A0A061IKC5_CRIGR 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 the atrial natriuretic factor (ANF). Displays UV-inducible elastase activity toward skin preelastic and elastic fibers.

AlphaFold DB , UniProt , Accession A0A061IKC5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mme, Length 750 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	40.5	Very low	252 Å²	252	153.1 Å²	153.1	100%	1.241	82%	0.815	S	S	*	*				0	121.4	0	-68.6	171.9	171.3	0	0	105.9
2	G	40	Very low	40.5	Very low	73 Å²	73	152 Å²	152	75%	0.753	81%	0.81	S	S	*	*			cis	135.3	125.3	16.2	0	0	0	0	0	107.8
3	R	37.4	Very low	41.4	Very low	252 Å²	252	153.3 Å²	153.3	95%	0.951	81%	0.814	S	S	*	*			trans	76.3	147.7	170.8	-64.3	-177.8	175.8	178.8	-1.7	117
4	S	41.6	Very low	41.6	Very low	90 Å²	90	152.9 Å²	152.9	63%	0.629	81%	0.812	S	S	*	*			cis	178.5	147	-11.7	178.4	0	0	0	0	107.6
5	E	42.8	Very low	42.6	Very low	177 Å²	177	150 Å²	150	83%	0.827	80%	0.803	S	S	*	*			trans	75.4	127.5	149.8	-83.4	168.8	175.4	0	0	125.8
6	S	42.6	Very low	43.1	Very low	113 Å²	113	148.6 Å²	148.6	79%	0.79	80%	0.804	S	S	*	*			trans	60.7	141.7	149.8	84.8	0	0	0	0	118.4
7	Q	42.3	Very low	43.7	Very low	173 Å²	173	151 Å²	151	81%	0.808	81%	0.806	S	S	*	*			cis	-161.9	134	43.2	-112.4	168.5	-17.3	0	0	106.1
8	M	37	Very low	44.1	Very low	152 Å²	152	149.4 Å²	149.4	75%	0.749	81%	0.805	S	S	*	*				57.5	108	82	-140.7	179.9	71.8	0	0	116.3
9	D	39.8	Very low	44.6	Very low	136 Å²	136	152.3 Å²	152.3	73%	0.727	81%	0.809	S	S	*	*			trans	152.9	100.9	145.1	-86.4	-11	0	0	0	108.6
10	I	47.2	Very low	44.9	Very low	139 Å²	139	155 Å²	155	71%	0.713	81%	0.813	S	S	*	*				44.9	106	76.2	-50.6	-179.8	0	0	0	112.7
11	T	38.9	Very low	45.4	Very low	127 Å²	127	157.1 Å²	157.1	78%	0.779	82%	0.816	S	S	*	*				-174.6	123	124.3	22.9	0	0	0	0	113.7
12	D	40.8	Very low	46.4	Very low	140 Å²	140	153.3 Å²	153.3	75%	0.749	80%	0.795	S	S	*	*			trans	57.8	108.7	135.3	-67.2	-24.8	0	0	0	123.5	N14	D12-N14 PolarHBondContact O-N 2.77Å
13	I	52.3	Low	47.5	Very low	169 Å²	169	161 Å²	161	87%	0.867	80%	0.802	S	S	*	*			trans	-57.2	109.8	153.7	-61.4	166	0	0	0	109
14	N	44.3	Very low	48.8	Very low	147 Å²	147	156.4 Å²	156.4	79%	0.786	78%	0.784	S	S	*	*			trans	-100	110.8	171	-114.2	-32.3	0	0	0	110.3	D12	D12-N14 PolarHBondContact O-N 2.77Å
15	T	56.2	Low	50.5	Low	110 Å²	110	155.2 Å²	155.2	68%	0.675	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-53.5	147.4	168.3	37.7	0	0	0	0	112.5	K17	T15-K17 PolarHBondContact O-N 2.82Å
16	P	51.7	Low	52.1	Low	127 Å²	127	151.8 Å²	151.8	83%	0.825	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-68	123.1	178.3	-5.2	19.8	0	0	0	110.4
17	K	53.5	Low	53.9	Low	190 Å²	190	152.6 Å²	152.6	83%	0.826	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-63.7	141.9	172.7	-73.7	178.5	178.6	173.8	0	110.6	T15 K19	T15-K17 PolarHBondContact O-N 2.82Å; K17-K19 PolarHBondContact O-N 2.73Å
18	P	49.9	Very low	55.6	Low	122 Å²	122	148.6 Å²	148.6	79%	0.792	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-65.7	125.3	175.1	27.2	-31.6	0	0	0	109.6	K20	P18-K20 PolarHBondContact O-N 2.93Å; P18-K20 VanDerWaalsContact O-N 3.1Å
19	K	53	Low	57.7	Low	204 Å²	204	145.6 Å²	145.6	89%	0.887	73%	0.729	S	S	*	*			trans	-58.9	115.5	169.4	-75.7	-176.9	177.4	179.7	0	108.1	K17 K21	K17-K19 PolarHBondContact O-N 2.73Å; K19-K21 PolarHBondContact O-N 3.31Å; K19-K21 VanDerWaalsContact O-N 3.09Å
20	K	51.5	Low	59.6	Low	206 Å²	206	143 Å²	143	90%	0.896	72%	0.721	S	S	*	*			trans	-52.7	117	169.3	-89.5	-179.6	174.1	178.7	0	107.9	P18 Q22	P18-K20 PolarHBondContact O-N 2.93Å; P18-K20 VanDerWaalsContact O-N 3.1Å; K20-Q22 PolarHBondContact O-N 3.13Å
21	K	55.5	Low	61.4	Low	200 Å²	200	141.5 Å²	141.5	87%	0.87	71%	0.714	S	S	*	*			trans	-59.5	109	168	-79	-176.4	176.4	-178.7	0	107.3	K19 R23	K19-K21 PolarHBondContact O-N 3.31Å; K19-K21 VanDerWaalsContact O-N 3.09Å; K21-R23 PolarHBondContact O-N 3.1Å
22	Q	57.3	Low	63.4	Low	172 Å²	172	137.8 Å²	137.8	80%	0.804	69%	0.693	S	S	*	*			trans	-60.2	104.6	171.4	-162.4	164.7	-3.4	0	0	106.6	K20 W24	K20-Q22 PolarHBondContact O-N 3.13Å; Q22-W24 PolarHBondContact O-N 3.27Å
23	R	62.1	Low	65.7	Low	236 Å²	236	134.9 Å²	134.9	89%	0.891	68%	0.68	S	S	*	*			trans	-77.6	108	175.6	-87.6	-176.5	168.4	179	-3.5	106.4	K21 T25	K21-R23 PolarHBondContact O-N 3.1Å; R23-T25 PolarHBondContact O-N 3.42Å
24	W	64.1	Low	67.5	Low	154 Å²	154	131.6 Å²	131.6	58%	0.583	66%	0.664	S	S	*	*			trans	-57.6	133.2	173.8	-67.1	55.3	0	0	0	108.3	Q22 E28 I29 S32	Q22-W24 PolarHBondContact O-N 3.27Å; W24-E28 WeakPolarHBondContact CA-OE2 3.46Å; W24-E28 HydrophobicContact CB-CB 4.42Å; W24-E28 HydrophobicContact CE3-CB 3.79Å; W24-E28 HydrophobicContact CZ3-CB 4.48Å; W24-I29 HydrophobicContact CB-CD1 4.13Å; W24-I29 HydrophobicContact CB-CG1 3.65Å; W24-S32 WeakPolarHBondContact CZ3-OG 3.16Å
25	T	78.2	Confident	69.7	Low	65 Å²	65	128.4 Å²	128.4	40%	0.399	65%	0.65	S	S	.	*			trans	-66.1	154.9	173.3	60.1	0	0	0	0	109.8	R23 L27 E28 I29	R23-T25 PolarHBondContact O-N 3.42Å; T25-L27 PolarHBondContact O-N 2.68Å; T25-L27 VanDerWaalsContact O-N 3.12Å; T25-E28 PolarHBondContact N-OE2 3.02Å; T25-E28 PolarHBondContact O-N 2.68Å; T25-E28 VanDerWaalsContact OG1-CD 3.24Å; T25-E28 WeakPolarHBondContact OG1-CG 3.44Å; T25-E28 PolarHBondContact OG1-N 3.28Å; T25-E28 PolarHBondContact OG1-OE2 3.34Å; T25-I29 PolarHBondContact O-N 2.96Å
26	P	76.5	Confident	71.4	Confident	106 Å²	106	128.2 Å²	128.2	69%	0.688	64%	0.644	S	S	*	*	H	α-helix	trans	-53.2	-34.8	177.3	-24.8	32.9	0	0	0	112.8	S30	P26-S30 WeakPolarHBondContact O-CB 3.12Å; P26-S30 PolarHBondContact O-N 2.93Å; P26-S30 PolarHBondContact O-OG 3.26Å
27	L	78.9	Confident	73.3	Confident	130 Å²	130	126.6 Å²	126.6	68%	0.681	63%	0.628	S	S	*	*	H	α-helix	trans	-65.7	-45.5	176.5	-165.4	80.9	0	0	0	112.2	T25 I29 S30 L31	T25-L27 PolarHBondContact O-N 2.68Å; T25-L27 VanDerWaalsContact O-N 3.12Å; L27-I29 VanDerWaalsContact C-N 3.33Å; L27-I29 PolarHBondContact O-N 3.36Å; L27-S30 PolarHBondContact O-N 3.46Å; L27-L31 WeakPolarHBondContact O-CB 3.34Å; L27-L31 PolarHBondContact O-N 3.28Å
28	E	78.7	Confident	75.1	Confident	89 Å²	89	122.5 Å²	122.5	42%	0.416	62%	0.615	S	S	.	*	H	α-helix	trans	-66.2	-35	178.3	-70.3	164.3	151.1	0	0	112	W24 T25 S32	W24-E28 WeakPolarHBondContact CA-OE2 3.46Å; W24-E28 HydrophobicContact CB-CB 4.42Å; W24-E28 HydrophobicContact CE3-CB 3.79Å; W24-E28 HydrophobicContact CZ3-CB 4.48Å; T25-E28 PolarHBondContact N-OE2 3.02Å; T25-E28 PolarHBondContact O-N 2.68Å; T25-E28 VanDerWaalsContact OG1-CD 3.24Å; T25-E28 WeakPolarHBondContact OG1-CG 3.44Å; T25-E28 PolarHBondContact OG1-N 3.28Å; T25-E28 PolarHBondContact OG1-OE2 3.34Å; E28-S32 VanDerWaalsContact O-CB 3.31Å; E28-S32 WeakPolarHBondContact O-CB 3.48Å; E28-S32 PolarHBondContact O-N 3.39Å; E28-S32 PolarHBondContact O-OG 3.17Å
29	I	80.5	Confident	77.1	Confident	89 Å²	89	120.1 Å²	120.1	46%	0.456	60%	0.598	S	S	.	*	H	α-helix	trans	-66	-48.8	173.4	-62.6	172	0	0	0	109.8	W24 T25 L27 L31 S32 V33	W24-I29 HydrophobicContact CB-CD1 4.13Å; W24-I29 HydrophobicContact CB-CG1 3.65Å; T25-I29 PolarHBondContact O-N 2.96Å; L27-I29 VanDerWaalsContact C-N 3.33Å; L27-I29 PolarHBondContact O-N 3.36Å; I29-L31 VanDerWaalsContact C-N 3.35Å; I29-L31 PolarHBondContact O-N 3.41Å; I29-S32 PolarHBondContact O-N 3.34Å; I29-V33 HydrophobicContact CG2-CG2 4.45Å; I29-V33 VanDerWaalsContact O-CG2 3.27Å; I29-V33 WeakPolarHBondContact O-CG2 3.4Å; I29-V33 PolarHBondContact O-N 2.96Å
30	S	79.9	Confident	78.9	Confident	81 Å²	81	114.7 Å²	114.7	57%	0.566	58%	0.578	S	S	*	*	H	α-helix	trans	-61	-41.5	177.5	-68.9	0	0	0	0	112.5	P26 L27 V33 L34	P26-S30 WeakPolarHBondContact O-CB 3.12Å; P26-S30 PolarHBondContact O-N 2.93Å; P26-S30 PolarHBondContact O-OG 3.26Å; L27-S30 PolarHBondContact O-N 3.46Å; S30-V33 PolarHBondContact O-N 2.86Å; S30-L34 WeakPolarHBondContact O-CB 3.44Å; S30-L34 PolarHBondContact O-N 2.71Å
31	L	85.4	Confident	80.8	Confident	107 Å²	107	109.3 Å²	109.3	56%	0.56	56%	0.558	S	S	*	*	H	α-helix	trans	-66.4	-40.7	177.9	-139.6	97.6	0	0	0	111.5	L27 I29 L34 V35	L27-L31 WeakPolarHBondContact O-CB 3.34Å; L27-L31 PolarHBondContact O-N 3.28Å; I29-L31 VanDerWaalsContact C-N 3.35Å; I29-L31 PolarHBondContact O-N 3.41Å; L31-L34 PolarHBondContact O-N 2.75Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.39Å; L31-V35 PolarHBondContact O-N 2.98Å
32	S	82.1	Confident	82.5	Confident	49 Å²	49	102.1 Å²	102.1	34%	0.343	54%	0.536	S	S	.	.	H	α-helix	trans	-67.8	-38.7	178.7	-58.2	0	0	0	0	112.3	W24 E28 I29 L36	W24-S32 WeakPolarHBondContact CZ3-OG 3.16Å; E28-S32 VanDerWaalsContact O-CB 3.31Å; E28-S32 WeakPolarHBondContact O-CB 3.48Å; E28-S32 PolarHBondContact O-N 3.39Å; E28-S32 PolarHBondContact O-OG 3.17Å; I29-S32 PolarHBondContact O-N 3.34Å; S32-L36 VanDerWaalsContact O-CB 3.27Å; S32-L36 WeakPolarHBondContact O-CB 3.42Å; S32-L36 PolarHBondContact O-N 2.69Å
