 3.29Å; Y232-E280 PolarHBondContact OH-OE1 3.09Å; Y232-E280 PolarHBondContact OH-OE2 2.64Å; Y232-K281 HydrophobicContact CD1-CB 4.35Å; Y232-K281 HydrophobicContact CD1-CG 3.72Å; Y232-K281 HydrophobicContact CG-CG 4.38Å; Y232-K281 WeakPolarHBondContact O-CE 3.34Å; Y232-A284 HydrophobicContact CD1-CB 4.12Å; Y232-A284 HydrophobicContact CD2-CB 3.46Å; Y232-A284 VanDerWaalsContact CD2-CB 3.46Å; Y232-A284 HydrophobicContact CE2-CB 3.96Å; Y232-A284 HydrophobicContact CG-CB 3.55Å
233	E	98.4	Very high	98.5	Very high	120 Å²	120	54.4 Å²	54.4	56%	0.561	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-61.3	-33.2	161.9	-68.7	179	-168.7	0	0	111.7	D230 Y231 T235 Y238	D230-E233 WeakPolarHBondContact O-CB 3.38Å; D230-E233 WeakPolarHBondContact O-CG 3.37Å; D230-E233 PolarHBondContact O-N 3.48Å; D230-E233 VanDerWaalsContact O-N 3.13Å; Y231-E233 PolarHBondContact O-N 3.28Å; E233-T235 PolarHBondContact O-N 3.24Å; E233-T235 VanDerWaalsContact O-N 3.08Å; E233-Y238 HydrophobicContact CB-CD2 4.32Å
234	C	98.4	Very high	98.5	Very high	22 Å²	22	44 Å²	44	15%	0.149	25%	0.245	C	C	.	.			trans	52.2	29.8	176.5	-60.1	0	0	0	0	115.7	Y231 Y232 C242 M277 K281	Y231-C234 PolarHBondContact O-N 2.9Å; Y232-C234 PolarHBondContact O-N 3.28Å; C234-C242 WeakPolarHBondContact CA-SG 3.26Å; C234-C242 HydrophobicContact CB-CB 3.57Å; C234-C242 WeakPolarHBondContact CB-SG 3.36Å; C234-C242 WeakPolarHBondContact SG-CB 3.45Å; C234-C242 CovalentContact SG-SG 2.04Å; C234-C242 PolarHBondContact SG-SG 3.01Å; C234-M277 WeakPolarHBondContact SG-CE 3.37Å; C234-K281 WeakPolarHBondContact SG-CE 3.5Å
235	T	98	Very high	98.5	Very high	89 Å²	89	42.8 Å²	42.8	55%	0.546	24%	0.238	S	C	.	.	S	Bend	trans	-127.1	169.7	174.9	61.3	0	0	0	0	109.9	E233 I237 Y238 K239	E233-T235 PolarHBondContact O-N 3.24Å; E233-T235 VanDerWaalsContact O-N 3.08Å; T235-I237 PolarHBondContact O-N 2.88Å; T235-Y238 PolarHBondContact O-N 3.07Å; T235-K239 PolarHBondContact O-N 3.1Å
236	G	97.3	Very high	98.5	Very high	68 Å²	68	42.9 Å²	42.9	70%	0.701	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	50.8	-123	179.1	0	0	0	0	0	112.5	Y238 K239	G236-Y238 PolarHBondContact O-N 3.06Å; G236-K239 PolarHBondContact O-N 3.14Å
237	I	97.6	Very high	98.6	Very high	90 Å²	90	46.7 Å²	46.7	46%	0.462	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-64.8	-19.3	-178.4	64.6	-179.6	0	0	0	114.4	T235 V704	T235-I237 PolarHBondContact O-N 2.88Å; I237-V704 HydrophobicContact CB-CG1 4.47Å; I237-V704 HydrophobicContact CD1-CG1 3.81Å; I237-V704 HydrophobicContact CD1-CG2 4.45Å; I237-V704 HydrophobicContact CG1-CG1 4.24Å
238	Y	98.6	Very high	98.6	Very high	11 Å²	11	45 Å²	45	4%	0.043	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-98.3	-9.9	-178	-53.8	-57.2	0	0	0	113.7	D230 Y231 E233 T235 G236 E240 A241 C242 V704 K708	D230-Y238 HydrophobicContact CB-CE2 4.16Å; D230-Y238 WeakPolarHBondContact O-CD2 3.5Å; D230-Y238 WeakPolarHBondContact O-CE2 3.45Å; Y231-Y238 AromaticContact CD1-CD1 3.66Å; Y231-Y238 HydrophobicContact CD1-CD1 3.66Å; Y231-Y238 HydrophobicContact CD1-CE1 4.43Å; Y231-Y238 HydrophobicContact CD1-CG 4.37Å; Y231-Y238 HydrophobicContact CD2-CD1 4.06Å; Y231-Y238 HydrophobicContact CD2-CE1 4.06Å; Y231-Y238 AromaticContact CE1-CD1 3.84Å; Y231-Y238 HydrophobicContact CE1-CD1 3.84Å; Y231-Y238 HydrophobicContact CE1-CE1 4.42Å; Y231-Y238 HydrophobicContact CE2-CD1 4.22Å; Y231-Y238 HydrophobicContact CE2-CE1 4.05Å; Y231-Y238 AromaticContact CG-CD1 3.78Å; Y231-Y238 HydrophobicContact CG-CD1 3.78Å; Y231-Y238 HydrophobicContact CG-CE1 4.24Å; Y231-Y238 HydrophobicContact CG-CG 4.44Å; E233-Y238 HydrophobicContact CB-CD2 4.32Å; T235-Y238 PolarHBondContact O-N 3.07Å; G236-Y238 PolarHBondContact O-N 3.06Å; Y238-E240 VanDerWaalsContact C-N 3.34Å; Y238-E240 PolarHBondContact O-N 2.95Å; Y238-A241 PolarHBondContact O-N 2.88Å; Y238-C242 PolarHBondContact O-N 2.96Å; Y238-C242 VanDerWaalsContact O-N 3.11Å; Y238-V704 HydrophobicContact CD1-CG1 4.31Å; Y238-V704 HydrophobicContact CE1-CG1 3.8Å; Y238-K708 VanDerWaalsContact OH-CE 3.27Å; Y238-K708 WeakPolarHBondContact OH-CE 3.47Å
239	K	98.7	Very high	98.6	Very high	131 Å²	131	44.3 Å²	44.3	57%	0.57	24%	0.241	S	C	*	.	H	α-helix	trans	-55.9	-47.6	-174.4	-175.3	-178.2	177.8	-174.7	0	112	T235 G236 A241 C242 T243	T235-K239 PolarHBondContact O-N 3.1Å; G236-K239 PolarHBondContact O-N 3.14Å; K239-A241 VanDerWaalsContact C-N 3.35Å; K239-A241 PolarHBondContact O-N 3.14Å; K239-C242 PolarHBondContact O-N 2.89Å; K239-T243 PolarHBondContact O-N 3.29Å; K239-T243 PolarHBondContact O-OG1 3.21Å; K239-T243 VanDerWaalsContact O-OG1 3.07Å
240	E	98.6	Very high	98.6	Very high	125 Å²	125	42.7 Å²	42.7	58%	0.584	24%	0.236	S	C	*	.	H	α-helix	trans	-63.7	-40.7	-177.5	-169.9	61.5	-162.2	0	0	112	Y238 C242 T243 A244 A397	Y238-E240 VanDerWaalsContact C-N 3.34Å; Y238-E240 PolarHBondContact O-N 2.95Å; E240-C242 PolarHBondContact O-N 2.8Å; E240-T243 PolarHBondContact O-N 2.92Å; E240-A244 VanDerWaalsContact O-CB 3.25Å; E240-A244 WeakPolarHBondContact O-CB 3.42Å; E240-A244 PolarHBondContact O-N 2.65Å; E240-A397 HydrophobicContact CG-CB 4.12Å
241	A	98.8	Very high	98.6	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-41.2	177.2	0	0	0	0	0	112.2	L226 Y231 Y238 K239 Y245 A397 L398	L226-A241 HydrophobicContact CD2-CB 4.42Å; Y231-A241 HydrophobicContact CD1-CB 3.66Å; Y231-A241 HydrophobicContact CE1-CB 3.7Å; Y238-A241 PolarHBondContact O-N 2.88Å; K239-A241 VanDerWaalsContact C-N 3.35Å; K239-A241 PolarHBondContact O-N 3.14Å; A241-Y245 WeakPolarHBondContact O-CB 3.45Å; A241-Y245 PolarHBondContact O-N 3.09Å; A241-A397 HydrophobicContact CB-CB 4.34Å; A241-L398 HydrophobicContact CB-CD2 3.77Å
242	C	98.9	Very high	98.6	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.054	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-44.6	175.9	-69.8	0	0	0	0	112.7	Y231 C234 Y238 K239 E240 Y245 V246 M277	Y231-C242 PolarHBondContact O-SG 3.34Å; C234-C242 WeakPolarHBondContact CA-SG 3.26Å; C234-C242 HydrophobicContact CB-CB 3.57Å; C234-C242 WeakPolarHBondContact CB-SG 3.36Å; C234-C242 WeakPolarHBondContact SG-CB 3.45Å; C234-C242 CovalentContact SG-SG 2.04Å; C234-C242 PolarHBondContact SG-SG 3.01Å; Y238-C242 PolarHBondContact O-N 2.96Å; Y238-C242 VanDerWaalsContact O-N 3.11Å; K239-C242 PolarHBondContact O-N 2.89Å; E240-C242 PolarHBondContact O-N 2.8Å; C242-Y245 PolarHBondContact O-N 3.45Å; C242-V246 PolarHBondContact O-N 3.37Å; C242-V246 VanDerWaalsContact O-N 3.16Å; C242-M277 HydrophobicContact CB-CE 4.06Å; C242-M277 VanDerWaalsContact SG-CE 3.58Å
243	T	98.9	Very high	98.6	Very high	60 Å²	60	41.7 Å²	41.7	37%	0.368	23%	0.234	S	C	.	.	H	α-helix	trans	-58.9	-52.5	176.1	-56.6	0	0	0	0	110.2	K239 E240 Y245 V246 D247	K239-T243 PolarHBondContact O-N 3.29Å; K239-T243 PolarHBondContact O-OG1 3.21Å; K239-T243 VanDerWaalsContact O-OG1 3.07Å; E240-T243 PolarHBondContact O-N 2.92Å; T243-Y245 PolarHBondContact O-N 2.8Å; T243-V246 PolarHBondContact O-N 3.25Å; T243-D247 WeakPolarHBondContact O-CB 3.41Å; T243-D247 PolarHBondContact O-N 3.41Å
244	A	98.9	Very high	98.7	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-29.1	-179.4	0	0	0	0	0	113	E240 F248 A393 F394 A397	E240-A244 VanDerWaalsContact O-CB 3.25Å; E240-A244 WeakPolarHBondContact O-CB 3.42Å; E240-A244 PolarHBondContact O-N 2.65Å; A244-F248 WeakPolarHBondContact O-CB 3.34Å; A244-F248 PolarHBondContact O-N 3.04Å; A244-A393 HydrophobicContact CB-CB 4.32Å; A244-F394 HydrophobicContact CB-CB 4.42Å; A244-A397 HydrophobicContact CB-CB 4.15Å
245	Y	98.9	Very high	98.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70.2	-45.6	176.5	-176	-130.3	0	0	0	112.5	G225 L226 A241 C242 T243 F248 M249 M277 E280 W373 M377 F394	G225-Y245 WeakPolarHBondContact CA-OH 3.32Å; L226-Y245 HydrophobicContact CD1-CD1 4.22Å; L226-Y245 HydrophobicContact CD2-CD1 4.26Å; L226-Y245 HydrophobicContact CD2-CD2 4.47Å; L226-Y245 HydrophobicContact CD2-CG 4.01Å; L226-Y245 HydrophobicContact CG-CD1 4.01Å; L226-Y245 HydrophobicContact CG-CE1 4.36Å; L226-Y245 HydrophobicContact CG-CG 4.26Å; A241-Y245 WeakPolarHBondContact O-CB 3.45Å; A241-Y245 PolarHBondContact O-N 3.09Å; C242-Y245 PolarHBondContact O-N 3.45Å; T243-Y245 PolarHBondContact O-N 2.8Å; Y245-F248 PolarHBondContact O-N 2.77Å; Y245-M249 HydrophobicContact CD1-CE 3.55Å; Y245-M249 HydrophobicContact CD2-CE 4.27Å; Y245-M249 HydrophobicContact CE1-CE 3.1Å; Y245-M249 HydrophobicContact CE2-CE 3.88Å; Y245-M249 HydrophobicContact CG-CE 4.11Å; Y245-M249 WeakPolarHBondContact O-CG 3.32Å; Y245-M249 PolarHBondContact O-N 2.86Å; Y245-M277 HydrophobicContact CD1-SD 3.88Å; Y245-M277 HydrophobicContact CE1-SD 4.1Å; Y245-E280 WeakPolarHBondContact CE1-OE2 3.41Å; Y245-E280 PolarHBondContact OH-OE2 2.98Å; Y245-W373 HydrophobicContact CD2-CZ2 4.19Å; Y245-W373 AromaticContact CE2-CE2 3.85Å; Y245-W373 AromaticContact CE2-CZ2 3.83Å; Y245-W373 HydrophobicContact CE2-CZ2 3.83Å; Y245-W373 AromaticContact CE2-NE1 3.26Å; Y245-W373 VanDerWaalsContact CE2-NE1 3.26Å; Y245-W373 AromaticContact CZ-NE1 3.3Å; Y245-W373 VanDerWaalsContact CZ-NE1 3.3Å; Y245-W373 PolarHBondContact OH-NE1 3.33Å; Y245-M377 HydrophobicContact CE2-CE 3.86Å; Y245-M377 HydrophobicContact CE2-SD 3.92Å; Y245-F394 HydrophobicContact CD2-CD2 4.11Å; Y245-F394 HydrophobicContact CD2-CE1 4.47Å; Y245-F394 AromaticContact CD2-CE2 3.47Å; Y245-F394 HydrophobicContact CD2-CE2 3.47Å; Y245-F394 VanDerWaalsContact CD2-CE2 3.47Å; Y245-F394 AromaticContact CD2-CZ 3.66Å; Y245-F394 HydrophobicContact CD2-CZ 3.66Å; Y245-F394 HydrophobicContact CE2-CE2 4.45Å; Y245-F394 HydrophobicContact CE2-CZ 4.25Å; Y245-F394 HydrophobicContact CG-CD2 4.46Å; Y245-F394 AromaticContact CG-CE2 3.89Å; Y245-F394 HydrophobicContact CG-CE2 3.89Å; Y245-F394 HydrophobicContact CG-CZ 4.47Å
246	V	98.9	Very high	98.7	Very high	11 Å²	11	35.3 Å²	35.3	7%	0.067	19%	0.194	C	C	.	.	H	α-helix	trans	-68.2	-41.7	175.6	177.2	0	0	0	0	110.8	C242 T243 F248 M249 I250 M273 M277	C242-V246 PolarHBondContact O-N 3.37Å; C242-V246 VanDerWaalsContact O-N 3.16Å; T243-V246 PolarHBondContact O-N 3.25Å; V246-F248 PolarHBondContact O-N 3.2Å; V246-M249 WeakPolarHBondContact O-CB 3.36Å; V246-M249 PolarHBondContact O-N 2.62Å; V246-M249 VanDerWaalsContact O-N 3.14Å; V246-I250 HydrophobicContact CG1-CD1 3.93Å; V246-I250 HydrophobicContact CG1-CG1 4.45Å; V246-I250 WeakPolarHBondContact O-CG1 3.37Å; V246-I250 PolarHBondContact O-N 3.36Å; V246-M273 HydrophobicContact CG1-CB 4.25Å; V246-M277 HydrophobicContact CG2-CB 3.79Å; V246-M277 HydrophobicContact CG2-CG 3.93Å
247	D	98.9	Very high	98.8	Very high	83 Å²	83	33.5 Å²	33.5	44%	0.444	17%	0.166	S	C	.	.	H	α-helix	trans	-62.4	-34.9	176.2	-72.1	-16.4	0	0	0	111.8	T243 I250 S251	T243-D247 WeakPolarHBondContact O-CB 3.41Å; T243-D247 PolarHBondContact O-N 3.41Å; D247-I250 PolarHBondContact O-N 2.92Å; D247-S251 VanDerWaalsContact O-CB 3.25Å; D247-S251 WeakPolarHBondContact O-CB 3.38Å; D247-S251 PolarHBondContact O-N 3.23Å; D247-S251 PolarHBondContact O-OG 3.13Å
248	F	98.9	Very high	98.8	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.013	17%	0.167	C	C	.	.	H	α-helix	trans	-66.5	-43.8	173.9	176.5	-146.9	0	0	0	111.4	A244 Y245 V246 I250 S251 V252 W373 M377 V380 S390 R391 F394	A244-F248 WeakPolarHBondContact O-CB 3.34Å; A244-F248 PolarHBondContact O-N 3.04Å; Y245-F248 PolarHBondContact O-N 2.77Å; V246-F248 PolarHBondContact O-N 3.2Å; F248-I250 PolarHBondContact O-N 2.95Å; F248-S251 PolarHBondContact O-N 2.99Å; F248-V252 HydrophobicContact CD2-CG2 3.72Å; F248-V252 HydrophobicContact CE2-CG2 3.41Å; F248-V252 VanDerWaalsContact CE2-CG2 3.41Å; F248-V252 HydrophobicContact CZ-CG2 4.36Å; F248-V252 WeakPolarHBondContact O-CG2 3.4Å; F248-V252 PolarHBondContact O-N 2.96Å; F248-V252 VanDerWaalsContact O-N 3.07Å; F248-W373 HydrophobicContact CB-CH2 4.29Å; F248-W373 AromaticContact CD1-CH2 3.37Å; F248-W373 HydrophobicContact CD1-CH2 3.37Å; F248-W373 AromaticContact CD1-CZ2 3.58Å; F248-W373 HydrophobicContact CD1-CZ2 3.58Å; F248-W373 AromaticContact CD2-CH2 3.9Å; F248-W373 HydrophobicContact CD2-CH2 3.9Å; F248-W373 AromaticContact CE1-CH2 3.44Å; F248-W373 HydrophobicContact CE1-CH2 3.44Å; F248-W373 VanDerWaalsContact CE1-CH2 3.44Å; F248-W373 AromaticContact CE1-CZ2 3.8Å; F248-W373 HydrophobicContact CE1-CZ2 3.8Å; F248-W373 AromaticContact CE2-CH2 3.95Å; F248-W373 HydrophobicContact CE2-CH2 3.95Å; F248-W373 AromaticContact CG-CH2 3.59Å; F248-W373 HydrophobicContact CG-CH2 3.59Å; F248-W373 HydrophobicContact CG-CZ2 4.12Å; F248-W373 AromaticContact CZ-CH2 3.71Å; F248-W373 HydrophobicContact CZ-CH2 3.71Å; F248-W373 HydrophobicContact CZ-CZ2 4.49Å; F248-W373 HydrophobicContact CZ-CZ3 4.43Å; F248-M377 HydrophobicContact CE1-CB 3.81Å; F248-M377 HydrophobicContact CZ-CB 4.09Å; F248-V380 HydrophobicContact CE2-CG2 3.92Å; F248-V380 HydrophobicContact CZ-CG2 3.6Å; F248-S390 VanDerWaalsContact CD2-O 3.24Å; F248-S390 WeakPolarHBondContact CD2-O 3.45Å; F248-S390 WeakPolarHBondContact CE2-OG 3.16Å; F248-R391 HydrophobicContact CE1-CG 3.94Å; F248-R391 HydrophobicContact CE2-CB 3.98Å; F248-R391 HydrophobicContact CE2-CG 4.25Å; F248-R391 HydrophobicContact CZ-CB 4.02Å; F248-R391 HydrophobicContact CZ-CG 3.8Å; F248-F394 HydrophobicContact CB-CB 4.11Å; F248-F394 HydrophobicContact CD1-CB 3.98Å; F248-F394 AromaticContact CD1-CD1 3.62Å; F248-F394 HydrophobicContact CD1-CD1 3.62Å; F248-F394 HydrophobicContact CD1-CE1 4.25Å; F248-F394 AromaticContact CD1-CG 3.81Å; F248-F394 HydrophobicContact CD1-CG 3.81Å; F248-F394 AromaticContact CE1-CD1 3.88Å; F248-F394 HydrophobicContact CE1-CD1 3.88Å; F248-F394 HydrophobicContact CE1-CE1 4.34Å; F248-F394 HydrophobicContact CG-CB 4.21Å; F248-F394 HydrophobicContact CG-CG 4.5Å
249	M	98.9	Very high	98.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.4	-51.4	171.7	-66.6	171.6	-168.7	0	0	111.8	Y245 V246 S251 V252 A253 M273 V276 W373	Y245-M249 HydrophobicContact CD1-CE 3.55Å; Y245-M249 HydrophobicContact CD2-CE 4.27Å; Y245-M249 HydrophobicContact CE1-CE 3.1Å; Y245-M249 HydrophobicContact CE2-CE 3.88Å; Y245-M249 HydrophobicContact CG-CE 4.11Å; Y245-M249 WeakPolarHBondContact O-CG 3.32Å; Y245-M249 PolarHBondContact O-N 2.86Å; V246-M249 WeakPolarHBondContact O-CB 3.36Å; V246-M249 PolarHBondContact O-N 2.62Å; V246-M249 VanDerWaalsContact O-N 3.14Å; M249-S251 VanDerWaalsContact C-N 3.33Å; M249-S251 PolarHBondContact O-N 3.31Å; M249-V252 PolarHBondContact O-N 3.25Å; M249-A253 WeakPolarHBondContact O-CB 3.42Å; M249-A253 PolarHBondContact O-N 2.98Å; M249-M273 HydrophobicContact CB-CB 3.94Å; M249-M273 HydrophobicContact CB-CG 3.74Å; M249-M273 HydrophobicContact CB-SD 3.63Å; M249-M273 HydrophobicContact CG-SD 4.31Å; M249-M273 HydrophobicContact SD-CB 4.08Å; M249-M273 HydrophobicContact SD-SD 4.3Å; M249-V276 HydrophobicContact CE-CG1 3.8Å; M249-V276 HydrophobicContact SD-CB 4.2Å; M249-V276 HydrophobicContact SD-CG1 3.86Å; M249-W373 HydrophobicContact CB-CD2 4.37Å; M249-W373 HydrophobicContact CB-CE3 4.45Å; M249-W373 HydrophobicContact CB-CH2 4.32Å; M249-W373 HydrophobicContact CB-CZ2 4.27Å; M249-W373 HydrophobicContact CB-CZ3 4.44Å; M249-W373 HydrophobicContact CE-CG 4.46Å; M249-W373 VanDerWaalsContact CE-NE1 3.27Å; M249-W373 HydrophobicContact CG-CD2 3.58Å; M249-W373 HydrophobicContact CG-CE3 4.11Å; M249-W373 HydrophobicContact CG-CG 4.02Å; M249-W373 HydrophobicContact CG-CH2 3.97Å; M249-W373 HydrophobicContact CG-CZ2 3.44Å; M249-W373 VanDerWaalsContact CG-CZ2 3.44Å; M249-W373 HydrophobicContact CG-CZ3 4.3Å
250	I	98.9	Very high	98.8	Very high	15 Å²	15	34.5 Å²	34.5	8%	0.077	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-44.1	-179.3	-67.2	167.6	0	0	0	110.5	V246 D247 F248 V252 A253 R254 L269 A270 M273	V246-I250 HydrophobicContact CG1-CD1 3.93Å; V246-I250 HydrophobicContact CG1-CG1 4.45Å; V246-I250 WeakPolarHBondContact O-CG1 3.37Å; V246-I250 PolarHBondContact O-N 3.36Å; D247-I250 PolarHBondContact O-N 2.92Å; F248-I250 PolarHBondContact O-N 2.95Å; I250-V252 PolarHBondContact O-N 3.47Å; I250-A253 PolarHBondContact O-N 3.19Å; I250-R254 WeakPolarHBondContact O-CB 3.29Å; I250-R254 PolarHBondContact O-N 3.32Å; I250-L269 HydrophobicContact CG2-CB 4.2Å; I250-L269 HydrophobicContact CG2-CD1 4.33Å; I250-A270 HydrophobicContact CD1-CB 4.14Å; I250-M273 HydrophobicContact CG1-CB 3.86Å; I250-M273 HydrophobicContact CG1-CG 3.89Å
251	S	98.9	Very high	98.8	Very high	34 Å²	34	39.5 Å²	39.5	24%	0.238	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-44.8	-178.5	-63.2	0	0	0	0	111.9	D247 F248 M249 R254 L255	D247-S251 VanDerWaalsContact O-CB 3.25Å; D247-S251 WeakPolarHBondContact O-CB 3.38Å; D247-S251 PolarHBondContact O-N 3.23Å; D247-S251 PolarHBondContact O-OG 3.13Å; F248-S251 PolarHBondContact O-N 2.99Å; M249-S251 VanDerWaalsContact C-N 3.33Å; M249-S251 PolarHBondContact O-N 3.31Å; S251-R254 WeakPolarHBondContact O-CB 3.43Å; S251-R254 PolarHBondContact O-N 3.4Å; S251-L255 WeakPolarHBondContact O-CG 3.38Å; S251-L255 PolarHBondContact O-N 2.68Å
252	V	98.9	Very high	98.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-70.3	-40.1	178.6	-178.5	0	0	0	0	111.4	W167 F248 M249 I250 R254 L255 I256 W373 I376 V380 Y387 S390	W167-V252 HydrophobicContact CH2-CB 4.33Å; W167-V252 HydrophobicContact CH2-CG1 4.41Å; W167-V252 HydrophobicContact CZ3-CB 4.32Å; W167-V252 HydrophobicContact CZ3-CG1 4.01Å; F248-V252 HydrophobicContact CD2-CG2 3.72Å; F248-V252 HydrophobicContact CE2-CG2 3.41Å; F248-V252 VanDerWaalsContact CE2-CG2 3.41Å; F248-V252 HydrophobicContact CZ-CG2 4.36Å; F248-V252 WeakPolarHBondContact O-CG2 3.4Å; F248-V252 PolarHBondContact O-N 2.96Å; F248-V252 VanDerWaalsContact O-N 3.07Å; M249-V252 PolarHBondContact O-N 3.25Å; I250-V252 PolarHBondContact O-N 3.47Å; V252-R254 VanDerWaalsContact C-N 3.29Å; V252-R254 PolarHBondContact O-N 3.04Å; V252-L255 PolarHBondContact O-N 3.4Å; V252-I256 HydrophobicContact CG1-CD1 4.07Å; V252-I256 WeakPolarHBondContact O-CG1 3.43Å; V252-I256 PolarHBondContact O-N 2.88Å; V252-W373 HydrophobicContact CB-CZ3 4.12Å; V252-W373 HydrophobicContact CG2-CH2 4.49Å; V252-W373 HydrophobicContact CG2-CZ3 4.09Å; V252-I376 HydrophobicContact CG1-CG2 3.6Å; V252-V380 HydrophobicContact CG1-CG1 3.92Å; V252-V380 HydrophobicContact CG2-CG1 3.84Å; V252-Y387 HydrophobicContact CG1-CD1 4.48Å; V252-Y387 HydrophobicContact CG1-CE1 4.47Å; V252-S390 WeakPolarHBondContact CG2-OG 3.1Å
253	A	98.9	Very high	98.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-42.8	174.5	0	0	0	0	0	111.2	W167 V169 M249 I250 I256 R257 L269	W167-A253 HydrophobicContact CH2-CB 3.76Å; W167-A253 HydrophobicContact CZ2-CB 4.5Å; W167-A253 HydrophobicContact CZ3-CB 3.81Å; V169-A253 HydrophobicContact CG1-CB 3.87Å; V169-A253 HydrophobicContact CG2-CB 4.16Å; M249-A253 WeakPolarHBondContact O-CB 3.42Å; M249-A253 PolarHBondContact O-N 2.98Å; I250-A253 PolarHBondContact O-N 3.19Å; A253-I256 PolarHBondContact O-N 2.98Å; A253-R257 VanDerWaalsContact O-CG 3.28Å; A253-R257 WeakPolarHBondContact O-CG 3.42Å; A253-R257 PolarHBondContact O-N 3.35Å; A253-L269 HydrophobicContact CB-CD2 3.97Å
254	R	98.9	Very high	98.7	Very high	71 Å²	71	44.7 Å²	44.7	27%	0.268	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-47.1	175.4	-170.7	-172.8	-61.2	124.4	2.2	111.7	I250 S251 V252 I256 R257 Q258 I264 E266 L269	I250-R254 WeakPolarHBondContact O-CB 3.29Å; I250-R254 PolarHBondContact O-N 3.32Å; S251-R254 WeakPolarHBondContact O-CB 3.43Å; S251-R254 PolarHBondContact O-N 3.4Å; V252-R254 VanDerWaalsContact C-N 3.29Å; V252-R254 PolarHBondContact O-N 3.04Å; R254-I256 PolarHBondContact O-N 3.22Å; R254-R257 PolarHBondContact O-N 2.64Å; R254-Q258 WeakPolarHBondContact O-CB 3.36Å; R254-Q258 VanDerWaalsContact O-CG 3.26Å; R254-Q258 WeakPolarHBondContact O-CG 3.23Å; R254-Q258 PolarHBondContact O-N 3.3Å; R254-I264 HydrophobicContact CG-CD1 4.08Å; R254-I264 HydrophobicContact CG-CG2 4.16Å; R254-E266 IonicContact CZ-OE1 2.76Å; R254-E266 IonicContact CZ-OE2 3.01Å; R254-E266 IonicContact NE-OE1 3.41Å; R254-E266 PolarHBondContact NE-OE1 2.71Å; R254-E266 IonicContact NE-OE2 2.82Å; R254-E266 PolarHBondContact NE-OE2 3.36Å; R254-E266 IonicContact NH2-OE1 3.34Å; R254-E266 PolarHBondContact NH2-OE1 2.92Å; R254-E266 IonicContact NH2-OE2 3.83Å; R254-E266 PolarHBondContact NH2-OE2 2.98Å; R254-L269 HydrophobicContact CB-CD1 4.08Å
255	L	98.9	Very high	98.7	Very high	26 Å²	26	48.8 Å²	48.8	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-46.1	179.1	-72.5	175.6	0	0	0	112.2	S251 V252 R257 Q258 E259 T386 Y387	S251-L255 WeakPolarHBondContact O-CG 3.38Å; S251-L255 PolarHBondContact O-N 2.68Å; V252-L255 PolarHBondContact O-N 3.4Å; L255-R257 PolarHBondContact O-N 3.5Å; L255-Q258 WeakPolarHBondContact O-CB 3.43Å; L255-Q258 PolarHBondContact O-N 2.77Å; L255-E259 PolarHBondContact O-N 3.2Å; L255-T386 HydrophobicContact CD1-CG2 4.29Å; L255-T386 HydrophobicContact CD2-CG2 3.57Å; L255-Y387 HydrophobicContact CB-CD1 4.37Å; L255-Y387 HydrophobicContact CB-CE1 3.79Å; L255-Y387 HydrophobicContact CD1-CD1 3.98Å; L255-Y387 HydrophobicContact CD1-CE1 4.25Å; L255-Y387 HydrophobicContact CD1-CG 4.17Å
256	I	98.9	Very high	98.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-46.8	178	-68.1	171.6	0	0	0	110.5	L157 L158 L161 W167 A170 V252 A253 R254 Q258 E259 E260 Y387	L157-I256 HydrophobicContact CD2-CD1 3.91Å; L157-I256 HydrophobicContact CD2-CG1 4.48Å; L158-I256 HydrophobicContact CD2-CB 4.41Å; L158-I256 HydrophobicContact CD2-CG1 4.38Å; L158-I256 HydrophobicContact CD2-CG2 3.65Å; L161-I256 HydrophobicContact CD1-CD1 4.42Å; L161-I256 HydrophobicContact CD1-CG2 4.2Å; W167-I256 HydrophobicContact CE3-CD1 3.73Å; W167-I256 HydrophobicContact CZ3-CD1 3.82Å; A170-I256 HydrophobicContact CB-CB 4.08Å; A170-I256 HydrophobicContact CB-CG2 3.58Å; V252-I256 HydrophobicContact CG1-CD1 4.07Å; V252-I256 WeakPolarHBondContact O-CG1 3.43Å; V252-I256 PolarHBondContact O-N 2.88Å; A253-I256 PolarHBondContact O-N 2.98Å; R254-I256 PolarHBondContact O-N 3.22Å; I256-Q258 VanDerWaalsContact C-N 3.32Å; I256-Q258 PolarHBondContact O-N 2.88Å; I256-E259 PolarHBondContact O-N 3.47Å; I256-E260 HydrophobicContact CG2-CG 4.5Å; I256-E260 WeakPolarHBondContact O-CB 3.4Å; I256-E260 PolarHBondContact O-N 3.18Å; I256-Y387 HydrophobicContact CG1-CE1 4.01Å
257	R	98.8	Very high	98.7	Very high	31 Å²	31	58.6 Å²	58.6	12%	0.117	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-38.1	177.9	-69.2	-176.3	79	78.4	10.3	112.4	V169 A170 A253 R254 L255 R261 L262 P263 I264	V169-R257 PolarHBondContact O-NH1 2.84Å; A170-R257 HydrophobicContact CB-CG 4.2Å; A253-R257 VanDerWaalsContact O-CG 3.28Å; A253-R257 WeakPolarHBondContact O-CG 3.42Å; A253-R257 PolarHBondContact O-N 3.35Å; R254-R257 PolarHBondContact O-N 2.64Å; L255-R257 PolarHBondContact O-N 3.5Å; R257-R261 PolarHBondContact O-N 3.29Å; R257-L262 HydrophobicContact CB-CB 4.13Å; R257-L262 HydrophobicContact CG-CB 4.39Å; R257-L262 HydrophobicContact CG-CD1 4.32Å; R257-L262 PolarHBondContact O-N 2.84Å; R257-P263 VanDerWaalsContact CZ-O 3.25Å; R257-P263 PolarHBondContact NE-O 3.25Å; R257-P263 PolarHBondContact NH2-O 3.09Å; R257-I264 HydrophobicContact CB-CG1 4.2Å
258	Q	98.7	Very high	98.6	Very high	103 Å²	103	58.5 Å²	58.5	48%	0.481	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-46.8	174.7	-75	172.4	-10.5	0	0	111.5	R254 L255 I256 R261 I264	R254-Q258 WeakPolarHBondContact O-CB 3.36Å; R254-Q258 VanDerWaalsContact O-CG 3.26Å; R254-Q258 WeakPolarHBondContact O-CG 3.23Å; R254-Q258 PolarHBondContact O-N 3.3Å; L255-Q258 WeakPolarHBondContact O-CB 3.43Å; L255-Q258 PolarHBondContact O-N 2.77Å; I256-Q258 VanDerWaalsContact C-N 3.32Å; I256-Q258 PolarHBondContact O-N 2.88Å; Q258-R261 PolarHBondContact O-N 3.16Å; Q258-R261 VanDerWaalsContact O-N 3.16Å; Q258-I264 HydrophobicContact CG-CD1 3.33Å
259	E	98.6	Very high	98.6	Very high	68 Å²	68	58.5 Å²	58.5	32%	0.318	28%	0.281	S	S	.	.	H	α-helix	trans	-68.9	-38.8	-178	-161.1	166.9	-173.2	0	0	112	G154 E155 L158 L255 I256 R261 Y387	G154-E259 WeakPolarHBondContact CA-OE2 3.28Å; G154-E259 VanDerWaalsContact N-CD 3.35Å; G154-E259 PolarHBondContact N-OE1 3.27Å; G154-E259 PolarHBondContact N-OE2 2.9Å; G154-E259 VanDerWaalsContact N-OE2 3.08Å; E155-E259 PolarHBondContact N-OE1 3.49Å; L158-E259 HydrophobicContact CD1-CB 4.28Å; L158-E259 HydrophobicContact CD1-CG 3.91Å; L255-E259 PolarHBondContact O-N 3.2Å; I256-E259 PolarHBondContact O-N 3.47Å; E259-R261 PolarHBondContact O-N 2.66Å; E259-Y387 VanDerWaalsContact OE2-CE2 3.3Å; E259-Y387 WeakPolarHBondContact OE2-CE2 2.85Å; E259-Y387 PolarHBondContact OE2-OH 3.49Å
260	E	98.3	Very high	98.6	Very high	81 Å²	81	60 Å²	60	38%	0.379	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	0.2	172.5	-68.6	-161.3	133.4	0	0	114	L158 I256 L262	L158-E260 HydrophobicContact CD1-CG 4.02Å; L158-E260 HydrophobicContact CD2-CG 3.93Å; I256-E260 HydrophobicContact CG2-CG 4.5Å; I256-E260 WeakPolarHBondContact O-CB 3.4Å; I256-E260 PolarHBondContact O-N 3.18Å; E260-L262 VanDerWaalsContact C-N 3.28Å; E260-L262 HydrophobicContact CB-CD1 4.12Å; E260-L262 HydrophobicContact CB-CD2 4.49Å; E260-L262 HydrophobicContact CB-CG 3.84Å; E260-L262 PolarHBondContact O-N 2.74Å
261	R	98.5	Very high	98.6	Very high	230 Å²	230	64.8 Å²	64.8	87%	0.868	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	35.5	-179.6	-52.6	178.8	-178.5	167.3	1	113.9	R257 Q258 E259	R257-R261 PolarHBondContact O-N 3.29Å; Q258-R261 PolarHBondContact O-N 3.16Å; Q258-R261 VanDerWaalsContact O-N 3.16Å; E259-R261 PolarHBondContact O-N 2.66Å
262	L	98.3	Very high	98.6	Very high	27 Å²	27	64 Å²	64	14%	0.141	31%	0.311	C	S	.	.			trans	-87.7	150	176.1	-54.1	-178	0	0	0	110.7	A170 E172 R257 E260	A170-L262 VanDerWaalsContact O-CD1 3.29Å; A170-L262 WeakPolarHBondContact O-CD1 3.37Å; E172-L262 HydrophobicContact CG-CD1 4.23Å; E172-L262 HydrophobicContact CG-CD2 3.87Å; R257-L262 HydrophobicContact CB-CB 4.13Å; R257-L262 HydrophobicContact CG-CB 4.39Å; R257-L262 HydrophobicContact CG-CD1 4.32Å; R257-L262 PolarHBondContact O-N 2.84Å; E260-L262 VanDerWaalsContact C-N 3.28Å; E260-L262 HydrophobicContact CB-CD1 4.12Å; E260-L262 HydrophobicContact CB-CD2 4.49Å; E260-L262 HydrophobicContact CB-CG 3.84Å; E260-L262 PolarHBondContact O-N 2.74Å
263	P	98.1	Very high	98.6	Very high	88 Å²	88	64 Å²	64	57%	0.571	31%	0.311	S	S	*	.			trans	-62.1	144.8	173.1	26.5	-33.9	0	0	0	110.8	E172 R257	E172-P263 WeakPolarHBondContact OE1-CD 3.48Å; R257-P263 VanDerWaalsContact CZ-O 3.25Å; R257-P263 PolarHBondContact NE-O 3.25Å; R257-P263 PolarHBondContact NH2-O 3.09Å
264	I	98.7	Very high	98.6	Very high	64 Å²	64	68.1 Å²	68.1	33%	0.328	33%	0.333	S	S	.	.			trans	-113	114.1	-178.7	-57.7	166.1	0	0	0	108.3	R254 R257 Q258 L269	R254-I264 HydrophobicContact CG-CD1 4.08Å; R254-I264 HydrophobicContact CG-CG2 4.16Å; R257-I264 HydrophobicContact CB-CG1 4.2Å; Q258-I264 HydrophobicContact CG-CD1 3.33Å; I264-L269 HydrophobicContact CG2-CD1 3.95Å
265	D	98.3	Very high	98.6	Very high	90 Å²	90	68.6 Å²	68.6	48%	0.481	34%	0.337	S	S	.	.			trans	-108.9	105.5	168.9	-178.4	-16.2	0	0	0	108.2	N267 Q268 L269	D265-N267 PolarHBondContact O-N 2.76Å; D265-N267 WeakPolarHBondContact OD1-CB 3.2Å; D265-N267 PolarHBondContact OD1-N 2.98Å; D265-Q268 HydrophobicContact CB-CB 3.92Å; D265-Q268 PolarHBondContact O-N 3.3Å; D265-Q268 PolarHBondContact OD1-N 2.79Å; D265-L269 WeakPolarHBondContact O-CG 3.32Å; D265-L269 PolarHBondContact O-N 2.97Å
266	E	98.2	Very high	98.6	Very high	82 Å²	82	67.4 Å²	67.4	38%	0.383	33%	0.331	S	S	.	.	H	α-helix	trans	-61.1	-32.8	-177.7	-65.8	-63.6	170.1	0	0	112.8	R254 A270	R254-E266 IonicContact CZ-OE1 2.76Å; R254-E266 IonicContact CZ-OE2 3.01Å; R254-E266 IonicContact NE-OE1 3.41Å; R254-E266 PolarHBondContact NE-OE1 2.71Å; R254-E266 IonicContact NE-OE2 2.82Å; R254-E266 PolarHBondContact NE-OE2 3.36Å; R254-E266 IonicContact NH2-OE1 3.34Å; R254-E266 PolarHBondContact NH2-OE1 2.92Å; R254-E266 IonicContact NH2-OE2 3.83Å; R254-E266 PolarHBondContact NH2-OE2 2.98Å; E266-A270 WeakPolarHBondContact O-CB 3.42Å; E266-A270 PolarHBondContact O-N 3.38Å
267	N	98.3	Very high	98.6	Very high	134 Å²	134	67.8 Å²	67.8	72%	0.717	33%	0.333	S	S	*	.	H	α-helix	trans	-70.2	-40.1	178.2	-68.2	-44.4	0	0	0	110.7	D265 A270 L271	D265-N267 PolarHBondContact O-N 2.76Å; D265-N267 WeakPolarHBondContact OD1-CB 3.2Å; D265-N267 PolarHBondContact OD1-N 2.98Å; N267-A270 PolarHBondContact O-N 3.22Å; N267-L271 VanDerWaalsContact O-CB 3.3Å; N267-L271 WeakPolarHBondContact O-CB 3.4Å; N267-L271 PolarHBondContact O-N 3.13Å
268	Q	98.3	Very high	98.6	Very high	81 Å²	81	71.8 Å²	71.8	38%	0.379	35%	0.353	S	S	.	.	H	α-helix	trans	-67.2	-41.7	176.5	-175.8	60.4	24.1	0	0	111.7	D265 A270 L271 E272	D265-Q268 HydrophobicContact CB-CB 3.92Å; D265-Q268 PolarHBondContact O-N 3.3Å; D265-Q268 PolarHBondContact OD1-N 2.79Å; Q268-A270 PolarHBondContact O-N 3.13Å; Q268-L271 PolarHBondContact O-N 2.71Å; Q268-E272 PolarHBondContact NE2-OE1 2.8Å; Q268-E272 PolarHBondContact O-N 3.19Å
269	L	98.8	Very high	98.6	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-58.3	-48.8	174	-68.9	-175.3	0	0	0	111.1	V169 I250 A253 R254 I264 D265 L271 E272 M273	V169-L269 HydrophobicContact CG2-CD2 3.47Å; V169-L269 VanDerWaalsContact CG2-CD2 3.47Å; I250-L269 HydrophobicContact CG2-CB 4.2Å; I250-L269 HydrophobicContact CG2-CD1 4.33Å; A253-L269 HydrophobicContact CB-CD2 3.97Å; R254-L269 HydrophobicContact CB-CD1 4.08Å; I264-L269 HydrophobicContact CG2-CD1 3.95Å; D265-L269 WeakPolarHBondContact O-CG 3.32Å; D265-L269 PolarHBondContact O-N 2.97Å; L269-L271 PolarHBondContact O-N 3.36Å; L269-E272 PolarHBondContact O-N 3.01Å; L269-M273 WeakPolarHBondContact O-CB 3.49Å; L269-M273 VanDerWaalsContact O-CG 3.3Å; L269-M273 WeakPolarHBondContact O-CG 2.96Å; L269-M273 PolarHBondContact O-N 2.84Å
270	A	98.7	Very high	98.6	Very high	31 Å²	31	63.9 Å²	63.9	26%	0.256	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-42.4	177.9	0	0	0	0	0	111.8	I250 E266 N267 Q268 N274	I250-A270 HydrophobicContact CD1-CB 4.14Å; E266-A270 WeakPolarHBondContact O-CB 3.42Å; E266-A270 PolarHBondContact O-N 3.38Å; N267-A270 PolarHBondContact O-N 3.22Å; Q268-A270 PolarHBondContact O-N 3.13Å; A270-N274 VanDerWaalsContact O-CB 3.27Å; A270-N274 WeakPolarHBondContact O-CB 3.32Å; A270-N274 PolarHBondContact O-N 3.49Å; A270-N274 PolarHBondContact O-ND2 2.87Å
271	L	98.8	Very high	98.7	Very high	115 Å²	115	64 Å²	64	60%	0.602	32%	0.315	S	S	*	.	H	α-helix	trans	-60.6	-49.8	178.5	-176	68.5	0	0	0	111.7	N267 Q268 L269 K275	N267-L271 VanDerWaalsContact O-CB 3.3Å; N267-L271 WeakPolarHBondContact O-CB 3.4Å; N267-L271 PolarHBondContact O-N 3.13Å; Q268-L271 PolarHBondContact O-N 2.71Å; L269-L271 PolarHBondContact O-N 3.36Å; L271-K275 PolarHBondContact O-N 3.42Å; L271-K275 VanDerWaalsContact O-N 3.15Å
272	E	98.8	Very high	98.7	Very high	17 Å²	17	55.2 Å²	55.2	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-42.3	-178.9	-70	-166.2	-131.6	0	0	112.3	V169 Q268 L269 K275 V276 R365 N369	V169-E272 HydrophobicContact CB-CB 4.44Å; V169-E272 HydrophobicContact CG2-CB 4.06Å; Q268-E272 PolarHBondContact NE2-OE1 2.8Å; Q268-E272 PolarHBondContact O-N 3.19Å; L269-E272 PolarHBondContact O-N 3.01Å; E272-K275 WeakPolarHBondContact O-CB 3.48Å; E272-K275 PolarHBondContact O-N 3.05Å; E272-V276 PolarHBondContact O-N 3.08Å; E272-R365 IonicContact OE1-CZ 2.69Å; E272-R365 IonicContact OE1-NE 3.47Å; E272-R365 IonicContact OE1-NH2 2.62Å; E272-R365 PolarHBondContact OE1-NH2 3.02Å; E272-R365 IonicContact OE2-CZ 2.8Å; E272-R365 IonicContact OE2-NE 2.85Å; E272-R365 PolarHBondContact OE2-NE 3.05Å; E272-R365 IonicContact OE2-NH2 3.17Å; E272-R365 PolarHBondContact OE2-NH2 2.99Å; E272-N369 PolarHBondContact OE2-ND2 3.16Å
273	M	98.8	Very high	98.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-75.1	-30.7	-177.7	-61.3	-57.9	87.6	0	0	112.8	W167 V169 V246 M249 I250 L269 K275 V276 M277 N369	W167-M273 HydrophobicContact CH2-SD 4.49Å; W167-M273 HydrophobicContact CZ2-SD 3.76Å; V169-M273 HydrophobicContact CB-CE 3.61Å; V169-M273 HydrophobicContact CG1-CE 3.67Å; V169-M273 HydrophobicContact CG1-SD 4.13Å; V169-M273 HydrophobicContact CG2-CE 3.79Å; V169-M273 HydrophobicContact CG2-SD 4.47Å; V246-M273 HydrophobicContact CG1-CB 4.25Å; M249-M273 HydrophobicContact CB-CB 3.94Å; M249-M273 HydrophobicContact CB-CG 3.74Å; M249-M273 HydrophobicContact CB-SD 3.63Å; M249-M273 HydrophobicContact CG-SD 4.31Å; M249-M273 HydrophobicContact SD-CB 4.08Å; M249-M273 HydrophobicContact SD-SD 4.3Å; I250-M273 HydrophobicContact CG1-CB 3.86Å; I250-M273 HydrophobicContact CG1-CG 3.89Å; L269-M273 WeakPolarHBondContact O-CB 3.49Å; L269-M273 VanDerWaalsContact O-CG 3.3Å; L269-M273 WeakPolarHBondContact O-CG 2.96Å; L269-M273 PolarHBondContact O-N 2.84Å; M273-K275 VanDerWaalsContact C-N 3.3Å; M273-K275 PolarHBondContact O-N 3.34Å; M273-V276 HydrophobicContact CE-CG2 3.77Å; M273-V276 WeakPolarHBondContact O-CB 3.48Å; M273-V276 PolarHBondContact O-N 3.02Å; M273-M277 PolarHBondContact O-N 2.89Å; M273-N369 HydrophobicContact CE-CB 4.37Å
274	N	98.8	Very high	98.7	Very high	87 Å²	87	50 Å²	50	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-65.9	-35	168.3	-80.7	-66.6	0	0	0	111.8	A270 M277 E278	A270-N274 VanDerWaalsContact O-CB 3.27Å; A270-N274 WeakPolarHBondContact O-CB 3.32Å; A270-N274 PolarHBondContact O-N 3.49Å; A270-N274 PolarHBondContact O-ND2 2.87Å; N274-M277 WeakPolarHBondContact O-CB 3.24Å; N274-M277 PolarHBondContact O-N 3.08Å; N274-E278 PolarHBondContact O-N 3.29Å
275	K	98.9	Very high	98.7	Very high	81 Å²	81	52.7 Å²	52.7	35%	0.352	27%	0.266	S	S	.	.	H	α-helix	trans	-67.5	-34.6	174.2	-163.8	174.7	-178.1	-163.7	0	112.5	L271 E272 M273 M277 E278 L279 D366	L271-K275 PolarHBondContact O-N 3.42Å; L271-K275 VanDerWaalsContact O-N 3.15Å; E272-K275 WeakPolarHBondContact O-CB 3.48Å; E272-K275 PolarHBondContact O-N 3.05Å; M273-K275 VanDerWaalsContact C-N 3.3Å; M273-K275 PolarHBondContact O-N 3.34Å; K275-M277 VanDerWaalsContact C-N 3.34Å; K275-E278 PolarHBondContact O-N 3.05Å; K275-L279 PolarHBondContact O-N 3.2Å; K275-D366 WeakPolarHBondContact CD-OD1 3.16Å; K275-D366 VanDerWaalsContact CE-CG 3.48Å; K275-D366 WeakPolarHBondContact CE-OD1 3.37Å; K275-D366 IonicContact NZ-OD1 3.94Å; K275-D366 PolarHBondContact NZ-OD1 2.93Å; K275-D366 IonicContact NZ-OD2 3.47Å; K275-D366 PolarHBondContact NZ-OD2 3.23Å
276	V	98.9	Very high	98.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-44.2	169.1	169.9	0	0	0	0	111.1	M249 E272 M273 L279 E280 N369 L370	M249-V276 HydrophobicContact CE-CG1 3.8Å; M249-V276 HydrophobicContact SD-CB 4.2Å; M249-V276 HydrophobicContact SD-CG1 3.86Å; E272-V276 PolarHBondContact O-N 3.08Å; M273-V276 HydrophobicContact CE-CG2 3.77Å; M273-V276 WeakPolarHBondContact O-CB 3.48Å; M273-V276 PolarHBondContact O-N 3.02Å; V276-L279 PolarHBondContact O-N 2.88Å; V276-E280 PolarHBondContact O-N 2.9Å; V276-N369 HydrophobicContact CG2-CB 3.58Å; V276-L370 HydrophobicContact CG1-CB 3.98Å; V276-L370 HydrophobicContact CG1-CD1 3.72Å; V276-L370 HydrophobicContact CG1-CG 4.44Å
277	M	98.9	Very high	98.8	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.039	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-39.8	176.6	-175.5	58.4	-179.3	0	0	112.3	L226 Y232 C234 C242 Y245 V246 M273 N274 K275 E280 K281	L226-M277 HydrophobicContact CD1-CE 3.96Å; Y232-M277 HydrophobicContact CD1-CE 3.63Å; Y232-M277 HydrophobicContact CD1-SD 4.15Å; Y232-M277 HydrophobicContact CE1-CE 3.9Å; Y232-M277 HydrophobicContact CE1-SD 3.92Å; C234-M277 WeakPolarHBondContact SG-CE 3.37Å; C242-M277 HydrophobicContact CB-CE 4.06Å; C242-M277 VanDerWaalsContact SG-CE 3.58Å; Y245-M277 HydrophobicContact CD1-SD 3.88Å; Y245-M277 HydrophobicContact CE1-SD 4.1Å; V246-M277 HydrophobicContact CG2-CB 3.79Å; V246-M277 HydrophobicContact CG2-CG 3.93Å; M273-M277 PolarHBondContact O-N 2.89Å; N274-M277 WeakPolarHBondContact O-CB 3.24Å; N274-M277 PolarHBondContact O-N 3.08Å; K275-M277 VanDerWaalsContact C-N 3.34Å; M277-E280 PolarHBondContact O-N 3.41Å; M277-K281 HydrophobicContact CE-CG 4.16Å; M277-K281 WeakPolarHBondContact O-CB 3.39Å; M277-K281 VanDerWaalsContact O-CG 3.28Å; M277-K281 WeakPolarHBondContact O-CG 3.45Å; M277-K281 PolarHBondContact O-N 3.14Å
278	E	98.9	Very high	98.8	Very high	114 Å²	114	40 Å²	40	53%	0.533	21%	0.206	S	C	.	.	H	α-helix	trans	-60	-47.4	174.6	-171.9	-177.6	175.3	0	0	111.7	N274 K275 E280 K281 E282	N274-E278 PolarHBondContact O-N 3.29Å; K275-E278 PolarHBondContact O-N 3.05Å; E278-E280 PolarHBondContact O-N 3.05Å; E278-K281 WeakPolarHBondContact O-CB 3.15Å; E278-K281 PolarHBondContact O-N 2.76Å; E278-E282 PolarHBondContact O-N 3.48Å; E278-E282 VanDerWaalsContact O-N 3.13Å
279	L	98.9	Very high	98.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-48.9	174.4	171.1	60.4	0	0	0	111.7	K275 V276 K281 E282 I283 I358 Y362 L367 L370	K275-L279 PolarHBondContact O-N 3.2Å; V276-L279 PolarHBondContact O-N 2.88Å; L279-K281 VanDerWaalsContact C-N 3.29Å; L279-K281 PolarHBondContact O-N 3.3Å; L279-E282 PolarHBondContact O-N 2.95Å; L279-I283 HydrophobicContact CD1-CD1 3.91Å; L279-I283 HydrophobicContact CD1-CG1 4.31Å; L279-I283 HydrophobicContact CG-CD1 3.99Å; L279-I283 WeakPolarHBondContact O-CG1 3.2Å; L279-I283 PolarHBondContact O-N 2.89Å; L279-I358 HydrophobicContact CD1-CG2 4.31Å; L279-Y362 WeakPolarHBondContact CA-OH 3.12Å; L279-Y362 HydrophobicContact CB-CD1 4.17Å; L279-Y362 HydrophobicContact CB-CE1 3.67Å; L279-Y362 HydrophobicContact CB-CE2 4.48Å; L279-Y362 HydrophobicContact CD1-CD1 4.14Å; L279-Y362 HydrophobicContact CD1-CD2 3.59Å; L279-Y362 HydrophobicContact CD1-CE1 4.12Å; L279-Y362 HydrophobicContact CD1-CE2 3.6Å; L279-Y362 HydrophobicContact CD1-CG 3.87Å; L279-Y362 HydrophobicContact CD2-CD1 4.48Å; L279-Y362 HydrophobicContact CG-CD1 4.48Å; L279-Y362 HydrophobicContact CG-CE1 4.37Å; L279-L367 HydrophobicContact CD1-CD2 4.18Å; L279-L367 HydrophobicContact CD2-CD2 3.84Å; L279-L370 HydrophobicContact CD2-CB 3.89Å; L279-L370 HydrophobicContact CD2-CD2 3.69Å; L279-L370 HydrophobicContact CD2-CG 4.45Å; L279-L370 HydrophobicContact CG-CD2 3.83Å
280	E	98.9	Very high	98.7	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.023	23%	0.227	C	C	.	.	H	α-helix	trans	-69.1	-28	-177.9	-156.6	175.8	-151	0	0	112.1	L224 G225 Y232 Y245 V276 M277 E278 I283 A284 L370 R374	L224-E280 HydrophobicContact CD2-CG 4.4Å; G225-E280 PolarHBondContact N-OE1 3.46Å; Y232-E280 HydrophobicContact CE1-CB 3.89Å; Y232-E280 HydrophobicContact CE1-CG 3.75Å; Y232-E280 WeakPolarHBondContact OH-CG 3.29Å; Y232-E280 PolarHBondContact OH-OE1 3.09Å; Y232-E280 PolarHBondContact OH-OE2 2.64Å; Y245-E280 WeakPolarHBondContact CE1-OE2 3.41Å; Y245-E280 PolarHBondContact OH-OE2 2.98Å; V276-E280 PolarHBondContact O-N 2.9Å; M277-E280 PolarHBondContact O-N 3.41Å; E278-E280 PolarHBondContact O-N 3.05Å; E280-I283 PolarHBondContact O-N 3.28Å; E280-A284 VanDerWaalsContact O-CB 3.24Å; E280-A284 WeakPolarHBondContact O-CB 3.27Å; E280-A284 PolarHBondContact O-N 3.37Å; E280-L370 HydrophobicContact CB-CD1 4.07Å; E280-L370 HydrophobicContact CB-CD2 4.21Å; E280-L370 HydrophobicContact CG-CD1 4.11Å; E280-L370 HydrophobicContact CG-CD2 4.36Å; E280-R374 VanDerWaalsContact OE1-CD 3.3Å; E280-R374 WeakPolarHBondContact OE1-CD 3.33Å; E280-R374 IonicContact OE1-NE 2.8Å; E280-R374 PolarHBondContact OE1-NE 3.06Å
281	K	98.9	Very high	98.6	Very high	83 Å²	83	44.5 Å²	44.5	36%	0.361	23%	0.225	S	C	.	.	H	α-helix	trans	-62	-45.3	168.7	-78.2	179.9	174.4	-172.5	0	112.1	Y232 C234 M277 E278 L279 I283 A284 N285	Y232-K281 HydrophobicContact CD1-CB 4.35Å; Y232-K281 HydrophobicContact CD1-CG 3.72Å; Y232-K281 HydrophobicContact CG-CG 4.38Å; Y232-K281 WeakPolarHBondContact O-CE 3.34Å; C234-K281 WeakPolarHBondContact SG-CE 3.5Å; M277-K281 HydrophobicContact CE-CG 4.16Å; M277-K281 WeakPolarHBondContact O-CB 3.39Å; M277-K281 VanDerWaalsContact O-CG 3.28Å; M277-K281 WeakPolarHBondContact O-CG 3.45Å; M277-K281 PolarHBondContact O-N 3.14Å; E278-K281 WeakPolarHBondContact O-CB 3.15Å; E278-K281 PolarHBondContact O-N 2.76Å; L279-K281 VanDerWaalsContact C-N 3.29Å; L279-K281 PolarHBondContact O-N 3.3Å; K281-I283 VanDerWaalsContact C-N 3.34Å; K281-A284 PolarHBondContact O-N 3.45Å; K281-N285 WeakPolarHBondContact O-CB 3.32Å; K281-N285 PolarHBondContact O-N 3.42Å
282	E	98.9	Very high	98.5	Very high	46 Å²	46	44.6 Å²	44.6	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-42.6	176.3	-71.5	-163.6	-114.8	0	0	111.3	E278 L279 N285 A286 I358 K361 Y362	E278-E282 PolarHBondContact O-N 3.48Å; E278-E282 VanDerWaalsContact O-N 3.13Å; L279-E282 PolarHBondContact O-N 2.95Å; E282-N285 PolarHBondContact O-N 3.47Å; E282-A286 PolarHBondContact O-N 3.11Å; E282-I358 HydrophobicContact CB-CD1 4.12Å; E282-I358 HydrophobicContact CB-CG1 4.27Å; E282-I358 HydrophobicContact CB-CG2 3.83Å; E282-I358 WeakPolarHBondContact O-CD1 3.48Å; E282-K361 IonicContact OE1-NZ 3.75Å; E282-K361 IonicContact OE2-NZ 2.92Å; E282-K361 PolarHBondContact OE2-NZ 2.88Å; E282-Y362 WeakPolarHBondContact OE1-CE2 3.32Å; E282-Y362 PolarHBondContact OE1-OH 3.27Å
283	I	98.9	Very high	98.5	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-48	176.1	-68.1	167.3	0	0	0	110.8	L200 P222 L224 L279 E280 K281 N285 A286 T287 Y351 L355 L370	L200-I283 HydrophobicContact CD2-CD1 3.51Å; P222-I283 HydrophobicContact CG-CG2 4.42Å; L224-I283 HydrophobicContact CD2-CG2 4.08Å; L279-I283 HydrophobicContact CD1-CD1 3.91Å; L279-I283 HydrophobicContact CD1-CG1 4.31Å; L279-I283 HydrophobicContact CG-CD1 3.99Å; L279-I283 WeakPolarHBondContact O-CG1 3.2Å; L279-I283 PolarHBondContact O-N 2.89Å; E280-I283 PolarHBondContact O-N 3.28Å; K281-I283 VanDerWaalsContact C-N 3.34Å; I283-N285 VanDerWaalsContact C-N 3.3Å; I283-N285 PolarHBondContact O-N 3.25Å; I283-A286 WeakPolarHBondContact O-CB 3.14Å; I283-A286 PolarHBondContact O-N 3.2Å; I283-A286 VanDerWaalsContact O-N 3.08Å; I283-T287 WeakPolarHBondContact O-CG2 3.41Å; I283-T287 PolarHBondContact O-N 3.36Å; I283-T287 VanDerWaalsContact O-N 3.1Å; I283-Y351 HydrophobicContact CG2-CE2 4.26Å; I283-L355 HydrophobicContact CG1-CD1 4.42Å; I283-L370 HydrophobicContact CD1-CD2 3.66Å
284	A	98.9	Very high	98.2	Very high	1 Å²	1	49 Å²	49	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-42.5	178.1	0	0	0	0	0	111.5	L224 R229 Y232 E280 K281 A286 T287	L224-A284 HydrophobicContact CD1-CB 3.63Å; L224-A284 HydrophobicContact CD2-CB 4.1Å; R229-A284 HydrophobicContact CB-CB 4.45Å; Y232-A284 HydrophobicContact CD1-CB 4.12Å; Y232-A284 HydrophobicContact CD2-CB 3.46Å; Y232-A284 VanDerWaalsContact CD2-CB 3.46Å; Y232-A284 HydrophobicContact CE2-CB 3.96Å; Y232-A284 HydrophobicContact CG-CB 3.55Å; E280-A284 VanDerWaalsContact O-CB 3.24Å; E280-A284 WeakPolarHBondContact O-CB 3.27Å; E280-A284 PolarHBondContact O-N 3.37Å; K281-A284 PolarHBondContact O-N 3.45Å; A284-A286 VanDerWaalsContact C-N 3.29Å; A284-A286 PolarHBondContact O-N 2.93Å; A284-T287 PolarHBondContact O-N 3.12Å; A284-T287 PolarHBondContact O-OG1 2.69Å
285	N	98.8	Very high	98.2	Very high	121 Å²	121	46.7 Å²	46.7	65%	0.647	23%	0.234	S	C	*	.	H	α-helix	trans	-65.5	-32.9	176.6	-172.1	52	0	0	0	112.7	K281 E282 I283 T287	K281-N285 WeakPolarHBondContact O-CB 3.32Å; K281-N285 PolarHBondContact O-N 3.42Å; E282-N285 PolarHBondContact O-N 3.47Å; I283-N285 VanDerWaalsContact C-N 3.3Å; I283-N285 PolarHBondContact O-N 3.25Å; N285-T287 VanDerWaalsContact C-N 3.35Å
286	A	98.8	Very high	98.1	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.033	22%	0.22	C	C	.	.	H	α-helix	trans	-72.1	-24.8	175.5	0	0	0	0	0	113.7	E282 I283 A284 Y351 K354 I358	E282-A286 PolarHBondContact O-N 3.11Å; I283-A286 WeakPolarHBondContact O-CB 3.14Å; I283-A286 PolarHBondContact O-N 3.2Å; I283-A286 VanDerWaalsContact O-N 3.08Å; A284-A286 VanDerWaalsContact C-N 3.29Å; A284-A286 PolarHBondContact O-N 2.93Å; A286-Y351 HydrophobicContact CB-CD2 3.91Å; A286-Y351 HydrophobicContact CB-CE2 4.06Å; A286-K354 HydrophobicContact CB-CB 3.79Å; A286-I358 HydrophobicContact CB-CD1 3.75Å
287	T	98.9	Very high	98	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.055	23%	0.232	C	C	.	.	S	Bend	trans	-64.6	137	177.1	67.1	0	0	0	0	111.7	Q221 L224 R229 I283 A284 N285 Y351	Q221-T287 HydrophobicContact CB-CG2 4.23Å; Q221-T287 HydrophobicContact CG-CG2 4.45Å; L224-T287 HydrophobicContact CD2-CG2 4.45Å; R229-T287 PolarHBondContact NE-O 3.25Å; I283-T287 WeakPolarHBondContact O-CG2 3.41Å; I283-T287 PolarHBondContact O-N 3.36Å; I283-T287 VanDerWaalsContact O-N 3.1Å; A284-T287 PolarHBondContact O-N 3.12Å; A284-T287 PolarHBondContact O-OG1 2.69Å; N285-T287 VanDerWaalsContact C-N 3.35Å; T287-Y351 HydrophobicContact CG2-CD2 4.32Å; T287-Y351 HydrophobicContact CG2-CE2 4.22Å
288	A	98.7	Very high	98	Very high	26 Å²	26	51.5 Å²	51.5	22%	0.215	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-69.2	145	171.9	0	0	0	0	0	109.8	Q221 R293	Q221-A288 PolarHBondContact NE2-O 2.88Å; Q221-A288 VanDerWaalsContact NE2-O 3.11Å; A288-R293 HydrophobicContact CB-CG 4.02Å
289	K	98.4	Very high	97.9	Very high	99 Å²	99	47.6 Å²	47.6	43%	0.43	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-74.5	157.9	178.8	-48.9	179.8	172.4	178	0	110.4	E291 D292 R293	K289-E291 WeakPolarHBondContact CB-OE2 3.24Å; K289-E291 PolarHBondContact O-N 2.87Å; K289-D292 PolarHBondContact O-N 3.08Å; K289-D292 VanDerWaalsContact O-N 3.14Å; K289-R293 WeakPolarHBondContact O-CG 3.1Å
290	P	96.9	Very high	97.9	Very high	66 Å²	66	48.4 Å²	48.4	43%	0.429	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-58	-33.6	177.6	-24.2	35.2	0	0	0	113.7	D292 R293 N294	P290-D292 PolarHBondContact O-N 2.92Å; P290-R293 CarbonylContact O-C 3.45Å; P290-R293 PolarHBondContact O-N 3.28Å; P290-N294 PolarHBondContact O-N 2.7Å
291	E	95.2	Very high	97.9	Very high	46 Å²	46	51 Å²	51	22%	0.215	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64	-30.2	179	-55.8	75.7	-173.7	0	0	112.2	K289 R293 N294 N640 I642 N643	K289-E291 WeakPolarHBondContact CB-OE2 3.24Å; K289-E291 PolarHBondContact O-N 2.87Å; E291-R293 VanDerWaalsContact C-N 3.26Å; E291-N294 PolarHBondContact O-OD1 2.73Å; E291-N294 VanDerWaalsContact O-OD1 3.08Å; E291-N640 PolarHBondContact OE1-ND2 3.49Å; E291-I642 HydrophobicContact CB-CG2 4.1Å; E291-I642 HydrophobicContact CG-CB 4.17Å; E291-I642 HydrophobicContact CG-CD1 4.31Å; E291-I642 HydrophobicContact CG-CG2 4.06Å; E291-N643 VanDerWaalsContact CG-OD1 3.29Å; E291-N643 WeakPolarHBondContact CG-OD1 3.36Å; E291-N643 PolarHBondContact N-OD1 3.12Å; E291-N643 PolarHBondContact OE1-ND2 3.21Å; E291-N643 PolarHBondContact OE1-OD1 2.96Å
292	D	97.4	Very high	97.9	Very high	117 Å²	117	51.4 Å²	51.4	63%	0.626	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-87.3	2.3	178.6	-55.6	-45.9	0	0	0	111.9	K289 P290	K289-D292 PolarHBondContact O-N 3.08Å; K289-D292 VanDerWaalsContact O-N 3.14Å; P290-D292 PolarHBondContact O-N 2.92Å
293	R	98	Very high	97.9	Very high	53 Å²	53	50.2 Å²	50.2	20%	0.2	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-126	8.1	-174	-65.8	174.6	55.7	92.7	-1.6	113.6	D220 A288 K289 P290 E291 L299	D220-R293 IonicContact OD1-CZ 3.52Å; D220-R293 IonicContact OD1-NH1 2.74Å; D220-R293 PolarHBondContact OD1-NH1 3.07Å; D220-R293 IonicContact OD1-NH2 2.99Å; D220-R293 PolarHBondContact OD1-NH2 3.38Å; D220-R293 IonicContact OD2-CZ 3.75Å; D220-R293 IonicContact OD2-NH1 3.83Å; D220-R293 IonicContact OD2-NH2 2.95Å; D220-R293 PolarHBondContact OD2-NH2 2.82Å; A288-R293 HydrophobicContact CB-CG 4.02Å; K289-R293 WeakPolarHBondContact O-CG 3.1Å; P290-R293 CarbonylContact O-C 3.45Å; P290-R293 PolarHBondContact O-N 3.28Å; E291-R293 VanDerWaalsContact C-N 3.26Å; R293-L299 HydrophobicContact CB-CD1 4.13Å; R293-L299 HydrophobicContact CG-CD1 4.03Å
294	N	94.3	Very high	97.9	Very high	57 Å²	57	51.7 Å²	51.7	31%	0.305	27%	0.268	S	S	.	.			trans	-82.9	-21.3	-176.2	63.1	-5.2	0	0	0	113.9	P290 E291 P296 I642	P290-N294 PolarHBondContact O-N 2.7Å; E291-N294 PolarHBondContact O-OD1 2.73Å; E291-N294 VanDerWaalsContact O-OD1 3.08Å; N294-P296 WeakPolarHBondContact O-CD 3.33Å; N294-I642 WeakPolarHBondContact ND2-CG2 3.46Å
295	D	97.6	Very high	97.9	Very high	38 Å²	38	51.7 Å²	51.7	20%	0.203	27%	0.268	C	S	.	.			trans	-88.4	104.9	175.7	-168.8	-35	0	0	0	110.8	M297 L298 L299	D295-M297 PolarHBondContact O-N 2.99Å; D295-M297 WeakPolarHBondContact OD1-CB 3.3Å; D295-M297 PolarHBondContact OD1-N 3.23Å; D295-L298 HydrophobicContact CB-CB 4.3Å; D295-L298 HydrophobicContact CB-CD1 4.12Å; D295-L298 HydrophobicContact CB-CG 4.19Å; D295-L298 PolarHBondContact O-N 2.86Å; D295-L298 PolarHBondContact OD1-N 2.74Å; D295-L299 WeakPolarHBondContact O-CB 3.42Å; D295-L299 PolarHBondContact O-N 2.94Å
296	P	97.3	Very high	97.9	Very high	9 Å²	9	48 Å²	48	6%	0.058	26%	0.255	C	S	.	.	H	α-helix	trans	-66.1	-24.8	-177.3	27.9	-35.5	0	0	0	112.9	N294 Y300 N596 F597 L603	N294-P296 WeakPolarHBondContact O-CD 3.33Å; P296-Y300 WeakPolarHBondContact O-CB 3.44Å; P296-Y300 PolarHBondContact O-N 3.37Å; P296-Y300 VanDerWaalsContact O-N 3.09Å; P296-N596 HydrophobicContact CG-CB 3.8Å; P296-N596 WeakPolarHBondContact CG-ND2 3.39Å; P296-F597 HydrophobicContact CB-CE2 4.25Å; P296-F597 HydrophobicContact CB-CZ 4.36Å; P296-F597 HydrophobicContact CG-CE2 4.15Å; P296-L603 HydrophobicContact CB-CD1 3.89Å; P296-L603 HydrophobicContact CB-CD2 4.42Å; P296-L603 HydrophobicContact CG-CD1 3.87Å; P296-L603 WeakPolarHBondContact O-CD2 3.36Å
297	M	96.8	Very high	97.9	Very high	53 Å²	53	52.4 Å²	52.4	26%	0.261	28%	0.275	S	S	.	.	H	α-helix	trans	-69	-38.5	177.9	-72.6	-71	-176	0	0	111.9	D295 N596 L603 V604 D605	D295-M297 PolarHBondContact O-N 2.99Å; D295-M297 WeakPolarHBondContact OD1-CB 3.3Å; D295-M297 PolarHBondContact OD1-N 3.23Å; M297-N596 HydrophobicContact CE-CB 4.37Å; M297-L603 HydrophobicContact CE-CD1 3.68Å; M297-L603 HydrophobicContact CE-CG 3.79Å; M297-L603 HydrophobicContact CG-CD1 4.07Å; M297-L603 HydrophobicContact CG-CG 4.49Å; M297-L603 HydrophobicContact SD-CD1 3.81Å; M297-L603 HydrophobicContact SD-CD2 4.15Å; M297-L603 HydrophobicContact SD-CG 3.65Å; M297-V604 VanDerWaalsContact CE-C 3.44Å; M297-D605 HydrophobicContact CE-CB 4.36Å
298	L	97.8	Very high	97.9	Very high	131 Å²	131	52 Å²	52	69%	0.686	27%	0.272	S	S	*	.	H	α-helix	trans	-78.7	-32.3	177.3	-61.2	-179.2	0	0	0	111.9	D295 N301	D295-L298 HydrophobicContact CB-CB 4.3Å; D295-L298 HydrophobicContact CB-CD1 4.12Å; D295-L298 HydrophobicContact CB-CG 4.19Å; D295-L298 PolarHBondContact O-N 2.86Å; D295-L298 PolarHBondContact OD1-N 2.74Å; L298-N301 PolarHBondContact O-ND2 3.43Å; L298-N301 VanDerWaalsContact O-ND2 3.08Å