33	V	87.3	Confident	84	Confident	79 Å²	79	98.6 Å²	98.6	48%	0.479	53%	0.526	S	S	.	.	H	α-helix	trans	-65	-40.8	173.4	171.5	0	0	0	0	110.8	I29 S30 L36 L37	I29-V33 HydrophobicContact CG2-CG2 4.45Å; I29-V33 VanDerWaalsContact O-CG2 3.27Å; I29-V33 WeakPolarHBondContact O-CG2 3.4Å; I29-V33 PolarHBondContact O-N 2.96Å; S30-V33 PolarHBondContact O-N 2.86Å; V33-L36 PolarHBondContact O-N 3.14Å; V33-L37 HydrophobicContact CG1-CD1 3.94Å; V33-L37 WeakPolarHBondContact O-CB 3.42Å; V33-L37 WeakPolarHBondContact O-CG 3.41Å; V33-L37 PolarHBondContact O-N 3.33Å
34	L	90.6	Very high	85.1	Confident	100 Å²	100	90.8 Å²	90.8	52%	0.524	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-46.4	176.4	-168.6	80.9	0	0	0	111.8	S30 L31 L36 L37 L38	S30-L34 WeakPolarHBondContact O-CB 3.44Å; S30-L34 PolarHBondContact O-N 2.71Å; L31-L34 PolarHBondContact O-N 2.75Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-L36 PolarHBondContact O-N 2.86Å; L34-L37 PolarHBondContact O-N 3.33Å; L34-L38 HydrophobicContact CG-CD1 4.24Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 WeakPolarHBondContact O-CG 3.32Å; L34-L38 PolarHBondContact O-N 3.42Å
35	V	90.9	Very high	86.2	Confident	81 Å²	81	89.2 Å²	89.2	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-44.1	176.2	170.5	0	0	0	0	110.4	L31 L37 L38 T39	L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.39Å; L31-V35 PolarHBondContact O-N 2.98Å; V35-L37 PolarHBondContact O-N 2.96Å; V35-L38 PolarHBondContact O-N 2.97Å; V35-T39 PolarHBondContact O-N 3.48Å; V35-T39 PolarHBondContact O-OG1 3.38Å
36	L	91.1	Very high	86.4	Confident	106 Å²	106	91.8 Å²	91.8	56%	0.555	52%	0.515	S	S	*	.	H	α-helix	trans	-60	-46.7	177	-169.6	76	0	0	0	111.5	S32 V33 L34 T39 I40	S32-L36 VanDerWaalsContact O-CB 3.27Å; S32-L36 WeakPolarHBondContact O-CB 3.42Å; S32-L36 PolarHBondContact O-N 2.69Å; V33-L36 PolarHBondContact O-N 3.14Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-L36 PolarHBondContact O-N 2.86Å; L36-T39 VanDerWaalsContact C-OG1 3.31Å; L36-T39 VanDerWaalsContact CA-OG1 3.26Å; L36-T39 WeakPolarHBondContact CA-OG1 3.39Å; L36-T39 PolarHBondContact O-N 2.96Å; L36-T39 PolarHBondContact O-OG1 3.47Å; L36-I40 HydrophobicContact CD2-CD1 4.48Å; L36-I40 HydrophobicContact CG-CD1 4.06Å; L36-I40 VanDerWaalsContact O-CG1 3.26Å; L36-I40 WeakPolarHBondContact O-CG1 3.41Å; L36-I40 PolarHBondContact O-N 3.41Å
37	L	91.9	Very high	86.6	Confident	92 Å²	92	89 Å²	89	48%	0.482	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-44.5	176.6	-80.3	164.1	0	0	0	112	V33 L34 V35 I40 I41	V33-L37 HydrophobicContact CG1-CD1 3.94Å; V33-L37 WeakPolarHBondContact O-CB 3.42Å; V33-L37 WeakPolarHBondContact O-CG 3.41Å; V33-L37 PolarHBondContact O-N 3.33Å; L34-L37 PolarHBondContact O-N 3.33Å; V35-L37 PolarHBondContact O-N 2.96Å; L37-I40 PolarHBondContact O-N 3.37Å; L37-I41 VanDerWaalsContact O-CG1 3.26Å; L37-I41 WeakPolarHBondContact O-CG1 3.38Å; L37-I41 PolarHBondContact O-N 3.13Å
38	L	92.1	Very high	86.7	Confident	104 Å²	104	88.1 Å²	88.1	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-64.3	-39.7	176.8	-72.1	171.1	0	0	0	111.8	L34 V35 I41 A42	L34-L38 HydrophobicContact CG-CD1 4.24Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 WeakPolarHBondContact O-CG 3.32Å; L34-L38 PolarHBondContact O-N 3.42Å; V35-L38 PolarHBondContact O-N 2.97Å; L38-I41 PolarHBondContact O-N 2.8Å; L38-A42 WeakPolarHBondContact O-CB 3.48Å; L38-A42 PolarHBondContact O-N 3.4Å
39	T	90.6	Very high	86.5	Confident	72 Å²	72	93.2 Å²	93.2	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-66.1	-39.4	173.2	40.9	0	0	0	0	112.4	V35 L36 A42 V43	V35-T39 PolarHBondContact O-N 3.48Å; V35-T39 PolarHBondContact O-OG1 3.38Å; L36-T39 VanDerWaalsContact C-OG1 3.31Å; L36-T39 VanDerWaalsContact CA-OG1 3.26Å; L36-T39 WeakPolarHBondContact CA-OG1 3.39Å; L36-T39 PolarHBondContact O-N 2.96Å; L36-T39 PolarHBondContact O-OG1 3.47Å; T39-A42 PolarHBondContact O-N 3.13Å; T39-V43 WeakPolarHBondContact O-CB 3.38Å; T39-V43 WeakPolarHBondContact O-CG2 3.44Å; T39-V43 PolarHBondContact O-N 2.67Å
40	I	91.9	Very high	86.1	Confident	91 Å²	91	92.8 Å²	92.8	47%	0.467	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-45.7	175.8	-70.7	165.3	0	0	0	109.9	L36 L37 V43 T44	L36-I40 HydrophobicContact CD2-CD1 4.48Å; L36-I40 HydrophobicContact CG-CD1 4.06Å; L36-I40 VanDerWaalsContact O-CG1 3.26Å; L36-I40 WeakPolarHBondContact O-CG1 3.41Å; L36-I40 PolarHBondContact O-N 3.41Å; L37-I40 PolarHBondContact O-N 3.37Å; I40-V43 PolarHBondContact O-N 3.41Å; I40-T44 PolarHBondContact O-N 3.04Å; I40-T44 PolarHBondContact O-OG1 2.93Å
41	I	92.1	Very high	85.7	Confident	93 Å²	93	94.1 Å²	94.1	48%	0.477	53%	0.528	S	S	.	.	H	α-helix	trans	-62.1	-43.6	177.1	-68.5	165.1	0	0	0	111.2	L37 L38 T44 M45	L37-I41 VanDerWaalsContact O-CG1 3.26Å; L37-I41 WeakPolarHBondContact O-CG1 3.38Å; L37-I41 PolarHBondContact O-N 3.13Å; L38-I41 PolarHBondContact O-N 2.8Å; I41-T44 WeakPolarHBondContact CA-OG1 3.28Å; I41-T44 PolarHBondContact O-N 3.39Å; I41-T44 PolarHBondContact O-OG1 3.2Å; I41-T44 VanDerWaalsContact O-OG1 3.09Å; I41-M45 HydrophobicContact CG2-CG 4.38Å; I41-M45 WeakPolarHBondContact O-CB 3.22Å; I41-M45 VanDerWaalsContact O-CG 3.26Å; I41-M45 WeakPolarHBondContact O-CG 3.43Å; I41-M45 PolarHBondContact O-N 2.73Å
42	A	90	Very high	85.2	Confident	49 Å²	49	96.9 Å²	96.9	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-63.6	-43.9	177.3	0	0	0	0	0	111.3	L38 T39 M45 I46	L38-A42 WeakPolarHBondContact O-CB 3.48Å; L38-A42 PolarHBondContact O-N 3.4Å; T39-A42 PolarHBondContact O-N 3.13Å; A42-M45 PolarHBondContact O-N 3.28Å; A42-I46 WeakPolarHBondContact O-CB 3.44Å; A42-I46 WeakPolarHBondContact O-CD1 3.36Å; A42-I46 WeakPolarHBondContact O-CG1 3.34Å; A42-I46 PolarHBondContact O-N 3.24Å
43	V	88.6	Confident	85.1	Confident	98 Å²	98	99.1 Å²	99.1	59%	0.594	54%	0.54	S	S	*	.	H	α-helix	trans	-66.5	-40.9	177.9	171.9	0	0	0	0	111.4	T39 I40 I46 A47	T39-V43 WeakPolarHBondContact O-CB 3.38Å; T39-V43 WeakPolarHBondContact O-CG2 3.44Å; T39-V43 PolarHBondContact O-N 2.67Å; I40-V43 PolarHBondContact O-N 3.41Å; V43-I46 PolarHBondContact O-N 3.29Å; V43-A47 VanDerWaalsContact O-CB 3.24Å; V43-A47 WeakPolarHBondContact O-CB 3.29Å; V43-A47 PolarHBondContact O-N 3.24Å
44	T	86.5	Confident	85.1	Confident	71 Å²	71	98.1 Å²	98.1	44%	0.436	53%	0.532	S	S	.	.	H	α-helix	trans	-68.5	-37.8	175.3	40.7	0	0	0	0	112.4	I40 I41 A47 L48	I40-T44 PolarHBondContact O-N 3.04Å; I40-T44 PolarHBondContact O-OG1 2.93Å; I41-T44 WeakPolarHBondContact CA-OG1 3.28Å; I41-T44 PolarHBondContact O-N 3.39Å; I41-T44 PolarHBondContact O-OG1 3.2Å; I41-T44 VanDerWaalsContact O-OG1 3.09Å; T44-A47 PolarHBondContact O-N 3.3Å; T44-L48 VanDerWaalsContact O-CB 3.27Å; T44-L48 WeakPolarHBondContact O-CB 3.48Å; T44-L48 WeakPolarHBondContact O-CG 3.38Å; T44-L48 PolarHBondContact O-N 3.48Å
45	M	85.8	Confident	85.1	Confident	122 Å²	122	94.8 Å²	94.8	60%	0.601	52%	0.522	S	S	*	.	H	α-helix	trans	-66.3	-40.8	174.2	-75	-69.6	-73.9	0	0	112.1	I41 A42 L48 Y49	I41-M45 HydrophobicContact CG2-CG 4.38Å; I41-M45 WeakPolarHBondContact O-CB 3.22Å; I41-M45 VanDerWaalsContact O-CG 3.26Å; I41-M45 WeakPolarHBondContact O-CG 3.43Å; I41-M45 PolarHBondContact O-N 2.73Å; A42-M45 PolarHBondContact O-N 3.28Å; M45-L48 PolarHBondContact O-N 3.07Å; M45-Y49 VanDerWaalsContact O-CB 3.26Å; M45-Y49 WeakPolarHBondContact O-CB 3.26Å; M45-Y49 PolarHBondContact O-N 3.15Å
46	I	83.8	Confident	85.3	Confident	118 Å²	118	93.7 Å²	93.7	61%	0.605	51%	0.512	S	S	*	.	H	α-helix	trans	-64.9	-43	173.8	-69.4	165.2	0	0	0	110.3	A42 V43 Y49 A50	A42-I46 WeakPolarHBondContact O-CB 3.44Å; A42-I46 WeakPolarHBondContact O-CD1 3.36Å; A42-I46 WeakPolarHBondContact O-CG1 3.34Å; A42-I46 PolarHBondContact O-N 3.24Å; V43-I46 PolarHBondContact O-N 3.29Å; I46-Y49 PolarHBondContact O-N 3.08Å; I46-A50 WeakPolarHBondContact O-CB 3.28Å; I46-A50 PolarHBondContact O-N 3.18Å
47	A	79.4	Confident	85.6	Confident	49 Å²	49	89.7 Å²	89.7	41%	0.405	49%	0.493	S	S	.	.	H	α-helix	trans	-62.5	-48.7	176.3	0	0	0	0	0	111	V43 T44 Y49 A50 T51	V43-A47 VanDerWaalsContact O-CB 3.24Å; V43-A47 WeakPolarHBondContact O-CB 3.29Å; V43-A47 PolarHBondContact O-N 3.24Å; T44-A47 PolarHBondContact O-N 3.3Å; A47-Y49 PolarHBondContact O-N 3.42Å; A47-A50 PolarHBondContact O-N 3.1Å; A47-T51 WeakPolarHBondContact O-CB 3.44Å; A47-T51 WeakPolarHBondContact O-CG2 3.48Å; A47-T51 PolarHBondContact O-N 3.49Å; A47-T51 PolarHBondContact O-OG1 3.27Å
48	L	80.9	Confident	85.7	Confident	111 Å²	111	91.5 Å²	91.5	58%	0.581	50%	0.497	S	S	*	.	H	α-helix	trans	-59.3	-44	177.3	-76	167.6	0	0	0	111.8	T44 M45 T51 Y52	T44-L48 VanDerWaalsContact O-CB 3.27Å; T44-L48 WeakPolarHBondContact O-CB 3.48Å; T44-L48 WeakPolarHBondContact O-CG 3.38Å; T44-L48 PolarHBondContact O-N 3.48Å; M45-L48 PolarHBondContact O-N 3.07Å; L48-T51 PolarHBondContact O-N 3.09Å; L48-T51 PolarHBondContact O-OG1 3.4Å; L48-Y52 WeakPolarHBondContact O-CB 3.25Å; L48-Y52 PolarHBondContact O-N 3.07Å
49	Y	75.6	Confident	86	Confident	196 Å²	196	88.9 Å²	88.9	77%	0.769	49%	0.488	S	S	*	.	H	α-helix	trans	-67	-40.4	176.3	-175	-99.2	0	0	0	112.3	M45 I46 A47 T51 Y52	M45-Y49 VanDerWaalsContact O-CB 3.26Å; M45-Y49 WeakPolarHBondContact O-CB 3.26Å; M45-Y49 PolarHBondContact O-N 3.15Å; I46-Y49 PolarHBondContact O-N 3.08Å; A47-Y49 PolarHBondContact O-N 3.42Å; Y49-T51 VanDerWaalsContact C-N 3.34Å; Y49-Y52 PolarHBondContact O-N 2.85Å
50	A	71.5	Confident	86.3	Confident	80 Å²	80	88.7 Å²	88.7	66%	0.661	49%	0.489	S	S	*	.	H	α-helix	trans	-71.5	-26.7	177.8	0	0	0	0	0	113.1	I46 A47	I46-A50 WeakPolarHBondContact O-CB 3.28Å; I46-A50 PolarHBondContact O-N 3.18Å; A47-A50 PolarHBondContact O-N 3.1Å
51	T	71.2	Confident	86.5	Confident	109 Å²	109	86 Å²	86	67%	0.669	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-1.7	175.9	59.4	0	0	0	0	113.8	A47 L48 Y49 D53	A47-T51 WeakPolarHBondContact O-CB 3.44Å; A47-T51 WeakPolarHBondContact O-CG2 3.48Å; A47-T51 PolarHBondContact O-N 3.49Å; A47-T51 PolarHBondContact O-OG1 3.27Å; L48-T51 PolarHBondContact O-N 3.09Å; L48-T51 PolarHBondContact O-OG1 3.4Å; Y49-T51 VanDerWaalsContact C-N 3.34Å; T51-D53 PolarHBondContact O-N 2.93Å
52	Y	76.4	Confident	86.8	Confident	165 Å²	165	81.9 Å²	81.9	65%	0.647	46%	0.455	S	S	*	.			trans	-72.9	108.3	179.5	-177.4	-105.9	0	0	0	110.1	L48 Y49 D54	L48-Y52 WeakPolarHBondContact O-CB 3.25Å; L48-Y52 PolarHBondContact O-N 3.07Å; Y49-Y52 PolarHBondContact O-N 2.85Å; Y52-D54 HydrophobicContact CD1-CB 4.38Å; Y52-D54 HydrophobicContact CE1-CB 3.83Å
53	D	79	Confident	87.2	Confident	95 Å²	95	83.8 Å²	83.8	51%	0.508	46%	0.457	S	S	.	.			trans	-92.6	107	171.6	-164.6	-1.1	0	0	0	108.6	T51 G55 K673	T51-D53 PolarHBondContact O-N 2.93Å; D53-G55 PolarHBondContact O-N 3.39Å; D53-G55 PolarHBondContact OD1-N 3.19Å; D53-G55 VanDerWaalsContact OD1-N 3.15Å; D53-K673 IonicContact OD1-NZ 2.72Å; D53-K673 PolarHBondContact OD1-NZ 3.12Å; D53-K673 WeakPolarHBondContact OD2-CE 3.46Å; D53-K673 IonicContact OD2-NZ 2.74Å; D53-K673 PolarHBondContact OD2-NZ 3.36Å
54	D	86.6	Confident	87.6	Confident	59 Å²	59	85.5 Å²	85.5	32%	0.316	46%	0.457	S	S	.	.			trans	-76.7	2.5	175.3	54.6	1.1	0	0	0	112.6	Y52 I56 K58	Y52-D54 HydrophobicContact CD1-CB 4.38Å; Y52-D54 HydrophobicContact CE1-CB 3.83Å; D54-I56 PolarHBondContact O-N 3.03Å; D54-I56 PolarHBondContact OD1-N 3.17Å; D54-K58 WeakPolarHBondContact OD1-CE 2.97Å; D54-K58 IonicContact OD1-NZ 3.74Å; D54-K58 PolarHBondContact OD1-NZ 3.16Å; D54-K58 WeakPolarHBondContact OD2-CE 3.33Å; D54-K58 IonicContact OD2-NZ 3Å; D54-K58 PolarHBondContact OD2-NZ 3.21Å
55	G	91.1	Very high	88.2	Confident	29 Å²	29	82.6 Å²	82.6	30%	0.299	44%	0.44	S	S	.	.	S	Bend	trans	74.1	9.5	-178.7	0	0	0	0	0	113.5	D53 K673 L674	D53-G55 PolarHBondContact O-N 3.39Å; D53-G55 PolarHBondContact OD1-N 3.19Å; D53-G55 VanDerWaalsContact OD1-N 3.15Å; G55-K673 CarbonylContact O-C 2.97Å; G55-K673 WeakPolarHBondContact O-CA 3.18Å; G55-K673 WeakPolarHBondContact O-CB 3.38Å; G55-L674 PolarHBondContact O-N 3.06Å
56	I	95.8	Very high	88.8	Confident	58 Å²	58	77 Å²	77	30%	0.297	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-104.4	133	-177	-60.9	172.7	0	0	0	110.1	D54 K58 L674 P676	D54-I56 PolarHBondContact O-N 3.03Å; D54-I56 PolarHBondContact OD1-N 3.17Å; I56-K58 PolarHBondContact O-N 2.83Å; I56-L674 CarbonylContact C-O 3.44Å; I56-L674 WeakPolarHBondContact CA-O 3.33Å; I56-P676 HydrophobicContact CG2-CB 3.73Å; I56-P676 HydrophobicContact CG2-CG 4.49Å
57	C	95.9	Very high	89.5	Confident	22 Å²	22	73.1 Å²	73.1	15%	0.149	40%	0.398	C	S	.	.			trans	-74.1	121.7	174.1	-174.5	0	0	0	0	111.2	S59 C62 K673 L674 P676	C57-S59 PolarHBondContact SG-OG 3.45Å; C57-C62 HydrophobicContact CB-CB 3.66Å; C57-C62 WeakPolarHBondContact CB-SG 3.47Å; C57-C62 WeakPolarHBondContact SG-CB 3.38Å; C57-C62 CovalentContact SG-SG 2.03Å; C57-C62 PolarHBondContact SG-SG 3.03Å; C57-K673 HydrophobicContact CB-CB 4.08Å; C57-L674 PolarHBondContact N-O 3.17Å; C57-P676 VanDerWaalsContact O-CD 3.32Å; C57-P676 WeakPolarHBondContact O-CD 3.47Å
58	K	95.5	Very high	90.4	Very high	131 Å²	131	73 Å²	73	57%	0.57	39%	0.387	S	S	*	.			trans	-111.6	12.1	-178.7	-63.2	167.7	-173.6	164.4	0	113.4	D54 I56	D54-K58 WeakPolarHBondContact OD1-CE 2.97Å; D54-K58 IonicContact OD1-NZ 3.74Å; D54-K58 PolarHBondContact OD1-NZ 3.16Å; D54-K58 WeakPolarHBondContact OD2-CE 3.33Å; D54-K58 IonicContact OD2-NZ 3Å; D54-K58 PolarHBondContact OD2-NZ 3.21Å; I56-K58 PolarHBondContact O-N 2.83Å
59	S	96.9	Very high	91.2	Very high	49 Å²	49	67.7 Å²	67.7	34%	0.343	36%	0.359	S	S	.	.	S	Bend	trans	-66.8	153.1	175.7	76.2	0	0	0	0	110.4	C57 D61 C62 I63	C57-S59 PolarHBondContact SG-OG 3.45Å; S59-D61 PolarHBondContact O-N 3.45Å; S59-C62 PolarHBondContact O-N 2.91Å; S59-C62 WeakPolarHBondContact OG-CB 3.23Å; S59-C62 PolarHBondContact OG-N 2.86Å; S59-C62 VanDerWaalsContact OG-N 3.14Å; S59-C62 PolarHBondContact OG-SG 3.49Å; S59-C62 VanDerWaalsContact OG-SG 3.33Å; S59-I63 WeakPolarHBondContact O-CG1 3.46Å; S59-I63 PolarHBondContact O-N 3.43Å
60	S	97.4	Very high	92.3	Very high	67 Å²	67	61.8 Å²	61.8	47%	0.469	34%	0.34	S	S	.	.	H	α-helix	trans	-53.1	-41.9	174.4	153.7	0	0	0	0	111.6	I63 K64	S60-I63 PolarHBondContact O-N 3.3Å; S60-K64 VanDerWaalsContact O-CG 3.31Å; S60-K64 WeakPolarHBondContact O-CG 3.4Å; S60-K64 PolarHBondContact O-N 3.11Å; S60-K64 WeakPolarHBondContact OG-CE 3.31Å
61	D	96.7	Very high	93.6	Very high	35 Å²	35	63.2 Å²	63.2	19%	0.187	33%	0.333	C	S	.	.	H	α-helix	trans	-69.2	-39.1	-176.9	-59.3	-58.5	0	0	0	112	S59 I63 K64 S65 R568	S59-D61 PolarHBondContact O-N 3.45Å; D61-I63 PolarHBondContact O-N 3.31Å; D61-K64 PolarHBondContact O-N 3.28Å; D61-S65 PolarHBondContact O-N 2.83Å; D61-S65 PolarHBondContact O-OG 3.16Å; D61-R568 HydrophobicContact CB-CB 3.83Å; D61-R568 WeakPolarHBondContact CB-O 3.19Å; D61-R568 WeakPolarHBondContact OD2-CB 3.27Å; D61-R568 WeakPolarHBondContact OD2-CD 3.4Å
62	C	97.7	Very high	94.9	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-43	171.5	-74.5	0	0	0	0	112.1	C57 S59 S65 A66 L675	C57-C62 HydrophobicContact CB-CB 3.66Å; C57-C62 WeakPolarHBondContact CB-SG 3.47Å; C57-C62 WeakPolarHBondContact SG-CB 3.38Å; C57-C62 CovalentContact SG-SG 2.03Å; C57-C62 PolarHBondContact SG-SG 3.03Å; S59-C62 PolarHBondContact O-N 2.91Å; S59-C62 WeakPolarHBondContact OG-CB 3.23Å; S59-C62 PolarHBondContact OG-N 2.86Å; S59-C62 VanDerWaalsContact OG-N 3.14Å; S59-C62 PolarHBondContact OG-SG 3.49Å; S59-C62 VanDerWaalsContact OG-SG 3.33Å; C62-S65 PolarHBondContact O-N 3.19Å; C62-A66 VanDerWaalsContact O-CB 3.29Å; C62-A66 WeakPolarHBondContact O-CB 3.14Å; C62-A66 PolarHBondContact O-N 3.5Å; C62-L675 HydrophobicContact CB-CD2 3.74Å
63	I	98.1	Very high	96	Very high	89 Å²	89	51.8 Å²	51.8	46%	0.456	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-42	179.4	-65.3	164.4	0	0	0	110.9	S59 S60 D61 A66 A67 P676	S59-I63 WeakPolarHBondContact O-CG1 3.46Å; S59-I63 PolarHBondContact O-N 3.43Å; S60-I63 PolarHBondContact O-N 3.3Å; D61-I63 PolarHBondContact O-N 3.31Å; I63-A66 PolarHBondContact O-N 3.1Å; I63-A67 WeakPolarHBondContact O-CB 3.36Å; I63-A67 PolarHBondContact O-N 3.34Å; I63-P676 HydrophobicContact CG1-CG 4.05Å
64	K	98.2	Very high	96.9	Very high	134 Å²	134	49.9 Å²	49.9	58%	0.583	27%	0.269	S	S	*	.	H	α-helix	trans	-60.4	-47.9	175.8	-74	173.1	-176	178.2	0	111.4	S60 D61 A67 R68	S60-K64 VanDerWaalsContact O-CG 3.31Å; S60-K64 WeakPolarHBondContact O-CG 3.4Å; S60-K64 PolarHBondContact O-N 3.11Å; S60-K64 WeakPolarHBondContact OG-CE 3.31Å; D61-K64 PolarHBondContact O-N 3.28Å; K64-A67 PolarHBondContact O-N 3.11Å; K64-R68 PolarHBondContact O-N 2.91Å; K64-R68 VanDerWaalsContact O-N 3.09Å
65	S	98.2	Very high	97.4	Very high	11 Å²	11	51 Å²	51	8%	0.077	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-44.2	178	-64.3	0	0	0	0	112	D61 C62 R68 L69	D61-S65 PolarHBondContact O-N 2.83Å; D61-S65 PolarHBondContact O-OG 3.16Å; C62-S65 PolarHBondContact O-N 3.19Å; S65-R68 PolarHBondContact O-N 3.26Å; S65-L69 WeakPolarHBondContact O-CB 3.28Å; S65-L69 WeakPolarHBondContact O-CD1 3.4Å; S65-L69 VanDerWaalsContact O-CG 3.26Å; S65-L69 WeakPolarHBondContact O-CG 3.36Å; S65-L69 PolarHBondContact O-N 3.42Å
66	A	98.4	Very high	97.8	Very high	3 Å²	3	54.5 Å²	54.5	3%	0.025	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-46.4	176.5	0	0	0	0	0	112	C62 I63 R68 L69 I70 L675 P676	C62-A66 VanDerWaalsContact O-CB 3.29Å; C62-A66 WeakPolarHBondContact O-CB 3.14Å; C62-A66 PolarHBondContact O-N 3.5Å; I63-A66 PolarHBondContact O-N 3.1Å; A66-R68 VanDerWaalsContact C-N 3.34Å; A66-R68 PolarHBondContact O-N 2.6Å; A66-L69 PolarHBondContact O-N 3.5Å; A66-I70 WeakPolarHBondContact O-CB 3.39Å; A66-I70 WeakPolarHBondContact O-CD1 3.43Å; A66-I70 VanDerWaalsContact O-CG1 3.23Å; A66-I70 WeakPolarHBondContact O-CG1 3.49Å; A66-I70 PolarHBondContact O-N 2.98Å; A66-L675 HydrophobicContact CB-CB 4.27Å; A66-P676 HydrophobicContact CB-CG 4.25Å; A66-P676 WeakPolarHBondContact CB-O 3.3Å