299	L	98.1	Very high	97.9	Very high	31 Å²	31	53.6 Å²	53.6	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-69.4	-34.6	178.8	-161.2	69.5	0	0	0	111.9	R293 D295 N301 Y347	R293-L299 HydrophobicContact CB-CD1 4.13Å; R293-L299 HydrophobicContact CG-CD1 4.03Å; D295-L299 WeakPolarHBondContact O-CB 3.42Å; D295-L299 PolarHBondContact O-N 2.94Å; L299-N301 PolarHBondContact O-N 3.34Å; L299-N301 VanDerWaalsContact O-N 3.15Å; L299-N301 PolarHBondContact O-ND2 3.39Å; L299-Y347 HydrophobicContact CB-CD1 4.45Å; L299-Y347 WeakPolarHBondContact CD1-O 3.41Å; L299-Y347 HydrophobicContact CD2-CD1 4.04Å; L299-Y347 HydrophobicContact CD2-CE1 4.48Å; L299-Y347 HydrophobicContact CD2-CG 4.19Å; L299-Y347 HydrophobicContact CG-CD1 3.72Å; L299-Y347 HydrophobicContact CG-CE1 4.46Å; L299-Y347 HydrophobicContact CG-CG 4.07Å; L299-Y347 WeakPolarHBondContact O-CD1 3.43Å
300	Y	98.7	Very high	97.9	Very high	17 Å²	17	53.3 Å²	53.3	7%	0.067	29%	0.286	C	S	.	.			trans	-74.1	101.6	-178.4	-171.8	-83.1	0	0	0	112.7	D208 D209 K210 P296 K302 V345 L603	D208-Y300 WeakPolarHBondContact OD1-CE2 3.18Å; D208-Y300 PolarHBondContact OD1-OH 3.07Å; D208-Y300 PolarHBondContact OD2-OH 3.13Å; D209-Y300 HydrophobicContact CB-CD2 3.7Å; D209-Y300 HydrophobicContact CB-CE2 3.83Å; K210-Y300 HydrophobicContact CB-CE1 4.32Å; K210-Y300 HydrophobicContact CB-CE2 4.36Å; K210-Y300 HydrophobicContact CD-CD1 3.77Å; K210-Y300 HydrophobicContact CD-CE1 3.47Å; K210-Y300 VanDerWaalsContact CD-CE1 3.47Å; K210-Y300 HydrophobicContact CD-CG 4.49Å; K210-Y300 VanDerWaalsContact CE-CD1 3.44Å; K210-Y300 HydrophobicContact CG-CD1 4.06Å; K210-Y300 HydrophobicContact CG-CD2 4.35Å; K210-Y300 HydrophobicContact CG-CE1 3.7Å; K210-Y300 HydrophobicContact CG-CE2 3.99Å; K210-Y300 HydrophobicContact CG-CG 4.37Å; P296-Y300 WeakPolarHBondContact O-CB 3.44Å; P296-Y300 PolarHBondContact O-N 3.37Å; P296-Y300 VanDerWaalsContact O-N 3.09Å; Y300-K302 HydrophobicContact CD1-CB 4.41Å; Y300-K302 HydrophobicContact CE1-CB 3.6Å; Y300-K302 HydrophobicContact CE1-CD 4.44Å; Y300-V345 HydrophobicContact CD2-CG1 3.75Å; Y300-V345 HydrophobicContact CD2-CG2 4.32Å; Y300-V345 HydrophobicContact CE2-CB 4.47Å; Y300-V345 HydrophobicContact CE2-CG1 3.94Å; Y300-V345 HydrophobicContact CE2-CG2 3.63Å; Y300-V345 HydrophobicContact CG-CG1 4.28Å; Y300-L603 HydrophobicContact CD2-CD2 4.26Å; Y300-L603 HydrophobicContact CG-CD2 4.11Å
301	N	98.7	Very high	97.9	Very high	60 Å²	60	54.9 Å²	54.9	32%	0.321	29%	0.29	S	S	.	.			trans	-119.8	90.3	176.7	-59.2	-93.5	0	0	0	110.6	L298 L299 M303 V346	L298-N301 PolarHBondContact O-ND2 3.43Å; L298-N301 VanDerWaalsContact O-ND2 3.08Å; L299-N301 PolarHBondContact O-N 3.34Å; L299-N301 VanDerWaalsContact O-N 3.15Å; L299-N301 PolarHBondContact O-ND2 3.39Å; N301-M303 HydrophobicContact CB-CE 4.32Å; N301-V346 WeakPolarHBondContact CB-O 3.44Å; N301-V346 PolarHBondContact ND2-O 3.02Å; N301-V346 PolarHBondContact O-N 3.47Å
302	K	98.8	Very high	98.1	Very high	91 Å²	91	53.6 Å²	53.6	40%	0.396	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	131.2	177.5	-173.7	171.2	-176	171.2	0	111.4	D208 Y300 D343 V344 V345	D208-K302 IonicContact OD2-NZ 3.87Å; Y300-K302 HydrophobicContact CD1-CB 4.41Å; Y300-K302 HydrophobicContact CE1-CB 3.6Å; Y300-K302 HydrophobicContact CE1-CD 4.44Å; K302-D343 VanDerWaalsContact CE-CB 3.44Å; K302-D343 WeakPolarHBondContact CE-OD2 3.29Å; K302-D343 IonicContact NZ-OD2 2.96Å; K302-D343 PolarHBondContact NZ-OD2 3.36Å; K302-V344 WeakPolarHBondContact CA-O 3.27Å; K302-V345 HydrophobicContact CB-CG2 4.49Å
303	M	98.8	Very high	98.1	Very high	22 Å²	22	50.2 Å²	50.2	11%	0.108	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	166.9	176.5	65.9	-172.3	72.3	0	0	110.7	N301 Q307 L308 F312 V344 V346	N301-M303 HydrophobicContact CB-CE 4.32Å; M303-Q307 HydrophobicContact CB-CB 4.07Å; M303-L308 HydrophobicContact CG-CB 4.47Å; M303-L308 HydrophobicContact SD-CB 4.12Å; M303-L308 HydrophobicContact SD-CD1 4.08Å; M303-F312 HydrophobicContact CE-CE2 3.93Å; M303-F312 HydrophobicContact SD-CD2 4.41Å; M303-F312 HydrophobicContact SD-CE2 3.79Å; M303-V344 HydrophobicContact CG-CG2 3.98Å; M303-V344 PolarHBondContact N-O 3.47Å; M303-V344 WeakPolarHBondContact O-CG2 3.31Å; M303-V344 PolarHBondContact O-N 2.86Å; M303-V344 VanDerWaalsContact O-O 3.08Å; M303-V346 HydrophobicContact CE-CB 3.99Å; M303-V346 HydrophobicContact CE-CG2 3.74Å; M303-V346 HydrophobicContact CG-CG2 4.02Å; M303-V346 HydrophobicContact SD-CG2 3.8Å
304	T	98.9	Very high	98.1	Very high	34 Å²	34	47.9 Å²	47.9	21%	0.209	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	156.9	171.4	57.8	0	0	0	0	111.5	A306 Q307 L308 E342	T304-A306 PolarHBondContact O-N 3.47Å; T304-Q307 WeakPolarHBondContact O-CB 3.25Å; T304-Q307 PolarHBondContact O-N 3.44Å; T304-Q307 VanDerWaalsContact OG1-CG 3.32Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.37Å; T304-Q307 PolarHBondContact OG1-N 3.06Å; T304-Q307 PolarHBondContact OG1-OE1 3.02Å; T304-Q307 VanDerWaalsContact OG1-OE1 3.06Å; T304-L308 PolarHBondContact O-N 3.14Å; T304-E342 CarbonylContact C-O 3.46Å; T304-E342 VanDerWaalsContact CA-O 3.27Å; T304-E342 WeakPolarHBondContact CA-O 3.45Å
305	L	98.7	Very high	98.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-32.2	170.8	-81.5	-176.9	0	0	0	113.1	L308 Q309 W323 L324 T327 I338 N340 E342 V344	L305-L308 HydrophobicContact CD2-CD2 3.68Å; L305-L308 WeakPolarHBondContact O-CB 3.3Å; L305-L308 PolarHBondContact O-N 3.23Å; L305-Q309 WeakPolarHBondContact O-CB 3.03Å; L305-Q309 PolarHBondContact O-N 2.98Å; L305-W323 HydrophobicContact CD2-CB 4.45Å; L305-L324 HydrophobicContact CD1-CD1 4.17Å; L305-T327 HydrophobicContact CD1-CG2 4.26Å; L305-I338 HydrophobicContact CD1-CG2 3.46Å; L305-I338 VanDerWaalsContact CD1-CG2 3.46Å; L305-N340 PolarHBondContact N-O 2.95Å; L305-E342 HydrophobicContact CD1-CB 4Å; L305-E342 HydrophobicContact CG-CB 4.2Å; L305-E342 PolarHBondContact N-O 2.85Å; L305-V344 HydrophobicContact CD2-CG1 3.66Å; L305-V344 HydrophobicContact CD2-CG2 4.38Å; L305-V344 HydrophobicContact CG-CG1 3.85Å
306	A	98.8	Very high	98.3	Very high	45 Å²	45	48.1 Å²	48.1	37%	0.372	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-47.3	172.8	0	0	0	0	0	112	T304 Q309 S310 N340	T304-A306 PolarHBondContact O-N 3.47Å; A306-Q309 PolarHBondContact O-N 2.96Å; A306-S310 PolarHBondContact O-N 2.7Å; A306-S310 VanDerWaalsContact O-N 3.08Å; A306-N340 HydrophobicContact CB-CB 4.18Å; A306-N340 PolarHBondContact N-O 3.29Å
307	Q	98.8	Very high	98.3	Very high	96 Å²	96	51 Å²	51	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-65.4	-40.4	176.6	-73.6	166.2	-39.9	0	0	111.2	M303 T304 Q309 S310 N311	M303-Q307 HydrophobicContact CB-CB 4.07Å; T304-Q307 WeakPolarHBondContact O-CB 3.25Å; T304-Q307 PolarHBondContact O-N 3.44Å; T304-Q307 VanDerWaalsContact OG1-CG 3.32Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.37Å; T304-Q307 PolarHBondContact OG1-N 3.06Å; T304-Q307 PolarHBondContact OG1-OE1 3.02Å; T304-Q307 VanDerWaalsContact OG1-OE1 3.06Å; Q307-Q309 VanDerWaalsContact C-N 3.35Å; Q307-Q309 PolarHBondContact O-N 3.02Å; Q307-S310 PolarHBondContact O-N 2.86Å; Q307-N311 VanDerWaalsContact O-CB 3.3Å; Q307-N311 WeakPolarHBondContact O-CB 2.92Å; Q307-N311 VanDerWaalsContact O-CG 3.24Å; Q307-N311 PolarHBondContact O-N 3.06Å
308	L	98.7	Very high	98.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.8	-47.2	174.6	-177	79.1	0	0	0	111.3	I219 M303 T304 L305 S310 N311 F312 W323 V344 V346 L352	I219-L308 HydrophobicContact CD1-CD1 4.27Å; I219-L308 HydrophobicContact CD1-CD2 3.34Å; I219-L308 HydrophobicContact CD1-CG 4.47Å; M303-L308 HydrophobicContact CG-CB 4.47Å; M303-L308 HydrophobicContact SD-CB 4.12Å; M303-L308 HydrophobicContact SD-CD1 4.08Å; T304-L308 PolarHBondContact O-N 3.14Å; L305-L308 HydrophobicContact CD2-CD2 3.68Å; L305-L308 WeakPolarHBondContact O-CB 3.3Å; L305-L308 PolarHBondContact O-N 3.23Å; L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S310 PolarHBondContact O-N 3.47Å; L308-N311 PolarHBondContact O-N 3.35Å; L308-F312 HydrophobicContact CD1-CD2 3.58Å; L308-F312 HydrophobicContact CD1-CE2 4.16Å; L308-F312 HydrophobicContact CD1-CG 4.46Å; L308-F312 HydrophobicContact CG-CD2 4.37Å; L308-F312 PolarHBondContact O-N 3.48Å; L308-W323 HydrophobicContact CD2-CB 4.01Å; L308-W323 HydrophobicContact CD2-CD2 3.37Å; L308-W323 HydrophobicContact CD2-CE3 3.4Å; L308-W323 HydrophobicContact CD2-CG 3.67Å; L308-W323 HydrophobicContact CD2-CZ2 4.5Å; L308-W323 HydrophobicContact CD2-CZ3 3.99Å; L308-W323 HydrophobicContact CG-CD2 3.87Å; L308-W323 HydrophobicContact CG-CE3 4.29Å; L308-W323 HydrophobicContact CG-CG 4.07Å; L308-W323 HydrophobicContact CG-CZ2 4.47Å; L308-V344 HydrophobicContact CD2-CG2 4.43Å; L308-V346 HydrophobicContact CD1-CG2 3.64Å; L308-L352 HydrophobicContact CD1-CD1 4.11Å
309	Q	98.6	Very high	98.1	Very high	59 Å²	59	50 Å²	50	28%	0.276	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-38.9	178.1	-175	69.3	67.2	0	0	112.8	L305 A306 Q307 F321	L305-Q309 WeakPolarHBondContact O-CB 3.03Å; L305-Q309 PolarHBondContact O-N 2.98Å; A306-Q309 PolarHBondContact O-N 2.96Å; Q307-Q309 VanDerWaalsContact C-N 3.35Å; Q307-Q309 PolarHBondContact O-N 3.02Å; Q309-F321 PolarHBondContact NE2-O 3.06Å; Q309-F321 PolarHBondContact OE1-O 3.21Å
310	S	98.3	Very high	98.1	Very high	93 Å²	93	53.7 Å²	53.7	65%	0.65	31%	0.306	S	S	*	.	H	α-helix	trans	-70.4	-46	177.7	-178.1	0	0	0	0	112.1	A306 Q307 L308	A306-S310 PolarHBondContact O-N 2.7Å; A306-S310 VanDerWaalsContact O-N 3.08Å; Q307-S310 PolarHBondContact O-N 2.86Å; L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S310 PolarHBondContact O-N 3.47Å
311	N	98.4	Very high	98.1	Very high	99 Å²	99	53 Å²	53	53%	0.529	30%	0.304	S	S	.	.	H	α-helix	trans	-81.9	-32.1	-171.6	-66.1	-8.3	0	0	0	112.6	Q307 L308	Q307-N311 VanDerWaalsContact O-CB 3.3Å; Q307-N311 WeakPolarHBondContact O-CB 2.92Å; Q307-N311 VanDerWaalsContact O-CG 3.24Å; Q307-N311 PolarHBondContact O-N 3.06Å; L308-N311 PolarHBondContact O-N 3.35Å
312	F	98.4	Very high	98.1	Very high	19 Å²	19	52.2 Å²	52.2	8%	0.083	30%	0.303	C	S	.	.	S	Bend	trans	-126	62.6	-173.6	-50.4	-73.9	0	0	0	111.2	M303 L308 L314 W323 P349 L352	M303-F312 HydrophobicContact CE-CE2 3.93Å; M303-F312 HydrophobicContact SD-CD2 4.41Å; M303-F312 HydrophobicContact SD-CE2 3.79Å; L308-F312 HydrophobicContact CD1-CD2 3.58Å; L308-F312 HydrophobicContact CD1-CE2 4.16Å; L308-F312 HydrophobicContact CD1-CG 4.46Å; L308-F312 HydrophobicContact CG-CD2 4.37Å; L308-F312 PolarHBondContact O-N 3.48Å; F312-L314 PolarHBondContact O-N 2.95Å; F312-W323 HydrophobicContact CB-CZ2 4.38Å; F312-W323 PolarHBondContact O-NE1 2.68Å; F312-P349 HydrophobicContact CE1-CB 3.83Å; F312-P349 VanDerWaalsContact CE1-O 3.24Å; F312-P349 WeakPolarHBondContact CE1-O 3.32Å; F312-P349 HydrophobicContact CZ-CB 3.52Å; F312-L352 HydrophobicContact CB-CB 4.1Å; F312-L352 HydrophobicContact CB-CD1 4.3Å; F312-L352 HydrophobicContact CD1-CB 3.81Å; F312-L352 HydrophobicContact CD2-CD1 4.36Å; F312-L352 HydrophobicContact CG-CB 4.05Å; F312-L352 HydrophobicContact CG-CD1 4.14Å
313	S	97.9	Very high	98.1	Very high	46 Å²	46	47.9 Å²	47.9	32%	0.322	28%	0.284	S	S	.	.			trans	-67.3	128.8	171.8	48.3	0	0	0	0	111.2	K356	S313-K356 WeakPolarHBondContact O-CD 3.24Å; S313-K356 WeakPolarHBondContact O-CE 3.32Å; S313-K356 WeakPolarHBondContact O-CG 3.43Å; S313-K356 PolarHBondContact OG-NZ 3.01Å
314	L	98.6	Very high	98.1	Very high	5 Å²	5	49 Å²	49	3%	0.026	29%	0.29	C	S	.	.			trans	-115.3	147.7	171.2	-58.6	174	0	0	0	109.3	I201 F312 I316 F321 W323 L355 K356 L359	I201-L314 HydrophobicContact CD1-CD1 3.87Å; F312-L314 PolarHBondContact O-N 2.95Å; L314-I316 HydrophobicContact CB-CD1 4.45Å; L314-I316 HydrophobicContact CB-CG1 4.36Å; L314-F321 HydrophobicContact CB-CB 3.79Å; L314-F321 HydrophobicContact CB-CG 4.46Å; L314-F321 HydrophobicContact CD1-CD1 4.47Å; L314-F321 PolarHBondContact O-N 3.28Å; L314-W323 HydrophobicContact CD1-CZ2 4.03Å; L314-L355 HydrophobicContact CD1-CD2 4.36Å; L314-L355 HydrophobicContact CD2-CB 4.35Å; L314-K356 HydrophobicContact CD2-CB 3.88Å; L314-L359 HydrophobicContact CD1-CD1 4.48Å
315	E	98.3	Very high	98.1	Very high	95 Å²	95	50.3 Å²	50.3	44%	0.444	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.5	170.4	-176	-179.7	171.1	0	0	107.9	K319 T360	E315-K319 CarbonylContact C-O 3.44Å; E315-K319 WeakPolarHBondContact CA-O 3.29Å; E315-T360 HydrophobicContact CB-CG2 4.03Å
316	I	98.2	Very high	98.1	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.1	-173.1	-51	177.6	0	0	0	108.1	W182 A184 L314 G318 K319 F321 L359 L367	W182-I316 HydrophobicContact CH2-CG2 3.97Å; W182-I316 HydrophobicContact CZ3-CG2 4.26Å; A184-I316 HydrophobicContact CB-CB 3.95Å; A184-I316 HydrophobicContact CB-CD1 3.64Å; A184-I316 HydrophobicContact CB-CG1 4.39Å; A184-I316 HydrophobicContact CB-CG2 3.73Å; L314-I316 HydrophobicContact CB-CD1 4.45Å; L314-I316 HydrophobicContact CB-CG1 4.36Å; I316-G318 PolarHBondContact O-N 3.5Å; I316-K319 PolarHBondContact N-O 3.31Å; I316-K319 PolarHBondContact O-N 3.46Å; I316-K319 VanDerWaalsContact O-N 3.08Å; I316-F321 HydrophobicContact CD1-CB 4.47Å; I316-F321 HydrophobicContact CD1-CD2 3.75Å; I316-F321 HydrophobicContact CD1-CE2 4.31Å; I316-F321 HydrophobicContact CD1-CG 4.36Å; I316-L359 HydrophobicContact CD1-CD1 3.57Å; I316-L359 HydrophobicContact CG1-CB 4.11Å; I316-L359 HydrophobicContact CG1-CD1 3.83Å; I316-L367 HydrophobicContact CG2-CD1 3.29Å
317	N	96	Very high	98.1	Very high	68 Å²	68	48.1 Å²	48.1	36%	0.364	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	40.4	-175.7	-164.8	52.7	0	0	0	112.9	W182 K319 A364	W182-N317 HydrophobicContact CE3-CB 4.37Å; W182-N317 HydrophobicContact CZ3-CB 3.79Å; N317-K319 PolarHBondContact O-N 3.48Å; N317-A364 HydrophobicContact CB-CB 4.27Å; N317-A364 PolarHBondContact OD1-N 3Å
318	G	94.3	Very high	98.1	Very high	62 Å²	62	45.2 Å²	45.2	64%	0.639	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	15.6	-179.1	0	0	0	0	0	115	I316	I316-G318 PolarHBondContact O-N 3.5Å
319	K	96.6	Very high	98.1	Very high	103 Å²	103	48.1 Å²	48.1	45%	0.448	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.8	177.5	-63.9	-175.5	-178.3	-180	0	110.7	E315 I316 N317 F321	E315-K319 CarbonylContact C-O 3.44Å; E315-K319 WeakPolarHBondContact CA-O 3.29Å; I316-K319 PolarHBondContact N-O 3.31Å; I316-K319 PolarHBondContact O-N 3.46Å; I316-K319 VanDerWaalsContact O-N 3.08Å; N317-K319 PolarHBondContact O-N 3.48Å; K319-F321 PolarHBondContact O-N 2.88Å
320	P	98.1	Very high	98.2	Very high	107 Å²	107	45.3 Å²	45.3	70%	0.695	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	128.5	171.6	28.5	-32.9	0	0	0	109.7	S322	P320-S322 PolarHBondContact O-N 2.99Å
321	F	98.8	Very high	98.2	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.013	24%	0.235	C	C	.	.			trans	-71.8	127.1	178.8	-171.8	-98.4	0	0	0	110.7	A184 E185 I188 I201 Q309 L314 I316 K319 W323 F326	A184-F321 HydrophobicContact CB-CD2 4.01Å; A184-F321 HydrophobicContact CB-CE2 4.04Å; E185-F321 HydrophobicContact CB-CE2 4.33Å; E185-F321 HydrophobicContact CG-CD2 3.82Å; E185-F321 HydrophobicContact CG-CE2 3.66Å; E185-F321 HydrophobicContact CG-CG 4.46Å; E185-F321 HydrophobicContact CG-CZ 4.16Å; E185-F321 WeakPolarHBondContact OE1-CA 3.27Å; I188-F321 HydrophobicContact CD1-CE2 4.33Å; I201-F321 HydrophobicContact CD1-CE1 4.09Å; I201-F321 HydrophobicContact CD1-CE2 4.49Å; I201-F321 HydrophobicContact CD1-CZ 3.88Å; Q309-F321 PolarHBondContact NE2-O 3.06Å; Q309-F321 PolarHBondContact OE1-O 3.21Å; L314-F321 HydrophobicContact CB-CB 3.79Å; L314-F321 HydrophobicContact CB-CG 4.46Å; L314-F321 HydrophobicContact CD1-CD1 4.47Å; L314-F321 PolarHBondContact O-N 3.28Å; I316-F321 HydrophobicContact CD1-CB 4.47Å; I316-F321 HydrophobicContact CD1-CD2 3.75Å; I316-F321 HydrophobicContact CD1-CE2 4.31Å; I316-F321 HydrophobicContact CD1-CG 4.36Å; K319-F321 PolarHBondContact O-N 2.88Å; F321-W323 HydrophobicContact CD1-CD2 4.04Å; F321-W323 HydrophobicContact CD1-CE3 4.49Å; F321-W323 HydrophobicContact CD1-CG 4.21Å; F321-W323 AromaticContact CE1-CD2 3.85Å; F321-W323 HydrophobicContact CE1-CD2 3.85Å; F321-W323 AromaticContact CE1-CE3 3.84Å; F321-W323 HydrophobicContact CE1-CE3 3.84Å; F321-W323 HydrophobicContact CE1-CG 4.29Å; F321-W323 HydrophobicContact CE1-CZ3 4.22Å; F321-F326 HydrophobicContact CE1-CB 3.8Å; F321-F326 AromaticContact CE1-CD1 3.98Å; F321-F326 HydrophobicContact CE1-CD1 3.98Å; F321-F326 AromaticContact CE1-CG 3.99Å; F321-F326 HydrophobicContact CE1-CG 3.99Å; F321-F326 HydrophobicContact CE2-CB 4.35Å; F321-F326 HydrophobicContact CE2-CG 4.47Å; F321-F326 HydrophobicContact CZ-CB 3.5Å; F321-F326 AromaticContact CZ-CD1 3.78Å; F321-F326 HydrophobicContact CZ-CD1 3.78Å; F321-F326 AromaticContact CZ-CD2 3.96Å; F321-F326 HydrophobicContact CZ-CD2 3.96Å; F321-F326 HydrophobicContact CZ-CE1 4.48Å; F321-F326 AromaticContact CZ-CG 3.47Å; F321-F326 HydrophobicContact CZ-CG 3.47Å; F321-F326 VanDerWaalsContact CZ-CG 3.47Å
322	S	98.8	Very high	98.2	Very high	44 Å²	44	39 Å²	39	31%	0.308	23%	0.229	S	C	.	.			trans	-96.1	105.7	175	179.2	0	0	0	0	110.9	E185 P320 L324 N325 F326	E185-S322 PolarHBondContact OE1-N 2.72Å; P320-S322 PolarHBondContact O-N 2.99Å; S322-L324 VanDerWaalsContact C-N 3.27Å; S322-L324 PolarHBondContact O-N 2.98Å; S322-N325 PolarHBondContact O-N 2.93Å; S322-N325 WeakPolarHBondContact OG-CB 3.48Å; S322-N325 PolarHBondContact OG-N 3.33Å; S322-F326 WeakPolarHBondContact O-CB 3.33Å; S322-F326 PolarHBondContact O-N 2.93Å
323	W	98.9	Very high	98.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-37.1	176.5	-73	99.6	0	0	0	112.5	I201 I219 L305 L308 F312 L314 F321 F326 T327 L352	I201-W323 HydrophobicContact CD1-CH2 3.91Å; I201-W323 HydrophobicContact CD1-CZ3 4.19Å; I201-W323 HydrophobicContact CG2-CH2 4.08Å; I201-W323 HydrophobicContact CG2-CZ3 3.87Å; I219-W323 HydrophobicContact CD1-CE3 4.02Å; I219-W323 HydrophobicContact CD1-CZ3 3.79Å; I219-W323 HydrophobicContact CG2-CH2 4.26Å; I219-W323 HydrophobicContact CG2-CZ3 4.12Å; L305-W323 HydrophobicContact CD2-CB 4.45Å; L308-W323 HydrophobicContact CD2-CB 4.01Å; L308-W323 HydrophobicContact CD2-CD2 3.37Å; L308-W323 HydrophobicContact CD2-CE3 3.4Å; L308-W323 HydrophobicContact CD2-CG 3.67Å; L308-W323 HydrophobicContact CD2-CZ2 4.5Å; L308-W323 HydrophobicContact CD2-CZ3 3.99Å; L308-W323 HydrophobicContact CG-CD2 3.87Å; L308-W323 HydrophobicContact CG-CE3 4.29Å; L308-W323 HydrophobicContact CG-CG 4.07Å; L308-W323 HydrophobicContact CG-CZ2 4.47Å; F312-W323 HydrophobicContact CB-CZ2 4.38Å; F312-W323 PolarHBondContact O-NE1 2.68Å; L314-W323 HydrophobicContact CD1-CZ2 4.03Å; F321-W323 HydrophobicContact CD1-CD2 4.04Å; F321-W323 HydrophobicContact CD1-CE3 4.49Å; F321-W323 HydrophobicContact CD1-CG 4.21Å; F321-W323 AromaticContact CE1-CD2 3.85Å; F321-W323 HydrophobicContact CE1-CD2 3.85Å; F321-W323 AromaticContact CE1-CE3 3.84Å; F321-W323 HydrophobicContact CE1-CE3 3.84Å; F321-W323 HydrophobicContact CE1-CG 4.29Å; F321-W323 HydrophobicContact CE1-CZ3 4.22Å; W323-F326 HydrophobicContact CE3-CD1 4.18Å; W323-F326 HydrophobicContact CZ3-CD1 4.42Å; W323-F326 HydrophobicContact CZ3-CE1 4.49Å; W323-T327 VanDerWaalsContact O-CB 3.32Å; W323-T327 WeakPolarHBondContact O-CB 3.35Å; W323-T327 PolarHBondContact O-N 3.06Å; W323-T327 PolarHBondContact O-OG1 2.95Å; W323-L352 HydrophobicContact CH2-CD1 3.88Å; W323-L352 HydrophobicContact CH2-CD2 3.8Å; W323-L352 HydrophobicContact CH2-CG 4.47Å; W323-L352 HydrophobicContact CZ2-CD1 4.07Å; W323-L352 HydrophobicContact CZ2-CD2 4.25Å
324	L	98.8	Very high	98.2	Very high	44 Å²	44	40.1 Å²	40.1	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-45.7	175.6	-176.8	67.3	0	0	0	111.6	L305 S322 N328 I338 T339 N340	L305-L324 HydrophobicContact CD1-CD1 4.17Å; S322-L324 VanDerWaalsContact C-N 3.27Å; S322-L324 PolarHBondContact O-N 2.98Å; L324-N328 WeakPolarHBondContact CD1-ND2 3.29Å; L324-N328 WeakPolarHBondContact O-CB 3.46Å; L324-N328 PolarHBondContact O-N 2.84Å; L324-N328 PolarHBondContact O-ND2 3.06Å; L324-I338 HydrophobicContact CD1-CG2 4.43Å; L324-I338 WeakPolarHBondContact CD1-O 3.43Å; L324-T339 VanDerWaalsContact CD1-C 3.49Å; L324-N340 WeakPolarHBondContact CD2-OD1 3.36Å
325	N	98.8	Very high	98.2	Very high	62 Å²	62	47.3 Å²	47.3	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-63.8	-50.8	177.5	179.7	-90.7	0	0	0	110.3	E185 S322 T327 N328 E329	E185-N325 WeakPolarHBondContact CB-OD1 3.48Å; E185-N325 HydrophobicContact CG-CB 4.47Å; S322-N325 PolarHBondContact O-N 2.93Å; S322-N325 WeakPolarHBondContact OG-CB 3.48Å; S322-N325 PolarHBondContact OG-N 3.33Å; N325-T327 VanDerWaalsContact C-N 3.3Å; N325-T327 PolarHBondContact O-N 3.26Å; N325-N328 CarbonylContact O-C 3.53Å; N325-N328 PolarHBondContact O-N 3.48Å; N325-N328 VanDerWaalsContact O-N 3.11Å; N325-E329 VanDerWaalsContact O-CG 3.29Å; N325-E329 WeakPolarHBondContact O-CG 3.45Å; N325-E329 PolarHBondContact O-N 3.26Å; N325-E329 WeakPolarHBondContact OD1-CG 3.24Å
326	F	98.9	Very high	98.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-51.9	-47.7	176.6	170.1	-122.1	0	0	0	112.7	E185 I188 A189 I201 L203 F321 S322 W323 E329 I330	E185-F326 HydrophobicContact CB-CB 4.07Å; E185-F326 HydrophobicContact CG-CB 3.96Å; I188-F326 HydrophobicContact CB-CE2 3.89Å; I188-F326 HydrophobicContact CG2-CE2 3.58Å; I188-F326 HydrophobicContact CG2-CZ 3.91Å; A189-F326 HydrophobicContact CB-CD2 4.17Å; A189-F326 HydrophobicContact CB-CE2 4.27Å; I201-F326 HydrophobicContact CG2-CE1 4.01Å; I201-F326 HydrophobicContact CG2-CZ 4.35Å; L203-F326 HydrophobicContact CB-CE1 3.92Å; L203-F326 HydrophobicContact CB-CZ 4.04Å; L203-F326 HydrophobicContact CD1-CD1 4.05Å; L203-F326 HydrophobicContact CD1-CE1 3.56Å; L203-F326 HydrophobicContact CD1-CZ 4.26Å; L203-F326 HydrophobicContact CG-CE1 4.41Å; F321-F326 HydrophobicContact CE1-CB 3.8Å; F321-F326 AromaticContact CE1-CD1 3.98Å; F321-F326 HydrophobicContact CE1-CD1 3.98Å; F321-F326 AromaticContact CE1-CG 3.99Å; F321-F326 HydrophobicContact CE1-CG 3.99Å; F321-F326 HydrophobicContact CE2-CB 4.35Å; F321-F326 HydrophobicContact CE2-CG 4.47Å; F321-F326 HydrophobicContact CZ-CB 3.5Å; F321-F326 AromaticContact CZ-CD1 3.78Å; F321-F326 HydrophobicContact CZ-CD1 3.78Å; F321-F326 AromaticContact CZ-CD2 3.96Å; F321-F326 HydrophobicContact CZ-CD2 3.96Å; F321-F326 HydrophobicContact CZ-CE1 4.48Å; F321-F326 AromaticContact CZ-CG 3.47Å; F321-F326 HydrophobicContact CZ-CG 3.47Å; F321-F326 VanDerWaalsContact CZ-CG 3.47Å; S322-F326 WeakPolarHBondContact O-CB 3.33Å; S322-F326 PolarHBondContact O-N 2.93Å; W323-F326 HydrophobicContact CE3-CD1 4.18Å; W323-F326 HydrophobicContact CZ3-CD1 4.42Å; W323-F326 HydrophobicContact CZ3-CE1 4.49Å; F326-E329 PolarHBondContact O-N 3.37Å; F326-I330 HydrophobicContact CD2-CD1 4.24Å; F326-I330 HydrophobicContact CE1-CD1 4.26Å; F326-I330 HydrophobicContact CE2-CD1 3.56Å; F326-I330 HydrophobicContact CE2-CG1 4.33Å; F326-I330 HydrophobicContact CZ-CD1 3.58Å; F326-I330 PolarHBondContact O-N 2.92Å
327	T	98.9	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-42.1	-179.9	-52.9	0	0	0	0	111.3	L203 I217 L305 W323 N325 I330 M331 I338	L203-T327 HydrophobicContact CD1-CG2 4.27Å; I217-T327 HydrophobicContact CD1-CG2 3.6Å; L305-T327 HydrophobicContact CD1-CG2 4.26Å; W323-T327 VanDerWaalsContact O-CB 3.32Å; W323-T327 WeakPolarHBondContact O-CB 3.35Å; W323-T327 PolarHBondContact O-N 3.06Å; W323-T327 PolarHBondContact O-OG1 2.95Å; N325-T327 VanDerWaalsContact C-N 3.3Å; N325-T327 PolarHBondContact O-N 3.26Å; T327-I330 PolarHBondContact O-N 3.42Å; T327-M331 HydrophobicContact CG2-CG 4.18Å; T327-M331 WeakPolarHBondContact O-CB 3.46Å; T327-M331 WeakPolarHBondContact O-CG 3.39Å; T327-M331 PolarHBondContact O-N 2.92Å; T327-I338 HydrophobicContact CG2-CB 4.36Å; T327-I338 HydrophobicContact CG2-CG1 4.13Å; T327-I338 HydrophobicContact CG2-CG2 4Å
328	N	98.8	Very high	98.4	Very high	35 Å²	35	45.5 Å²	45.5	19%	0.187	28%	0.275	C	S	.	.	H	α-helix	trans	-69.5	-34.6	176.4	-82.8	-74.5	0	0	0	113.2	L324 N325 I330 M331 S332 I338	L324-N328 WeakPolarHBondContact CD1-ND2 3.29Å; L324-N328 WeakPolarHBondContact O-CB 3.46Å; L324-N328 PolarHBondContact O-N 2.84Å; L324-N328 PolarHBondContact O-ND2 3.06Å; N325-N328 CarbonylContact O-C 3.53Å; N325-N328 PolarHBondContact O-N 3.48Å; N325-N328 VanDerWaalsContact O-N 3.11Å; N328-I330 PolarHBondContact O-N 2.79Å; N328-M331 PolarHBondContact O-N 2.9Å; N328-S332 WeakPolarHBondContact O-CB 3.45Å; N328-S332 PolarHBondContact O-N 3.26Å; N328-S332 PolarHBondContact O-OG 2.9Å; N328-I338 PolarHBondContact ND2-O 3.34Å; N328-I338 PolarHBondContact OD1-N 2.91Å; N328-I338 PolarHBondContact OD1-O 3.24Å
329	E	98.8	Very high	98.6	Very high	62 Å²	62	46 Å²	46	29%	0.29	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-33.9	173.5	-69.9	-74.3	170.6	0	0	110.7	K186 A189 N325 F326 S332	K186-E329 VanDerWaalsContact CE-OE1 3.25Å; K186-E329 WeakPolarHBondContact CE-OE1 3.41Å; K186-E329 HydrophobicContact CG-CG 4.19Å; A189-E329 HydrophobicContact CB-CB 3.56Å; N325-E329 VanDerWaalsContact O-CG 3.29Å; N325-E329 WeakPolarHBondContact O-CG 3.45Å; N325-E329 PolarHBondContact O-N 3.26Å; N325-E329 WeakPolarHBondContact OD1-CG 3.24Å; F326-E329 PolarHBondContact O-N 3.37Å; E329-S332 PolarHBondContact O-OG 3.48Å
330	I	98.9	Very high	98.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-75.9	-55.8	172.4	-64.8	174.4	0	0	0	111.4	A189 N192 L203 F326 T327 N328 S332 T333 L523	A189-I330 HydrophobicContact CB-CD1 4.35Å; A189-I330 HydrophobicContact CB-CG1 3.53Å; N192-I330 HydrophobicContact CB-CD1 3.93Å; N192-I330 HydrophobicContact CB-CG1 4.36Å; L203-I330 HydrophobicContact CB-CD1 4.23Å; L203-I330 HydrophobicContact CD1-CD1 4.2Å; L203-I330 HydrophobicContact CD2-CD1 3.96Å; L203-I330 HydrophobicContact CD2-CG2 4.33Å; L203-I330 HydrophobicContact CG-CD1 4.36Å; F326-I330 HydrophobicContact CD2-CD1 4.24Å; F326-I330 HydrophobicContact CE1-CD1 4.26Å; F326-I330 HydrophobicContact CE2-CD1 3.56Å; F326-I330 HydrophobicContact CE2-CG1 4.33Å; F326-I330 HydrophobicContact CZ-CD1 3.58Å; F326-I330 PolarHBondContact O-N 2.92Å; T327-I330 PolarHBondContact O-N 3.42Å; N328-I330 PolarHBondContact O-N 2.79Å; I330-S332 VanDerWaalsContact C-N 3.31Å; I330-S332 PolarHBondContact O-N 3.41Å; I330-T333 WeakPolarHBondContact O-CB 3.45Å; I330-T333 WeakPolarHBondContact O-CG2 3.49Å; I330-T333 PolarHBondContact O-N 3.21Å; I330-T333 PolarHBondContact O-OG1 3.41Å; I330-L523 HydrophobicContact CG2-CD1 3.78Å; I330-L523 HydrophobicContact CG2-CD2 3.88Å
331	M	98.8	Very high	98.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-72.6	-21.9	-169.7	-63.8	-51.1	-56.2	0	0	113.6	V205 I217 T327 N328 T333 V334 N335 I336 I338 L523 L526	V205-M331 HydrophobicContact CG2-CE 4.37Å; V205-M331 HydrophobicContact CG2-SD 4.23Å; I217-M331 HydrophobicContact CD1-CG 4.31Å; T327-M331 HydrophobicContact CG2-CG 4.18Å; T327-M331 WeakPolarHBondContact O-CB 3.46Å; T327-M331 WeakPolarHBondContact O-CG 3.39Å; T327-M331 PolarHBondContact O-N 2.92Å; N328-M331 PolarHBondContact O-N 2.9Å; M331-T333 PolarHBondContact O-N 3.08Å; M331-V334 HydrophobicContact CE-CG2 3.88Å; M331-V334 CarbonylContact O-C 3.57Å; M331-V334 VanDerWaalsContact O-CG2 3.22Å; M331-V334 WeakPolarHBondContact O-CG2 3.39Å; M331-V334 PolarHBondContact O-N 3.48Å; M331-V334 VanDerWaalsContact O-N 3.13Å; M331-N335 PolarHBondContact O-N 3Å; M331-I336 CarbonylContact C-O 3.38Å; M331-I336 HydrophobicContact CB-CB 4.25Å; M331-I336 WeakPolarHBondContact CB-O 3.18Å; M331-I336 HydrophobicContact CE-CB 4.07Å; M331-I336 HydrophobicContact CE-CD1 3.78Å; M331-I336 HydrophobicContact CE-CG1 4.47Å; M331-I336 HydrophobicContact CE-CG2 4.27Å; M331-I336 PolarHBondContact O-N 3.4Å; M331-I338 HydrophobicContact CB-CG1 3.89Å; M331-I338 HydrophobicContact CG-CD1 4.23Å; M331-I338 HydrophobicContact CG-CG1 3.81Å; M331-L523 HydrophobicContact CE-CB 4.41Å; M331-L523 HydrophobicContact SD-CD2 3.95Å; M331-L526 HydrophobicContact CE-CB 4.04Å; M331-L526 HydrophobicContact CE-CD2 3.58Å; M331-L526 HydrophobicContact CE-CG 4.45Å; M331-L526 HydrophobicContact SD-CD2 4.4Å
332	S	98.3	Very high	98.7	Very high	59 Å²	59	46.3 Å²	46.3	41%	0.413	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-64.1	-25.1	173.3	62.6	0	0	0	0	113	N328 E329 I330 V334 N335	N328-S332 WeakPolarHBondContact O-CB 3.45Å; N328-S332 PolarHBondContact O-N 3.26Å; N328-S332 PolarHBondContact O-OG 2.9Å; E329-S332 PolarHBondContact O-OG 3.48Å; I330-S332 VanDerWaalsContact C-N 3.31Å; I330-S332 PolarHBondContact O-N 3.41Å; S332-V334 PolarHBondContact O-N 3.37Å; S332-V334 VanDerWaalsContact O-N 3.13Å; S332-N335 PolarHBondContact O-N 2.89Å
333	T	98.4	Very high	98.7	Very high	71 Å²	71	47.4 Å²	47.4	44%	0.436	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-62.9	-18.6	174.4	66.3	0	0	0	0	113.4	S193 I330 M331	S193-T333 WeakPolarHBondContact OG-CG2 3.28Å; I330-T333 WeakPolarHBondContact O-CB 3.45Å; I330-T333 WeakPolarHBondContact O-CG2 3.49Å; I330-T333 PolarHBondContact O-N 3.21Å; I330-T333 PolarHBondContact O-OG1 3.41Å; M331-T333 PolarHBondContact O-N 3.08Å
334	V	98.4	Very high	98.7	Very high	17 Å²	17	47.4 Å²	47.4	10%	0.103	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-119.3	20.9	174.2	-63	0	0	0	0	112.1	M331 S332 I336 L523 K524	M331-V334 HydrophobicContact CE-CG2 3.88Å; M331-V334 CarbonylContact O-C 3.57Å; M331-V334 VanDerWaalsContact O-CG2 3.22Å; M331-V334 WeakPolarHBondContact O-CG2 3.39Å; M331-V334 PolarHBondContact O-N 3.48Å; M331-V334 VanDerWaalsContact O-N 3.13Å; S332-V334 PolarHBondContact O-N 3.37Å; S332-V334 VanDerWaalsContact O-N 3.13Å; V334-I336 VanDerWaalsContact C-N 3.27Å; V334-I336 HydrophobicContact CG2-CB 4.47Å; V334-I336 HydrophobicContact CG2-CD1 3.96Å; V334-I336 HydrophobicContact CG2-CG1 4.15Å; V334-I336 PolarHBondContact O-N 2.89Å; V334-L523 HydrophobicContact CG1-CB 3.89Å; V334-L523 HydrophobicContact CG2-CB 3.84Å; V334-K524 HydrophobicContact CB-CG 3.89Å; V334-K524 HydrophobicContact CG1-CG 3.81Å
335	N	98.4	Very high	98.7	Very high	157 Å²	157	45.3 Å²	45.3	84%	0.84	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	33.4	177	-58.5	-39.2	0	0	0	114.6	M331 S332	M331-N335 PolarHBondContact O-N 3Å; S332-N335 PolarHBondContact O-N 2.89Å
336	I	98.7	Very high	98.7	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.138	24%	0.237	C	C	.	.			trans	-105.5	122.9	174.3	-63.1	173.1	0	0	0	109.2	M331 V334 I338 L526 R527	M331-I336 CarbonylContact C-O 3.38Å; M331-I336 HydrophobicContact CB-CB 4.25Å; M331-I336 WeakPolarHBondContact CB-O 3.18Å; M331-I336 HydrophobicContact CE-CB 4.07Å; M331-I336 HydrophobicContact CE-CD1 3.78Å; M331-I336 HydrophobicContact CE-CG1 4.47Å; M331-I336 HydrophobicContact CE-CG2 4.27Å; M331-I336 PolarHBondContact O-N 3.4Å; V334-I336 VanDerWaalsContact C-N 3.27Å; V334-I336 HydrophobicContact CG2-CB 4.47Å; V334-I336 HydrophobicContact CG2-CD1 3.96Å; V334-I336 HydrophobicContact CG2-CG1 4.15Å; V334-I336 PolarHBondContact O-N 2.89Å; I336-I338 HydrophobicContact CG2-CD1 3.79Å; I336-I338 HydrophobicContact CG2-CG1 4.46Å; I336-L526 HydrophobicContact CD1-CB 4.25Å; I336-L526 HydrophobicContact CG2-CD2 4.3Å; I336-R527 HydrophobicContact CD1-CG 4.33Å
337	S	98.4	Very high	98.7	Very high	98 Å²	98	43.9 Å²	43.9	69%	0.685	24%	0.243	S	C	*	.			trans	-89.5	138.5	172.7	-174.6	0	0	0	0	110.5
338	I	98.8	Very high	98.7	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	25%	0.245	C	C	.	.			trans	-122.1	138.1	-177.3	-58.1	-62.8	0	0	0	109.1	I217 L305 L324 T327 N328 M331 I336 E342 L526	I217-I338 HydrophobicContact CD1-CD1 4.16Å; L305-I338 HydrophobicContact CD1-CG2 3.46Å; L305-I338 VanDerWaalsContact CD1-CG2 3.46Å; L324-I338 HydrophobicContact CD1-CG2 4.43Å; L324-I338 WeakPolarHBondContact CD1-O 3.43Å; T327-I338 HydrophobicContact CG2-CB 4.36Å; T327-I338 HydrophobicContact CG2-CG1 4.13Å; T327-I338 HydrophobicContact CG2-CG2 4Å; N328-I338 PolarHBondContact ND2-O 3.34Å; N328-I338 PolarHBondContact OD1-N 2.91Å; N328-I338 PolarHBondContact OD1-O 3.24Å; M331-I338 HydrophobicContact CB-CG1 3.89Å; M331-I338 HydrophobicContact CG-CD1 4.23Å; M331-I338 HydrophobicContact CG-CG1 3.81Å; I336-I338 HydrophobicContact CG2-CD1 3.79Å; I336-I338 HydrophobicContact CG2-CG1 4.46Å; I338-E342 HydrophobicContact CD1-CG 4.36Å; I338-E342 HydrophobicContact CG2-CB 3.6Å; I338-E342 HydrophobicContact CG2-CG 3.79Å; I338-L526 HydrophobicContact CD1-CD2 3.85Å
339	T	98.6	Very high	98.7	Very high	73 Å²	73	44.1 Å²	44.1	45%	0.448	25%	0.248	S	C	.	.			trans	-110.3	173.9	176.2	73.5	0	0	0	0	111.1	L324 E341 E342	L324-T339 VanDerWaalsContact CD1-C 3.49Å; T339-E341 WeakPolarHBondContact CB-OE2 3.33Å; T339-E341 PolarHBondContact O-N 3.47Å; T339-E341 PolarHBondContact OG1-N 3.23Å; T339-E341 PolarHBondContact OG1-OE2 3.23Å; T339-E342 WeakPolarHBondContact O-CB 3.43Å; T339-E342 PolarHBondContact O-N 2.87Å
340	N	98.3	Very high	98.7	Very high	63 Å²	63	47.1 Å²	47.1	34%	0.337	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.6	179.7	-79.2	-37.3	0	0	0	113.1	L305 A306 L324 E342	L305-N340 PolarHBondContact N-O 2.95Å; A306-N340 HydrophobicContact CB-CB 4.18Å; A306-N340 PolarHBondContact N-O 3.29Å; L324-N340 WeakPolarHBondContact CD2-OD1 3.36Å; N340-E342 VanDerWaalsContact C-N 3.29Å
341	E	98.6	Very high	98.7	Very high	131 Å²	131	47.2 Å²	47.2	61%	0.612	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.7	179	-55.7	70.6	-147.9	0	0	112.3	T339 D343	T339-E341 WeakPolarHBondContact CB-OE2 3.33Å; T339-E341 PolarHBondContact O-N 3.47Å; T339-E341 PolarHBondContact OG1-N 3.23Å; T339-E341 PolarHBondContact OG1-OE2 3.23Å; E341-D343 PolarHBondContact O-N 2.82Å
342	E	98.8	Very high	98.7	Very high	24 Å²	24	47.3 Å²	47.3	11%	0.112	26%	0.262	C	S	.	.			trans	-60	128.6	175.9	-175.7	67.3	-162.1	0	0	110.9	I217 T304 L305 I338 T339 N340 R527	I217-E342 HydrophobicContact CD1-CG 4.3Å; T304-E342 CarbonylContact C-O 3.46Å; T304-E342 VanDerWaalsContact CA-O 3.27Å; T304-E342 WeakPolarHBondContact CA-O 3.45Å; L305-E342 HydrophobicContact CD1-CB 4Å; L305-E342 HydrophobicContact CG-CB 4.2Å; L305-E342 PolarHBondContact N-O 2.85Å; I338-E342 HydrophobicContact CD1-CG 4.36Å; I338-E342 HydrophobicContact CG2-CB 3.6Å; I338-E342 HydrophobicContact CG2-CG 3.79Å; T339-E342 WeakPolarHBondContact O-CB 3.43Å; T339-E342 PolarHBondContact O-N 2.87Å; N340-E342 VanDerWaalsContact C-N 3.29Å; E342-R527 IonicContact OE1-CZ 3.64Å; E342-R527 IonicContact OE1-NH1 3.72Å; E342-R527 PolarHBondContact OE1-NH1 2.9Å; E342-R527 IonicContact OE1-NH2 3.22Å; E342-R527 PolarHBondContact OE1-NH2 2.97Å; E342-R527 IonicContact OE2-CZ 2.82Å; E342-R527 IonicContact OE2-NH1 3.83Å; E342-R527 IonicContact OE2-NH2 3.78Å; E342-R527 PolarHBondContact OE2-NH2 2.96Å
343	D	98.8	Very high	98.7	Very high	67 Å²	67	48.3 Å²	48.3	36%	0.358	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.5	171.2	-84.7	-25.7	0	0	0	111	V216 K302 E341	V216-D343 VanDerWaalsContact CG2-O 3.29Å; V216-D343 WeakPolarHBondContact CG2-O 3.24Å; K302-D343 VanDerWaalsContact CE-CB 3.44Å; K302-D343 WeakPolarHBondContact CE-OD2 3.29Å; K302-D343 IonicContact NZ-OD2 2.96Å; K302-D343 PolarHBondContact NZ-OD2 3.36Å; E341-D343 PolarHBondContact O-N 2.82Å
344	V	98.9	Very high	98.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148	173.7	-57.2	0	0	0	0	110.6	I217 K302 M303 L305 L308 V346	I217-V344 HydrophobicContact CB-CG1 4.06Å; I217-V344 HydrophobicContact CG2-CG1 4.12Å; I217-V344 CarbonylContact O-C 3.59Å; I217-V344 WeakPolarHBondContact O-CA 3.49Å; K302-V344 WeakPolarHBondContact CA-O 3.27Å; M303-V344 HydrophobicContact CG-CG2 3.98Å; M303-V344 PolarHBondContact N-O 3.47Å; M303-V344 WeakPolarHBondContact O-CG2 3.31Å; M303-V344 PolarHBondContact O-N 2.86Å; M303-V344 VanDerWaalsContact O-O 3.08Å; L305-V344 HydrophobicContact CD2-CG1 3.66Å; L305-V344 HydrophobicContact CD2-CG2 4.38Å; L305-V344 HydrophobicContact CG-CG1 3.85Å; L308-V344 HydrophobicContact CD2-CG2 4.43Å; V344-V346 HydrophobicContact CG2-CG2 4.14Å
345	V	98.9	Very high	98.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120	172.5	178.1	0	0	0	0	108.9	V216 I217 H218 I219 Y300 K302 Y347	V216-V345 HydrophobicContact CG1-CB 4.46Å; V216-V345 HydrophobicContact CG1-CG2 3.7Å; V216-V345 HydrophobicContact CG2-CG2 4.25Å; I217-V345 PolarHBondContact O-N 3.06Å; H218-V345 CarbonylContact C-O 3.48Å; H218-V345 VanDerWaalsContact CA-O 3.29Å; H218-V345 WeakPolarHBondContact CA-O 3.35Å; I219-V345 PolarHBondContact N-O 3.03Å; Y300-V345 HydrophobicContact CD2-CG1 3.75Å; Y300-V345 HydrophobicContact CD2-CG2 4.32Å; Y300-V345 HydrophobicContact CE2-CB 4.47Å; Y300-V345 HydrophobicContact CE2-CG1 3.94Å; Y300-V345 HydrophobicContact CE2-CG2 3.63Å; Y300-V345 HydrophobicContact CG-CG1 4.28Å; K302-V345 HydrophobicContact CB-CG2 4.49Å; V345-Y347 HydrophobicContact CG1-CD1 3.87Å; V345-Y347 HydrophobicContact CG1-CE1 3.58Å
346	V	98.9	Very high	98.7	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	105	-178.2	-174.4	0	0	0	0	109.7	I219 N301 M303 L308 V344 P349 L352	I219-V346 CarbonylContact O-C 3.6Å; I219-V346 WeakPolarHBondContact O-CA 3.3Å; N301-V346 WeakPolarHBondContact CB-O 3.44Å; N301-V346 PolarHBondContact ND2-O 3.02Å; N301-V346 PolarHBondContact O-N 3.47Å; M303-V346 HydrophobicContact CE-CB 3.99Å; M303-V346 HydrophobicContact CE-CG2 3.74Å; M303-V346 HydrophobicContact CG-CG2 4.02Å; M303-V346 HydrophobicContact SD-CG2 3.8Å; L308-V346 HydrophobicContact CD1-CG2 3.64Å; V344-V346 HydrophobicContact CG2-CG2 4.14Å; V346-P349 HydrophobicContact CG1-CB 4.32Å; V346-L352 HydrophobicContact CG1-CD1 3.92Å
347	Y	98.8	Very high	98.7	Very high	32 Å²	32	47.2 Å²	47.2	13%	0.125	25%	0.253	C	S	.	.	S	Bend	trans	-80.6	-19.7	178.3	-68.9	-35.3	0	0	0	113.6	F204 D209 H218 I219 D220 L299 V345 P349	F204-Y347 HydrophobicContact CZ-CE2 4.1Å; D209-Y347 PolarHBondContact OD2-OH 2.75Å; H218-Y347 AromaticContact CD2-CE2 3.46Å; H218-Y347 VanDerWaalsContact CD2-CE2 3.46Å; H218-Y347 WeakPolarHBondContact CD2-CE2 3.12Å; H218-Y347 AromaticContact CD2-CZ 3.44Å; H218-Y347 VanDerWaalsContact CD2-CZ 3.44Å; H218-Y347 PolarHBondContact CD2-OH 3.26Å; H218-Y347 AromaticContact NE2-CZ 3.94Å; H218-Y347 PolarHBondContact NE2-OH 2.84Å; I219-Y347 PolarHBondContact O-N 2.73Å; D220-Y347 HydrophobicContact CB-CD2 4.32Å; L299-Y347 HydrophobicContact CB-CD1 4.45Å; L299-Y347 WeakPolarHBondContact CD1-O 3.41Å; L299-Y347 HydrophobicContact CD2-CD1 4.04Å; L299-Y347 HydrophobicContact CD2-CE1 4.48Å; L299-Y347 HydrophobicContact CD2-CG 4.19Å; L299-Y347 HydrophobicContact CG-CD1 3.72Å; L299-Y347 HydrophobicContact CG-CE1 4.46Å; L299-Y347 HydrophobicContact CG-CG 4.07Å; L299-Y347 WeakPolarHBondContact O-CD1 3.43Å; V345-Y347 HydrophobicContact CG1-CD1 3.87Å; V345-Y347 HydrophobicContact CG1-CE1 3.58Å; Y347-P349 VanDerWaalsContact C-CD 3.45Å
348	A	98.7	Very high	98.7	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.041	22%	0.223	C	C	.	.			trans	-129.1	59.7	-175.4	0	0	0	0	0	113.7	D220 Q221 E350 Y351 L352	D220-A348 WeakPolarHBondContact OD1-CB 3.43Å; Q221-A348 HydrophobicContact CB-CB 4.08Å; A348-E350 PolarHBondContact O-N 3.12Å; A348-Y351 HydrophobicContact CB-CD1 4.36Å; A348-Y351 HydrophobicContact CB-CG 4.37Å; A348-Y351 WeakPolarHBondContact O-CB 3.16Å; A348-Y351 PolarHBondContact O-N 2.91Å; A348-L352 WeakPolarHBondContact O-CG 3.44Å; A348-L352 PolarHBondContact O-N 3.11Å; A348-L352 VanDerWaalsContact O-N 3.12Å
349	P	98.7	Very high	98.7	Very high	36 Å²	36	43 Å²	43	23%	0.234	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-41.2	-179	25.3	-33.8	0	0	0	112.6	F312 V346 Y347 Y351 L352 T353	F312-P349 HydrophobicContact CE1-CB 3.83Å; F312-P349 VanDerWaalsContact CE1-O 3.24Å; F312-P349 WeakPolarHBondContact CE1-O 3.32Å; F312-P349 HydrophobicContact CZ-CB 3.52Å; V346-P349 HydrophobicContact CG1-CB 4.32Å; Y347-P349 VanDerWaalsContact C-CD 3.45Å; P349-Y351 VanDerWaalsContact C-N 3.33Å; P349-Y351 PolarHBondContact O-N 3.27Å; P349-L352 PolarHBondContact O-N 3.42Å; P349-T353 PolarHBondContact O-N 3.41Å; P349-T353 VanDerWaalsContact O-N 3.08Å; P349-T353 PolarHBondContact O-OG1 3.17Å
350	E	98.7	Very high	98.7	Very high	125 Å²	125	43 Å²	43	58%	0.584	22%	0.223	S	C	*	.	H	α-helix	trans	-64.1	-38.4	176.4	-75.2	-165.6	-150.5	0	0	112.8	A348 T353 K354	A348-E350 PolarHBondContact O-N 3.12Å; E350-T353 WeakPolarHBondContact O-CB 3.31Å; E350-T353 PolarHBondContact O-N 3.35Å; E350-K354 WeakPolarHBondContact O-CB 3.45Å; E350-K354 WeakPolarHBondContact O-CG 3.37Å; E350-K354 PolarHBondContact O-N 3.48Å; E350-K354 IonicContact OE2-NZ 2.96Å; E350-K354 PolarHBondContact OE2-NZ 2.75Å
351	Y	98.9	Very high	98.7	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-60.3	-49.8	175.9	168.4	-106.4	0	0	0	110.4	L200 Q221 P222 I283 A286 T287 A348 P349 T353 K354 L355	L200-Y351 WeakPolarHBondContact O-CE1 3.22Å; L200-Y351 PolarHBondContact O-OH 2.82Å; Q221-Y351 HydrophobicContact CB-CD1 3.85Å; Q221-Y351 HydrophobicContact CB-CD2 4.16Å; Q221-Y351 HydrophobicContact CB-CE1 4.19Å; Q221-Y351 HydrophobicContact CB-CE2 4.48Å; Q221-Y351 HydrophobicContact CB-CG 3.83Å; P222-Y351 VanDerWaalsContact CD-CZ 3.49Å; P222-Y351 WeakPolarHBondContact CD-OH 3.43Å; I283-Y351 HydrophobicContact CG2-CE2 4.26Å; A286-Y351 HydrophobicContact CB-CD2 3.91Å; A286-Y351 HydrophobicContact CB-CE2 4.06Å; T287-Y351 HydrophobicContact CG2-CD2 4.32Å; T287-Y351 HydrophobicContact CG2-CE2 4.22Å; A348-Y351 HydrophobicContact CB-CD1 4.36Å; A348-Y351 HydrophobicContact CB-CG 4.37Å; A348-Y351 WeakPolarHBondContact O-CB 3.16Å; A348-Y351 PolarHBondContact O-N 2.91Å; P349-Y351 VanDerWaalsContact C-N 3.33Å; P349-Y351 PolarHBondContact O-N 3.27Å; Y351-T353 PolarHBondContact O-N 3.07Å; Y351-K354 CarbonylContact O-C 3.6Å; Y351-K354 PolarHBondContact O-N 3.29Å; Y351-K354 VanDerWaalsContact O-N 3.11Å; Y351-L355 HydrophobicContact CE1-CD2 3.85Å; Y351-L355 HydrophobicContact CE2-CD1 4.3Å; Y351-L355 VanDerWaalsContact O-CB 3.25Å; Y351-L355 WeakPolarHBondContact O-CB 3.45Å; Y351-L355 PolarHBondContact O-N 2.89Å
352	L	98.9	Very high	98.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-35.6	178.3	-63.6	-178	0	0	0	112	I219 L308 F312 W323 V346 A348 P349 L355 K356	I219-L352 HydrophobicContact CG2-CD1 4.06Å; I219-L352 HydrophobicContact CG2-CD2 4.49Å; L308-L352 HydrophobicContact CD1-CD1 4.11Å; F312-L352 HydrophobicContact CB-CB 4.1Å; F312-L352 HydrophobicContact CB-CD1 4.3Å; F312-L352 HydrophobicContact CD1-CB 3.81Å; F312-L352 HydrophobicContact CD2-CD1 4.36Å; F312-L352 HydrophobicContact CG-CB 4.05Å; F312-L352 HydrophobicContact CG-CD1 4.14Å; W323-L352 HydrophobicContact CH2-CD1 3.88Å; W323-L352 HydrophobicContact CH2-CD2 3.8Å; W323-L352 HydrophobicContact CH2-CG 4.47Å; W323-L352 HydrophobicContact CZ2-CD1 4.07Å; W323-L352 HydrophobicContact CZ2-CD2 4.25Å; V346-L352 HydrophobicContact CG1-CD1 3.92Å; A348-L352 WeakPolarHBondContact O-CG 3.44Å; A348-L352 PolarHBondContact O-N 3.11Å; A348-L352 VanDerWaalsContact O-N 3.12Å; P349-L352 PolarHBondContact O-N 3.42Å; L352-L355 PolarHBondContact O-N 2.75Å; L352-K356 PolarHBondContact O-N 3.31Å
353	T	98.8	Very high	98.7	Very high	81 Å²	81	41.7 Å²	41.7	50%	0.497	22%	0.217	S	C	.	.	H	α-helix	trans	-65.6	-47.9	174.8	-56.5	0	0	0	0	111.7	P349 E350 Y351 L355 K356 P357	P349-T353 PolarHBondContact O-N 3.41Å; P349-T353 VanDerWaalsContact O-N 3.08Å; P349-T353 PolarHBondContact O-OG1 3.17Å; E350-T353 WeakPolarHBondContact O-CB 3.31Å; E350-T353 PolarHBondContact O-N 3.35Å; Y351-T353 PolarHBondContact O-N 3.07Å; T353-L355 VanDerWaalsContact C-N 3.26Å; T353-L355 PolarHBondContact O-N 2.97Å; T353-K356 PolarHBondContact O-N 2.87Å; T353-P357 WeakPolarHBondContact O-CD 3.43Å
354	K	98.8	Very high	98.7	Very high	87 Å²	87	38.8 Å²	38.8	38%	0.378	20%	0.202	S	C	.	.	H	α-helix	trans	-67.6	-27.2	178.1	-70.2	167.4	-169.6	160.5	0	112.1	A286 E350 Y351 P357 I358	A286-K354 HydrophobicContact CB-CB 3.79Å; E350-K354 WeakPolarHBondContact O-CB 3.45Å; E350-K354 WeakPolarHBondContact O-CG 3.37Å; E350-K354 PolarHBondContact O-N 3.48Å; E350-K354 IonicContact OE2-NZ 2.96Å; E350-K354 PolarHBondContact OE2-NZ 2.75Å; Y351-K354 CarbonylContact O-C 3.6Å; Y351-K354 PolarHBondContact O-N 3.29Å; Y351-K354 VanDerWaalsContact O-N 3.11Å; K354-P357 VanDerWaalsContact O-CD 3.31Å; K354-P357 WeakPolarHBondContact O-CD 3.46Å; K354-P357 WeakPolarHBondContact O-CG 3.37Å; K354-I358 VanDerWaalsContact O-CD1 3.31Å; K354-I358 WeakPolarHBondContact O-CD1 3.24Å; K354-I358 WeakPolarHBondContact O-CG1 3.38Å
355	L	98.7	Very high	98.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69.9	-32.8	-179.6	-168.1	63.2	0	0	0	112.5	I201 I283 L314 Y351 L352 T353 I358 L359	I201-L355 HydrophobicContact CG1-CD2 4.21Å; I283-L355 HydrophobicContact CG1-CD1 4.42Å; L314-L355 HydrophobicContact CD1-CD2 4.36Å; L314-L355 HydrophobicContact CD2-CB 4.35Å; Y351-L355 HydrophobicContact CE1-CD2 3.85Å; Y351-L355 HydrophobicContact CE2-CD1 4.3Å; Y351-L355 VanDerWaalsContact O-CB 3.25Å; Y351-L355 WeakPolarHBondContact O-CB 3.45Å; Y351-L355 PolarHBondContact O-N 2.89Å; L352-L355 PolarHBondContact O-N 2.75Å; T353-L355 VanDerWaalsContact C-N 3.26Å; T353-L355 PolarHBondContact O-N 2.97Å; L355-I358 WeakPolarHBondContact O-CB 3.22Å; L355-I358 PolarHBondContact O-N 3.4Å; L355-I358 VanDerWaalsContact O-N 3.11Å; L355-L359 HydrophobicContact CD1-CD1 4.09Å; L355-L359 HydrophobicContact CD1-CD2 3.96Å; L355-L359 HydrophobicContact CD1-CG 3.87Å; L355-L359 HydrophobicContact CD2-CD1 3.9Å; L355-L359 HydrophobicContact CG-CD1 3.62Å; L355-L359 HydrophobicContact CG-CD2 4.4Å; L355-L359 HydrophobicContact CG-CG 3.81Å; L355-L359 WeakPolarHBondContact O-CG 3.46Å; L355-L359 PolarHBondContact O-N 3.19Å
356	K	98.3	Very high	98.7	Very high	89 Å²	89	41.8 Å²	41.8	39%	0.387	22%	0.215	S	C	.	.	H	α-helix	trans	-50.9	-58.8	179.9	-179.7	-177.5	-171	162.3	0	113.8	S313 L314 L352 T353 I358 T360	S313-K356 WeakPolarHBondContact O-CD 3.24Å; S313-K356 WeakPolarHBondContact O-CE 3.32Å; S313-K356 WeakPolarHBondContact O-CG 3.43Å; S313-K356 PolarHBondContact OG-NZ 3.01Å; L314-K356 HydrophobicContact CD2-CB 3.88Å; L352-K356 PolarHBondContact O-N 3.31Å; T353-K356 PolarHBondContact O-N 2.87Å; K356-I358 PolarHBondContact O-N 3.38Å; K356-T360 WeakPolarHBondContact O-CG2 3.27Å
357	P	98.4	Very high	98.7	Very high	72 Å²	72	41.8 Å²	41.8	47%	0.468	22%	0.215	S	C	.	.	H	α-helix	trans	-72.1	-14.4	179.9	30.4	-38.6	0	0	0	113.8	T353 K354 T360 K361	T353-P357 WeakPolarHBondContact O-CD 3.43Å; K354-P357 VanDerWaalsContact O-CD 3.31Å; K354-P357 WeakPolarHBondContact O-CD 3.46Å; K354-P357 WeakPolarHBondContact O-CG 3.37Å; P357-T360 PolarHBondContact O-OG1 3.14Å; P357-K361 VanDerWaalsContact O-CE 3.27Å; P357-K361 WeakPolarHBondContact O-CE 3.45Å
358	I	98.8	Very high	98.7	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.072	21%	0.209	C	C	.	.	H	α-helix	trans	-75.3	-55.3	175.8	-64.6	169.2	0	0	0	108.6	L279 E282 A286 K354 L355 K356 T360 K361 Y362	L279-I358 HydrophobicContact CD1-CG2 4.31Å; E282-I358 HydrophobicContact CB-CD1 4.12Å; E282-I358 HydrophobicContact CB-CG1 4.27Å; E282-I358 HydrophobicContact CB-CG2 3.83Å; E282-I358 WeakPolarHBondContact O-CD1 3.48Å; A286-I358 HydrophobicContact CB-CD1 3.75Å; K354-I358 VanDerWaalsContact O-CD1 3.31Å; K354-I358 WeakPolarHBondContact O-CD1 3.24Å; K354-I358 WeakPolarHBondContact O-CG1 3.38Å; L355-I358 WeakPolarHBondContact O-CB 3.22Å; L355-I358 PolarHBondContact O-N 3.4Å; L355-I358 VanDerWaalsContact O-N 3.11Å; K356-I358 PolarHBondContact O-N 3.38Å; I358-T360 PolarHBondContact O-N 3.08Å; I358-K361 WeakPolarHBondContact O-CB 3.45Å; I358-K361 PolarHBondContact O-N 3.39Å; I358-K361 VanDerWaalsContact O-N 3.07Å; I358-Y362 HydrophobicContact CG2-CD2 4.42Å; I358-Y362 HydrophobicContact CG2-CE2 4.08Å; I358-Y362 VanDerWaalsContact O-CD2 3.24Å; I358-Y362 WeakPolarHBondContact O-CD2 3.38Å
359	L	98.3	Very high	98.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-67.2	-21.2	-171.2	-60.4	-178.2	0	0	0	114.1	L314 I316 L355 K361 Y362 L367	L314-L359 HydrophobicContact CD1-CD1 4.48Å; I316-L359 HydrophobicContact CD1-CD1 3.57Å; I316-L359 HydrophobicContact CG1-CB 4.11Å; I316-L359 HydrophobicContact CG1-CD1 3.83Å; L355-L359 HydrophobicContact CD1-CD1 4.09Å; L355-L359 HydrophobicContact CD1-CD2 3.96Å; L355-L359 HydrophobicContact CD1-CG 3.87Å; L355-L359 HydrophobicContact CD2-CD1 3.9Å; L355-L359 HydrophobicContact CG-CD1 3.62Å; L355-L359 HydrophobicContact CG-CD2 4.4Å; L355-L359 HydrophobicContact CG-CG 3.81Å; L355-L359 WeakPolarHBondContact O-CG 3.46Å; L355-L359 PolarHBondContact O-N 3.19Å; L359-K361 PolarHBondContact O-N 2.95Å; L359-Y362 PolarHBondContact O-N 2.9Å; L359-L367 HydrophobicContact CD2-CD2 3.71Å
360	T	98.2	Very high	98.7	Very high	74 Å²	74	38.7 Å²	38.7	45%	0.454	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.5	175	56	0	0	0	0	113.3	E315 K356 P357 I358	E315-T360 HydrophobicContact CB-CG2 4.03Å; K356-T360 WeakPolarHBondContact O-CG2 3.27Å; P357-T360 PolarHBondContact O-OG1 3.14Å; I358-T360 PolarHBondContact O-N 3.08Å
361	K	98.4	Very high	98.7	Very high	130 Å²	130	32.7 Å²	32.7	57%	0.565	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-18	179.8	-56.2	173.3	-170.8	172.1	0	113.3	E282 P357 I358 L359	E282-K361 IonicContact OE1-NZ 3.75Å; E282-K361 IonicContact OE2-NZ 2.92Å; E282-K361 PolarHBondContact OE2-NZ 2.88Å; P357-K361 VanDerWaalsContact O-CE 3.27Å; P357-K361 WeakPolarHBondContact O-CE 3.45Å; I358-K361 WeakPolarHBondContact O-CB 3.45Å; I358-K361 PolarHBondContact O-N 3.39Å; I358-K361 VanDerWaalsContact O-N 3.07Å; L359-K361 PolarHBondContact O-N 2.95Å
362	Y	98.8	Very high	98.7	Very high	13 Å²	13	32.6 Å²	32.6	5%	0.051	17%	0.169	C	C	.	.	S	Bend	trans	-112.9	141.3	-168.7	-66.5	-85.5	0	0	0	111.4	L279 E282 I358 L359 D366	L279-Y362 WeakPolarHBondContact CA-OH 3.12Å; L279-Y362 HydrophobicContact CB-CD1 4.17Å; L279-Y362 HydrophobicContact CB-CE1 3.67Å; L279-Y362 HydrophobicContact CB-CE2 4.48Å; L279-Y362 HydrophobicContact CD1-CD1 4.14Å; L279-Y362 HydrophobicContact CD1-CD2 3.59Å; L279-Y362 HydrophobicContact CD1-CE1 4.12Å; L279-Y362 HydrophobicContact CD1-CE2 3.6Å; L279-Y362 HydrophobicContact CD1-CG 3.87Å; L279-Y362 HydrophobicContact CD2-CD1 4.48Å; L279-Y362 HydrophobicContact CG-CD1 4.48Å; L279-Y362 HydrophobicContact CG-CE1 4.37Å; E282-Y362 WeakPolarHBondContact OE1-CE2 3.32Å; E282-Y362 PolarHBondContact OE1-OH 3.27Å; I358-Y362 HydrophobicContact CG2-CD2 4.42Å; I358-Y362 HydrophobicContact CG2-CE2 4.08Å; I358-Y362 VanDerWaalsContact O-CD2 3.24Å; I358-Y362 WeakPolarHBondContact O-CD2 3.38Å; L359-Y362 PolarHBondContact O-N 2.9Å; Y362-D366 HydrophobicContact CD1-CB 3.85Å; Y362-D366 HydrophobicContact CG-CB 4.42Å