67	A	98.4	Very high	97.9	Very high	38 Å²	38	53.5 Å²	53.5	31%	0.314	30%	0.303	S	S	.	.	H	α-helix	trans	-58.6	-45	177.6	0	0	0	0	0	111.8	I63 K64 Q71	I63-A67 WeakPolarHBondContact O-CB 3.36Å; I63-A67 PolarHBondContact O-N 3.34Å; K64-A67 PolarHBondContact O-N 3.11Å; A67-Q71 VanDerWaalsContact O-CB 3.3Å; A67-Q71 WeakPolarHBondContact O-CB 2.99Å; A67-Q71 WeakPolarHBondContact O-CG 3.44Å; A67-Q71 PolarHBondContact O-N 2.98Å
68	R	98.4	Very high	98	Very high	45 Å²	45	57.6 Å²	57.6	17%	0.17	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-46.5	175.9	-174.6	-142.5	68	-157.4	3.5	111.8	K64 S65 A66 Q71 N72 N689	K64-R68 PolarHBondContact O-N 2.91Å; K64-R68 VanDerWaalsContact O-N 3.09Å; S65-R68 PolarHBondContact O-N 3.26Å; A66-R68 VanDerWaalsContact C-N 3.34Å; A66-R68 PolarHBondContact O-N 2.6Å; R68-Q71 PolarHBondContact O-N 2.89Å; R68-N72 WeakPolarHBondContact O-CB 3.01Å; R68-N72 PolarHBondContact O-N 3.36Å; R68-N689 PolarHBondContact NH1-OD1 2.77Å; R68-N689 PolarHBondContact NH2-OD1 3.22Å
69	L	98.8	Very high	98.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-56.7	-53.3	178	-73.6	160.3	0	0	0	111.3	S65 A66 Q71 N72 M73 L573 L675 I678 L685 L688 Q692	S65-L69 WeakPolarHBondContact O-CB 3.28Å; S65-L69 WeakPolarHBondContact O-CD1 3.4Å; S65-L69 VanDerWaalsContact O-CG 3.26Å; S65-L69 WeakPolarHBondContact O-CG 3.36Å; S65-L69 PolarHBondContact O-N 3.42Å; A66-L69 PolarHBondContact O-N 3.5Å; L69-Q71 PolarHBondContact O-N 2.79Å; L69-N72 PolarHBondContact O-N 2.68Å; L69-M73 WeakPolarHBondContact O-CG 3.44Å; L69-M73 PolarHBondContact O-N 3.49Å; L69-M73 VanDerWaalsContact O-N 3.16Å; L69-L573 HydrophobicContact CD1-CD1 4.38Å; L69-L573 HydrophobicContact CD1-CD2 4.07Å; L69-L573 HydrophobicContact CD2-CD2 4.49Å; L69-L675 HydrophobicContact CD1-CD1 3.56Å; L69-I678 HydrophobicContact CB-CD1 4.15Å; L69-L685 HydrophobicContact CD1-CD2 4.09Å; L69-L688 HydrophobicContact CB-CD2 4.38Å; L69-L688 HydrophobicContact CD2-CB 4.47Å; L69-L688 HydrophobicContact CD2-CD2 3.74Å; L69-L688 HydrophobicContact CD2-CG 3.75Å; L69-Q692 PolarHBondContact O-NE2 3.3Å
70	I	98.6	Very high	98.3	Very high	72 Å²	72	50.3 Å²	50.3	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-63	-42.7	-178.2	-66.6	161.7	0	0	0	111.2	A66 M73 G677 I678	A66-I70 WeakPolarHBondContact O-CB 3.39Å; A66-I70 WeakPolarHBondContact O-CD1 3.43Å; A66-I70 VanDerWaalsContact O-CG1 3.23Å; A66-I70 WeakPolarHBondContact O-CG1 3.49Å; A66-I70 PolarHBondContact O-N 2.98Å; I70-M73 WeakPolarHBondContact O-CG 3.45Å; I70-G677 WeakPolarHBondContact CD1-O 3.47Å; I70-I678 HydrophobicContact CD1-CB 4.34Å; I70-I678 HydrophobicContact CG1-CB 4.18Å; I70-I678 HydrophobicContact CG1-CD1 4.33Å
71	Q	98.5	Very high	98.3	Very high	110 Å²	110	51.1 Å²	51.1	51%	0.514	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-48.3	178.7	-75	170.4	18.1	0	0	110.2	A67 R68 L69 M73 R94	A67-Q71 VanDerWaalsContact O-CB 3.3Å; A67-Q71 WeakPolarHBondContact O-CB 2.99Å; A67-Q71 WeakPolarHBondContact O-CG 3.44Å; A67-Q71 PolarHBondContact O-N 2.98Å; R68-Q71 PolarHBondContact O-N 2.89Å; L69-Q71 PolarHBondContact O-N 2.79Å; Q71-M73 PolarHBondContact O-N 3.37Å; Q71-R94 PolarHBondContact O-NH1 2.89Å; Q71-R94 PolarHBondContact O-NH2 3.37Å
72	N	98.7	Very high	98.4	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.064	29%	0.288	C	S	.	.	H	α-helix	trans	-71.4	-32.1	-172	-72.9	-12.3	0	0	0	113.9	R68 L69 A87 C88 G89 G90 W91 R94 Q692	R68-N72 WeakPolarHBondContact O-CB 3.01Å; R68-N72 PolarHBondContact O-N 3.36Å; L69-N72 PolarHBondContact O-N 2.68Å; N72-A87 CarbonylContact C-O 3.53Å; N72-A87 VanDerWaalsContact C-O 3.32Å; N72-C88 CarbonylContact O-C 3.59Å; N72-C88 VanDerWaalsContact O-CA 3.29Å; N72-C88 WeakPolarHBondContact O-CA 3.49Å; N72-G89 PolarHBondContact O-N 2.96Å; N72-G90 WeakPolarHBondContact O-CA 3.5Å; N72-G90 PolarHBondContact O-N 3.33Å; N72-W91 HydrophobicContact CB-CB 4.21Å; N72-W91 PolarHBondContact O-N 3.4Å; N72-R94 PolarHBondContact OD1-NH2 2.79Å; N72-Q692 HydrophobicContact CB-CG 4.28Å
73	M	98.5	Very high	98.5	Very high	23 Å²	23	51 Å²	51	11%	0.113	29%	0.286	C	S	.	.			trans	-75.3	159.6	-179.1	71	-176.5	-61.7	0	0	113.6	L69 I70 Q71 A75 Y86 A87 I678 L688	L69-M73 WeakPolarHBondContact O-CG 3.44Å; L69-M73 PolarHBondContact O-N 3.49Å; L69-M73 VanDerWaalsContact O-N 3.16Å; I70-M73 WeakPolarHBondContact O-CG 3.45Å; Q71-M73 PolarHBondContact O-N 3.37Å; M73-A75 HydrophobicContact CE-CB 4.19Å; M73-Y86 CarbonylContact C-O 3.13Å; M73-Y86 WeakPolarHBondContact CA-O 3.37Å; M73-Y86 WeakPolarHBondContact CB-O 3.41Å; M73-Y86 HydrophobicContact CE-CD2 4.38Å; M73-Y86 HydrophobicContact CE-CE1 3.97Å; M73-Y86 HydrophobicContact CE-CE2 3.54Å; M73-Y86 WeakPolarHBondContact CE-OH 3.33Å; M73-A87 WeakPolarHBondContact CA-O 3.49Å; M73-A87 PolarHBondContact N-O 3.2Å; M73-I678 HydrophobicContact SD-CD1 3.97Å; M73-L688 HydrophobicContact CB-CD1 4.48Å; M73-L688 HydrophobicContact SD-CD2 4.26Å
74	D	98.6	Very high	98.5	Very high	55 Å²	55	47.6 Å²	47.6	29%	0.294	27%	0.268	S	S	.	.			trans	-120.7	96.1	166.2	-177.2	-3.3	0	0	0	109	S76 V77 Y86	D74-S76 PolarHBondContact O-N 2.83Å; D74-S76 VanDerWaalsContact O-N 3.12Å; D74-S76 WeakPolarHBondContact OD1-CB 3.23Å; D74-S76 PolarHBondContact OD1-N 3.49Å; D74-S76 PolarHBondContact OD1-OG 3.28Å; D74-S76 PolarHBondContact OD2-OG 3.1Å; D74-V77 HydrophobicContact CB-CG2 4.34Å; D74-V77 PolarHBondContact O-N 3.48Å; D74-Y86 PolarHBondContact N-O 3.29Å
75	A	97.7	Very high	98.6	Very high	81 Å²	81	45.8 Å²	45.8	67%	0.669	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-6.4	-178.7	0	0	0	0	0	114	M73 V77	M73-A75 HydrophobicContact CE-CB 4.19Å; A75-V77 VanDerWaalsContact C-N 3.3Å
76	S	98.3	Very high	98.6	Very high	104 Å²	104	46.1 Å²	46.1	73%	0.727	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.8	174.2	74.5	0	0	0	0	113.3	D74	D74-S76 PolarHBondContact O-N 2.83Å; D74-S76 VanDerWaalsContact O-N 3.12Å; D74-S76 WeakPolarHBondContact OD1-CB 3.23Å; D74-S76 PolarHBondContact OD1-N 3.49Å; D74-S76 PolarHBondContact OD1-OG 3.28Å; D74-S76 PolarHBondContact OD2-OG 3.1Å
77	V	98.6	Very high	98.6	Very high	37 Å²	37	46 Å²	46	22%	0.224	26%	0.258	C	S	.	.	S	Bend	trans	-92.7	133.9	177.5	179.3	0	0	0	0	110	D74 A75 P79 K85 Y86	D74-V77 HydrophobicContact CB-CG2 4.34Å; D74-V77 PolarHBondContact O-N 3.48Å; A75-V77 VanDerWaalsContact C-N 3.3Å; V77-P79 WeakPolarHBondContact O-CD 3.2Å; V77-K85 HydrophobicContact CG1-CB 3.91Å; V77-K85 HydrophobicContact CG2-CB 4.23Å; V77-Y86 WeakPolarHBondContact O-CD2 3.26Å
78	E	98.5	Very high	98.6	Very high	108 Å²	108	44.2 Å²	44.2	51%	0.505	24%	0.244	S	C	.	.			trans	-70.1	119.9	176.3	179.8	59	-138.4	0	0	110.6	C80 T81 D82	E78-C80 HydrophobicContact CG-CB 4.47Å; E78-C80 PolarHBondContact O-N 3.49Å; E78-C80 VanDerWaalsContact O-N 3.12Å; E78-T81 WeakPolarHBondContact O-CB 3.24Å; E78-T81 PolarHBondContact O-N 3.41Å; E78-D82 PolarHBondContact O-N 2.97Å
79	P	98.6	Very high	98.6	Very high	17 Å²	17	42.5 Å²	42.5	11%	0.11	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.5	-175.3	20.9	-33.5	0	0	0	113.6	V77 T81 F83 Y86 F733	V77-P79 WeakPolarHBondContact O-CD 3.2Å; P79-T81 VanDerWaalsContact C-N 3.31Å; P79-F83 HydrophobicContact CB-CD2 3.63Å; P79-F83 HydrophobicContact CB-CE2 3.83Å; P79-Y86 HydrophobicContact CB-CD1 3.93Å; P79-Y86 HydrophobicContact CB-CD2 4.23Å; P79-Y86 HydrophobicContact CB-CE1 4.18Å; P79-Y86 HydrophobicContact CB-CE2 4.44Å; P79-Y86 HydrophobicContact CB-CG 3.92Å; P79-Y86 HydrophobicContact CG-CE2 4.47Å; P79-F733 HydrophobicContact CB-CD1 3.71Å; P79-F733 HydrophobicContact CB-CE1 4.13Å; P79-F733 HydrophobicContact CB-CG 4.37Å; P79-F733 HydrophobicContact CG-CD1 3.73Å; P79-F733 HydrophobicContact CG-CE1 4.37Å
80	C	98.8	Very high	98.6	Very high	9 Å²	9	43 Å²	43	6%	0.061	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-6	177.8	-59.3	0	0	0	0	114.2	E78 C735 M741	E78-C80 HydrophobicContact CG-CB 4.47Å; E78-C80 PolarHBondContact O-N 3.49Å; E78-C80 VanDerWaalsContact O-N 3.12Å; C80-C735 VanDerWaalsContact CA-SG 3.6Å; C80-C735 HydrophobicContact CB-CB 3.66Å; C80-C735 WeakPolarHBondContact CB-SG 3.08Å; C80-C735 WeakPolarHBondContact SG-CA 3.45Å; C80-C735 WeakPolarHBondContact SG-CB 3.45Å; C80-C735 CovalentContact SG-SG 2.04Å; C80-C735 PolarHBondContact SG-SG 2.8Å; C80-M741 WeakPolarHBondContact O-CB 3.3Å; C80-M741 WeakPolarHBondContact O-CG 3.47Å; C80-M741 PolarHBondContact O-N 2.72Å
81	T	98.8	Very high	98.6	Very high	85 Å²	85	39.8 Å²	39.8	52%	0.521	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-47.1	176.6	-59.1	0	0	0	0	111.7	E78 P79 Y740	E78-T81 WeakPolarHBondContact O-CB 3.24Å; E78-T81 PolarHBondContact O-N 3.41Å; P79-T81 VanDerWaalsContact C-N 3.31Å; T81-Y740 WeakPolarHBondContact O-CB 2.96Å; T81-Y740 WeakPolarHBondContact O-CD1 3.27Å
82	D	98.7	Very high	98.7	Very high	39 Å²	39	36.5 Å²	36.5	21%	0.209	21%	0.214	C	C	.	.			trans	-153.8	99.5	173.8	-175.3	-29.6	0	0	0	108.9	E78 F84 K85 Y86	E78-D82 PolarHBondContact O-N 2.97Å; D82-F84 VanDerWaalsContact C-N 3.28Å; D82-F84 PolarHBondContact O-N 3.18Å; D82-F84 WeakPolarHBondContact OD1-CA 3.3Å; D82-F84 WeakPolarHBondContact OD1-CB 3.36Å; D82-F84 PolarHBondContact OD1-N 2.94Å; D82-K85 HydrophobicContact CB-CB 4.08Å; D82-K85 HydrophobicContact CB-CG 4.17Å; D82-K85 VanDerWaalsContact CG-CG 3.42Å; D82-K85 PolarHBondContact O-N 3.15Å; D82-K85 PolarHBondContact OD1-N 2.51Å; D82-K85 WeakPolarHBondContact OD2-CG 3.24Å; D82-Y86 PolarHBondContact O-N 2.96Å
83	F	98.9	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-71.7	-24.2	-176.5	-160.6	-105.1	0	0	0	112.9	P79 Y86 A87 F687 A691 I719 L723 F729 F733 M741	P79-F83 HydrophobicContact CB-CD2 3.63Å; P79-F83 HydrophobicContact CB-CE2 3.83Å; F83-Y86 AromaticContact CD2-CD1 3.81Å; F83-Y86 HydrophobicContact CD2-CD1 3.81Å; F83-Y86 AromaticContact CE2-CD1 3.48Å; F83-Y86 HydrophobicContact CE2-CD1 3.48Å; F83-Y86 VanDerWaalsContact CE2-CD1 3.48Å; F83-Y86 AromaticContact CE2-CE1 3.77Å; F83-Y86 HydrophobicContact CE2-CE1 3.77Å; F83-Y86 HydrophobicContact CZ-CD1 4.1Å; F83-Y86 HydrophobicContact CZ-CE1 4.28Å; F83-A87 HydrophobicContact CD1-CB 4.43Å; F83-A87 HydrophobicContact CE1-CB 4.33Å; F83-A87 WeakPolarHBondContact O-CB 3.2Å; F83-A87 PolarHBondContact O-N 3.33Å; F83-F687 HydrophobicContact CE1-CB 4.37Å; F83-F687 WeakPolarHBondContact CE1-O 3.48Å; F83-F687 HydrophobicContact CZ-CB 4.27Å; F83-A691 HydrophobicContact CD1-CB 3.75Å; F83-A691 HydrophobicContact CE1-CB 3.56Å; F83-I719 HydrophobicContact CD1-CG2 4.04Å; F83-L723 HydrophobicContact CB-CD1 4.25Å; F83-L723 HydrophobicContact CD1-CD1 3.19Å; F83-L723 HydrophobicContact CE1-CD1 3.68Å; F83-L723 HydrophobicContact CG-CD1 3.89Å; F83-F729 HydrophobicContact CB-CZ 4.09Å; F83-F729 HydrophobicContact CD1-CE2 4.05Å; F83-F729 HydrophobicContact CD1-CZ 4.44Å; F83-F729 AromaticContact CD2-CE2 3.49Å; F83-F729 HydrophobicContact CD2-CE2 3.49Å; F83-F729 VanDerWaalsContact CD2-CE2 3.49Å; F83-F729 AromaticContact CD2-CZ 3.49Å; F83-F729 HydrophobicContact CD2-CZ 3.49Å; F83-F729 VanDerWaalsContact CD2-CZ 3.49Å; F83-F729 HydrophobicContact CE1-CE2 4.04Å; F83-F729 AromaticContact CE2-CE2 3.52Å; F83-F729 HydrophobicContact CE2-CE2 3.52Å; F83-F729 AromaticContact CE2-CZ 3.97Å; F83-F729 HydrophobicContact CE2-CZ 3.97Å; F83-F729 AromaticContact CG-CE2 3.76Å; F83-F729 HydrophobicContact CG-CE2 3.76Å; F83-F729 AromaticContact CG-CZ 3.75Å; F83-F729 HydrophobicContact CG-CZ 3.75Å; F83-F729 AromaticContact CZ-CE2 3.79Å; F83-F729 HydrophobicContact CZ-CE2 3.79Å; F83-F733 HydrophobicContact CE2-CD1 4.23Å; F83-F733 HydrophobicContact CE2-CD2 4.26Å; F83-F733 AromaticContact CE2-CE1 3.74Å; F83-F733 HydrophobicContact CE2-CE1 3.74Å; F83-F733 AromaticContact CE2-CE2 3.78Å; F83-F733 HydrophobicContact CE2-CE2 3.78Å; F83-F733 HydrophobicContact CE2-CG 4.47Å; F83-F733 AromaticContact CE2-CZ 3.49Å; F83-F733 HydrophobicContact CE2-CZ 3.49Å; F83-F733 VanDerWaalsContact CE2-CZ 3.49Å; F83-F733 HydrophobicContact CZ-CE1 4.32Å; F83-F733 AromaticContact CZ-CE2 3.86Å; F83-F733 HydrophobicContact CZ-CE2 3.86Å; F83-F733 AromaticContact CZ-CZ 3.64Å; F83-F733 HydrophobicContact CZ-CZ 3.64Å; F83-M741 HydrophobicContact CB-CE 3.65Å; F83-M741 HydrophobicContact CB-CG 4.35Å; F83-M741 HydrophobicContact CB-SD 4.13Å
84	F	98.9	Very high	98.6	Very high	17 Å²	17	50 Å²	50	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-67.6	-46.3	173.8	167	-119	0	0	0	110.5	D82 A87 C88 L92 N716 I719 I720	D82-F84 VanDerWaalsContact C-N 3.28Å; D82-F84 PolarHBondContact O-N 3.18Å; D82-F84 WeakPolarHBondContact OD1-CA 3.3Å; D82-F84 WeakPolarHBondContact OD1-CB 3.36Å; D82-F84 PolarHBondContact OD1-N 2.94Å; F84-A87 PolarHBondContact O-N 3.35Å; F84-C88 HydrophobicContact CD2-CB 3.91Å; F84-C88 HydrophobicContact CE2-CB 3.77Å; F84-C88 WeakPolarHBondContact O-CA 3.44Å; F84-C88 VanDerWaalsContact O-CB 3.26Å; F84-C88 WeakPolarHBondContact O-CB 3.4Å; F84-C88 PolarHBondContact O-N 3.38Å; F84-L92 HydrophobicContact CE1-CD1 3.84Å; F84-L92 HydrophobicContact CE2-CD1 4.44Å; F84-L92 HydrophobicContact CZ-CD1 3.72Å; F84-L92 HydrophobicContact CZ-CD2 4.2Å; F84-L92 HydrophobicContact CZ-CG 4.42Å; F84-N716 HydrophobicContact CB-CB 4.45Å; 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 4.02Å; F84-N716 HydrophobicContact CG-CB 3.74Å; F84-N716 HydrophobicContact CZ-CB 3.81Å; F84-I719 HydrophobicContact CB-CD1 4.16Å; F84-I719 HydrophobicContact CB-CG2 4.49Å; F84-I719 HydrophobicContact CD2-CD1 3.5Å; F84-I719 VanDerWaalsContact CD2-CD1 3.5Å; F84-I719 HydrophobicContact CE2-CD1 4.33Å; F84-I719 HydrophobicContact CG-CD1 4.26Å; F84-I720 HydrophobicContact CB-CD1 4.33Å; F84-I720 HydrophobicContact CB-CG1 4.38Å
85	K	98.8	Very high	98.6	Very high	96 Å²	96	49.6 Å²	49.6	42%	0.417	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-40	175.6	-67.8	-67.4	-177.9	-173.3	0	111.9	V77 D82 G89 L92	V77-K85 HydrophobicContact CG1-CB 3.91Å; V77-K85 HydrophobicContact CG2-CB 4.23Å; D82-K85 HydrophobicContact CB-CB 4.08Å; D82-K85 HydrophobicContact CB-CG 4.17Å; D82-K85 VanDerWaalsContact CG-CG 3.42Å; D82-K85 PolarHBondContact O-N 3.15Å; D82-K85 PolarHBondContact OD1-N 2.51Å; D82-K85 WeakPolarHBondContact OD2-CG 3.24Å; K85-G89 WeakPolarHBondContact O-CA 3.38Å; K85-G89 PolarHBondContact O-N 2.91Å; K85-L92 HydrophobicContact CD-CD1 4.35Å
86	Y	98.9	Very high	98.6	Very high	18 Å²	18	51.7 Å²	51.7	7%	0.071	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-49	172.3	173.3	-101.6	0	0	0	112.3	M73 D74 V77 P79 D82 F83 L688 F733	M73-Y86 CarbonylContact C-O 3.13Å; M73-Y86 WeakPolarHBondContact CA-O 3.37Å; M73-Y86 WeakPolarHBondContact CB-O 3.41Å; M73-Y86 HydrophobicContact CE-CD2 4.38Å; M73-Y86 HydrophobicContact CE-CE1 3.97Å; M73-Y86 HydrophobicContact CE-CE2 3.54Å; M73-Y86 WeakPolarHBondContact CE-OH 3.33Å; D74-Y86 PolarHBondContact N-O 3.29Å; V77-Y86 WeakPolarHBondContact O-CD2 3.26Å; P79-Y86 HydrophobicContact CB-CD1 3.93Å; P79-Y86 HydrophobicContact CB-CD2 4.23Å; P79-Y86 HydrophobicContact CB-CE1 4.18Å; P79-Y86 HydrophobicContact CB-CE2 4.44Å; P79-Y86 HydrophobicContact CB-CG 3.92Å; P79-Y86 HydrophobicContact CG-CE2 4.47Å; D82-Y86 PolarHBondContact O-N 2.96Å; F83-Y86 AromaticContact CD2-CD1 3.81Å; F83-Y86 HydrophobicContact CD2-CD1 3.81Å; F83-Y86 AromaticContact CE2-CD1 3.48Å; F83-Y86 HydrophobicContact CE2-CD1 3.48Å; F83-Y86 VanDerWaalsContact CE2-CD1 3.48Å; F83-Y86 AromaticContact CE2-CE1 3.77Å; F83-Y86 HydrophobicContact CE2-CE1 3.77Å; F83-Y86 HydrophobicContact CZ-CD1 4.1Å; F83-Y86 HydrophobicContact CZ-CE1 4.28Å; Y86-L688 HydrophobicContact CD1-CD1 4.45Å; Y86-L688 HydrophobicContact CE1-CD1 4.16Å; Y86-F733 HydrophobicContact CE1-CE1 4.11Å
87	A	98.9	Very high	98.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-77.1	-28.9	-174.1	0	0	0	0	0	114.2	N72 M73 F83 F84 L688 A691 Q692	N72-A87 CarbonylContact C-O 3.53Å; N72-A87 VanDerWaalsContact C-O 3.32Å; M73-A87 WeakPolarHBondContact CA-O 3.49Å; M73-A87 PolarHBondContact N-O 3.2Å; F83-A87 HydrophobicContact CD1-CB 4.43Å; F83-A87 HydrophobicContact CE1-CB 4.33Å; F83-A87 WeakPolarHBondContact O-CB 3.2Å; F83-A87 PolarHBondContact O-N 3.33Å; F84-A87 PolarHBondContact O-N 3.35Å; A87-L688 HydrophobicContact CB-CD1 3.75Å; A87-A691 HydrophobicContact CB-CB 3.48Å; A87-A691 VanDerWaalsContact CB-CB 3.48Å; A87-Q692 HydrophobicContact CB-CG 4.45Å; A87-Q692 WeakPolarHBondContact O-CG 3.41Å; A87-Q692 PolarHBondContact O-NE2 3.12Å
88	C	98.9	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-124.6	-3	-169.5	-60.5	0	0	0	0	114.9	N72 F84 G90 W91 L92 C695	N72-C88 CarbonylContact O-C 3.59Å; N72-C88 VanDerWaalsContact O-CA 3.29Å; N72-C88 WeakPolarHBondContact O-CA 3.49Å; F84-C88 HydrophobicContact CD2-CB 3.91Å; F84-C88 HydrophobicContact CE2-CB 3.77Å; F84-C88 WeakPolarHBondContact O-CA 3.44Å; F84-C88 VanDerWaalsContact O-CB 3.26Å; F84-C88 WeakPolarHBondContact O-CB 3.4Å; F84-C88 PolarHBondContact O-N 3.38Å; C88-G90 VanDerWaalsContact C-N 3.29Å; C88-G90 PolarHBondContact O-N 3.06Å; C88-W91 WeakPolarHBondContact O-CA 3.49Å; C88-W91 WeakPolarHBondContact O-CB 3.25Å; C88-W91 PolarHBondContact O-N 3.35Å; C88-L92 HydrophobicContact CB-CD1 4.48Å; C88-L92 WeakPolarHBondContact O-CG 3.39Å; C88-L92 PolarHBondContact O-N 3.41Å; C88-C695 WeakPolarHBondContact CA-SG 3.22Å; C88-C695 HydrophobicContact CB-CB 3.8Å; C88-C695 WeakPolarHBondContact CB-SG 3.33Å; C88-C695 WeakPolarHBondContact SG-CA 3.16Å; C88-C695 WeakPolarHBondContact SG-CB 3.37Å; C88-C695 CovalentContact SG-SG 2.04Å; C88-C695 PolarHBondContact SG-SG 2.91Å