363	S	98.8	Very high	98.7	Very high	47 Å²	47	32.6 Å²	32.6	33%	0.329	17%	0.169	S	C	.	.			trans	-79	165.9	175.7	67.3	0	0	0	0	111.8	R365 D366 L367	S363-R365 PolarHBondContact O-N 2.78Å; S363-R365 PolarHBondContact OG-N 3.21Å; S363-D366 WeakPolarHBondContact CB-OD2 3.38Å; S363-D366 PolarHBondContact N-OD2 3.42Å; S363-D366 PolarHBondContact O-N 3.38Å; S363-D366 VanDerWaalsContact O-N 3.12Å; S363-D366 PolarHBondContact OG-N 3Å; S363-D366 PolarHBondContact OG-OD2 2.84Å; S363-L367 WeakPolarHBondContact O-CG 3.49Å; S363-L367 PolarHBondContact O-N 3.43Å; S363-L367 VanDerWaalsContact O-N 3.11Å
364	A	98.8	Very high	98.7	Very high	5 Å²	5	29.6 Å²	29.6	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-50.9	-38	168.9	0	0	0	0	0	112.9	W174 W182 N317 Q368	W174-A364 HydrophobicContact CH2-CB 4.03Å; W174-A364 HydrophobicContact CZ3-CB 4.2Å; W182-A364 HydrophobicContact CD2-CB 3.62Å; W182-A364 HydrophobicContact CE3-CB 3.35Å; W182-A364 HydrophobicContact CG-CB 4.24Å; W182-A364 HydrophobicContact CH2-CB 4.14Å; W182-A364 HydrophobicContact CZ2-CB 4.37Å; W182-A364 HydrophobicContact CZ3-CB 3.65Å; N317-A364 HydrophobicContact CB-CB 4.27Å; N317-A364 PolarHBondContact OD1-N 3Å; A364-Q368 VanDerWaalsContact O-CB 3.32Å; A364-Q368 WeakPolarHBondContact O-CB 3.43Å; A364-Q368 PolarHBondContact O-N 2.73Å
365	R	98.9	Very high	98.7	Very high	46 Å²	46	25.7 Å²	25.7	17%	0.174	13%	0.132	C	C	.	.	H	α-helix	trans	-62.9	-48.2	177.6	-169.4	-162.4	179.2	75.8	4.6	111.5	P168 W174 E175 E272 S363 L367 Q368 N369	P168-R365 HydrophobicContact CB-CG 3.49Å; P168-R365 VanDerWaalsContact CB-CG 3.49Å; P168-R365 HydrophobicContact CG-CG 3.93Å; P168-R365 PolarHBondContact O-NH2 3.32Å; W174-R365 HydrophobicContact CE3-CB 4.12Å; W174-R365 HydrophobicContact CE3-CG 4.19Å; W174-R365 HydrophobicContact CZ3-CB 4.01Å; E175-R365 VanDerWaalsContact OE1-CD 3.26Å; E175-R365 WeakPolarHBondContact OE1-CD 3.47Å; E175-R365 IonicContact OE1-CZ 3.06Å; E175-R365 IonicContact OE1-NE 2.83Å; E175-R365 IonicContact OE1-NH1 3.42Å; E175-R365 PolarHBondContact OE1-NH1 3.42Å; E175-R365 IonicContact OE2-NH1 3.83Å; E175-R365 PolarHBondContact OE2-NH1 3.21Å; E272-R365 IonicContact OE1-CZ 2.69Å; E272-R365 IonicContact OE1-NE 3.47Å; E272-R365 IonicContact OE1-NH2 2.62Å; E272-R365 PolarHBondContact OE1-NH2 3.02Å; E272-R365 IonicContact OE2-CZ 2.8Å; E272-R365 IonicContact OE2-NE 2.85Å; E272-R365 PolarHBondContact OE2-NE 3.05Å; E272-R365 IonicContact OE2-NH2 3.17Å; E272-R365 PolarHBondContact OE2-NH2 2.99Å; S363-R365 PolarHBondContact O-N 2.78Å; S363-R365 PolarHBondContact OG-N 3.21Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 3.26Å; R365-Q368 PolarHBondContact O-N 3.37Å; R365-N369 WeakPolarHBondContact O-CB 3.5Å; R365-N369 PolarHBondContact O-N 2.96Å
366	D	98.9	Very high	98.7	Very high	17 Å²	17	25.7 Å²	25.7	9%	0.091	13%	0.132	C	C	.	.	H	α-helix	trans	-63.1	-43.8	-177.5	-57.3	-46.7	0	0	0	111.2	K275 Y362 S363 N369 L370	K275-D366 WeakPolarHBondContact CD-OD1 3.16Å; K275-D366 VanDerWaalsContact CE-CG 3.48Å; K275-D366 WeakPolarHBondContact CE-OD1 3.37Å; K275-D366 IonicContact NZ-OD1 3.94Å; K275-D366 PolarHBondContact NZ-OD1 2.93Å; K275-D366 IonicContact NZ-OD2 3.47Å; K275-D366 PolarHBondContact NZ-OD2 3.23Å; Y362-D366 HydrophobicContact CD1-CB 3.85Å; Y362-D366 HydrophobicContact CG-CB 4.42Å; S363-D366 WeakPolarHBondContact CB-OD2 3.38Å; S363-D366 PolarHBondContact N-OD2 3.42Å; S363-D366 PolarHBondContact O-N 3.38Å; S363-D366 VanDerWaalsContact O-N 3.12Å; S363-D366 PolarHBondContact OG-N 3Å; S363-D366 PolarHBondContact OG-OD2 2.84Å; D366-N369 PolarHBondContact O-N 3.31Å; D366-L370 PolarHBondContact O-N 3.5Å
367	L	98.9	Very high	98.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.9	-47.4	178.2	-62.1	173.3	0	0	0	111.2	W182 L200 L279 I316 L359 S363 R365 N369 L370 M371	W182-L367 HydrophobicContact CH2-CD1 4.02Å; W182-L367 HydrophobicContact CZ2-CB 4.42Å; L200-L367 HydrophobicContact CD1-CD2 4.27Å; L279-L367 HydrophobicContact CD1-CD2 4.18Å; L279-L367 HydrophobicContact CD2-CD2 3.84Å; I316-L367 HydrophobicContact CG2-CD1 3.29Å; L359-L367 HydrophobicContact CD2-CD2 3.71Å; S363-L367 WeakPolarHBondContact O-CG 3.49Å; S363-L367 PolarHBondContact O-N 3.43Å; S363-L367 VanDerWaalsContact O-N 3.11Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-L367 PolarHBondContact O-N 3.26Å; L367-N369 VanDerWaalsContact C-N 3.28Å; L367-N369 PolarHBondContact O-N 3.21Å; L367-L370 PolarHBondContact O-N 3.15Å; L367-M371 HydrophobicContact CB-SD 4.46Å; L367-M371 WeakPolarHBondContact O-CB 3.34Å; L367-M371 WeakPolarHBondContact O-CG 3.35Å; L367-M371 PolarHBondContact O-N 3.07Å
368	Q	98.9	Very high	98.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.8	-33.2	179.2	-167.4	66	54.2	0	0	112.2	I164 P168 W174 A364 R365 L370 M371 S372	I164-Q368 PolarHBondContact O-NE2 3.49Å; P168-Q368 HydrophobicContact CG-CB 3.94Å; P168-Q368 HydrophobicContact CG-CG 4.22Å; W174-Q368 HydrophobicContact CH2-CB 4.17Å; W174-Q368 HydrophobicContact CZ2-CB 3.73Å; W174-Q368 HydrophobicContact CZ2-CG 3.75Å; A364-Q368 VanDerWaalsContact O-CB 3.32Å; A364-Q368 WeakPolarHBondContact O-CB 3.43Å; A364-Q368 PolarHBondContact O-N 2.73Å; R365-Q368 PolarHBondContact O-N 3.37Å; Q368-L370 VanDerWaalsContact C-N 3.34Å; Q368-L370 PolarHBondContact O-N 3.47Å; Q368-M371 PolarHBondContact O-N 3.38Å; Q368-S372 PolarHBondContact NE2-OG 2.9Å; Q368-S372 WeakPolarHBondContact O-CB 3.3Å; Q368-S372 PolarHBondContact O-N 3.36Å; Q368-S372 PolarHBondContact O-OG 3.5Å
369	N	98.9	Very high	98.8	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.011	11%	0.109	C	C	.	.	H	α-helix	trans	-59	-44.2	174.2	-95.7	-28.8	0	0	0	111.7	W167 P168 V169 E272 M273 V276 R365 D366 L367 W373	W167-N369 PolarHBondContact NE1-O 2.89Å; P168-N369 WeakPolarHBondContact CB-OD1 3.24Å; P168-N369 VanDerWaalsContact CD-OD1 3.26Å; P168-N369 WeakPolarHBondContact CD-OD1 3.39Å; P168-N369 HydrophobicContact CG-CB 4.43Å; P168-N369 WeakPolarHBondContact CG-OD1 3.33Å; V169-N369 PolarHBondContact N-OD1 3.22Å; E272-N369 PolarHBondContact OE2-ND2 3.16Å; M273-N369 HydrophobicContact CE-CB 4.37Å; V276-N369 HydrophobicContact CG2-CB 3.58Å; R365-N369 WeakPolarHBondContact O-CB 3.5Å; R365-N369 PolarHBondContact O-N 2.96Å; D366-N369 PolarHBondContact O-N 3.31Å; L367-N369 VanDerWaalsContact C-N 3.28Å; L367-N369 PolarHBondContact O-N 3.21Å; N369-W373 WeakPolarHBondContact O-CB 3.45Å; N369-W373 PolarHBondContact O-N 2.95Å
370	L	98.9	Very high	98.8	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.031	11%	0.109	C	C	.	.	H	α-helix	trans	-67.8	-50.1	172.6	175.1	60.8	0	0	0	111.5	L200 V276 L279 E280 I283 D366 L367 Q368 S372 W373 R374	L200-L370 HydrophobicContact CD2-CD2 4.29Å; V276-L370 HydrophobicContact CG1-CB 3.98Å; V276-L370 HydrophobicContact CG1-CD1 3.72Å; V276-L370 HydrophobicContact CG1-CG 4.44Å; L279-L370 HydrophobicContact CD2-CB 3.89Å; L279-L370 HydrophobicContact CD2-CD2 3.69Å; L279-L370 HydrophobicContact CD2-CG 4.45Å; L279-L370 HydrophobicContact CG-CD2 3.83Å; E280-L370 HydrophobicContact CB-CD1 4.07Å; E280-L370 HydrophobicContact CB-CD2 4.21Å; E280-L370 HydrophobicContact CG-CD1 4.11Å; E280-L370 HydrophobicContact CG-CD2 4.36Å; I283-L370 HydrophobicContact CD1-CD2 3.66Å; D366-L370 PolarHBondContact O-N 3.5Å; L367-L370 PolarHBondContact O-N 3.15Å; Q368-L370 VanDerWaalsContact C-N 3.34Å; Q368-L370 PolarHBondContact O-N 3.47Å; L370-S372 PolarHBondContact O-N 3.05Å; L370-W373 WeakPolarHBondContact O-CB 3.29Å; L370-W373 PolarHBondContact O-N 2.95Å; L370-R374 HydrophobicContact CD1-CG 3.76Å; L370-R374 HydrophobicContact CG-CG 4.27Å; L370-R374 VanDerWaalsContact O-CG 3.24Å; L370-R374 WeakPolarHBondContact O-CG 3.48Å; L370-R374 PolarHBondContact O-N 2.91Å
371	M	98.9	Very high	98.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.6	-48.7	-173.8	-70.5	169.8	55.2	0	0	112.5	A187 I188 L191 V199 L200 L367 Q368 R374	A187-M371 VanDerWaalsContact C-CE 3.42Å; A187-M371 HydrophobicContact CB-CE 3.71Å; A187-M371 WeakPolarHBondContact O-CE 3.15Å; I188-M371 HydrophobicContact CB-CE 4.27Å; I188-M371 HydrophobicContact CG1-CE 3.6Å; I188-M371 HydrophobicContact CG1-SD 4.11Å; L191-M371 HydrophobicContact CD1-CB 3.84Å; L191-M371 HydrophobicContact CD1-CE 4Å; V199-M371 HydrophobicContact CB-CG 4.17Å; V199-M371 HydrophobicContact CG2-CB 3.97Å; V199-M371 HydrophobicContact CG2-CE 4.04Å; V199-M371 HydrophobicContact CG2-CG 3.68Å; L200-M371 HydrophobicContact CD1-CG 4.1Å; L200-M371 HydrophobicContact CD1-SD 3.72Å; L200-M371 HydrophobicContact CG-CG 4.19Å; L200-M371 HydrophobicContact CG-SD 4.4Å; L367-M371 HydrophobicContact CB-SD 4.46Å; L367-M371 WeakPolarHBondContact O-CB 3.34Å; L367-M371 WeakPolarHBondContact O-CG 3.35Å; L367-M371 PolarHBondContact O-N 3.07Å; Q368-M371 PolarHBondContact O-N 3.38Å; M371-R374 PolarHBondContact O-N 2.77Å
372	S	98.9	Very high	98.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-67.7	-42.4	177.4	-63	0	0	0	0	111.3	G166 Q368 L370 R374 F375 I376	G166-S372 PolarHBondContact O-OG 2.82Å; Q368-S372 PolarHBondContact NE2-OG 2.9Å; Q368-S372 WeakPolarHBondContact O-CB 3.3Å; Q368-S372 PolarHBondContact O-N 3.36Å; Q368-S372 PolarHBondContact O-OG 3.5Å; L370-S372 PolarHBondContact O-N 3.05Å; S372-R374 VanDerWaalsContact C-N 3.29Å; S372-R374 PolarHBondContact O-N 3.42Å; S372-F375 PolarHBondContact O-N 2.96Å; S372-F375 VanDerWaalsContact O-N 3.07Å; S372-I376 WeakPolarHBondContact O-CB 3.24Å; S372-I376 WeakPolarHBondContact O-CD1 3.33Å; S372-I376 WeakPolarHBondContact O-CG1 3.47Å; S372-I376 PolarHBondContact O-N 3.27Å
373	W	98.9	Very high	98.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-53.8	-47	176.1	164.3	-116.6	0	0	0	112	W167 Y245 F248 M249 V252 N369 L370 F375 I376 M377	W167-W373 AromaticContact CH2-CE3 3.78Å; W167-W373 HydrophobicContact CH2-CE3 3.78Å; W167-W373 HydrophobicContact CH2-CZ3 4.23Å; W167-W373 HydrophobicContact CZ2-CB 3.99Å; W167-W373 HydrophobicContact CZ2-CD2 4.36Å; W167-W373 AromaticContact CZ2-CE3 3.75Å; W167-W373 HydrophobicContact CZ2-CE3 3.75Å; W167-W373 HydrophobicContact CZ2-CG 4.48Å; Y245-W373 HydrophobicContact CD2-CZ2 4.19Å; Y245-W373 AromaticContact CE2-CE2 3.85Å; Y245-W373 AromaticContact CE2-CZ2 3.83Å; Y245-W373 HydrophobicContact CE2-CZ2 3.83Å; Y245-W373 AromaticContact CE2-NE1 3.26Å; Y245-W373 VanDerWaalsContact CE2-NE1 3.26Å; Y245-W373 AromaticContact CZ-NE1 3.3Å; Y245-W373 VanDerWaalsContact CZ-NE1 3.3Å; Y245-W373 PolarHBondContact OH-NE1 3.33Å; F248-W373 HydrophobicContact CB-CH2 4.29Å; F248-W373 AromaticContact CD1-CH2 3.37Å; F248-W373 HydrophobicContact CD1-CH2 3.37Å; F248-W373 AromaticContact CD1-CZ2 3.58Å; F248-W373 HydrophobicContact CD1-CZ2 3.58Å; F248-W373 AromaticContact CD2-CH2 3.9Å; F248-W373 HydrophobicContact CD2-CH2 3.9Å; F248-W373 AromaticContact CE1-CH2 3.44Å; F248-W373 HydrophobicContact CE1-CH2 3.44Å; F248-W373 VanDerWaalsContact CE1-CH2 3.44Å; F248-W373 AromaticContact CE1-CZ2 3.8Å; F248-W373 HydrophobicContact CE1-CZ2 3.8Å; F248-W373 AromaticContact CE2-CH2 3.95Å; F248-W373 HydrophobicContact CE2-CH2 3.95Å; F248-W373 AromaticContact CG-CH2 3.59Å; F248-W373 HydrophobicContact CG-CH2 3.59Å; F248-W373 HydrophobicContact CG-CZ2 4.12Å; F248-W373 AromaticContact CZ-CH2 3.71Å; F248-W373 HydrophobicContact CZ-CH2 3.71Å; F248-W373 HydrophobicContact CZ-CZ2 4.49Å; F248-W373 HydrophobicContact CZ-CZ3 4.43Å; M249-W373 HydrophobicContact CB-CD2 4.37Å; M249-W373 HydrophobicContact CB-CE3 4.45Å; M249-W373 HydrophobicContact CB-CH2 4.32Å; M249-W373 HydrophobicContact CB-CZ2 4.27Å; M249-W373 HydrophobicContact CB-CZ3 4.44Å; M249-W373 HydrophobicContact CE-CG 4.46Å; M249-W373 VanDerWaalsContact CE-NE1 3.27Å; M249-W373 HydrophobicContact CG-CD2 3.58Å; M249-W373 HydrophobicContact CG-CE3 4.11Å; M249-W373 HydrophobicContact CG-CG 4.02Å; M249-W373 HydrophobicContact CG-CH2 3.97Å; M249-W373 HydrophobicContact CG-CZ2 3.44Å; M249-W373 VanDerWaalsContact CG-CZ2 3.44Å; M249-W373 HydrophobicContact CG-CZ3 4.3Å; V252-W373 HydrophobicContact CB-CZ3 4.12Å; V252-W373 HydrophobicContact CG2-CH2 4.49Å; V252-W373 HydrophobicContact CG2-CZ3 4.09Å; N369-W373 WeakPolarHBondContact O-CB 3.45Å; N369-W373 PolarHBondContact O-N 2.95Å; L370-W373 WeakPolarHBondContact O-CB 3.29Å; L370-W373 PolarHBondContact O-N 2.95Å; W373-F375 PolarHBondContact O-N 2.92Å; W373-F375 VanDerWaalsContact O-N 3.14Å; W373-I376 HydrophobicContact CE3-CG2 4.43Å; W373-I376 PolarHBondContact O-N 2.87Å; W373-I376 VanDerWaalsContact O-N 3.14Å; W373-M377 HydrophobicContact CD2-CB 4.18Å; W373-M377 HydrophobicContact CE3-CB 4.19Å; W373-M377 HydrophobicContact CH2-CB 3.69Å; W373-M377 HydrophobicContact CZ2-CB 3.64Å; W373-M377 HydrophobicContact CZ2-CG 4.46Å; W373-M377 HydrophobicContact CZ2-SD 4.13Å; W373-M377 HydrophobicContact CZ3-CB 3.95Å; W373-M377 WeakPolarHBondContact O-CB 3.49Å; W373-M377 WeakPolarHBondContact O-CG 3.44Å; W373-M377 PolarHBondContact O-N 2.96Å
374	R	98.9	Very high	98.7	Very high	18 Å²	18	12.4 Å²	12.4	7%	0.068	7%	0.068	C	C	.	.	H	α-helix	trans	-58	-31.9	-178.9	-69.6	-65.7	-68.3	116.9	-0.8	112.3	K197 V199 R223 L224 E280 L370 M371 S372 M377	K197-R374 WeakPolarHBondContact CE-O 3.34Å; K197-R374 PolarHBondContact NZ-O 2.58Å; V199-R374 HydrophobicContact CG1-CB 3.79Å; V199-R374 HydrophobicContact CG1-CG 4.27Å; R223-R374 PolarHBondContact O-NH2 3.42Å; L224-R374 VanDerWaalsContact C-CZ 3.5Å; L224-R374 PolarHBondContact O-NH2 2.75Å; E280-R374 VanDerWaalsContact OE1-CD 3.3Å; E280-R374 WeakPolarHBondContact OE1-CD 3.33Å; E280-R374 IonicContact OE1-NE 2.8Å; E280-R374 PolarHBondContact OE1-NE 3.06Å; L370-R374 HydrophobicContact CD1-CG 3.76Å; L370-R374 HydrophobicContact CG-CG 4.27Å; L370-R374 VanDerWaalsContact O-CG 3.24Å; L370-R374 WeakPolarHBondContact O-CG 3.48Å; L370-R374 PolarHBondContact O-N 2.91Å; M371-R374 PolarHBondContact O-N 2.77Å; S372-R374 VanDerWaalsContact C-N 3.29Å; S372-R374 PolarHBondContact O-N 3.42Å; R374-M377 PolarHBondContact NH1-SD 2.69Å; R374-M377 WeakPolarHBondContact O-CG 3.45Å
375	F	98.9	Very high	98.7	Very high	5 Å²	5	16.4 Å²	16.4	2%	0.022	8%	0.082	C	C	.	.	H	α-helix	trans	-81.9	-46.5	174.4	-171.2	-155.2	0	0	0	112	L160 I164 L191 Y195 K197 S372 W373 M377 D378 L379 I512 L515	L160-F375 HydrophobicContact CD1-CE1 4.18Å; L160-F375 HydrophobicContact CD1-CZ 4.49Å; L160-F375 HydrophobicContact CD2-CD1 4.28Å; L160-F375 HydrophobicContact CD2-CE1 3.85Å; I164-F375 HydrophobicContact CD1-CD1 4.16Å; I164-F375 HydrophobicContact CG2-CD1 4.47Å; L191-F375 HydrophobicContact CD2-CB 4Å; L191-F375 HydrophobicContact CD2-CD1 3.65Å; L191-F375 HydrophobicContact CD2-CE1 4.46Å; L191-F375 HydrophobicContact CD2-CG 4.1Å; Y195-F375 AromaticContact CD1-CE1 3.65Å; Y195-F375 HydrophobicContact CD1-CE1 3.65Å; Y195-F375 AromaticContact CD1-CZ 3.49Å; Y195-F375 HydrophobicContact CD1-CZ 3.49Å; Y195-F375 VanDerWaalsContact CD1-CZ 3.49Å; Y195-F375 AromaticContact CD2-CE1 3.88Å; Y195-F375 HydrophobicContact CD2-CE1 3.88Å; Y195-F375 HydrophobicContact CD2-CZ 4.43Å; Y195-F375 HydrophobicContact CE1-CE1 4.16Å; Y195-F375 HydrophobicContact CE1-CZ 4.26Å; Y195-F375 HydrophobicContact CE2-CE1 4.39Å; Y195-F375 HydrophobicContact CG-CD1 4.44Å; Y195-F375 AromaticContact CG-CE1 3.48Å; Y195-F375 HydrophobicContact CG-CE1 3.48Å; Y195-F375 VanDerWaalsContact CG-CE1 3.48Å; Y195-F375 AromaticContact CG-CZ 3.57Å; Y195-F375 HydrophobicContact CG-CZ 3.57Å; K197-F375 HydrophobicContact CB-CD2 4.39Å; K197-F375 HydrophobicContact CG-CB 4.09Å; K197-F375 HydrophobicContact CG-CD2 4.41Å; K197-F375 HydrophobicContact CG-CG 4.42Å; S372-F375 PolarHBondContact O-N 2.96Å; S372-F375 VanDerWaalsContact O-N 3.07Å; W373-F375 PolarHBondContact O-N 2.92Å; W373-F375 VanDerWaalsContact O-N 3.14Å; F375-M377 VanDerWaalsContact C-N 3.27Å; F375-M377 PolarHBondContact O-N 2.78Å; F375-D378 WeakPolarHBondContact O-CB 3.36Å; F375-D378 PolarHBondContact O-N 2.92Å; F375-L379 HydrophobicContact CD1-CD1 4.08Å; F375-L379 HydrophobicContact CD2-CD1 4.04Å; F375-L379 HydrophobicContact CD2-CD2 4.46Å; F375-L379 HydrophobicContact CD2-CG 4.05Å; F375-L379 HydrophobicContact CE1-CD1 3.88Å; F375-L379 HydrophobicContact CE2-CD1 3.83Å; F375-L379 HydrophobicContact CE2-CD2 3.77Å; F375-L379 HydrophobicContact CE2-CG 3.83Å; F375-L379 HydrophobicContact CG-CD1 4.15Å; F375-L379 HydrophobicContact CZ-CD1 3.74Å; F375-L379 HydrophobicContact CZ-CD2 4.05Å; F375-L379 HydrophobicContact CZ-CG 4.19Å; F375-L379 PolarHBondContact O-N 3.3Å; F375-I512 HydrophobicContact CZ-CD1 4.06Å; F375-L515 HydrophobicContact CE2-CD1 3.82Å; F375-L515 HydrophobicContact CZ-CD1 3.99Å
376	I	98.9	Very high	98.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-54.7	-43.3	-179.8	-69.7	165.2	0	0	0	111.2	L157 L161 W167 V252 S372 W373 D378 L379 V380	L157-I376 HydrophobicContact CD1-CG1 4.2Å; L157-I376 HydrophobicContact CD2-CG1 4.5Å; L157-I376 HydrophobicContact CD2-CG2 4.07Å; L161-I376 HydrophobicContact CD2-CD1 3.79Å; L161-I376 HydrophobicContact CD2-CG1 4.22Å; W167-I376 HydrophobicContact CB-CD1 3.88Å; W167-I376 HydrophobicContact CD2-CD1 3.49Å; W167-I376 VanDerWaalsContact CD2-CD1 3.49Å; W167-I376 HydrophobicContact CE3-CD1 3.46Å; W167-I376 VanDerWaalsContact CE3-CD1 3.46Å; W167-I376 HydrophobicContact CG-CD1 3.7Å; W167-I376 HydrophobicContact CZ3-CD1 4.12Å; W167-I376 HydrophobicContact CZ3-CG2 4.48Å; V252-I376 HydrophobicContact CG1-CG2 3.6Å; S372-I376 WeakPolarHBondContact O-CB 3.24Å; S372-I376 WeakPolarHBondContact O-CD1 3.33Å; S372-I376 WeakPolarHBondContact O-CG1 3.47Å; S372-I376 PolarHBondContact O-N 3.27Å; W373-I376 HydrophobicContact CE3-CG2 4.43Å; W373-I376 PolarHBondContact O-N 2.87Å; W373-I376 VanDerWaalsContact O-N 3.14Å; I376-D378 PolarHBondContact O-N 2.74Å; I376-D378 VanDerWaalsContact O-N 3.14Å; I376-L379 PolarHBondContact O-N 3.18Å; I376-V380 HydrophobicContact CG2-CG1 4.2Å; I376-V380 WeakPolarHBondContact O-CG1 3.4Å; I376-V380 PolarHBondContact O-N 2.72Å; I376-V380 VanDerWaalsContact O-N 3.07Å
377	M	98.8	Very high	98.7	Very high	6 Å²	6	17.5 Å²	17.5	3%	0.03	9%	0.094	C	C	.	.	H	α-helix	trans	-62.5	-22.1	-178.7	70.4	178.1	-74.7	0	0	114.4	Y245 F248 W373 R374 F375 F394	Y245-M377 HydrophobicContact CE2-CE 3.86Å; Y245-M377 HydrophobicContact CE2-SD 3.92Å; F248-M377 HydrophobicContact CE1-CB 3.81Å; F248-M377 HydrophobicContact CZ-CB 4.09Å; W373-M377 HydrophobicContact CD2-CB 4.18Å; W373-M377 HydrophobicContact CE3-CB 4.19Å; W373-M377 HydrophobicContact CH2-CB 3.69Å; W373-M377 HydrophobicContact CZ2-CB 3.64Å; W373-M377 HydrophobicContact CZ2-CG 4.46Å; W373-M377 HydrophobicContact CZ2-SD 4.13Å; W373-M377 HydrophobicContact CZ3-CB 3.95Å; W373-M377 WeakPolarHBondContact O-CB 3.49Å; W373-M377 WeakPolarHBondContact O-CG 3.44Å; W373-M377 PolarHBondContact O-N 2.96Å; R374-M377 PolarHBondContact NH1-SD 2.69Å; R374-M377 WeakPolarHBondContact O-CG 3.45Å; F375-M377 VanDerWaalsContact C-N 3.27Å; F375-M377 PolarHBondContact O-N 2.78Å; M377-F394 HydrophobicContact CE-CE1 3.85Å; M377-F394 HydrophobicContact CE-CZ 4.11Å
378	D	98.4	Very high	98.6	Very high	75 Å²	75	17.9 Å²	17.9	40%	0.401	10%	0.095	S	C	.	.	H	α-helix	trans	-81.9	-36.3	173	-62.2	-19	0	0	0	110.5	K197 F375 I376 S381	K197-D378 IonicContact NZ-OD1 3.72Å; K197-D378 IonicContact NZ-OD2 2.77Å; K197-D378 PolarHBondContact NZ-OD2 3.4Å; F375-D378 WeakPolarHBondContact O-CB 3.36Å; F375-D378 PolarHBondContact O-N 2.92Å; I376-D378 PolarHBondContact O-N 2.74Å; I376-D378 VanDerWaalsContact O-N 3.14Å; D378-S381 PolarHBondContact O-OG 3.15Å; D378-S381 VanDerWaalsContact O-OG 3.1Å
379	L	98.7	Very high	98.6	Very high	5 Å²	5	23 Å²	23	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-76.2	-27.9	-174.8	-64.5	176.2	0	0	0	114.3	L157 L160 F375 I376 S381 S382 F508 I511 I512	L157-L379 HydrophobicContact CD1-CD1 3.82Å; L160-L379 HydrophobicContact CD1-CD1 4.47Å; F375-L379 HydrophobicContact CD1-CD1 4.08Å; F375-L379 HydrophobicContact CD2-CD1 4.04Å; F375-L379 HydrophobicContact CD2-CD2 4.46Å; F375-L379 HydrophobicContact CD2-CG 4.05Å; F375-L379 HydrophobicContact CE1-CD1 3.88Å; F375-L379 HydrophobicContact CE2-CD1 3.83Å; F375-L379 HydrophobicContact CE2-CD2 3.77Å; F375-L379 HydrophobicContact CE2-CG 3.83Å; F375-L379 HydrophobicContact CG-CD1 4.15Å; F375-L379 HydrophobicContact CZ-CD1 3.74Å; F375-L379 HydrophobicContact CZ-CD2 4.05Å; F375-L379 HydrophobicContact CZ-CG 4.19Å; F375-L379 PolarHBondContact O-N 3.3Å; I376-L379 PolarHBondContact O-N 3.18Å; L379-S381 PolarHBondContact O-N 3.35Å; L379-S382 WeakPolarHBondContact O-CB 3.34Å; L379-S382 PolarHBondContact O-N 2.57Å; L379-F508 HydrophobicContact CB-CE2 4.25Å; L379-F508 HydrophobicContact CD1-CZ 4.15Å; L379-F508 HydrophobicContact CD2-CE2 4.26Å; L379-F508 HydrophobicContact CD2-CZ 4.38Å; L379-I511 HydrophobicContact CD2-CD1 3.99Å; L379-I512 HydrophobicContact CD2-CD1 4.06Å
380	V	98.3	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-57.7	-28.6	-175.4	-62.9	0	0	0	0	113.7	F248 V252 I376 S382 L383 Y387	F248-V380 HydrophobicContact CE2-CG2 3.92Å; F248-V380 HydrophobicContact CZ-CG2 3.6Å; V252-V380 HydrophobicContact CG1-CG1 3.92Å; V252-V380 HydrophobicContact CG2-CG1 3.84Å; I376-V380 HydrophobicContact CG2-CG1 4.2Å; I376-V380 WeakPolarHBondContact O-CG1 3.4Å; I376-V380 PolarHBondContact O-N 2.72Å; I376-V380 VanDerWaalsContact O-N 3.07Å; V380-S382 PolarHBondContact O-N 3Å; V380-L383 PolarHBondContact O-N 3.35Å; V380-Y387 HydrophobicContact CG1-CD1 4.43Å
381	S	96.8	Very high	98.6	Very high	51 Å²	51	26 Å²	26	36%	0.357	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-69.5	-12	177.8	66.9	0	0	0	0	113.5	D378 L379 K388	D378-S381 PolarHBondContact O-OG 3.15Å; D378-S381 VanDerWaalsContact O-OG 3.1Å; L379-S381 PolarHBondContact O-N 3.35Å; S381-K388 WeakPolarHBondContact O-CE 3.49Å
382	S	98.4	Very high	98.6	Very high	15 Å²	15	29.1 Å²	29.1	11%	0.105	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-110.3	7	-179.5	-58.7	0	0	0	0	113.4	L379 V380	L379-S382 WeakPolarHBondContact O-CB 3.34Å; L379-S382 PolarHBondContact O-N 2.57Å; V380-S382 PolarHBondContact O-N 3Å
383	L	98.8	Very high	98.5	Very high	3 Å²	3	32 Å²	32	2%	0.016	17%	0.173	C	C	.	.	S	Bend	trans	-101.8	-172.9	175.1	-64.4	175.8	0	0	0	111	I149 P156 L157 V380 Y387 K388 F508	I149-L383 WeakPolarHBondContact CG2-O 3.44Å; P156-L383 HydrophobicContact CB-CD2 4.42Å; P156-L383 HydrophobicContact CG-CD2 4.49Å; L157-L383 HydrophobicContact CB-CD1 3.82Å; L157-L383 HydrophobicContact CB-CD2 4.14Å; L157-L383 HydrophobicContact CD2-CD1 3.83Å; L157-L383 HydrophobicContact CG-CD1 4.45Å; V380-L383 PolarHBondContact O-N 3.35Å; L383-Y387 HydrophobicContact CB-CD2 4.3Å; L383-Y387 HydrophobicContact CB-CG 4.06Å; L383-Y387 HydrophobicContact CD1-CD1 3.81Å; L383-Y387 HydrophobicContact CD1-CD2 4.36Å; L383-Y387 HydrophobicContact CD1-CE1 4.26Å; L383-Y387 HydrophobicContact CD1-CG 3.85Å; L383-K388 WeakPolarHBondContact O-CE 3.26Å; L383-K388 PolarHBondContact O-NZ 2.87Å; L383-F508 HydrophobicContact CD2-CD2 3.61Å; L383-F508 HydrophobicContact CD2-CE2 3.62Å; L383-F508 HydrophobicContact CG-CD2 4.45Å; L383-F508 HydrophobicContact CG-CE2 4.27Å
384	S	98.7	Very high	98.5	Very high	7 Å²	7	32 Å²	32	5%	0.049	17%	0.174	C	C	.	.			trans	-56.8	161.2	177	61.8	0	0	0	0	114.4	D150 G153 T386 Y387 K388	D150-S384 VanDerWaalsContact OD1-CA 3.27Å; D150-S384 WeakPolarHBondContact OD1-CA 3.5Å; G153-S384 WeakPolarHBondContact CA-OG 3.26Å; G153-S384 WeakPolarHBondContact O-CB 3.5Å; G153-S384 PolarHBondContact O-N 3.08Å; G153-S384 VanDerWaalsContact O-N 3.16Å; G153-S384 PolarHBondContact O-OG 3.39Å; G153-S384 VanDerWaalsContact O-OG 3.05Å; S384-T386 PolarHBondContact O-N 3.2Å; S384-T386 VanDerWaalsContact O-N 3.14Å; S384-Y387 PolarHBondContact O-N 3.44Å; S384-K388 PolarHBondContact O-N 2.92Å; S384-K388 VanDerWaalsContact O-N 3.08Å
385	R	98.3	Very high	98.5	Very high	88 Å²	88	32 Å²	32	33%	0.332	17%	0.173	S	C	.	.	H	α-helix	trans	-44.7	-44.8	177.6	-177.1	64.6	61.8	-168.2	-1.8	113.4	E146 D150 Y387 K388 E389	E146-R385 VanDerWaalsContact CD-NH2 3.32Å; E146-R385 IonicContact OE1-NH2 3.81Å; E146-R385 PolarHBondContact OE1-NH2 3.46Å; E146-R385 IonicContact OE2-NH2 3.92Å; E146-R385 PolarHBondContact OE2-NH2 2.85Å; D150-R385 PolarHBondContact OD1-N 2.87Å; R385-Y387 VanDerWaalsContact C-N 3.3Å; R385-Y387 PolarHBondContact O-N 3.42Å; R385-K388 PolarHBondContact O-N 3.05Å; R385-K388 VanDerWaalsContact O-N 3.13Å; R385-E389 WeakPolarHBondContact CD-OE1 3.42Å; R385-E389 HydrophobicContact CG-CG 4.31Å; R385-E389 WeakPolarHBondContact CG-OE1 3.46Å; R385-E389 WeakPolarHBondContact O-CG 3.16Å; R385-E389 PolarHBondContact O-N 2.92Å
386	T	98.6	Very high	98.5	Very high	82 Å²	82	36.7 Å²	36.7	50%	0.503	19%	0.194	S	C	.	.	H	α-helix	trans	-57	-41.4	179.5	-48.9	0	0	0	0	112.3	L255 S384	L255-T386 HydrophobicContact CD1-CG2 4.29Å; L255-T386 HydrophobicContact CD2-CG2 3.57Å; S384-T386 PolarHBondContact O-N 3.2Å; S384-T386 VanDerWaalsContact O-N 3.14Å
387	Y	98.8	Very high	98.5	Very high	5 Å²	5	37.5 Å²	37.5	2%	0.02	20%	0.201	C	C	.	.	H	α-helix	trans	-73.6	-40.6	175.5	-78.9	-91.7	0	0	0	111.9	V252 L255 I256 E259 V380 L383 S384 R385 E389 S390	V252-Y387 HydrophobicContact CG1-CD1 4.48Å; V252-Y387 HydrophobicContact CG1-CE1 4.47Å; L255-Y387 HydrophobicContact CB-CD1 4.37Å; L255-Y387 HydrophobicContact CB-CE1 3.79Å; L255-Y387 HydrophobicContact CD1-CD1 3.98Å; L255-Y387 HydrophobicContact CD1-CE1 4.25Å; L255-Y387 HydrophobicContact CD1-CG 4.17Å; I256-Y387 HydrophobicContact CG1-CE1 4.01Å; E259-Y387 VanDerWaalsContact OE2-CE2 3.3Å; E259-Y387 WeakPolarHBondContact OE2-CE2 2.85Å; E259-Y387 PolarHBondContact OE2-OH 3.49Å; V380-Y387 HydrophobicContact CG1-CD1 4.43Å; L383-Y387 HydrophobicContact CB-CD2 4.3Å; L383-Y387 HydrophobicContact CB-CG 4.06Å; L383-Y387 HydrophobicContact CD1-CD1 3.81Å; L383-Y387 HydrophobicContact CD1-CD2 4.36Å; L383-Y387 HydrophobicContact CD1-CE1 4.26Å; L383-Y387 HydrophobicContact CD1-CG 3.85Å; S384-Y387 PolarHBondContact O-N 3.44Å; R385-Y387 VanDerWaalsContact C-N 3.3Å; R385-Y387 PolarHBondContact O-N 3.42Å; Y387-E389 VanDerWaalsContact C-N 3.29Å; Y387-E389 PolarHBondContact O-N 3.32Å; Y387-S390 WeakPolarHBondContact O-CB 3.35Å; Y387-S390 PolarHBondContact O-N 3.28Å; Y387-S390 PolarHBondContact O-OG 3.44Å
388	K	98.6	Very high	98.5	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.035	20%	0.2	C	C	.	.	H	α-helix	trans	-57.4	-43.1	176.6	-63.5	-170.7	178	83.8	0	111.7	S381 L383 S384 R385 S390 R391	S381-K388 WeakPolarHBondContact O-CE 3.49Å; L383-K388 WeakPolarHBondContact O-CE 3.26Å; L383-K388 PolarHBondContact O-NZ 2.87Å; S384-K388 PolarHBondContact O-N 2.92Å; S384-K388 VanDerWaalsContact O-N 3.08Å; R385-K388 PolarHBondContact O-N 3.05Å; R385-K388 VanDerWaalsContact O-N 3.13Å; K388-S390 VanDerWaalsContact C-N 3.27Å; K388-S390 PolarHBondContact O-N 3.22Å; K388-R391 PolarHBondContact O-N 3.35Å
389	E	98.4	Very high	98.5	Very high	106 Å²	106	37.2 Å²	37.2	50%	0.495	20%	0.195	S	C	.	.	H	α-helix	trans	-65.1	-27.1	-177.8	-75.1	177	-179.5	0	0	113.8	R385 Y387 R391 N392	R385-E389 WeakPolarHBondContact CD-OE1 3.42Å; R385-E389 HydrophobicContact CG-CG 4.31Å; R385-E389 WeakPolarHBondContact CG-OE1 3.46Å; R385-E389 WeakPolarHBondContact O-CG 3.16Å; R385-E389 PolarHBondContact O-N 2.92Å; Y387-E389 VanDerWaalsContact C-N 3.29Å; Y387-E389 PolarHBondContact O-N 3.32Å; E389-R391 PolarHBondContact O-N 3.24Å; E389-N392 VanDerWaalsContact O-CB 3.31Å; E389-N392 WeakPolarHBondContact O-CB 3.22Å; E389-N392 PolarHBondContact O-N 2.86Å; E389-N392 PolarHBondContact O-ND2 2.87Å
390	S	98.7	Very high	98.4	Very high	21 Å²	21	37.1 Å²	37.1	15%	0.147	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.6	176.7	72.6	0	0	0	0	113.4	F248 V252 Y387 K388	F248-S390 VanDerWaalsContact CD2-O 3.24Å; F248-S390 WeakPolarHBondContact CD2-O 3.45Å; F248-S390 WeakPolarHBondContact CE2-OG 3.16Å; V252-S390 WeakPolarHBondContact CG2-OG 3.1Å; Y387-S390 WeakPolarHBondContact O-CB 3.35Å; Y387-S390 PolarHBondContact O-N 3.28Å; Y387-S390 PolarHBondContact O-OG 3.44Å; K388-S390 VanDerWaalsContact C-N 3.27Å; K388-S390 PolarHBondContact O-N 3.22Å
391	R	98.6	Very high	98.4	Very high	51 Å²	51	37.4 Å²	37.4	19%	0.192	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-5.3	-179.8	-160.2	175	-172.9	-82.6	1.8	113.9	F248 K388 E389 A393 F394 R395	F248-R391 HydrophobicContact CE1-CG 3.94Å; F248-R391 HydrophobicContact CE2-CB 3.98Å; F248-R391 HydrophobicContact CE2-CG 4.25Å; F248-R391 HydrophobicContact CZ-CB 4.02Å; F248-R391 HydrophobicContact CZ-CG 3.8Å; K388-R391 PolarHBondContact O-N 3.35Å; E389-R391 PolarHBondContact O-N 3.24Å; R391-A393 PolarHBondContact O-N 2.58Å; R391-F394 HydrophobicContact CG-CD1 4.23Å; R391-F394 PolarHBondContact O-N 3.44Å; R391-R395 WeakPolarHBondContact O-CB 3.47Å; R391-R395 PolarHBondContact O-N 2.85Å
392	N	98.4	Very high	98.4	Very high	65 Å²	65	38.1 Å²	38.1	35%	0.348	20%	0.199	S	C	.	.	H	α-helix	trans	-59.7	-52	-168.1	-77.8	-23.3	0	0	0	114	E389 F394 R395 K396	E389-N392 VanDerWaalsContact O-CB 3.31Å; E389-N392 WeakPolarHBondContact O-CB 3.22Å; E389-N392 PolarHBondContact O-N 2.86Å; E389-N392 PolarHBondContact O-ND2 2.87Å; N392-F394 PolarHBondContact O-N 2.88Å; N392-R395 PolarHBondContact O-N 2.91Å; N392-R395 PolarHBondContact OD1-NH1 3.12Å; N392-R395 PolarHBondContact OD1-NH2 2.85Å; N392-K396 WeakPolarHBondContact O-CB 3.4Å; N392-K396 PolarHBondContact O-N 3.46Å
393	A	98.5	Very high	98.3	Very high	60 Å²	60	40.3 Å²	40.3	50%	0.496	21%	0.214	S	C	.	.	H	α-helix	trans	-63.2	-43.6	179.6	0	0	0	0	0	111.4	A244 R391 K396 A397	A244-A393 HydrophobicContact CB-CB 4.32Å; R391-A393 PolarHBondContact O-N 2.58Å; A393-K396 PolarHBondContact O-N 2.75Å; A393-A397 WeakPolarHBondContact O-CB 3.25Å; A393-A397 PolarHBondContact O-N 3.42Å
394	F	98.8	Very high	98.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-47.2	177.6	-178.4	-116.8	0	0	0	112.3	L226 A244 Y245 F248 M377 R391 N392 K396 A397 L398	L226-F394 HydrophobicContact CD2-CE2 3.65Å; L226-F394 HydrophobicContact CD2-CZ 4.21Å; A244-F394 HydrophobicContact CB-CB 4.42Å; Y245-F394 HydrophobicContact CD2-CD2 4.11Å; Y245-F394 HydrophobicContact CD2-CE1 4.47Å; Y245-F394 AromaticContact CD2-CE2 3.47Å; Y245-F394 HydrophobicContact CD2-CE2 3.47Å; Y245-F394 VanDerWaalsContact CD2-CE2 3.47Å; Y245-F394 AromaticContact CD2-CZ 3.66Å; Y245-F394 HydrophobicContact CD2-CZ 3.66Å; Y245-F394 HydrophobicContact CE2-CE2 4.45Å; Y245-F394 HydrophobicContact CE2-CZ 4.25Å; Y245-F394 HydrophobicContact CG-CD2 4.46Å; Y245-F394 AromaticContact CG-CE2 3.89Å; Y245-F394 HydrophobicContact CG-CE2 3.89Å; Y245-F394 HydrophobicContact CG-CZ 4.47Å; F248-F394 HydrophobicContact CB-CB 4.11Å; F248-F394 HydrophobicContact CD1-CB 3.98Å; F248-F394 AromaticContact CD1-CD1 3.62Å; F248-F394 HydrophobicContact CD1-CD1 3.62Å; F248-F394 HydrophobicContact CD1-CE1 4.25Å; F248-F394 AromaticContact CD1-CG 3.81Å; F248-F394 HydrophobicContact CD1-CG 3.81Å; F248-F394 AromaticContact CE1-CD1 3.88Å; F248-F394 HydrophobicContact CE1-CD1 3.88Å; F248-F394 HydrophobicContact CE1-CE1 4.34Å; F248-F394 HydrophobicContact CG-CB 4.21Å; F248-F394 HydrophobicContact CG-CG 4.5Å; M377-F394 HydrophobicContact CE-CE1 3.85Å; M377-F394 HydrophobicContact CE-CZ 4.11Å; R391-F394 HydrophobicContact CG-CD1 4.23Å; R391-F394 PolarHBondContact O-N 3.44Å; N392-F394 PolarHBondContact O-N 2.88Å; F394-K396 PolarHBondContact O-N 3.12Å; F394-A397 PolarHBondContact O-N 2.97Å; F394-L398 HydrophobicContact CD1-CD1 4.43Å; F394-L398 HydrophobicContact CD2-CD1 4.37Å; F394-L398 HydrophobicContact CE1-CD1 3.81Å; F394-L398 HydrophobicContact CE2-CD1 3.71Å; F394-L398 HydrophobicContact CE2-CG 4.17Å; F394-L398 HydrophobicContact CZ-CD1 3.41Å; F394-L398 VanDerWaalsContact CZ-CD1 3.41Å; F394-L398 HydrophobicContact CZ-CG 4.35Å; F394-L398 WeakPolarHBondContact O-CG 3.41Å; F394-L398 PolarHBondContact O-N 3.27Å
395	R	98.6	Very high	98	Very high	16 Å²	16	43.9 Å²	43.9	6%	0.06	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-48.7	174.9	-175.6	-173.7	63	-112.6	-7.8	110.3	R391 N392 A397 L398 Y399 T401 T402 E404	R391-R395 WeakPolarHBondContact O-CB 3.47Å; R391-R395 PolarHBondContact O-N 2.85Å; N392-R395 PolarHBondContact O-N 2.91Å; N392-R395 PolarHBondContact OD1-NH1 3.12Å; N392-R395 PolarHBondContact OD1-NH2 2.85Å; R395-A397 PolarHBondContact O-N 2.86Å; R395-L398 PolarHBondContact O-N 3.41Å; R395-Y399 HydrophobicContact CG-CD2 3.88Å; R395-Y399 VanDerWaalsContact O-CB 3.24Å; R395-Y399 WeakPolarHBondContact O-CB 3.49Å; R395-Y399 VanDerWaalsContact O-CD2 3.31Å; R395-Y399 WeakPolarHBondContact O-CD2 3.33Å; R395-Y399 PolarHBondContact O-N 3.22Å; R395-T401 WeakPolarHBondContact CD-OG1 3.23Å; R395-T401 WeakPolarHBondContact CG-OG1 3.42Å; R395-T401 PolarHBondContact NE-OG1 3.46Å; R395-T402 PolarHBondContact NH2-O 3.12Å; R395-E404 IonicContact NH1-OE1 3.21Å
396	K	98.6	Very high	98	Very high	105 Å²	105	41.6 Å²	41.6	46%	0.457	23%	0.233	S	C	.	.	H	α-helix	trans	-60	-43.9	-179.6	-172.1	-180	178	-176.3	0	112.1	N392 A393 F394 L398 Y399 G400	N392-K396 WeakPolarHBondContact O-CB 3.4Å; N392-K396 PolarHBondContact O-N 3.46Å; A393-K396 PolarHBondContact O-N 2.75Å; F394-K396 PolarHBondContact O-N 3.12Å; K396-L398 VanDerWaalsContact C-N 3.25Å; K396-L398 PolarHBondContact O-N 3.18Å; K396-Y399 PolarHBondContact O-N 2.76Å; K396-G400 VanDerWaalsContact O-CA 3.24Å; K396-G400 WeakPolarHBondContact O-CA 3.38Å; K396-G400 PolarHBondContact O-N 3.42Å
397	A	98.6	Very high	97.9	Very high	17 Å²	17	39.1 Å²	39.1	14%	0.14	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-27.8	179.8	0	0	0	0	0	113.7	E240 A241 A244 A393 F394 R395	E240-A397 HydrophobicContact CG-CB 4.12Å; A241-A397 HydrophobicContact CB-CB 4.34Å; A244-A397 HydrophobicContact CB-CB 4.15Å; A393-A397 WeakPolarHBondContact O-CB 3.25Å; A393-A397 PolarHBondContact O-N 3.42Å; F394-A397 PolarHBondContact O-N 2.97Å; R395-A397 PolarHBondContact O-N 2.86Å
398	L	98.3	Very high	97.9	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-94.5	-27.7	180	-63.8	-172	0	0	0	114.4	L226 P227 Y231 A241 F394 R395 K396 N705	L226-L398 HydrophobicContact CD2-CD2 4.35Å; P227-L398 HydrophobicContact CG-CD1 4.03Å; P227-L398 HydrophobicContact CG-CD2 3.73Å; P227-L398 HydrophobicContact CG-CG 4.38Å; Y231-L398 HydrophobicContact CD1-CD2 4.29Å; Y231-L398 HydrophobicContact CE1-CD2 3.68Å; A241-L398 HydrophobicContact CB-CD2 3.77Å; F394-L398 HydrophobicContact CD1-CD1 4.43Å; F394-L398 HydrophobicContact CD2-CD1 4.37Å; F394-L398 HydrophobicContact CE1-CD1 3.81Å; F394-L398 HydrophobicContact CE2-CD1 3.71Å; F394-L398 HydrophobicContact CE2-CG 4.17Å; F394-L398 HydrophobicContact CZ-CD1 3.41Å; F394-L398 VanDerWaalsContact CZ-CD1 3.41Å; F394-L398 HydrophobicContact CZ-CG 4.35Å; F394-L398 WeakPolarHBondContact O-CG 3.41Å; F394-L398 PolarHBondContact O-N 3.27Å; R395-L398 PolarHBondContact O-N 3.41Å; K396-L398 VanDerWaalsContact C-N 3.25Å; K396-L398 PolarHBondContact O-N 3.18Å; L398-N705 PolarHBondContact O-ND2 3.06Å
399	Y	98.2	Very high	97.9	Very high	71 Å²	71	43.9 Å²	43.9	28%	0.278	24%	0.236	S	C	.	.	H	α-helix	trans	-129	-11.1	-163.6	-64.7	-63	0	0	0	113.5	S102 R395 K396 T401 Y702	S102-Y399 WeakPolarHBondContact CA-O 3.4Å; S102-Y399 VanDerWaalsContact CB-O 3.3Å; S102-Y399 WeakPolarHBondContact CB-O 3.4Å; S102-Y399 VanDerWaalsContact OG-CB 3.25Å; S102-Y399 WeakPolarHBondContact OG-CB 3.46Å; S102-Y399 PolarHBondContact OG-O 3.46Å; R395-Y399 HydrophobicContact CG-CD2 3.88Å; R395-Y399 VanDerWaalsContact O-CB 3.24Å; R395-Y399 WeakPolarHBondContact O-CB 3.49Å; R395-Y399 VanDerWaalsContact O-CD2 3.31Å; R395-Y399 WeakPolarHBondContact O-CD2 3.33Å; R395-Y399 PolarHBondContact O-N 3.22Å; K396-Y399 PolarHBondContact O-N 2.76Å; Y399-T401 PolarHBondContact O-N 2.79Å; Y399-Y702 AromaticContact CD1-CD2 3.89Å; Y399-Y702 HydrophobicContact CD1-CD2 3.89Å; Y399-Y702 HydrophobicContact CD1-CE2 4.27Å; Y399-Y702 HydrophobicContact CE1-CD2 4.38Å; Y399-Y702 HydrophobicContact CE1-CE2 4.39Å
400	G	98.4	Very high	97.9	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.031	22%	0.223	C	C	.	.			trans	68.2	-3.4	-175.9	0	0	0	0	0	114.8	K396 R699 E701	K396-G400 VanDerWaalsContact O-CA 3.24Å; K396-G400 WeakPolarHBondContact O-CA 3.38Å; K396-G400 PolarHBondContact O-N 3.42Å; G400-R699 VanDerWaalsContact C-CD 3.48Å; G400-R699 WeakPolarHBondContact O-CD 3.46Å; G400-E701 WeakPolarHBondContact CA-OE2 3.43Å
401	T	98.1	Very high	97.9	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.031	22%	0.216	C	C	.	.			trans	-76.7	130.3	-176.8	56	0	0	0	0	111.2	E99 T100 R395 Y399	E99-T401 CarbonylContact O-C 3.33Å; E99-T401 WeakPolarHBondContact O-CA 3.49Å; E99-T401 WeakPolarHBondContact O-CB 3.44Å; T100-T401 VanDerWaalsContact C-CG2 3.49Å; R395-T401 WeakPolarHBondContact CD-OG1 3.23Å; R395-T401 WeakPolarHBondContact CG-OG1 3.42Å; R395-T401 PolarHBondContact NE-OG1 3.46Å; Y399-T401 PolarHBondContact O-N 2.79Å
402	T	96.6	Very high	97.9	Very high	66 Å²	66	38.3 Å²	38.3	41%	0.405	21%	0.207	S	C	.	.	S	Bend	trans	-91	-21.1	179.4	60.7	0	0	0	0	112.3	E99 R395	E99-T402 WeakPolarHBondContact CB-OG1 3.43Å; E99-T402 PolarHBondContact O-N 3.11Å; E99-T402 WeakPolarHBondContact OE2-CB 3.24Å; E99-T402 VanDerWaalsContact OE2-CG2 3.32Å; E99-T402 WeakPolarHBondContact OE2-CG2 3.4Å; E99-T402 PolarHBondContact OE2-OG1 3.35Å; R395-T402 PolarHBondContact NH2-O 3.12Å
403	S	96.1	Very high	97.9	Very high	61 Å²	61	38.2 Å²	38.2	43%	0.427	21%	0.207	S	C	.	.	S	Bend	trans	-129.7	165.2	177.1	-169.4	0	0	0	0	111.3	E99	E99-S403 PolarHBondContact O-N 3.46Å
404	E	94.8	Very high	97.9	Very high	37 Å²	37	37.9 Å²	37.9	17%	0.173	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-86.8	146.2	173.2	-120.2	173.1	-150.7	0	0	109.9	T100 R395 R410	T100-E404 WeakPolarHBondContact CG2-O 3.34Å; R395-E404 IonicContact NH1-OE1 3.21Å; E404-R410 VanDerWaalsContact CB-NH1 3.3Å; E404-R410 IonicContact OE2-CZ 3.25Å; E404-R410 IonicContact OE2-NH1 2.67Å; E404-R410 PolarHBondContact OE2-NH1 2.96Å; E404-R410 IonicContact OE2-NH2 3.54Å
405	T	95.6	Very high	97.9	Very high	48 Å²	48	37.8 Å²	37.8	29%	0.294	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-59.4	154.1	172.9	51.5	0	0	0	0	110.7	T407 R410	T405-T407 PolarHBondContact O-N 3.03Å; T405-R410 PolarHBondContact O-NH1 3.41Å; T405-R410 WeakPolarHBondContact OG1-CG 3.45Å
406	A	97.9	Very high	97.9	Very high	41 Å²	41	37.8 Å²	37.8	34%	0.339	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-52.3	139.7	-177.7	0	0	0	0	0	111.8	W408 R409 R410	A406-W408 VanDerWaalsContact C-N 3.27Å; A406-W408 HydrophobicContact CB-CG 4.5Å; A406-W408 PolarHBondContact O-N 3.31Å; A406-R409 HydrophobicContact CB-CG 4.22Å; A406-R409 WeakPolarHBondContact O-CA 3.36Å; A406-R409 WeakPolarHBondContact O-CB 3.27Å; A406-R409 PolarHBondContact O-N 3.09Å; A406-R410 PolarHBondContact O-N 3.02Å
407	T	98.1	Very high	97.9	Very high	30 Å²	30	35.5 Å²	35.5	18%	0.184	20%	0.2	C	C	.	.	H	α-helix	trans	-53.9	-44.7	-175.3	-56.9	0	0	0	0	112.1	E146 T405 R409 R410 C411	E146-T407 HydrophobicContact CG-CG2 3.88Å; E146-T407 PolarHBondContact OE1-OG1 3.11Å; T405-T407 PolarHBondContact O-N 3.03Å; T407-R409 VanDerWaalsContact C-N 3.28Å; T407-R409 PolarHBondContact O-N 3.1Å; T407-R410 PolarHBondContact O-N 3Å; T407-R410 PolarHBondContact OG1-NH2 3.49Å; T407-R410 VanDerWaalsContact OG1-NH2 3.09Å; T407-C411 WeakPolarHBondContact O-CB 3.3Å; T407-C411 PolarHBondContact O-N 3.2Å; T407-C411 PolarHBondContact O-SG 3.14Å
408	W	98.5	Very high	97.9	Very high	63 Å²	63	37.1 Å²	37.1	24%	0.239	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-33.1	177.9	70.9	-100.5	0	0	0	113.4	E115 V116 K119 Y140 I144 A406 A412	E115-W408 HydrophobicContact CB-CZ3 4.13Å; E115-W408 WeakPolarHBondContact O-CZ3 3.43Å; V116-W408 HydrophobicContact CG2-CH2 3.98Å; K119-W408 HydrophobicContact CB-CE3 3.62Å; K119-W408 HydrophobicContact CB-CZ3 3.69Å; K119-W408 HydrophobicContact CD-CD2 3.82Å; K119-W408 HydrophobicContact CD-CE3 3.7Å; K119-W408 HydrophobicContact CD-CG 4.36Å; K119-W408 HydrophobicContact CD-CH2 4.39Å; K119-W408 HydrophobicContact CD-CZ2 4.49Å; K119-W408 HydrophobicContact CD-CZ3 4.01Å; K119-W408 HydrophobicContact CG-CD2 4.18Å; K119-W408 HydrophobicContact CG-CE3 3.72Å; K119-W408 HydrophobicContact CG-CZ3 4.2Å; Y140-W408 WeakPolarHBondContact OH-CB 3.34Å; I144-W408 HydrophobicContact CG2-CB 4.4Å; A406-W408 VanDerWaalsContact C-N 3.27Å; A406-W408 HydrophobicContact CB-CG 4.5Å; A406-W408 PolarHBondContact O-N 3.31Å; W408-A412 VanDerWaalsContact O-CB 3.32Å; W408-A412 WeakPolarHBondContact O-CB 3.24Å; W408-A412 PolarHBondContact O-N 3.25Å
409	R	98.4	Very high	97.9	Very high	49 Å²	49	37 Å²	37	19%	0.185	21%	0.205	C	C	.	.	H	α-helix	trans	-68	-49.8	176.6	-72	-178.1	175.3	-79.7	2.8	110.6	D112 E115 A406 T407 C411 A412 N413	D112-R409 VanDerWaalsContact CA-NH1 3.31Å; D112-R409 PolarHBondContact O-NH1 3.32Å; D112-R409 IonicContact OD1-NH1 3.53Å; E115-R409 VanDerWaalsContact OE2-CB 3.27Å; E115-R409 WeakPolarHBondContact OE2-CB 3.33Å; E115-R409 WeakPolarHBondContact OE2-CD 3.33Å; E115-R409 WeakPolarHBondContact OE2-CG 3.34Å; E115-R409 IonicContact OE2-CZ 3.52Å; E115-R409 IonicContact OE2-NE 3.26Å; E115-R409 IonicContact OE2-NH1 3.16Å; E115-R409 PolarHBondContact OE2-NH1 2.88Å; A406-R409 HydrophobicContact CB-CG 4.22Å; A406-R409 WeakPolarHBondContact O-CA 3.36Å; A406-R409 WeakPolarHBondContact O-CB 3.27Å; A406-R409 PolarHBondContact O-N 3.09Å; T407-R409 VanDerWaalsContact C-N 3.28Å; T407-R409 PolarHBondContact O-N 3.1Å; R409-C411 VanDerWaalsContact C-N 3.27Å; R409-C411 PolarHBondContact O-N 3.1Å; R409-A412 PolarHBondContact O-N 3.32Å; R409-N413 WeakPolarHBondContact O-CB 3.49Å; R409-N413 PolarHBondContact O-N 3.43Å; R409-N413 PolarHBondContact O-ND2 3.2Å
410	R	98.3	Very high	97.9	Very high	60 Å²	60	37 Å²	37	23%	0.226	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-42.2	175.7	-61.6	-173.5	-53.2	-123.7	7.8	111.6	E146 E404 T405 A406 T407 Y414	E146-R410 IonicContact OE1-NH2 3.4Å; E404-R410 VanDerWaalsContact CB-NH1 3.3Å; E404-R410 IonicContact OE2-CZ 3.25Å; E404-R410 IonicContact OE2-NH1 2.67Å; E404-R410 PolarHBondContact OE2-NH1 2.96Å; E404-R410 IonicContact OE2-NH2 3.54Å; T405-R410 PolarHBondContact O-NH1 3.41Å; T405-R410 WeakPolarHBondContact OG1-CG 3.45Å; A406-R410 PolarHBondContact O-N 3.02Å; T407-R410 PolarHBondContact O-N 3Å; T407-R410 PolarHBondContact OG1-NH2 3.49Å; T407-R410 VanDerWaalsContact OG1-NH2 3.09Å; R410-Y414 VanDerWaalsContact O-CB 3.22Å; R410-Y414 WeakPolarHBondContact O-CB 3.42Å; R410-Y414 PolarHBondContact O-N 3.1Å
411	C	98.8	Very high	97.9	Very high	1 Å²	1	38 Å²	38	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-67.9	-44.2	178.7	-64.5	0	0	0	0	112.6	Y140 C143 I144 T407 R409 N413 Y414 V415	Y140-C411 HydrophobicContact CD2-CB 3.88Å; Y140-C411 HydrophobicContact CE2-CB 3.92Å; C143-C411 HydrophobicContact CB-CB 3.6Å; C143-C411 WeakPolarHBondContact CB-SG 3.5Å; C143-C411 PolarHBondContact O-SG 3.39Å; C143-C411 VanDerWaalsContact O-SG 3.4Å; C143-C411 WeakPolarHBondContact SG-CA 3.42Å; C143-C411 WeakPolarHBondContact SG-CB 3.34Å; C143-C411 CovalentContact SG-SG 2.03Å; C143-C411 PolarHBondContact SG-SG 3.08Å; I144-C411 HydrophobicContact CG2-CB 3.7Å; T407-C411 WeakPolarHBondContact O-CB 3.3Å; T407-C411 PolarHBondContact O-N 3.2Å; T407-C411 PolarHBondContact O-SG 3.14Å; R409-C411 VanDerWaalsContact C-N 3.27Å; R409-C411 PolarHBondContact O-N 3.1Å; C411-N413 PolarHBondContact O-N 3.19Å; C411-Y414 PolarHBondContact O-N 3.33Å; C411-V415 WeakPolarHBondContact O-CG2 3.14Å; C411-V415 PolarHBondContact O-N 2.96Å
412	A	98.8	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.6	-47.6	175.5	0	0	0	0	0	111.3	L118 L122 Y140 W408 R409 Y414 V415 N416	L118-A412 HydrophobicContact CB-CB 3.92Å; L122-A412 HydrophobicContact CD1-CB 4.34Å; Y140-A412 HydrophobicContact CE2-CB 4.23Å; W408-A412 VanDerWaalsContact O-CB 3.32Å; W408-A412 WeakPolarHBondContact O-CB 3.24Å; W408-A412 PolarHBondContact O-N 3.25Å; R409-A412 PolarHBondContact O-N 3.32Å; A412-Y414 PolarHBondContact O-N 3.34Å; A412-V415 PolarHBondContact O-N 3.38Å; A412-N416 WeakPolarHBondContact O-CB 3.29Å; A412-N416 PolarHBondContact O-N 3.21Å
413	N	98.6	Very high	98	Very high	64 Å²	64	34.7 Å²	34.7	34%	0.342	19%	0.192	S	C	.	.	H	α-helix	trans	-63.5	-39.5	175.8	-73.6	-24	0	0	0	112.8	E115 R409 C411 N416 G417	E115-N413 WeakPolarHBondContact CG-OD1 3.39Å; E115-N413 PolarHBondContact OE1-ND2 3.06Å; R409-N413 WeakPolarHBondContact O-CB 3.49Å; R409-N413 PolarHBondContact O-N 3.43Å; R409-N413 PolarHBondContact O-ND2 3.2Å; C411-N413 PolarHBondContact O-N 3.19Å; N413-N416 PolarHBondContact O-N 3.1Å; N413-G417 PolarHBondContact O-N 3.26Å
414	Y	98.8	Very high	98.1	Very high	53 Å²	53	31.8 Å²	31.8	21%	0.208	17%	0.172	C	C	.	.	H	α-helix	trans	-63.7	-46.2	178.2	-179.2	-97.8	0	0	0	111.6	L139 R410 C411 A412 G417 N418 Y507 I511 N514	L139-Y414 HydrophobicContact CD1-CE1 4.2Å; L139-Y414 HydrophobicContact CD2-CD1 4.33Å; L139-Y414 HydrophobicContact CD2-CE1 4.04Å; L139-Y414 HydrophobicContact CG-CE1 4.33Å; R410-Y414 VanDerWaalsContact O-CB 3.22Å; R410-Y414 WeakPolarHBondContact O-CB 3.42Å; R410-Y414 PolarHBondContact O-N 3.1Å; C411-Y414 PolarHBondContact O-N 3.33Å; A412-Y414 PolarHBondContact O-N 3.34Å; Y414-G417 PolarHBondContact O-N 2.81Å; Y414-N418 VanDerWaalsContact CE2-ND2 3.28Å; Y414-N418 WeakPolarHBondContact CE2-ND2 3.32Å; Y414-N418 PolarHBondContact O-N 3.42Å; Y414-N418 PolarHBondContact O-ND2 3.04Å; Y414-Y507 HydrophobicContact CD1-CE2 4.12Å; Y414-Y507 HydrophobicContact CE1-CE2 4.07Å; Y414-I511 HydrophobicContact CE1-CG2 3.85Å; Y414-I511 HydrophobicContact CE2-CG2 4.2Å; Y414-I511 VanDerWaalsContact OH-CA 3.28Å; Y414-I511 WeakPolarHBondContact OH-CA 3.23Å; Y414-I511 WeakPolarHBondContact OH-CB 3.42Å; Y414-I511 VanDerWaalsContact OH-CG2 3.31Å; Y414-I511 WeakPolarHBondContact OH-CG2 3.22Å; Y414-N514 PolarHBondContact OH-ND2 3.06Å
415	V	98.8	Very high	98.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-43.7	176.1	-176.6	0	0	0	0	110.5	L122 A136 L139 C411 A412 G417 N418 M419 V423	L122-V415 HydrophobicContact CD1-CB 4.31Å; L122-V415 HydrophobicContact CD2-CG1 4.27Å; A136-V415 HydrophobicContact CB-CG1 3.82Å; A136-V415 WeakPolarHBondContact O-CG1 3.49Å; L139-V415 HydrophobicContact CB-CG2 4.08Å; L139-V415 HydrophobicContact CD2-CB 4.43Å; L139-V415 HydrophobicContact CD2-CG1 4.33Å; L139-V415 HydrophobicContact CD2-CG2 3.95Å; L139-V415 HydrophobicContact CG-CG2 3.83Å; C411-V415 WeakPolarHBondContact O-CG2 3.14Å; C411-V415 PolarHBondContact O-N 2.96Å; A412-V415 PolarHBondContact O-N 3.38Å; V415-G417 VanDerWaalsContact C-N 3.33Å; V415-G417 PolarHBondContact O-N 3.42Å; V415-N418 PolarHBondContact O-N 3.45Å; V415-M419 HydrophobicContact CG1-CB 4.48Å; V415-M419 PolarHBondContact O-N 3.19Å; V415-V423 HydrophobicContact CB-CG2 4.47Å; V415-V423 HydrophobicContact CG1-CG2 3.74Å
416	N	98.7	Very high	98.5	Very high	16 Å²	16	30 Å²	30	9%	0.086	16%	0.159	C	C	.	.	H	α-helix	trans	-57.1	-44.8	176.3	-169.7	33.5	0	0	0	112.2	L118 A412 N413 N418 E420 V423 A540	L118-N416 HydrophobicContact CD1-CB 3.95Å; A412-N416 WeakPolarHBondContact O-CB 3.29Å; A412-N416 PolarHBondContact O-N 3.21Å; N413-N416 PolarHBondContact O-N 3.1Å; N416-N418 VanDerWaalsContact C-N 3.32Å; N416-N418 PolarHBondContact O-N 3.16Å; N416-E420 WeakPolarHBondContact O-CA 3.34Å; N416-E420 WeakPolarHBondContact O-CB 3.44Å; N416-E420 PolarHBondContact O-N 3.37Å; N416-E420 VanDerWaalsContact O-N 3.12Å; N416-V423 HydrophobicContact CB-CB 4.36Å; N416-V423 HydrophobicContact CB-CG1 3.94Å; N416-V423 WeakPolarHBondContact OD1-CG1 3.2Å; N416-A540 PolarHBondContact ND2-O 3.26Å
417	G	98	Very high	98.5	Very high	57 Å²	57	28.3 Å²	28.3	59%	0.588	14%	0.144	S	C	*	.	H	α-helix	trans	-72.2	-17.9	-179.8	0	0	0	0	0	115.4	N413 Y414 V415	N413-G417 PolarHBondContact O-N 3.26Å; Y414-G417 PolarHBondContact O-N 2.81Å; V415-G417 VanDerWaalsContact C-N 3.33Å; V415-G417 PolarHBondContact O-N 3.42Å
418	N	98.5	Very high	98.5	Very high	51 Å²	51	27.3 Å²	27.3	27%	0.273	14%	0.138	S	C	.	.	H	α-helix	trans	-106.5	-19.8	179.2	-71.8	-90.9	0	0	0	113.2	Y414 V415 N416 N514	Y414-N418 VanDerWaalsContact CE2-ND2 3.28Å; Y414-N418 WeakPolarHBondContact CE2-ND2 3.32Å; Y414-N418 PolarHBondContact O-N 3.42Å; Y414-N418 PolarHBondContact O-ND2 3.04Å; V415-N418 PolarHBondContact O-N 3.45Å; N416-N418 VanDerWaalsContact C-N 3.32Å; N416-N418 PolarHBondContact O-N 3.16Å; N418-N514 WeakPolarHBondContact OD1-CB 3.49Å
419	M	98.6	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-134.1	48.5	-178.5	-57.2	-169.4	68.9	0	0	110.7	A132 K135 A136 L139 V415 N421 A422 V423 Y497 Y502	A132-M419 WeakPolarHBondContact O-CE 3.31Å; K135-M419 HydrophobicContact CB-CE 3.9Å; K135-M419 HydrophobicContact CB-SD 4.48Å; A136-M419 VanDerWaalsContact CA-SD 3.58Å; A136-M419 HydrophobicContact CB-CE 4.18Å; A136-M419 HydrophobicContact CB-SD 3.91Å; L139-M419 HydrophobicContact CD2-SD 4.37Å; V415-M419 HydrophobicContact CG1-CB 4.48Å; V415-M419 PolarHBondContact O-N 3.19Å; M419-N421 VanDerWaalsContact C-N 3.25Å; M419-N421 PolarHBondContact O-N 3.13Å; M419-N421 VanDerWaalsContact O-N 3.15Å; M419-A422 HydrophobicContact CB-CB 4.21Å; M419-A422 HydrophobicContact CE-CB 4.23Å; M419-A422 PolarHBondContact O-N 2.61Å; M419-V423 PolarHBondContact O-N 3.49Å; M419-Y497 VanDerWaalsContact C-OH 3.26Å; M419-Y497 WeakPolarHBondContact CA-OH 3.27Å; M419-Y497 HydrophobicContact CB-CE1 4.1Å; M419-Y497 HydrophobicContact CE-CD1 3.86Å; M419-Y497 HydrophobicContact CE-CD2 3.74Å; M419-Y497 HydrophobicContact CE-CE1 4.23Å; M419-Y497 HydrophobicContact CE-CE2 4.11Å; M419-Y497 HydrophobicContact CE-CG 3.6Å; M419-Y497 HydrophobicContact CG-CD1 4.35Å; M419-Y497 HydrophobicContact CG-CE1 4.09Å; M419-Y502 HydrophobicContact SD-CE2 3.73Å
420	E	98.1	Very high	98.3	Very high	71 Å²	71	30 Å²	30	33%	0.332	17%	0.166	S	C	.	.	H	α-helix	trans	-55.9	-33.1	-169.4	68.5	-176.4	-163.8	0	0	114.6	N416 G424	N416-E420 WeakPolarHBondContact O-CA 3.34Å; N416-E420 WeakPolarHBondContact O-CB 3.44Å; N416-E420 PolarHBondContact O-N 3.37Å; N416-E420 VanDerWaalsContact O-N 3.12Å; E420-G424 VanDerWaalsContact O-CA 3.26Å; E420-G424 WeakPolarHBondContact O-CA 3.42Å; E420-G424 PolarHBondContact O-N 2.95Å
421	N	98.4	Very high	98.1	Very high	26 Å²	26	29.6 Å²	29.6	14%	0.139	18%	0.176	C	C	.	.	H	α-helix	trans	-78.9	-38.9	177.7	-68.6	-32.5	0	0	0	111.8	M419 R425 I486 L493 E496 Y497	M419-N421 VanDerWaalsContact C-N 3.25Å; M419-N421 PolarHBondContact O-N 3.13Å; M419-N421 VanDerWaalsContact O-N 3.15Å; N421-R425 WeakPolarHBondContact O-CB 3.46Å; N421-R425 PolarHBondContact O-N 3.4Å; N421-I486 HydrophobicContact CB-CB 4.49Å; N421-I486 HydrophobicContact CB-CG2 3.86Å; N421-L493 HydrophobicContact CB-CD1 3.54Å; N421-E496 PolarHBondContact ND2-OE2 2.9Å; N421-Y497 PolarHBondContact N-OH 3.18Å