89	G	98.8	Very high	98.6	Very high	10 Å²	10	47.2 Å²	47.2	10%	0.103	24%	0.239	C	C	.	.	H	α-helix	trans	-58.7	-38.7	-174.5	0	0	0	0	0	113.5	N72 K85 L92 K93	N72-G89 PolarHBondContact O-N 2.96Å; K85-G89 WeakPolarHBondContact O-CA 3.38Å; K85-G89 PolarHBondContact O-N 2.91Å; G89-L92 PolarHBondContact O-N 3.32Å; G89-K93 WeakPolarHBondContact O-CB 3.39Å; G89-K93 PolarHBondContact O-N 2.98Å
90	G	98.8	Very high	98.6	Very high	10 Å²	10	48.8 Å²	48.8	10%	0.103	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-42.1	173.2	0	0	0	0	0	112.5	N72 C88 K93 R94	N72-G90 WeakPolarHBondContact O-CA 3.5Å; N72-G90 PolarHBondContact O-N 3.33Å; C88-G90 VanDerWaalsContact C-N 3.29Å; C88-G90 PolarHBondContact O-N 3.06Å; G90-K93 PolarHBondContact O-N 3.1Å; G90-R94 VanDerWaalsContact O-CZ 3.26Å; G90-R94 PolarHBondContact O-N 3.43Å; G90-R94 PolarHBondContact O-NH1 2.89Å
91	W	98.7	Very high	98.5	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.019	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-47.3	175.2	-173.6	99.8	0	0	0	111.4	N72 C88 K93 R94 N95 Y104 N106 I109 C695 T697	N72-W91 HydrophobicContact CB-CB 4.21Å; N72-W91 PolarHBondContact O-N 3.4Å; C88-W91 WeakPolarHBondContact O-CA 3.49Å; C88-W91 WeakPolarHBondContact O-CB 3.25Å; C88-W91 PolarHBondContact O-N 3.35Å; W91-K93 VanDerWaalsContact C-N 3.27Å; W91-K93 PolarHBondContact O-N 3.31Å; W91-R94 PolarHBondContact O-N 3.07Å; W91-N95 HydrophobicContact CD2-CB 4.27Å; W91-N95 HydrophobicContact CE3-CB 4.28Å; W91-N95 HydrophobicContact CH2-CB 3.95Å; W91-N95 HydrophobicContact CZ2-CB 3.99Å; W91-N95 HydrophobicContact CZ3-CB 4.12Å; W91-N95 PolarHBondContact NE1-ND2 2.95Å; W91-N95 WeakPolarHBondContact O-CB 3.29Å; W91-N95 PolarHBondContact O-N 2.71Å; W91-N95 PolarHBondContact O-ND2 2.82Å; W91-Y104 AromaticContact CH2-CD1 3.86Å; W91-Y104 HydrophobicContact CH2-CD1 3.86Å; W91-Y104 HydrophobicContact CH2-CG 4.47Å; W91-Y104 WeakPolarHBondContact CH2-O 3.34Å; W91-Y104 AromaticContact CZ2-CD1 3.78Å; W91-Y104 HydrophobicContact CZ2-CD1 3.78Å; W91-Y104 HydrophobicContact CZ2-CE1 4.27Å; W91-N106 PolarHBondContact NE1-OD1 3.06Å; W91-I109 HydrophobicContact CZ2-CD1 4.09Å; W91-C695 HydrophobicContact CB-CB 4.43Å; W91-C695 HydrophobicContact CD2-CB 4.23Å; W91-C695 HydrophobicContact CG-CB 4.16Å; W91-T697 HydrophobicContact CZ3-CG2 4.29Å
92	L	98.6	Very high	98.5	Very high	40 Å²	40	46.5 Å²	46.5	21%	0.209	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-33.7	179.7	-68	168.7	0	0	0	112.5	F84 K85 C88 G89 T697	F84-L92 HydrophobicContact CE1-CD1 3.84Å; F84-L92 HydrophobicContact CE2-CD1 4.44Å; F84-L92 HydrophobicContact CZ-CD1 3.72Å; F84-L92 HydrophobicContact CZ-CD2 4.2Å; F84-L92 HydrophobicContact CZ-CG 4.42Å; K85-L92 HydrophobicContact CD-CD1 4.35Å; C88-L92 HydrophobicContact CB-CD1 4.48Å; C88-L92 WeakPolarHBondContact O-CG 3.39Å; C88-L92 PolarHBondContact O-N 3.41Å; G89-L92 PolarHBondContact O-N 3.32Å; L92-T697 HydrophobicContact CD2-CG2 4.49Å
93	K	98.4	Very high	98.5	Very high	190 Å²	190	46.5 Å²	46.5	83%	0.826	23%	0.233	S	C	*	.	H	α-helix	trans	-72.9	-30.5	178	-173.5	175.6	-179.2	178.7	0	113.1	G89 G90 W91	G89-K93 WeakPolarHBondContact O-CB 3.39Å; G89-K93 PolarHBondContact O-N 2.98Å; G90-K93 PolarHBondContact O-N 3.1Å; W91-K93 VanDerWaalsContact C-N 3.27Å; W91-K93 PolarHBondContact O-N 3.31Å
94	R	98.3	Very high	98.5	Very high	130 Å²	130	48.3 Å²	48.3	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-92.5	-24.9	-176.4	-71.9	-168.7	-58.6	-79.7	-10.1	114	Q71 N72 G90 W91	Q71-R94 PolarHBondContact O-NH1 2.89Å; Q71-R94 PolarHBondContact O-NH2 3.37Å; N72-R94 PolarHBondContact OD1-NH2 2.79Å; G90-R94 VanDerWaalsContact O-CZ 3.26Å; G90-R94 PolarHBondContact O-N 3.43Å; G90-R94 PolarHBondContact O-NH1 2.89Å; W91-R94 PolarHBondContact O-N 3.07Å
95	N	97.9	Very high	98.4	Very high	46 Å²	46	47.9 Å²	47.9	25%	0.246	24%	0.24	C	C	.	.			trans	-104.2	139.4	-173.3	-68.2	-82.3	0	0	0	111.6	W91 Y104	W91-N95 HydrophobicContact CD2-CB 4.27Å; W91-N95 HydrophobicContact CE3-CB 4.28Å; W91-N95 HydrophobicContact CH2-CB 3.95Å; W91-N95 HydrophobicContact CZ2-CB 3.99Å; W91-N95 HydrophobicContact CZ3-CB 4.12Å; W91-N95 PolarHBondContact NE1-ND2 2.95Å; W91-N95 WeakPolarHBondContact O-CB 3.29Å; W91-N95 PolarHBondContact O-N 2.71Å; W91-N95 PolarHBondContact O-ND2 2.82Å; N95-Y104 HydrophobicContact CB-CD1 4.45Å
96	V	98.1	Very high	98.3	Very high	125 Å²	125	44.1 Å²	44.1	76%	0.758	22%	0.224	S	C	*	.			trans	-118.5	139.6	168.7	179.3	0	0	0	0	106.8	P98	V96-P98 VanDerWaalsContact O-CD 3.31Å; V96-P98 WeakPolarHBondContact O-CD 3.48Å
97	I	98.6	Very high	98.2	Very high	21 Å²	21	44.1 Å²	44.1	11%	0.108	23%	0.225	C	C	.	.			trans	-60.7	123	177.9	-54.5	176	0	0	0	108.5	S101 T697 R699	I97-S101 WeakPolarHBondContact CG2-O 3.23Å; I97-T697 HydrophobicContact CD1-CG2 3.88Å; I97-T697 HydrophobicContact CG1-CG2 3.66Å; I97-R699 HydrophobicContact CD1-CG 3.73Å; I97-R699 HydrophobicContact CG2-CG 4.12Å; I97-R699 PolarHBondContact O-NH2 3.32Å; I97-R699 VanDerWaalsContact O-NH2 3.09Å
98	P	98.4	Very high	98.1	Very high	42 Å²	42	45.1 Å²	45.1	27%	0.273	23%	0.23	S	C	.	.			trans	-56.3	151.9	175.3	-26	34.7	0	0	0	112.3	V96 T100 S101 Y104 R699	V96-P98 VanDerWaalsContact O-CD 3.31Å; V96-P98 WeakPolarHBondContact O-CD 3.48Å; P98-T100 PolarHBondContact O-N 3.41Å; P98-T100 VanDerWaalsContact O-N 3.07Å; P98-S101 PolarHBondContact O-N 3.19Å; P98-Y104 HydrophobicContact CG-CD2 3.96Å; P98-Y104 HydrophobicContact CG-CE2 3.88Å; P98-Y104 HydrophobicContact CG-CG 4.35Å; P98-R699 PolarHBondContact O-NH2 3.45Å
99	E	98.3	Very high	98.1	Very high	92 Å²	92	46.7 Å²	46.7	43%	0.43	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.5	-177.8	-72.6	-53.6	102.2	0	0	114.2	T401 T402 S403 R699	E99-T401 CarbonylContact O-C 3.52Å; E99-T401 WeakPolarHBondContact O-CA 3.44Å; E99-T401 WeakPolarHBondContact O-CB 3.27Å; E99-T402 WeakPolarHBondContact CB-OG1 3.45Å; E99-T402 PolarHBondContact O-N 2.99Å; E99-T402 WeakPolarHBondContact OE2-CG2 3.43Å; E99-T402 PolarHBondContact OE2-OG1 3.11Å; E99-S403 PolarHBondContact O-N 2.85Å; E99-R699 IonicContact OE1-CZ 2.96Å; E99-R699 IonicContact OE1-NH1 2.8Å; E99-R699 IonicContact OE1-NH2 3.75Å; E99-R699 PolarHBondContact OE1-NH2 2.93Å
100	T	97.6	Very high	98	Very high	49 Å²	49	46.7 Å²	46.7	30%	0.301	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-5.4	178.5	57.7	0	0	0	0	113.5	P98 T401 E404	P98-T100 PolarHBondContact O-N 3.41Å; P98-T100 VanDerWaalsContact O-N 3.07Å; T100-T401 VanDerWaalsContact C-CG2 3.48Å; T100-T401 WeakPolarHBondContact O-CG2 3.31Å; T100-E404 WeakPolarHBondContact CG2-O 3.45Å
101	S	98.3	Very high	98	Very high	19 Å²	19	50.2 Å²	50.2	13%	0.133	25%	0.246	C	C	.	.			trans	-115.7	137	-171.5	-50.3	0	0	0	0	110.8	I97 P98 R103 T401 R699	I97-S101 WeakPolarHBondContact CG2-O 3.23Å; P98-S101 PolarHBondContact O-N 3.19Å; S101-R103 WeakPolarHBondContact CB-O 3.49Å; S101-T401 VanDerWaalsContact C-CG2 3.47Å; S101-R699 WeakPolarHBondContact O-CD 3.43Å; S101-R699 PolarHBondContact O-NE 2.65Å
102	S	97.8	Very high	98	Very high	27 Å²	27	51.9 Å²	51.9	19%	0.189	26%	0.255	C	S	.	.	S	Bend	trans	-89.3	-25.5	179	66	0	0	0	0	112.6	Y399 R699 Y702	S102-Y399 WeakPolarHBondContact CA-O 3.42Å; S102-Y399 WeakPolarHBondContact CB-O 3.06Å; S102-R699 WeakPolarHBondContact O-CB 3.36Å; S102-R699 PolarHBondContact O-N 2.92Å; S102-Y702 VanDerWaalsContact CB-CG 3.49Å; S102-Y702 WeakPolarHBondContact O-CD1 3.44Å; S102-Y702 WeakPolarHBondContact OG-CD1 3.26Å
103	R	98.3	Very high	98	Very high	39 Å²	39	54.9 Å²	54.9	15%	0.147	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.1	169	177.9	-171.4	65	-134.4	-8.2	107.4	S101 D108 T697 Y698 Y702	S101-R103 WeakPolarHBondContact CB-O 3.49Å; R103-D108 IonicContact CZ-OD1 2.81Å; R103-D108 IonicContact CZ-OD2 3.02Å; R103-D108 IonicContact NE-OD1 3.52Å; R103-D108 IonicContact NE-OD2 3.27Å; R103-D108 PolarHBondContact NE-OD2 2.77Å; R103-D108 IonicContact NH2-OD1 3.7Å; R103-D108 PolarHBondContact NH2-OD1 3.43Å; R103-D108 IonicContact NH2-OD2 3.86Å; R103-T697 WeakPolarHBondContact CA-O 3.29Å; R103-T697 WeakPolarHBondContact CG-O 3.36Å; R103-Y698 HydrophobicContact CB-CD1 4Å; R103-Y698 HydrophobicContact CB-CE1 4.31Å; R103-Y698 HydrophobicContact CB-CG 4.27Å; R103-Y698 WeakPolarHBondContact CD-OH 3.4Å; R103-Y698 HydrophobicContact CG-CD1 3.9Å; R103-Y698 HydrophobicContact CG-CD2 4.01Å; R103-Y698 HydrophobicContact CG-CE1 3.92Å; R103-Y698 HydrophobicContact CG-CE2 3.98Å; R103-Y698 HydrophobicContact CG-CG 3.95Å; R103-Y702 HydrophobicContact CB-CD1 3.97Å; R103-Y702 HydrophobicContact CB-CE1 3.9Å