422	A	98.6	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.9	-44.1	176.6	0	0	0	0	0	111.4	A132 A136 M419 L426 Y497	A132-A422 HydrophobicContact CB-CB 4.45Å; A136-A422 HydrophobicContact CB-CB 4.36Å; M419-A422 HydrophobicContact CB-CB 4.21Å; M419-A422 HydrophobicContact CE-CB 4.23Å; M419-A422 PolarHBondContact O-N 2.61Å; A422-L426 WeakPolarHBondContact O-CG 3.25Å; A422-L426 PolarHBondContact O-N 3.28Å; A422-Y497 HydrophobicContact CB-CD2 4.44Å; A422-Y497 HydrophobicContact CB-CE2 3.79Å
423	V	98.8	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-73.3	-39	176.7	-178.6	0	0	0	0	111.2	L118 L122 A136 V415 N416 M419 R425 L426 Y427	L118-V423 HydrophobicContact CD1-CG1 4.27Å; L118-V423 HydrophobicContact CD2-CG1 3.52Å; L118-V423 HydrophobicContact CG-CG1 4.44Å; L122-V423 HydrophobicContact CD2-CG2 4.32Å; A136-V423 HydrophobicContact CB-CG2 4.48Å; V415-V423 HydrophobicContact CB-CG2 4.47Å; V415-V423 HydrophobicContact CG1-CG2 3.74Å; N416-V423 HydrophobicContact CB-CB 4.36Å; N416-V423 HydrophobicContact CB-CG1 3.94Å; N416-V423 WeakPolarHBondContact OD1-CG1 3.2Å; M419-V423 PolarHBondContact O-N 3.49Å; V423-R425 VanDerWaalsContact C-N 3.29Å; V423-R425 PolarHBondContact O-N 2.89Å; V423-L426 PolarHBondContact O-N 3.14Å; V423-Y427 WeakPolarHBondContact O-CB 3.37Å; V423-Y427 PolarHBondContact O-N 3.27Å
424	G	98.5	Very high	96.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.4	-42.8	173.9	0	0	0	0	0	112.3	E420 Y427 V428	E420-G424 VanDerWaalsContact O-CA 3.26Å; E420-G424 WeakPolarHBondContact O-CA 3.42Å; E420-G424 PolarHBondContact O-N 2.95Å; G424-Y427 PolarHBondContact O-N 2.97Å; G424-V428 WeakPolarHBondContact O-CG1 3.28Å; G424-V428 WeakPolarHBondContact O-CG2 3.43Å; G424-V428 PolarHBondContact O-N 3.41Å
425	R	98.4	Very high	95.7	Very high	34 Å²	34	37.2 Å²	37.2	13%	0.128	23%	0.234	C	C	.	.	H	α-helix	trans	-56.2	-54	173.2	-174.8	-162.2	174.7	114.2	-0.1	111.6	N421 V423 Y427 V428 E429 I486 V487 D490 L493	N421-R425 WeakPolarHBondContact O-CB 3.46Å; N421-R425 PolarHBondContact O-N 3.4Å; V423-R425 VanDerWaalsContact C-N 3.29Å; V423-R425 PolarHBondContact O-N 2.89Å; R425-Y427 VanDerWaalsContact C-N 3.26Å; R425-Y427 PolarHBondContact O-N 3.19Å; R425-V428 WeakPolarHBondContact O-CG2 3.3Å; R425-V428 PolarHBondContact O-N 3.07Å; R425-E429 IonicContact CZ-OE1 3.18Å; R425-E429 IonicContact NE-OE1 3.72Å; R425-E429 PolarHBondContact NE-OE1 3.42Å; R425-E429 IonicContact NH2-OE1 2.67Å; R425-E429 PolarHBondContact NH2-OE1 3.33Å; R425-E429 WeakPolarHBondContact O-CG 3.41Å; R425-E429 PolarHBondContact O-N 2.89Å; R425-E429 VanDerWaalsContact O-N 3.14Å; R425-I486 HydrophobicContact CB-CB 4.49Å; R425-I486 HydrophobicContact CB-CD1 4.33Å; R425-I486 HydrophobicContact CB-CG1 4.11Å; R425-I486 VanDerWaalsContact CD-O 3.24Å; R425-I486 WeakPolarHBondContact CD-O 3.23Å; R425-I486 WeakPolarHBondContact CG-O 3.28Å; R425-I486 PolarHBondContact NH1-O 3.22Å; R425-V487 HydrophobicContact CG-CG2 4.09Å; R425-V487 VanDerWaalsContact CZ-O 3.28Å; R425-V487 PolarHBondContact NH1-O 3.4Å; R425-V487 PolarHBondContact NH2-O 3.37Å; R425-D490 IonicContact CZ-OD1 3.63Å; R425-D490 IonicContact NH1-OD1 3.4Å; R425-D490 PolarHBondContact NH1-OD1 3.29Å; R425-D490 IonicContact NH2-OD1 2.78Å; R425-L493 HydrophobicContact CB-CD2 4.49Å
426	L	98.4	Very high	95.2	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.068	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-39.1	-179.8	-67.1	172.9	0	0	0	112	V121 L122 V133 A422 V423 A430	V121-L426 HydrophobicContact CB-CB 3.97Å; V121-L426 HydrophobicContact CB-CD1 4.44Å; V121-L426 HydrophobicContact CG2-CB 3.7Å; V121-L426 HydrophobicContact CG2-CD1 4.18Å; L122-L426 HydrophobicContact CD2-CD1 4.11Å; V133-L426 HydrophobicContact CG1-CD1 4.18Å; V133-L426 HydrophobicContact CG1-CD2 3.96Å; V133-L426 HydrophobicContact CG1-CG 4.48Å; V133-L426 HydrophobicContact CG2-CD2 4.2Å; V133-L426 HydrophobicContact CG2-CG 4.42Å; A422-L426 WeakPolarHBondContact O-CG 3.25Å; A422-L426 PolarHBondContact O-N 3.28Å; V423-L426 PolarHBondContact O-N 3.14Å; L426-A430 WeakPolarHBondContact O-CB 3.25Å; L426-A430 PolarHBondContact O-N 2.98Å
427	Y	98.6	Very high	94.8	Very high	7 Å²	7	39.1 Å²	39.1	3%	0.027	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-48	179.4	176.6	-101.8	0	0	0	112.2	L114 V117 L118 V423 G424 R425 E429 A430 A431 A540 A557 G558	L114-Y427 HydrophobicContact CD1-CD2 4.46Å; L114-Y427 HydrophobicContact CD1-CE1 4.38Å; L114-Y427 HydrophobicContact CD1-CE2 3.78Å; L114-Y427 HydrophobicContact CG-CD2 4.29Å; L114-Y427 HydrophobicContact CG-CE2 3.72Å; V117-Y427 HydrophobicContact CB-CD2 4.3Å; V117-Y427 HydrophobicContact CB-CE2 4.31Å; V117-Y427 HydrophobicContact CG1-CD2 3.85Å; V117-Y427 HydrophobicContact CG1-CE2 4.17Å; L118-Y427 HydrophobicContact CD2-CD2 4.12Å; V423-Y427 WeakPolarHBondContact O-CB 3.37Å; V423-Y427 PolarHBondContact O-N 3.27Å; G424-Y427 PolarHBondContact O-N 2.97Å; R425-Y427 VanDerWaalsContact C-N 3.26Å; R425-Y427 PolarHBondContact O-N 3.19Å; Y427-E429 PolarHBondContact O-N 2.88Å; Y427-A430 PolarHBondContact O-N 2.78Å; Y427-A430 VanDerWaalsContact O-N 3.14Å; Y427-A431 HydrophobicContact CD2-CB 4.29Å; Y427-A431 HydrophobicContact CE2-CB 3.86Å; Y427-A431 WeakPolarHBondContact O-CB 3.28Å; Y427-A431 PolarHBondContact O-N 2.95Å; Y427-A540 HydrophobicContact CD1-CB 3.9Å; Y427-A540 HydrophobicContact CD2-CB 4.23Å; Y427-A540 HydrophobicContact CG-CB 3.66Å; Y427-A557 HydrophobicContact CD1-CB 4.35Å; Y427-A557 HydrophobicContact CE1-CB 3.96Å; Y427-G558 WeakPolarHBondContact OH-CA 3.13Å
428	V	97.7	Very high	94.6	Very high	8 Å²	8	41.7 Å²	41.7	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-69.9	-33.8	-177.4	-61.3	0	0	0	0	112.5	G424 R425 A430 F432 Y482 V487 A539 A557	G424-V428 WeakPolarHBondContact O-CG1 3.28Å; G424-V428 WeakPolarHBondContact O-CG2 3.43Å; G424-V428 PolarHBondContact O-N 3.41Å; R425-V428 WeakPolarHBondContact O-CG2 3.3Å; R425-V428 PolarHBondContact O-N 3.07Å; V428-A430 PolarHBondContact O-N 3.08Å; V428-F432 HydrophobicContact CB-CB 3.97Å; V428-F432 HydrophobicContact CG1-CB 4.13Å; V428-F432 PolarHBondContact O-N 3.29Å; V428-Y482 HydrophobicContact CB-CD1 3.95Å; V428-Y482 HydrophobicContact CB-CE1 4.2Å; V428-Y482 HydrophobicContact CB-CG 4.33Å; V428-Y482 HydrophobicContact CG1-CD1 3.67Å; V428-Y482 HydrophobicContact CG1-CE1 4.4Å; V428-Y482 HydrophobicContact CG1-CG 3.93Å; V428-Y482 HydrophobicContact CG2-CD1 4.06Å; V428-Y482 HydrophobicContact CG2-CD2 4.16Å; V428-Y482 HydrophobicContact CG2-CE1 4.23Å; V428-Y482 HydrophobicContact CG2-CE2 4.33Å; V428-Y482 HydrophobicContact CG2-CG 4.04Å; V428-V487 HydrophobicContact CG2-CG2 3.9Å; V428-A539 HydrophobicContact CG1-CB 3.88Å; V428-A557 HydrophobicContact CG1-CB 3.75Å
429	E	96.2	Very high	94.4	Very high	105 Å²	105	41.9 Å²	41.9	49%	0.491	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-31.7	172	-73.2	175.8	178.5	0	0	112.1	R425 Y427	R425-E429 IonicContact CZ-OE1 3.18Å; R425-E429 IonicContact NE-OE1 3.72Å; R425-E429 PolarHBondContact NE-OE1 3.42Å; R425-E429 IonicContact NH2-OE1 2.67Å; R425-E429 PolarHBondContact NH2-OE1 3.33Å; R425-E429 WeakPolarHBondContact O-CG 3.41Å; R425-E429 PolarHBondContact O-N 2.89Å; R425-E429 VanDerWaalsContact O-N 3.14Å; Y427-E429 PolarHBondContact O-N 2.88Å
430	A	96.6	Very high	94.3	Very high	64 Å²	64	41.9 Å²	41.9	53%	0.529	24%	0.243	S	C	.	.	H	α-helix	trans	-90.6	-36.6	-177.8	0	0	0	0	0	114.2	V117 V121 L426 Y427 V428	V117-A430 HydrophobicContact CG1-CB 4.05Å; V121-A430 HydrophobicContact CG1-CB 3.88Å; L426-A430 WeakPolarHBondContact O-CB 3.25Å; L426-A430 PolarHBondContact O-N 2.98Å; Y427-A430 PolarHBondContact O-N 2.78Å; Y427-A430 VanDerWaalsContact O-N 3.14Å; V428-A430 PolarHBondContact O-N 3.08Å
431	A	95.3	Very high	94.2	Very high	51 Å²	51	41.9 Å²	41.9	42%	0.421	24%	0.243	S	C	.	.	H	α-helix	trans	-130.4	-6.3	-161.7	0	0	0	0	0	115.7	V117 Y427	V117-A431 HydrophobicContact CG1-CB 4.17Å; Y427-A431 HydrophobicContact CD2-CB 4.29Å; Y427-A431 HydrophobicContact CE2-CB 3.86Å; Y427-A431 WeakPolarHBondContact O-CB 3.28Å; Y427-A431 PolarHBondContact O-N 2.95Å
432	F	94.3	Very high	94.1	Very high	25 Å²	25	45 Å²	45	11%	0.11	26%	0.26	C	S	.	.			trans	-115.2	120.5	-175.6	-172.2	-108.5	0	0	0	112.7	V428 K437 Y482 A557 L560	V428-F432 HydrophobicContact CB-CB 3.97Å; V428-F432 HydrophobicContact CG1-CB 4.13Å; V428-F432 PolarHBondContact O-N 3.29Å; F432-K437 HydrophobicContact CE1-CB 4.48Å; F432-K437 HydrophobicContact CZ-CB 4.5Å; F432-Y482 HydrophobicContact CD1-CD1 4.05Å; F432-Y482 AromaticContact CD1-CE1 3.84Å; F432-Y482 HydrophobicContact CD1-CE1 3.84Å; F432-Y482 HydrophobicContact CE1-CD1 4.23Å; F432-Y482 HydrophobicContact CE1-CE1 4.04Å; F432-A557 HydrophobicContact CB-CB 4.11Å; F432-A557 HydrophobicContact CD1-CB 4.4Å; F432-A557 HydrophobicContact CD2-CB 3.63Å; F432-A557 HydrophobicContact CE2-CB 4.14Å; F432-A557 HydrophobicContact CG-CB 3.78Å; F432-L560 HydrophobicContact CE2-CB 3.91Å; F432-L560 HydrophobicContact CE2-CD1 3.82Å; F432-L560 HydrophobicContact CE2-CG 4.48Å; F432-L560 HydrophobicContact CZ-CD1 4Å
433	A	88.9	Confident	94.1	Very high	61 Å²	61	45.2 Å²	45.2	50%	0.504	26%	0.261	S	S	.	.			trans	-81.6	125.4	176	0	0	0	0	0	111.1	E435 S436	A433-E435 VanDerWaalsContact C-N 3.32Å; A433-E435 PolarHBondContact O-N 3.29Å; A433-S436 VanDerWaalsContact O-CB 3.23Å; A433-S436 WeakPolarHBondContact O-CB 3.02Å; A433-S436 PolarHBondContact O-N 2.88Å; A433-S436 PolarHBondContact O-OG 3.02Å
434	G	75.4	Confident	94.1	Very high	48 Å²	48	45.3 Å²	45.3	50%	0.495	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-38.3	-174.7	0	0	0	0	0	115.1	S436 K437	G434-S436 PolarHBondContact O-N 3.05Å; G434-K437 WeakPolarHBondContact O-CB 3.34Å; G434-K437 PolarHBondContact O-N 3.46Å; G434-K437 VanDerWaalsContact O-N 3.13Å
435	E	85.6	Confident	94.1	Very high	145 Å²	145	47.9 Å²	47.9	68%	0.678	28%	0.283	S	S	*	.	H	α-helix	trans	-62.7	-23.4	178.9	-64.8	-58.7	139.2	0	0	113.5	A433 K437 H438	A433-E435 VanDerWaalsContact C-N 3.32Å; A433-E435 PolarHBondContact O-N 3.29Å; E435-K437 PolarHBondContact O-N 3.3Å; E435-H438 PolarHBondContact O-N 2.9Å
436	S	88.9	Confident	94.1	Very high	18 Å²	18	48.3 Å²	48.3	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-29.3	176	-65.1	0	0	0	0	112.3	A433 G434 V440	A433-S436 VanDerWaalsContact O-CB 3.23Å; A433-S436 WeakPolarHBondContact O-CB 3.02Å; A433-S436 PolarHBondContact O-N 2.88Å; A433-S436 PolarHBondContact O-OG 3.02Å; G434-S436 PolarHBondContact O-N 3.05Å; S436-V440 VanDerWaalsContact O-CG2 3.24Å; S436-V440 WeakPolarHBondContact O-CG2 3.41Å; S436-V440 PolarHBondContact O-N 3.11Å
437	K	90.4	Very high	94.1	Very high	37 Å²	37	47.7 Å²	47.7	16%	0.161	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-48.9	179.4	-173.9	174.1	176.7	-176.8	0	111.2	F432 G434 E435 V439 V440 E441 I480 D484	F432-K437 HydrophobicContact CE1-CB 4.48Å; F432-K437 HydrophobicContact CZ-CB 4.5Å; G434-K437 WeakPolarHBondContact O-CB 3.34Å; G434-K437 PolarHBondContact O-N 3.46Å; G434-K437 VanDerWaalsContact O-N 3.13Å; E435-K437 PolarHBondContact O-N 3.3Å; K437-V439 PolarHBondContact O-N 3.49Å; K437-V440 PolarHBondContact O-N 2.88Å; K437-E441 WeakPolarHBondContact O-CG 3.25Å; K437-E441 PolarHBondContact O-N 3.08Å; K437-I480 HydrophobicContact CG-CB 4.43Å; K437-I480 HydrophobicContact CG-CG2 4.13Å; K437-D484 VanDerWaalsContact NZ-CG 3.31Å; K437-D484 IonicContact NZ-OD1 2.9Å; K437-D484 PolarHBondContact NZ-OD1 3Å; K437-D484 IonicContact NZ-OD2 3.14Å; K437-D484 PolarHBondContact NZ-OD2 2.68Å; K437-D484 VanDerWaalsContact NZ-OD2 3.09Å
438	H	92.8	Very high	94.2	Very high	111 Å²	111	48.5 Å²	48.5	51%	0.514	29%	0.286	S	S	.	.	H	α-helix	trans	-67.6	-35.9	-177.4	-67.2	-46.7	0	0	0	113.9	E435 V440 E441 D442	E435-H438 PolarHBondContact O-N 2.9Å; H438-V440 VanDerWaalsContact C-N 3.33Å; H438-E441 IonicContact CE1-OE2 3.44Å; H438-E441 IonicContact CG-OE2 3.65Å; H438-E441 IonicContact ND1-OE2 3.73Å; H438-E441 PolarHBondContact ND1-OE2 2.89Å; H438-E441 PolarHBondContact O-N 2.8Å; H438-D442 PolarHBondContact O-N 3.23Å
439	V	94.4	Very high	94.2	Very high	56 Å²	56	53.5 Å²	53.5	34%	0.339	31%	0.309	S	S	.	.	H	α-helix	trans	-67.7	-38.2	177	-178.1	0	0	0	0	110.8	K437 D442 L443 F565 A567	K437-V439 PolarHBondContact O-N 3.49Å; V439-D442 PolarHBondContact O-N 2.9Å; V439-L443 WeakPolarHBondContact O-CG 3.24Å; V439-L443 PolarHBondContact O-N 3.42Å; V439-L443 VanDerWaalsContact O-N 3.12Å; V439-F565 HydrophobicContact CB-CE2 4.21Å; V439-F565 HydrophobicContact CB-CZ 3.8Å; V439-F565 HydrophobicContact CG1-CE2 3.64Å; V439-F565 HydrophobicContact CG1-CZ 3.71Å; V439-A567 HydrophobicContact CG2-CB 4.4Å
440	V	95.8	Very high	94.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-73.6	-35.8	178.8	175.4	0	0	0	0	111.3	S436 K437 H438 D442 L443 I444 I480 L560 F565 I582	S436-V440 VanDerWaalsContact O-CG2 3.24Å; S436-V440 WeakPolarHBondContact O-CG2 3.41Å; S436-V440 PolarHBondContact O-N 3.11Å; K437-V440 PolarHBondContact O-N 2.88Å; H438-V440 VanDerWaalsContact C-N 3.33Å; V440-D442 VanDerWaalsContact C-N 3.3Å; V440-D442 PolarHBondContact O-N 2.96Å; V440-L443 PolarHBondContact O-N 3.02Å; V440-I444 HydrophobicContact CG1-CD1 3.95Å; V440-I444 HydrophobicContact CG1-CG1 4.48Å; V440-I444 WeakPolarHBondContact O-CG1 3.39Å; V440-I444 PolarHBondContact O-N 3.45Å; V440-I480 HydrophobicContact CB-CG2 3.95Å; V440-I480 HydrophobicContact CG1-CG2 3.75Å; V440-L560 HydrophobicContact CG1-CD2 4.08Å; V440-L560 HydrophobicContact CG2-CD1 4.29Å; V440-L560 HydrophobicContact CG2-CD2 3.95Å; V440-F565 HydrophobicContact CG2-CD1 4.19Å; V440-F565 HydrophobicContact CG2-CD2 4.14Å; V440-F565 HydrophobicContact CG2-CE1 4.11Å; V440-F565 HydrophobicContact CG2-CE2 4.04Å; V440-F565 HydrophobicContact CG2-CG 4.21Å; V440-F565 HydrophobicContact CG2-CZ 4.03Å; V440-I582 HydrophobicContact CG1-CD1 4.49Å
441	E	96.1	Very high	94.4	Very high	70 Å²	70	45.7 Å²	45.7	33%	0.327	26%	0.262	S	S	.	.	H	α-helix	trans	-53.3	-47.5	169.7	-76.6	167.7	176.6	0	0	111.3	K437 H438 I444 A445 I480	K437-E441 WeakPolarHBondContact O-CG 3.25Å; K437-E441 PolarHBondContact O-N 3.08Å; H438-E441 IonicContact CE1-OE2 3.44Å; H438-E441 IonicContact CG-OE2 3.65Å; H438-E441 IonicContact ND1-OE2 3.73Å; H438-E441 PolarHBondContact ND1-OE2 2.89Å; H438-E441 PolarHBondContact O-N 2.8Å; E441-I444 PolarHBondContact O-N 3.07Å; E441-A445 PolarHBondContact O-N 3.31Å; E441-I480 HydrophobicContact CB-CD1 4.09Å; E441-I480 HydrophobicContact CG-CD1 3.23Å
442	D	97.5	Very high	94.6	Very high	91 Å²	91	44.7 Å²	44.7	49%	0.487	25%	0.249	S	C	.	.	H	α-helix	trans	-65.9	-41.8	178.3	-174.9	65.7	0	0	0	112.5	H438 V439 V440 I444 A445 Q446	H438-D442 PolarHBondContact O-N 3.23Å; V439-D442 PolarHBondContact O-N 2.9Å; V440-D442 VanDerWaalsContact C-N 3.3Å; V440-D442 PolarHBondContact O-N 2.96Å; D442-I444 VanDerWaalsContact C-N 3.32Å; D442-I444 PolarHBondContact O-N 3.07Å; D442-A445 PolarHBondContact O-N 3.42Å; D442-Q446 VanDerWaalsContact O-CG 3.32Å; D442-Q446 WeakPolarHBondContact O-CG 3.35Å; D442-Q446 PolarHBondContact O-N 3.42Å; D442-Q446 PolarHBondContact OD2-NE2 3.34Å
443	L	98.1	Very high	94.8	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-40.8	174.7	-72.2	174.3	0	0	0	112.2	V439 V440 Q446 I447 F565 Y575 I578 I582	V439-L443 WeakPolarHBondContact O-CG 3.24Å; V439-L443 PolarHBondContact O-N 3.42Å; V439-L443 VanDerWaalsContact O-N 3.12Å; V440-L443 PolarHBondContact O-N 3.02Å; L443-Q446 PolarHBondContact O-N 3.05Å; L443-I447 WeakPolarHBondContact O-CB 3.4Å; L443-I447 WeakPolarHBondContact O-CD1 3.34Å; L443-I447 VanDerWaalsContact O-CG1 3.27Å; L443-I447 WeakPolarHBondContact O-CG1 3.44Å; L443-I447 PolarHBondContact O-N 2.68Å; L443-F565 HydrophobicContact CD1-CD2 4.34Å; L443-F565 HydrophobicContact CD1-CE2 4.29Å; L443-Y575 HydrophobicContact CD2-CD1 4.2Å; L443-Y575 HydrophobicContact CD2-CE1 3.6Å; L443-Y575 HydrophobicContact CD2-CE2 4.05Å; L443-I578 HydrophobicContact CD1-CG2 3.87Å; L443-I582 HydrophobicContact CB-CD1 3.96Å
444	I	98.5	Very high	95.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-44.6	176.7	-69.1	162.4	0	0	0	110.9	V440 E441 D442 Q446 I447 R448 E478 I480 I553 F555 I582	V440-I444 HydrophobicContact CG1-CD1 3.95Å; V440-I444 HydrophobicContact CG1-CG1 4.48Å; V440-I444 WeakPolarHBondContact O-CG1 3.39Å; V440-I444 PolarHBondContact O-N 3.45Å; E441-I444 PolarHBondContact O-N 3.07Å; D442-I444 VanDerWaalsContact C-N 3.32Å; D442-I444 PolarHBondContact O-N 3.07Å; I444-Q446 VanDerWaalsContact C-N 3.34Å; I444-Q446 PolarHBondContact O-N 3.41Å; I444-I447 PolarHBondContact O-N 3.25Å; I444-R448 VanDerWaalsContact O-CB 3.3Å; I444-R448 WeakPolarHBondContact O-CB 3.38Å; I444-R448 PolarHBondContact O-N 2.76Å; I444-E478 HydrophobicContact CD1-CB 4.29Å; I444-E478 HydrophobicContact CG2-CB 4.19Å; I444-E478 HydrophobicContact CG2-CG 4.46Å; I444-I480 HydrophobicContact CD1-CD1 3.48Å; I444-I480 VanDerWaalsContact CD1-CD1 3.48Å; I444-I480 HydrophobicContact CD1-CG1 3.63Å; I444-I553 HydrophobicContact CG2-CD1 4.06Å; I444-F555 HydrophobicContact CD1-CD2 3.7Å; I444-F555 HydrophobicContact CD1-CE2 3.63Å; I444-F555 HydrophobicContact CG1-CE2 4.06Å; I444-I582 HydrophobicContact CB-CG2 4.36Å; I444-I582 HydrophobicContact CG1-CD1 3.7Å; I444-I582 HydrophobicContact CG1-CG1 3.85Å; I444-I582 HydrophobicContact CG1-CG2 3.81Å
445	A	98.6	Very high	96.4	Very high	54 Å²	54	42.9 Å²	42.9	45%	0.446	22%	0.218	S	C	.	.	H	α-helix	trans	-58.7	-46.6	177.1	0	0	0	0	0	111.4	E441 D442 R448 E449	E441-A445 PolarHBondContact O-N 3.31Å; D442-A445 PolarHBondContact O-N 3.42Å; A445-R448 PolarHBondContact O-N 3.21Å; A445-E449 WeakPolarHBondContact O-CB 3.48Å; A445-E449 PolarHBondContact O-N 3.47Å
446	Q	98.7	Very high	96.9	Very high	44 Å²	44	42.1 Å²	42.1	21%	0.206	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-44	178.5	-68.5	179.3	47.2	0	0	112.9	D442 L443 I444 E449 V450 Y575	D442-Q446 VanDerWaalsContact O-CG 3.32Å; D442-Q446 WeakPolarHBondContact O-CG 3.35Å; D442-Q446 PolarHBondContact O-N 3.42Å; D442-Q446 PolarHBondContact OD2-NE2 3.34Å; L443-Q446 PolarHBondContact O-N 3.05Å; I444-Q446 VanDerWaalsContact C-N 3.34Å; I444-Q446 PolarHBondContact O-N 3.41Å; Q446-E449 PolarHBondContact O-N 3.13Å; Q446-V450 WeakPolarHBondContact O-CG2 3.43Å; Q446-V450 PolarHBondContact O-N 3.41Å; Q446-Y575 PolarHBondContact NE2-OH 3.35Å; Q446-Y575 PolarHBondContact OE1-OH 2.85Å
447	I	98.9	Very high	97.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-72	-36.7	-177.4	-66.9	162.5	0	0	0	110.9	L443 I444 E449 V450 F451 G579 I582 I586 Q657 A661	L443-I447 WeakPolarHBondContact O-CB 3.4Å; L443-I447 WeakPolarHBondContact O-CD1 3.34Å; L443-I447 VanDerWaalsContact O-CG1 3.27Å; L443-I447 WeakPolarHBondContact O-CG1 3.44Å; L443-I447 PolarHBondContact O-N 2.68Å; I444-I447 PolarHBondContact O-N 3.25Å; I447-E449 VanDerWaalsContact C-N 3.34Å; I447-V450 PolarHBondContact O-N 2.98Å; I447-F451 PolarHBondContact O-N 3.49Å; I447-G579 VanDerWaalsContact CD1-CA 3.49Å; I447-G579 WeakPolarHBondContact CD1-O 3.36Å; I447-I582 HydrophobicContact CB-CG2 3.95Å; I447-I582 HydrophobicContact CD1-CB 3.77Å; I447-I582 HydrophobicContact CD1-CD1 4.09Å; I447-I582 HydrophobicContact CD1-CG2 3.69Å; I447-I582 HydrophobicContact CG1-CG2 4.44Å; I447-I582 HydrophobicContact CG2-CG2 3.98Å; I447-I586 HydrophobicContact CG2-CD1 4.1Å; I447-Q657 HydrophobicContact CG2-CB 4.15Å; I447-A661 HydrophobicContact CG1-CB 3.98Å
448	R	98.8	Very high	97.7	Very high	24 Å²	24	45 Å²	45	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-44	170.8	-174.5	-171.8	-58.1	-132.9	10.6	111.5	I444 A445 V450 F451 I452 A473 L474 I476 E478 I586	I444-R448 VanDerWaalsContact O-CB 3.3Å; I444-R448 WeakPolarHBondContact O-CB 3.38Å; I444-R448 PolarHBondContact O-N 2.76Å; A445-R448 PolarHBondContact O-N 3.21Å; R448-V450 VanDerWaalsContact C-N 3.33Å; R448-V450 PolarHBondContact O-N 2.71Å; R448-F451 WeakPolarHBondContact O-CB 3.46Å; R448-F451 PolarHBondContact O-N 2.73Å; R448-I452 HydrophobicContact CG-CD1 4.24Å; R448-I452 WeakPolarHBondContact O-CG1 3.38Å; R448-I452 PolarHBondContact O-N 2.84Å; R448-A473 WeakPolarHBondContact CD-O 3.27Å; R448-A473 PolarHBondContact NH1-O 2.86Å; R448-L474 PolarHBondContact NH1-O 3.03Å; R448-I476 VanDerWaalsContact CZ-O 3.28Å; R448-I476 PolarHBondContact NH1-O 2.82Å; R448-I476 PolarHBondContact NH2-O 3.05Å; R448-E478 IonicContact CZ-OE2 3.59Å; R448-E478 IonicContact NH2-OE2 3.16Å; R448-E478 PolarHBondContact NH2-OE2 2.81Å; R448-I586 HydrophobicContact CB-CD1 4.16Å
449	E	98.8	Very high	98	Very high	112 Å²	112	46.5 Å²	46.5	52%	0.523	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-44.8	176	-169.8	-175.4	171.9	0	0	111	A445 Q446 I447 F451 I452 Q453	A445-E449 WeakPolarHBondContact O-CB 3.48Å; A445-E449 PolarHBondContact O-N 3.47Å; Q446-E449 PolarHBondContact O-N 3.13Å; I447-E449 VanDerWaalsContact C-N 3.34Å; E449-F451 VanDerWaalsContact C-N 3.34Å; E449-F451 PolarHBondContact O-N 2.69Å; E449-I452 PolarHBondContact O-N 3.48Å; E449-Q453 HydrophobicContact CG-CG 4.46Å; E449-Q453 WeakPolarHBondContact O-CB 3.42Å; E449-Q453 VanDerWaalsContact O-CG 3.29Å; E449-Q453 WeakPolarHBondContact O-CG 3.4Å; E449-Q453 PolarHBondContact O-N 3.46Å; E449-Q453 PolarHBondContact OE1-NE2 2.99Å
450	V	98.8	Very high	98.2	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-39.1	176	167	0	0	0	0	112.3	Q446 I447 R448 Q453 T454 Q657 R660 A661	Q446-V450 WeakPolarHBondContact O-CG2 3.43Å; Q446-V450 PolarHBondContact O-N 3.41Å; I447-V450 PolarHBondContact O-N 2.98Å; R448-V450 VanDerWaalsContact C-N 3.33Å; R448-V450 PolarHBondContact O-N 2.71Å; V450-Q453 PolarHBondContact O-N 3.25Å; V450-T454 WeakPolarHBondContact O-CB 3.37Å; V450-T454 PolarHBondContact O-N 3.38Å; V450-T454 PolarHBondContact O-OG1 3.2Å; V450-Q657 HydrophobicContact CG1-CB 4.25Å; V450-Q657 WeakPolarHBondContact CG1-O 3.47Å; V450-R660 HydrophobicContact CG1-CB 3.6Å; V450-A661 HydrophobicContact CG2-CB 3.96Å
451	F	98.9	Very high	98.3	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-57.9	-49.7	173.8	177.8	-89.8	0	0	0	110.7	I447 R448 E449 T454 L455 A473 I586 F590 W750	I447-F451 PolarHBondContact O-N 3.49Å; R448-F451 WeakPolarHBondContact O-CB 3.46Å; R448-F451 PolarHBondContact O-N 2.73Å; E449-F451 VanDerWaalsContact C-N 3.34Å; E449-F451 PolarHBondContact O-N 2.69Å; F451-T454 WeakPolarHBondContact O-CB 3.24Å; F451-T454 PolarHBondContact O-N 2.93Å; F451-L455 HydrophobicContact CE1-CD1 4.43Å; F451-L455 HydrophobicContact CE1-CD2 4.13Å; F451-L455 HydrophobicContact CE1-CG 4.47Å; F451-L455 HydrophobicContact CZ-CD2 4.27Å; F451-L455 PolarHBondContact O-N 3.09Å; F451-A473 HydrophobicContact CD1-CB 3.74Å; F451-A473 HydrophobicContact CE1-CB 3.87Å; F451-I586 HydrophobicContact CB-CG2 4.35Å; F451-I586 HydrophobicContact CD2-CG2 4.14Å; F451-I586 HydrophobicContact CG-CG2 4.09Å; F451-F590 HydrophobicContact CD1-CE2 4.33Å; F451-F590 AromaticContact CE1-CD2 3.89Å; F451-F590 HydrophobicContact CE1-CD2 3.89Å; F451-F590 HydrophobicContact CE1-CE1 4.17Å; F451-F590 AromaticContact CE1-CE2 3.47Å; F451-F590 HydrophobicContact CE1-CE2 3.47Å; F451-F590 VanDerWaalsContact CE1-CE2 3.47Å; F451-F590 HydrophobicContact CE1-CG 4.41Å; F451-F590 AromaticContact CE1-CZ 3.62Å; F451-F590 HydrophobicContact CE1-CZ 3.62Å; F451-F590 AromaticContact CE2-CD2 3.82Å; F451-F590 HydrophobicContact CE2-CD2 3.82Å; F451-F590 HydrophobicContact CE2-CE2 4.18Å; F451-F590 HydrophobicContact CE2-CG 4.33Å; F451-F590 HydrophobicContact CZ-CB 4.35Å; F451-F590 HydrophobicContact CZ-CD1 4.03Å; F451-F590 AromaticContact CZ-CD2 3.27Å; F451-F590 HydrophobicContact CZ-CD2 3.27Å; F451-F590 HydrophobicContact CZ-CE1 4.13Å; F451-F590 AromaticContact CZ-CE2 3.38Å; F451-F590 HydrophobicContact CZ-CE2 3.38Å; F451-F590 AromaticContact CZ-CG 3.62Å; F451-F590 HydrophobicContact CZ-CG 3.62Å; F451-F590 AromaticContact CZ-CZ 3.82Å; F451-F590 HydrophobicContact CZ-CZ 3.82Å; F451-W750 HydrophobicContact CE2-CD2 4.27Å; F451-W750 AromaticContact CE2-CE3 4Å; F451-W750 HydrophobicContact CE2-CE3 4Å; F451-W750 AromaticContact CZ-CE3 4Å; F451-W750 HydrophobicContact CZ-CE3 4Å; F451-W750 HydrophobicContact CZ-CZ3 4.18Å
452	I	98.8	Very high	98.4	Very high	30 Å²	30	44.4 Å²	44.4	15%	0.154	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-46.8	179.8	-66.1	166.2	0	0	0	111	R448 E449 T454 L455 E470 A473 L474	R448-I452 HydrophobicContact CG-CD1 4.24Å; R448-I452 WeakPolarHBondContact O-CG1 3.38Å; R448-I452 PolarHBondContact O-N 2.84Å; E449-I452 PolarHBondContact O-N 3.48Å; I452-T454 PolarHBondContact O-N 3.4Å; I452-L455 VanDerWaalsContact O-CB 3.28Å; I452-L455 WeakPolarHBondContact O-CB 3.32Å; I452-L455 WeakPolarHBondContact O-CG 3.3Å; I452-L455 PolarHBondContact O-N 3.49Å; I452-L455 VanDerWaalsContact O-N 3.1Å; I452-E470 HydrophobicContact CG1-CG 4.45Å; I452-E470 HydrophobicContact CG2-CB 4.45Å; I452-E470 HydrophobicContact CG2-CG 3.81Å; I452-A473 HydrophobicContact CD1-CB 4.26Å; I452-A473 HydrophobicContact CG1-CB 3.91Å; I452-L474 HydrophobicContact CD1-CD2 3.6Å; I452-L474 HydrophobicContact CD1-CG 3.83Å
453	Q	98.6	Very high	98.5	Very high	87 Å²	87	44 Å²	44	41%	0.407	25%	0.248	S	C	.	.	H	α-helix	trans	-58.5	-37.6	176.4	-72	172.8	2.5	0	0	112	E449 V450 L455 D456	E449-Q453 HydrophobicContact CG-CG 4.46Å; E449-Q453 WeakPolarHBondContact O-CB 3.42Å; E449-Q453 VanDerWaalsContact O-CG 3.29Å; E449-Q453 WeakPolarHBondContact O-CG 3.4Å; E449-Q453 PolarHBondContact O-N 3.46Å; E449-Q453 PolarHBondContact OE1-NE2 2.99Å; V450-Q453 PolarHBondContact O-N 3.25Å; Q453-L455 PolarHBondContact O-N 2.87Å; Q453-D456 PolarHBondContact O-N 3.08Å
454	T	98.4	Very high	98.5	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-26.7	-179.6	-58.3	0	0	0	0	112	V450 F451 I452 D456 D457 L458 R660 W750	V450-T454 WeakPolarHBondContact O-CB 3.37Å; V450-T454 PolarHBondContact O-N 3.38Å; V450-T454 PolarHBondContact O-OG1 3.2Å; F451-T454 WeakPolarHBondContact O-CB 3.24Å; F451-T454 PolarHBondContact O-N 2.93Å; I452-T454 PolarHBondContact O-N 3.4Å; T454-D456 PolarHBondContact O-N 3.15Å; T454-D457 PolarHBondContact O-N 3.39Å; T454-L458 HydrophobicContact CG2-CD2 4.25Å; T454-L458 WeakPolarHBondContact O-CG 3.47Å; T454-L458 PolarHBondContact O-N 3.34Å; T454-R660 PolarHBondContact OG1-NE 3.03Å; T454-R660 PolarHBondContact OG1-NH2 3.49Å; T454-W750 WeakPolarHBondContact CG2-OXT 3.41Å
455	L	98.2	Very high	98.5	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-56.4	-36.7	179.6	-62.7	175.6	0	0	0	111.7	F451 I452 Q453 D457 L458 K466 A469 E470 W750	F451-L455 HydrophobicContact CE1-CD1 4.43Å; F451-L455 HydrophobicContact CE1-CD2 4.13Å; F451-L455 HydrophobicContact CE1-CG 4.47Å; F451-L455 HydrophobicContact CZ-CD2 4.27Å; F451-L455 PolarHBondContact O-N 3.09Å; I452-L455 VanDerWaalsContact O-CB 3.28Å; I452-L455 WeakPolarHBondContact O-CB 3.32Å; I452-L455 WeakPolarHBondContact O-CG 3.3Å; I452-L455 PolarHBondContact O-N 3.49Å; I452-L455 VanDerWaalsContact O-N 3.1Å; Q453-L455 PolarHBondContact O-N 2.87Å; L455-D457 VanDerWaalsContact C-N 3.3Å; L455-D457 PolarHBondContact O-N 3.01Å; L455-L458 HydrophobicContact CD2-CD1 4.12Å; L455-L458 PolarHBondContact O-N 3.4Å; L455-K466 HydrophobicContact CB-CG 4.48Å; L455-K466 WeakPolarHBondContact O-CD 3.42Å; L455-K466 WeakPolarHBondContact O-CE 3.28Å; L455-K466 PolarHBondContact O-NZ 2.82Å; L455-A469 HydrophobicContact CD1-CB 3.98Å; L455-A469 HydrophobicContact CD2-CB 4.09Å; L455-E470 HydrophobicContact CD1-CB 4.03Å; L455-W750 HydrophobicContact CD2-CE3 4.41Å; L455-W750 HydrophobicContact CD2-CZ3 3.98Å
456	D	97.8	Very high	98.5	Very high	129 Å²	129	47.6 Å²	47.6	69%	0.69	26%	0.255	S	S	*	.	H	α-helix	trans	-62.4	-37.9	178.3	-73.8	-22.5	0	0	0	112.2	Q453 T454 L458 K466	Q453-D456 PolarHBondContact O-N 3.08Å; T454-D456 PolarHBondContact O-N 3.15Å; D456-L458 VanDerWaalsContact C-N 3.32Å; D456-L458 PolarHBondContact O-N 3.03Å; D456-K466 PolarHBondContact O-NZ 3.47Å
457	D	97.8	Very high	98.5	Very high	112 Å²	112	51.6 Å²	51.6	60%	0.599	27%	0.272	S	S	*	.	H	α-helix	trans	-75.5	-16.6	179.9	-65.4	-23.8	0	0	0	113.5	T454 L455 T459	T454-D457 PolarHBondContact O-N 3.39Å; L455-D457 VanDerWaalsContact C-N 3.3Å; L455-D457 PolarHBondContact O-N 3.01Å; D457-T459 PolarHBondContact O-N 2.97Å; D457-T459 VanDerWaalsContact O-N 3.15Å
458	L	97.8	Very high	98.5	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	29%	0.286	C	S	.	.			trans	-73.6	105.7	-179.7	-60.6	-176.4	0	0	0	110.9	T454 L455 D456 W460 M461 K466 W750	T454-L458 HydrophobicContact CG2-CD2 4.25Å; T454-L458 WeakPolarHBondContact O-CG 3.47Å; T454-L458 PolarHBondContact O-N 3.34Å; L455-L458 HydrophobicContact CD2-CD1 4.12Å; L455-L458 PolarHBondContact O-N 3.4Å; D456-L458 VanDerWaalsContact C-N 3.32Å; D456-L458 PolarHBondContact O-N 3.03Å; L458-W460 VanDerWaalsContact C-N 3.27Å; L458-W460 HydrophobicContact CD1-CZ2 4.02Å; L458-W460 PolarHBondContact O-N 2.77Å; L458-M461 HydrophobicContact CD1-SD 3.87Å; L458-K466 WeakPolarHBondContact O-CE 3.38Å; L458-K466 PolarHBondContact O-NZ 3.32Å; L458-W750 HydrophobicContact CD1-CE3 3.74Å; L458-W750 HydrophobicContact CD1-CZ3 3.96Å
459	T	98.3	Very high	98.5	Very high	142 Å²	142	54.1 Å²	54.1	87%	0.871	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.9	-177.9	55.9	0	0	0	0	114.1	D457	D457-T459 PolarHBondContact O-N 2.97Å; D457-T459 VanDerWaalsContact O-N 3.15Å
460	W	98.6	Very high	98.5	Very high	19 Å²	19	52.7 Å²	52.7	7%	0.072	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.1	-173.7	64	-96.9	0	0	0	113.6	L458 W607 N614 F615 Q618 V749 W750	L458-W460 VanDerWaalsContact C-N 3.27Å; L458-W460 HydrophobicContact CD1-CZ2 4.02Å; L458-W460 PolarHBondContact O-N 2.77Å; W460-W607 HydrophobicContact CH2-CH2 4.01Å; W460-W607 HydrophobicContact CH2-CZ3 4.05Å; W460-W607 HydrophobicContact CZ3-CH2 4.21Å; W460-W607 AromaticContact CZ3-CZ3 3.78Å; W460-W607 HydrophobicContact CZ3-CZ3 3.78Å; W460-N614 HydrophobicContact CB-CB 4.28Å; W460-N614 HydrophobicContact CE3-CB 3.95Å; W460-N614 VanDerWaalsContact O-CB 3.28Å; W460-N614 WeakPolarHBondContact O-CB 3.36Å; W460-N614 PolarHBondContact O-ND2 3.08Å; W460-F615 HydrophobicContact CH2-CB 4.35Å; W460-F615 AromaticContact CH2-CD2 3.84Å; W460-F615 HydrophobicContact CH2-CD2 3.84Å; W460-F615 HydrophobicContact CZ3-CB 3.8Å; W460-F615 HydrophobicContact CZ3-CD2 4.16Å; W460-Q618 HydrophobicContact CB-CG 4.32Å; W460-Q618 HydrophobicContact CD2-CG 4.07Å; W460-Q618 HydrophobicContact CG-CG 3.92Å; W460-V749 HydrophobicContact CH2-CG1 4.23Å; W460-V749 HydrophobicContact CZ2-CG1 3.92Å; W460-V749 VanDerWaalsContact CZ2-O 3.28Å; W460-V749 WeakPolarHBondContact CZ2-O 3.43Å; W460-V749 PolarHBondContact NE1-O 3.28Å; W460-W750 AromaticContact CH2-CH2 3.94Å; W460-W750 HydrophobicContact CH2-CH2 3.94Å; W460-W750 HydrophobicContact CH2-CZ2 4.12Å; W460-W750 HydrophobicContact CH2-CZ3 4.29Å; W460-W750 HydrophobicContact CZ2-CE3 4.37Å; W460-W750 HydrophobicContact CZ2-CH2 4.3Å; W460-W750 HydrophobicContact CZ2-CZ2 4.49Å; W460-W750 HydrophobicContact CZ2-CZ3 4.23Å
461	M	98.3	Very high	98.5	Very high	13 Å²	13	56.6 Å²	56.6	6%	0.064	29%	0.292	C	S	.	.	S	Bend	trans	-113.6	142.1	176.4	-64.9	174.1	71.1	0	0	111.5	L458 T465 K466 A469 W607 W750	L458-M461 HydrophobicContact CD1-SD 3.87Å; M461-T465 HydrophobicContact CE-CG2 3.6Å; M461-K466 HydrophobicContact CB-CG 3.85Å; M461-K466 HydrophobicContact CE-CG 4.39Å; M461-K466 VanDerWaalsContact O-CE 3.24Å; M461-K466 WeakPolarHBondContact O-CE 3.47Å; M461-A469 HydrophobicContact CE-CB 4.19Å; M461-W607 HydrophobicContact CE-CH2 4Å; M461-W607 HydrophobicContact CE-CZ3 4Å; M461-W750 HydrophobicContact CE-CH2 4.25Å; M461-W750 HydrophobicContact CE-CZ3 4.3Å; M461-W750 HydrophobicContact SD-CH2 4.02Å; M461-W750 HydrophobicContact SD-CZ3 3.75Å
462	D	98.6	Very high	98.5	Very high	49 Å²	49	56.6 Å²	56.6	26%	0.262	29%	0.293	S	S	.	.			trans	-75.6	160.5	168.1	59	64.3	0	0	0	112.4	E464 T465 K466 T608 S611	D462-E464 PolarHBondContact O-N 3.45Å; D462-E464 WeakPolarHBondContact OD1-CB 3.27Å; D462-E464 PolarHBondContact OD1-N 2.82Å; D462-T465 PolarHBondContact O-N 2.97Å; D462-T465 WeakPolarHBondContact OD1-CB 3.49Å; D462-T465 PolarHBondContact OD1-N 2.92Å; D462-T465 PolarHBondContact OD1-OG1 3.25Å; D462-T465 PolarHBondContact OD2-OG1 2.88Å; D462-K466 WeakPolarHBondContact O-CG 3.15Å; D462-K466 PolarHBondContact O-N 3.29Å; D462-T608 WeakPolarHBondContact OD2-CB 3.38Å; D462-T608 WeakPolarHBondContact OD2-CG2 3.49Å; D462-T608 PolarHBondContact OD2-OG1 2.87Å; D462-S611 VanDerWaalsContact CG-OG 3.25Å; D462-S611 PolarHBondContact N-OG 3.28Å; D462-S611 PolarHBondContact OD2-OG 3.35Å
463	A	98.6	Very high	98.5	Very high	82 Å²	82	55.2 Å²	55.2	68%	0.678	29%	0.285	S	S	*	.	H	α-helix	trans	-61.4	-30.9	-177.3	0	0	0	0	0	113.5	K467	A463-K467 PolarHBondContact O-N 3.25Å; A463-K467 VanDerWaalsContact O-N 3.07Å
464	E	98.5	Very high	98.5	Very high	107 Å²	107	56.1 Å²	56.1	50%	0.5	29%	0.292	S	S	.	.	H	α-helix	trans	-67.6	-45.3	179.7	-171.4	-172	146.3	0	0	111.1	D462 R468 T608	D462-E464 PolarHBondContact O-N 3.45Å; D462-E464 WeakPolarHBondContact OD1-CB 3.27Å; D462-E464 PolarHBondContact OD1-N 2.82Å; E464-R468 PolarHBondContact O-N 3.5Å; E464-R468 IonicContact OE1-CZ 3.81Å; E464-R468 IonicContact OE1-NH1 3.59Å; E464-R468 PolarHBondContact OE1-NH1 3.47Å; E464-R468 IonicContact OE1-NH2 2.74Å; E464-R468 PolarHBondContact OE1-NH2 3.26Å; E464-T608 HydrophobicContact CB-CG2 4.5Å
465	T	98.7	Very high	98.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-70.6	-38.8	177.7	-50.6	0	0	0	0	111.2	M461 D462 K467 R468 A469 W606 W607 T608 S611	M461-T465 HydrophobicContact CE-CG2 3.6Å; D462-T465 PolarHBondContact O-N 2.97Å; D462-T465 WeakPolarHBondContact OD1-CB 3.49Å; D462-T465 PolarHBondContact OD1-N 2.92Å; D462-T465 PolarHBondContact OD1-OG1 3.25Å; D462-T465 PolarHBondContact OD2-OG1 2.88Å; T465-K467 PolarHBondContact O-N 3.22Å; T465-R468 PolarHBondContact O-N 3.26Å; T465-A469 PolarHBondContact O-N 3.21Å; T465-W606 HydrophobicContact CG2-CE3 4.47Å; T465-W606 HydrophobicContact CG2-CZ3 4.13Å; T465-W607 HydrophobicContact CG2-CB 4.44Å; T465-W607 HydrophobicContact CG2-CD2 3.73Å; T465-W607 HydrophobicContact CG2-CE3 3.47Å; T465-W607 VanDerWaalsContact CG2-CE3 3.47Å; T465-W607 HydrophobicContact CG2-CG 4.19Å; T465-W607 HydrophobicContact CG2-CZ3 3.89Å; T465-T608 PolarHBondContact OG1-N 2.91Å; T465-S611 WeakPolarHBondContact OG1-CB 3.25Å; T465-S611 PolarHBondContact OG1-OG 3.48Å
466	K	98.8	Very high	98.5	Very high	31 Å²	31	57.5 Å²	57.5	14%	0.135	30%	0.304	C	S	.	.	H	α-helix	trans	-57.3	-46.2	173.8	-72.8	179.6	-176.1	-158.5	0	112	L455 D456 L458 M461 D462 R468 A469 E470	L455-K466 HydrophobicContact CB-CG 4.48Å; L455-K466 WeakPolarHBondContact O-CD 3.42Å; L455-K466 WeakPolarHBondContact O-CE 3.28Å; L455-K466 PolarHBondContact O-NZ 2.82Å; D456-K466 PolarHBondContact O-NZ 3.47Å; L458-K466 WeakPolarHBondContact O-CE 3.38Å; L458-K466 PolarHBondContact O-NZ 3.32Å; M461-K466 HydrophobicContact CB-CG 3.85Å; M461-K466 HydrophobicContact CE-CG 4.39Å; M461-K466 VanDerWaalsContact O-CE 3.24Å; M461-K466 WeakPolarHBondContact O-CE 3.47Å; D462-K466 WeakPolarHBondContact O-CG 3.15Å; D462-K466 PolarHBondContact O-N 3.29Å; K466-R468 VanDerWaalsContact C-N 3.31Å; K466-R468 PolarHBondContact O-N 3.29Å; K466-A469 WeakPolarHBondContact O-CB 3.44Å; K466-A469 PolarHBondContact O-N 3Å; K466-A469 VanDerWaalsContact O-N 3.15Å; K466-E470 PolarHBondContact O-N 2.96Å
467	K	98.8	Very high	98.5	Very high	127 Å²	127	54.9 Å²	54.9	55%	0.552	29%	0.287	S	S	*	.	H	α-helix	trans	-58.8	-41.8	177.3	-174.7	-175.7	174.9	-171.8	0	112.2	A463 T465 E470 E471	A463-K467 PolarHBondContact O-N 3.25Å; A463-K467 VanDerWaalsContact O-N 3.07Å; T465-K467 PolarHBondContact O-N 3.22Å; K467-E470 WeakPolarHBondContact O-CB 3.42Å; K467-E470 PolarHBondContact O-N 3.1Å; K467-E471 WeakPolarHBondContact CE-OE1 3.48Å; K467-E471 WeakPolarHBondContact O-CG 3.32Å; K467-E471 PolarHBondContact O-N 2.9Å
468	R	98.7	Very high	98.5	Very high	78 Å²	78	53.6 Å²	53.6	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-69.8	-34.8	177.2	-68.3	172.7	179.2	131.6	8.9	112.7	E464 T465 K466 E470 E471 K472 W606	E464-R468 PolarHBondContact O-N 3.5Å; E464-R468 IonicContact OE1-CZ 3.81Å; E464-R468 IonicContact OE1-NH1 3.59Å; E464-R468 PolarHBondContact OE1-NH1 3.47Å; E464-R468 IonicContact OE1-NH2 2.74Å; E464-R468 PolarHBondContact OE1-NH2 3.26Å; T465-R468 PolarHBondContact O-N 3.26Å; K466-R468 VanDerWaalsContact C-N 3.31Å; K466-R468 PolarHBondContact O-N 3.29Å; R468-E470 VanDerWaalsContact C-N 3.33Å; R468-E471 PolarHBondContact O-N 2.75Å; R468-K472 PolarHBondContact O-N 2.98Å; R468-W606 HydrophobicContact CB-CD2 4.44Å; R468-W606 HydrophobicContact CB-CE3 3.6Å; R468-W606 HydrophobicContact CB-CZ3 4.09Å; R468-W606 WeakPolarHBondContact CD-O 3.33Å; R468-W606 PolarHBondContact NH1-O 3.16Å; R468-W606 VanDerWaalsContact NH1-O 3.1Å
469	A	98.8	Very high	98.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-41.3	173.3	0	0	0	0	0	111.3	L455 M461 T465 K466 K472 A473 F590 W606	L455-A469 HydrophobicContact CD1-CB 3.98Å; L455-A469 HydrophobicContact CD2-CB 4.09Å; M461-A469 HydrophobicContact CE-CB 4.19Å; T465-A469 PolarHBondContact O-N 3.21Å; K466-A469 WeakPolarHBondContact O-CB 3.44Å; K466-A469 PolarHBondContact O-N 3Å; K466-A469 VanDerWaalsContact O-N 3.15Å; A469-K472 PolarHBondContact O-N 3.33Å; A469-A473 WeakPolarHBondContact O-CB 3.45Å; A469-A473 PolarHBondContact O-N 2.74Å; A469-F590 HydrophobicContact CB-CD1 4.44Å; A469-F590 HydrophobicContact CB-CE1 3.98Å; A469-F590 WeakPolarHBondContact O-CZ 3.36Å; A469-W606 HydrophobicContact CB-CH2 4.22Å; A469-W606 HydrophobicContact CB-CZ3 4.13Å
470	E	98.8	Very high	98.4	Very high	82 Å²	82	49.4 Å²	49.4	38%	0.383	25%	0.245	S	C	.	.	H	α-helix	trans	-60.3	-49.6	171.5	177.3	-176.8	-171.1	0	0	111.7	I452 L455 K466 K467 R468 K472 A473 L474	I452-E470 HydrophobicContact CG1-CG 4.45Å; I452-E470 HydrophobicContact CG2-CB 4.45Å; I452-E470 HydrophobicContact CG2-CG 3.81Å; L455-E470 HydrophobicContact CD1-CB 4.03Å; K466-E470 PolarHBondContact O-N 2.96Å; K467-E470 WeakPolarHBondContact O-CB 3.42Å; K467-E470 PolarHBondContact O-N 3.1Å; R468-E470 VanDerWaalsContact C-N 3.33Å; E470-K472 PolarHBondContact O-N 2.8Å; E470-A473 PolarHBondContact O-N 3.16Å; E470-A473 VanDerWaalsContact O-N 3.12Å; E470-L474 HydrophobicContact CG-CD1 3.94Å; E470-L474 HydrophobicContact CG-CG 4.4Å; E470-L474 WeakPolarHBondContact O-CG 3.37Å; E470-L474 PolarHBondContact O-N 3.11Å
471	E	98.8	Very high	98.3	Very high	85 Å²	85	48.5 Å²	48.5	40%	0.397	24%	0.242	S	C	.	.	H	α-helix	trans	-54.7	-41.2	177.2	-73.9	170.6	-169.9	0	0	111.9	K467 R468 A475	K467-E471 WeakPolarHBondContact CE-OE1 3.48Å; K467-E471 WeakPolarHBondContact O-CG 3.32Å; K467-E471 PolarHBondContact O-N 2.9Å; R468-E471 PolarHBondContact O-N 2.75Å; E471-A475 WeakPolarHBondContact O-CB 3.31Å; E471-A475 PolarHBondContact O-N 3.25Å
472	K	98.8	Very high	98.3	Very high	2 Å²	2	50 Å²	50	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-68.7	-46	175.6	-178.8	172.7	-173.9	-179.6	0	112.4	R468 A469 E470 L474 A475 I476 Y546 N551 G589 F590 G594 F597 K599 W606	R468-K472 PolarHBondContact O-N 2.98Å; A469-K472 PolarHBondContact O-N 3.33Å; E470-K472 PolarHBondContact O-N 2.8Å; K472-L474 VanDerWaalsContact C-N 3.3Å; K472-L474 PolarHBondContact O-N 2.65Å; K472-A475 PolarHBondContact O-N 3.35Å; K472-I476 PolarHBondContact O-N 3.41Å; K472-Y546 PolarHBondContact NZ-OH 2.91Å; K472-N551 PolarHBondContact O-ND2 3.01Å; K472-G589 WeakPolarHBondContact CE-O 3.31Å; K472-G589 PolarHBondContact NZ-O 2.79Å; K472-F590 HydrophobicContact CB-CE1 3.99Å; K472-F590 HydrophobicContact CB-CZ 3.99Å; K472-F590 HydrophobicContact CD-CD1 4.47Å; K472-F590 HydrophobicContact CD-CE1 3.83Å; K472-F590 HydrophobicContact CD-CZ 4.07Å; K472-F590 HydrophobicContact CG-CE1 4.06Å; K472-F590 HydrophobicContact CG-CZ 3.89Å; K472-G594 PolarHBondContact NZ-O 3.34Å; K472-F597 WeakPolarHBondContact CD-O 3.48Å; K472-F597 WeakPolarHBondContact CE-O 3.44Å; K472-F597 PolarHBondContact NZ-O 3.07Å; K472-K599 HydrophobicContact CB-CB 4.34Å; K472-W606 HydrophobicContact CD-CZ2 4.08Å
473	A	98.7	Very high	98.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-40.1	-179.1	0	0	0	0	0	111.6	R448 F451 I452 A469 E470 A475 I476 F590	R448-A473 WeakPolarHBondContact CD-O 3.27Å; R448-A473 PolarHBondContact NH1-O 2.86Å; F451-A473 HydrophobicContact CD1-CB 3.74Å; F451-A473 HydrophobicContact CE1-CB 3.87Å; I452-A473 HydrophobicContact CD1-CB 4.26Å; I452-A473 HydrophobicContact CG1-CB 3.91Å; A469-A473 WeakPolarHBondContact O-CB 3.45Å; A469-A473 PolarHBondContact O-N 2.74Å; E470-A473 PolarHBondContact O-N 3.16Å; E470-A473 VanDerWaalsContact O-N 3.12Å; A473-A475 VanDerWaalsContact C-N 3.27Å; A473-A475 PolarHBondContact O-N 3.22Å; A473-I476 PolarHBondContact O-N 3.04Å; A473-F590 HydrophobicContact CB-CE2 4.3Å; A473-F590 HydrophobicContact CB-CZ 3.91Å
474	L	98.8	Very high	97.9	Very high	106 Å²	106	48.7 Å²	48.7	56%	0.555	23%	0.23	S	C	*	.	H	α-helix	trans	-65.7	-29.3	174.5	-71.3	172.1	0	0	0	112.8	R448 I452 E470 K472	R448-L474 PolarHBondContact NH1-O 3.03Å; I452-L474 HydrophobicContact CD1-CD2 3.6Å; I452-L474 HydrophobicContact CD1-CG 3.83Å; E470-L474 HydrophobicContact CG-CD1 3.94Å; E470-L474 HydrophobicContact CG-CG 4.4Å; E470-L474 WeakPolarHBondContact O-CG 3.37Å; E470-L474 PolarHBondContact O-N 3.11Å; K472-L474 VanDerWaalsContact C-N 3.3Å; K472-L474 PolarHBondContact O-N 2.65Å
475	A	98.5	Very high	97.7	Very high	34 Å²	34	45.9 Å²	45.9	28%	0.281	22%	0.218	S	C	.	.	H	α-helix	trans	-86.7	-7.7	-179	0	0	0	0	0	114.7	E471 K472 A473 K477 K599	E471-A475 WeakPolarHBondContact O-CB 3.31Å; E471-A475 PolarHBondContact O-N 3.25Å; K472-A475 PolarHBondContact O-N 3.35Å; A473-A475 VanDerWaalsContact C-N 3.27Å; A473-A475 PolarHBondContact O-N 3.22Å; A475-K477 PolarHBondContact O-N 3.41Å; A475-K599 HydrophobicContact CB-CB 3.68Å
476	I	98.6	Very high	97.7	Very high	4 Å²	4	46 Å²	46	2%	0.021	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-57.1	129.6	176.5	-69.1	167.8	0	0	0	109.1	R448 K472 A473 N551 I553 I586 F590	R448-I476 VanDerWaalsContact CZ-O 3.28Å; R448-I476 PolarHBondContact NH1-O 2.82Å; R448-I476 PolarHBondContact NH2-O 3.05Å; K472-I476 PolarHBondContact O-N 3.41Å; A473-I476 PolarHBondContact O-N 3.04Å; I476-N551 CarbonylContact C-O 3.23Å; I476-N551 WeakPolarHBondContact CA-O 3.38Å; I476-N551 WeakPolarHBondContact CG1-OD1 3.35Å; I476-N551 PolarHBondContact N-ND2 3.47Å; I476-I553 HydrophobicContact CG2-CB 4.34Å; I476-I553 HydrophobicContact CG2-CD1 3.84Å; I476-I553 HydrophobicContact CG2-CG1 3.78Å; I476-I553 HydrophobicContact CG2-CG2 3.83Å; I476-I586 HydrophobicContact CD1-CG2 4.02Å; I476-F590 HydrophobicContact CD1-CE2 4.22Å
477	K	97.7	Very high	97.6	Very high	75 Å²	75	46.5 Å²	46.5	33%	0.326	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.9	176.1	-62.2	-177.9	-179.8	-173.2	0	110.3	A475 N551 Q552 I553	A475-K477 PolarHBondContact O-N 3.41Å; K477-N551 PolarHBondContact N-O 3.45Å; K477-Q552 HydrophobicContact CB-CB 4.36Å; K477-Q552 HydrophobicContact CB-CG 4.3Å; K477-Q552 CarbonylContact O-C 3.51Å; K477-Q552 VanDerWaalsContact O-CA 3.24Å; K477-Q552 WeakPolarHBondContact O-CA 3.24Å; K477-Q552 WeakPolarHBondContact O-CG 3.41Å; K477-I553 PolarHBondContact O-N 3.03Å
478	E	97.1	Very high	97.4	Very high	84 Å²	84	45 Å²	45	39%	0.393	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	141.2	175.7	66	-81	-168.9	0	0	113	I444 R448 I480 I553	I444-E478 HydrophobicContact CD1-CB 4.29Å; I444-E478 HydrophobicContact CG2-CB 4.19Å; I444-E478 HydrophobicContact CG2-CG 4.46Å; R448-E478 IonicContact CZ-OE2 3.59Å; R448-E478 IonicContact NH2-OE2 3.16Å; R448-E478 PolarHBondContact NH2-OE2 2.81Å; E478-I480 HydrophobicContact CB-CD1 4.44Å; E478-I480 HydrophobicContact CG-CD1 4.05Å; E478-I553 CarbonylContact C-O 3.51Å; E478-I553 HydrophobicContact CB-CD1 4.23Å; E478-I553 HydrophobicContact CB-CG1 3.99Å
479	R	97.3	Very high	97.4	Very high	52 Å²	52	44.4 Å²	44.4	20%	0.196	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.7	173.2	-59.3	-58.9	-175.9	-162.2	-0.1	109.2	K532 D533 W535 Q552 I553 V554 F555	R479-K532 PolarHBondContact NH2-O 2.03Å; R479-D533 IonicContact CZ-OD1 3.83Å; R479-D533 IonicContact NH2-OD1 3.73Å; R479-D533 PolarHBondContact NH2-OD1 2.84Å; R479-W535 HydrophobicContact CB-CD2 3.82Å; R479-W535 HydrophobicContact CB-CE3 4.01Å; R479-W535 HydrophobicContact CB-CH2 3.76Å; R479-W535 HydrophobicContact CB-CZ2 3.59Å; R479-W535 HydrophobicContact CB-CZ3 3.97Å; R479-W535 HydrophobicContact CG-CD2 4.18Å; R479-W535 HydrophobicContact CG-CG 4.4Å; R479-W535 HydrophobicContact CG-CZ2 4.32Å; R479-Q552 HydrophobicContact CG-CG 3.88Å; R479-I553 PolarHBondContact N-O 3.23Å; R479-V554 HydrophobicContact CB-CB 4.24Å; R479-V554 HydrophobicContact CB-CG1 4.04Å; R479-V554 HydrophobicContact CB-CG2 3.84Å; R479-V554 HydrophobicContact CG-CG2 4.04Å; R479-V554 WeakPolarHBondContact O-CA 3.35Å; R479-F555 PolarHBondContact O-N 3.45Å
480	I	97.5	Very high	97.4	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.036	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.6	-164.8	-57	159.2	0	0	0	110.4	K437 V440 E441 I444 E478 Y482 W535 L560	K437-I480 HydrophobicContact CG-CB 4.43Å; K437-I480 HydrophobicContact CG-CG2 4.13Å; V440-I480 HydrophobicContact CB-CG2 3.95Å; V440-I480 HydrophobicContact CG1-CG2 3.75Å; E441-I480 HydrophobicContact CB-CD1 4.09Å; E441-I480 HydrophobicContact CG-CD1 3.23Å; I444-I480 HydrophobicContact CD1-CD1 3.48Å; I444-I480 VanDerWaalsContact CD1-CD1 3.48Å; I444-I480 HydrophobicContact CD1-CG1 3.63Å; E478-I480 HydrophobicContact CB-CD1 4.44Å; E478-I480 HydrophobicContact CG-CD1 4.05Å; I480-Y482 PolarHBondContact O-N 2.84Å; I480-W535 VanDerWaalsContact N-CH2 3.3Å; I480-L560 HydrophobicContact CG2-CD1 3.92Å
481	G	96.8	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.6	-83.4	-179.6	0	0	0	0	0	112.3	A539 F555 A557	G481-A539 WeakPolarHBondContact O-CB 3.45Å; G481-F555 PolarHBondContact N-O 2.88Å; G481-A557 PolarHBondContact O-N 2.72Å
482	Y	97	Very high	97.2	Very high	46 Å²	46	50.2 Å²	50.2	18%	0.18	26%	0.264	C	S	.	.			trans	-155.9	157.4	-176.4	63.7	-81.3	0	0	0	112.3	V428 F432 I480 D484 I486 V487 W535	V428-Y482 HydrophobicContact CB-CD1 3.95Å; V428-Y482 HydrophobicContact CB-CE1 4.2Å; V428-Y482 HydrophobicContact CB-CG 4.33Å; V428-Y482 HydrophobicContact CG1-CD1 3.67Å; V428-Y482 HydrophobicContact CG1-CE1 4.4Å; V428-Y482 HydrophobicContact CG1-CG 3.93Å; V428-Y482 HydrophobicContact CG2-CD1 4.06Å; V428-Y482 HydrophobicContact CG2-CD2 4.16Å; V428-Y482 HydrophobicContact CG2-CE1 4.23Å; V428-Y482 HydrophobicContact CG2-CE2 4.33Å; V428-Y482 HydrophobicContact CG2-CG 4.04Å; F432-Y482 HydrophobicContact CD1-CD1 4.05Å; F432-Y482 AromaticContact CD1-CE1 3.84Å; F432-Y482 HydrophobicContact CD1-CE1 3.84Å; F432-Y482 HydrophobicContact CE1-CD1 4.23Å; F432-Y482 HydrophobicContact CE1-CE1 4.04Å; I480-Y482 PolarHBondContact O-N 2.84Å; Y482-D484 PolarHBondContact O-N 3.02Å; Y482-I486 HydrophobicContact CD2-CD1 4.14Å; Y482-I486 HydrophobicContact CD2-CG1 4.1Å; Y482-I486 HydrophobicContact CG-CD1 4.45Å; Y482-V487 HydrophobicContact CD2-CG2 3.99Å; Y482-V487 HydrophobicContact CE2-CB 4.28Å; Y482-V487 HydrophobicContact CE2-CG2 3.54Å; Y482-W535 VanDerWaalsContact N-CH2 3.27Å; Y482-W535 WeakPolarHBondContact O-CZ2 3.14Å
483	P	95.8	Very high	97.2	Very high	17 Å²	17	50.4 Å²	50.4	11%	0.11	27%	0.265	C	S	.	.			trans	-68.8	123.5	168.1	-1.4	10.3	0	0	0	110.9	D485 I486 W535	P483-D485 WeakPolarHBondContact CB-OD1 3.5Å; P483-D485 PolarHBondContact O-N 3.27Å; P483-I486 HydrophobicContact CB-CG2 4.2Å; P483-I486 HydrophobicContact CG-CG2 4.03Å; P483-I486 WeakPolarHBondContact O-CG1 3.13Å; P483-I486 PolarHBondContact O-N 3.3Å; P483-I486 VanDerWaalsContact O-N 3.14Å; P483-W535 HydrophobicContact CB-CZ2 4.42Å; P483-W535 HydrophobicContact CG-CD2 3.75Å; P483-W535 HydrophobicContact CG-CE3 4.42Å; P483-W535 HydrophobicContact CG-CG 3.81Å; P483-W535 HydrophobicContact CG-CZ2 4.27Å
484	D	93.9	Very high	97.2	Very high	85 Å²	85	51.9 Å²	51.9	46%	0.455	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.1	-172.8	-63.1	-30.5	0	0	0	113.8	K437 Y482 I486 V487 S488	K437-D484 VanDerWaalsContact NZ-CG 3.31Å; K437-D484 IonicContact NZ-OD1 2.9Å; K437-D484 PolarHBondContact NZ-OD1 3Å; K437-D484 IonicContact NZ-OD2 3.14Å; K437-D484 PolarHBondContact NZ-OD2 2.68Å; K437-D484 VanDerWaalsContact NZ-OD2 3.09Å; Y482-D484 PolarHBondContact O-N 3.02Å; D484-I486 PolarHBondContact O-N 2.93Å; D484-V487 PolarHBondContact O-N 3.17Å; D484-S488 WeakPolarHBondContact O-CB 3.04Å; D484-S488 PolarHBondContact O-N 3.14Å; D484-S488 VanDerWaalsContact O-N 3.1Å; D484-S488 PolarHBondContact O-OG 2.96Å
485	D	94.9	Very high	97.1	Very high	48 Å²	48	51.9 Å²	51.9	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-73.2	-20.7	-179.3	62.7	2.8	0	0	0	114.3	P483 V487 S488 N489 K492	P483-D485 WeakPolarHBondContact CB-OD1 3.5Å; P483-D485 PolarHBondContact O-N 3.27Å; D485-V487 PolarHBondContact O-N 3.39Å; D485-S488 WeakPolarHBondContact CA-OG 3.01Å; D485-N489 HydrophobicContact CB-CB 4.23Å; D485-N489 WeakPolarHBondContact O-CA 3.3Å; D485-N489 WeakPolarHBondContact O-CB 3.42Å; D485-N489 PolarHBondContact O-N 2.69Å; D485-K492 HydrophobicContact CB-CD 4.39Å; D485-K492 WeakPolarHBondContact OD2-CD 3.44Å; D485-K492 WeakPolarHBondContact OD2-CE 3.47Å; D485-K492 IonicContact OD2-NZ 3.01Å; D485-K492 PolarHBondContact OD2-NZ 3.49Å
486	I	97.1	Very high	97	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-67.6	-27.1	175.7	79.7	-177.6	0	0	0	111.3	N421 R425 Y482 P483 D484 L493	N421-I486 HydrophobicContact CB-CB 4.49Å; N421-I486 HydrophobicContact CB-CG2 3.86Å; R425-I486 HydrophobicContact CB-CB 4.49Å; R425-I486 HydrophobicContact CB-CD1 4.33Å; R425-I486 HydrophobicContact CB-CG1 4.11Å; R425-I486 VanDerWaalsContact CD-O 3.24Å; R425-I486 WeakPolarHBondContact CD-O 3.23Å; R425-I486 WeakPolarHBondContact CG-O 3.28Å; R425-I486 PolarHBondContact NH1-O 3.22Å; Y482-I486 HydrophobicContact CD2-CD1 4.14Å; Y482-I486 HydrophobicContact CD2-CG1 4.1Å; Y482-I486 HydrophobicContact CG-CD1 4.45Å; P483-I486 HydrophobicContact CB-CG2 4.2Å; P483-I486 HydrophobicContact CG-CG2 4.03Å; P483-I486 WeakPolarHBondContact O-CG1 3.13Å; P483-I486 PolarHBondContact O-N 3.3Å; P483-I486 VanDerWaalsContact O-N 3.14Å; D484-I486 PolarHBondContact O-N 2.93Å; I486-L493 WeakPolarHBondContact O-CD2 3.37Å
487	V	96.5	Very high	97	Very high	41 Å²	41	52.7 Å²	52.7	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-95.2	-37.2	177.4	-178.1	0	0	0	0	111.6	R425 V428 Y482 D484 D485	R425-V487 HydrophobicContact CG-CG2 4.09Å; R425-V487 VanDerWaalsContact CZ-O 3.28Å; R425-V487 PolarHBondContact NH1-O 3.4Å; R425-V487 PolarHBondContact NH2-O 3.37Å; V428-V487 HydrophobicContact CG2-CG2 3.9Å; Y482-V487 HydrophobicContact CD2-CG2 3.99Å; Y482-V487 HydrophobicContact CE2-CB 4.28Å; Y482-V487 HydrophobicContact CE2-CG2 3.54Å; D484-V487 PolarHBondContact O-N 3.17Å; D485-V487 PolarHBondContact O-N 3.39Å
488	S	96.5	Very high	97	Very high	95 Å²	95	54.3 Å²	54.3	66%	0.664	28%	0.282	S	S	*	.	H	α-helix	trans	-96.2	-15.9	-171.1	60.6	0	0	0	0	115.2	D484 D485	D484-S488 WeakPolarHBondContact O-CB 3.04Å; D484-S488 PolarHBondContact O-N 3.14Å; D484-S488 VanDerWaalsContact O-N 3.1Å; D484-S488 PolarHBondContact O-OG 2.96Å; D485-S488 WeakPolarHBondContact CA-OG 3.01Å
489	N	97.6	Very high	97	Very high	66 Å²	66	56 Å²	56	35%	0.353	29%	0.29	S	S	.	.			trans	-127.1	79.4	-174.1	-167.9	-17.7	0	0	0	112.9	D485 N491 K492 L493	D485-N489 HydrophobicContact CB-CB 4.23Å; D485-N489 WeakPolarHBondContact O-CA 3.3Å; D485-N489 WeakPolarHBondContact O-CB 3.42Å; D485-N489 PolarHBondContact O-N 2.69Å; N489-N491 PolarHBondContact O-N 2.95Å; N489-N491 PolarHBondContact OD1-N 3.47Å; N489-K492 HydrophobicContact CB-CB 4.15Å; N489-K492 PolarHBondContact O-N 2.87Å; N489-K492 VanDerWaalsContact O-N 3.14Å; N489-K492 PolarHBondContact OD1-N 3.3Å; N489-L493 PolarHBondContact O-N 3.47Å
490	D	98.3	Very high	97.1	Very high	62 Å²	62	53.5 Å²	53.5	33%	0.332	28%	0.281	S	S	.	.	H	α-helix	trans	-57.1	-34.7	-179.5	-60.8	-13.8	0	0	0	113	I130 R425 L493 N494	I130-D490 HydrophobicContact CD1-CB 4.11Å; I130-D490 HydrophobicContact CG2-CB 4.19Å; R425-D490 IonicContact CZ-OD1 3.63Å; R425-D490 IonicContact NH1-OD1 3.4Å; R425-D490 PolarHBondContact NH1-OD1 3.29Å; R425-D490 IonicContact NH2-OD1 2.78Å; D490-L493 PolarHBondContact O-N 3.41Å; D490-N494 VanDerWaalsContact O-CB 3.27Å; D490-N494 WeakPolarHBondContact O-CB 3.31Å; D490-N494 PolarHBondContact O-N 3.25Å; D490-N494 PolarHBondContact O-ND2 2.87Å; D490-N494 VanDerWaalsContact O-ND2 3.08Å
491	N	98.1	Very high	97.1	Very high	117 Å²	117	58.3 Å²	58.3	63%	0.626	31%	0.307	S	S	*	.	H	α-helix	trans	-66.1	-44.4	178.8	-73.7	-29.6	0	0	0	111.7	N489 L493 N494 N495	N489-N491 PolarHBondContact O-N 2.95Å; N489-N491 PolarHBondContact OD1-N 3.47Å; N491-L493 VanDerWaalsContact C-N 3.34Å; N491-N494 PolarHBondContact O-N 2.91Å; N491-N495 VanDerWaalsContact O-CB 3.25Å; N491-N495 WeakPolarHBondContact O-CB 3.28Å; N491-N495 PolarHBondContact O-N 2.81Å; N491-N495 PolarHBondContact O-ND2 2.82Å; N491-N495 VanDerWaalsContact O-ND2 3.17Å
492	K	96.8	Very high	97.2	Very high	110 Å²	110	59.4 Å²	59.4	48%	0.478	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-46.2	176.6	-175.8	179	178.6	-178.9	0	110.5	D485 N489 N495 E496	D485-K492 HydrophobicContact CB-CD 4.39Å; D485-K492 WeakPolarHBondContact OD2-CD 3.44Å; D485-K492 WeakPolarHBondContact OD2-CE 3.47Å; D485-K492 IonicContact OD2-NZ 3.01Å; D485-K492 PolarHBondContact OD2-NZ 3.49Å; N489-K492 HydrophobicContact CB-CB 4.15Å; N489-K492 PolarHBondContact O-N 2.87Å; N489-K492 VanDerWaalsContact O-N 3.14Å; N489-K492 PolarHBondContact OD1-N 3.3Å; K492-N495 PolarHBondContact O-N 2.86Å; K492-E496 PolarHBondContact O-N 2.87Å
493	L	97.9	Very high	97.3	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-66.4	-41.1	-179.2	-171.3	60.5	0	0	0	112.5	I130 A132 N421 R425 I486 N489 D490 N491 E496 Y497	I130-L493 HydrophobicContact CD1-CD2 4.02Å; A132-L493 HydrophobicContact CB-CD2 4.36Å; A132-L493 HydrophobicContact CB-CG 3.88Å; N421-L493 HydrophobicContact CB-CD1 3.54Å; R425-L493 HydrophobicContact CB-CD2 4.49Å; I486-L493 WeakPolarHBondContact O-CD2 3.37Å; N489-L493 PolarHBondContact O-N 3.47Å; D490-L493 PolarHBondContact O-N 3.41Å; N491-L493 VanDerWaalsContact C-N 3.34Å; L493-E496 PolarHBondContact O-N 2.89Å; L493-Y497 HydrophobicContact CD1-CD2 4.44Å; L493-Y497 HydrophobicContact CD1-CE2 3.74Å; L493-Y497 HydrophobicContact CG-CE2 4.47Å; L493-Y497 VanDerWaalsContact O-CD2 3.3Å; L493-Y497 WeakPolarHBondContact O-CD2 3.44Å
494	N	98.4	Very high	97.4	Very high	32 Å²	32	65.6 Å²	65.6	17%	0.171	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-40.8	174.1	-72	-30.4	0	0	0	111.9	V131 A132 D490 N491 E496 Y497 L498	V131-N494 PolarHBondContact N-OD1 3.26Å; A132-N494 WeakPolarHBondContact CB-OD1 3.28Å; A132-N494 PolarHBondContact N-OD1 3.35Å; D490-N494 VanDerWaalsContact O-CB 3.27Å; D490-N494 WeakPolarHBondContact O-CB 3.31Å; D490-N494 PolarHBondContact O-N 3.25Å; D490-N494 PolarHBondContact O-ND2 2.87Å; D490-N494 VanDerWaalsContact O-ND2 3.08Å; N491-N494 PolarHBondContact O-N 2.91Å; N494-E496 VanDerWaalsContact C-N 3.33Å; N494-E496 PolarHBondContact O-N 3.41Å; N494-Y497 CarbonylContact O-C 3.53Å; N494-Y497 PolarHBondContact O-N 3.44Å; N494-L498 PolarHBondContact O-N 3.46Å; N494-L498 VanDerWaalsContact O-N 3.12Å
495	N	97.8	Very high	97.6	Very high	105 Å²	105	66.2 Å²	66.2	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-66.7	-33.4	179.7	-74.2	-20.4	0	0	0	112.5	N491 K492 Y497 L498	N491-N495 VanDerWaalsContact O-CB 3.25Å; N491-N495 WeakPolarHBondContact O-CB 3.28Å; N491-N495 PolarHBondContact O-N 2.81Å; N491-N495 PolarHBondContact O-ND2 2.82Å; N491-N495 VanDerWaalsContact O-ND2 3.17Å; K492-N495 PolarHBondContact O-N 2.86Å; N495-Y497 PolarHBondContact O-N 3Å; N495-L498 WeakPolarHBondContact O-CB 3.26Å; N495-L498 PolarHBondContact O-N 3.4Å
496	E	96.6	Very high	97.8	Very high	51 Å²	51	66.4 Å²	66.4	24%	0.238	34%	0.341	C	S	.	.	H	α-helix	trans	-57.5	-38	174.8	178.2	166.9	-156.6	0	0	112	N421 K492 L493 N494 F517 K521	N421-E496 PolarHBondContact ND2-OE2 2.9Å; K492-E496 PolarHBondContact O-N 2.87Å; L493-E496 PolarHBondContact O-N 2.89Å; N494-E496 VanDerWaalsContact C-N 3.33Å; N494-E496 PolarHBondContact O-N 3.41Å; E496-F517 WeakPolarHBondContact O-CZ 3.34Å; E496-K521 IonicContact OE1-NZ 2.75Å; E496-K521 PolarHBondContact OE1-NZ 3.43Å
497	Y	98.1	Very high	97.9	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.016	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	18.4	-177.2	-53.5	-64.2	0	0	0	113	A132 K135 M419 N421 A422 L493 N494 N495 E499 L500	A132-Y497 HydrophobicContact CB-CD2 3.92Å; K135-Y497 PolarHBondContact NZ-O 2.99Å; M419-Y497 VanDerWaalsContact C-OH 3.26Å; M419-Y497 WeakPolarHBondContact CA-OH 3.27Å; M419-Y497 HydrophobicContact CB-CE1 4.1Å; M419-Y497 HydrophobicContact CE-CD1 3.86Å; M419-Y497 HydrophobicContact CE-CD2 3.74Å; M419-Y497 HydrophobicContact CE-CE1 4.23Å; M419-Y497 HydrophobicContact CE-CE2 4.11Å; M419-Y497 HydrophobicContact CE-CG 3.6Å; M419-Y497 HydrophobicContact CG-CD1 4.35Å; M419-Y497 HydrophobicContact CG-CE1 4.09Å; N421-Y497 PolarHBondContact N-OH 3.18Å; A422-Y497 HydrophobicContact CB-CD2 4.44Å; A422-Y497 HydrophobicContact CB-CE2 3.79Å; L493-Y497 HydrophobicContact CD1-CD2 4.44Å; L493-Y497 HydrophobicContact CD1-CE2 3.74Å; L493-Y497 HydrophobicContact CG-CE2 4.47Å; L493-Y497 VanDerWaalsContact O-CD2 3.3Å; L493-Y497 WeakPolarHBondContact O-CD2 3.44Å; N494-Y497 CarbonylContact O-C 3.53Å; N494-Y497 PolarHBondContact O-N 3.44Å; N495-Y497 PolarHBondContact O-N 3Å; Y497-E499 PolarHBondContact O-N 3.03Å; Y497-L500 HydrophobicContact CD1-CD1 3.83Å; Y497-L500 PolarHBondContact O-N 3.43Å
498	L	98.1	Very high	98	Very high	109 Å²	109	65.7 Å²	65.7	57%	0.571	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-42.5	-173	-176.7	62.9	0	0	0	112.6	K135 N494 N495 L500	K135-L498 PolarHBondContact NZ-O 3.38Å; N494-L498 PolarHBondContact O-N 3.46Å; N494-L498 VanDerWaalsContact O-N 3.12Å; N495-L498 WeakPolarHBondContact O-CB 3.26Å; N495-L498 PolarHBondContact O-N 3.4Å; L498-L500 PolarHBondContact O-N 3.5Å
499	E	97.3	Very high	98.1	Very high	119 Å²	119	63.9 Å²	63.9	56%	0.556	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.9	-177.3	-61.4	-174	160.2	0	0	113.5	Y497 N501 F517 K524	Y497-E499 PolarHBondContact O-N 3.03Å; E499-N501 PolarHBondContact O-ND2 3.42Å; E499-F517 HydrophobicContact CB-CD2 4.17Å; E499-F517 HydrophobicContact CB-CE2 4.1Å; E499-K524 IonicContact OE1-NZ 3.73Å
500	L	98.5	Very high	98.1	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	30%	0.299	C	S	.	.			trans	-88.9	129.6	-178.7	-63.3	168.4	0	0	0	110.9	K135 Y497 L498 Y502 Q513 F517	K135-L500 WeakPolarHBondContact CD-O 3.21Å; K135-L500 WeakPolarHBondContact CE-O 3.29Å; K135-L500 PolarHBondContact NZ-O 3.3Å; Y497-L500 HydrophobicContact CD1-CD1 3.83Å; Y497-L500 PolarHBondContact O-N 3.43Å; L498-L500 PolarHBondContact O-N 3.5Å; L500-Y502 HydrophobicContact CB-CE1 4.35Å; L500-Y502 HydrophobicContact CB-CE2 4.35Å; L500-Y502 WeakPolarHBondContact CD1-OH 3.34Å; L500-Y502 HydrophobicContact CD2-CE1 4.42Å; L500-Q513 HydrophobicContact CD2-CG 3.98Å; L500-F517 HydrophobicContact CD1-CD1 3.92Å; L500-F517 HydrophobicContact CD1-CE1 4Å; L500-F517 HydrophobicContact CD1-CG 4.31Å; L500-F517 HydrophobicContact CD1-CZ 4.45Å; L500-F517 HydrophobicContact CD2-CB 3.64Å; L500-F517 HydrophobicContact CD2-CD1 4.04Å; L500-F517 HydrophobicContact CD2-CD2 4.14Å; L500-F517 HydrophobicContact CD2-CG 3.67Å; L500-F517 HydrophobicContact CG-CD1 4.21Å; L500-F517 HydrophobicContact CG-CD2 4.26Å; L500-F517 HydrophobicContact CG-CE1 4.5Å; L500-F517 HydrophobicContact CG-CG 4.08Å
501	N	98.4	Very high	98.2	Very high	107 Å²	107	58.4 Å²	58.4	57%	0.572	29%	0.286	S	S	*	.			trans	-138.8	100.2	-179.2	-65.9	-79.4	0	0	0	108.4	E499 Q513	E499-N501 PolarHBondContact O-ND2 3.42Å; N501-Q513 PolarHBondContact O-NE2 3.09Å; N501-Q513 PolarHBondContact O-OE1 3.38Å
502	Y	98.8	Very high	98.2	Very high	23 Å²	23	53.4 Å²	53.4	9%	0.09	26%	0.259	C	S	.	.			trans	-93.4	151.4	-175.5	-55.5	-51.4	0	0	0	112.3	K135 L139 M419 L500 N510 N514	K135-Y502 HydrophobicContact CB-CD2 3.97Å; K135-Y502 HydrophobicContact CB-CE2 4.07Å; K135-Y502 HydrophobicContact CG-CD2 4.49Å; K135-Y502 WeakPolarHBondContact O-CD2 3.23Å; L139-Y502 HydrophobicContact CB-CD2 3.93Å; L139-Y502 HydrophobicContact CB-CE2 4.02Å; L139-Y502 HydrophobicContact CB-CG 4.39Å; L139-Y502 HydrophobicContact CD1-CD1 4.15Å; L139-Y502 HydrophobicContact CD1-CE1 4.13Å; L139-Y502 HydrophobicContact CD1-CG 4.35Å; L139-Y502 HydrophobicContact CD2-CE2 4.15Å; L139-Y502 HydrophobicContact CG-CE2 4.48Å; M419-Y502 HydrophobicContact SD-CE2 3.73Å; L500-Y502 HydrophobicContact CB-CE1 4.35Å; L500-Y502 HydrophobicContact CB-CE2 4.35Å; L500-Y502 WeakPolarHBondContact CD1-OH 3.34Å; L500-Y502 HydrophobicContact CD2-CE1 4.42Å; Y502-N510 VanDerWaalsContact CA-OD1 3.3Å; Y502-N510 WeakPolarHBondContact CA-OD1 3.45Å; Y502-N510 HydrophobicContact CD1-CB 3.73Å; Y502-N510 HydrophobicContact CE1-CB 4.26Å; Y502-N514 WeakPolarHBondContact CE1-OD1 3.18Å; Y502-N514 PolarHBondContact OH-OD1 2.66Å
503	K	98.6	Very high	98.3	Very high	103 Å²	103	50.8 Å²	50.8	45%	0.448	25%	0.249	S	C	.	.			trans	-121.3	143.7	170	-64.7	166.8	175.5	177	0	110.4	S142 D505 E506 N510	S142-K503 WeakPolarHBondContact CB-O 3.39Å; K503-D505 VanDerWaalsContact C-N 3.3Å; K503-D505 PolarHBondContact O-N 2.97Å; K503-E506 HydrophobicContact CB-CB 4.07Å; K503-E506 HydrophobicContact CB-CG 4.37Å; K503-E506 HydrophobicContact CD-CB 4.28Å; K503-E506 HydrophobicContact CD-CG 4.02Å; K503-E506 WeakPolarHBondContact CD-OE1 3.25Å; K503-E506 WeakPolarHBondContact CD-OE2 3.02Å; K503-E506 IonicContact NZ-OE1 2.93Å; K503-E506 PolarHBondContact NZ-OE1 3.38Å; K503-E506 IonicContact NZ-OE2 2.72Å; K503-E506 PolarHBondContact NZ-OE2 2.77Å; K503-E506 PolarHBondContact O-N 3.14Å; K503-N510 PolarHBondContact N-OD1 3.16Å; K503-N510 VanDerWaalsContact N-OD1 3.13Å; K503-N510 PolarHBondContact O-ND2 3.35Å
504	E	97.8	Very high	98.3	Very high	91 Å²	91	50.7 Å²	50.7	43%	0.425	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-21.4	-173.5	-64.7	-168.1	-160.5	0	0	114	T138 R141 S142	T138-E504 HydrophobicContact CG2-CG 3.71Å; R141-E504 IonicContact CZ-OE1 2.71Å; R141-E504 VanDerWaalsContact CZ-OE1 3.32Å; R141-E504 IonicContact CZ-OE2 2.83Å; R141-E504 VanDerWaalsContact NE-CD 3.26Å; R141-E504 IonicContact NE-OE1 3.79Å; R141-E504 PolarHBondContact NE-OE1 2.8Å; R141-E504 VanDerWaalsContact NE-OE1 3.1Å; R141-E504 IonicContact NE-OE2 3.32Å; R141-E504 PolarHBondContact NE-OE2 3.2Å; R141-E504 IonicContact NH2-OE1 4Å; R141-E504 PolarHBondContact NH2-OE1 3.04Å; S142-E504 WeakPolarHBondContact CA-O 3.33Å; S142-E504 WeakPolarHBondContact CB-O 3.28Å
505	D	97.9	Very high	98.3	Very high	98 Å²	98	51.7 Å²	51.7	52%	0.524	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-5.4	179.7	58	-24.8	0	0	0	113.5	R152 K503	R152-D505 PolarHBondContact NH1-O 3.37Å; K503-D505 VanDerWaalsContact C-N 3.3Å; K503-D505 PolarHBondContact O-N 2.97Å
506	E	98.4	Very high	98.4	Very high	51 Å²	51	50.5 Å²	50.5	24%	0.238	24%	0.243	C	C	.	.			trans	-117.3	53.4	-173.8	-62.4	-178.3	-164	0	0	113.7	K503 F508 E509 N510	K503-E506 HydrophobicContact CB-CB 4.07Å; K503-E506 HydrophobicContact CB-CG 4.37Å; K503-E506 HydrophobicContact CD-CB 4.28Å; K503-E506 HydrophobicContact CD-CG 4.02Å; K503-E506 WeakPolarHBondContact CD-OE1 3.25Å; K503-E506 WeakPolarHBondContact CD-OE2 3.02Å; K503-E506 IonicContact NZ-OE1 2.93Å; K503-E506 PolarHBondContact NZ-OE1 3.38Å; K503-E506 IonicContact NZ-OE2 2.72Å; K503-E506 PolarHBondContact NZ-OE2 2.77Å; K503-E506 PolarHBondContact O-N 3.14Å; E506-F508 VanDerWaalsContact C-N 3.32Å; E506-F508 PolarHBondContact O-N 3.31Å; E506-E509 HydrophobicContact CB-CB 4.03Å; E506-E509 HydrophobicContact CB-CG 4.28Å; E506-E509 WeakPolarHBondContact CB-OE2 3.49Å; E506-E509 PolarHBondContact O-N 2.99Å; E506-N510 PolarHBondContact O-N 3.02Å; E506-N510 PolarHBondContact O-ND2 2.86Å; E506-N510 PolarHBondContact O-OD1 2.96Å
507	Y	98.8	Very high	98.5	Very high	20 Å²	20	49.8 Å²	49.8	8%	0.078	24%	0.239	C	C	.	.	H	α-helix	trans	-55.5	-42.7	-179.3	179	-118	0	0	0	113.6	S142 C143 I149 Y414 E509 N510 I511	S142-Y507 WeakPolarHBondContact O-CB 3.48Å; C143-Y507 HydrophobicContact CB-CD2 3.68Å; C143-Y507 HydrophobicContact CB-CE2 3.41Å; C143-Y507 VanDerWaalsContact CB-CE2 3.41Å; C143-Y507 HydrophobicContact CB-CG 4.44Å; I149-Y507 HydrophobicContact CD1-CD1 3.73Å; I149-Y507 HydrophobicContact CD1-CG 4.15Å; I149-Y507 HydrophobicContact CG1-CD1 4.36Å; Y414-Y507 HydrophobicContact CD1-CE2 4.12Å; Y414-Y507 HydrophobicContact CE1-CE2 4.07Å; Y507-E509 VanDerWaalsContact C-N 3.34Å; Y507-E509 PolarHBondContact O-N 3.18Å; Y507-N510 WeakPolarHBondContact O-CB 3.5Å; Y507-N510 PolarHBondContact O-N 3.11Å; Y507-N510 VanDerWaalsContact O-N 3.17Å; Y507-I511 HydrophobicContact CD1-CG2 4.42Å; Y507-I511 HydrophobicContact CD2-CG2 4.08Å; Y507-I511 HydrophobicContact CE1-CG2 3.93Å; Y507-I511 HydrophobicContact CE2-CG2 3.54Å; Y507-I511 HydrophobicContact CG-CG2 4.5Å; Y507-I511 VanDerWaalsContact CZ-CG2 3.46Å; Y507-I511 WeakPolarHBondContact O-CG2 2.99Å; Y507-I511 PolarHBondContact O-N 3.13Å
508	F	98.9	Very high	98.5	Very high	10 Å²	10	52.4 Å²	52.4	4%	0.044	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-42.9	179.2	-169.8	-89.7	0	0	0	111.7	P156 L157 L160 L379 L383 E506 N510 I511 I512	P156-F508 HydrophobicContact CB-CB 3.7Å; P156-F508 HydrophobicContact CB-CD1 3.29Å; P156-F508 HydrophobicContact CB-CD2 4.03Å; P156-F508 HydrophobicContact CB-CE1 3.82Å; P156-F508 HydrophobicContact CB-CE2 4.48Å; P156-F508 HydrophobicContact CB-CG 3.39Å; P156-F508 HydrophobicContact CB-CZ 4.38Å; P156-F508 HydrophobicContact CG-CB 4.19Å; P156-F508 HydrophobicContact CG-CG 4.31Å; P156-F508 WeakPolarHBondContact O-CE1 3.37Å; L157-F508 HydrophobicContact CB-CZ 4.28Å; L160-F508 HydrophobicContact CB-CE1 4.45Å; L160-F508 HydrophobicContact CD1-CE1 4.01Å; L160-F508 HydrophobicContact CD1-CZ 4.2Å; L379-F508 HydrophobicContact CB-CE2 4.25Å; L379-F508 HydrophobicContact CD1-CZ 4.15Å; L379-F508 HydrophobicContact CD2-CE2 4.26Å; L379-F508 HydrophobicContact CD2-CZ 4.38Å; L383-F508 HydrophobicContact CD2-CD2 3.61Å; L383-F508 HydrophobicContact CD2-CE2 3.62Å; L383-F508 HydrophobicContact CG-CD2 4.45Å; L383-F508 HydrophobicContact CG-CE2 4.27Å; E506-F508 VanDerWaalsContact C-N 3.32Å; E506-F508 PolarHBondContact O-N 3.31Å; F508-N510 VanDerWaalsContact C-N 3.33Å; F508-N510 PolarHBondContact O-N 3.06Å; F508-I511 HydrophobicContact CD2-CD1 4.23Å; F508-I511 WeakPolarHBondContact O-CG1 3.49Å; F508-I511 PolarHBondContact O-N 3.09Å; F508-I512 HydrophobicContact CD1-CG1 3.98Å; F508-I512 HydrophobicContact CE1-CD1 4.22Å; F508-I512 HydrophobicContact CE1-CG1 3.75Å; F508-I512 HydrophobicContact CZ-CD1 4.41Å; F508-I512 HydrophobicContact CZ-CG1 4.38Å; F508-I512 VanDerWaalsContact O-CG1 3.29Å; F508-I512 WeakPolarHBondContact O-CG1 3.44Å; F508-I512 PolarHBondContact O-N 3.07Å; F508-I512 VanDerWaalsContact O-N 3.09Å
509	E	98.9	Very high	98.5	Very high	57 Å²	57	47.6 Å²	47.6	27%	0.266	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-38.3	175.7	-69.3	70	-164.8	0	0	111.6	R152 E506 Y507 I511 I512 Q513	R152-E509 IonicContact CZ-OE1 2.89Å; R152-E509 IonicContact CZ-OE2 3.04Å; R152-E509 VanDerWaalsContact CZ-OE2 3.3Å; R152-E509 IonicContact NH1-OE1 3.1Å; R152-E509 IonicContact NH1-OE2 2.69Å; R152-E509 PolarHBondContact NH1-OE2 3.32Å; R152-E509 IonicContact NH2-OE1 3.88Å; R152-E509 PolarHBondContact NH2-OE1 3.37Å; R152-E509 IonicContact NH2-OE2 2.73Å; R152-E509 PolarHBondContact NH2-OE2 3.14Å; E506-E509 HydrophobicContact CB-CB 4.03Å; E506-E509 HydrophobicContact CB-CG 4.28Å; E506-E509 WeakPolarHBondContact CB-OE2 3.49Å; E506-E509 PolarHBondContact O-N 2.99Å; Y507-E509 VanDerWaalsContact C-N 3.34Å; Y507-E509 PolarHBondContact O-N 3.18Å; E509-I511 PolarHBondContact O-N 3.13Å; E509-I512 PolarHBondContact O-N 3.48Å; E509-Q513 WeakPolarHBondContact O-CB 3.45Å; E509-Q513 PolarHBondContact O-N 2.67Å
510	N	98.8	Very high	98.5	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-43.8	176.1	-62.3	-23.7	0	0	0	111.3	L139 S142 Y502 K503 E506 Y507 F508 I512 Q513 N514	L139-N510 HydrophobicContact CD1-CB 3.61Å; S142-N510 WeakPolarHBondContact CB-ND2 3.3Å; S142-N510 PolarHBondContact OG-ND2 2.99Å; Y502-N510 VanDerWaalsContact CA-OD1 3.3Å; Y502-N510 WeakPolarHBondContact CA-OD1 3.45Å; Y502-N510 HydrophobicContact CD1-CB 3.73Å; Y502-N510 HydrophobicContact CE1-CB 4.26Å; K503-N510 PolarHBondContact N-OD1 3.16Å; K503-N510 VanDerWaalsContact N-OD1 3.13Å; K503-N510 PolarHBondContact O-ND2 3.35Å; E506-N510 PolarHBondContact O-N 3.02Å; E506-N510 PolarHBondContact O-ND2 2.86Å; E506-N510 PolarHBondContact O-OD1 2.96Å; Y507-N510 WeakPolarHBondContact O-CB 3.5Å; Y507-N510 PolarHBondContact O-N 3.11Å; Y507-N510 VanDerWaalsContact O-N 3.17Å; F508-N510 VanDerWaalsContact C-N 3.33Å; F508-N510 PolarHBondContact O-N 3.06Å; N510-I512 PolarHBondContact O-N 2.69Å; N510-Q513 WeakPolarHBondContact O-CB 3.3Å; N510-Q513 PolarHBondContact O-N 3.48Å; N510-N514 PolarHBondContact O-N 3.49Å
511	I	98.6	Very high	98.5	Very high	10 Å²	10	47 Å²	47	5%	0.051	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-39.3	177.1	70	164.3	0	0	0	112	L379 Y414 Y507 F508 E509 Q513 N514 L515	L379-I511 HydrophobicContact CD2-CD1 3.99Å; Y414-I511 HydrophobicContact CE1-CG2 3.85Å; Y414-I511 HydrophobicContact CE2-CG2 4.2Å; Y414-I511 VanDerWaalsContact OH-CA 3.28Å; Y414-I511 WeakPolarHBondContact OH-CA 3.23Å; Y414-I511 WeakPolarHBondContact OH-CB 3.42Å; Y414-I511 VanDerWaalsContact OH-CG2 3.31Å; Y414-I511 WeakPolarHBondContact OH-CG2 3.22Å; Y507-I511 HydrophobicContact CD1-CG2 4.42Å; Y507-I511 HydrophobicContact CD2-CG2 4.08Å; Y507-I511 HydrophobicContact CE1-CG2 3.93Å; Y507-I511 HydrophobicContact CE2-CG2 3.54Å; Y507-I511 HydrophobicContact CG-CG2 4.5Å; Y507-I511 VanDerWaalsContact CZ-CG2 3.46Å; Y507-I511 WeakPolarHBondContact O-CG2 2.99Å; Y507-I511 PolarHBondContact O-N 3.13Å; F508-I511 HydrophobicContact CD2-CD1 4.23Å; F508-I511 WeakPolarHBondContact O-CG1 3.49Å; F508-I511 PolarHBondContact O-N 3.09Å; E509-I511 PolarHBondContact O-N 3.13Å; I511-Q513 VanDerWaalsContact C-N 3.3Å; I511-Q513 PolarHBondContact O-N 3.36Å; I511-N514 PolarHBondContact O-N 2.84Å; I511-L515 WeakPolarHBondContact O-CG 3.36Å; I511-L515 PolarHBondContact O-N 3.26Å
512	I	98.8	Very high	98.4	Very high	12 Å²	12	44.8 Å²	44.8	6%	0.062	22%	0.218	C	C	.	.	H	α-helix	trans	-67.2	-35.7	177.7	-67.8	-54.9	0	0	0	110.5	L160 Y195 F375 L379 F508 E509 N510 L515 K516	L160-I512 HydrophobicContact CD1-CD1 3.44Å; L160-I512 VanDerWaalsContact CD1-CD1 3.44Å; L160-I512 HydrophobicContact CD1-CG1 3.92Å; Y195-I512 HydrophobicContact CD1-CD1 4.24Å; Y195-I512 HydrophobicContact CD1-CG2 4.41Å; Y195-I512 HydrophobicContact CE1-CD1 4.19Å; Y195-I512 HydrophobicContact CE1-CG2 3.82Å; F375-I512 HydrophobicContact CZ-CD1 4.06Å; L379-I512 HydrophobicContact CD2-CD1 4.06Å; F508-I512 HydrophobicContact CD1-CG1 3.98Å; F508-I512 HydrophobicContact CE1-CD1 4.22Å; F508-I512 HydrophobicContact CE1-CG1 3.75Å; F508-I512 HydrophobicContact CZ-CD1 4.41Å; F508-I512 HydrophobicContact CZ-CG1 4.38Å; F508-I512 VanDerWaalsContact O-CG1 3.29Å; F508-I512 WeakPolarHBondContact O-CG1 3.44Å; F508-I512 PolarHBondContact O-N 3.07Å; F508-I512 VanDerWaalsContact O-N 3.09Å; E509-I512 PolarHBondContact O-N 3.48Å; N510-I512 PolarHBondContact O-N 2.69Å; I512-L515 HydrophobicContact CD1-CD1 4.14Å; I512-L515 PolarHBondContact O-N 2.86Å; I512-K516 HydrophobicContact CG2-CD 4.12Å; I512-K516 VanDerWaalsContact CG2-CE 3.5Å; I512-K516 WeakPolarHBondContact O-CG 3.48Å; I512-K516 PolarHBondContact O-N 3.33Å; I512-K516 VanDerWaalsContact O-N 3.09Å
513	Q	98.8	Very high	98.4	Very high	55 Å²	55	43.7 Å²	43.7	26%	0.257	21%	0.214	S	C	.	.	H	α-helix	trans	-63.5	-42.8	173.7	-168.7	-178.4	84.9	0	0	111.1	L500 N501 E509 N510 I511 K516 F517	L500-Q513 HydrophobicContact CD2-CG 3.98Å; N501-Q513 PolarHBondContact O-NE2 3.09Å; N501-Q513 PolarHBondContact O-OE1 3.38Å; E509-Q513 WeakPolarHBondContact O-CB 3.45Å; E509-Q513 PolarHBondContact O-N 2.67Å; N510-Q513 WeakPolarHBondContact O-CB 3.3Å; N510-Q513 PolarHBondContact O-N 3.48Å; I511-Q513 VanDerWaalsContact C-N 3.3Å; I511-Q513 PolarHBondContact O-N 3.36Å; Q513-K516 PolarHBondContact O-N 2.85Å; Q513-F517 VanDerWaalsContact O-CB 3.29Å; Q513-F517 WeakPolarHBondContact O-CB 3.02Å; Q513-F517 PolarHBondContact O-N 3.23Å
514	N	98.8	Very high	98.4	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-41.4	175.8	-73	-14.7	0	0	0	113	Y414 N418 Y502 N510 I511 F517 S518	Y414-N514 PolarHBondContact OH-ND2 3.06Å; N418-N514 WeakPolarHBondContact OD1-CB 3.49Å; Y502-N514 WeakPolarHBondContact CE1-OD1 3.18Å; Y502-N514 PolarHBondContact OH-OD1 2.66Å; N510-N514 PolarHBondContact O-N 3.49Å; I511-N514 PolarHBondContact O-N 2.84Å; N514-F517 PolarHBondContact O-N 2.04Å; N514-S518 WeakPolarHBondContact O-CB 3.14Å; N514-S518 PolarHBondContact O-N 3.15Å; N514-S518 PolarHBondContact O-OG 3.23Å
515	L	98.6	Very high	98.5	Very high	52 Å²	52	41.4 Å²	41.4	27%	0.272	20%	0.202	S	C	.	.	H	α-helix	trans	-61.4	-45.5	175.5	-68.5	177.4	0	0	0	111.7	F375 I511 I512 S518 Q519	F375-L515 HydrophobicContact CE2-CD1 3.82Å; F375-L515 HydrophobicContact CZ-CD1 3.99Å; I511-L515 WeakPolarHBondContact O-CG 3.36Å; I511-L515 PolarHBondContact O-N 3.26Å; I512-L515 HydrophobicContact CD1-CD1 4.14Å; I512-L515 PolarHBondContact O-N 2.86Å; L515-S518 PolarHBondContact O-OG 3.37Å; L515-S518 VanDerWaalsContact O-OG 3.12Å; L515-Q519 WeakPolarHBondContact O-CB 3.33Å; L515-Q519 PolarHBondContact O-N 3Å; L515-Q519 VanDerWaalsContact O-N 3.15Å
516	K	98.8	Very high	98.5	Very high	80 Å²	80	37 Å²	37	35%	0.348	18%	0.178	S	C	.	.	H	α-helix	trans	-62.9	-45.8	177	-72.6	167.5	-177.2	174.5	0	111.8	K194 I512 Q513 S520	K194-K516 VanDerWaalsContact CE-CE 3.48Å; K194-K516 HydrophobicContact CG-CD 4.29Å; K194-K516 HydrophobicContact CG-CG 3.95Å; K194-K516 WeakPolarHBondContact O-CA 3.42Å; K194-K516 WeakPolarHBondContact O-CG 3.15Å; I512-K516 HydrophobicContact CG2-CD 4.12Å; I512-K516 VanDerWaalsContact CG2-CE 3.5Å; I512-K516 WeakPolarHBondContact O-CG 3.48Å; I512-K516 PolarHBondContact O-N 3.33Å; I512-K516 VanDerWaalsContact O-N 3.09Å; Q513-K516 PolarHBondContact O-N 2.85Å; K516-S520 VanDerWaalsContact O-CB 3.26Å; K516-S520 WeakPolarHBondContact O-CB 3.37Å; K516-S520 PolarHBondContact O-N 3.36Å
517	F	98.6	Very high	98.5	Very high	36 Å²	36	40.6 Å²	40.6	16%	0.158	19%	0.19	C	C	.	.	H	α-helix	trans	-64.4	-50.8	-178.1	175.6	-102.6	0	0	0	111.9	E496 E499 L500 Q513 N514 Q519 S520 K521	E496-F517 WeakPolarHBondContact O-CZ 3.34Å; E499-F517 HydrophobicContact CB-CD2 4.17Å; E499-F517 HydrophobicContact CB-CE2 4.1Å; L500-F517 HydrophobicContact CD1-CD1 3.92Å; L500-F517 HydrophobicContact CD1-CE1 4Å; L500-F517 HydrophobicContact CD1-CG 4.31Å; L500-F517 HydrophobicContact CD1-CZ 4.45Å; L500-F517 HydrophobicContact CD2-CB 3.64Å; L500-F517 HydrophobicContact CD2-CD1 4.04Å; L500-F517 HydrophobicContact CD2-CD2 4.14Å; L500-F517 HydrophobicContact CD2-CG 3.67Å; L500-F517 HydrophobicContact CG-CD1 4.21Å; L500-F517 HydrophobicContact CG-CD2 4.26Å; L500-F517 HydrophobicContact CG-CE1 4.5Å; L500-F517 HydrophobicContact CG-CG 4.08Å; Q513-F517 VanDerWaalsContact O-CB 3.29Å; Q513-F517 WeakPolarHBondContact O-CB 3.02Å; Q513-F517 PolarHBondContact O-N 3.23Å; N514-F517 PolarHBondContact O-N 2.04Å; F517-Q519 PolarHBondContact O-N 2.87Å; F517-S520 PolarHBondContact O-N 3.05Å; F517-K521 WeakPolarHBondContact O-CB 3.4Å; F517-K521 PolarHBondContact O-N 2.99Å
518	S	97.9	Very high	98.4	Very high	60 Å²	60	45.5 Å²	45.5	42%	0.42	21%	0.214	S	C	.	.	H	α-helix	trans	-61.3	-43.2	-179.8	56.2	0	0	0	0	112.2	N514 L515 K521 Q522	N514-S518 WeakPolarHBondContact O-CB 3.14Å; N514-S518 PolarHBondContact O-N 3.15Å; N514-S518 PolarHBondContact O-OG 3.23Å; L515-S518 PolarHBondContact O-OG 3.37Å; L515-S518 VanDerWaalsContact O-OG 3.12Å; S518-K521 PolarHBondContact O-N 2.96Å; S518-Q522 PolarHBondContact O-N 3.12Å
519	Q	98.4	Very high	98.4	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-67.8	-42.2	177.4	-173.5	63.4	17.8	0	0	112	N192 S193 L515 F517 K521 Q522 L523	N192-Q519 VanDerWaalsContact O-CG 3.27Å; N192-Q519 WeakPolarHBondContact O-CG 3.5Å; N192-Q519 PolarHBondContact O-NE2 3.3Å; N192-Q519 PolarHBondContact OD1-NE2 3.29Å; N192-Q519 VanDerWaalsContact OD1-NE2 3.17Å; S193-Q519 WeakPolarHBondContact O-CG 3.28Å; L515-Q519 WeakPolarHBondContact O-CB 3.33Å; L515-Q519 PolarHBondContact O-N 3Å; L515-Q519 VanDerWaalsContact O-N 3.15Å; F517-Q519 PolarHBondContact O-N 2.87Å; Q519-K521 PolarHBondContact O-N 3.36Å; Q519-Q522 PolarHBondContact O-N 2.91Å; Q519-L523 HydrophobicContact CG-CD1 4.16Å; Q519-L523 HydrophobicContact CG-CG 4.41Å; Q519-L523 WeakPolarHBondContact O-CG 3.46Å; Q519-L523 PolarHBondContact O-N 3.37Å
520	S	98.4	Very high	98.3	Very high	27 Å²	27	49.4 Å²	49.4	19%	0.189	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-43.7	174.9	-171	0	0	0	0	111.7	K516 F517 Q522 L523 K524	K516-S520 VanDerWaalsContact O-CB 3.26Å; K516-S520 WeakPolarHBondContact O-CB 3.37Å; K516-S520 PolarHBondContact O-N 3.36Å; F517-S520 PolarHBondContact O-N 3.05Å; S520-Q522 VanDerWaalsContact C-N 3.33Å; S520-Q522 PolarHBondContact O-N 3.25Å; S520-L523 PolarHBondContact O-N 3.37Å; S520-K524 WeakPolarHBondContact O-CB 3.41Å; S520-K524 VanDerWaalsContact O-CG 3.31Å; S520-K524 WeakPolarHBondContact O-CG 3.45Å; S520-K524 PolarHBondContact O-N 2.94Å; S520-K524 WeakPolarHBondContact OG-CE 3.4Å
521	K	97	Very high	97.9	Very high	80 Å²	80	53.1 Å²	53.1	35%	0.348	25%	0.251	S	S	.	.	H	α-helix	trans	-57.8	-44.6	175	-172	178.6	179.4	-177.7	0	110.9	E496 F517 S518 Q519 K525	E496-K521 IonicContact OE1-NZ 2.75Å; E496-K521 PolarHBondContact OE1-NZ 3.43Å; F517-K521 WeakPolarHBondContact O-CB 3.4Å; F517-K521 PolarHBondContact O-N 2.99Å; S518-K521 PolarHBondContact O-N 2.96Å; Q519-K521 PolarHBondContact O-N 3.36Å; K521-K525 WeakPolarHBondContact O-CG 3.32Å
522	Q	98	Very high	97.1	Very high	61 Å²	61	54.6 Å²	54.6	29%	0.285	26%	0.257	S	S	.	.	H	α-helix	trans	-63	-48.8	176.2	179	179.7	96.4	0	0	112.3	V205 S518 Q519 S520 K525	V205-Q522 HydrophobicContact CB-CG 4.4Å; V205-Q522 WeakPolarHBondContact O-CG 3.45Å; S518-Q522 PolarHBondContact O-N 3.12Å; Q519-Q522 PolarHBondContact O-N 2.91Å; S520-Q522 VanDerWaalsContact C-N 3.33Å; S520-Q522 PolarHBondContact O-N 3.25Å; Q522-K525 WeakPolarHBondContact O-CB 3.43Å; Q522-K525 PolarHBondContact O-N 3.2Å
523	L	98.8	Very high	96.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-37.8	-175.5	-66	177.2	0	0	0	112.6	V205 I330 M331 V334 Q519 S520 K525 L526	V205-L523 HydrophobicContact CG2-CD2 3.96Å; I330-L523 HydrophobicContact CG2-CD1 3.78Å; I330-L523 HydrophobicContact CG2-CD2 3.88Å; M331-L523 HydrophobicContact CE-CB 4.41Å; M331-L523 HydrophobicContact SD-CD2 3.95Å; V334-L523 HydrophobicContact CG1-CB 3.89Å; V334-L523 HydrophobicContact CG2-CB 3.84Å; Q519-L523 HydrophobicContact CG-CD1 4.16Å; Q519-L523 HydrophobicContact CG-CG 4.41Å; Q519-L523 WeakPolarHBondContact O-CG 3.46Å; Q519-L523 PolarHBondContact O-N 3.37Å; S520-L523 PolarHBondContact O-N 3.37Å; L523-K525 PolarHBondContact O-N 3.01Å; L523-L526 PolarHBondContact O-N 3.49Å
524	K	98.4	Very high	95.9	Very high	92 Å²	92	59 Å²	59	40%	0.4	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-26.5	175.6	-76.1	173.8	-178.8	173.8	0	112.5	V334 E499 S520 L526	V334-K524 HydrophobicContact CB-CG 3.89Å; V334-K524 HydrophobicContact CG1-CG 3.81Å; E499-K524 IonicContact OE1-NZ 3.73Å; S520-K524 WeakPolarHBondContact O-CB 3.41Å; S520-K524 VanDerWaalsContact O-CG 3.31Å; S520-K524 WeakPolarHBondContact O-CG 3.45Å; S520-K524 PolarHBondContact O-N 2.94Å; S520-K524 WeakPolarHBondContact OG-CE 3.4Å; K524-L526 PolarHBondContact O-N 2.91Å; K524-L526 VanDerWaalsContact O-N 3.16Å
525	K	98.1	Very high	95.7	Very high	53 Å²	53	60.3 Å²	60.3	23%	0.23	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-65.1	-15	-179.8	-71.8	-174.1	179	-167.8	0	113.8	V205 H215 K521 Q522 L523 R527 E528 E534	V205-K525 HydrophobicContact CG1-CB 4.44Å; H215-K525 WeakPolarHBondContact CB-O 3.15Å; H215-K525 VanDerWaalsContact CG-O 3.31Å; H215-K525 PolarHBondContact ND1-O 3.06Å; K521-K525 WeakPolarHBondContact O-CG 3.32Å; Q522-K525 WeakPolarHBondContact O-CB 3.43Å; Q522-K525 PolarHBondContact O-N 3.2Å; L523-K525 PolarHBondContact O-N 3.01Å; K525-R527 VanDerWaalsContact C-N 3.26Å; K525-R527 PolarHBondContact O-N 3.26Å; K525-R527 VanDerWaalsContact O-N 3.09Å; K525-E528 PolarHBondContact O-N 3.3Å; K525-E534 VanDerWaalsContact NZ-CD 3.31Å; K525-E534 IonicContact NZ-OE1 3.41Å; K525-E534 PolarHBondContact NZ-OE1 3.21Å; K525-E534 IonicContact NZ-OE2 3.82Å; K525-E534 PolarHBondContact NZ-OE2 2.86Å
526	L	98.6	Very high	95.5	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.026	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-54.2	-38	-171.8	179.7	60.3	0	0	0	114.1	V205 I217 M331 I336 I338 L523 K524	V205-L526 HydrophobicContact CG1-CB 3.93Å; V205-L526 HydrophobicContact CG1-CD1 4.29Å; V205-L526 HydrophobicContact CG2-CB 4.06Å; V205-L526 HydrophobicContact CG2-CD1 4.34Å; I217-L526 HydrophobicContact CD1-CD2 3.86Å; I217-L526 HydrophobicContact CG1-CD1 3.8Å; I217-L526 HydrophobicContact CG1-CD2 3.85Å; I217-L526 HydrophobicContact CG1-CG 4.49Å; M331-L526 HydrophobicContact CE-CB 4.04Å; M331-L526 HydrophobicContact CE-CD2 3.58Å; M331-L526 HydrophobicContact CE-CG 4.45Å; M331-L526 HydrophobicContact SD-CD2 4.4Å; I336-L526 HydrophobicContact CD1-CB 4.25Å; I336-L526 HydrophobicContact CG2-CD2 4.3Å; I338-L526 HydrophobicContact CD1-CD2 3.85Å; L523-L526 PolarHBondContact O-N 3.49Å; K524-L526 PolarHBondContact O-N 2.91Å; K524-L526 VanDerWaalsContact O-N 3.16Å
527	R	98.1	Very high	95.4	Very high	128 Å²	128	57.3 Å²	57.3	48%	0.483	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-102.9	0.8	179.3	-55.2	-53.8	-176.8	-151	3.3	113.4	I336 E342 K525	I336-R527 HydrophobicContact CD1-CG 4.33Å; E342-R527 IonicContact OE1-CZ 3.64Å; E342-R527 IonicContact OE1-NH1 3.72Å; E342-R527 PolarHBondContact OE1-NH1 2.9Å; E342-R527 IonicContact OE1-NH2 3.22Å; E342-R527 PolarHBondContact OE1-NH2 2.97Å; E342-R527 IonicContact OE2-CZ 2.82Å; E342-R527 IonicContact OE2-NH1 3.83Å; E342-R527 IonicContact OE2-NH2 3.78Å; E342-R527 PolarHBondContact OE2-NH2 2.96Å; K525-R527 VanDerWaalsContact C-N 3.26Å; K525-R527 PolarHBondContact O-N 3.26Å; K525-R527 VanDerWaalsContact O-N 3.09Å
528	E	97.6	Very high	95.3	Very high	123 Å²	123	55.6 Å²	55.6	58%	0.575	27%	0.266	S	S	*	.	S	Bend	trans	-91.5	155.2	177.3	-59.9	-59.8	157.7	0	0	110.9	H215 K525	H215-E528 PolarHBondContact ND1-O 3.33Å; K525-E528 PolarHBondContact O-N 3.3Å
529	K	97.8	Very high	95.3	Very high	136 Å²	136	52.8 Å²	52.8	59%	0.591	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-76.7	151.8	171.7	-64.6	-65.3	-178.7	177.6	0	110.7	V213 N214 D531	V213-K529 WeakPolarHBondContact O-CA 3.41Å; V213-K529 VanDerWaalsContact O-CD 3.26Å; V213-K529 WeakPolarHBondContact O-CD 3.41Å; N214-K529 PolarHBondContact OD1-NZ 2.98Å; K529-D531 PolarHBondContact O-N 2.89Å
530	V	96.5	Very high	95.3	Very high	13 Å²	13	52.5 Å²	52.5	8%	0.079	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-66.7	120.1	170.1	178	0	0	0	0	108.7	T207 S212 V213 K532	T207-V530 HydrophobicContact CG2-CG2 3.99Å; S212-V530 WeakPolarHBondContact O-CB 3.34Å; S212-V530 WeakPolarHBondContact O-CG2 3.36Å; V213-V530 PolarHBondContact O-N 3.24Å; V530-K532 HydrophobicContact CG1-CG 4.36Å; V530-K532 PolarHBondContact O-N 3.5Å
531	D	90.8	Very high	95.3	Very high	82 Å²	82	52.9 Å²	52.9	44%	0.439	25%	0.247	S	C	.	.			trans	-75.7	99.1	168.4	179.6	-2.9	0	0	0	108.7	K529 D533 E534 R550	K529-D531 PolarHBondContact O-N 2.89Å; D531-D533 PolarHBondContact O-N 3.25Å; D531-D533 VanDerWaalsContact O-N 3.16Å; D531-D533 WeakPolarHBondContact OD1-CA 3.37Å; D531-D533 WeakPolarHBondContact OD1-CB 3.48Å; D531-D533 PolarHBondContact OD1-N 3.07Å; D531-E534 HydrophobicContact CB-CB 4.29Å; D531-E534 WeakPolarHBondContact O-CB 3.15Å; D531-E534 PolarHBondContact O-N 3.4Å; D531-E534 PolarHBondContact OD1-N 2.8Å; D531-R550 PolarHBondContact O-NH1 3.05Å
532	K	82.9	Confident	95.4	Very high	41 Å²	41	49.3 Å²	49.3	18%	0.178	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-4.6	179.9	-66.1	-164.5	175.5	-171.2	0	113.5	S212 R479 V530 D600	S212-K532 PolarHBondContact OG-NZ 3.02Å; R479-K532 PolarHBondContact NH2-O 2.03Å; V530-K532 HydrophobicContact CG1-CG 4.36Å; V530-K532 PolarHBondContact O-N 3.5Å; K532-D600 PolarHBondContact NZ-O 3.11Å
533	D	81.9	Confident	95.3	Very high	102 Å²	102	48.8 Å²	48.8	55%	0.545	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-17.2	172.8	-65.8	-39.9	0	0	0	113.8	R479 D531 W535	R479-D533 IonicContact CZ-OD1 3.83Å; R479-D533 IonicContact NH2-OD1 3.73Å; R479-D533 PolarHBondContact NH2-OD1 2.84Å; D531-D533 PolarHBondContact O-N 3.25Å; D531-D533 VanDerWaalsContact O-N 3.16Å; D531-D533 WeakPolarHBondContact OD1-CA 3.37Å; D531-D533 WeakPolarHBondContact OD1-CB 3.48Å; D531-D533 PolarHBondContact OD1-N 3.07Å; D533-W535 PolarHBondContact O-N 2.71Å
534	E	90.2	Very high	95.3	Very high	57 Å²	57	49 Å²	49	27%	0.266	23%	0.233	S	C	.	.	S	Bend	trans	-57	125.7	170.5	-172.1	-178.7	-156.2	0	0	109.9	K525 D531 R550	K525-E534 VanDerWaalsContact NZ-CD 3.31Å; K525-E534 IonicContact NZ-OE1 3.41Å; K525-E534 PolarHBondContact NZ-OE1 3.21Å; K525-E534 IonicContact NZ-OE2 3.82Å; K525-E534 PolarHBondContact NZ-OE2 2.86Å; D531-E534 HydrophobicContact CB-CB 4.29Å; D531-E534 WeakPolarHBondContact O-CB 3.15Å; D531-E534 PolarHBondContact O-N 3.4Å; D531-E534 PolarHBondContact OD1-N 2.8Å; E534-R550 PolarHBondContact O-NH1 3.24Å; E534-R550 IonicContact OE2-CZ 3.85Å; E534-R550 IonicContact OE2-NH2 2.8Å; E534-R550 PolarHBondContact OE2-NH2 3.32Å
535	W	94.9	Very high	95.2	Very high	30 Å²	30	47.6 Å²	47.6	11%	0.114	23%	0.226	C	C	.	.			trans	-73.5	145	173.9	-75.2	46.8	0	0	0	109.7	R479 I480 Y482 P483 D533 S537 V554	R479-W535 HydrophobicContact CB-CD2 3.82Å; R479-W535 HydrophobicContact CB-CE3 4.01Å; R479-W535 HydrophobicContact CB-CH2 3.76Å; R479-W535 HydrophobicContact CB-CZ2 3.59Å; R479-W535 HydrophobicContact CB-CZ3 3.97Å; R479-W535 HydrophobicContact CG-CD2 4.18Å; R479-W535 HydrophobicContact CG-CG 4.4Å; R479-W535 HydrophobicContact CG-CZ2 4.32Å; I480-W535 VanDerWaalsContact N-CH2 3.3Å; Y482-W535 VanDerWaalsContact N-CH2 3.27Å; Y482-W535 WeakPolarHBondContact O-CZ2 3.14Å; P483-W535 HydrophobicContact CB-CZ2 4.42Å; P483-W535 HydrophobicContact CG-CD2 3.75Å; P483-W535 HydrophobicContact CG-CE3 4.42Å; P483-W535 HydrophobicContact CG-CG 3.81Å; P483-W535 HydrophobicContact CG-CZ2 4.27Å; D533-W535 PolarHBondContact O-N 2.71Å; W535-S537 VanDerWaalsContact C-N 3.28Å; W535-V554 HydrophobicContact CD2-CG1 4.39Å; W535-V554 HydrophobicContact CE3-CG1 3.49Å; W535-V554 VanDerWaalsContact CE3-CG1 3.49Å; W535-V554 HydrophobicContact CZ3-CG1 3.73Å
536	I	93.2	Very high	95.3	Very high	58 Å²	58	46.6 Å²	46.6	30%	0.297	22%	0.222	S	C	.	.	S	Bend	trans	-84.6	-2	177.2	65.3	-175.5	0	0	0	113.3	F545 V554	I536-F545 HydrophobicContact CD1-CB 3.62Å; I536-F545 HydrophobicContact CG1-CB 4.15Å; I536-V554 HydrophobicContact CD1-CG2 3.89Å; I536-V554 HydrophobicContact CG1-CB 4.23Å; I536-V554 HydrophobicContact CG1-CG2 3.59Å
537	S	96.9	Very high	95.2	Very high	11 Å²	11	47.8 Å²	47.8	8%	0.077	23%	0.23	C	C	.	.	S	Bend	trans	-155.5	146.7	178.9	-165.5	0	0	0	0	111.3	W535 F545	W535-S537 VanDerWaalsContact C-N 3.28Å; S537-F545 VanDerWaalsContact CB-CE2 3.49Å; S537-F545 WeakPolarHBondContact OG-CE2 3.25Å
538	G	96.9	Very high	95.2	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.01	21%	0.214	C	C	.	.			trans	-71.3	166.5	169.4	0	0	0	0	0	113.9	V541 P556	G538-V541 WeakPolarHBondContact O-CG2 3.5Å; G538-P556 WeakPolarHBondContact O-CB 3.21Å
539	A	98	Very high	95	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	19%	0.194	C	C	.	.	S	Bend	trans	-72.6	-32.7	-174	0	0	0	0	0	114.6	V428 G481 V541 P556 A557 G558	V428-A539 HydrophobicContact CG1-CB 3.88Å; G481-A539 WeakPolarHBondContact O-CB 3.45Å; A539-V541 PolarHBondContact O-N 3.45Å; A539-P556 WeakPolarHBondContact O-CB 3.41Å; A539-A557 HydrophobicContact CB-CB 4.43Å; A539-A557 PolarHBondContact O-N 3.27Å; A539-G558 PolarHBondContact O-N 2.93Å; A539-G558 VanDerWaalsContact O-N 3.08Å
540	A	98.4	Very high	95	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.008	17%	0.171	C	C	.	.	S	Bend	trans	-85.1	57.4	-176.9	0	0	0	0	0	111.8	L118 N416 Y427	L118-A540 HydrophobicContact CD2-CB 4.11Å; N416-A540 PolarHBondContact ND2-O 3.26Å; Y427-A540 HydrophobicContact CD1-CB 3.9Å; Y427-A540 HydrophobicContact CD2-CB 4.23Å; Y427-A540 HydrophobicContact CG-CB 3.66Å
541	V	98.6	Very high	95.1	Very high	36 Å²	36	31.8 Å²	31.8	22%	0.218	17%	0.167	C	C	.	.			trans	-135.6	128.3	-175.8	177.1	0	0	0	0	109.9	G538 A539 N543 F545 P556 G558 I559	G538-V541 WeakPolarHBondContact O-CG2 3.5Å; A539-V541 PolarHBondContact O-N 3.45Å; V541-N543 HydrophobicContact CG1-CB 3.81Å; V541-N543 PolarHBondContact O-N 2.86Å; V541-F545 HydrophobicContact CG1-CE2 4.02Å; V541-F545 HydrophobicContact CG1-CZ 4.11Å; V541-P556 HydrophobicContact CB-CB 4.09Å; V541-P556 HydrophobicContact CB-CG 4.12Å; V541-P556 WeakPolarHBondContact O-CB 3.42Å; V541-G558 CarbonylContact O-C 3.42Å; V541-G558 VanDerWaalsContact O-CA 3.29Å; V541-G558 WeakPolarHBondContact O-CA 3.44Å; V541-I559 PolarHBondContact O-N 3.15Å
542	V	98.3	Very high	95.5	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.03	15%	0.146	C	C	.	.	S	Bend	trans	-91.4	79.2	170.1	-168.1	0	0	0	0	108.8	F107 L110 R111 L114	F107-V542 HydrophobicContact CD1-CG1 4.28Å; L110-V542 HydrophobicContact CB-CG1 3.94Å; L110-V542 HydrophobicContact CB-CG2 4.25Å; L110-V542 HydrophobicContact CD1-CG1 4.28Å; R111-V542 HydrophobicContact CG-CB 3.84Å; R111-V542 HydrophobicContact CG-CG2 3.99Å; R111-V542 PolarHBondContact NE-O 3.05Å; R111-V542 PolarHBondContact NH2-O 3.47Å; L114-V542 HydrophobicContact CB-CG2 4.24Å; L114-V542 HydrophobicContact CD1-CG2 3.79Å
543	N	97.1	Very high	96.2	Very high	49 Å²	49	25.9 Å²	25.9	26%	0.262	14%	0.138	S	C	.	.			trans	-165.6	177.4	173.8	-149.7	14.1	0	0	0	110.6	V541 F545 P556 I559	V541-N543 HydrophobicContact CG1-CB 3.81Å; V541-N543 PolarHBondContact O-N 2.86Å; N543-F545 HydrophobicContact CB-CE1 4.34Å; N543-F545 HydrophobicContact CB-CE2 3.86Å; N543-F545 HydrophobicContact CB-CZ 3.64Å; N543-F545 VanDerWaalsContact ND2-CE1 3.26Å; N543-F545 WeakPolarHBondContact ND2-CE1 3.45Å; N543-F545 WeakPolarHBondContact ND2-CZ 3.16Å; N543-P556 VanDerWaalsContact O-CD 3.28Å; N543-P556 WeakPolarHBondContact O-CD 3.41Å; N543-I559 WeakPolarHBondContact O-CB 3.26Å; N543-I559 WeakPolarHBondContact O-CG2 3.31Å
544	A	97.4	Very high	97	Very high	6 Å²	6	21 Å²	21	5%	0.05	11%	0.112	C	C	.	.			trans	-134.6	164.8	163.8	0	0	0	0	0	109.5	V554 F555 I559 V581 E585	A544-V554 WeakPolarHBondContact CA-O 3.31Å; A544-F555 HydrophobicContact CB-CD1 3.73Å; A544-F555 HydrophobicContact CB-CE1 3.98Å; A544-I559 HydrophobicContact CB-CD1 4.3Å; A544-V581 HydrophobicContact CB-CG1 3.52Å; A544-E585 VanDerWaalsContact C-OE1 3.31Å; A544-E585 HydrophobicContact CB-CG 3.8Å; A544-E585 WeakPolarHBondContact CB-OE1 3.19Å
545	F	98.2	Very high	97.4	Very high	61 Å²	61	18.3 Å²	18.3	27%	0.268	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	148.3	-172.7	-52.6	-86	0	0	0	113.5	I536 S537 V541 N543 I553 V554 P556 E585	I536-F545 HydrophobicContact CD1-CB 3.62Å; I536-F545 HydrophobicContact CG1-CB 4.15Å; S537-F545 VanDerWaalsContact CB-CE2 3.49Å; S537-F545 WeakPolarHBondContact OG-CE2 3.25Å; V541-F545 HydrophobicContact CG1-CE2 4.02Å; V541-F545 HydrophobicContact CG1-CZ 4.11Å; N543-F545 HydrophobicContact CB-CE1 4.34Å; N543-F545 HydrophobicContact CB-CE2 3.86Å; N543-F545 HydrophobicContact CB-CZ 3.64Å; N543-F545 VanDerWaalsContact ND2-CE1 3.26Å; N543-F545 WeakPolarHBondContact ND2-CE1 3.45Å; N543-F545 WeakPolarHBondContact ND2-CZ 3.16Å; F545-I553 CarbonylContact O-C 3.4Å; F545-I553 WeakPolarHBondContact O-CA 3.28Å; F545-V554 PolarHBondContact N-O 2.85Å; F545-V554 VanDerWaalsContact N-O 3.12Å; F545-V554 PolarHBondContact O-N 3.02Å; F545-P556 HydrophobicContact CE2-CG 4.32Å; F545-E585 VanDerWaalsContact CA-OE2 3.22Å; F545-E585 WeakPolarHBondContact CA-OE2 3.36Å; F545-E585 PolarHBondContact N-OE2 2.98Å
546	Y	98.6	Very high	97.6	Very high	33 Å²	33	16.9 Å²	16.9	13%	0.129	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.5	164.2	173	-100	0	0	0	111.2	K472 S548 N551 Q552 I553 E585 H588 G589	K472-Y546 PolarHBondContact NZ-OH 2.91Å; Y546-S548 WeakPolarHBondContact CE1-OG 3.49Å; Y546-N551 PolarHBondContact OH-OD1 2.88Å; Y546-Q552 CarbonylContact C-O 3.21Å; Y546-Q552 WeakPolarHBondContact CA-O 3.25Å; Y546-Q552 WeakPolarHBondContact CD2-O 3.49Å; Y546-I553 HydrophobicContact CD2-CG2 3.79Å; Y546-E585 PolarHBondContact N-OE2 3.47Å; Y546-H588 HydrophobicContact CD1-CB 3.57Å; Y546-H588 HydrophobicContact CE1-CB 4.4Å; Y546-H588 HydrophobicContact CG-CB 3.73Å; Y546-G589 WeakPolarHBondContact OH-CA 3.3Å
547	S	98.1	Very high	97.8	Very high	29 Å²	29	14.2 Å²	14.2	20%	0.203	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.3	173.2	178	0	0	0	0	111.4	G549 R550 N551 Q552	S547-G549 PolarHBondContact O-N 2.91Å; S547-R550 PolarHBondContact O-N 3.23Å; S547-N551 WeakPolarHBondContact O-CA 3.49Å; S547-N551 PolarHBondContact O-N 2.97Å; S547-Q552 PolarHBondContact N-O 2.92Å; S547-Q552 PolarHBondContact O-N 3.11Å
548	S	97	Very high	97.8	Very high	21 Å²	21	13.7 Å²	13.7	15%	0.147	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-57	-47.8	178.8	-57.6	0	0	0	0	113.1	Y546 R550 N551 N593 G601	Y546-S548 WeakPolarHBondContact CE1-OG 3.49Å; S548-R550 PolarHBondContact O-N 2.6Å; S548-N551 PolarHBondContact O-N 2.66Å; S548-N593 PolarHBondContact OG-OD1 3.48Å; S548-G601 VanDerWaalsContact O-CA 3.24Å; S548-G601 WeakPolarHBondContact O-CA 3.43Å
549	G	94.4	Very high	97.9	Very high	15 Å²	15	13.7 Å²	13.7	16%	0.155	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-68.7	-17.1	-178.6	0	0	0	0	0	114.8	S212 S547 G601	S212-G549 WeakPolarHBondContact CB-O 3.4Å; S547-G549 PolarHBondContact O-N 2.91Å; G549-G601 WeakPolarHBondContact CA-O 3.36Å
550	R	97.1	Very high	97.9	Very high	26 Å²	26	14.1 Å²	14.1	10%	0.098	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-107.4	-11.4	177.4	-66.8	169.6	177.4	-92.6	-5.4	112.9	D531 E534 S547 S548 Q552	D531-R550 PolarHBondContact O-NH1 3.05Å; E534-R550 PolarHBondContact O-NH1 3.24Å; E534-R550 IonicContact OE2-CZ 3.85Å; E534-R550 IonicContact OE2-NH2 2.8Å; E534-R550 PolarHBondContact OE2-NH2 3.32Å; S547-R550 PolarHBondContact O-N 3.23Å; S548-R550 PolarHBondContact O-N 2.6Å; R550-Q552 HydrophobicContact CB-CB 3.81Å; R550-Q552 PolarHBondContact O-N 3.44Å
551	N	98.2	Very high	97.9	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.011	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	53.2	-165.7	-166.2	29.4	0	0	0	111	K472 I476 K477 Y546 S547 S548 K599	K472-N551 PolarHBondContact O-ND2 3.01Å; I476-N551 CarbonylContact C-O 3.23Å; I476-N551 WeakPolarHBondContact CA-O 3.38Å; I476-N551 WeakPolarHBondContact CG1-OD1 3.35Å; I476-N551 PolarHBondContact N-ND2 3.47Å; K477-N551 PolarHBondContact N-O 3.45Å; Y546-N551 PolarHBondContact OH-OD1 2.88Å; S547-N551 WeakPolarHBondContact O-CA 3.49Å; S547-N551 PolarHBondContact O-N 2.97Å; S548-N551 PolarHBondContact O-N 2.66Å; N551-K599 PolarHBondContact ND2-O 3.3Å
552	Q	98.3	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.4	-169.3	-178.4	-178.7	86.3	0	0	111.2	K477 R479 Y546 S547 R550 V554	K477-Q552 HydrophobicContact CB-CB 4.36Å; K477-Q552 HydrophobicContact CB-CG 4.3Å; K477-Q552 CarbonylContact O-C 3.51Å; K477-Q552 VanDerWaalsContact O-CA 3.24Å; K477-Q552 WeakPolarHBondContact O-CA 3.24Å; K477-Q552 WeakPolarHBondContact O-CG 3.41Å; R479-Q552 HydrophobicContact CG-CG 3.88Å; Y546-Q552 CarbonylContact C-O 3.21Å; Y546-Q552 WeakPolarHBondContact CA-O 3.25Å; Y546-Q552 WeakPolarHBondContact CD2-O 3.49Å; S547-Q552 PolarHBondContact N-O 2.92Å; S547-Q552 PolarHBondContact O-N 3.11Å; R550-Q552 HydrophobicContact CB-CB 3.81Å; R550-Q552 PolarHBondContact O-N 3.44Å; Q552-V554 HydrophobicContact CG-CG2 3.98Å
553	I	98.6	Very high	97.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.1	170.4	60.5	-177.3	0	0	0	110	I444 I476 K477 E478 R479 F545 Y546 F555 E585 I586	I444-I553 HydrophobicContact CG2-CD1 4.06Å; I476-I553 HydrophobicContact CG2-CB 4.34Å; I476-I553 HydrophobicContact CG2-CD1 3.84Å; I476-I553 HydrophobicContact CG2-CG1 3.78Å; I476-I553 HydrophobicContact CG2-CG2 3.83Å; K477-I553 PolarHBondContact O-N 3.03Å; E478-I553 CarbonylContact C-O 3.51Å; E478-I553 HydrophobicContact CB-CD1 4.23Å; E478-I553 HydrophobicContact CB-CG1 3.99Å; R479-I553 PolarHBondContact N-O 3.23Å; F545-I553 CarbonylContact O-C 3.4Å; F545-I553 WeakPolarHBondContact O-CA 3.28Å; Y546-I553 HydrophobicContact CD2-CG2 3.79Å; I553-F555 HydrophobicContact CB-CE2 4.08Å; I553-F555 HydrophobicContact CB-CZ 4.27Å; I553-F555 HydrophobicContact CD1-CE2 3.76Å; I553-F555 HydrophobicContact CD1-CZ 4.15Å; I553-F555 HydrophobicContact CG1-CE2 3.85Å; I553-F555 HydrophobicContact CG1-CZ 4.41Å; I553-E585 HydrophobicContact CB-CB 4.12Å; I553-E585 HydrophobicContact CG2-CB 3.73Å; I553-I586 HydrophobicContact CD1-CG1 3.94Å
554	V	98.6	Very high	97.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.3	-176.8	-173.9	0	0	0	0	111.1	R479 W535 I536 A544 F545 Q552 P556	R479-V554 HydrophobicContact CB-CB 4.24Å; R479-V554 HydrophobicContact CB-CG1 4.04Å; R479-V554 HydrophobicContact CB-CG2 3.84Å; R479-V554 HydrophobicContact CG-CG2 4.04Å; R479-V554 WeakPolarHBondContact O-CA 3.35Å; W535-V554 HydrophobicContact CD2-CG1 4.39Å; W535-V554 HydrophobicContact CE3-CG1 3.49Å; W535-V554 VanDerWaalsContact CE3-CG1 3.49Å; W535-V554 HydrophobicContact CZ3-CG1 3.73Å; I536-V554 HydrophobicContact CD1-CG2 3.89Å; I536-V554 HydrophobicContact CG1-CB 4.23Å; I536-V554 HydrophobicContact CG1-CG2 3.59Å; A544-V554 WeakPolarHBondContact CA-O 3.31Å; F545-V554 PolarHBondContact N-O 2.85Å; F545-V554 VanDerWaalsContact N-O 3.12Å; F545-V554 PolarHBondContact O-N 3.02Å; Q552-V554 HydrophobicContact CG-CG2 3.98Å; V554-P556 HydrophobicContact CG1-CG 4.31Å; V554-P556 WeakPolarHBondContact O-CD 3.38Å
555	F	98.4	Very high	97.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	87.8	174.4	-52.3	-81.4	0	0	0	109.4	I444 R479 G481 A544 I553 I559 L560 I578 V581 I582 E585	I444-F555 HydrophobicContact CD1-CD2 3.7Å; I444-F555 HydrophobicContact CD1-CE2 3.63Å; I444-F555 HydrophobicContact CG1-CE2 4.06Å; R479-F555 PolarHBondContact O-N 3.45Å; G481-F555 PolarHBondContact N-O 2.88Å; A544-F555 HydrophobicContact CB-CD1 3.73Å; A544-F555 HydrophobicContact CB-CE1 3.98Å; I553-F555 HydrophobicContact CB-CE2 4.08Å; I553-F555 HydrophobicContact CB-CZ 4.27Å; I553-F555 HydrophobicContact CD1-CE2 3.76Å; I553-F555 HydrophobicContact CD1-CZ 4.15Å; I553-F555 HydrophobicContact CG1-CE2 3.85Å; I553-F555 HydrophobicContact CG1-CZ 4.41Å; F555-I559 HydrophobicContact CB-CG2 4.42Å; F555-L560 HydrophobicContact CB-CD2 4.16Å; F555-I578 HydrophobicContact CD1-CD1 4.38Å; F555-V581 HydrophobicContact CD1-CG1 4.33Å; F555-V581 HydrophobicContact CE1-CG1 4.11Å; F555-I582 HydrophobicContact CD1-CG1 4.29Å; F555-I582 HydrophobicContact CE1-CB 4.27Å; F555-I582 HydrophobicContact CE1-CG1 3.7Å; F555-I582 HydrophobicContact CE2-CG1 4.09Å; F555-I582 HydrophobicContact CZ-CB 4.01Å; F555-I582 HydrophobicContact CZ-CG1 3.61Å; F555-I582 HydrophobicContact CZ-CG2 4.3Å; F555-E585 HydrophobicContact CE1-CB 4.23Å; F555-E585 HydrophobicContact CE1-CG 3.67Å; F555-E585 HydrophobicContact CZ-CB 3.99Å; F555-E585 HydrophobicContact CZ-CG 3.94Å
556	P	98.4	Very high	97.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	150.7	176.1	-25.2	34.8	0	0	0	112.8	G538 A539 V541 N543 F545 V554 G558 I559	G538-P556 WeakPolarHBondContact O-CB 3.21Å; A539-P556 WeakPolarHBondContact O-CB 3.41Å; V541-P556 HydrophobicContact CB-CB 4.09Å; V541-P556 HydrophobicContact CB-CG 4.12Å; V541-P556 WeakPolarHBondContact O-CB 3.42Å; N543-P556 VanDerWaalsContact O-CD 3.28Å; N543-P556 WeakPolarHBondContact O-CD 3.41Å; F545-P556 HydrophobicContact CE2-CG 4.32Å; V554-P556 HydrophobicContact CG1-CG 4.31Å; V554-P556 WeakPolarHBondContact O-CD 3.38Å; P556-G558 PolarHBondContact O-N 3.2Å; P556-I559 WeakPolarHBondContact O-CG2 3.29Å; P556-I559 PolarHBondContact O-N 3.08Å