104	Y	98.4	Very high	98	Very high	38 Å²	38	46.2 Å²	46.2	15%	0.149	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.6	167	-159	-123.7	0	0	0	109.3	W91 N95 P98 D108 I109 G696 T697	W91-Y104 AromaticContact CH2-CD1 3.86Å; W91-Y104 HydrophobicContact CH2-CD1 3.86Å; W91-Y104 HydrophobicContact CH2-CG 4.47Å; W91-Y104 WeakPolarHBondContact CH2-O 3.34Å; W91-Y104 AromaticContact CZ2-CD1 3.78Å; W91-Y104 HydrophobicContact CZ2-CD1 3.78Å; W91-Y104 HydrophobicContact CZ2-CE1 4.27Å; N95-Y104 HydrophobicContact CB-CD1 4.45Å; P98-Y104 HydrophobicContact CG-CD2 3.96Å; P98-Y104 HydrophobicContact CG-CE2 3.88Å; P98-Y104 HydrophobicContact CG-CG 4.35Å; Y104-D108 HydrophobicContact CD2-CB 4.23Å; Y104-I109 HydrophobicContact CE1-CD1 4.05Å; Y104-I109 HydrophobicContact CE1-CG1 3.89Å; Y104-I109 HydrophobicContact CE2-CG1 4.01Å; Y104-I109 WeakPolarHBondContact OH-CG1 3.16Å; Y104-G696 CarbonylContact O-C 3.59Å; Y104-G696 WeakPolarHBondContact O-CA 3.42Å; Y104-T697 PolarHBondContact N-O 3.45Å; Y104-T697 PolarHBondContact O-N 3.42Å
105	S	97.6	Very high	98	Very high	9 Å²	9	40.9 Å²	40.9	6%	0.063	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	174.1	-175.5	68	0	0	0	0	110.4	F107 D108 I109 C695	S105-F107 PolarHBondContact O-N 3.2Å; S105-F107 PolarHBondContact OG-N 3.16Å; S105-D108 WeakPolarHBondContact CB-OD2 3.27Å; S105-D108 PolarHBondContact N-OD2 3.34Å; S105-D108 PolarHBondContact O-N 2.9Å; S105-D108 VanDerWaalsContact OG-CG 3.29Å; S105-D108 PolarHBondContact OG-N 2.79Å; S105-D108 PolarHBondContact OG-OD2 3.02Å; S105-I109 WeakPolarHBondContact O-CG1 3.4Å; S105-I109 PolarHBondContact O-N 2.67Å; S105-C695 CarbonylContact C-O 3.26Å; S105-C695 WeakPolarHBondContact CA-O 3.29Å; S105-C695 VanDerWaalsContact CB-O 3.28Å; S105-C695 WeakPolarHBondContact CB-O 3.28Å
106	N	96.6	Very high	98	Very high	16 Å²	16	41.5 Å²	41.5	9%	0.086	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-30.7	173.2	-75.5	-14.2	0	0	0	112.9	W91 L110 Q692 C695	W91-N106 PolarHBondContact NE1-OD1 3.06Å; N106-L110 WeakPolarHBondContact O-CG 3.39Å; N106-L110 PolarHBondContact O-N 2.91Å; N106-L110 VanDerWaalsContact O-N 3.14Å; N106-Q692 PolarHBondContact ND2-O 3.36Å; N106-C695 PolarHBondContact N-O 2.87Å
107	F	96.8	Very high	98	Very high	19 Å²	19	37.9 Å²	37.9	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-43.1	169.8	-82.8	-94.9	0	0	0	111.9	S105 L110 R111 V542 I559 F564 V693 W694	S105-F107 PolarHBondContact O-N 3.2Å; S105-F107 PolarHBondContact OG-N 3.16Å; F107-L110 PolarHBondContact O-N 3.42Å; F107-R111 VanDerWaalsContact O-CG 3.29Å; F107-R111 WeakPolarHBondContact O-CG 3.13Å; F107-R111 PolarHBondContact O-N 3.2Å; F107-V542 HydrophobicContact CD1-CG1 4.31Å; F107-I559 HydrophobicContact CE1-CD1 4.4Å; F107-F564 HydrophobicContact CD1-CZ 4.08Å; F107-F564 HydrophobicContact CD2-CZ 4.28Å; F107-F564 HydrophobicContact CE1-CE1 4.16Å; F107-F564 HydrophobicContact CE1-CE2 4.45Å; F107-F564 AromaticContact CE1-CZ 3.55Å; F107-F564 HydrophobicContact CE1-CZ 3.55Å; F107-F564 HydrophobicContact CE2-CE1 4.18Å; F107-F564 AromaticContact CE2-CZ 3.78Å; F107-F564 HydrophobicContact CE2-CZ 3.78Å; F107-F564 HydrophobicContact CG-CZ 4.43Å; F107-F564 AromaticContact CZ-CE1 3.68Å; F107-F564 HydrophobicContact CZ-CE1 3.68Å; F107-F564 AromaticContact CZ-CZ 3.39Å; F107-F564 HydrophobicContact CZ-CZ 3.39Å; F107-V693 HydrophobicContact CD2-CG1 4.45Å; F107-V693 HydrophobicContact CE2-CG1 3.5Å; F107-V693 HydrophobicContact CZ-CG1 4Å; F107-W694 HydrophobicContact CD2-CE3 4.43Å; F107-W694 HydrophobicContact CD2-CZ3 4.38Å; F107-W694 HydrophobicContact CE2-CD2 4.46Å; F107-W694 AromaticContact CE2-CE3 3.76Å; F107-W694 HydrophobicContact CE2-CE3 3.76Å; F107-W694 HydrophobicContact CE2-CH2 4.03Å; F107-W694 AromaticContact CE2-CZ3 3.51Å; F107-W694 HydrophobicContact CE2-CZ3 3.51Å; F107-W694 HydrophobicContact CZ-CH2 4.07Å; F107-W694 AromaticContact CZ-CZ3 3.93Å; F107-W694 HydrophobicContact CZ-CZ3 3.93Å
108	D	97.7	Very high	98	Very high	20 Å²	20	36.9 Å²	36.9	11%	0.107	19%	0.187	C	C	.	.	H	α-helix	trans	-69.5	-36.4	-178.5	-53.4	-58.3	0	0	0	110.7	R103 Y104 S105 R111 D112	R103-D108 IonicContact CZ-OD1 2.81Å; R103-D108 IonicContact CZ-OD2 3.02Å; R103-D108 IonicContact NE-OD1 3.52Å; R103-D108 IonicContact NE-OD2 3.27Å; R103-D108 PolarHBondContact NE-OD2 2.77Å; R103-D108 IonicContact NH2-OD1 3.7Å; R103-D108 PolarHBondContact NH2-OD1 3.43Å; R103-D108 IonicContact NH2-OD2 3.86Å; Y104-D108 HydrophobicContact CD2-CB 4.23Å; S105-D108 WeakPolarHBondContact CB-OD2 3.27Å; S105-D108 PolarHBondContact N-OD2 3.34Å; S105-D108 PolarHBondContact O-N 2.9Å; S105-D108 VanDerWaalsContact OG-CG 3.29Å; S105-D108 PolarHBondContact OG-N 2.79Å; S105-D108 PolarHBondContact OG-OD2 3.02Å; D108-R111 PolarHBondContact O-N 3.01Å; D108-R111 IonicContact OD1-NH1 3.82Å; D108-D112 PolarHBondContact O-N 2.83Å
109	I	98.1	Very high	98	Very high	33 Å²	33	37.1 Å²	37.1	17%	0.169	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-47.7	172.3	-69.7	166.7	0	0	0	111.2	W91 Y104 S105 R111 D112 E113	W91-I109 HydrophobicContact CZ2-CD1 4.09Å; Y104-I109 HydrophobicContact CE1-CD1 4.05Å; Y104-I109 HydrophobicContact CE1-CG1 3.89Å; Y104-I109 HydrophobicContact CE2-CG1 4.01Å; Y104-I109 WeakPolarHBondContact OH-CG1 3.16Å; S105-I109 WeakPolarHBondContact O-CG1 3.4Å; S105-I109 PolarHBondContact O-N 2.67Å; I109-R111 VanDerWaalsContact C-N 3.28Å; I109-R111 PolarHBondContact O-N 3.33Å; I109-D112 WeakPolarHBondContact O-CB 3.5Å; I109-D112 PolarHBondContact O-N 2.82Å; I109-D112 VanDerWaalsContact O-N 3.14Å; I109-E113 WeakPolarHBondContact O-CG 3.32Å; I109-E113 PolarHBondContact O-N 3.29Å
110	L	97.7	Very high	98	Very high	11 Å²	11	37 Å²	37	6%	0.058	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-32.4	179.3	-71.8	174.3	0	0	0	112.7	N106 F107 L114 V542 Q561 F564	N106-L110 WeakPolarHBondContact O-CG 3.39Å; N106-L110 PolarHBondContact O-N 2.91Å; N106-L110 VanDerWaalsContact O-N 3.14Å; F107-L110 PolarHBondContact O-N 3.42Å; L110-L114 VanDerWaalsContact O-CB 3.3Å; L110-L114 WeakPolarHBondContact O-CB 3.33Å; L110-L114 PolarHBondContact O-N 3.04Å; L110-V542 HydrophobicContact CB-CG1 3.95Å; L110-V542 HydrophobicContact CB-CG2 4.25Å; L110-V542 HydrophobicContact CD1-CG1 4.27Å; L110-Q561 HydrophobicContact CD2-CG 4.42Å; L110-F564 HydrophobicContact CD1-CD2 4.07Å; L110-F564 HydrophobicContact CD1-CE2 3.56Å
111	R	98.3	Very high	98	Very high	83 Å²	83	36 Å²	36	31%	0.313	18%	0.18	S	C	.	.	H	α-helix	trans	-66.3	-44.2	171.4	-71.1	169.2	-178.2	173.6	-0.7	110.7	F107 D108 I109 E113 L114 E115 V542	F107-R111 VanDerWaalsContact O-CG 3.29Å; F107-R111 WeakPolarHBondContact O-CG 3.13Å; F107-R111 PolarHBondContact O-N 3.2Å; D108-R111 PolarHBondContact O-N 3.01Å; D108-R111 IonicContact OD1-NH1 3.82Å; I109-R111 VanDerWaalsContact C-N 3.28Å; I109-R111 PolarHBondContact O-N 3.33Å; R111-E113 VanDerWaalsContact C-N 3.28Å; R111-E113 PolarHBondContact O-N 2.89Å; R111-L114 PolarHBondContact O-N 2.96Å; R111-E115 VanDerWaalsContact O-CG 3.28Å; R111-E115 WeakPolarHBondContact O-CG 3.45Å; R111-E115 PolarHBondContact O-N 3.32Å; R111-V542 HydrophobicContact CG-CB 3.84Å; R111-V542 HydrophobicContact CG-CG2 3.98Å; R111-V542 PolarHBondContact NE-O 3.34Å; R111-V542 PolarHBondContact NH2-O 3.26Å; R111-V542 VanDerWaalsContact NH2-O 3.17Å
112	D	98.1	Very high	98	Very high	40 Å²	40	35 Å²	35	21%	0.214	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-36.9	176.7	-75	-15.3	0	0	0	112.1	D108 I109 V116 R409	D108-D112 PolarHBondContact O-N 2.83Å; I109-D112 WeakPolarHBondContact O-CB 3.5Å; I109-D112 PolarHBondContact O-N 2.82Å; I109-D112 VanDerWaalsContact O-N 3.14Å; D112-V116 PolarHBondContact O-N 2.94Å; D112-R409 VanDerWaalsContact CA-NH1 3.34Å; D112-R409 PolarHBondContact O-NH1 3.46Å; D112-R409 IonicContact OD1-NH1 3.07Å
113	E	98.1	Very high	97.8	Very high	103 Å²	103	37 Å²	37	48%	0.481	18%	0.18	S	C	.	.	H	α-helix	trans	-71.8	-42.8	174.9	-71.7	175.8	179.2	0	0	112.2	I109 R111 E115 V116 I117	I109-E113 WeakPolarHBondContact O-CG 3.32Å; I109-E113 PolarHBondContact O-N 3.29Å; R111-E113 VanDerWaalsContact C-N 3.28Å; R111-E113 PolarHBondContact O-N 2.89Å; E113-E115 VanDerWaalsContact C-N 3.29Å; E113-E115 PolarHBondContact O-N 3.09Å; E113-V116 WeakPolarHBondContact O-CB 3.39Å; E113-V116 PolarHBondContact O-N 2.94Å; E113-V116 VanDerWaalsContact O-N 3.14Å; E113-I117 PolarHBondContact O-N 3.25Å
114	L	98.5	Very high	97.4	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-59	-42.4	174.6	-179.3	147.7	0	0	0	111.1	L110 R111 V116 I117 L118 Y427 V542	L110-L114 VanDerWaalsContact O-CB 3.3Å; L110-L114 WeakPolarHBondContact O-CB 3.33Å; L110-L114 PolarHBondContact O-N 3.04Å; R111-L114 PolarHBondContact O-N 2.96Å; L114-V116 VanDerWaalsContact C-N 3.25Å; L114-V116 PolarHBondContact O-N 3.34Å; L114-I117 WeakPolarHBondContact O-CB 3.44Å; L114-I117 PolarHBondContact O-N 3.3Å; L114-I117 VanDerWaalsContact O-N 3.09Å; L114-L118 HydrophobicContact CD2-CD1 3.63Å; L114-L118 HydrophobicContact CD2-CD2 4.39Å; L114-L118 HydrophobicContact CD2-CG 3.78Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.03Å; L114-Y427 HydrophobicContact CD1-CD2 4.43Å; L114-Y427 HydrophobicContact CD1-CE1 4.39Å; L114-Y427 HydrophobicContact CD1-CE2 3.75Å; L114-Y427 HydrophobicContact CG-CD2 4.27Å; L114-Y427 HydrophobicContact CG-CE2 3.71Å; L114-V542 HydrophobicContact CB-CG2 4.27Å; L114-V542 HydrophobicContact CD1-CG2 3.8Å