557	A	98.1	Very high	97.7	Very high	2 Å²	2	14.3 Å²	14.3	2%	0.017	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-51.9	-33.3	178.5	0	0	0	0	0	113.1	Y427 V428 F432 G481 A539 I559 L560	Y427-A557 HydrophobicContact CD1-CB 4.35Å; Y427-A557 HydrophobicContact CE1-CB 3.96Å; V428-A557 HydrophobicContact CG1-CB 3.75Å; F432-A557 HydrophobicContact CB-CB 4.11Å; F432-A557 HydrophobicContact CD1-CB 4.4Å; F432-A557 HydrophobicContact CD2-CB 3.63Å; F432-A557 HydrophobicContact CE2-CB 4.14Å; F432-A557 HydrophobicContact CG-CB 3.78Å; G481-A557 PolarHBondContact O-N 2.72Å; A539-A557 HydrophobicContact CB-CB 4.43Å; A539-A557 PolarHBondContact O-N 3.27Å; A557-I559 VanDerWaalsContact C-N 3.29Å; A557-I559 PolarHBondContact O-N 2.91Å; A557-L560 PolarHBondContact O-N 2.78Å; A557-L560 VanDerWaalsContact O-N 3.11Å
558	G	97.9	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-63.7	-20.9	179.5	0	0	0	0	0	116.1	Y427 A539 V541 P556 Q561	Y427-G558 WeakPolarHBondContact OH-CA 3.13Å; A539-G558 PolarHBondContact O-N 2.93Å; A539-G558 VanDerWaalsContact O-N 3.08Å; V541-G558 CarbonylContact O-C 3.42Å; V541-G558 VanDerWaalsContact O-CA 3.29Å; V541-G558 WeakPolarHBondContact O-CA 3.44Å; P556-G558 PolarHBondContact O-N 3.2Å; G558-Q561 PolarHBondContact O-NE2 3.35Å
559	I	98.2	Very high	97.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-93.3	-15	172.9	-157.2	167.9	0	0	0	112.8	F107 V541 N543 A544 F555 P556 A557 Q561 F564 I578 V581	F107-I559 HydrophobicContact CE1-CD1 4.41Å; V541-I559 PolarHBondContact O-N 3.15Å; N543-I559 WeakPolarHBondContact O-CB 3.26Å; N543-I559 WeakPolarHBondContact O-CG2 3.31Å; A544-I559 HydrophobicContact CB-CD1 4.3Å; F555-I559 HydrophobicContact CB-CG2 4.42Å; P556-I559 WeakPolarHBondContact O-CG2 3.29Å; P556-I559 PolarHBondContact O-N 3.08Å; A557-I559 VanDerWaalsContact C-N 3.29Å; A557-I559 PolarHBondContact O-N 2.91Å; I559-Q561 PolarHBondContact O-N 2.83Å; I559-F564 HydrophobicContact CD1-CD1 4.45Å; I559-F564 HydrophobicContact CD1-CE1 4.24Å; I559-F564 HydrophobicContact CD1-CZ 4.31Å; I559-F564 HydrophobicContact CG1-CD1 4.24Å; I559-F564 HydrophobicContact CG1-CD2 3.8Å; I559-F564 HydrophobicContact CG1-CE1 4.31Å; I559-F564 HydrophobicContact CG1-CE2 3.9Å; I559-F564 HydrophobicContact CG1-CG 3.98Å; I559-F564 HydrophobicContact CG1-CZ 4.17Å; I559-F564 WeakPolarHBondContact O-CB 3.39Å; I559-I578 HydrophobicContact CG2-CD1 4.16Å; I559-V581 HydrophobicContact CD1-CG1 4.11Å
560	L	97.9	Very high	97.8	Very high	9 Å²	9	17.6 Å²	17.6	5%	0.047	10%	0.1	C	C	.	.	S	Bend	trans	-83.9	52.7	-175.8	-57.6	-176.9	0	0	0	112	F432 V440 I480 F555 A557 F565 I578	F432-L560 HydrophobicContact CE2-CB 3.91Å; F432-L560 HydrophobicContact CE2-CD1 3.82Å; F432-L560 HydrophobicContact CE2-CG 4.48Å; F432-L560 HydrophobicContact CZ-CD1 4Å; V440-L560 HydrophobicContact CG1-CD2 4.08Å; V440-L560 HydrophobicContact CG2-CD1 4.29Å; V440-L560 HydrophobicContact CG2-CD2 3.95Å; I480-L560 HydrophobicContact CG2-CD1 3.92Å; F555-L560 HydrophobicContact CB-CD2 4.16Å; A557-L560 PolarHBondContact O-N 2.78Å; A557-L560 VanDerWaalsContact O-N 3.11Å; L560-F565 HydrophobicContact CB-CD1 4.45Å; L560-I578 HydrophobicContact CD2-CD1 3.66Å; L560-I578 HydrophobicContact CD2-CG1 3.94Å
561	Q	97.4	Very high	97.8	Very high	45 Å²	45	18.2 Å²	18.2	21%	0.21	11%	0.105	C	C	.	.	S	Bend	trans	-145.2	165.2	-179.1	59.9	177.9	-37.7	0	0	110.8	L110 G558 I559 F564 F565	L110-Q561 HydrophobicContact CD2-CG 4.41Å; G558-Q561 PolarHBondContact O-NE2 3.35Å; I559-Q561 PolarHBondContact O-N 2.83Å; Q561-F564 WeakPolarHBondContact O-CB 3.39Å; Q561-F564 PolarHBondContact O-N 3.06Å; Q561-F565 CarbonylContact C-O 3.01Å; Q561-F565 VanDerWaalsContact CA-O 3.24Å; Q561-F565 WeakPolarHBondContact CA-O 3.46Å; Q561-F565 PolarHBondContact O-N 2.97Å
562	P	97.9	Very high	97.9	Very high	72 Å²	72	18.1 Å²	18.1	47%	0.468	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	143.1	176.6	-26.9	36.7	0	0	0	111.7	L110 F565	L110-P562 WeakPolarHBondContact CD2-O 3.4Å; P562-F565 VanDerWaalsContact CD-O 3.23Å; P562-F565 WeakPolarHBondContact CD-O 3.36Å
563	P	98	Very high	97.9	Very high	10 Å²	10	18.1 Å²	18.1	7%	0.065	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.1	-1.1	6.6	35.8	-34.7	0	0	0	114.6	N689 V693	P563-N689 PolarHBondContact O-ND2 2.98Å; P563-V693 HydrophobicContact CG-CG2 4.32Å
564	F	98.3	Very high	97.9	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-51.5	-177.7	-57.8	-82.4	0	0	0	111.5	F107 L110 I559 Q561 I578 V581 V693	F107-F564 HydrophobicContact CD1-CZ 4.23Å; F107-F564 HydrophobicContact CD2-CZ 4.22Å; F107-F564 HydrophobicContact CE1-CE1 4.35Å; F107-F564 AromaticContact CE1-CZ 3.7Å; F107-F564 HydrophobicContact CE1-CZ 3.7Å; F107-F564 HydrophobicContact CE2-CE1 4.08Å; F107-F564 AromaticContact CE2-CZ 3.69Å; F107-F564 HydrophobicContact CE2-CZ 3.69Å; F107-F564 HydrophobicContact CG-CZ 4.49Å; F107-F564 AromaticContact CZ-CE1 3.73Å; F107-F564 HydrophobicContact CZ-CE1 3.73Å; F107-F564 AromaticContact CZ-CZ 3.41Å; F107-F564 HydrophobicContact CZ-CZ 3.41Å; F107-F564 VanDerWaalsContact CZ-CZ 3.41Å; L110-F564 HydrophobicContact CD1-CD2 4.07Å; L110-F564 HydrophobicContact CD1-CE2 3.56Å; I559-F564 HydrophobicContact CD1-CD1 4.45Å; I559-F564 HydrophobicContact CD1-CE1 4.24Å; I559-F564 HydrophobicContact CD1-CZ 4.31Å; I559-F564 HydrophobicContact CG1-CD1 4.24Å; I559-F564 HydrophobicContact CG1-CD2 3.8Å; I559-F564 HydrophobicContact CG1-CE1 4.31Å; I559-F564 HydrophobicContact CG1-CE2 3.9Å; I559-F564 HydrophobicContact CG1-CG 3.98Å; I559-F564 HydrophobicContact CG1-CZ 4.17Å; I559-F564 WeakPolarHBondContact O-CB 3.39Å; Q561-F564 WeakPolarHBondContact O-CB 3.39Å; Q561-F564 PolarHBondContact O-N 3.06Å; F564-I578 HydrophobicContact CB-CB 4.18Å; F564-I578 HydrophobicContact CB-CD1 4.44Å; F564-I578 WeakPolarHBondContact O-CB 3.34Å; F564-I578 PolarHBondContact O-N 3.35Å; F564-V581 HydrophobicContact CD1-CG2 3.91Å; F564-V581 HydrophobicContact CE1-CG2 4.07Å; F564-V693 HydrophobicContact CD1-CG1 4.25Å; F564-V693 HydrophobicContact CD1-CG2 4.03Å; F564-V693 HydrophobicContact CE1-CB 4.28Å; F564-V693 HydrophobicContact CE1-CG1 3.36Å; F564-V693 HydrophobicContact CE1-CG2 3.92Å; F564-V693 HydrophobicContact CZ-CG1 3.85Å
565	F	98.4	Very high	97.9	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	11%	0.106	C	C	.	.			trans	-144.8	138.2	-171.9	178.6	-103.6	0	0	0	113.4	V439 V440 L443 L560 Q561 P562 A567 N574 I578	V439-F565 HydrophobicContact CB-CE2 4.21Å; V439-F565 HydrophobicContact CB-CZ 3.8Å; V439-F565 HydrophobicContact CG1-CE2 3.64Å; V439-F565 HydrophobicContact CG1-CZ 3.71Å; V440-F565 HydrophobicContact CG2-CD1 4.19Å; V440-F565 HydrophobicContact CG2-CD2 4.14Å; V440-F565 HydrophobicContact CG2-CE1 4.11Å; V440-F565 HydrophobicContact CG2-CE2 4.04Å; V440-F565 HydrophobicContact CG2-CG 4.21Å; V440-F565 HydrophobicContact CG2-CZ 4.03Å; L443-F565 HydrophobicContact CD1-CD2 4.34Å; L443-F565 HydrophobicContact CD1-CE2 4.29Å; L560-F565 HydrophobicContact CB-CD1 4.45Å; Q561-F565 CarbonylContact C-O 3.01Å; Q561-F565 VanDerWaalsContact CA-O 3.24Å; Q561-F565 WeakPolarHBondContact CA-O 3.46Å; Q561-F565 PolarHBondContact O-N 2.97Å; P562-F565 VanDerWaalsContact CD-O 3.23Å; P562-F565 WeakPolarHBondContact CD-O 3.36Å; F565-A567 HydrophobicContact CZ-CB 4.15Å; F565-N574 WeakPolarHBondContact CA-OD1 3.36Å; F565-I578 HydrophobicContact CB-CB 4Å; F565-I578 HydrophobicContact CB-CG1 4.45Å; F565-I578 HydrophobicContact CB-CG2 3.86Å; F565-I578 HydrophobicContact CD2-CG2 3.85Å; F565-I578 HydrophobicContact CG-CG2 4.26Å
566	S	96.8	Very high	97.9	Very high	18 Å²	18	18.4 Å²	18.4	13%	0.126	11%	0.106	C	C	.	.			trans	-154.3	137.9	156.4	161	0	0	0	0	108.2	Q568 Q569 N574	S566-Q568 PolarHBondContact O-N 3.42Å; S566-Q568 VanDerWaalsContact O-N 3.1Å; S566-Q568 PolarHBondContact OG-N 2.85Å; S566-Q568 VanDerWaalsContact OG-N 3.09Å; S566-Q568 PolarHBondContact OG-OE1 3.21Å; S566-Q568 VanDerWaalsContact OG-OE1 3.12Å; S566-Q569 WeakPolarHBondContact O-CG 3.19Å; S566-Q569 PolarHBondContact O-N 3.26Å; S566-Q569 PolarHBondContact OG-N 3.49Å; S566-N574 PolarHBondContact N-OD1 3.38Å; S566-N574 PolarHBondContact O-ND2 3.03Å; S566-N574 PolarHBondContact O-OD1 2.94Å
567	A	95.1	Very high	97.9	Very high	48 Å²	48	18.4 Å²	18.4	40%	0.397	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.4	174.9	0	0	0	0	0	112.9	V439 F565	V439-A567 HydrophobicContact CG2-CB 4.4Å; F565-A567 HydrophobicContact CZ-CB 4.15Å
568	Q	95.7	Very high	98	Very high	118 Å²	118	18.3 Å²	18.3	55%	0.551	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-9	-177.7	-62.2	75.3	27.8	0	0	113.6	D61 S566	D61-Q568 HydrophobicContact CB-CB 3.87Å; S566-Q568 PolarHBondContact O-N 3.42Å; S566-Q568 VanDerWaalsContact O-N 3.1Å; S566-Q568 PolarHBondContact OG-N 2.85Å; S566-Q568 VanDerWaalsContact OG-N 3.09Å; S566-Q568 PolarHBondContact OG-OE1 3.21Å; S566-Q568 VanDerWaalsContact OG-OE1 3.12Å
569	Q	97.3	Very high	98	Very high	8 Å²	8	18.3 Å²	18.3	4%	0.037	11%	0.106	C	C	.	.	S	Bend	trans	-86.4	158.7	173.9	76.3	178.2	-0.6	0	0	111.4	S566 L573 N574	S566-Q569 WeakPolarHBondContact O-CG 3.19Å; S566-Q569 PolarHBondContact O-N 3.26Å; S566-Q569 PolarHBondContact OG-N 3.49Å; Q569-L573 HydrophobicContact CB-CD1 4.43Å; Q569-L573 HydrophobicContact CG-CB 4.3Å; Q569-N574 VanDerWaalsContact CG-OD1 3.24Å; Q569-N574 WeakPolarHBondContact CG-OD1 3.18Å; Q569-N574 PolarHBondContact NE2-OD1 3.43Å
570	S	98.4	Very high	98	Very high	9 Å²	9	18.4 Å²	18.4	6%	0.063	11%	0.106	C	C	.	.			trans	-55.6	142	177.5	-51.8	0	0	0	0	111.9	S572 L573 N574	S570-S572 VanDerWaalsContact C-N 3.28Å; S570-S572 PolarHBondContact O-N 2.86Å; S570-L573 WeakPolarHBondContact O-CB 3.49Å; S570-L573 PolarHBondContact O-N 2.83Å; S570-N574 PolarHBondContact O-N 3.44Å
571	N	98.6	Very high	98.1	Very high	38 Å²	38	18.4 Å²	18.4	20%	0.203	11%	0.107	C	C	.	.	H	α-helix	trans	-63.6	-35.4	-177.4	-67.2	-78.1	0	0	0	111.6	L573 N574 Y575 Y662 Y665 E672	N571-L573 PolarHBondContact O-N 3.06Å; N571-N574 PolarHBondContact O-N 3.34Å; N571-Y575 HydrophobicContact CB-CD2 4.05Å; N571-Y575 HydrophobicContact CB-CE2 4.01Å; N571-Y575 VanDerWaalsContact O-CD2 3.25Å; N571-Y575 WeakPolarHBondContact O-CD2 3.18Å; N571-Y575 PolarHBondContact O-N 3.28Å; N571-Y662 HydrophobicContact CB-CE2 4.42Å; N571-Y665 HydrophobicContact CB-CD1 4.23Å; N571-Y665 HydrophobicContact CB-CE1 3.9Å; N571-Y665 VanDerWaalsContact ND2-CZ 3.31Å; N571-Y665 PolarHBondContact ND2-OH 2.91Å; N571-E672 WeakPolarHBondContact CB-OE1 3.47Å; N571-E672 WeakPolarHBondContact CB-OE2 3.47Å; N571-E672 PolarHBondContact N-OE1 3.47Å; N571-E672 PolarHBondContact N-OE2 3.37Å; N571-E672 VanDerWaalsContact N-OE2 3.15Å; N571-E672 PolarHBondContact ND2-OE1 3.28Å
572	S	98.8	Very high	98.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-49.9	-36.5	172.1	70.4	0	0	0	0	112.9	S570 G576 E672 H682 F686	S570-S572 VanDerWaalsContact C-N 3.28Å; S570-S572 PolarHBondContact O-N 2.86Å; S572-G576 PolarHBondContact O-N 3.46Å; S572-G576 VanDerWaalsContact O-N 3.12Å; S572-E672 PolarHBondContact N-OE2 2.62Å; S572-H682 WeakPolarHBondContact CB-O 3.23Å; S572-H682 PolarHBondContact OG-ND1 3.42Å; S572-F686 WeakPolarHBondContact O-CA 3.33Å
573	L	98.8	Very high	98.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-76.2	-44	176.2	-50.4	-178.2	0	0	0	111.3	L69 Q569 S570 N571 G576 G577 L675 L685 N689	L69-L573 HydrophobicContact CD1-CD1 4.47Å; L69-L573 HydrophobicContact CD1-CD2 4.08Å; Q569-L573 HydrophobicContact CB-CD1 4.43Å; Q569-L573 HydrophobicContact CG-CB 4.3Å; S570-L573 WeakPolarHBondContact O-CB 3.49Å; S570-L573 PolarHBondContact O-N 2.83Å; N571-L573 PolarHBondContact O-N 3.06Å; L573-G576 PolarHBondContact O-N 3.01Å; L573-G577 WeakPolarHBondContact O-CA 2.98Å; L573-G577 PolarHBondContact O-N 3.34Å; L573-L675 HydrophobicContact CD1-CD1 4.27Å; L573-L685 HydrophobicContact CD2-CB 4.21Å; L573-N689 HydrophobicContact CB-CB 4.34Å; L573-N689 HydrophobicContact CD2-CB 3.7Å; L573-N689 PolarHBondContact O-ND2 3.25Å
574	N	98.8	Very high	98.2	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-58.6	-48.8	176.4	-73.8	-30.8	0	0	0	111.9	F565 S566 Q569 S570 N571 G577 I578 G579	F565-N574 WeakPolarHBondContact CA-OD1 3.36Å; S566-N574 PolarHBondContact N-OD1 3.38Å; S566-N574 PolarHBondContact O-ND2 3.03Å; S566-N574 PolarHBondContact O-OD1 2.94Å; Q569-N574 VanDerWaalsContact CG-OD1 3.24Å; Q569-N574 WeakPolarHBondContact CG-OD1 3.18Å; Q569-N574 PolarHBondContact NE2-OD1 3.43Å; S570-N574 PolarHBondContact O-N 3.44Å; N571-N574 PolarHBondContact O-N 3.34Å; N574-G577 CarbonylContact O-C 3.58Å; N574-G577 PolarHBondContact O-N 3.43Å; N574-I578 WeakPolarHBondContact O-CG2 3.48Å; N574-I578 PolarHBondContact O-N 3.43Å; N574-G579 PolarHBondContact O-N 2.68Å
575	Y	98.9	Very high	98.3	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.008	8%	0.076	C	C	.	.	I	π-helix	trans	-66.7	-40.6	177.6	-73.6	-85.3	0	0	0	111.8	L443 Q446 N571 G577 G579 M580 A658 A661 Y662 Y665 F686	L443-Y575 HydrophobicContact CD2-CD1 4.2Å; L443-Y575 HydrophobicContact CD2-CE1 3.6Å; L443-Y575 HydrophobicContact CD2-CE2 4.05Å; Q446-Y575 PolarHBondContact NE2-OH 3.35Å; Q446-Y575 PolarHBondContact OE1-OH 2.85Å; N571-Y575 HydrophobicContact CB-CD2 4.05Å; N571-Y575 HydrophobicContact CB-CE2 4.01Å; N571-Y575 VanDerWaalsContact O-CD2 3.25Å; N571-Y575 WeakPolarHBondContact O-CD2 3.18Å; N571-Y575 PolarHBondContact O-N 3.28Å; Y575-G577 VanDerWaalsContact C-N 3.25Å; Y575-G577 PolarHBondContact O-N 3.32Å; Y575-G579 CarbonylContact O-C 3.6Å; Y575-G579 VanDerWaalsContact O-CA 3.28Å; Y575-G579 WeakPolarHBondContact O-CA 3.19Å; Y575-G579 PolarHBondContact O-N 3.18Å; Y575-M580 PolarHBondContact O-N 3.14Å; Y575-A658 WeakPolarHBondContact O-CB 3.2Å; Y575-A661 HydrophobicContact CD1-CB 3.89Å; Y575-A661 HydrophobicContact CE1-CB 3.64Å; Y575-Y662 AromaticContact CD2-CD2 3.61Å; Y575-Y662 HydrophobicContact CD2-CD2 3.61Å; Y575-Y662 HydrophobicContact CD2-CG 4.26Å; Y575-Y662 HydrophobicContact CE2-CD2 4.18Å; Y575-Y662 HydrophobicContact CG-CD2 4.2Å; Y575-Y662 HydrophobicContact CG-CG 4.43Å; Y575-Y665 HydrophobicContact CE2-CD2 4.3Å; Y575-Y665 HydrophobicContact CE2-CG 4.04Å; Y575-F686 VanDerWaalsContact C-CE2 3.45Å
576	G	98.8	Very high	98.3	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.01	8%	0.075	C	C	.	.	I	π-helix	trans	-71.1	-18.8	176.4	0	0	0	0	0	114.3	S572 L573 F686 F690	S572-G576 PolarHBondContact O-N 3.46Å; S572-G576 VanDerWaalsContact O-N 3.12Å; L573-G576 PolarHBondContact O-N 3.01Å; G576-F686 VanDerWaalsContact CA-CE2 3.49Å; G576-F686 VanDerWaalsContact N-CD2 3.33Å; G576-F686 VanDerWaalsContact N-CE2 3.33Å; G576-F690 WeakPolarHBondContact O-CA 3.48Å; G576-F690 WeakPolarHBondContact O-CB 3.29Å; G576-F690 PolarHBondContact O-N 2.86Å
577	G	98.7	Very high	98.4	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.01	7%	0.069	C	C	.	.	I	π-helix	trans	-99.3	-98	176.7	0	0	0	0	0	111.3	L573 N574 Y575 G579 M580 V581	L573-G577 WeakPolarHBondContact O-CA 2.98Å; L573-G577 PolarHBondContact O-N 3.34Å; N574-G577 CarbonylContact O-C 3.58Å; N574-G577 PolarHBondContact O-N 3.43Å; Y575-G577 VanDerWaalsContact C-N 3.25Å; Y575-G577 PolarHBondContact O-N 3.32Å; G577-G579 VanDerWaalsContact C-N 3.25Å; G577-G579 PolarHBondContact O-N 2.79Å; G577-M580 PolarHBondContact O-N 2.92Å; G577-V581 PolarHBondContact O-N 3.12Å
578	I	98.8	Very high	98.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-62.1	-30.8	-177.5	-163.9	63	0	0	0	112.9	L443 F555 I559 L560 F564 F565 N574 M580 V581 I582	L443-I578 HydrophobicContact CD1-CG2 3.87Å; F555-I578 HydrophobicContact CD1-CD1 4.38Å; I559-I578 HydrophobicContact CG2-CD1 4.16Å; L560-I578 HydrophobicContact CD2-CD1 3.66Å; L560-I578 HydrophobicContact CD2-CG1 3.94Å; F564-I578 HydrophobicContact CB-CB 4.18Å; F564-I578 HydrophobicContact CB-CD1 4.44Å; F564-I578 WeakPolarHBondContact O-CB 3.34Å; F564-I578 PolarHBondContact O-N 3.35Å; F565-I578 HydrophobicContact CB-CB 4Å; F565-I578 HydrophobicContact CB-CG1 4.45Å; F565-I578 HydrophobicContact CB-CG2 3.86Å; F565-I578 HydrophobicContact CD2-CG2 3.85Å; F565-I578 HydrophobicContact CG-CG2 4.26Å; N574-I578 WeakPolarHBondContact O-CG2 3.48Å; N574-I578 PolarHBondContact O-N 3.43Å; I578-M580 PolarHBondContact O-N 3.21Å; I578-V581 HydrophobicContact CD1-CB 4.29Å; I578-V581 PolarHBondContact O-N 3.47Å; I578-I582 HydrophobicContact CG1-CD1 4.08Å; I578-I582 HydrophobicContact CG1-CG1 4.36Å; I578-I582 WeakPolarHBondContact O-CD1 3.31Å; I578-I582 VanDerWaalsContact O-CG1 3.25Å; I578-I582 WeakPolarHBondContact O-CG1 3.42Å; I578-I582 PolarHBondContact O-N 3.31Å
579	G	98.8	Very high	98.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.027	C	C	.	.	I	π-helix	trans	-63.3	-42.1	176.4	0	0	0	0	0	112.4	I447 N574 Y575 G577 I582 G583 A658	I447-G579 VanDerWaalsContact CD1-CA 3.49Å; I447-G579 WeakPolarHBondContact CD1-O 3.36Å; N574-G579 PolarHBondContact O-N 2.68Å; Y575-G579 CarbonylContact O-C 3.6Å; Y575-G579 VanDerWaalsContact O-CA 3.28Å; Y575-G579 WeakPolarHBondContact O-CA 3.19Å; Y575-G579 PolarHBondContact O-N 3.18Å; G577-G579 VanDerWaalsContact C-N 3.25Å; G577-G579 PolarHBondContact O-N 2.79Å; G579-I582 PolarHBondContact O-N 3.47Å; G579-G583 PolarHBondContact O-N 3.04Å; G579-A658 VanDerWaalsContact C-CB 3.48Å
580	M	98.8	Very high	98.8	Very high	3 Å²	3	4.8 Å²	4.8	2%	0.015	3%	0.026	C	C	.	.	H	α-helix	trans	-64.1	-41.5	173.8	176.9	-94.2	172.8	0	0	111.3	Y575 G577 I578 I582 G583 H584 D651 I655 A658 F690 W694	Y575-M580 PolarHBondContact O-N 3.14Å; G577-M580 PolarHBondContact O-N 2.92Å; I578-M580 PolarHBondContact O-N 3.21Å; M580-I582 VanDerWaalsContact C-N 3.34Å; M580-I582 PolarHBondContact O-N 2.67Å; M580-G583 PolarHBondContact O-N 3.07Å; M580-H584 VanDerWaalsContact O-CB 3.31Å; M580-H584 WeakPolarHBondContact O-CB 3.24Å; M580-H584 PolarHBondContact O-N 2.91Å; M580-D651 HydrophobicContact CE-CB 4.16Å; M580-D651 VanDerWaalsContact CE-OD1 3.23Å; M580-D651 WeakPolarHBondContact CE-OD1 3.39Å; M580-I655 HydrophobicContact CB-CD1 4Å; M580-I655 HydrophobicContact CG-CB 4.08Å; M580-I655 HydrophobicContact CG-CD1 3.84Å; M580-A658 HydrophobicContact CB-CB 4.29Å; M580-F690 HydrophobicContact CE-CD2 4.29Å; M580-F690 HydrophobicContact CE-CE2 3.65Å; M580-F690 HydrophobicContact CG-CD2 3.88Å; M580-F690 HydrophobicContact CG-CE2 4.11Å; M580-F690 HydrophobicContact SD-CD2 3.94Å; M580-F690 HydrophobicContact SD-CE2 3.9Å; M580-W694 HydrophobicContact CE-CZ2 4.27Å; M580-W694 HydrophobicContact SD-CZ2 4.42Å
581	V	98.8	Very high	98.8	Very high	9 Å²	9	5 Å²	5	6%	0.055	3%	0.026	C	C	.	.	H	α-helix	trans	-62.4	-41.1	175.3	-179.4	0	0	0	0	111.2	A544 F555 I559 F564 G577 I578 H584 E585	A544-V581 HydrophobicContact CB-CG1 3.52Å; F555-V581 HydrophobicContact CD1-CG1 4.33Å; F555-V581 HydrophobicContact CE1-CG1 4.11Å; I559-V581 HydrophobicContact CD1-CG1 4.11Å; F564-V581 HydrophobicContact CD1-CG2 3.91Å; F564-V581 HydrophobicContact CE1-CG2 4.07Å; G577-V581 PolarHBondContact O-N 3.12Å; I578-V581 HydrophobicContact CD1-CB 4.29Å; I578-V581 PolarHBondContact O-N 3.47Å; V581-H584 WeakPolarHBondContact O-CB 3.31Å; V581-H584 PolarHBondContact O-N 3.06Å; V581-E585 WeakPolarHBondContact O-CG 3.35Å; V581-E585 PolarHBondContact O-N 2.83Å
582	I	98.9	Very high	98.8	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-61.4	-48.7	175.6	-70.8	159.3	0	0	0	111.2	V440 L443 I444 I447 F555 I578 G579 M580 H584 E585 I586	V440-I582 HydrophobicContact CG1-CD1 4.49Å; L443-I582 HydrophobicContact CB-CD1 3.96Å; I444-I582 HydrophobicContact CB-CG2 4.36Å; I444-I582 HydrophobicContact CG1-CD1 3.7Å; I444-I582 HydrophobicContact CG1-CG1 3.85Å; I444-I582 HydrophobicContact CG1-CG2 3.81Å; I447-I582 HydrophobicContact CB-CG2 3.95Å; I447-I582 HydrophobicContact CD1-CB 3.77Å; I447-I582 HydrophobicContact CD1-CD1 4.09Å; I447-I582 HydrophobicContact CD1-CG2 3.69Å; I447-I582 HydrophobicContact CG1-CG2 4.44Å; I447-I582 HydrophobicContact CG2-CG2 3.98Å; F555-I582 HydrophobicContact CD1-CG1 4.29Å; F555-I582 HydrophobicContact CE1-CB 4.27Å; F555-I582 HydrophobicContact CE1-CG1 3.7Å; F555-I582 HydrophobicContact CE2-CG1 4.09Å; F555-I582 HydrophobicContact CZ-CB 4.01Å; F555-I582 HydrophobicContact CZ-CG1 3.61Å; F555-I582 HydrophobicContact CZ-CG2 4.3Å; I578-I582 HydrophobicContact CG1-CD1 4.08Å; I578-I582 HydrophobicContact CG1-CG1 4.36Å; I578-I582 WeakPolarHBondContact O-CD1 3.31Å; I578-I582 VanDerWaalsContact O-CG1 3.25Å; I578-I582 WeakPolarHBondContact O-CG1 3.42Å; I578-I582 PolarHBondContact O-N 3.31Å; G579-I582 PolarHBondContact O-N 3.47Å; M580-I582 VanDerWaalsContact C-N 3.34Å; M580-I582 PolarHBondContact O-N 2.67Å; I582-H584 VanDerWaalsContact C-N 3.25Å; I582-H584 PolarHBondContact O-N 3.3Å; I582-E585 PolarHBondContact O-N 3.49Å; I582-I586 HydrophobicContact CG2-CD1 3.98Å; I582-I586 WeakPolarHBondContact O-CG1 3.34Å; I582-I586 PolarHBondContact O-N 2.72Å
583	G	98.9	Very high	98.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62.6	-34.6	177.3	0	0	0	0	0	112.4	G579 M580 T587 Q657	G579-G583 PolarHBondContact O-N 3.04Å; M580-G583 PolarHBondContact O-N 3.07Å; G583-T587 VanDerWaalsContact O-CB 3.25Å; G583-T587 WeakPolarHBondContact O-CB 3.37Å; G583-T587 PolarHBondContact O-N 2.79Å; G583-T587 PolarHBondContact O-OG1 3.42Å; G583-Q657 VanDerWaalsContact CA-OE1 3.27Å; G583-Q657 PolarHBondContact O-OE1 2.74Å
584	H	98.9	Very high	98.8	Very high	10 Å²	10	7.3 Å²	7.3	5%	0.046	4%	0.039	C	C	.	.	H	α-helix	trans	-60.9	-52.4	174.6	-179	94.7	0	0	0	111	M580 V581 I582 I586 T587 H588 E647 A650 D651 R718	M580-H584 VanDerWaalsContact O-CB 3.31Å; M580-H584 WeakPolarHBondContact O-CB 3.24Å; M580-H584 PolarHBondContact O-N 2.91Å; V581-H584 WeakPolarHBondContact O-CB 3.31Å; V581-H584 PolarHBondContact O-N 3.06Å; I582-H584 VanDerWaalsContact C-N 3.25Å; I582-H584 PolarHBondContact O-N 3.3Å; H584-I586 PolarHBondContact O-N 2.83Å; H584-T587 PolarHBondContact O-N 3.45Å; H584-T587 VanDerWaalsContact O-N 3.11Å; H584-H588 AromaticContact CD2-CD2 3.79Å; H584-H588 AromaticContact CD2-NE2 3.52Å; H584-H588 AromaticContact CE1-NE2 3.8Å; H584-H588 AromaticContact NE2-CD2 3.87Å; H584-H588 AromaticContact NE2-CE1 3.99Å; H584-H588 AromaticContact NE2-NE2 3.1Å; H584-H588 PolarHBondContact NE2-NE2 3.43Å; H584-H588 VanDerWaalsContact NE2-NE2 3.1Å; H584-H588 PolarHBondContact O-N 3.35Å; H584-E647 IonicContact CE1-OE2 2.79Å; H584-E647 PolarHBondContact CE1-OE2 3.07Å; H584-E647 VanDerWaalsContact CE1-OE2 3.26Å; H584-E647 IonicContact NE2-OE2 2.68Å; H584-E647 PolarHBondContact NE2-OE2 3.4Å; H584-E647 VanDerWaalsContact NE2-OE2 3.16Å; H584-A650 WeakPolarHBondContact CE1-CB 3.43Å; H584-A650 VanDerWaalsContact ND1-C 3.25Å; H584-A650 VanDerWaalsContact ND1-CB 3.29Å; H584-A650 WeakPolarHBondContact ND1-CB 3.42Å; H584-D651 IonicContact CE1-OD1 2.64Å; H584-D651 PolarHBondContact CE1-OD1 2.88Å; H584-D651 PolarHBondContact ND1-N 3.09Å; H584-D651 IonicContact ND1-OD1 4Å; H584-D651 PolarHBondContact ND1-OD1 3.16Å; H584-R718 PolarHBondContact CE1-NH2 3.3Å
585	E	98.9	Very high	98.8	Very high	10 Å²	10	7.9 Å²	7.9	5%	0.047	4%	0.041	C	C	.	.	H	α-helix	trans	-65.6	-35	178.7	-58.4	-49.9	149.6	0	0	113.6	A544 F545 Y546 I553 F555 V581 I582 T587 H588	A544-E585 VanDerWaalsContact C-OE1 3.31Å; A544-E585 HydrophobicContact CB-CG 3.8Å; A544-E585 WeakPolarHBondContact CB-OE1 3.19Å; F545-E585 VanDerWaalsContact CA-OE2 3.22Å; F545-E585 WeakPolarHBondContact CA-OE2 3.36Å; F545-E585 PolarHBondContact N-OE2 2.98Å; Y546-E585 PolarHBondContact N-OE2 3.47Å; I553-E585 HydrophobicContact CB-CB 4.12Å; I553-E585 HydrophobicContact CG2-CB 3.73Å; F555-E585 HydrophobicContact CE1-CB 4.23Å; F555-E585 HydrophobicContact CE1-CG 3.67Å; F555-E585 HydrophobicContact CZ-CB 3.99Å; F555-E585 HydrophobicContact CZ-CG 3.94Å; V581-E585 WeakPolarHBondContact O-CG 3.35Å; V581-E585 PolarHBondContact O-N 2.83Å; I582-E585 PolarHBondContact O-N 3.49Å; E585-T587 VanDerWaalsContact C-N 3.33Å; E585-H588 IonicContact OE2-CD2 2.74Å
586	I	98.9	Very high	98.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-64.8	-42.5	172.8	-68.5	175.7	0	0	0	110.1	I447 R448 F451 I476 I553 I582 H584 H588 G589 F590	I447-I586 HydrophobicContact CG2-CD1 4.1Å; R448-I586 HydrophobicContact CB-CD1 4.16Å; F451-I586 HydrophobicContact CB-CG2 4.35Å; F451-I586 HydrophobicContact CD2-CG2 4.14Å; F451-I586 HydrophobicContact CG-CG2 4.09Å; I476-I586 HydrophobicContact CD1-CG2 4.02Å; I553-I586 HydrophobicContact CD1-CG1 3.94Å; I582-I586 HydrophobicContact CG2-CD1 3.98Å; I582-I586 WeakPolarHBondContact O-CG1 3.34Å; I582-I586 PolarHBondContact O-N 2.72Å; H584-I586 PolarHBondContact O-N 2.83Å; I586-H588 VanDerWaalsContact C-N 3.29Å; I586-H588 PolarHBondContact O-N 3.12Å; I586-G589 PolarHBondContact O-N 2.98Å; I586-F590 WeakPolarHBondContact O-CD2 3.44Å
587	T	98.9	Very high	98.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-67.7	-28	-178.2	-57.3	0	0	0	0	112.4	G583 H584 E585 G589 F590 D591 I649 A650 Q657 W750	G583-T587 VanDerWaalsContact O-CB 3.25Å; G583-T587 WeakPolarHBondContact O-CB 3.37Å; G583-T587 PolarHBondContact O-N 2.79Å; G583-T587 PolarHBondContact O-OG1 3.42Å; H584-T587 PolarHBondContact O-N 3.45Å; H584-T587 VanDerWaalsContact O-N 3.11Å; E585-T587 VanDerWaalsContact C-N 3.33Å; T587-G589 PolarHBondContact O-N 3.46Å; T587-F590 CarbonylContact O-C 3.59Å; T587-F590 WeakPolarHBondContact O-CA 3.28Å; T587-F590 PolarHBondContact O-N 3.37Å; T587-D591 PolarHBondContact O-N 2.81Å; T587-I649 HydrophobicContact CG2-CG2 3.97Å; T587-A650 HydrophobicContact CG2-CB 4.42Å; T587-Q657 PolarHBondContact OG1-NE2 2.88Å; T587-Q657 PolarHBondContact OG1-OE1 2.97Å; T587-W750 HydrophobicContact CG2-CB 4.45Å; T587-W750 VanDerWaalsContact CG2-CD1 3.44Å; T587-W750 HydrophobicContact CG2-CG 4.1Å
588	H	98.8	Very high	98.7	Very high	14 Å²	14	9.7 Å²	9.7	7%	0.065	5%	0.05	C	C	.	.	H	α-helix	trans	-58	-26.8	169.4	-82.6	-51.2	0	0	0	113.3	Y546 H584 E585 I586 F590 D591 G594 E647	Y546-H588 HydrophobicContact CD1-CB 3.57Å; Y546-H588 HydrophobicContact CE1-CB 4.4Å; Y546-H588 HydrophobicContact CG-CB 3.73Å; H584-H588 AromaticContact CD2-CD2 3.79Å; H584-H588 AromaticContact CD2-NE2 3.52Å; H584-H588 AromaticContact CE1-NE2 3.8Å; H584-H588 AromaticContact NE2-CD2 3.87Å; H584-H588 AromaticContact NE2-CE1 3.99Å; H584-H588 AromaticContact NE2-NE2 3.1Å; H584-H588 PolarHBondContact NE2-NE2 3.43Å; H584-H588 VanDerWaalsContact NE2-NE2 3.1Å; H584-H588 PolarHBondContact O-N 3.35Å; E585-H588 IonicContact OE2-CD2 2.74Å; I586-H588 VanDerWaalsContact C-N 3.29Å; I586-H588 PolarHBondContact O-N 3.12Å; H588-F590 PolarHBondContact O-N 2.96Å; H588-D591 IonicContact CE1-OD2 3.49Å; H588-D591 IonicContact CG-OD2 2.77Å; H588-D591 IonicContact ND1-OD2 3.36Å; H588-D591 PolarHBondContact ND1-OD2 3.5Å; H588-G594 WeakPolarHBondContact O-CA 3.25Å; H588-E647 VanDerWaalsContact CE1-CD 3.47Å; H588-E647 IonicContact CE1-OE1 3.53Å; H588-E647 PolarHBondContact CE1-OE1 2.84Å; H588-E647 IonicContact CE1-OE2 2.85Å; H588-E647 IonicContact NE2-OE1 3.85Å; H588-E647 IonicContact NE2-OE2 3.34Å; H588-E647 PolarHBondContact NE2-OE2 2.95Å
589	G	98.8	Very high	98.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-12.8	169	0	0	0	0	0	114.2	K472 Y546 I586 T587 G594 R595	K472-G589 WeakPolarHBondContact CE-O 3.31Å; K472-G589 PolarHBondContact NZ-O 2.79Å; Y546-G589 WeakPolarHBondContact OH-CA 3.3Å; I586-G589 PolarHBondContact O-N 2.98Å; T587-G589 PolarHBondContact O-N 3.46Å; G589-G594 CarbonylContact O-C 3.47Å; G589-G594 VanDerWaalsContact O-C 3.23Å; G589-R595 PolarHBondContact O-N 3.31Å
590	F	98.9	Very high	98.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	11.6	-170.8	-54.5	-85	0	0	0	113.2	F451 A469 K472 A473 I476 I586 T587 H588 W606 F615 W750	F451-F590 HydrophobicContact CD1-CE2 4.33Å; F451-F590 AromaticContact CE1-CD2 3.89Å; F451-F590 HydrophobicContact CE1-CD2 3.89Å; F451-F590 HydrophobicContact CE1-CE1 4.17Å; F451-F590 AromaticContact CE1-CE2 3.47Å; F451-F590 HydrophobicContact CE1-CE2 3.47Å; F451-F590 VanDerWaalsContact CE1-CE2 3.47Å; F451-F590 HydrophobicContact CE1-CG 4.41Å; F451-F590 AromaticContact CE1-CZ 3.62Å; F451-F590 HydrophobicContact CE1-CZ 3.62Å; F451-F590 AromaticContact CE2-CD2 3.82Å; F451-F590 HydrophobicContact CE2-CD2 3.82Å; F451-F590 HydrophobicContact CE2-CE2 4.18Å; F451-F590 HydrophobicContact CE2-CG 4.33Å; F451-F590 HydrophobicContact CZ-CB 4.35Å; F451-F590 HydrophobicContact CZ-CD1 4.03Å; F451-F590 AromaticContact CZ-CD2 3.27Å; F451-F590 HydrophobicContact CZ-CD2 3.27Å; F451-F590 HydrophobicContact CZ-CE1 4.13Å; F451-F590 AromaticContact CZ-CE2 3.38Å; F451-F590 HydrophobicContact CZ-CE2 3.38Å; F451-F590 AromaticContact CZ-CG 3.62Å; F451-F590 HydrophobicContact CZ-CG 3.62Å; F451-F590 AromaticContact CZ-CZ 3.82Å; F451-F590 HydrophobicContact CZ-CZ 3.82Å; A469-F590 HydrophobicContact CB-CD1 4.44Å; A469-F590 HydrophobicContact CB-CE1 3.98Å; A469-F590 WeakPolarHBondContact O-CZ 3.36Å; K472-F590 HydrophobicContact CB-CE1 3.99Å; K472-F590 HydrophobicContact CB-CZ 3.99Å; K472-F590 HydrophobicContact CD-CD1 4.47Å; K472-F590 HydrophobicContact CD-CE1 3.83Å; K472-F590 HydrophobicContact CD-CZ 4.07Å; K472-F590 HydrophobicContact CG-CE1 4.06Å; K472-F590 HydrophobicContact CG-CZ 3.89Å; A473-F590 HydrophobicContact CB-CE2 4.3Å; A473-F590 HydrophobicContact CB-CZ 3.91Å; I476-F590 HydrophobicContact CD1-CE2 4.22Å; I586-F590 WeakPolarHBondContact O-CD2 3.44Å; T587-F590 CarbonylContact O-C 3.59Å; T587-F590 WeakPolarHBondContact O-CA 3.28Å; T587-F590 PolarHBondContact O-N 3.37Å; H588-F590 PolarHBondContact O-N 2.96Å; F590-W606 HydrophobicContact CD1-CH2 4.05Å; F590-W606 HydrophobicContact CD1-CZ2 4.4Å; F590-W606 HydrophobicContact CE1-CH2 4.15Å; F590-F615 WeakPolarHBondContact O-CE2 3.48Å; F590-W750 HydrophobicContact CB-CD2 4.24Å; F590-W750 HydrophobicContact CB-CH2 3.88Å; F590-W750 HydrophobicContact CB-CZ2 3.39Å; F590-W750 HydrophobicContact CB-CZ3 4.5Å; F590-W750 HydrophobicContact CD1-CH2 4.27Å; F590-W750 HydrophobicContact CG-CH2 4.39Å; F590-W750 HydrophobicContact CG-CZ2 4.35Å; F590-W750 VanDerWaalsContact O-CE2 3.27Å; F590-W750 WeakPolarHBondContact O-CZ2 3.32Å; F590-W750 PolarHBondContact O-NE1 2.9Å
591	D	98.8	Very high	98.6	Very high	13 Å²	13	16.9 Å²	16.9	7%	0.07	8%	0.084	C	C	.	.	S	Bend	trans	-73.7	-172.4	172.1	71.9	21.2	0	0	0	112	T587 H588 N593 G594 R595 I649	T587-D591 PolarHBondContact O-N 2.81Å; H588-D591 IonicContact CE1-OD2 3.49Å; H588-D591 IonicContact CG-OD2 2.77Å; H588-D591 IonicContact ND1-OD2 3.36Å; H588-D591 PolarHBondContact ND1-OD2 3.5Å; D591-N593 PolarHBondContact O-N 2.93Å; D591-N593 WeakPolarHBondContact OD1-CA 3.41Å; D591-N593 WeakPolarHBondContact OD1-CB 3.27Å; D591-N593 PolarHBondContact OD1-N 2.89Å; D591-G594 PolarHBondContact OD1-N 3.05Å; D591-R595 WeakPolarHBondContact O-CB 3.18Å; D591-R595 WeakPolarHBondContact O-CG 3.39Å; D591-R595 PolarHBondContact O-N 3.18Å; D591-R595 VanDerWaalsContact O-N 3.07Å; D591-I649 HydrophobicContact CB-CB 4.47Å; D591-I649 HydrophobicContact CB-CG2 4.28Å
592	D	98.3	Very high	98.6	Very high	28 Å²	28	18.2 Å²	18.2	15%	0.15	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.5	-177	61.5	-55.1	0	0	0	114.2	N596 F615 L645 G646	D592-N596 PolarHBondContact O-ND2 3.16Å; D592-F615 HydrophobicContact CB-CE1 4.06Å; D592-F615 HydrophobicContact CB-CZ 4.42Å; D592-L645 HydrophobicContact CB-CD2 4.2Å; D592-G646 WeakPolarHBondContact OD1-CA 3.24Å; D592-G646 PolarHBondContact OD1-N 3.47Å
593	N	98.5	Very high	98.6	Very high	60 Å²	60	18.5 Å²	18.5	32%	0.321	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-59.5	172	-176.9	-86.4	0	0	0	112	S548 D591 R595 N596	S548-N593 PolarHBondContact OG-OD1 3.48Å; D591-N593 PolarHBondContact O-N 2.93Å; D591-N593 WeakPolarHBondContact OD1-CA 3.41Å; D591-N593 WeakPolarHBondContact OD1-CB 3.27Å; D591-N593 PolarHBondContact OD1-N 2.89Å; N593-R595 VanDerWaalsContact C-N 3.28Å; N593-R595 PolarHBondContact O-N 3.43Å; N593-N596 WeakPolarHBondContact O-CB 3.33Å; N593-N596 PolarHBondContact O-N 3.37Å; N593-N596 VanDerWaalsContact O-N 3.11Å; N593-N596 PolarHBondContact O-ND2 3.49Å
594	G	98.5	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-63.2	-30.4	-171.3	0	0	0	0	0	113.2	K472 H588 G589 D591 N596 F597	K472-G594 PolarHBondContact NZ-O 3.34Å; H588-G594 WeakPolarHBondContact O-CA 3.25Å; G589-G594 CarbonylContact O-C 3.47Å; G589-G594 VanDerWaalsContact O-C 3.23Å; D591-G594 PolarHBondContact OD1-N 3.05Å; G594-N596 PolarHBondContact O-N 3.11Å; G594-F597 PolarHBondContact O-N 3.41Å
595	R	98.7	Very high	98.5	Very high	15 Å²	15	26 Å²	26	6%	0.057	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-58.3	-21	176.2	77.2	171.3	-176.6	66.8	20.4	113.9	G589 D591 N593 F597 W606 W607	G589-R595 PolarHBondContact O-N 3.31Å; D591-R595 WeakPolarHBondContact O-CB 3.18Å; D591-R595 WeakPolarHBondContact O-CG 3.39Å; D591-R595 PolarHBondContact O-N 3.18Å; D591-R595 VanDerWaalsContact O-N 3.07Å; N593-R595 VanDerWaalsContact C-N 3.28Å; N593-R595 PolarHBondContact O-N 3.43Å; R595-F597 VanDerWaalsContact C-N 3.27Å; R595-W606 WeakPolarHBondContact O-CZ2 3.39Å; R595-W606 PolarHBondContact O-NE1 2.91Å; R595-W607 HydrophobicContact CB-CZ2 3.69Å; R595-W607 HydrophobicContact CG-CZ2 4.37Å; R595-W607 PolarHBondContact O-NE1 2.92Å
596	N	98.8	Very high	98.5	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-82.7	-7.5	-178.1	-54.2	-75.8	0	0	0	112.5	P296 M297 D592 N593 G594 L603 V604	P296-N596 HydrophobicContact CG-CB 3.8Å; P296-N596 WeakPolarHBondContact CG-ND2 3.39Å; M297-N596 HydrophobicContact CE-CB 4.37Å; D592-N596 PolarHBondContact O-ND2 3.16Å; N593-N596 WeakPolarHBondContact O-CB 3.33Å; N593-N596 PolarHBondContact O-N 3.37Å; N593-N596 VanDerWaalsContact O-N 3.11Å; N593-N596 PolarHBondContact O-ND2 3.49Å; G594-N596 PolarHBondContact O-N 3.11Å; N596-L603 HydrophobicContact CB-CD1 3.65Å; N596-L603 WeakPolarHBondContact O-CA 3.29Å; N596-V604 PolarHBondContact O-N 3.07Å; N596-V604 VanDerWaalsContact O-N 3.13Å; N596-V604 VanDerWaalsContact O-O 3.12Å
597	F	98.8	Very high	98.5	Very high	8 Å²	8	27.1 Å²	27.1	4%	0.035	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-102.2	138.5	177.5	-63.4	-97.8	0	0	0	110	D209 P296 K472 G594 R595 G601 D602 L603 W606	D209-F597 HydrophobicContact CB-CE1 4.12Å; P296-F597 HydrophobicContact CB-CE2 4.25Å; P296-F597 HydrophobicContact CB-CZ 4.36Å; P296-F597 HydrophobicContact CG-CE2 4.15Å; K472-F597 WeakPolarHBondContact CD-O 3.48Å; K472-F597 WeakPolarHBondContact CE-O 3.44Å; K472-F597 PolarHBondContact NZ-O 3.07Å; G594-F597 PolarHBondContact O-N 3.41Å; R595-F597 VanDerWaalsContact C-N 3.27Å; F597-G601 WeakPolarHBondContact CD1-O 3.01Å; F597-D602 CarbonylContact C-O 3.33Å; F597-D602 VanDerWaalsContact CA-O 3.27Å; F597-D602 WeakPolarHBondContact CA-O 3.33Å; F597-L603 HydrophobicContact CD1-CB 4.09Å; F597-L603 HydrophobicContact CD2-CD1 4.46Å; F597-L603 HydrophobicContact CE1-CB 3.87Å; F597-L603 HydrophobicContact CE1-CD1 4.34Å; F597-L603 HydrophobicContact CE2-CD1 4.15Å; F597-L603 HydrophobicContact CZ-CB 4.4Å; F597-L603 HydrophobicContact CZ-CD1 4.09Å; F597-W606 PolarHBondContact O-NE1 3.31Å
598	N	98.5	Very high	98.4	Very high	30 Å²	30	28.6 Å²	28.6	16%	0.16	15%	0.148	C	C	.	.			trans	-79.1	-172.7	177.4	71.1	12.9	0	0	0	112.1	D600 G601 D602 V604	N598-D600 PolarHBondContact O-N 3.39Å; N598-D600 WeakPolarHBondContact OD1-CA 3.24Å; N598-D600 PolarHBondContact OD1-N 2.99Å; N598-G601 PolarHBondContact O-N 2.83Å; N598-G601 PolarHBondContact OD1-N 2.94Å; N598-D602 PolarHBondContact N-O 3.39Å; N598-D602 PolarHBondContact OD1-N 3.1Å; N598-V604 HydrophobicContact CB-CG1 3.62Å; N598-V604 WeakPolarHBondContact ND2-CG1 3.5Å
599	K	98.4	Very high	98.4	Very high	86 Å²	86	36.3 Å²	36.3	37%	0.374	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.9	178.5	70.4	174.4	-177.3	57.8	0	115.1	K472 A475 N551	K472-K599 HydrophobicContact CB-CB 4.34Å; A475-K599 HydrophobicContact CB-CB 3.68Å; N551-K599 PolarHBondContact ND2-O 3.3Å
600	D	97.9	Very high	98.4	Very high	68 Å²	68	42 Å²	42	36%	0.364	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-10.1	-177.6	-60.4	-52.3	0	0	0	111.9	S212 K532 N598	S212-D600 PolarHBondContact OG-O 3.43Å; S212-D600 VanDerWaalsContact OG-O 3.06Å; K532-D600 PolarHBondContact NZ-O 3.11Å; N598-D600 PolarHBondContact O-N 3.39Å; N598-D600 WeakPolarHBondContact OD1-CA 3.24Å; N598-D600 PolarHBondContact OD1-N 2.99Å
601	G	97.9	Very high	98.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	93.6	16.2	-177.8	0	0	0	0	0	114.1	S548 G549 F597 N598	S548-G601 VanDerWaalsContact O-CA 3.24Å; S548-G601 WeakPolarHBondContact O-CA 3.43Å; G549-G601 WeakPolarHBondContact CA-O 3.36Å; F597-G601 WeakPolarHBondContact CD1-O 3.01Å; N598-G601 PolarHBondContact O-N 2.83Å; N598-G601 PolarHBondContact OD1-N 2.94Å
602	D	98.6	Very high	98.4	Very high	36 Å²	36	42.2 Å²	42.2	19%	0.193	21%	0.214	C	C	.	.			trans	-93.1	137.7	176.4	-51.6	-41.6	0	0	0	111	D209 S212 F597 N598 V604	D209-D602 CarbonylContact O-C 3.59Å; D209-D602 WeakPolarHBondContact O-CA 3.48Å; S212-D602 WeakPolarHBondContact CB-OD1 3.09Å; S212-D602 PolarHBondContact N-OD1 3.07Å; S212-D602 PolarHBondContact OG-OD1 2.95Å; F597-D602 CarbonylContact C-O 3.33Å; F597-D602 VanDerWaalsContact CA-O 3.27Å; F597-D602 WeakPolarHBondContact CA-O 3.33Å; N598-D602 PolarHBondContact N-O 3.39Å; N598-D602 PolarHBondContact OD1-N 3.1Å; D602-V604 PolarHBondContact O-N 3.28Å
603	L	98.6	Very high	98.4	Very high	6 Å²	6	44 Å²	44	3%	0.031	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-72.5	91.4	175.2	-179.8	69.1	0	0	0	109.8	D209 K210 P296 M297 Y300 N596 F597	D209-L603 HydrophobicContact CB-CB 3.97Å; D209-L603 HydrophobicContact CB-CD2 4.01Å; D209-L603 VanDerWaalsContact O-CB 3.29Å; D209-L603 WeakPolarHBondContact O-CB 3.5Å; D209-L603 PolarHBondContact O-N 3.28Å; K210-L603 HydrophobicContact CG-CB 4.06Å; K210-L603 HydrophobicContact CG-CD2 4.31Å; K210-L603 HydrophobicContact CG-CG 4.48Å; P296-L603 HydrophobicContact CB-CD1 3.89Å; P296-L603 HydrophobicContact CB-CD2 4.42Å; P296-L603 HydrophobicContact CG-CD1 3.87Å; P296-L603 WeakPolarHBondContact O-CD2 3.36Å; M297-L603 HydrophobicContact CE-CD1 3.68Å; M297-L603 HydrophobicContact CE-CG 3.79Å; M297-L603 HydrophobicContact CG-CD1 4.07Å; M297-L603 HydrophobicContact CG-CG 4.49Å; M297-L603 HydrophobicContact SD-CD1 3.81Å; M297-L603 HydrophobicContact SD-CD2 4.15Å; M297-L603 HydrophobicContact SD-CG 3.65Å; Y300-L603 HydrophobicContact CD2-CD2 4.26Å; Y300-L603 HydrophobicContact CG-CD2 4.11Å; N596-L603 HydrophobicContact CB-CD1 3.65Å; N596-L603 WeakPolarHBondContact O-CA 3.29Å; F597-L603 HydrophobicContact CD1-CB 4.09Å; F597-L603 HydrophobicContact CD2-CD1 4.46Å; F597-L603 HydrophobicContact CE1-CB 3.87Å; F597-L603 HydrophobicContact CE1-CD1 4.34Å; F597-L603 HydrophobicContact CE2-CD1 4.15Å; F597-L603 HydrophobicContact CZ-CB 4.4Å; F597-L603 HydrophobicContact CZ-CD1 4.09Å
604	V	97.9	Very high	98.4	Very high	67 Å²	67	42.6 Å²	42.6	41%	0.406	22%	0.221	S	C	.	.			trans	-141.9	138.7	179.7	61.6	0	0	0	0	109.5	M297 N596 N598 D602 W606	M297-V604 VanDerWaalsContact CE-C 3.44Å; N596-V604 PolarHBondContact O-N 3.07Å; N596-V604 VanDerWaalsContact O-N 3.13Å; N596-V604 VanDerWaalsContact O-O 3.12Å; N598-V604 HydrophobicContact CB-CG1 3.62Å; N598-V604 WeakPolarHBondContact ND2-CG1 3.5Å; D602-V604 PolarHBondContact O-N 3.28Å; V604-W606 VanDerWaalsContact O-CD1 3.23Å; V604-W606 PolarHBondContact O-N 2.96Å
605	D	97.1	Very high	98.4	Very high	100 Å²	100	42.7 Å²	42.7	54%	0.535	22%	0.221	S	C	.	.			trans	-73.7	113.3	176.8	-166.6	3	0	0	0	110	M297 W607	M297-D605 HydrophobicContact CE-CB 4.36Å; D605-W607 WeakPolarHBondContact OD1-CB 3.37Å; D605-W607 PolarHBondContact OD1-N 2.91Å
606	W	98.4	Very high	98.4	Very high	22 Å²	22	47.5 Å²	47.5	8%	0.083	24%	0.243	C	C	.	.			trans	-112	6.1	176.9	57.7	-98.7	0	0	0	111.9	T465 R468 A469 K472 F590 R595 F597 V604	T465-W606 HydrophobicContact CG2-CE3 4.47Å; T465-W606 HydrophobicContact CG2-CZ3 4.13Å; R468-W606 HydrophobicContact CB-CD2 4.44Å; R468-W606 HydrophobicContact CB-CE3 3.6Å; R468-W606 HydrophobicContact CB-CZ3 4.09Å; R468-W606 WeakPolarHBondContact CD-O 3.33Å; R468-W606 PolarHBondContact NH1-O 3.16Å; R468-W606 VanDerWaalsContact NH1-O 3.1Å; A469-W606 HydrophobicContact CB-CH2 4.22Å; A469-W606 HydrophobicContact CB-CZ3 4.13Å; K472-W606 HydrophobicContact CD-CZ2 4.08Å; F590-W606 HydrophobicContact CD1-CH2 4.05Å; F590-W606 HydrophobicContact CD1-CZ2 4.4Å; F590-W606 HydrophobicContact CE1-CH2 4.15Å; R595-W606 WeakPolarHBondContact O-CZ2 3.39Å; R595-W606 PolarHBondContact O-NE1 2.91Å; F597-W606 PolarHBondContact O-NE1 3.31Å; V604-W606 VanDerWaalsContact O-CD1 3.23Å; V604-W606 PolarHBondContact O-N 2.96Å
607	W	98.6	Very high	98.4	Very high	12 Å²	12	53.7 Å²	53.7	5%	0.045	27%	0.272	C	S	.	.	S	Bend	trans	-94.5	147.4	178.5	-67.1	69.2	0	0	0	110.9	W460 M461 T465 R595 D605 A612 F615 W750	W460-W607 HydrophobicContact CH2-CH2 4.01Å; W460-W607 HydrophobicContact CH2-CZ3 4.05Å; W460-W607 HydrophobicContact CZ3-CH2 4.21Å; W460-W607 AromaticContact CZ3-CZ3 3.78Å; W460-W607 HydrophobicContact CZ3-CZ3 3.78Å; M461-W607 HydrophobicContact CE-CH2 4Å; M461-W607 HydrophobicContact CE-CZ3 4Å; T465-W607 HydrophobicContact CG2-CB 4.44Å; T465-W607 HydrophobicContact CG2-CD2 3.73Å; T465-W607 HydrophobicContact CG2-CE3 3.47Å; T465-W607 VanDerWaalsContact CG2-CE3 3.47Å; T465-W607 HydrophobicContact CG2-CG 4.19Å; T465-W607 HydrophobicContact CG2-CZ3 3.89Å; R595-W607 HydrophobicContact CB-CZ2 3.69Å; R595-W607 HydrophobicContact CG-CZ2 4.37Å; R595-W607 PolarHBondContact O-NE1 2.92Å; D605-W607 WeakPolarHBondContact OD1-CB 3.37Å; D605-W607 PolarHBondContact OD1-N 2.91Å; W607-A612 HydrophobicContact CB-CB 4.01Å; W607-F615 AromaticContact CH2-CD2 3.96Å; W607-F615 HydrophobicContact CH2-CD2 3.96Å; W607-F615 HydrophobicContact CZ3-CB 4.15Å; W607-F615 HydrophobicContact CZ3-CD2 4.41Å; W607-W750 AromaticContact CH2-CH2 3.63Å; W607-W750 HydrophobicContact CH2-CH2 3.63Å; W607-W750 AromaticContact CH2-CZ2 3.94Å; W607-W750 HydrophobicContact CH2-CZ2 3.94Å; W607-W750 HydrophobicContact CZ2-CH2 4.08Å; W607-W750 HydrophobicContact CZ2-CZ2 4.3Å
608	T	98.6	Very high	98.4	Very high	31 Å²	31	56.1 Å²	56.1	19%	0.19	28%	0.283	C	S	.	.			trans	-71.9	156.6	161.3	75.2	0	0	0	0	109.5	D462 E464 T465 Q610 S611 A612	D462-T608 WeakPolarHBondContact OD2-CB 3.38Å; D462-T608 WeakPolarHBondContact OD2-CG2 3.49Å; D462-T608 PolarHBondContact OD2-OG1 2.87Å; E464-T608 HydrophobicContact CB-CG2 4.5Å; T465-T608 PolarHBondContact OG1-N 2.91Å; T608-Q610 PolarHBondContact O-N 3.34Å; T608-S611 PolarHBondContact O-N 2.88Å; T608-S611 PolarHBondContact OG1-N 2.71Å; T608-S611 VanDerWaalsContact OG1-N 3.17Å; T608-A612 WeakPolarHBondContact O-CB 3.27Å; T608-A612 PolarHBondContact O-N 3.43Å
609	Q	98.3	Very high	98.4	Very high	177 Å²	177	55.1 Å²	55.1	83%	0.827	28%	0.278	S	S	*	.	H	α-helix	trans	-56.3	-39.4	177	-173	-180	12.2	0	0	112.5	S613	Q609-S613 WeakPolarHBondContact O-CB 3.4Å; Q609-S613 PolarHBondContact O-N 2.95Å
610	Q	98.4	Very high	98.4	Very high	119 Å²	119	54.4 Å²	54.4	56%	0.556	28%	0.276	S	S	*	.	H	α-helix	trans	-67.5	-48.6	-179.7	-173.1	64.5	56.9	0	0	111.2	T608 A612 S613 N614	T608-Q610 PolarHBondContact O-N 3.34Å; Q610-A612 VanDerWaalsContact C-N 3.33Å; Q610-A612 PolarHBondContact O-N 3.34Å; Q610-S613 PolarHBondContact O-N 2.92Å; Q610-N614 PolarHBondContact NE2-OD1 3.14Å; Q610-N614 WeakPolarHBondContact O-CB 3.4Å; Q610-N614 PolarHBondContact O-N 3.38Å; Q610-N614 PolarHBondContact O-OD1 3.03Å
611	S	98.7	Very high	98.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-36.9	179.3	-71	0	0	0	0	111.9	D462 T465 T608 N614 F615	D462-S611 VanDerWaalsContact CG-OG 3.25Å; D462-S611 PolarHBondContact N-OG 3.28Å; D462-S611 PolarHBondContact OD2-OG 3.35Å; T465-S611 WeakPolarHBondContact OG1-CB 3.25Å; T465-S611 PolarHBondContact OG1-OG 3.48Å; T608-S611 PolarHBondContact O-N 2.88Å; T608-S611 PolarHBondContact OG1-N 2.71Å; T608-S611 VanDerWaalsContact OG1-N 3.17Å; S611-N614 PolarHBondContact O-N 3.47Å; S611-F615 WeakPolarHBondContact O-CB 3.42Å; S611-F615 PolarHBondContact O-N 3.14Å
612	A	98.6	Very high	98.5	Very high	17 Å²	17	52.1 Å²	52.1	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-39.2	174.3	0	0	0	0	0	112.6	W607 T608 Q610 K616	W607-A612 HydrophobicContact CB-CB 4.01Å; T608-A612 WeakPolarHBondContact O-CB 3.27Å; T608-A612 PolarHBondContact O-N 3.43Å; Q610-A612 VanDerWaalsContact C-N 3.33Å; Q610-A612 PolarHBondContact O-N 3.34Å; A612-K616 PolarHBondContact O-N 3.47Å
613	S	98.6	Very high	98.5	Very high	67 Å²	67	51.1 Å²	51.1	47%	0.469	26%	0.261	S	S	.	.	H	α-helix	trans	-64.8	-45.3	173.5	-172.9	0	0	0	0	111.3	Q609 Q610 F615 K616 E617	Q609-S613 WeakPolarHBondContact O-CB 3.4Å; Q609-S613 PolarHBondContact O-N 2.95Å; Q610-S613 PolarHBondContact O-N 2.92Å; S613-F615 VanDerWaalsContact C-N 3.33Å; S613-F615 PolarHBondContact O-N 2.97Å; S613-K616 PolarHBondContact O-N 2.98Å; S613-E617 PolarHBondContact O-N 3.23Å
614	N	98.8	Very high	98.5	Very high	29 Å²	29	57.7 Å²	57.7	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-39.1	178.9	-68	-2.5	0	0	0	111.5	W460 Q610 S611 K616 E617 Q618	W460-N614 HydrophobicContact CB-CB 4.28Å; W460-N614 HydrophobicContact CE3-CB 3.95Å; W460-N614 VanDerWaalsContact O-CB 3.28Å; W460-N614 WeakPolarHBondContact O-CB 3.36Å; W460-N614 PolarHBondContact O-ND2 3.08Å; Q610-N614 PolarHBondContact NE2-OD1 3.14Å; Q610-N614 WeakPolarHBondContact O-CB 3.4Å; Q610-N614 PolarHBondContact O-N 3.38Å; Q610-N614 PolarHBondContact O-OD1 3.03Å; S611-N614 PolarHBondContact O-N 3.47Å; N614-K616 VanDerWaalsContact C-N 3.32Å; N614-K616 PolarHBondContact O-N 3.49Å; N614-E617 WeakPolarHBondContact O-CB 3.32Å; N614-E617 PolarHBondContact O-N 3.4Å; N614-E617 VanDerWaalsContact O-N 3.15Å; N614-Q618 WeakPolarHBondContact O-CG 3.46Å; N614-Q618 PolarHBondContact O-N 2.04Å
615	F	98.8	Very high	98.6	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-54.1	-50	173.2	178.6	-87.8	0	0	0	111	W460 F590 D592 W607 S611 S613 E617 Q618 S619 I649 V749 W750	W460-F615 HydrophobicContact CH2-CB 4.35Å; W460-F615 AromaticContact CH2-CD2 3.84Å; W460-F615 HydrophobicContact CH2-CD2 3.84Å; W460-F615 HydrophobicContact CZ3-CB 3.8Å; W460-F615 HydrophobicContact CZ3-CD2 4.16Å; F590-F615 WeakPolarHBondContact O-CE2 3.48Å; D592-F615 HydrophobicContact CB-CE1 4.06Å; D592-F615 HydrophobicContact CB-CZ 4.42Å; W607-F615 AromaticContact CH2-CD2 3.96Å; W607-F615 HydrophobicContact CH2-CD2 3.96Å; W607-F615 HydrophobicContact CZ3-CB 4.15Å; W607-F615 HydrophobicContact CZ3-CD2 4.41Å; S611-F615 WeakPolarHBondContact O-CB 3.42Å; S611-F615 PolarHBondContact O-N 3.14Å; S613-F615 VanDerWaalsContact C-N 3.33Å; S613-F615 PolarHBondContact O-N 2.97Å; F615-E617 VanDerWaalsContact C-N 3.31Å; F615-E617 PolarHBondContact O-N 2.86Å; F615-Q618 PolarHBondContact O-N 3.32Å; F615-S619 WeakPolarHBondContact O-CB 3.34Å; F615-S619 PolarHBondContact O-N 2.7Å; F615-S619 PolarHBondContact O-OG 2.9Å; F615-I649 HydrophobicContact CZ-CD1 4.04Å; F615-V749 HydrophobicContact CD2-CG1 3.89Å; F615-V749 HydrophobicContact CE2-CG1 3.67Å; F615-W750 HydrophobicContact CD2-CZ2 4.07Å; F615-W750 AromaticContact CE2-CZ2 3.8Å; F615-W750 HydrophobicContact CE2-CZ2 3.8Å; F615-W750 AromaticContact CE2-NE1 4Å
616	K	98.5	Very high	98.7	Very high	116 Å²	116	51 Å²	51	50%	0.504	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-39.1	178.2	-68	-179.6	179	-173.5	0	111.6	A612 S613 N614 S619 Q620	A612-K616 PolarHBondContact O-N 3.47Å; S613-K616 PolarHBondContact O-N 2.98Å; N614-K616 VanDerWaalsContact C-N 3.32Å; N614-K616 PolarHBondContact O-N 3.49Å; K616-S619 WeakPolarHBondContact CA-OG 3.43Å; K616-S619 PolarHBondContact O-OG 3.28Å; K616-Q620 VanDerWaalsContact O-CB 3.22Å; K616-Q620 WeakPolarHBondContact O-CB 3.41Å; K616-Q620 PolarHBondContact O-N 3.29Å
617	E	98.6	Very high	98.7	Very high	134 Å²	134	51 Å²	51	63%	0.626	25%	0.254	S	S	*	.	H	α-helix	trans	-63	-45.2	176.5	-172.2	177.5	-175.3	0	0	112.1	S613 N614 F615	S613-E617 PolarHBondContact O-N 3.23Å; N614-E617 WeakPolarHBondContact O-CB 3.32Å; N614-E617 PolarHBondContact O-N 3.4Å; N614-E617 VanDerWaalsContact O-N 3.15Å; F615-E617 VanDerWaalsContact C-N 3.31Å; F615-E617 PolarHBondContact O-N 2.86Å
618	Q	98.8	Very high	98.7	Very high	60 Å²	60	56 Å²	56	28%	0.28	28%	0.281	S	S	.	.	H	α-helix	trans	-66.4	-46.3	177.2	-61.9	-50.4	-32.4	0	0	111.7	W460 N614 F615 Q620 C621 R748 V749	W460-Q618 HydrophobicContact CB-CG 4.32Å; W460-Q618 HydrophobicContact CD2-CG 4.07Å; W460-Q618 HydrophobicContact CG-CG 3.92Å; N614-Q618 WeakPolarHBondContact O-CG 3.46Å; N614-Q618 PolarHBondContact O-N 2.04Å; F615-Q618 PolarHBondContact O-N 3.32Å; Q618-Q620 VanDerWaalsContact C-N 3.29Å; Q618-Q620 PolarHBondContact O-N 3.1Å; Q618-C621 VanDerWaalsContact O-CB 3.24Å; Q618-C621 WeakPolarHBondContact O-CB 3.47Å; Q618-C621 PolarHBondContact O-N 3Å; Q618-R748 PolarHBondContact OE1-O 3.09Å; Q618-V749 HydrophobicContact CB-CG2 4.01Å
619	S	98.6	Very high	98.7	Very high	8 Å²	8	55.3 Å²	55.3	6%	0.056	28%	0.276	C	S	.	.	H	α-helix	trans	-66.6	-31.2	-178.2	71.7	0	0	0	0	112.3	F615 K616 C621 M622 V623	F615-S619 WeakPolarHBondContact O-CB 3.34Å; F615-S619 PolarHBondContact O-N 2.7Å; F615-S619 PolarHBondContact O-OG 2.9Å; K616-S619 WeakPolarHBondContact CA-OG 3.43Å; K616-S619 PolarHBondContact O-OG 3.28Å; S619-C621 PolarHBondContact O-N 3.03Å; S619-C621 VanDerWaalsContact O-N 3.16Å; S619-M622 PolarHBondContact O-N 3.26Å; S619-V623 PolarHBondContact O-N 3.08Å; S619-V623 VanDerWaalsContact O-N 3.14Å
620	Q	98.8	Very high	98.7	Very high	71 Å²	71	49.7 Å²	49.7	33%	0.332	26%	0.256	S	S	.	.	H	α-helix	trans	-59	-28.4	176.2	-170.3	61.6	53.7	0	0	112.5	K616 Q618 M622 V623 Y624	K616-Q620 VanDerWaalsContact O-CB 3.22Å; K616-Q620 WeakPolarHBondContact O-CB 3.41Å; K616-Q620 PolarHBondContact O-N 3.29Å; Q618-Q620 VanDerWaalsContact C-N 3.29Å; Q618-Q620 PolarHBondContact O-N 3.1Å; Q620-M622 VanDerWaalsContact C-N 3.34Å; Q620-M622 PolarHBondContact O-N 3.17Å; Q620-V623 PolarHBondContact O-N 3.27Å; Q620-Y624 HydrophobicContact CG-CD2 4.03Å; Q620-Y624 HydrophobicContact CG-CE2 3.46Å; Q620-Y624 VanDerWaalsContact CG-CE2 3.46Å; Q620-Y624 VanDerWaalsContact NE2-CE1 3.35Å; Q620-Y624 PolarHBondContact NE2-OH 2.8Å; Q620-Y624 WeakPolarHBondContact O-CD2 3.17Å; Q620-Y624 PolarHBondContact O-N 3.49Å; Q620-Y624 VanDerWaalsContact O-N 3.16Å
621	C	98.8	Very high	98.7	Very high	19 Å²	19	44 Å²	44	13%	0.128	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-46.9	172.1	-172.3	0	0	0	0	111.5	Q618 S619 Y624 Q625 C747	Q618-C621 VanDerWaalsContact O-CB 3.24Å; Q618-C621 WeakPolarHBondContact O-CB 3.47Å; Q618-C621 PolarHBondContact O-N 3Å; S619-C621 PolarHBondContact O-N 3.03Å; S619-C621 VanDerWaalsContact O-N 3.16Å; C621-Y624 PolarHBondContact O-N 2.95Å; C621-Q625 WeakPolarHBondContact O-CB 3.33Å; C621-Q625 PolarHBondContact O-N 2.97Å; C621-C747 HydrophobicContact CB-CB 3.67Å; C621-C747 WeakPolarHBondContact CB-SG 3.42Å; C621-C747 PolarHBondContact O-SG 3.3Å; C621-C747 VanDerWaalsContact O-SG 3.35Å; C621-C747 WeakPolarHBondContact SG-CA 3.45Å; C621-C747 WeakPolarHBondContact SG-CB 3.48Å; C621-C747 CovalentContact SG-SG 2.04Å; C621-C747 PolarHBondContact SG-SG 3.1Å
622	M	98.9	Very high	98.7	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-70.8	-36.5	-179.6	-65.9	-178	-179.2	0	0	111.8	S619 Q620 Y624 Q625 Y626 L645 I649 N652 C747 V749	S619-M622 PolarHBondContact O-N 3.26Å; Q620-M622 VanDerWaalsContact C-N 3.34Å; Q620-M622 PolarHBondContact O-N 3.17Å; M622-Y624 VanDerWaalsContact C-N 3.28Å; M622-Y624 PolarHBondContact O-N 3.07Å; M622-Q625 PolarHBondContact O-N 3.49Å; M622-Y626 HydrophobicContact CB-CD2 4.38Å; M622-Y626 WeakPolarHBondContact O-CD2 3.45Å; M622-Y626 PolarHBondContact O-N 3.45Å; M622-L645 HydrophobicContact CB-CD1 4.02Å; M622-I649 HydrophobicContact SD-CG1 3.93Å; M622-N652 HydrophobicContact CE-CB 3.54Å; M622-N652 HydrophobicContact SD-CB 4.39Å; M622-C747 HydrophobicContact CE-CB 4.08Å; M622-C747 HydrophobicContact CG-CB 3.59Å; M622-V749 HydrophobicContact CE-CG2 4.29Å; M622-V749 HydrophobicContact SD-CG2 4.41Å
623	V	98.8	Very high	98.7	Very high	16 Å²	16	51.1 Å²	51.1	10%	0.097	27%	0.265	C	S	.	.	H	α-helix	trans	-53.5	-48.4	172.1	175.5	0	0	0	0	110.6	S619 Q620 G627 I642 L645	S619-V623 PolarHBondContact O-N 3.08Å; S619-V623 VanDerWaalsContact O-N 3.14Å; Q620-V623 PolarHBondContact O-N 3.27Å; V623-G627 WeakPolarHBondContact O-CA 3.3Å; V623-G627 PolarHBondContact O-N 3.45Å; V623-I642 HydrophobicContact CG1-CG1 3.78Å; V623-L645 HydrophobicContact CG2-CD1 3.74Å; V623-L645 HydrophobicContact CG2-CD2 3.74Å; V623-L645 HydrophobicContact CG2-CG 4.21Å
624	Y	98.9	Very high	98.7	Very high	143 Å²	143	48 Å²	48	56%	0.561	24%	0.243	S	C	*	.	H	α-helix	trans	-71.5	-38.2	178.5	-65.4	-44.8	0	0	0	113.2	Q620 C621 M622 N628	Q620-Y624 HydrophobicContact CG-CD2 4.03Å; Q620-Y624 HydrophobicContact CG-CE2 3.46Å; Q620-Y624 VanDerWaalsContact CG-CE2 3.46Å; Q620-Y624 VanDerWaalsContact NE2-CE1 3.35Å; Q620-Y624 PolarHBondContact NE2-OH 2.8Å; Q620-Y624 WeakPolarHBondContact O-CD2 3.17Å; Q620-Y624 PolarHBondContact O-N 3.49Å; Q620-Y624 VanDerWaalsContact O-N 3.16Å; C621-Y624 PolarHBondContact O-N 2.95Å; M622-Y624 VanDerWaalsContact C-N 3.28Å; M622-Y624 PolarHBondContact O-N 3.07Å; Y624-N628 WeakPolarHBondContact O-CB 3.5Å; Y624-N628 PolarHBondContact O-N 3.47Å; Y624-N628 PolarHBondContact O-ND2 2.63Å
625	Q	98.9	Very high	98.6	Very high	27 Å²	27	50 Å²	50	13%	0.126	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-55.9	178.7	-176.7	-173.6	13	0	0	110.5	C621 M622 N628 F629 G721 N725	C621-Q625 WeakPolarHBondContact O-CB 3.33Å; C621-Q625 PolarHBondContact O-N 2.97Å; M622-Q625 PolarHBondContact O-N 3.49Å; Q625-N628 PolarHBondContact O-N 2.93Å; Q625-N628 VanDerWaalsContact O-N 3.17Å; Q625-F629 HydrophobicContact CG-CE2 4.36Å; Q625-F629 HydrophobicContact CG-CZ 4.22Å; Q625-G721 PolarHBondContact NE2-O 3.37Å; Q625-G721 VanDerWaalsContact NE2-O 3.13Å; Q625-N725 PolarHBondContact NE2-ND2 3.24Å; Q625-N725 PolarHBondContact NE2-OD1 3.1Å; Q625-N725 PolarHBondContact OE1-ND2 2.88Å; Q625-N725 PolarHBondContact OE1-OD1 3.07Å
626	Y	98.8	Very high	98.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-72.4	-34.6	-176.1	-75.2	-100.1	0	0	0	112	M622 N628 F629 L639 N648 N652 S713 T722	M622-Y626 HydrophobicContact CB-CD2 4.38Å; M622-Y626 WeakPolarHBondContact O-CD2 3.45Å; M622-Y626 PolarHBondContact O-N 3.45Å; Y626-N628 PolarHBondContact O-N 3.23Å; Y626-N628 VanDerWaalsContact O-N 3.16Å; Y626-F629 AromaticContact CD1-CD2 3.86Å; Y626-F629 HydrophobicContact CD1-CD2 3.86Å; Y626-F629 AromaticContact CD1-CE2 3.79Å; Y626-F629 HydrophobicContact CD1-CE2 3.79Å; Y626-F629 HydrophobicContact CD2-CE2 4.49Å; Y626-F629 HydrophobicContact CE1-CE2 4.1Å; Y626-F629 HydrophobicContact CG-CD2 4.15Å; Y626-F629 HydrophobicContact CG-CE2 4.03Å; Y626-F629 WeakPolarHBondContact O-CB 2.91Å; Y626-F629 PolarHBondContact O-N 2.99Å; Y626-L639 HydrophobicContact CD1-CD1 4.5Å; Y626-L639 WeakPolarHBondContact O-CB 3.47Å; Y626-N648 WeakPolarHBondContact CD1-ND2 3.37Å; Y626-N648 WeakPolarHBondContact CD1-OD1 3.45Å; Y626-N648 HydrophobicContact CD2-CB 4.11Å; Y626-N648 HydrophobicContact CE1-CB 4.27Å; Y626-N648 WeakPolarHBondContact CE1-OD1 3.19Å; Y626-N648 HydrophobicContact CE2-CB 3.84Å; Y626-N648 HydrophobicContact CG-CB 4.44Å; Y626-N652 PolarHBondContact OH-ND2 3.27Å; Y626-N652 VanDerWaalsContact OH-ND2 3.15Å; Y626-S713 VanDerWaalsContact CD1-OG 3.24Å; Y626-S713 WeakPolarHBondContact CD1-OG 3.34Å; Y626-T722 PolarHBondContact OH-N 3.15Å; Y626-T722 PolarHBondContact OH-OG1 3.29Å
627	G	98.7	Very high	98.5	Very high	21 Å²	21	47.9 Å²	47.9	22%	0.216	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-18.8	171.7	0	0	0	0	0	114.3	V623 H638	V623-G627 WeakPolarHBondContact O-CA 3.3Å; V623-G627 PolarHBondContact O-N 3.45Å; G627-H638 WeakPolarHBondContact O-CB 3.45Å; G627-H638 PolarHBondContact O-ND1 3.36Å
628	N	98.7	Very high	98.5	Very high	117 Å²	117	46.3 Å²	46.3	63%	0.626	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-10	174.6	-81.4	-47.2	0	0	0	113.9	Y624 Q625 Y626 S630 H638	Y624-N628 WeakPolarHBondContact O-CB 3.5Å; Y624-N628 PolarHBondContact O-N 3.47Å; Y624-N628 PolarHBondContact O-ND2 2.63Å; Q625-N628 PolarHBondContact O-N 2.93Å; Q625-N628 VanDerWaalsContact O-N 3.17Å; Y626-N628 PolarHBondContact O-N 3.23Å; Y626-N628 VanDerWaalsContact O-N 3.16Å; N628-S630 PolarHBondContact O-N 3.44Å; N628-H638 PolarHBondContact O-CE1 3.01Å; N628-H638 PolarHBondContact O-ND1 3.32Å
629	F	98.8	Very high	98.5	Very high	17 Å²	17	43.9 Å²	43.9	8%	0.075	25%	0.252	C	S	.	.			trans	-74	116.8	173.9	-66	-44.8	0	0	0	110.5	Q625 Y626 H638 L639 F717 I720	Q625-F629 HydrophobicContact CG-CE2 4.36Å; Q625-F629 HydrophobicContact CG-CZ 4.22Å; Y626-F629 AromaticContact CD1-CD2 3.86Å; Y626-F629 HydrophobicContact CD1-CD2 3.86Å; Y626-F629 AromaticContact CD1-CE2 3.79Å; Y626-F629 HydrophobicContact CD1-CE2 3.79Å; Y626-F629 HydrophobicContact CD2-CE2 4.49Å; Y626-F629 HydrophobicContact CE1-CE2 4.1Å; Y626-F629 HydrophobicContact CG-CD2 4.15Å; Y626-F629 HydrophobicContact CG-CE2 4.03Å; Y626-F629 WeakPolarHBondContact O-CB 2.91Å; Y626-F629 PolarHBondContact O-N 2.99Å; F629-H638 WeakPolarHBondContact O-CA 3.29Å; F629-L639 HydrophobicContact CB-CD1 4Å; F629-L639 HydrophobicContact CB-CG 4.12Å; F629-L639 HydrophobicContact CD2-CD1 4.27Å; F629-L639 PolarHBondContact O-N 2.69Å; F629-F717 HydrophobicContact CB-CD1 3.74Å; F629-F717 HydrophobicContact CB-CD2 4.43Å; F629-F717 HydrophobicContact CB-CE1 3.73Å; F629-F717 HydrophobicContact CB-CE2 4.4Å; F629-F717 HydrophobicContact CB-CG 4.12Å; F629-F717 HydrophobicContact CB-CZ 4.06Å; F629-F717 AromaticContact CD1-CD1 3.87Å; F629-F717 HydrophobicContact CD1-CD1 3.87Å; F629-F717 AromaticContact CD1-CE1 3.98Å; F629-F717 HydrophobicContact CD1-CE1 3.98Å; F629-F717 HydrophobicContact CD2-CB 4.08Å; F629-F717 AromaticContact CD2-CD1 3.82Å; F629-F717 HydrophobicContact CD2-CD1 3.82Å; F629-F717 HydrophobicContact CD2-CG 4.1Å; F629-F717 HydrophobicContact CE1-CD1 4.45Å; F629-F717 HydrophobicContact CE2-CD1 4.41Å; F629-F717 AromaticContact CG-CD1 3.54Å; F629-F717 HydrophobicContact CG-CD1 3.54Å; F629-F717 AromaticContact CG-CE1 3.87Å; F629-F717 HydrophobicContact CG-CE1 3.87Å; F629-F717 HydrophobicContact CG-CG 4.14Å; F629-I720 HydrophobicContact CE1-CG2 4.12Å; F629-I720 HydrophobicContact CZ-CG2 4.1Å
630	S	98.7	Very high	98.5	Very high	59 Å²	59	45.6 Å²	45.6	41%	0.413	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	129	170.6	177	0	0	0	0	109.5	N628 G636 F717	N628-S630 PolarHBondContact O-N 3.44Å; S630-G636 VanDerWaalsContact OG-C 3.25Å; S630-G636 WeakPolarHBondContact OG-CA 3.49Å; S630-G636 PolarHBondContact OG-O 2.87Å; S630-F717 WeakPolarHBondContact O-CZ 3.49Å
631	W	98.6	Very high	98.5	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	109.3	-178.4	-165.5	16.1	0	0	0	111.2	L633 A634 G635 G636 Q637 L639 Y698 A703 S706 I707 P714 F717	W631-L633 VanDerWaalsContact C-N 3.35Å; W631-L633 HydrophobicContact CZ2-CB 4.43Å; W631-L633 HydrophobicContact CZ2-CD1 4.37Å; W631-L633 PolarHBondContact O-N 3.47Å; W631-A634 HydrophobicContact CB-CB 4.15Å; W631-A634 HydrophobicContact CD2-CB 4.09Å; W631-A634 HydrophobicContact CE3-CB 3.74Å; W631-A634 HydrophobicContact CG-CB 4.29Å; W631-A634 CarbonylContact O-C 3.5Å; W631-A634 PolarHBondContact O-N 3.03Å; W631-A634 VanDerWaalsContact O-N 3.1Å; W631-G635 PolarHBondContact O-N 3.29Å; W631-G636 WeakPolarHBondContact O-CA 3.48Å; W631-G636 PolarHBondContact O-N 3.21Å; W631-Q637 PolarHBondContact N-O 3.22Å; W631-L639 HydrophobicContact CB-CD2 4.29Å; W631-L639 HydrophobicContact CE3-CD2 4.31Å; W631-Y698 AromaticContact CH2-CD1 3.94Å; W631-Y698 HydrophobicContact CH2-CD1 3.94Å; W631-Y698 HydrophobicContact CH2-CD2 4.3Å; W631-Y698 HydrophobicContact CH2-CE1 4.3Å; W631-Y698 AromaticContact CH2-CG 3.97Å; W631-Y698 HydrophobicContact CH2-CG 3.97Å; W631-Y698 HydrophobicContact CZ2-CD1 4.17Å; W631-Y698 AromaticContact CZ2-CD2 3.72Å; W631-Y698 HydrophobicContact CZ2-CD2 3.72Å; W631-Y698 HydrophobicContact CZ2-CE2 4.24Å; W631-Y698 AromaticContact CZ2-CG 3.72Å; W631-Y698 HydrophobicContact CZ2-CG 3.72Å; W631-A703 HydrophobicContact CD2-CB 4.38Å; W631-A703 HydrophobicContact CE3-CB 4.17Å; W631-A703 HydrophobicContact CH2-CB 3.58Å; W631-A703 HydrophobicContact CZ2-CB 3.81Å; W631-A703 HydrophobicContact CZ3-CB 3.77Å; W631-A703 WeakPolarHBondContact CZ3-O 3.28Å; W631-S706 WeakPolarHBondContact CH2-OG 3.39Å; W631-I707 HydrophobicContact CB-CD1 4.49Å; W631-I707 HydrophobicContact CE3-CB 4.05Å; W631-I707 HydrophobicContact CE3-CD1 4.12Å; W631-I707 HydrophobicContact CE3-CG1 4.21Å; W631-I707 HydrophobicContact CZ3-CB 4.08Å; W631-P714 HydrophobicContact CD2-CB 4.33Å; W631-P714 HydrophobicContact CD2-CG 3.71Å; W631-P714 HydrophobicContact CE3-CG 3.56Å; W631-P714 HydrophobicContact CH2-CB 3.94Å; W631-P714 HydrophobicContact CH2-CG 3.56Å; W631-P714 HydrophobicContact CZ2-CB 3.68Å; W631-P714 HydrophobicContact CZ2-CG 3.7Å; W631-P714 HydrophobicContact CZ3-CB 4.36Å; W631-P714 HydrophobicContact CZ3-CG 3.49Å; W631-P714 VanDerWaalsContact CZ3-CG 3.49Å; W631-F717 HydrophobicContact CB-CE2 3.88Å; W631-F717 AromaticContact CD1-CE2 3.77Å; W631-F717 AromaticContact CG-CE2 3.85Å; W631-F717 HydrophobicContact CG-CE2 3.85Å
632	D	98.3	Very high	98.5	Very high	121 Å²	121	44.7 Å²	44.7	65%	0.647	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-54.9	-44.5	179.4	61.6	-22.5	0	0	0	113.1	A634 G635	D632-A634 PolarHBondContact O-N 3.28Å; D632-G635 PolarHBondContact O-N 2.93Å
633	L	98.3	Very high	98.5	Very high	45 Å²	45	46.1 Å²	46.1	24%	0.236	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-64.6	-27.1	178.8	-61.3	177.4	0	0	0	112.9	W631 G635 P700 A703	W631-L633 VanDerWaalsContact C-N 3.35Å; W631-L633 HydrophobicContact CZ2-CB 4.43Å; W631-L633 HydrophobicContact CZ2-CD1 4.37Å; W631-L633 PolarHBondContact O-N 3.47Å; L633-G635 VanDerWaalsContact C-N 3.27Å; L633-G635 PolarHBondContact O-N 3.1Å; L633-P700 WeakPolarHBondContact O-CA 3.45Å; L633-A703 HydrophobicContact CB-CB 3.69Å
634	A	98.2	Very high	98.5	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-91.2	19.3	173.8	0	0	0	0	0	112.8	W631 D632 Q637 A703 I707	W631-A634 HydrophobicContact CB-CB 4.15Å; W631-A634 HydrophobicContact CD2-CB 4.09Å; W631-A634 HydrophobicContact CE3-CB 3.74Å; W631-A634 HydrophobicContact CG-CB 4.29Å; W631-A634 CarbonylContact O-C 3.5Å; W631-A634 PolarHBondContact O-N 3.03Å; W631-A634 VanDerWaalsContact O-N 3.1Å; D632-A634 PolarHBondContact O-N 3.28Å; A634-Q637 HydrophobicContact CB-CB 4.3Å; A634-Q637 WeakPolarHBondContact O-CG 3.32Å; A634-Q637 PolarHBondContact O-NE2 3.38Å; A634-A703 HydrophobicContact CB-CB 4.15Å; A634-I707 HydrophobicContact CB-CD1 3.93Å; A634-I707 HydrophobicContact CB-CG2 4.3Å
635	G	97.1	Very high	98.5	Very high	70 Å²	70	39.4 Å²	39.4	72%	0.722	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	29.3	178.8	0	0	0	0	0	113.8	W631 D632 L633 Q637	W631-G635 PolarHBondContact O-N 3.29Å; D632-G635 PolarHBondContact O-N 2.93Å; L633-G635 VanDerWaalsContact C-N 3.27Å; L633-G635 PolarHBondContact O-N 3.1Å; G635-Q637 VanDerWaalsContact C-N 3.29Å; G635-Q637 PolarHBondContact O-N 3.2Å
636	G	97.9	Very high	98.4	Very high	31 Å²	31	38.5 Å²	38.5	32%	0.32	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	9.2	-178.7	0	0	0	0	0	114.2	S630 W631	S630-G636 VanDerWaalsContact OG-C 3.25Å; S630-G636 WeakPolarHBondContact OG-CA 3.49Å; S630-G636 PolarHBondContact OG-O 2.87Å; W631-G636 WeakPolarHBondContact O-CA 3.48Å; W631-G636 PolarHBondContact O-N 3.21Å
637	Q	98.3	Very high	98.4	Very high	44 Å²	44	39.8 Å²	39.8	21%	0.206	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	146.3	173.2	-75.2	178.5	67.6	0	0	111.3	W631 A634 G635 I707	W631-Q637 PolarHBondContact N-O 3.22Å; A634-Q637 HydrophobicContact CB-CB 4.3Å; A634-Q637 WeakPolarHBondContact O-CG 3.32Å; A634-Q637 PolarHBondContact O-NE2 3.38Å; G635-Q637 VanDerWaalsContact C-N 3.29Å; G635-Q637 PolarHBondContact O-N 3.2Å; Q637-I707 HydrophobicContact CB-CD1 3.76Å
638	H	98.7	Very high	98.5	Very high	101 Å²	101	38.8 Å²	38.8	47%	0.468	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	144.2	173.6	-78.5	-104.3	0	0	0	111.1	G627 N628 F629 I707	G627-H638 WeakPolarHBondContact O-CB 3.45Å; G627-H638 PolarHBondContact O-ND1 3.36Å; N628-H638 PolarHBondContact O-CE1 3.01Å; N628-H638 PolarHBondContact O-ND1 3.32Å; F629-H638 WeakPolarHBondContact O-CA 3.29Å; H638-I707 WeakPolarHBondContact O-CD1 3.44Å
639	L	98.8	Very high	98.5	Very high	9 Å²	9	33.3 Å²	33.3	5%	0.047	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-61.4	155.2	170.1	-53.4	-174.7	0	0	0	110.2	Y626 F629 W631 G641 I707 P714 F717	Y626-L639 HydrophobicContact CD1-CD1 4.5Å; Y626-L639 WeakPolarHBondContact O-CB 3.47Å; F629-L639 HydrophobicContact CB-CD1 4Å; F629-L639 HydrophobicContact CB-CG 4.12Å; F629-L639 HydrophobicContact CD2-CD1 4.27Å; F629-L639 PolarHBondContact O-N 2.69Å; W631-L639 HydrophobicContact CB-CD2 4.29Å; W631-L639 HydrophobicContact CE3-CD2 4.31Å; L639-G641 PolarHBondContact O-N 3.34Å; L639-I707 HydrophobicContact CD2-CD1 4.02Å; L639-I707 HydrophobicContact CD2-CG1 3.97Å; L639-P714 HydrophobicContact CD2-CG 3.86Å; L639-F717 HydrophobicContact CD1-CB 3.98Å; L639-F717 HydrophobicContact CD1-CD2 3.76Å; L639-F717 HydrophobicContact CD1-CG 4.01Å; L639-F717 HydrophobicContact CD2-CD2 4.22Å; L639-F717 HydrophobicContact CD2-CE2 4.43Å; L639-F717 HydrophobicContact CG-CD2 4.31Å
640	N	98.5	Very high	98.5	Very high	44 Å²	44	32.5 Å²	32.5	24%	0.235	20%	0.199	C	C	.	.			trans	-87.1	99.3	170.6	-165.3	-48.8	0	0	0	110	E291 I642 N643 T644	E291-N640 PolarHBondContact OE1-ND2 3.49Å; N640-I642 PolarHBondContact O-N 2.94Å; N640-I642 WeakPolarHBondContact OD1-CB 3.48Å; N640-I642 PolarHBondContact OD1-N 2.82Å; N640-N643 HydrophobicContact CB-CB 4.06Å; N640-N643 PolarHBondContact ND2-ND2 3.45Å; N640-N643 VanDerWaalsContact ND2-ND2 3.16Å; N640-N643 PolarHBondContact O-N 3.38Å; N640-N643 PolarHBondContact OD1-N 2.94Å; N640-T644 WeakPolarHBondContact O-CB 3.13Å; N640-T644 WeakPolarHBondContact O-CG2 3.34Å; N640-T644 PolarHBondContact O-N 3.26Å; N640-T644 PolarHBondContact O-OG1 2.88Å
641	G	98.5	Very high	98.5	Very high	5 Å²	5	29.7 Å²	29.7	5%	0.052	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.9	-179.3	0	0	0	0	0	114.7	L639	L639-G641 PolarHBondContact O-N 3.34Å
642	I	98.6	Very high	98.5	Very high	65 Å²	65	30.5 Å²	30.5	33%	0.333	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-52.5	175.7	-61.4	174.2	0	0	0	109.6	E291 N294 V623 N640 T644 L645	E291-I642 HydrophobicContact CB-CG2 4.1Å; E291-I642 HydrophobicContact CG-CB 4.17Å; E291-I642 HydrophobicContact CG-CD1 4.31Å; E291-I642 HydrophobicContact CG-CG2 4.06Å; N294-I642 WeakPolarHBondContact ND2-CG2 3.46Å; V623-I642 HydrophobicContact CG1-CG1 3.78Å; N640-I642 PolarHBondContact O-N 2.94Å; N640-I642 WeakPolarHBondContact OD1-CB 3.48Å; N640-I642 PolarHBondContact OD1-N 2.82Å; I642-T644 PolarHBondContact O-N 2.88Å; I642-L645 WeakPolarHBondContact O-CB 3.26Å; I642-L645 PolarHBondContact O-N 2.93Å; I642-L645 VanDerWaalsContact O-N 3.1Å
643	N	97.6	Very high	98.5	Very high	32 Å²	32	24.9 Å²	24.9	17%	0.171	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.9	-177	-62.4	-14.2	0	0	0	112.6	E291 N640	E291-N643 VanDerWaalsContact CG-OD1 3.29Å; E291-N643 WeakPolarHBondContact CG-OD1 3.36Å; E291-N643 PolarHBondContact N-OD1 3.12Å; E291-N643 PolarHBondContact OE1-ND2 3.21Å; E291-N643 PolarHBondContact OE1-OD1 2.96Å; N640-N643 HydrophobicContact CB-CB 4.06Å; N640-N643 PolarHBondContact ND2-ND2 3.45Å; N640-N643 VanDerWaalsContact ND2-ND2 3.16Å; N640-N643 PolarHBondContact O-N 3.38Å; N640-N643 PolarHBondContact OD1-N 2.94Å
644	T	98.8	Very high	98.5	Very high	7 Å²	7	22.7 Å²	22.7	4%	0.043	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	0.4	177.4	60	0	0	0	0	114.3	N640 I642 G646 E647 N648 V711	N640-T644 WeakPolarHBondContact O-CB 3.13Å; N640-T644 WeakPolarHBondContact O-CG2 3.34Å; N640-T644 PolarHBondContact O-N 3.26Å; N640-T644 PolarHBondContact O-OG1 2.88Å; I642-T644 PolarHBondContact O-N 2.88Å; T644-G646 PolarHBondContact O-N 3.2Å; T644-E647 PolarHBondContact O-N 3.42Å; T644-N648 WeakPolarHBondContact CB-ND2 3.38Å; T644-N648 WeakPolarHBondContact O-CB 3.45Å; T644-N648 PolarHBondContact O-N 3.47Å; T644-N648 PolarHBondContact O-ND2 3.47Å; T644-N648 PolarHBondContact OG1-ND2 3.23Å; T644-V711 WeakPolarHBondContact CA-O 3.49Å
645	L	98.9	Very high	98.6	Very high	10 Å²	10	22.9 Å²	22.9	5%	0.052	14%	0.144	C	C	.	.	H	α-helix	trans	-60.4	-49.2	-168.2	-177.6	58.7	0	0	0	113	D592 M622 V623 I642 E647 N648 I649	D592-L645 HydrophobicContact CB-CD2 4.2Å; M622-L645 HydrophobicContact CB-CD1 4.02Å; V623-L645 HydrophobicContact CG2-CD1 3.74Å; V623-L645 HydrophobicContact CG2-CD2 3.74Å; V623-L645 HydrophobicContact CG2-CG 4.21Å; I642-L645 WeakPolarHBondContact O-CB 3.26Å; I642-L645 PolarHBondContact O-N 2.93Å; I642-L645 VanDerWaalsContact O-N 3.1Å; L645-E647 PolarHBondContact O-N 3.32Å; L645-N648 PolarHBondContact O-N 3.21Å; L645-I649 HydrophobicContact CD1-CD1 3.88Å; L645-I649 HydrophobicContact CD1-CG1 4Å; L645-I649 HydrophobicContact CD2-CD1 4.43Å; L645-I649 HydrophobicContact CG-CD1 3.77Å; L645-I649 HydrophobicContact CG-CG1 4.31Å; L645-I649 VanDerWaalsContact O-CG1 3.31Å; L645-I649 WeakPolarHBondContact O-CG1 3.45Å; L645-I649 PolarHBondContact O-N 3.48Å
646	G	98.7	Very high	98.7	Very high	9 Å²	9	20.4 Å²	20.4	9%	0.093	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-48.2	-178.2	0	0	0	0	0	112.5	D592 T644 N648 I649 A650	D592-G646 WeakPolarHBondContact OD1-CA 3.24Å; D592-G646 PolarHBondContact OD1-N 3.47Å; T644-G646 PolarHBondContact O-N 3.2Å; G646-N648 PolarHBondContact O-N 3.45Å; G646-I649 PolarHBondContact O-N 2.91Å; G646-A650 WeakPolarHBondContact O-CB 3.1Å; G646-A650 PolarHBondContact O-N 3.05Å
647	E	98.8	Very high	98.7	Very high	26 Å²	26	19 Å²	19	12%	0.121	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-40.5	176.3	-62.1	-56.6	146.4	0	0	112.7	H584 H588 T644 L645 A650 D651 V711 H712 R718	H584-E647 IonicContact CE1-OE2 2.79Å; H584-E647 PolarHBondContact CE1-OE2 3.07Å; H584-E647 VanDerWaalsContact CE1-OE2 3.26Å; H584-E647 IonicContact NE2-OE2 2.68Å; H584-E647 PolarHBondContact NE2-OE2 3.4Å; H584-E647 VanDerWaalsContact NE2-OE2 3.16Å; H588-E647 VanDerWaalsContact CE1-CD 3.47Å; H588-E647 IonicContact CE1-OE1 3.53Å; H588-E647 PolarHBondContact CE1-OE1 2.84Å; H588-E647 IonicContact CE1-OE2 2.85Å; H588-E647 IonicContact NE2-OE1 3.85Å; H588-E647 IonicContact NE2-OE2 3.34Å; H588-E647 PolarHBondContact NE2-OE2 2.95Å; T644-E647 PolarHBondContact O-N 3.42Å; L645-E647 PolarHBondContact O-N 3.32Å; E647-A650 PolarHBondContact O-N 2.89Å; E647-D651 PolarHBondContact O-N 2.76Å; E647-V711 HydrophobicContact CG-CB 4.22Å; E647-V711 HydrophobicContact CG-CG2 3.93Å; E647-V711 WeakPolarHBondContact CG-O 3.37Å; E647-H712 HydrophobicContact CG-CB 4.43Å; E647-H712 IonicContact OE1-NE2 3.5Å; E647-H712 IonicContact OE2-CD2 3.3Å; E647-H712 PolarHBondContact OE2-CD2 2.95Å; E647-H712 IonicContact OE2-NE2 2.67Å; E647-H712 PolarHBondContact OE2-NE2 3.48Å; E647-R718 IonicContact OE2-NH2 3.38Å
648	N	98.9	Very high	98.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-68	-39	177.5	-63	-30.3	0	0	0	111.4	Y626 T644 L645 G646 A650 D651 N652 S713	Y626-N648 WeakPolarHBondContact CD1-ND2 3.37Å; Y626-N648 WeakPolarHBondContact CD1-OD1 3.45Å; Y626-N648 HydrophobicContact CD2-CB 4.11Å; Y626-N648 HydrophobicContact CE1-CB 4.27Å; Y626-N648 WeakPolarHBondContact CE1-OD1 3.19Å; Y626-N648 HydrophobicContact CE2-CB 3.84Å; Y626-N648 HydrophobicContact CG-CB 4.44Å; T644-N648 WeakPolarHBondContact CB-ND2 3.38Å; T644-N648 WeakPolarHBondContact O-CB 3.45Å; T644-N648 PolarHBondContact O-N 3.47Å; T644-N648 PolarHBondContact O-ND2 3.47Å; T644-N648 PolarHBondContact OG1-ND2 3.23Å; L645-N648 PolarHBondContact O-N 3.21Å; G646-N648 PolarHBondContact O-N 3.45Å; N648-A650 VanDerWaalsContact C-N 3.34Å; N648-D651 PolarHBondContact O-N 3.15Å; N648-N652 WeakPolarHBondContact O-CB 3.18Å; N648-N652 PolarHBondContact O-N 3.2Å; N648-N652 VanDerWaalsContact O-N 3.09Å; N648-N652 PolarHBondContact O-ND2 3.49Å; N648-S713 WeakPolarHBondContact OD1-CB 3.31Å; N648-S713 PolarHBondContact OD1-OG 2.94Å
649	I	98.9	Very high	98.7	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-61.6	-46.3	173.4	-71.3	170.9	0	0	0	109.5	T587 D591 F615 M622 L645 G646 N652 G653 V749 W750	T587-I649 HydrophobicContact CG2-CG2 3.97Å; D591-I649 HydrophobicContact CB-CB 4.47Å; D591-I649 HydrophobicContact CB-CG2 4.28Å; F615-I649 HydrophobicContact CZ-CD1 4.04Å; M622-I649 HydrophobicContact SD-CG1 3.93Å; L645-I649 HydrophobicContact CD1-CD1 3.88Å; L645-I649 HydrophobicContact CD1-CG1 4Å; L645-I649 HydrophobicContact CD2-CD1 4.43Å; L645-I649 HydrophobicContact CG-CD1 3.77Å; L645-I649 HydrophobicContact CG-CG1 4.31Å; L645-I649 VanDerWaalsContact O-CG1 3.31Å; L645-I649 WeakPolarHBondContact O-CG1 3.45Å; L645-I649 PolarHBondContact O-N 3.48Å; G646-I649 PolarHBondContact O-N 2.91Å; I649-N652 PolarHBondContact O-N 3.1Å; I649-G653 PolarHBondContact O-N 3.4Å; I649-V749 HydrophobicContact CG1-CG2 4.29Å; I649-V749 HydrophobicContact CG2-CB 4.48Å; I649-W750 VanDerWaalsContact CG2-CD1 3.49Å
650	A	98.9	Very high	98.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.6	-40.9	179.6	0	0	0	0	0	112.4	H584 T587 G646 E647 N648 G654	H584-A650 WeakPolarHBondContact CE1-CB 3.43Å; H584-A650 VanDerWaalsContact ND1-C 3.25Å; H584-A650 VanDerWaalsContact ND1-CB 3.29Å; H584-A650 WeakPolarHBondContact ND1-CB 3.42Å; T587-A650 HydrophobicContact CG2-CB 4.42Å; G646-A650 WeakPolarHBondContact O-CB 3.1Å; G646-A650 PolarHBondContact O-N 3.05Å; E647-A650 PolarHBondContact O-N 2.89Å; N648-A650 VanDerWaalsContact C-N 3.34Å; A650-G654 WeakPolarHBondContact O-CA 3.49Å; A650-G654 PolarHBondContact O-N 3.37Å
651	D	98.9	Very high	98.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.7	-49.7	173.3	-79.1	-15.7	0	0	0	113	M580 H584 E647 N648 I655 R718	M580-D651 HydrophobicContact CE-CB 4.16Å; M580-D651 VanDerWaalsContact CE-OD1 3.23Å; M580-D651 WeakPolarHBondContact CE-OD1 3.39Å; H584-D651 IonicContact CE1-OD1 2.64Å; H584-D651 PolarHBondContact CE1-OD1 2.88Å; H584-D651 PolarHBondContact ND1-N 3.09Å; H584-D651 IonicContact ND1-OD1 4Å; H584-D651 PolarHBondContact ND1-OD1 3.16Å; E647-D651 PolarHBondContact O-N 2.76Å; N648-D651 PolarHBondContact O-N 3.15Å; D651-I655 WeakPolarHBondContact O-CG2 3.39Å; D651-I655 PolarHBondContact O-N 2.68Å; D651-R718 IonicContact OD1-CZ 2.63Å; D651-R718 IonicContact OD1-NE 2.88Å; D651-R718 PolarHBondContact OD1-NE 2.84Å; D651-R718 IonicContact OD1-NH2 2.8Å; D651-R718 PolarHBondContact OD1-NH2 2.95Å; D651-R718 WeakPolarHBondContact OD2-CB 3.46Å; D651-R718 WeakPolarHBondContact OD2-CG 3.47Å; D651-R718 IonicContact OD2-CZ 3.86Å; D651-R718 IonicContact OD2-NE 3.63Å; D651-R718 PolarHBondContact OD2-NE 2.96Å; D651-R718 IonicContact OD2-NH2 2.87Å; D651-R718 PolarHBondContact OD2-NH2 3.04Å
652	N	98.9	Very high	98.8	Very high	19 Å²	19	12.2 Å²	12.2	10%	0.102	7%	0.067	C	C	.	.	H	α-helix	trans	-69.5	-42.1	-175.7	-79.5	-100.1	0	0	0	111.5	M622 Y626 N648 I649 G656 N725	M622-N652 HydrophobicContact CE-CB 3.54Å; M622-N652 HydrophobicContact SD-CB 4.39Å; Y626-N652 PolarHBondContact OH-ND2 3.27Å; Y626-N652 VanDerWaalsContact OH-ND2 3.15Å; N648-N652 WeakPolarHBondContact O-CB 3.18Å; N648-N652 PolarHBondContact O-N 3.2Å; N648-N652 VanDerWaalsContact O-N 3.09Å; N648-N652 PolarHBondContact O-ND2 3.49Å; I649-N652 PolarHBondContact O-N 3.1Å; N652-G656 PolarHBondContact O-N 3.42Å; N652-N725 VanDerWaalsContact OD1-CB 3.31Å; N652-N725 WeakPolarHBondContact OD1-CB 3.38Å; N652-N725 PolarHBondContact OD1-ND2 2.95Å
653	G	98.8	Very high	98.8	Very high	2 Å²	2	12.8 Å²	12.8	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-64.8	-49	173.7	0	0	0	0	0	111.6	I649 I655 G656 Q657	I649-G653 PolarHBondContact O-N 3.4Å; G653-I655 PolarHBondContact O-N 3.04Å; G653-G656 PolarHBondContact O-N 3.3Å; G653-Q657 WeakPolarHBondContact O-CG 3.44Å; G653-Q657 PolarHBondContact O-N 3.27Å; G653-Q657 PolarHBondContact O-NE2 3.36Å
654	G	98.8	Very high	98.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.3	-45.7	-175.3	0	0	0	0	0	113.7	A650 G656 Q657 A658	A650-G654 WeakPolarHBondContact O-CA 3.49Å; A650-G654 PolarHBondContact O-N 3.37Å; G654-G656 VanDerWaalsContact C-N 3.32Å; G654-G656 PolarHBondContact O-N 3.3Å; G654-Q657 PolarHBondContact O-N 2.92Å; G654-A658 VanDerWaalsContact O-CB 3.28Å; G654-A658 WeakPolarHBondContact O-CB 3.04Å; G654-A658 PolarHBondContact O-N 3.42Å
655	I	98.8	Very high	98.8	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-64.8	-37.6	177.5	-164.8	62.5	0	0	0	112	M580 D651 G653 Y659 F686 F687 F690 T722	M580-I655 HydrophobicContact CB-CD1 4Å; M580-I655 HydrophobicContact CG-CB 4.08Å; M580-I655 HydrophobicContact CG-CD1 3.84Å; D651-I655 WeakPolarHBondContact O-CG2 3.39Å; D651-I655 PolarHBondContact O-N 2.68Å; G653-I655 PolarHBondContact O-N 3.04Å; I655-Y659 WeakPolarHBondContact O-CB 3.4Å; I655-Y659 PolarHBondContact O-N 3.06Å; I655-F686 HydrophobicContact CD1-CE1 3.43Å; I655-F686 VanDerWaalsContact CD1-CE1 3.43Å; I655-F686 HydrophobicContact CD1-CZ 3.55Å; I655-F686 HydrophobicContact CG1-CE1 3.98Å; I655-F686 HydrophobicContact CG1-CZ 4.28Å; I655-F687 HydrophobicContact CG1-CE1 4.41Å; I655-F690 HydrophobicContact CD1-CB 3.79Å; I655-F690 HydrophobicContact CD1-CD1 4.24Å; I655-F690 HydrophobicContact CD1-CD2 3.63Å; I655-F690 HydrophobicContact CD1-CE2 4.29Å; I655-F690 HydrophobicContact CD1-CG 3.59Å; I655-F690 HydrophobicContact CG1-CD2 4.42Å; I655-F690 HydrophobicContact CG1-CG 4.39Å; I655-T722 HydrophobicContact CB-CG2 4.06Å; I655-T722 HydrophobicContact CG2-CG2 3.35Å
656	G	98.8	Very high	98.8	Very high	18 Å²	18	17.2 Å²	17.2	19%	0.186	9%	0.089	C	C	.	.	H	α-helix	trans	-69.6	-41.8	-178.7	0	0	0	0	0	111.8	N652 G653 G654 R660	N652-G656 PolarHBondContact O-N 3.42Å; G653-G656 PolarHBondContact O-N 3.3Å; G654-G656 VanDerWaalsContact C-N 3.32Å; G654-G656 PolarHBondContact O-N 3.3Å; G656-R660 PolarHBondContact O-N 3.22Å; G656-R660 VanDerWaalsContact O-N 3.07Å; G656-R660 PolarHBondContact O-NE 2.71Å
657	Q	98.9	Very high	98.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.7	-47.1	174	-65.8	153.8	27	0	0	111	I447 V450 G583 T587 G653 G654 Y659 R660 A661	I447-Q657 HydrophobicContact CG2-CB 4.15Å; V450-Q657 HydrophobicContact CG1-CB 4.25Å; V450-Q657 WeakPolarHBondContact CG1-O 3.47Å; G583-Q657 VanDerWaalsContact CA-OE1 3.27Å; G583-Q657 PolarHBondContact O-OE1 2.74Å; T587-Q657 PolarHBondContact OG1-NE2 2.88Å; T587-Q657 PolarHBondContact OG1-OE1 2.97Å; G653-Q657 WeakPolarHBondContact O-CG 3.44Å; G653-Q657 PolarHBondContact O-N 3.27Å; G653-Q657 PolarHBondContact O-NE2 3.36Å; G654-Q657 PolarHBondContact O-N 2.92Å; Q657-Y659 VanDerWaalsContact C-N 3.33Å; Q657-Y659 PolarHBondContact O-N 2.95Å; Q657-R660 PolarHBondContact O-N 3.33Å; Q657-A661 WeakPolarHBondContact O-CB 3.44Å; Q657-A661 PolarHBondContact O-N 2.64Å
658	A	98.9	Very high	98.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-39	178.5	0	0	0	0	0	112.8	Y575 G579 M580 G654 A661 Y662 F686	Y575-A658 WeakPolarHBondContact O-CB 3.2Å; G579-A658 VanDerWaalsContact C-CB 3.48Å; M580-A658 HydrophobicContact CB-CB 4.29Å; G654-A658 VanDerWaalsContact O-CB 3.28Å; G654-A658 WeakPolarHBondContact O-CB 3.04Å; G654-A658 PolarHBondContact O-N 3.42Å; A658-A661 PolarHBondContact O-N 3.29Å; A658-Y662 WeakPolarHBondContact O-CB 3.19Å; A658-Y662 PolarHBondContact O-N 3.48Å; A658-F686 HydrophobicContact CB-CE2 4.16Å; A658-F686 HydrophobicContact CB-CZ 4.05Å
659	Y	98.9	Very high	98.7	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-67.1	-44.1	176.9	-173.6	-104.5	0	0	0	111.9	I655 Q657 A661 Y662 Q663 K683 F686 F687 E728	I655-Y659 WeakPolarHBondContact O-CB 3.4Å; I655-Y659 PolarHBondContact O-N 3.06Å; Q657-Y659 VanDerWaalsContact C-N 3.33Å; Q657-Y659 PolarHBondContact O-N 2.95Å; Y659-A661 VanDerWaalsContact C-N 3.33Å; Y659-A661 PolarHBondContact O-N 2.94Å; Y659-Y662 WeakPolarHBondContact O-CB 3.48Å; Y659-Y662 PolarHBondContact O-N 3.49Å; Y659-Q663 HydrophobicContact CD1-CG 4.18Å; Y659-Q663 HydrophobicContact CE1-CG 3.9Å; Y659-Q663 WeakPolarHBondContact O-CG 3.41Å; Y659-Q663 PolarHBondContact O-N 2.87Å; Y659-K683 HydrophobicContact CE2-CB 4.42Å; Y659-K683 HydrophobicContact CE2-CG 4.44Å; Y659-K683 WeakPolarHBondContact OH-CD 3.24Å; Y659-F686 AromaticContact CD2-CD1 3.61Å; Y659-F686 HydrophobicContact CD2-CD1 3.61Å; Y659-F686 HydrophobicContact CD2-CD2 4.41Å; Y659-F686 AromaticContact CD2-CE1 3.65Å; Y659-F686 HydrophobicContact CD2-CE1 3.65Å; Y659-F686 HydrophobicContact CD2-CE2 4.42Å; Y659-F686 HydrophobicContact CD2-CG 4.04Å; Y659-F686 HydrophobicContact CD2-CZ 4.08Å; Y659-F686 HydrophobicContact CE2-CD1 4.34Å; Y659-F686 HydrophobicContact CG-CE1 4.16Å; Y659-F686 HydrophobicContact CG-CZ 4.37Å; Y659-F687 HydrophobicContact CD2-CE2 4.09Å; Y659-F687 AromaticContact CD2-CZ 3.8Å; Y659-F687 HydrophobicContact CD2-CZ 3.8Å; Y659-F687 AromaticContact CE2-CE2 3.75Å; Y659-F687 HydrophobicContact CE2-CE2 3.75Å; Y659-F687 AromaticContact CE2-CZ 3.88Å; Y659-F687 HydrophobicContact CE2-CZ 3.88Å; Y659-F687 HydrophobicContact CG-CZ 4.24Å; Y659-E728 HydrophobicContact CD1-CB 3.79Å; Y659-E728 HydrophobicContact CD1-CG 3.71Å; Y659-E728 HydrophobicContact CE1-CB 3.4Å; Y659-E728 HydrophobicContact CE1-CG 3.47Å; Y659-E728 VanDerWaalsContact CE1-CG 3.47Å
660	R	98.9	Very high	98.6	Very high	53 Å²	53	38.8 Å²	38.8	20%	0.2	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-40.8	174.3	-79.6	-175.2	-78.2	-120.8	0.7	111.9	V450 T454 G656 Q657 Q663 N664	V450-R660 HydrophobicContact CG1-CB 3.6Å; T454-R660 PolarHBondContact OG1-NE 3.03Å; T454-R660 PolarHBondContact OG1-NH2 3.49Å; G656-R660 PolarHBondContact O-N 3.22Å; G656-R660 VanDerWaalsContact O-N 3.07Å; G656-R660 PolarHBondContact O-NE 2.71Å; Q657-R660 PolarHBondContact O-N 3.33Å; R660-Q663 PolarHBondContact O-N 3.04Å; R660-N664 PolarHBondContact O-N 2.97Å
661	A	98.9	Very high	98.5	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-42.4	174.4	0	0	0	0	0	111.7	I447 V450 Y575 Q657 A658 Y659 Q663 N664 Y665	I447-A661 HydrophobicContact CG1-CB 3.98Å; V450-A661 HydrophobicContact CG2-CB 3.96Å; Y575-A661 HydrophobicContact CD1-CB 3.89Å; Y575-A661 HydrophobicContact CE1-CB 3.64Å; Q657-A661 WeakPolarHBondContact O-CB 3.44Å; Q657-A661 PolarHBondContact O-N 2.64Å; A658-A661 PolarHBondContact O-N 3.29Å; Y659-A661 VanDerWaalsContact C-N 3.33Å; Y659-A661 PolarHBondContact O-N 2.94Å; A661-Q663 PolarHBondContact O-N 2.92Å; A661-N664 WeakPolarHBondContact O-CB 3.42Å; A661-N664 PolarHBondContact O-N 3.01Å; A661-Y665 PolarHBondContact O-N 3.47Å
662	Y	98.9	Very high	98.5	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-40.9	173.4	178.4	-113.6	0	0	0	112.5	N571 Y575 A658 Y659 N664 Y665 V666 H682 F686	N571-Y662 HydrophobicContact CB-CE2 4.42Å; Y575-Y662 AromaticContact CD2-CD2 3.61Å; Y575-Y662 HydrophobicContact CD2-CD2 3.61Å; Y575-Y662 HydrophobicContact CD2-CG 4.26Å; Y575-Y662 HydrophobicContact CE2-CD2 4.18Å; Y575-Y662 HydrophobicContact CG-CD2 4.2Å; Y575-Y662 HydrophobicContact CG-CG 4.43Å; A658-Y662 WeakPolarHBondContact O-CB 3.19Å; A658-Y662 PolarHBondContact O-N 3.48Å; Y659-Y662 WeakPolarHBondContact O-CB 3.48Å; Y659-Y662 PolarHBondContact O-N 3.49Å; Y662-N664 VanDerWaalsContact C-N 3.33Å; Y662-N664 PolarHBondContact O-N 3.39Å; Y662-Y665 HydrophobicContact CD2-CD1 4.42Å; Y662-Y665 HydrophobicContact CE2-CD1 4.29Å; Y662-Y665 WeakPolarHBondContact O-CB 3.39Å; Y662-Y665 PolarHBondContact O-N 2.88Å; Y662-V666 HydrophobicContact CD2-CG2 4.39Å; Y662-V666 HydrophobicContact CE1-CG2 3.91Å; Y662-V666 HydrophobicContact CE2-CG2 3.8Å; Y662-V666 VanDerWaalsContact CZ-CG2 3.49Å; Y662-V666 WeakPolarHBondContact O-CG2 3.41Å; Y662-V666 PolarHBondContact O-N 2.98Å; Y662-V666 WeakPolarHBondContact OH-CG2 3.47Å; Y662-H682 WeakPolarHBondContact OH-CB 3.5Å; Y662-F686 HydrophobicContact CD1-CD2 4.47Å; Y662-F686 HydrophobicContact CG-CD2 4.43Å
663	Q	98.8	Very high	98.4	Very high	77 Å²	77	50.8 Å²	50.8	36%	0.36	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-39.8	174.6	-70.4	-178.5	-53.6	0	0	112.1	Y659 R660 A661 Y665 V666 K667	Y659-Q663 HydrophobicContact CD1-CG 4.18Å; Y659-Q663 HydrophobicContact CE1-CG 3.9Å; Y659-Q663 WeakPolarHBondContact O-CG 3.41Å; Y659-Q663 PolarHBondContact O-N 2.87Å; R660-Q663 PolarHBondContact O-N 3.04Å; A661-Q663 PolarHBondContact O-N 2.92Å; Q663-Y665 VanDerWaalsContact C-N 3.34Å; Q663-V666 PolarHBondContact O-N 2.83Å; Q663-K667 VanDerWaalsContact O-CB 3.32Å; Q663-K667 WeakPolarHBondContact O-CB 3.27Å; Q663-K667 PolarHBondContact O-N 2.78Å
664	N	98.7	Very high	98.4	Very high	67 Å²	67	54.4 Å²	54.4	36%	0.358	27%	0.266	S	S	.	.	H	α-helix	trans	-63.5	-40.8	173.9	-73.1	-14.9	0	0	0	111.6	R660 A661 Y662 K667 K668	R660-N664 PolarHBondContact O-N 2.97Å; A661-N664 WeakPolarHBondContact O-CB 3.42Å; A661-N664 PolarHBondContact O-N 3.01Å; Y662-N664 VanDerWaalsContact C-N 3.33Å; Y662-N664 PolarHBondContact O-N 3.39Å; N664-K667 PolarHBondContact O-N 2.86Å; N664-K668 WeakPolarHBondContact O-CB 3.39Å; N664-K668 PolarHBondContact O-N 3.14Å
665	Y	98.6	Very high	98.3	Very high	52 Å²	52	54.6 Å²	54.6	20%	0.204	27%	0.267	C	S	.	.	H	α-helix	trans	-58.1	-50.4	173.2	172.7	-88	0	0	0	111.6	N571 Y575 A661 Y662 Q663 K667 K668 N669 E672	N571-Y665 HydrophobicContact CB-CD1 4.23Å; N571-Y665 HydrophobicContact CB-CE1 3.9Å; N571-Y665 VanDerWaalsContact ND2-CZ 3.31Å; N571-Y665 PolarHBondContact ND2-OH 2.91Å; Y575-Y665 HydrophobicContact CE2-CD2 4.3Å; Y575-Y665 HydrophobicContact CE2-CG 4.04Å; A661-Y665 PolarHBondContact O-N 3.47Å; Y662-Y665 HydrophobicContact CD2-CD1 4.42Å; Y662-Y665 HydrophobicContact CE2-CD1 4.29Å; Y662-Y665 WeakPolarHBondContact O-CB 3.39Å; Y662-Y665 PolarHBondContact O-N 2.88Å; Q663-Y665 VanDerWaalsContact C-N 3.34Å; Y665-K667 PolarHBondContact O-N 3.41Å; Y665-K668 PolarHBondContact O-N 3.09Å; Y665-N669 WeakPolarHBondContact CD2-ND2 3.2Å; Y665-N669 HydrophobicContact CE1-CB 4.36Å; Y665-N669 HydrophobicContact CE2-CB 4.32Å; Y665-N669 VanDerWaalsContact CE2-ND2 3.26Å; Y665-N669 WeakPolarHBondContact CE2-ND2 3.21Å; Y665-N669 WeakPolarHBondContact O-CB 3.5Å; Y665-N669 PolarHBondContact O-N 3.39Å; Y665-N669 PolarHBondContact O-ND2 2.88Å; Y665-E672 HydrophobicContact CE1-CG 4.13Å
666	V	98.5	Very high	98.3	Very high	23 Å²	23	56 Å²	56	14%	0.139	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-41.3	178.6	173.4	0	0	0	0	111.3	Y662 Q663 K668 N669 G670 E671	Y662-V666 HydrophobicContact CD2-CG2 4.39Å; Y662-V666 HydrophobicContact CE1-CG2 3.91Å; Y662-V666 HydrophobicContact CE2-CG2 3.8Å; Y662-V666 VanDerWaalsContact CZ-CG2 3.49Å; Y662-V666 WeakPolarHBondContact O-CG2 3.41Å; Y662-V666 PolarHBondContact O-N 2.98Å; Y662-V666 WeakPolarHBondContact OH-CG2 3.47Å; Q663-V666 PolarHBondContact O-N 2.83Å; V666-K668 PolarHBondContact O-N 2.81Å; V666-N669 PolarHBondContact O-N 2.98Å; V666-G670 CarbonylContact O-C 3.6Å; V666-G670 VanDerWaalsContact O-CA 3.26Å; V666-G670 WeakPolarHBondContact O-CA 3.28Å; V666-G670 PolarHBondContact O-N 3.49Å; V666-E671 HydrophobicContact CG1-CG 4.24Å; V666-E671 WeakPolarHBondContact CG1-OE1 3.42Å
667	K	98.3	Very high	98.2	Very high	183 Å²	183	58.5 Å²	58.5	80%	0.796	30%	0.302	S	S	*	.	H	α-helix	trans	-60.1	-34.3	176.7	-176.1	179	178.3	-176.8	0	112.3	Q663 N664 Y665	Q663-K667 VanDerWaalsContact O-CB 3.32Å; Q663-K667 WeakPolarHBondContact O-CB 3.27Å; Q663-K667 PolarHBondContact O-N 2.78Å; N664-K667 PolarHBondContact O-N 2.86Å; Y665-K667 PolarHBondContact O-N 3.41Å
668	K	98.1	Very high	98.1	Very high	177 Å²	177	59.3 Å²	59.3	77%	0.77	31%	0.307	S	S	*	.	H	α-helix	trans	-84.3	-40.8	-179.6	-177.2	177.8	176	-176.2	0	112.9	N664 Y665 V666	N664-K668 WeakPolarHBondContact O-CB 3.39Å; N664-K668 PolarHBondContact O-N 3.14Å; Y665-K668 PolarHBondContact O-N 3.09Å; V666-K668 PolarHBondContact O-N 2.81Å
669	N	97.9	Very high	98	Very high	93 Å²	93	67.6 Å²	67.6	50%	0.497	35%	0.351	S	S	.	.	H	α-helix	trans	-110.4	-8.6	-167.1	-57.6	-66.1	0	0	0	114.1	Y665 V666	Y665-N669 WeakPolarHBondContact CD2-ND2 3.2Å; Y665-N669 HydrophobicContact CE1-CB 4.36Å; Y665-N669 HydrophobicContact CE2-CB 4.32Å; Y665-N669 VanDerWaalsContact CE2-ND2 3.26Å; Y665-N669 WeakPolarHBondContact CE2-ND2 3.21Å; Y665-N669 WeakPolarHBondContact O-CB 3.5Å; Y665-N669 PolarHBondContact O-N 3.39Å; Y665-N669 PolarHBondContact O-ND2 2.88Å; V666-N669 PolarHBondContact O-N 2.98Å
670	G	97.5	Very high	98	Very high	36 Å²	36	68.3 Å²	68.3	37%	0.371	36%	0.355	S	S	.	.			trans	84.9	175.9	-171.5	0	0	0	0	0	113	V666	V666-G670 CarbonylContact O-C 3.6Å; V666-G670 VanDerWaalsContact O-CA 3.26Å; V666-G670 WeakPolarHBondContact O-CA 3.28Å; V666-G670 PolarHBondContact O-N 3.49Å
671	E	96.3	Very high	98	Very high	139 Å²	139	68.9 Å²	68.9	65%	0.65	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-70	144	176.9	-68.4	-69.7	170.7	0	0	111.5	V666	V666-E671 HydrophobicContact CG1-CG 4.24Å; V666-E671 WeakPolarHBondContact CG1-OE1 3.42Å
672	E	97.6	Very high	98	Very high	32 Å²	32	68.9 Å²	68.9	15%	0.15	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-77.9	158.9	175.1	-56.8	-171.8	93.1	0	0	111.6	N571 S572 Y665 H682	N571-E672 WeakPolarHBondContact CB-OE1 3.47Å; N571-E672 WeakPolarHBondContact CB-OE2 3.47Å; N571-E672 PolarHBondContact N-OE1 3.47Å; N571-E672 PolarHBondContact N-OE2 3.37Å; N571-E672 VanDerWaalsContact N-OE2 3.15Å; N571-E672 PolarHBondContact ND2-OE1 3.28Å; S572-E672 PolarHBondContact N-OE2 2.62Å; Y665-E672 HydrophobicContact CE1-CG 4.13Å; E672-H682 IonicContact OE2-ND1 2.72Å
673	K	97.7	Very high	98	Very high	101 Å²	101	71.5 Å²	71.5	44%	0.439	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-69	133	170.9	-68.1	-169	178.8	-154.3	0	110.7	D53 G55 C57 H682	D53-K673 IonicContact OD1-NZ 3.12Å; D53-K673 PolarHBondContact OD1-NZ 2.97Å; D53-K673 VanDerWaalsContact OD2-CE 3.31Å; D53-K673 WeakPolarHBondContact OD2-CE 3.36Å; D53-K673 IonicContact OD2-NZ 2.71Å; D53-K673 PolarHBondContact OD2-NZ 3.18Å; G55-K673 CarbonylContact O-C 3.56Å; G55-K673 WeakPolarHBondContact O-CA 3.27Å; G55-K673 WeakPolarHBondContact O-CB 3.39Å; C57-K673 HydrophobicContact CB-CB 4.06Å; K673-H682 VanDerWaalsContact C-NE2 3.31Å; K673-H682 PolarHBondContact O-NE2 2.98Å
674	L	98.3	Very high	98	Very high	78 Å²	78	69.1 Å²	69.1	41%	0.408	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-60.6	151.9	-178.1	-62.9	175.3	0	0	0	112.4	G55 I56 C57	G55-L674 PolarHBondContact O-N 3.25Å; I56-L674 CarbonylContact C-O 3.55Å; I56-L674 WeakPolarHBondContact CA-O 3.15Å; C57-L674 PolarHBondContact N-O 3.26Å
675	L	98.2	Very high	98	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.021	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-79	141.8	174.6	-71.1	-175.2	0	0	0	111.9	C62 A66 L69 L573 L678 L685	C62-L675 HydrophobicContact CB-CD2 3.72Å; A66-L675 HydrophobicContact CB-CB 4.25Å; A66-L675 HydrophobicContact CB-CD1 4.47Å; L69-L675 HydrophobicContact CD1-CD1 3.66Å; L573-L675 HydrophobicContact CD1-CD1 4.27Å; L675-L678 HydrophobicContact CB-CD1 4.12Å; L675-L678 HydrophobicContact CD1-CD1 4.22Å; L675-L685 HydrophobicContact CB-CD1 4.24Å; L675-L685 HydrophobicContact CD1-CD1 3.86Å; L675-L685 HydrophobicContact CG-CD1 3.95Å
676	P	97.4	Very high	98	Very high	33 Å²	33	63.4 Å²	63.4	21%	0.214	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	141	-178.9	28.9	-32.8	0	0	0	111.3	I56 C57 I63 A66 L678	I56-P676 HydrophobicContact CG2-CB 3.72Å; I56-P676 HydrophobicContact CG2-CG 4.44Å; C57-P676 VanDerWaalsContact O-CD 3.3Å; C57-P676 WeakPolarHBondContact O-CD 3.5Å; I63-P676 HydrophobicContact CG1-CG 4.11Å; A66-P676 HydrophobicContact CB-CG 4.29Å; A66-P676 WeakPolarHBondContact CB-O 3.38Å; P676-L678 VanDerWaalsContact C-N 3.26Å; P676-L678 PolarHBondContact O-N 2.79Å
677	G	96.7	Very high	98	Very high	71 Å²	71	62.4 Å²	62.4	73%	0.732	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	9.8	175.3	0	0	0	0	0	115.1	I70	I70-G677 WeakPolarHBondContact CD1-O 3.43Å
678	L	97.4	Very high	98.1	Very high	17 Å²	17	53.7 Å²	53.7	9%	0.089	29%	0.291	C	S	.	.			trans	-124.2	118.3	175.5	-76.3	160.9	0	0	0	109.5	A66 L69 I70 M73 L675 P676 L680 L685	A66-L678 HydrophobicContact CB-CD1 4.12Å; L69-L678 HydrophobicContact CB-CD1 3.93Å; L69-L678 HydrophobicContact CD1-CD1 3.74Å; L69-L678 HydrophobicContact CG-CD1 4.5Å; I70-L678 HydrophobicContact CD1-CD2 4.44Å; I70-L678 HydrophobicContact CD1-CG 4.08Å; I70-L678 HydrophobicContact CG1-CD1 4.28Å; I70-L678 HydrophobicContact CG1-CD2 3.56Å; I70-L678 HydrophobicContact CG1-CG 3.7Å; M73-L678 HydrophobicContact SD-CD2 3.86Å; L675-L678 HydrophobicContact CB-CD1 4.12Å; L675-L678 HydrophobicContact CD1-CD1 4.22Å; P676-L678 VanDerWaalsContact C-N 3.26Å; P676-L678 PolarHBondContact O-N 2.79Å; L678-L680 HydrophobicContact CD2-CD1 4.32Å; L678-L680 PolarHBondContact O-N 3.3Å; L678-L685 HydrophobicContact CD1-CD2 4Å
679	D	97.1	Very high	98.1	Very high	174 Å²	174	45.2 Å²	45.2	93%	0.93	25%	0.254	S	S	*	.			trans	-82.2	49.9	172.4	-61.3	-40.9	0	0	0	110.8
680	L	98.4	Very high	98.1	Very high	20 Å²	20	40.9 Å²	40.9	11%	0.105	23%	0.231	C	C	.	.			trans	-129.8	136.9	-178.4	-64.9	178.2	0	0	0	110.6	L678 Q684 L685 L688 F733	L678-L680 HydrophobicContact CD2-CD1 4.32Å; L678-L680 PolarHBondContact O-N 3.3Å; L680-Q684 HydrophobicContact CB-CB 4.15Å; L680-Q684 HydrophobicContact CD2-CB 4.12Å; L680-L685 HydrophobicContact CB-CD2 3.89Å; L680-L685 HydrophobicContact CB-CG 4.18Å; L680-L685 HydrophobicContact CD1-CD2 4.09Å; L680-L688 HydrophobicContact CD1-CD2 3.71Å; L680-F733 HydrophobicContact CD2-CE1 4.47Å
681	N	98.6	Very high	98.2	Very high	64 Å²	64	39.1 Å²	39.1	34%	0.342	21%	0.213	S	C	.	.			trans	-79.1	168.3	171.9	69.1	49.5	0	0	0	111.5	K683 Q684 L685	N681-K683 VanDerWaalsContact C-N 3.33Å; N681-K683 PolarHBondContact O-N 3.35Å; N681-K683 WeakPolarHBondContact OD1-CB 3.2Å; N681-K683 PolarHBondContact OD1-N 3.34Å; N681-Q684 PolarHBondContact ND2-OE1 3.07Å; N681-Q684 WeakPolarHBondContact O-CB 3.34Å; N681-Q684 PolarHBondContact O-N 2.94Å; N681-Q684 PolarHBondContact OD1-N 2.52Å; N681-L685 WeakPolarHBondContact O-CG 3.39Å; N681-L685 PolarHBondContact O-N 2.79Å
682	H	98.7	Very high	98.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-66.9	-26.8	-175.5	-79.3	-77.5	0	0	0	115.2	S572 Y662 E672 K673 Q684 L685 F686	S572-H682 WeakPolarHBondContact CB-O 3.23Å; S572-H682 PolarHBondContact OG-ND1 3.42Å; Y662-H682 WeakPolarHBondContact OH-CB 3.5Å; E672-H682 IonicContact OE2-ND1 2.72Å; K673-H682 VanDerWaalsContact C-NE2 3.31Å; K673-H682 PolarHBondContact O-NE2 2.98Å; H682-Q684 VanDerWaalsContact C-N 3.32Å; H682-L685 PolarHBondContact O-N 3.17Å; H682-F686 PolarHBondContact O-N 3.21Å
683	K	98.8	Very high	98.4	Very high	59 Å²	59	31.2 Å²	31.2	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-63.7	-40.8	170.7	-65	177.5	169	-169.6	0	111.1	Y659 N681 F686 F687 E731 A732	Y659-K683 HydrophobicContact CE2-CB 4.42Å; Y659-K683 HydrophobicContact CE2-CG 4.44Å; Y659-K683 WeakPolarHBondContact OH-CD 3.24Å; N681-K683 VanDerWaalsContact C-N 3.33Å; N681-K683 PolarHBondContact O-N 3.35Å; N681-K683 WeakPolarHBondContact OD1-CB 3.2Å; N681-K683 PolarHBondContact OD1-N 3.34Å; K683-F686 WeakPolarHBondContact O-CB 3.2Å; K683-F686 PolarHBondContact O-N 3.3Å; K683-F687 WeakPolarHBondContact O-CD2 3.19Å; K683-E731 IonicContact NZ-OE1 2.72Å; K683-E731 PolarHBondContact NZ-OE1 2.64Å; K683-E731 IonicContact NZ-OE2 3.48Å; K683-E731 PolarHBondContact NZ-OE2 3.25Å; K683-A732 HydrophobicContact CB-CB 4.11Å
684	Q	98.9	Very high	98.4	Very high	26 Å²	26	27.9 Å²	27.9	12%	0.121	16%	0.161	C	C	.	.	H	α-helix	trans	-68.7	-40.3	175.7	-67.7	169.4	-36.9	0	0	111.4	L680 N681 H682 F686 F687 L688 A732 F733	L680-Q684 HydrophobicContact CB-CB 4.15Å; L680-Q684 HydrophobicContact CD2-CB 4.12Å; N681-Q684 PolarHBondContact ND2-OE1 3.07Å; N681-Q684 WeakPolarHBondContact O-CB 3.34Å; N681-Q684 PolarHBondContact O-N 2.94Å; N681-Q684 PolarHBondContact OD1-N 2.52Å; H682-Q684 VanDerWaalsContact C-N 3.32Å; Q684-F686 VanDerWaalsContact C-N 3.29Å; Q684-F686 PolarHBondContact O-N 3.36Å; Q684-F687 PolarHBondContact O-N 3.23Å; Q684-L688 WeakPolarHBondContact O-CB 3.35Å; Q684-L688 PolarHBondContact O-N 3.29Å; Q684-A732 HydrophobicContact CG-CB 4.23Å; Q684-A732 WeakPolarHBondContact CG-O 3.36Å; Q684-A732 PolarHBondContact NE2-O 3.03Å; Q684-F733 HydrophobicContact CB-CE1 4.12Å; Q684-F733 HydrophobicContact CB-CE2 3.99Å; Q684-F733 HydrophobicContact CB-CZ 3.6Å; Q684-F733 HydrophobicContact CG-CD1 4.4Å; Q684-F733 HydrophobicContact CG-CD2 4.34Å; Q684-F733 HydrophobicContact CG-CE1 4.05Å; Q684-F733 HydrophobicContact CG-CE2 3.98Å; Q684-F733 HydrophobicContact CG-CZ 3.83Å
685	L	98.9	Very high	98.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.8	-32.4	176.7	-65.4	176.3	0	0	0	112.9	L69 L573 L675 L678 L680 N681 H682 L688 N689	L69-L685 HydrophobicContact CD1-CD2 4.11Å; L573-L685 HydrophobicContact CD2-CB 4.21Å; L675-L685 HydrophobicContact CB-CD1 4.24Å; L675-L685 HydrophobicContact CD1-CD1 3.86Å; L675-L685 HydrophobicContact CG-CD1 3.95Å; L678-L685 HydrophobicContact CD1-CD2 4Å; L680-L685 HydrophobicContact CB-CD2 3.89Å; L680-L685 HydrophobicContact CB-CG 4.18Å; L680-L685 HydrophobicContact CD1-CD2 4.09Å; N681-L685 WeakPolarHBondContact O-CG 3.39Å; N681-L685 PolarHBondContact O-N 2.79Å; H682-L685 PolarHBondContact O-N 3.17Å; L685-L688 HydrophobicContact CD2-CD2 4.36Å; L685-L688 PolarHBondContact O-N 3.39Å; L685-N689 WeakPolarHBondContact O-CB 3.45Å; L685-N689 PolarHBondContact O-N 3.38Å
686	F	98.9	Very high	98.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.8	-54.9	172.1	170.4	-83.8	0	0	0	111.2	S572 Y575 G576 I655 A658 Y659 Y662 H682 K683 Q684 L688 N689 F690	S572-F686 WeakPolarHBondContact O-CA 3.33Å; Y575-F686 VanDerWaalsContact C-CE2 3.45Å; G576-F686 VanDerWaalsContact CA-CE2 3.49Å; G576-F686 VanDerWaalsContact N-CD2 3.33Å; G576-F686 VanDerWaalsContact N-CE2 3.33Å; I655-F686 HydrophobicContact CD1-CE1 3.43Å; I655-F686 VanDerWaalsContact CD1-CE1 3.43Å; I655-F686 HydrophobicContact CD1-CZ 3.55Å; I655-F686 HydrophobicContact CG1-CE1 3.98Å; I655-F686 HydrophobicContact CG1-CZ 4.28Å; A658-F686 HydrophobicContact CB-CE2 4.16Å; A658-F686 HydrophobicContact CB-CZ 4.05Å; Y659-F686 AromaticContact CD2-CD1 3.61Å; Y659-F686 HydrophobicContact CD2-CD1 3.61Å; Y659-F686 HydrophobicContact CD2-CD2 4.41Å; Y659-F686 AromaticContact CD2-CE1 3.65Å; Y659-F686 HydrophobicContact CD2-CE1 3.65Å; Y659-F686 HydrophobicContact CD2-CE2 4.42Å; Y659-F686 HydrophobicContact CD2-CG 4.04Å; Y659-F686 HydrophobicContact CD2-CZ 4.08Å; Y659-F686 HydrophobicContact CE2-CD1 4.34Å; Y659-F686 HydrophobicContact CG-CE1 4.16Å; Y659-F686 HydrophobicContact CG-CZ 4.37Å; Y662-F686 HydrophobicContact CD1-CD2 4.47Å; Y662-F686 HydrophobicContact CG-CD2 4.43Å; H682-F686 PolarHBondContact O-N 3.21Å; K683-F686 WeakPolarHBondContact O-CB 3.2Å; K683-F686 PolarHBondContact O-N 3.3Å; Q684-F686 VanDerWaalsContact C-N 3.29Å; Q684-F686 PolarHBondContact O-N 3.36Å; F686-L688 VanDerWaalsContact C-N 3.35Å; F686-L688 PolarHBondContact O-N 2.76Å; F686-N689 PolarHBondContact O-N 2.75Å; F686-F690 PolarHBondContact O-N 2.91Å
687	F	98.9	Very high	98.5	Very high	1 Å²	1	25 Å²	25	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-69.4	-33.5	-179.6	-66.1	-66.6	0	0	0	112.4	F83 I655 Y659 K683 Q684 F690 A691 L723 E728 F729 A732 F733	F83-F687 HydrophobicContact CE1-CB 4.37Å; F83-F687 HydrophobicContact CZ-CB 4.3Å; I655-F687 HydrophobicContact CG1-CE1 4.41Å; Y659-F687 HydrophobicContact CD2-CE2 4.09Å; Y659-F687 AromaticContact CD2-CZ 3.8Å; Y659-F687 HydrophobicContact CD2-CZ 3.8Å; Y659-F687 AromaticContact CE2-CE2 3.75Å; Y659-F687 HydrophobicContact CE2-CE2 3.75Å; Y659-F687 AromaticContact CE2-CZ 3.88Å; Y659-F687 HydrophobicContact CE2-CZ 3.88Å; Y659-F687 HydrophobicContact CG-CZ 4.24Å; K683-F687 WeakPolarHBondContact O-CD2 3.19Å; Q684-F687 PolarHBondContact O-N 3.23Å; F687-F690 PolarHBondContact O-N 3.41Å; F687-A691 WeakPolarHBondContact O-CB 3.36Å; F687-A691 PolarHBondContact O-N 3.21Å; F687-L723 HydrophobicContact CD1-CD2 3.55Å; F687-L723 HydrophobicContact CE1-CD2 4.07Å; F687-L723 HydrophobicContact CG-CD2 4.44Å; F687-E728 HydrophobicContact CZ-CB 4.06Å; F687-F729 HydrophobicContact CB-CD2 3.99Å; F687-F729 HydrophobicContact CD1-CB 4.15Å; F687-F729 HydrophobicContact CD1-CD2 4.15Å; F687-F729 HydrophobicContact CD2-CB 4.38Å; F687-F729 HydrophobicContact CD2-CD2 4.13Å; F687-F729 HydrophobicContact CE1-CB 3.91Å; F687-F729 HydrophobicContact CE2-CB 4.18Å; F687-F729 HydrophobicContact CG-CB 4.38Å; F687-F729 AromaticContact CG-CD2 3.83Å; F687-F729 HydrophobicContact CG-CD2 3.83Å; F687-F729 HydrophobicContact CZ-CB 3.93Å; F687-A732 HydrophobicContact CD2-CB 4.19Å; F687-A732 HydrophobicContact CE2-CB 4.08Å; F687-F733 HydrophobicContact CB-CE2 4.04Å; F687-F733 HydrophobicContact CD2-CE2 4.3Å
688	L	98.9	Very high	98.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-42.8	174.4	-176.4	61.6	0	0	0	111.3	L69 M73 Y86 A87 L680 Q684 L685 F686 A691 Q692	L69-L688 HydrophobicContact CB-CD2 4.33Å; L69-L688 HydrophobicContact CD2-CD2 3.86Å; L69-L688 HydrophobicContact CD2-CG 3.88Å; M73-L688 HydrophobicContact CB-CD1 4.48Å; M73-L688 HydrophobicContact SD-CD2 4.26Å; Y86-L688 HydrophobicContact CD1-CD1 4.38Å; Y86-L688 HydrophobicContact CE1-CD1 4.11Å; A87-L688 HydrophobicContact CB-CD1 3.79Å; L680-L688 HydrophobicContact CD1-CD2 3.71Å; Q684-L688 WeakPolarHBondContact O-CB 3.35Å; Q684-L688 PolarHBondContact O-N 3.29Å; L685-L688 HydrophobicContact CD2-CD2 4.36Å; L685-L688 PolarHBondContact O-N 3.39Å; F686-L688 VanDerWaalsContact C-N 3.35Å; F686-L688 PolarHBondContact O-N 2.76Å; L688-A691 PolarHBondContact O-N 3.43Å; L688-Q692 HydrophobicContact CD1-CG 4.39Å; L688-Q692 WeakPolarHBondContact O-CB 3.35Å; L688-Q692 WeakPolarHBondContact O-CG 3.33Å; L688-Q692 PolarHBondContact O-N 3.33Å
689	N	98.9	Very high	98.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.1	-43.8	177.4	-159.5	60	0	0	0	111.8	R68 P563 L573 L685 F686 A691 Q692 V693	R68-N689 VanDerWaalsContact CZ-OD1 3.27Å; R68-N689 PolarHBondContact NH1-OD1 2.88Å; R68-N689 PolarHBondContact NH2-OD1 2.97Å; P563-N689 PolarHBondContact O-ND2 2.98Å; L573-N689 HydrophobicContact CB-CB 4.34Å; L573-N689 HydrophobicContact CD2-CB 3.7Å; L573-N689 PolarHBondContact O-ND2 3.25Å; L685-N689 WeakPolarHBondContact O-CB 3.45Å; L685-N689 PolarHBondContact O-N 3.38Å; F686-N689 PolarHBondContact O-N 2.75Å; N689-A691 VanDerWaalsContact C-N 3.33Å; N689-A691 PolarHBondContact O-N 3.44Å; N689-Q692 PolarHBondContact O-N 3.4Å; N689-V693 PolarHBondContact O-N 2.88Å
690	F	98.9	Very high	98.8	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-52.7	-51.2	172.2	159.9	-104	0	0	0	111.2	G576 M580 I655 F686 F687 Q692 V693 W694 T722 L723	G576-F690 WeakPolarHBondContact O-CA 3.48Å; G576-F690 WeakPolarHBondContact O-CB 3.29Å; G576-F690 PolarHBondContact O-N 2.86Å; M580-F690 HydrophobicContact CE-CD2 4.29Å; M580-F690 HydrophobicContact CE-CE2 3.65Å; M580-F690 HydrophobicContact CG-CD2 3.88Å; M580-F690 HydrophobicContact CG-CE2 4.11Å; M580-F690 HydrophobicContact SD-CD2 3.94Å; M580-F690 HydrophobicContact SD-CE2 3.9Å; I655-F690 HydrophobicContact CD1-CB 3.79Å; I655-F690 HydrophobicContact CD1-CD1 4.24Å; I655-F690 HydrophobicContact CD1-CD2 3.63Å; I655-F690 HydrophobicContact CD1-CE2 4.29Å; I655-F690 HydrophobicContact CD1-CG 3.59Å; I655-F690 HydrophobicContact CG1-CD2 4.42Å; I655-F690 HydrophobicContact CG1-CG 4.39Å; F686-F690 PolarHBondContact O-N 2.91Å; F687-F690 PolarHBondContact O-N 3.41Å; F690-Q692 VanDerWaalsContact C-N 3.3Å; F690-Q692 PolarHBondContact O-N 3.31Å; F690-V693 WeakPolarHBondContact O-CB 3.4Å; F690-V693 PolarHBondContact O-N 3.38Å; F690-W694 AromaticContact CD2-NE1 3.85Å; F690-W694 AromaticContact CE2-CD1 3.9Å; F690-W694 AromaticContact CE2-NE1 3.36Å; F690-W694 AromaticContact CZ-NE1 3.97Å; F690-T722 HydrophobicContact CE1-CG2 4.36Å; F690-T722 HydrophobicContact CZ-CG2 3.89Å; F690-L723 HydrophobicContact CD1-CD1 4.22Å; F690-L723 HydrophobicContact CD1-CD2 3.92Å; F690-L723 HydrophobicContact CD1-CG 4.24Å; F690-L723 HydrophobicContact CE1-CD1 4.08Å; F690-L723 HydrophobicContact CE1-CD2 3.8Å; F690-L723 HydrophobicContact CE1-CG 3.8Å
691	A	98.9	Very high	98.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-36.8	-179	0	0	0	0	0	112.1	F83 A87 F687 L688 N689 V693 W694 I719	F83-A691 HydrophobicContact CD1-CB 3.75Å; F83-A691 HydrophobicContact CE1-CB 3.56Å; A87-A691 HydrophobicContact CB-CB 3.49Å; A87-A691 VanDerWaalsContact CB-CB 3.49Å; F687-A691 WeakPolarHBondContact O-CB 3.36Å; F687-A691 PolarHBondContact O-N 3.21Å; L688-A691 PolarHBondContact O-N 3.43Å; N689-A691 VanDerWaalsContact C-N 3.33Å; N689-A691 PolarHBondContact O-N 3.44Å; A691-V693 VanDerWaalsContact C-N 3.32Å; A691-V693 PolarHBondContact O-N 2.96Å; A691-W694 PolarHBondContact O-N 3.23Å; A691-W694 VanDerWaalsContact O-N 3.11Å; A691-I719 HydrophobicContact CB-CD1 4.11Å; A691-I719 HydrophobicContact CB-CG1 4.16Å; A691-I719 HydrophobicContact CB-CG2 3.85Å; A691-I719 WeakPolarHBondContact O-CD1 3.43Å
692	Q	98.8	Very high	98.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.1	-26.5	179.5	-74.6	-167.7	11.8	0	0	113.8	L69 N72 A87 N106 L688 N689 F690 W694 C695	L69-Q692 PolarHBondContact O-NE2 3.37Å; N72-Q692 HydrophobicContact CB-CG 4.31Å; N72-Q692 PolarHBondContact ND2-OE1 3.37Å; A87-Q692 HydrophobicContact CB-CG 4.41Å; A87-Q692 WeakPolarHBondContact O-CG 3.47Å; A87-Q692 PolarHBondContact O-NE2 3.42Å; N106-Q692 PolarHBondContact ND2-O 3.46Å; L688-Q692 HydrophobicContact CD1-CG 4.39Å; L688-Q692 WeakPolarHBondContact O-CB 3.35Å; L688-Q692 WeakPolarHBondContact O-CG 3.33Å; L688-Q692 PolarHBondContact O-N 3.33Å; N689-Q692 PolarHBondContact O-N 3.4Å; F690-Q692 VanDerWaalsContact C-N 3.3Å; F690-Q692 PolarHBondContact O-N 3.31Å; Q692-W694 PolarHBondContact O-N 3.15Å; Q692-W694 VanDerWaalsContact O-N 3.16Å; Q692-C695 VanDerWaalsContact CA-SG 3.57Å; Q692-C695 PolarHBondContact O-N 3.15Å; Q692-C695 VanDerWaalsContact O-N 3.16Å
693	V	98.5	Very high	98.8	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.024	10%	0.103	C	C	.	.	H	α-helix	trans	-52.7	-35.8	170	164	0	0	0	0	111.3	F107 P563 F564 N689 F690 A691	F107-V693 HydrophobicContact CD2-CG1 4.38Å; F107-V693 HydrophobicContact CE2-CG1 3.55Å; F107-V693 HydrophobicContact CZ-CG1 4.23Å; P563-V693 HydrophobicContact CG-CG2 4.32Å; F564-V693 HydrophobicContact CD1-CG1 4.25Å; F564-V693 HydrophobicContact CD1-CG2 4.03Å; F564-V693 HydrophobicContact CE1-CB 4.28Å; F564-V693 HydrophobicContact CE1-CG1 3.36Å; F564-V693 HydrophobicContact CE1-CG2 3.92Å; F564-V693 HydrophobicContact CZ-CG1 3.85Å; N689-V693 PolarHBondContact O-N 2.88Å; F690-V693 WeakPolarHBondContact O-CB 3.4Å; F690-V693 PolarHBondContact O-N 3.38Å; A691-V693 VanDerWaalsContact C-N 3.32Å; A691-V693 PolarHBondContact O-N 2.96Å
694	W	98.6	Very high	98.8	Very high	32 Å²	32	18.5 Å²	18.5	12%	0.121	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	10.6	-175.9	-52.2	109.7	0	0	0	114.4	F107 M580 F690 A691 Q692 G696 R718 I719	F107-W694 HydrophobicContact CD2-CE3 4.33Å; F107-W694 HydrophobicContact CD2-CZ3 4.19Å; F107-W694 AromaticContact CE2-CE3 3.8Å; F107-W694 HydrophobicContact CE2-CE3 3.8Å; F107-W694 AromaticContact CE2-CH2 3.89Å; F107-W694 HydrophobicContact CE2-CH2 3.89Å; F107-W694 AromaticContact CE2-CZ3 3.42Å; F107-W694 HydrophobicContact CE2-CZ3 3.42Å; F107-W694 VanDerWaalsContact CE2-CZ3 3.42Å; F107-W694 HydrophobicContact CZ-CH2 4.08Å; F107-W694 AromaticContact CZ-CZ3 3.97Å; F107-W694 HydrophobicContact CZ-CZ3 3.97Å; M580-W694 HydrophobicContact CE-CZ2 4.27Å; M580-W694 HydrophobicContact SD-CZ2 4.42Å; F690-W694 AromaticContact CD2-NE1 3.85Å; F690-W694 AromaticContact CE2-CD1 3.9Å; F690-W694 AromaticContact CE2-NE1 3.36Å; F690-W694 AromaticContact CZ-NE1 3.97Å; A691-W694 PolarHBondContact O-N 3.23Å; A691-W694 VanDerWaalsContact O-N 3.11Å; Q692-W694 PolarHBondContact O-N 3.15Å; Q692-W694 VanDerWaalsContact O-N 3.16Å; W694-G696 PolarHBondContact O-N 3.19Å; W694-G696 VanDerWaalsContact O-N 3.14Å; W694-R718 VanDerWaalsContact CH2-NH1 3.31Å; W694-I719 HydrophobicContact CB-CD1 3.85Å; W694-I719 HydrophobicContact CB-CG1 3.83Å; W694-I719 HydrophobicContact CG-CG1 4.25Å
695	C	98.8	Very high	98.8	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.014	9%	0.091	C	C	.	.			trans	-61.5	120.2	173.1	-68.6	0	0	0	0	110.2	C88 W91 G105 N106 Q692	C88-C695 WeakPolarHBondContact CA-SG 3.49Å; C88-C695 HydrophobicContact CB-CB 3.82Å; C88-C695 WeakPolarHBondContact CB-SG 3.4Å; C88-C695 WeakPolarHBondContact SG-CA 2.98Å; C88-C695 WeakPolarHBondContact SG-CB 3.03Å; C88-C695 CovalentContact SG-SG 2.04Å; C88-C695 PolarHBondContact SG-SG 2.89Å; W91-C695 HydrophobicContact CD2-CB 4.38Å; W91-C695 HydrophobicContact CG-CB 4.31Å; G105-C695 CarbonylContact C-O 3.55Å; G105-C695 WeakPolarHBondContact CA-O 3.24Å; N106-C695 PolarHBondContact N-O 3.36Å; Q692-C695 VanDerWaalsContact CA-SG 3.57Å; Q692-C695 PolarHBondContact O-N 3.15Å; Q692-C695 VanDerWaalsContact O-N 3.16Å
696	G	98.4	Very high	98.7	Very high	14 Å²	14	17.8 Å²	17.8	14%	0.144	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	174.6	178.4	0	0	0	0	0	112.7	Y104 W694	Y104-G696 CarbonylContact O-C 3.6Å; Y104-G696 WeakPolarHBondContact O-CA 3.21Å; W694-G696 PolarHBondContact O-N 3.19Å; W694-G696 VanDerWaalsContact O-N 3.14Å
697	T	98.7	Very high	98.7	Very high	39 Å²	39	18.4 Å²	18.4	24%	0.239	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	166	175.6	-173	0	0	0	0	110.7	W91 L92 I97 R103 Y104	W91-T697 HydrophobicContact CZ3-CG2 4.27Å; L92-T697 HydrophobicContact CD2-CG2 4.48Å; I97-T697 HydrophobicContact CD1-CG2 3.86Å; I97-T697 HydrophobicContact CG1-CG2 3.65Å; R103-T697 CarbonylContact C-O 3.58Å; R103-T697 VanDerWaalsContact CA-O 3.28Å; R103-T697 WeakPolarHBondContact CA-O 3.47Å; R103-T697 WeakPolarHBondContact CB-O 3.44Å; Y104-T697 PolarHBondContact N-O 3.16Å; Y104-T697 PolarHBondContact O-N 3.28Å
698	Y	98.8	Very high	98.6	Very high	34 Å²	34	20.6 Å²	20.6	13%	0.133	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.4	-170.5	-63.7	-111.8	0	0	0	110.5	R103 W631 Y702	R103-Y698 HydrophobicContact CB-CD1 3.69Å; R103-Y698 HydrophobicContact CB-CE1 3.93Å; R103-Y698 HydrophobicContact CB-CG 4.05Å; R103-Y698 HydrophobicContact CG-CE1 4.43Å; W631-Y698 AromaticContact CH2-CD1 3.94Å; W631-Y698 HydrophobicContact CH2-CD1 3.94Å; W631-Y698 HydrophobicContact CH2-CD2 4.3Å; W631-Y698 HydrophobicContact CH2-CE1 4.3Å; W631-Y698 AromaticContact CH2-CG 3.97Å; W631-Y698 HydrophobicContact CH2-CG 3.97Å; W631-Y698 HydrophobicContact CZ2-CD1 4.17Å; W631-Y698 AromaticContact CZ2-CD2 3.72Å; W631-Y698 HydrophobicContact CZ2-CD2 3.72Å; W631-Y698 HydrophobicContact CZ2-CE2 4.24Å; W631-Y698 AromaticContact CZ2-CG 3.72Å; W631-Y698 HydrophobicContact CZ2-CG 3.72Å; Y698-Y702 AromaticContact CD1-CD1 3.68Å; Y698-Y702 HydrophobicContact CD1-CD1 3.68Å; Y698-Y702 AromaticContact CD1-CE1 3.82Å; Y698-Y702 HydrophobicContact CD1-CE1 3.82Å; Y698-Y702 HydrophobicContact CE1-CD1 4.34Å; Y698-Y702 HydrophobicContact CE1-CE1 4Å
699	R	98.8	Very high	98.6	Very high	39 Å²	39	23.6 Å²	23.6	15%	0.147	12%	0.124	C	C	.	.			trans	-72.6	145.3	165.9	-67.3	-172.5	179.4	-92.9	-0.9	109.5	I97 P98 E99 S101 S102 G400 E701 Y702 A703	I97-R699 HydrophobicContact CD1-CG 3.73Å; I97-R699 HydrophobicContact CG2-CG 4.12Å; I97-R699 PolarHBondContact O-NH2 3.01Å; I97-R699 VanDerWaalsContact O-NH2 3.08Å; P98-R699 PolarHBondContact O-NH2 3.35Å; E99-R699 IonicContact OE1-CZ 2.71Å; E99-R699 IonicContact OE1-NH1 3.4Å; E99-R699 IonicContact OE1-NH2 3.4Å; E99-R699 PolarHBondContact OE1-NH2 3.01Å; S101-R699 WeakPolarHBondContact O-CD 3.26Å; S101-R699 PolarHBondContact O-NE 3.23Å; S102-R699 PolarHBondContact O-N 3.42Å; G400-R699 VanDerWaalsContact C-CD 3.48Å; G400-R699 WeakPolarHBondContact O-CD 3.46Å; R699-E701 VanDerWaalsContact C-N 3.3Å; R699-E701 PolarHBondContact O-N 2.88Å; R699-Y702 CarbonylContact O-C 3.13Å; R699-Y702 PolarHBondContact O-N 3Å; R699-A703 PolarHBondContact O-N 3.42Å
700	P	98.7	Very high	98.5	Very high	74 Å²	74	25.4 Å²	25.4	48%	0.481	13%	0.133	S	C	.	.	H	α-helix	trans	-55.2	-41.8	-177.9	-27.3	35.6	0	0	0	114	L633 Y702 A703 V704	L633-P700 WeakPolarHBondContact O-CA 3.45Å; P700-Y702 VanDerWaalsContact C-N 3.29Å; P700-Y702 PolarHBondContact O-N 3.14Å; P700-A703 PolarHBondContact O-N 2.97Å; P700-V704 WeakPolarHBondContact O-CG2 3.28Å; P700-V704 PolarHBondContact O-N 2.87Å
701	E	98.7	Very high	98.5	Very high	69 Å²	69	28.7 Å²	28.7	32%	0.322	15%	0.154	S	C	.	.	H	α-helix	trans	-61.6	-40.3	179.1	-58	86.7	166.5	0	0	111.4	G400 R699 N705	G400-E701 WeakPolarHBondContact CA-OE2 3.43Å; R699-E701 VanDerWaalsContact C-N 3.3Å; R699-E701 PolarHBondContact O-N 2.88Å; E701-N705 PolarHBondContact O-N 3.49Å; E701-N705 VanDerWaalsContact O-N 3.13Å
702	Y	98.8	Very high	98.5	Very high	37 Å²	37	31.5 Å²	31.5	15%	0.145	17%	0.167	C	C	.	.	H	α-helix	trans	-79.9	-26.1	178.4	-173.7	-116.9	0	0	0	113.1	S102 R103 Y399 Y698 R699 P700 N705 S706	S102-Y702 VanDerWaalsContact CB-CG 3.41Å; R103-Y702 HydrophobicContact CB-CD1 4.09Å; R103-Y702 HydrophobicContact CB-CE1 4.02Å; R103-Y702 HydrophobicContact CG-CD1 4.4Å; R103-Y702 HydrophobicContact CG-CE1 3.88Å; R103-Y702 PolarHBondContact NH1-OH 3.01Å; R103-Y702 VanDerWaalsContact NH1-OH 3.16Å; Y399-Y702 AromaticContact CD1-CD2 3.89Å; Y399-Y702 HydrophobicContact CD1-CD2 3.89Å; Y399-Y702 HydrophobicContact CD1-CE2 4.27Å; Y399-Y702 HydrophobicContact CE1-CD2 4.38Å; Y399-Y702 HydrophobicContact CE1-CE2 4.39Å; Y698-Y702 AromaticContact CD1-CD1 3.68Å; Y698-Y702 HydrophobicContact CD1-CD1 3.68Å; Y698-Y702 AromaticContact CD1-CE1 3.82Å; Y698-Y702 HydrophobicContact CD1-CE1 3.82Å; Y698-Y702 HydrophobicContact CE1-CD1 4.34Å; Y698-Y702 HydrophobicContact CE1-CE1 4Å; R699-Y702 CarbonylContact O-C 3.13Å; R699-Y702 PolarHBondContact O-N 3Å; P700-Y702 VanDerWaalsContact C-N 3.29Å; P700-Y702 PolarHBondContact O-N 3.14Å; Y702-N705 HydrophobicContact CD2-CB 4.18Å; Y702-N705 WeakPolarHBondContact O-CB 3.4Å; Y702-N705 PolarHBondContact O-N 3.16Å; Y702-S706 WeakPolarHBondContact O-CB 3.22Å; Y702-S706 PolarHBondContact O-N 3.33Å; Y702-S706 PolarHBondContact O-OG 3.26Å
703	A	98.8	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-43.7	169.5	0	0	0	0	0	111	W631 L633 A634 R699 P700 N705 S706 I707	W631-A703 HydrophobicContact CD2-CB 4.38Å; W631-A703 HydrophobicContact CE3-CB 4.17Å; W631-A703 HydrophobicContact CH2-CB 3.58Å; W631-A703 HydrophobicContact CZ2-CB 3.81Å; W631-A703 HydrophobicContact CZ3-CB 3.77Å; W631-A703 WeakPolarHBondContact CZ3-O 3.28Å; L633-A703 HydrophobicContact CB-CB 3.69Å; A634-A703 HydrophobicContact CB-CB 4.15Å; R699-A703 PolarHBondContact O-N 3.42Å; P700-A703 PolarHBondContact O-N 2.97Å; A703-N705 VanDerWaalsContact C-N 3.26Å; A703-N705 PolarHBondContact O-N 2.98Å; A703-S706 PolarHBondContact O-OG 3.25Å; A703-I707 WeakPolarHBondContact O-CB 3.43Å; A703-I707 WeakPolarHBondContact O-CG2 3.31Å; A703-I707 PolarHBondContact O-N 3.34Å
704	V	98.7	Very high	98.5	Very high	16 Å²	16	31.9 Å²	31.9	10%	0.097	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-35.8	172	170.6	0	0	0	0	112	I237 Y238 P700 I707	I237-V704 HydrophobicContact CB-CG1 4.47Å; I237-V704 HydrophobicContact CD1-CG1 3.81Å; I237-V704 HydrophobicContact CD1-CG2 4.45Å; I237-V704 HydrophobicContact CG1-CG1 4.24Å; Y238-V704 HydrophobicContact CD1-CG1 4.31Å; Y238-V704 HydrophobicContact CE1-CG1 3.8Å; P700-V704 WeakPolarHBondContact O-CG2 3.28Å; P700-V704 PolarHBondContact O-N 2.87Å; V704-I707 WeakPolarHBondContact O-CG2 3.36Å
705	N	98.7	Very high	98.5	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.032	17%	0.166	C	C	.	.	H	α-helix	trans	-69.6	-57.2	176.1	-171.1	-23.1	0	0	0	112	P227 Y231 L398 E701 Y702 A703 I707 K708 T709	P227-N705 VanDerWaalsContact CB-OD1 3.25Å; P227-N705 WeakPolarHBondContact CB-OD1 3.41Å; P227-N705 WeakPolarHBondContact CG-ND2 3.24Å; Y231-N705 VanDerWaalsContact OH-CA 3.23Å; Y231-N705 WeakPolarHBondContact OH-CA 3.48Å; Y231-N705 VanDerWaalsContact OH-CB 3.3Å; Y231-N705 WeakPolarHBondContact OH-CB 3.47Å; L398-N705 PolarHBondContact O-ND2 3.06Å; E701-N705 PolarHBondContact O-N 3.49Å; E701-N705 VanDerWaalsContact O-N 3.13Å; Y702-N705 HydrophobicContact CD2-CB 4.18Å; Y702-N705 WeakPolarHBondContact O-CB 3.4Å; Y702-N705 PolarHBondContact O-N 3.16Å; A703-N705 VanDerWaalsContact C-N 3.26Å; A703-N705 PolarHBondContact O-N 2.98Å; N705-I707 VanDerWaalsContact C-N 3.35Å; N705-I707 PolarHBondContact O-N 3.48Å; N705-K708 PolarHBondContact O-N 3.18Å; N705-T709 PolarHBondContact O-N 3.4Å; N705-T709 VanDerWaalsContact O-N 3.14Å; N705-T709 PolarHBondContact O-OG1 3.39Å; N705-T709 PolarHBondContact OD1-OG1 3.04Å
706	S	98.3	Very high	98.5	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.035	17%	0.171	C	C	.	.	H	α-helix	trans	-64	-35	-174.2	52.4	0	0	0	0	112.9	W631 Y702 A703 K708 T709 D710	W631-S706 WeakPolarHBondContact CH2-OG 3.39Å; Y702-S706 WeakPolarHBondContact O-CB 3.22Å; Y702-S706 PolarHBondContact O-N 3.33Å; Y702-S706 PolarHBondContact O-OG 3.26Å; A703-S706 PolarHBondContact O-OG 3.25Å; S706-K708 PolarHBondContact O-N 2.91Å; S706-T709 PolarHBondContact O-N 2.9Å; S706-D710 VanDerWaalsContact O-CB 3.28Å; S706-D710 WeakPolarHBondContact O-CB 3.4Å; S706-D710 PolarHBondContact O-N 3.39Å
707	I	98.1	Very high	98.5	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.067	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-13.5	176.2	-156.3	178.5	0	0	0	113.5	W631 A634 Q637 H638 L639 A703 V704 N705	W631-I707 HydrophobicContact CB-CD1 4.49Å; W631-I707 HydrophobicContact CE3-CB 4.05Å; W631-I707 HydrophobicContact CE3-CD1 4.12Å; W631-I707 HydrophobicContact CE3-CG1 4.21Å; W631-I707 HydrophobicContact CZ3-CB 4.08Å; A634-I707 HydrophobicContact CB-CD1 3.93Å; A634-I707 HydrophobicContact CB-CG2 4.3Å; Q637-I707 HydrophobicContact CB-CD1 3.76Å; H638-I707 WeakPolarHBondContact O-CD1 3.44Å; L639-I707 HydrophobicContact CD2-CD1 4.02Å; L639-I707 HydrophobicContact CD2-CG1 3.97Å; A703-I707 WeakPolarHBondContact O-CB 3.43Å; A703-I707 WeakPolarHBondContact O-CG2 3.31Å; A703-I707 PolarHBondContact O-N 3.34Å; V704-I707 WeakPolarHBondContact O-CG2 3.36Å; N705-I707 VanDerWaalsContact C-N 3.35Å; N705-I707 PolarHBondContact O-N 3.48Å
708	K	97.5	Very high	98.5	Very high	47 Å²	47	30.4 Å²	30.4	20%	0.204	16%	0.158	C	C	.	.	H	α-helix	trans	-108.8	-22.4	176.6	-62.3	-66.2	177.2	-91.1	0	113.7	D230 Y238 N705 S706	D230-K708 HydrophobicContact CB-CD 4.38Å; Y238-K708 VanDerWaalsContact OH-CE 3.27Å; Y238-K708 WeakPolarHBondContact OH-CE 3.47Å; N705-K708 PolarHBondContact O-N 3.18Å; S706-K708 PolarHBondContact O-N 2.91Å
709	T	97.4	Very high	98.5	Very high	63 Å²	63	28.8 Å²	28.8	39%	0.387	15%	0.152	S	C	.	.	H	α-helix	trans	-120.1	-25.9	-169.2	58.3	0	0	0	0	114.6	P227 N705 S706	P227-T709 HydrophobicContact CB-CG2 3.73Å; P227-T709 VanDerWaalsContact O-CG2 3.3Å; P227-T709 WeakPolarHBondContact O-CG2 3.42Å; N705-T709 PolarHBondContact O-N 3.4Å; N705-T709 VanDerWaalsContact O-N 3.14Å; N705-T709 PolarHBondContact O-OG1 3.39Å; N705-T709 PolarHBondContact OD1-OG1 3.04Å; S706-T709 PolarHBondContact O-N 2.9Å
710	D	97.8	Very high	98.5	Very high	38 Å²	38	27.2 Å²	27.2	20%	0.203	15%	0.146	C	C	.	.			trans	-84.7	132.5	177.1	-155.9	-18.9	0	0	0	109.1	S706 H712	S706-D710 VanDerWaalsContact O-CB 3.28Å; S706-D710 WeakPolarHBondContact O-CB 3.4Å; S706-D710 PolarHBondContact O-N 3.39Å; D710-H712 IonicContact OD1-CE1 3.09Å; D710-H712 IonicContact OD1-CG 2.76Å; D710-H712 PolarHBondContact OD1-N 3.15Å; D710-H712 IonicContact OD1-ND1 2.98Å; D710-H712 PolarHBondContact OD1-ND1 3.13Å
711	V	98	Very high	98.5	Very high	71 Å²	71	23.7 Å²	23.7	43%	0.43	12%	0.123	S	C	.	.	S	Bend	trans	-80	-12.8	173.1	-64.2	0	0	0	0	111.1	T644 E647	T644-V711 WeakPolarHBondContact CA-O 3.49Å; E647-V711 HydrophobicContact CG-CB 4.22Å; E647-V711 HydrophobicContact CG-CG2 3.93Å; E647-V711 WeakPolarHBondContact CG-O 3.37Å
712	H	98.7	Very high	98.5	Very high	59 Å²	59	20.4 Å²	20.4	27%	0.273	11%	0.108	S	C	.	.	S	Bend	trans	-88.1	143.2	175.8	-49.8	86.7	0	0	0	111	E647 D710 R718	E647-H712 HydrophobicContact CG-CB 4.43Å; E647-H712 IonicContact OE1-NE2 3.5Å; E647-H712 IonicContact OE2-CD2 3.3Å; E647-H712 PolarHBondContact OE2-CD2 2.95Å; E647-H712 IonicContact OE2-NE2 2.67Å; E647-H712 PolarHBondContact OE2-NE2 3.48Å; D710-H712 IonicContact OD1-CE1 3.09Å; D710-H712 IonicContact OD1-CG 2.76Å; D710-H712 PolarHBondContact OD1-N 3.15Å; D710-H712 IonicContact OD1-ND1 2.98Å; D710-H712 PolarHBondContact OD1-ND1 3.13Å; H712-R718 PolarHBondContact CD2-NH1 2.92Å
713	S	98.9	Very high	98.5	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.021	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-61.4	149.3	161.8	-71.1	0	0	0	0	110.5	Y626 N648 R718	Y626-S713 VanDerWaalsContact CD1-OG 3.24Å; Y626-S713 WeakPolarHBondContact CD1-OG 3.34Å; N648-S713 WeakPolarHBondContact OD1-CB 3.31Å; N648-S713 PolarHBondContact OD1-OG 2.94Å; S713-R718 VanDerWaalsContact O-CD 3.3Å; S713-R718 WeakPolarHBondContact O-CD 3.25Å; S713-R718 VanDerWaalsContact O-CG 3.28Å; S713-R718 WeakPolarHBondContact O-CG 3.34Å
714	P	98.8	Very high	98.5	Very high	8 Å²	8	19.4 Å²	19.4	5%	0.052	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-55.6	145.9	171.3	-25.9	35.2	0	0	0	111.6	W631 L639 N716 F717 R718	W631-P714 HydrophobicContact CD2-CB 4.33Å; W631-P714 HydrophobicContact CD2-CG 3.71Å; W631-P714 HydrophobicContact CE3-CG 3.56Å; W631-P714 HydrophobicContact CH2-CB 3.94Å; W631-P714 HydrophobicContact CH2-CG 3.56Å; W631-P714 HydrophobicContact CZ2-CB 3.68Å; W631-P714 HydrophobicContact CZ2-CG 3.7Å; W631-P714 HydrophobicContact CZ3-CB 4.36Å; W631-P714 HydrophobicContact CZ3-CG 3.49Å; W631-P714 VanDerWaalsContact CZ3-CG 3.49Å; L639-P714 HydrophobicContact CD2-CG 3.86Å; P714-N716 WeakPolarHBondContact CB-OD1 3.21Å; P714-N716 PolarHBondContact O-N 2.8Å; P714-N716 VanDerWaalsContact O-N 3.07Å; P714-F717 HydrophobicContact CB-CD2 4.09Å; P714-F717 HydrophobicContact CG-CD2 4.08Å; P714-F717 WeakPolarHBondContact O-CA 3.29Å; P714-F717 PolarHBondContact O-N 3.5Å; P714-R718 PolarHBondContact O-N 3.42Å
715	G	98.6	Very high	98.6	Very high	6 Å²	6	19.5 Å²	19.5	6%	0.062	11%	0.105	C	C	.	.	H	α-helix	trans	-51.3	-39.2	-171.7	0	0	0	0	0	114.7	F717 R718 I719	G715-F717 VanDerWaalsContact C-N 3.33Å; G715-F717 PolarHBondContact O-N 3.43Å; G715-R718 PolarHBondContact O-N 2.91Å; G715-I719 WeakPolarHBondContact O-CG1 3.49Å; G715-I719 PolarHBondContact O-N 3.34Å; G715-I719 VanDerWaalsContact O-N 3.1Å
716	N	98.7	Very high	98.6	Very high	22 Å²	22	19.8 Å²	19.8	12%	0.118	11%	0.107	C	C	.	.	H	α-helix	trans	-62	-37.1	175.7	62.2	-62.6	0	0	0	113.1	F84 P714 I719 I720	F84-N716 HydrophobicContact CB-CB 4.46Å; F84-N716 HydrophobicContact CD1-CB 3.55Å; F84-N716 HydrophobicContact CD2-CB 4Å; F84-N716 HydrophobicContact CE1-CB 3.59Å; F84-N716 HydrophobicContact CE2-CB 4.01Å; F84-N716 HydrophobicContact CG-CB 3.74Å; F84-N716 HydrophobicContact CZ-CB 3.81Å; P714-N716 WeakPolarHBondContact CB-OD1 3.21Å; P714-N716 PolarHBondContact O-N 2.8Å; P714-N716 VanDerWaalsContact O-N 3.07Å; N716-I719 PolarHBondContact O-N 3.16Å; N716-I720 WeakPolarHBondContact O-CD1 3.46Å; N716-I720 VanDerWaalsContact O-CG1 3.27Å; N716-I720 WeakPolarHBondContact O-CG1 3.45Å; N716-I720 PolarHBondContact O-N 2.84Å
717	F	98.9	Very high	98.6	Very high	14 Å²	14	22 Å²	22	6%	0.061	13%	0.126	C	C	.	.	H	α-helix	trans	-82.8	-25.4	177.6	-63.5	-57.9	0	0	0	113	F629 S630 W631 L639 P714 G715 I719 I720 G721	F629-F717 HydrophobicContact CB-CD1 3.74Å; F629-F717 HydrophobicContact CB-CD2 4.43Å; F629-F717 HydrophobicContact CB-CE1 3.73Å; F629-F717 HydrophobicContact CB-CE2 4.4Å; F629-F717 HydrophobicContact CB-CG 4.12Å; F629-F717 HydrophobicContact CB-CZ 4.06Å; F629-F717 AromaticContact CD1-CD1 3.87Å; F629-F717 HydrophobicContact CD1-CD1 3.87Å; F629-F717 AromaticContact CD1-CE1 3.98Å; F629-F717 HydrophobicContact CD1-CE1 3.98Å; F629-F717 HydrophobicContact CD2-CB 4.08Å; F629-F717 AromaticContact CD2-CD1 3.82Å; F629-F717 HydrophobicContact CD2-CD1 3.82Å; F629-F717 HydrophobicContact CD2-CG 4.1Å; F629-F717 HydrophobicContact CE1-CD1 4.45Å; F629-F717 HydrophobicContact CE2-CD1 4.41Å; F629-F717 AromaticContact CG-CD1 3.54Å; F629-F717 HydrophobicContact CG-CD1 3.54Å; F629-F717 AromaticContact CG-CE1 3.87Å; F629-F717 HydrophobicContact CG-CE1 3.87Å; F629-F717 HydrophobicContact CG-CG 4.14Å; S630-F717 WeakPolarHBondContact O-CZ 3.49Å; W631-F717 HydrophobicContact CB-CE2 3.88Å; W631-F717 AromaticContact CD1-CE2 3.77Å; W631-F717 AromaticContact CG-CE2 3.85Å; W631-F717 HydrophobicContact CG-CE2 3.85Å; L639-F717 HydrophobicContact CD1-CB 3.98Å; L639-F717 HydrophobicContact CD1-CD2 3.76Å; L639-F717 HydrophobicContact CD1-CG 4.01Å; L639-F717 HydrophobicContact CD2-CD2 4.22Å; L639-F717 HydrophobicContact CD2-CE2 4.43Å; L639-F717 HydrophobicContact CG-CD2 4.31Å; P714-F717 HydrophobicContact CB-CD2 4.09Å; P714-F717 HydrophobicContact CG-CD2 4.08Å; P714-F717 WeakPolarHBondContact O-CA 3.29Å; P714-F717 PolarHBondContact O-N 3.5Å; G715-F717 VanDerWaalsContact C-N 3.33Å; G715-F717 PolarHBondContact O-N 3.43Å; F717-I719 VanDerWaalsContact C-N 3.27Å; F717-I719 PolarHBondContact O-N 3.17Å; F717-I720 HydrophobicContact CD1-CD1 4.47Å; F717-I720 PolarHBondContact O-N 3.04Å; F717-G721 PolarHBondContact O-N 3.21Å
718	R	98.9	Very high	98.6	Very high	14 Å²	14	25 Å²	25	5%	0.053	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-38.4	165.7	-63.2	-175.6	81.1	156.6	4	111	H584 E647 D651 W694 H712 S713 P714 G715 T722	H584-R718 PolarHBondContact CE1-NH2 3.3Å; E647-R718 IonicContact OE2-NH2 3.38Å; D651-R718 IonicContact OD1-CZ 2.63Å; D651-R718 IonicContact OD1-NE 2.88Å; D651-R718 PolarHBondContact OD1-NE 2.84Å; D651-R718 IonicContact OD1-NH2 2.8Å; D651-R718 PolarHBondContact OD1-NH2 2.95Å; D651-R718 WeakPolarHBondContact OD2-CB 3.46Å; D651-R718 WeakPolarHBondContact OD2-CG 3.47Å; D651-R718 IonicContact OD2-CZ 3.86Å; D651-R718 IonicContact OD2-NE 3.63Å; D651-R718 PolarHBondContact OD2-NE 2.96Å; D651-R718 IonicContact OD2-NH2 2.87Å; D651-R718 PolarHBondContact OD2-NH2 3.04Å; W694-R718 VanDerWaalsContact CH2-NH1 3.31Å; H712-R718 PolarHBondContact CD2-NH1 2.92Å; S713-R718 VanDerWaalsContact O-CD 3.3Å; S713-R718 WeakPolarHBondContact O-CD 3.25Å; S713-R718 VanDerWaalsContact O-CG 3.28Å; S713-R718 WeakPolarHBondContact O-CG 3.34Å; P714-R718 PolarHBondContact O-N 3.42Å; G715-R718 PolarHBondContact O-N 2.91Å; R718-T722 WeakPolarHBondContact O-CB 3.46Å; R718-T722 PolarHBondContact O-OG1 3.37Å
719	I	98.9	Very high	98.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.8	-57.1	172.6	-60.4	164.6	0	0	0	110.6	F83 F84 A691 W694 G715 N716 F717 L723	F83-I719 HydrophobicContact CD1-CG2 4.05Å; F84-I719 HydrophobicContact CB-CD1 4.2Å; F84-I719 HydrophobicContact CD2-CD1 3.49Å; F84-I719 VanDerWaalsContact CD2-CD1 3.49Å; F84-I719 HydrophobicContact CE2-CD1 4.3Å; F84-I719 HydrophobicContact CG-CD1 4.28Å; A691-I719 HydrophobicContact CB-CD1 4.11Å; A691-I719 HydrophobicContact CB-CG1 4.16Å; A691-I719 HydrophobicContact CB-CG2 3.85Å; A691-I719 WeakPolarHBondContact O-CD1 3.43Å; W694-I719 HydrophobicContact CB-CD1 3.85Å; W694-I719 HydrophobicContact CB-CG1 3.83Å; W694-I719 HydrophobicContact CG-CG1 4.25Å; G715-I719 WeakPolarHBondContact O-CG1 3.49Å; G715-I719 PolarHBondContact O-N 3.34Å; G715-I719 VanDerWaalsContact O-N 3.1Å; N716-I719 PolarHBondContact O-N 3.16Å; F717-I719 VanDerWaalsContact C-N 3.27Å; F717-I719 PolarHBondContact O-N 3.17Å; I719-L723 HydrophobicContact CG2-CD1 3.8Å; I719-L723 WeakPolarHBondContact O-CB 3.21Å; I719-L723 VanDerWaalsContact O-CG 3.27Å; I719-L723 WeakPolarHBondContact O-CG 3.34Å; I719-L723 PolarHBondContact O-N 3.5Å
720	I	98.9	Very high	98.8	Very high	6 Å²	6	20.1 Å²	20.1	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-52.9	-169.9	-69.1	164.1	0	0	0	111.3	F84 F629 N716 F717 T722 L723 Q724 Y740 M741	F84-I720 HydrophobicContact CB-CD1 4.36Å; F84-I720 HydrophobicContact CB-CG1 4.4Å; F629-I720 HydrophobicContact CE1-CG2 4.12Å; F629-I720 HydrophobicContact CZ-CG2 4.1Å; N716-I720 WeakPolarHBondContact O-CD1 3.46Å; N716-I720 VanDerWaalsContact O-CG1 3.27Å; N716-I720 WeakPolarHBondContact O-CG1 3.45Å; N716-I720 PolarHBondContact O-N 2.84Å; F717-I720 HydrophobicContact CD1-CD1 4.47Å; F717-I720 PolarHBondContact O-N 3.04Å; I720-T722 VanDerWaalsContact C-N 3.33Å; I720-T722 PolarHBondContact O-N 2.92Å; I720-L723 PolarHBondContact O-N 2.76Å; I720-Q724 HydrophobicContact CG2-CG 4.23Å; I720-Q724 VanDerWaalsContact O-CB 3.29Å; I720-Q724 WeakPolarHBondContact O-CB 3.28Å; I720-Q724 WeakPolarHBondContact O-CG 3.43Å; I720-Q724 PolarHBondContact O-N 3.38Å; I720-Y740 HydrophobicContact CD1-CE1 4.32Å; I720-Y740 HydrophobicContact CG1-CE1 4.48Å; I720-Y740 HydrophobicContact CG2-CE1 3.59Å; I720-M741 HydrophobicContact CG1-SD 4.28Å; I720-M741 HydrophobicContact CG2-SD 4.23Å
721	G	98.9	Very high	98.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-42.5	-175.8	0	0	0	0	0	112.3	Q625 F717 N725	Q625-G721 PolarHBondContact NE2-O 3.37Å; Q625-G721 VanDerWaalsContact NE2-O 3.13Å; F717-G721 PolarHBondContact O-N 3.21Å; G721-N725 PolarHBondContact O-N 2.78Å; G721-N725 PolarHBondContact O-ND2 3.21Å; G721-N725 VanDerWaalsContact O-ND2 3.15Å
722	T	98.9	Very high	98.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-47.9	179	-59.2	0	0	0	0	112.1	Y626 I655 F690 R718 I720 N725 S726	Y626-T722 PolarHBondContact OH-N 3.15Å; Y626-T722 PolarHBondContact OH-OG1 3.29Å; I655-T722 HydrophobicContact CB-CG2 4.06Å; I655-T722 HydrophobicContact CG2-CG2 3.35Å; F690-T722 HydrophobicContact CE1-CG2 4.36Å; F690-T722 HydrophobicContact CZ-CG2 3.89Å; R718-T722 WeakPolarHBondContact O-CB 3.46Å; R718-T722 PolarHBondContact O-OG1 3.37Å; I720-T722 VanDerWaalsContact C-N 3.33Å; I720-T722 PolarHBondContact O-N 2.92Å; T722-N725 PolarHBondContact O-N 2.82Å; T722-S726 PolarHBondContact O-N 2.92Å
723	L	98.9	Very high	98.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-76	-26.1	-177.7	-61.6	-178.8	0	0	0	113.1	F83 F687 F690 I719 I720 N725 S726 F729 M741	F83-L723 HydrophobicContact CB-CD1 4.28Å; F83-L723 HydrophobicContact CD1-CD1 3.22Å; F83-L723 HydrophobicContact CE1-CD1 3.71Å; F83-L723 HydrophobicContact CG-CD1 3.92Å; F687-L723 HydrophobicContact CD1-CD2 3.55Å; F687-L723 HydrophobicContact CE1-CD2 4.07Å; F687-L723 HydrophobicContact CG-CD2 4.44Å; F690-L723 HydrophobicContact CD1-CD1 4.22Å; F690-L723 HydrophobicContact CD1-CD2 3.92Å; F690-L723 HydrophobicContact CD1-CG 4.24Å; F690-L723 HydrophobicContact CE1-CD1 4.08Å; F690-L723 HydrophobicContact CE1-CD2 3.8Å; F690-L723 HydrophobicContact CE1-CG 3.8Å; I719-L723 HydrophobicContact CG2-CD1 3.8Å; I719-L723 WeakPolarHBondContact O-CB 3.21Å; I719-L723 VanDerWaalsContact O-CG 3.27Å; I719-L723 WeakPolarHBondContact O-CG 3.34Å; I719-L723 PolarHBondContact O-N 3.5Å; I720-L723 PolarHBondContact O-N 2.76Å; L723-N725 PolarHBondContact O-N 3.15Å; L723-S726 PolarHBondContact O-N 3.15Å; L723-F729 HydrophobicContact CB-CD1 3.95Å; L723-F729 HydrophobicContact CB-CD2 4.27Å; L723-F729 HydrophobicContact CB-CE1 4.3Å; L723-F729 HydrophobicContact CB-CG 3.95Å; L723-F729 HydrophobicContact CD1-CD2 3.97Å; L723-F729 HydrophobicContact CD1-CE2 3.92Å; L723-F729 HydrophobicContact CD1-CG 4.49Å; L723-F729 HydrophobicContact CD1-CZ 4.42Å; L723-F729 HydrophobicContact CD2-CB 4.18Å; L723-F729 HydrophobicContact CD2-CD2 4.04Å; L723-F729 HydrophobicContact CD2-CG 4.11Å; L723-F729 HydrophobicContact CG-CD2 4.31Å; L723-F729 HydrophobicContact CG-CG 4.4Å; L723-M741 HydrophobicContact CB-CE 3.69Å
724	Q	98.9	Very high	98.8	Very high	16 Å²	16	24.6 Å²	24.6	8%	0.075	13%	0.129	C	C	.	.	H	α-helix	trans	-58.2	-35.4	168	-83.3	179.8	-18.2	0	0	111.9	I720 Y740 P743 K746	I720-Q724 HydrophobicContact CG2-CG 4.23Å; I720-Q724 VanDerWaalsContact O-CB 3.29Å; I720-Q724 WeakPolarHBondContact O-CB 3.28Å; I720-Q724 WeakPolarHBondContact O-CG 3.43Å; I720-Q724 PolarHBondContact O-N 3.38Å; Q724-Y740 WeakPolarHBondContact CG-O 3.46Å; Q724-Y740 PolarHBondContact NE2-O 3.3Å; Q724-P743 HydrophobicContact CB-CG 3.9Å; Q724-P743 HydrophobicContact CG-CG 4.15Å; Q724-K746 PolarHBondContact O-NZ 3.45Å
725	N	98.9	Very high	98.8	Very high	18 Å²	18	24.8 Å²	24.8	10%	0.096	13%	0.13	C	C	.	.	H	α-helix	trans	-85.3	-15.4	-179.8	-68.4	-30.3	0	0	0	114	Q625 N652 G721 T722 L723 C747	Q625-N725 PolarHBondContact NE2-ND2 3.24Å; Q625-N725 PolarHBondContact NE2-OD1 3.1Å; Q625-N725 PolarHBondContact OE1-ND2 2.88Å; Q625-N725 PolarHBondContact OE1-OD1 3.07Å; N652-N725 VanDerWaalsContact OD1-CB 3.31Å; N652-N725 WeakPolarHBondContact OD1-CB 3.38Å; N652-N725 PolarHBondContact OD1-ND2 2.95Å; G721-N725 PolarHBondContact O-N 2.78Å; G721-N725 PolarHBondContact O-ND2 3.21Å; G721-N725 VanDerWaalsContact O-ND2 3.15Å; T722-N725 PolarHBondContact O-N 2.82Å; L723-N725 PolarHBondContact O-N 3.15Å; N725-C747 WeakPolarHBondContact CB-O 3.11Å; N725-C747 PolarHBondContact OD1-N 3.41Å
726	S	98.8	Very high	98.8	Very high	11 Å²	11	34.8 Å²	34.8	8%	0.077	17%	0.166	C	C	.	.			trans	-84.1	121	177.1	176.9	0	0	0	0	111.5	T722 L723 E728 F729 S730 K746	T722-S726 PolarHBondContact O-N 2.92Å; L723-S726 PolarHBondContact O-N 3.15Å; S726-E728 VanDerWaalsContact C-N 3.33Å; S726-E728 PolarHBondContact OG-N 3Å; S726-E728 PolarHBondContact OG-OE2 2.92Å; S726-F729 PolarHBondContact OG-N 2.04Å; S726-S730 PolarHBondContact O-OG 3.12Å; S726-K746 PolarHBondContact O-NZ 3.03Å
727	A	98.8	Very high	98.8	Very high	52 Å²	52	42.9 Å²	42.9	43%	0.43	20%	0.2	S	C	.	.	H	α-helix	trans	-72.9	-33.6	171	0	0	0	0	0	110.8	S730 E731	A727-S730 WeakPolarHBondContact O-CB 3.09Å; A727-S730 PolarHBondContact O-N 3.16Å; A727-E731 PolarHBondContact O-N 3.37Å
728	E	98.8	Very high	98.7	Very high	75 Å²	75	47.1 Å²	47.1	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-67.5	-37.9	-178.9	-58.8	72	-155.6	0	0	111.7	Y659 F687 S726 E731 A732	Y659-E728 HydrophobicContact CD1-CB 3.79Å; Y659-E728 HydrophobicContact CD1-CG 3.71Å; Y659-E728 HydrophobicContact CE1-CB 3.4Å; Y659-E728 HydrophobicContact CE1-CG 3.47Å; Y659-E728 VanDerWaalsContact CE1-CG 3.47Å; F687-E728 HydrophobicContact CZ-CB 4.06Å; S726-E728 VanDerWaalsContact C-N 3.33Å; S726-E728 PolarHBondContact OG-N 3Å; S726-E728 PolarHBondContact OG-OE2 2.92Å; E728-E731 WeakPolarHBondContact O-CB 3.06Å; E728-E731 PolarHBondContact O-N 3.35Å; E728-A732 WeakPolarHBondContact O-CB 3.19Å; E728-A732 PolarHBondContact O-N 2.87Å
729	F	98.9	Very high	98.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.6	-48.8	169.5	167.9	-99.5	0	0	0	111.3	F83 F687 L723 S726 E731 A732 F733 M741	F83-F729 HydrophobicContact CB-CZ 4.09Å; F83-F729 HydrophobicContact CD1-CE2 4.05Å; F83-F729 HydrophobicContact CD1-CZ 4.45Å; F83-F729 AromaticContact CD2-CE2 3.5Å; F83-F729 HydrophobicContact CD2-CE2 3.5Å; F83-F729 VanDerWaalsContact CD2-CE2 3.5Å; F83-F729 AromaticContact CD2-CZ 3.5Å; F83-F729 HydrophobicContact CD2-CZ 3.5Å; F83-F729 HydrophobicContact CE1-CE2 4.05Å; F83-F729 AromaticContact CE2-CE2 3.53Å; F83-F729 HydrophobicContact CE2-CE2 3.53Å; F83-F729 AromaticContact CE2-CZ 3.99Å; F83-F729 HydrophobicContact CE2-CZ 3.99Å; F83-F729 AromaticContact CG-CE2 3.76Å; F83-F729 HydrophobicContact CG-CE2 3.76Å; F83-F729 AromaticContact CG-CZ 3.76Å; F83-F729 HydrophobicContact CG-CZ 3.76Å; F83-F729 AromaticContact CZ-CE2 3.8Å; F83-F729 HydrophobicContact CZ-CE2 3.8Å; F687-F729 HydrophobicContact CB-CD2 3.99Å; F687-F729 HydrophobicContact CD1-CB 4.15Å; F687-F729 HydrophobicContact CD1-CD2 4.15Å; F687-F729 HydrophobicContact CD2-CB 4.38Å; F687-F729 HydrophobicContact CD2-CD2 4.13Å; F687-F729 HydrophobicContact CE1-CB 3.91Å; F687-F729 HydrophobicContact CE2-CB 4.18Å; F687-F729 HydrophobicContact CG-CB 4.38Å; F687-F729 AromaticContact CG-CD2 3.83Å; F687-F729 HydrophobicContact CG-CD2 3.83Å; F687-F729 HydrophobicContact CZ-CB 3.93Å; L723-F729 HydrophobicContact CB-CD1 3.95Å; L723-F729 HydrophobicContact CB-CD2 4.27Å; L723-F729 HydrophobicContact CB-CE1 4.3Å; L723-F729 HydrophobicContact CB-CG 3.95Å; L723-F729 HydrophobicContact CD1-CD2 3.97Å; L723-F729 HydrophobicContact CD1-CE2 3.92Å; L723-F729 HydrophobicContact CD1-CG 4.49Å; L723-F729 HydrophobicContact CD1-CZ 4.42Å; L723-F729 HydrophobicContact CD2-CB 4.18Å; L723-F729 HydrophobicContact CD2-CD2 4.04Å; L723-F729 HydrophobicContact CD2-CG 4.11Å; L723-F729 HydrophobicContact CG-CD2 4.31Å; L723-F729 HydrophobicContact CG-CG 4.4Å; S726-F729 PolarHBondContact OG-N 2.04Å; F729-E731 VanDerWaalsContact C-N 3.26Å; F729-E731 PolarHBondContact O-N 2.9Å; F729-A732 PolarHBondContact O-N 3.19Å; F729-F733 AromaticContact CD2-CD2 3.69Å; F729-F733 HydrophobicContact CD2-CD2 3.69Å; F729-F733 HydrophobicContact CD2-CE2 4.02Å; F729-F733 AromaticContact CE2-CD2 3.4Å; F729-F733 HydrophobicContact CE2-CD2 3.4Å; F729-F733 VanDerWaalsContact CE2-CD2 3.4Å; F729-F733 AromaticContact CE2-CE2 3.73Å; F729-F733 HydrophobicContact CE2-CE2 3.73Å; F729-F733 HydrophobicContact CE2-CG 4.11Å; F729-F733 HydrophobicContact CZ-CD2 4.12Å; F729-F733 HydrophobicContact CZ-CG 4.42Å; F729-F733 PolarHBondContact O-N 3.35Å; F729-M741 HydrophobicContact CE1-CB 3.84Å; F729-M741 HydrophobicContact CE1-CE 4.24Å; F729-M741 HydrophobicContact CZ-CE 4.47Å
730	S	98.9	Very high	98.6	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.063	25%	0.25	C	C	.	.	H	α-helix	trans	-65.2	-31.3	179.9	-63.8	0	0	0	0	112.2	S726 A727 H734 C735 N742	S726-S730 PolarHBondContact O-OG 3.12Å; A727-S730 WeakPolarHBondContact O-CB 3.09Å; A727-S730 PolarHBondContact O-N 3.16Å; S730-H734 CarbonylContact O-C 3.52Å; S730-H734 WeakPolarHBondContact O-CA 3.44Å; S730-H734 PolarHBondContact O-N 3.49Å; S730-C735 PolarHBondContact O-N 3.25Å; S730-N742 WeakPolarHBondContact OG-CB 3.49Å; S730-N742 PolarHBondContact OG-OD1 3.24Å
731	E	98.8	Very high	98.6	Very high	94 Å²	94	52.5 Å²	52.5	44%	0.439	25%	0.248	S	C	.	.	H	α-helix	trans	-65.2	-54.5	170.4	-176.2	-105.5	139	0	0	111	K683 A727 E728 F729 F733 H734	K683-E731 IonicContact NZ-OE1 2.72Å; K683-E731 PolarHBondContact NZ-OE1 2.64Å; K683-E731 IonicContact NZ-OE2 3.48Å; K683-E731 PolarHBondContact NZ-OE2 3.25Å; A727-E731 PolarHBondContact O-N 3.37Å; E728-E731 WeakPolarHBondContact O-CB 3.06Å; E728-E731 PolarHBondContact O-N 3.35Å; F729-E731 VanDerWaalsContact C-N 3.26Å; F729-E731 PolarHBondContact O-N 2.9Å; E731-F733 VanDerWaalsContact C-N 3.27Å; E731-F733 PolarHBondContact O-N 2.91Å; E731-H734 PolarHBondContact O-N 3Å; E731-H734 VanDerWaalsContact O-N 3.12Å
732	A	98.8	Very high	98.6	Very high	2 Å²	2	53.5 Å²	53.5	2%	0.017	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-34.7	-176.1	0	0	0	0	0	113.2	K683 Q684 F687 E728 F729	K683-A732 HydrophobicContact CB-CB 4.11Å; Q684-A732 HydrophobicContact CG-CB 4.23Å; Q684-A732 WeakPolarHBondContact CG-O 3.36Å; Q684-A732 PolarHBondContact NE2-O 3.03Å; F687-A732 HydrophobicContact CD2-CB 4.19Å; F687-A732 HydrophobicContact CE2-CB 4.08Å; E728-A732 WeakPolarHBondContact O-CB 3.19Å; E728-A732 PolarHBondContact O-N 2.87Å; F729-A732 PolarHBondContact O-N 3.19Å
733	F	98.8	Very high	98.6	Very high	17 Å²	17	55 Å²	55	8%	0.075	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	5.1	178.6	-72.9	-88	0	0	0	114.1	P79 F83 Y86 L680 Q684 F687 F729 E731 C735	P79-F733 HydrophobicContact CB-CD1 3.75Å; P79-F733 HydrophobicContact CB-CE1 4.17Å; P79-F733 HydrophobicContact CB-CG 4.42Å; P79-F733 HydrophobicContact CG-CD1 3.83Å; P79-F733 HydrophobicContact CG-CE1 4.45Å; F83-F733 HydrophobicContact CE2-CD1 4.22Å; F83-F733 HydrophobicContact CE2-CD2 4.27Å; F83-F733 AromaticContact CE2-CE1 3.74Å; F83-F733 HydrophobicContact CE2-CE1 3.74Å; F83-F733 AromaticContact CE2-CE2 3.79Å; F83-F733 HydrophobicContact CE2-CE2 3.79Å; F83-F733 HydrophobicContact CE2-CG 4.46Å; F83-F733 AromaticContact CE2-CZ 3.5Å; F83-F733 HydrophobicContact CE2-CZ 3.5Å; F83-F733 VanDerWaalsContact CE2-CZ 3.5Å; F83-F733 HydrophobicContact CZ-CE1 4.32Å; F83-F733 AromaticContact CZ-CE2 3.85Å; F83-F733 HydrophobicContact CZ-CE2 3.85Å; F83-F733 AromaticContact CZ-CZ 3.64Å; F83-F733 HydrophobicContact CZ-CZ 3.64Å; Y86-F733 HydrophobicContact CE1-CE1 4.09Å; L680-F733 HydrophobicContact CD2-CE1 4.47Å; Q684-F733 HydrophobicContact CB-CE1 4.12Å; Q684-F733 HydrophobicContact CB-CE2 3.99Å; Q684-F733 HydrophobicContact CB-CZ 3.6Å; Q684-F733 HydrophobicContact CG-CD1 4.4Å; Q684-F733 HydrophobicContact CG-CD2 4.34Å; Q684-F733 HydrophobicContact CG-CE1 4.05Å; Q684-F733 HydrophobicContact CG-CE2 3.98Å; Q684-F733 HydrophobicContact CG-CZ 3.83Å; F687-F733 HydrophobicContact CB-CE2 4.04Å; F687-F733 HydrophobicContact CD2-CE2 4.3Å; F729-F733 AromaticContact CD2-CD2 3.69Å; F729-F733 HydrophobicContact CD2-CD2 3.69Å; F729-F733 HydrophobicContact CD2-CE2 4.02Å; F729-F733 AromaticContact CE2-CD2 3.4Å; F729-F733 HydrophobicContact CE2-CD2 3.4Å; F729-F733 VanDerWaalsContact CE2-CD2 3.4Å; F729-F733 AromaticContact CE2-CE2 3.73Å; F729-F733 HydrophobicContact CE2-CE2 3.73Å; F729-F733 HydrophobicContact CE2-CG 4.11Å; F729-F733 HydrophobicContact CZ-CD2 4.12Å; F729-F733 HydrophobicContact CZ-CG 4.42Å; F729-F733 PolarHBondContact O-N 3.35Å; E731-F733 VanDerWaalsContact C-N 3.27Å; E731-F733 PolarHBondContact O-N 2.91Å; F733-C735 VanDerWaalsContact C-N 3.27Å; F733-C735 PolarHBondContact O-N 3.04Å
734	H	98.6	Very high	98.6	Very high	151 Å²	151	62.9 Å²	62.9	70%	0.699	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	40.8	178.5	-54.3	84.1	0	0	0	113.7	S730 E731 R736	S730-H734 CarbonylContact O-C 3.52Å; S730-H734 WeakPolarHBondContact O-CA 3.44Å; S730-H734 PolarHBondContact O-N 3.49Å; E731-H734 PolarHBondContact O-N 3Å; E731-H734 VanDerWaalsContact O-N 3.12Å; H734-R736 PolarHBondContact O-N 2.91Å
735	C	98.7	Very high	98.5	Very high	12 Å²	12	69.3 Å²	69.3	8%	0.081	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-68.7	128.9	-176.2	-62.8	0	0	0	0	112.2	C80 S730 F733 N742	C80-C735 VanDerWaalsContact CA-SG 3.59Å; C80-C735 HydrophobicContact CB-CB 3.69Å; C80-C735 WeakPolarHBondContact CB-SG 3.47Å; C80-C735 WeakPolarHBondContact SG-CA 3.3Å; C80-C735 WeakPolarHBondContact SG-CB 3.32Å; C80-C735 CovalentContact SG-SG 2.04Å; C80-C735 PolarHBondContact SG-SG 3.48Å; S730-C735 PolarHBondContact O-N 3.25Å; F733-C735 VanDerWaalsContact C-N 3.27Å; F733-C735 PolarHBondContact O-N 3.04Å; C735-N742 HydrophobicContact CB-CB 3.79Å; C735-N742 PolarHBondContact O-ND2 2.86Å
736	R	98.3	Very high	98.5	Very high	216 Å²	216	71.4 Å²	71.4	82%	0.815	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-60.2	145.7	175.7	-63.4	-176.9	-174.7	179.3	2.8	110.4	H734 N738 S739 N742	H734-R736 PolarHBondContact O-N 2.91Å; R736-N738 PolarHBondContact O-N 2.78Å; R736-S739 WeakPolarHBondContact O-CB 3.31Å; R736-S739 PolarHBondContact O-N 3.15Å; R736-S739 VanDerWaalsContact O-N 3.09Å; R736-S739 PolarHBondContact O-OG 2.04Å; R736-N742 PolarHBondContact O-ND2 3.14Å
737	K	97.6	Very high	98.5	Very high	192 Å²	192	71.3 Å²	71.3	84%	0.835	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	134.7	173.7	-65.8	-173.9	177.2	-173.1	0	110	S739	K737-S739 PolarHBondContact O-N 2.84Å
738	N	97.4	Very high	98.5	Very high	104 Å²	104	74 Å²	74	56%	0.556	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	19.6	-179.1	-61.4	-38.8	0	0	0	115	R736 N742 E744	R736-N738 PolarHBondContact O-N 2.78Å; N738-N742 VanDerWaalsContact CA-O 3.28Å; N738-N742 WeakPolarHBondContact CA-O 3.42Å; N738-N742 PolarHBondContact N-O 3.48Å; N738-E744 VanDerWaalsContact OD1-CB 3.32Å; N738-E744 WeakPolarHBondContact OD1-CB 3.46Å; N738-E744 PolarHBondContact OD1-N 2.95Å
739	S	98.3	Very high	98.5	Very high	26 Å²	26	70.5 Å²	70.5	18%	0.182	32%	0.318	C	S	.	.	S	Bend	trans	-64.3	160.8	157.7	78.3	0	0	0	0	109.5	C80 R736 K737 M741 N742	C80-S739 WeakPolarHBondContact O-CB 3.44Å; C80-S739 PolarHBondContact O-OG 3.2Å; C80-S739 VanDerWaalsContact O-OG 3.1Å; R736-S739 WeakPolarHBondContact O-CB 3.31Å; R736-S739 PolarHBondContact O-N 3.15Å; R736-S739 VanDerWaalsContact O-N 3.09Å; R736-S739 PolarHBondContact O-OG 2.04Å; K737-S739 PolarHBondContact O-N 2.84Å; S739-M741 PolarHBondContact O-N 2.88Å; S739-N742 CarbonylContact O-C 3.26Å; S739-N742 VanDerWaalsContact O-C 3.26Å; S739-N742 PolarHBondContact O-N 3.19Å; S739-N742 PolarHBondContact OG-N 3.21Å
740	Y	98.6	Very high	98.5	Very high	107 Å²	107	71 Å²	71	42%	0.42	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.2	-177.6	178.8	-102.4	0	0	0	112.7	A81 I720 Q724 N742	A81-Y740 WeakPolarHBondContact O-CB 3.42Å; A81-Y740 WeakPolarHBondContact O-CD1 3.05Å; I720-Y740 HydrophobicContact CD1-CE1 4.32Å; I720-Y740 HydrophobicContact CG1-CE1 4.48Å; I720-Y740 HydrophobicContact CG2-CE1 3.59Å; Q724-Y740 WeakPolarHBondContact CG-O 3.46Å; Q724-Y740 PolarHBondContact NE2-O 3.3Å; Y740-N742 VanDerWaalsContact C-N 3.35Å
741	M	98.8	Very high	98.5	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.3	176.8	-59.7	-60.9	-54	0	0	114.3	P79 C80 F83 I720 L723 F729 S739	P79-M741 WeakPolarHBondContact O-CG 3.48Å; C80-M741 WeakPolarHBondContact O-CB 3.03Å; C80-M741 WeakPolarHBondContact O-CG 3.21Å; C80-M741 PolarHBondContact O-N 3.41Å; F83-M741 HydrophobicContact CB-CE 3.66Å; F83-M741 HydrophobicContact CB-CG 4.35Å; F83-M741 HydrophobicContact CB-SD 4.14Å; I720-M741 HydrophobicContact CG1-SD 4.28Å; I720-M741 HydrophobicContact CG2-SD 4.23Å; L723-M741 HydrophobicContact CB-CE 3.69Å; F729-M741 HydrophobicContact CE1-CB 3.84Å; F729-M741 HydrophobicContact CE1-CE 4.24Å; F729-M741 HydrophobicContact CZ-CE 4.47Å; S739-M741 PolarHBondContact O-N 2.88Å
742	N	98.8	Very high	98.4	Very high	20 Å²	20	73.1 Å²	73.1	11%	0.107	33%	0.327	C	S	.	.	S	Bend	trans	-134.8	63.3	178.3	-170.4	18.9	0	0	0	112.1	S730 C735 R736 N738 S739 Y740 K746	S730-N742 WeakPolarHBondContact OG-CB 3.49Å; S730-N742 PolarHBondContact OG-OD1 3.24Å; C735-N742 HydrophobicContact CB-CB 3.79Å; C735-N742 PolarHBondContact O-ND2 2.86Å; R736-N742 PolarHBondContact O-ND2 3.14Å; N738-N742 VanDerWaalsContact CA-O 3.28Å; N738-N742 WeakPolarHBondContact CA-O 3.42Å; N738-N742 PolarHBondContact N-O 3.48Å; S739-N742 CarbonylContact O-C 3.26Å; S739-N742 VanDerWaalsContact O-C 3.26Å; S739-N742 PolarHBondContact O-N 3.19Å; S739-N742 PolarHBondContact OG-N 3.21Å; Y740-N742 VanDerWaalsContact C-N 3.35Å; N742-K746 VanDerWaalsContact OD1-CE 3.31Å; N742-K746 WeakPolarHBondContact OD1-CE 3.48Å; N742-K746 PolarHBondContact OD1-NZ 3.19Å
743	P	98.6	Very high	98.4	Very high	33 Å²	33	77 Å²	77	21%	0.214	35%	0.345	C	S	.	.			trans	-63.7	146.2	172.9	29.2	-35.2	0	0	0	110.6	Q724 K745	Q724-P743 HydrophobicContact CB-CG 3.9Å; Q724-P743 HydrophobicContact CG-CG 4.15Å; P743-K745 VanDerWaalsContact C-N 3.34Å
744	E	98	Very high	98.4	Very high	165 Å²	165	80.5 Å²	80.5	77%	0.771	36%	0.361	S	S	*	.	S	Bend	trans	-62.9	-40.2	176	-179.4	172.1	-172.3	0	0	112.3	N738	N738-E744 VanDerWaalsContact OD1-CB 3.32Å; N738-E744 WeakPolarHBondContact OD1-CB 3.46Å; N738-E744 PolarHBondContact OD1-N 2.95Å
745	K	98.3	Very high	98.4	Very high	151 Å²	151	76.1 Å²	76.1	66%	0.657	34%	0.339	S	S	*	.			trans	-83.3	116.6	173.8	-172.4	-178.6	-178.7	-176.2	0	109.5	P743	P743-K745 VanDerWaalsContact C-N 3.34Å
746	K	98.8	Very high	98.4	Very high	63 Å²	63	80.4 Å²	80.4	27%	0.274	36%	0.357	S	S	.	.			trans	-116.8	130.8	175.9	-62	-178.3	-176.9	-80.6	0	109.5	Q724 S726 N742	Q724-K746 PolarHBondContact O-NZ 3.45Å; S726-K746 PolarHBondContact O-NZ 3.03Å; N742-K746 VanDerWaalsContact OD1-CE 3.31Å; N742-K746 WeakPolarHBondContact OD1-CE 3.48Å; N742-K746 PolarHBondContact OD1-NZ 3.19Å
747	C	98.8	Very high	98.4	Very high	9 Å²	9	70.7 Å²	70.7	6%	0.061	32%	0.324	C	S	.	.			trans	-84.4	138.1	176.7	-56.2	0	0	0	0	110.3	C621 M622 N725	C621-C747 HydrophobicContact CB-CB 3.67Å; C621-C747 WeakPolarHBondContact CB-SG 3.42Å; C621-C747 PolarHBondContact O-SG 3.3Å; C621-C747 VanDerWaalsContact O-SG 3.35Å; C621-C747 WeakPolarHBondContact SG-CA 3.45Å; C621-C747 WeakPolarHBondContact SG-CB 3.48Å; C621-C747 CovalentContact SG-SG 2.04Å; C621-C747 PolarHBondContact SG-SG 3.1Å; M622-C747 HydrophobicContact CE-CB 4.08Å; M622-C747 HydrophobicContact CG-CB 3.59Å; N725-C747 WeakPolarHBondContact CB-O 3.11Å; N725-C747 PolarHBondContact OD1-N 3.41Å
748	R	98.6	Very high	98.4	Very high	108 Å²	108	61.4 Å²	61.4	41%	0.408	29%	0.285	S	S	.	.			trans	-149.6	130.2	175.3	-175.8	172.4	177.1	-163.3	-10.8	110.9	Q618 W750	Q618-R748 PolarHBondContact OE1-O 3.09Å; R748-W750 WeakPolarHBondContact CG-O 3.28Å; R748-W750 PolarHBondContact NE-O 3.38Å; R748-W750 VanDerWaalsContact NE-O 3.15Å
749	V	98.7	Very high	98.5	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.012	26%	0.262	C	S	.	.			trans	-108.6	-67.4	169.7	-174.8	0	0	0	0	108.5	W460 F615 Q618 M622 I649	W460-V749 HydrophobicContact CH2-CG1 4.23Å; W460-V749 HydrophobicContact CZ2-CG1 3.92Å; W460-V749 VanDerWaalsContact CZ2-O 3.28Å; W460-V749 WeakPolarHBondContact CZ2-O 3.43Å; W460-V749 PolarHBondContact NE1-O 3.28Å; F615-V749 HydrophobicContact CD2-CG1 3.89Å; F615-V749 HydrophobicContact CE2-CG1 3.67Å; Q618-V749 HydrophobicContact CB-CG2 4.01Å; M622-V749 HydrophobicContact CE-CG2 4.29Å; M622-V749 HydrophobicContact SD-CG2 4.41Å; I649-V749 HydrophobicContact CG1-CG2 4.29Å; I649-V749 HydrophobicContact CG2-CB 4.48Å
750	W	98.1	Very high	98.5	Very high	10 Å²	10	60.7 Å²	60.7	4%	0.038	27%	0.269	C	S	.	.			trans	-95.4	0	-177.1	-58.1	110.8	0	0	0	114.3	F451 T454 L455 L458 W460 M461 T587 F590 W607 F615 I649 R748	F451-W750 HydrophobicContact CE2-CD2 4.27Å; F451-W750 AromaticContact CE2-CE3 4Å; F451-W750 HydrophobicContact CE2-CE3 4Å; F451-W750 AromaticContact CZ-CE3 4Å; F451-W750 HydrophobicContact CZ-CE3 4Å; F451-W750 HydrophobicContact CZ-CZ3 4.18Å; T454-W750 WeakPolarHBondContact CG2-OXT 3.41Å; L455-W750 HydrophobicContact CD2-CE3 4.41Å; L455-W750 HydrophobicContact CD2-CZ3 3.98Å; L458-W750 HydrophobicContact CD1-CE3 3.74Å; L458-W750 HydrophobicContact CD1-CZ3 3.96Å; W460-W750 AromaticContact CH2-CH2 3.94Å; W460-W750 HydrophobicContact CH2-CH2 3.94Å; W460-W750 HydrophobicContact CH2-CZ2 4.12Å; W460-W750 HydrophobicContact CH2-CZ3 4.29Å; W460-W750 HydrophobicContact CZ2-CE3 4.37Å; W460-W750 HydrophobicContact CZ2-CH2 4.3Å; W460-W750 HydrophobicContact CZ2-CZ2 4.49Å; W460-W750 HydrophobicContact CZ2-CZ3 4.23Å; M461-W750 HydrophobicContact CE-CH2 4.25Å; M461-W750 HydrophobicContact CE-CZ3 4.3Å; M461-W750 HydrophobicContact SD-CH2 4.02Å; M461-W750 HydrophobicContact SD-CZ3 3.75Å; T587-W750 HydrophobicContact CG2-CB 4.45Å; T587-W750 VanDerWaalsContact CG2-CD1 3.44Å; T587-W750 HydrophobicContact CG2-CG 4.1Å; F590-W750 HydrophobicContact CB-CD2 4.24Å; F590-W750 HydrophobicContact CB-CH2 3.88Å; F590-W750 HydrophobicContact CB-CZ2 3.39Å; F590-W750 HydrophobicContact CB-CZ3 4.5Å; F590-W750 HydrophobicContact CD1-CH2 4.27Å; F590-W750 HydrophobicContact CG-CH2 4.39Å; F590-W750 HydrophobicContact CG-CZ2 4.35Å; F590-W750 VanDerWaalsContact O-CE2 3.27Å; F590-W750 WeakPolarHBondContact O-CZ2 3.32Å; F590-W750 PolarHBondContact O-NE1 2.9Å; W607-W750 AromaticContact CH2-CH2 3.63Å; W607-W750 HydrophobicContact CH2-CH2 3.63Å; W607-W750 AromaticContact CH2-CZ2 3.94Å; W607-W750 HydrophobicContact CH2-CZ2 3.94Å; W607-W750 HydrophobicContact CZ2-CH2 4.08Å; W607-W750 HydrophobicContact CZ2-CZ2 4.3Å; F615-W750 HydrophobicContact CD2-CZ2 4.07Å; F615-W750 AromaticContact CE2-CZ2 3.8Å; F615-W750 HydrophobicContact CE2-CZ2 3.8Å; F615-W750 AromaticContact CE2-NE1 4Å; I649-W750 VanDerWaalsContact CG2-CD1 3.49Å; R748-W750 WeakPolarHBondContact CG-O 3.28Å; R748-W750 PolarHBondContact NE-O 3.38Å; R748-W750 VanDerWaalsContact NE-O 3.15Å

Retrieved 750 of 750 residues in 1271.3 ms (Link to these results)

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