115	E	98.5	Very high	97.1	Very high	19 Å²	19	44.5 Å²	44.5	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-59	-35.6	176.9	-75.7	170.8	-167	0	0	112.6	R111 E113 I117 L118 K119 W408 R409 N413	R111-E115 VanDerWaalsContact O-CG 3.28Å; R111-E115 WeakPolarHBondContact O-CG 3.45Å; R111-E115 PolarHBondContact O-N 3.32Å; E113-E115 VanDerWaalsContact C-N 3.29Å; E113-E115 PolarHBondContact O-N 3.09Å; E115-I117 VanDerWaalsContact C-N 3.34Å; E115-L118 PolarHBondContact O-N 2.97Å; E115-K119 PolarHBondContact O-N 3.43Å; E115-W408 HydrophobicContact CB-CH2 4.49Å; E115-W408 HydrophobicContact CB-CZ3 4.1Å; E115-W408 WeakPolarHBondContact O-CZ3 3.09Å; E115-R409 VanDerWaalsContact OE2-CB 3.3Å; E115-R409 WeakPolarHBondContact OE2-CB 3.41Å; E115-R409 WeakPolarHBondContact OE2-CD 3.49Å; E115-R409 WeakPolarHBondContact OE2-CG 3.35Å; E115-R409 IonicContact OE2-CZ 2.68Å; E115-R409 IonicContact OE2-NE 3.67Å; E115-R409 IonicContact OE2-NH1 2.78Å; E115-R409 PolarHBondContact OE2-NH1 2.79Å; E115-N413 WeakPolarHBondContact CG-OD1 3.47Å; E115-N413 PolarHBondContact OE1-ND2 3.29Å
116	V	98.4	Very high	97	Very high	59 Å²	59	49.5 Å²	49.5	36%	0.358	25%	0.246	S	C	.	.	H	α-helix	trans	-62.2	-44.1	175.1	174.7	0	0	0	0	110.5	D112 E113 L114 L118 K119 D120 W408	D112-V116 PolarHBondContact O-N 2.94Å; E113-V116 WeakPolarHBondContact O-CB 3.39Å; E113-V116 PolarHBondContact O-N 2.94Å; E113-V116 VanDerWaalsContact O-N 3.14Å; L114-V116 VanDerWaalsContact C-N 3.25Å; L114-V116 PolarHBondContact O-N 3.34Å; V116-L118 VanDerWaalsContact C-N 3.3Å; V116-L118 PolarHBondContact O-N 3.32Å; V116-K119 WeakPolarHBondContact O-CB 3.19Å; V116-K119 PolarHBondContact O-N 3.13Å; V116-D120 PolarHBondContact O-N 3.31Å; V116-W408 HydrophobicContact CG2-CH2 3.92Å
117	I	98.3	Very high	96.8	Very high	48 Å²	48	55.6 Å²	55.6	25%	0.246	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-42.7	175.9	-59.7	167.8	0	0	0	110.1	E113 L114 E115 K119 D120 V121 Y427 A430 A431	E113-I117 PolarHBondContact O-N 3.25Å; L114-I117 WeakPolarHBondContact O-CB 3.44Å; L114-I117 PolarHBondContact O-N 3.3Å; L114-I117 VanDerWaalsContact O-N 3.09Å; E115-I117 VanDerWaalsContact C-N 3.34Å; I117-K119 VanDerWaalsContact C-N 3.34Å; I117-K119 PolarHBondContact O-N 3.12Å; I117-D120 PolarHBondContact O-N 3.21Å; I117-V121 WeakPolarHBondContact O-CG2 3.44Å; I117-V121 PolarHBondContact O-N 2.65Å; I117-V121 VanDerWaalsContact O-N 3.07Å; I117-Y427 HydrophobicContact CB-CD2 4.43Å; I117-Y427 HydrophobicContact CB-CE2 4.43Å; I117-Y427 HydrophobicContact CD1-CE2 4.03Å; I117-Y427 HydrophobicContact CG2-CD2 3.9Å; I117-Y427 HydrophobicContact CG2-CE2 4.21Å; I117-A430 HydrophobicContact CG2-CB 4.1Å; I117-A431 HydrophobicContact CD1-CB 3.89Å; I117-A431 HydrophobicContact CG2-CB 4.27Å
118	L	98.6	Very high	96.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-40.8	177.3	-64	-168.8	0	0	0	112.5	L114 E115 V116 V121 L122 A412 N416 V423 Y427 A540	L114-L118 HydrophobicContact CD2-CD1 3.63Å; L114-L118 HydrophobicContact CD2-CD2 4.39Å; L114-L118 HydrophobicContact CD2-CG 3.78Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.03Å; E115-L118 PolarHBondContact O-N 2.97Å; V116-L118 VanDerWaalsContact C-N 3.3Å; V116-L118 PolarHBondContact O-N 3.32Å; L118-V121 WeakPolarHBondContact O-CG2 3.19Å; L118-L122 HydrophobicContact CB-CD1 4.47Å; L118-L122 WeakPolarHBondContact O-CB 3.47Å; L118-L122 WeakPolarHBondContact O-CD1 3.45Å; L118-L122 WeakPolarHBondContact O-CG 3.37Å; L118-L122 PolarHBondContact O-N 2.82Å; L118-A412 HydrophobicContact CB-CB 3.91Å; L118-N416 HydrophobicContact CD1-CB 3.96Å; L118-V423 HydrophobicContact CD1-CG1 4.28Å; L118-V423 HydrophobicContact CD2-CG1 3.51Å; L118-V423 HydrophobicContact CG-CG1 4.44Å; L118-Y427 HydrophobicContact CD2-CD2 4.15Å; L118-A540 HydrophobicContact CD2-CB 4.12Å
119	K	98.3	Very high	96.7	Very high	47 Å²	47	61.3 Å²	61.3	20%	0.204	31%	0.311	C	S	.	.	H	α-helix	trans	-57.4	-51.4	173.9	179.4	-168.5	171.3	-63.2	0	110.5	E115 V116 I117 V121 L122 E123 W408	E115-K119 PolarHBondContact O-N 3.43Å; V116-K119 WeakPolarHBondContact O-CB 3.19Å; V116-K119 PolarHBondContact O-N 3.13Å; I117-K119 VanDerWaalsContact C-N 3.34Å; I117-K119 PolarHBondContact O-N 3.12Å; K119-V121 VanDerWaalsContact C-N 3.33Å; K119-V121 PolarHBondContact O-N 3.36Å; K119-L122 PolarHBondContact O-N 3.33Å; K119-E123 WeakPolarHBondContact CE-OE1 3.27Å; K119-E123 HydrophobicContact CG-CG 4.19Å; K119-E123 VanDerWaalsContact CG-OE1 3.27Å; K119-E123 WeakPolarHBondContact CG-OE1 3.35Å; K119-E123 IonicContact NZ-OE1 3.94Å; K119-E123 PolarHBondContact NZ-OE1 3.33Å; K119-E123 IonicContact NZ-OE2 3.88Å; K119-E123 PolarHBondContact NZ-OE2 2.88Å; K119-E123 WeakPolarHBondContact O-CB 3.3Å; K119-E123 WeakPolarHBondContact O-CG 3.44Å; K119-E123 PolarHBondContact O-N 2.87Å; K119-W408 HydrophobicContact CB-CE3 3.64Å; K119-W408 HydrophobicContact CB-CZ3 3.72Å; K119-W408 HydrophobicContact CD-CD2 3.73Å; K119-W408 HydrophobicContact CD-CE3 3.66Å; K119-W408 HydrophobicContact CD-CG 4.25Å; K119-W408 HydrophobicContact CD-CH2 4.3Å; K119-W408 HydrophobicContact CD-CZ2 4.36Å; K119-W408 HydrophobicContact CD-CZ3 3.96Å; K119-W408 HydrophobicContact CG-CD2 4.29Å; K119-W408 HydrophobicContact CG-CE3 3.87Å; K119-W408 HydrophobicContact CG-CZ3 4.3Å
120	D	97.6	Very high	96.7	Very high	90 Å²	90	61.2 Å²	61.2	48%	0.481	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-41.8	-176.5	-67.5	-11.7	0	0	0	111.8	V116 I117	V116-D120 PolarHBondContact O-N 3.31Å; I117-D120 PolarHBondContact O-N 3.21Å
121	V	97.8	Very high	96.7	Very high	27 Å²	27	64 Å²	64	16%	0.164	33%	0.328	C	S	.	.	H	α-helix	trans	-80.5	-18.5	-179.3	-56.2	0	0	0	0	114.3	I117 L118 K119 K137 L426 A430	I117-V121 WeakPolarHBondContact O-CG2 3.44Å; I117-V121 PolarHBondContact O-N 2.65Å; I117-V121 VanDerWaalsContact O-N 3.07Å; L118-V121 WeakPolarHBondContact O-CG2 3.19Å; K119-V121 VanDerWaalsContact C-N 3.33Å; K119-V121 PolarHBondContact O-N 3.36Å; V121-K137 WeakPolarHBondContact O-CE 3.15Å; 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 3.89Å
122	L	98.5	Very high	96.7	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-95.9	-26	180	-71.6	171.5	0	0	0	113.9	L118 K119 A136 K137 Y140 A412 V415 V423 L426	L118-L122 HydrophobicContact CB-CD1 4.47Å; L118-L122 WeakPolarHBondContact O-CB 3.47Å; L118-L122 WeakPolarHBondContact O-CD1 3.45Å; L118-L122 WeakPolarHBondContact O-CG 3.37Å; L118-L122 PolarHBondContact O-N 2.82Å; K119-L122 PolarHBondContact O-N 3.33Å; L122-A136 HydrophobicContact CD2-CB 4.19Å; L122-K137 HydrophobicContact CD2-CG 4.44Å; L122-K137 WeakPolarHBondContact O-CG 3.49Å; L122-Y140 HydrophobicContact CB-CD1 4.03Å; L122-Y140 HydrophobicContact CB-CD2 4.01Å; L122-Y140 HydrophobicContact CB-CE1 4.46Å; L122-Y140 HydrophobicContact CB-CE2 4.41Å; L122-Y140 HydrophobicContact CB-CG 3.79Å; L122-Y140 HydrophobicContact CD1-CD2 3.89Å; L122-Y140 HydrophobicContact CD1-CE2 4.45Å; L122-Y140 HydrophobicContact CD1-CG 4.33Å; L122-A412 HydrophobicContact CD1-CB 4.34Å; L122-V415 HydrophobicContact CD1-CB 4.31Å; L122-V415 HydrophobicContact CD2-CG1 4.26Å; L122-V423 HydrophobicContact CD2-CG2 4.32Å; L122-L426 HydrophobicContact CD2-CD1 4.11Å
123	E	94.3	Very high	96.7	Very high	69 Å²	69	58.3 Å²	58.3	32%	0.322	30%	0.304	S	S	.	.	H	α-helix	trans	-71.7	-46.7	-177.2	-87.1	-179.1	179.7	0	0	113.1	K119 P125 Y140	K119-E123 WeakPolarHBondContact CE-OE1 3.27Å; K119-E123 HydrophobicContact CG-CG 4.19Å; K119-E123 VanDerWaalsContact CG-OE1 3.27Å; K119-E123 WeakPolarHBondContact CG-OE1 3.35Å; K119-E123 IonicContact NZ-OE1 3.94Å; K119-E123 PolarHBondContact NZ-OE1 3.33Å; K119-E123 IonicContact NZ-OE2 3.88Å; K119-E123 PolarHBondContact NZ-OE2 2.88Å; K119-E123 WeakPolarHBondContact O-CB 3.3Å; K119-E123 WeakPolarHBondContact O-CG 3.44Å; K119-E123 PolarHBondContact O-N 2.87Å; E123-P125 WeakPolarHBondContact O-CD 3.42Å; E123-Y140 HydrophobicContact CB-CE1 4.45Å; E123-Y140 HydrophobicContact CG-CD1 4.47Å; E123-Y140 HydrophobicContact CG-CE1 3.48Å; E123-Y140 VanDerWaalsContact CG-CE1 3.48Å; E123-Y140 PolarHBondContact OE1-OH 3.44Å
124	E	89	Confident	96.8	Very high	137 Å²	137	57.9 Å²	57.9	64%	0.64	30%	0.302	S	S	*	.	S	Bend	trans	-92	117.2	-170.5	-64.4	-170.8	169.8	0	0	112.1	K137	E124-K137 WeakPolarHBondContact O-CE 3.28Å; E124-K137 PolarHBondContact O-NZ 3.04Å
125	P	92.9	Very high	96.8	Very high	96 Å²	96	58.9 Å²	58.9	62%	0.623	31%	0.306	S	S	*	.			trans	-70	140	172	29.2	-32.6	0	0	0	110.9	E123	E123-P125 WeakPolarHBondContact O-CD 3.42Å
126	K	94.5	Very high	96.8	Very high	114 Å²	114	58 Å²	58	50%	0.496	30%	0.302	S	S	.	.			trans	-115.8	151.8	174.9	-59.3	-178.7	178.3	178.5	0	110.5	E128 D129	K126-E128 HydrophobicContact CB-CG 4.39Å; K126-E128 PolarHBondContact O-N 2.95Å; K126-D129 PolarHBondContact N-OD2 3.47Å; K126-D129 PolarHBondContact O-N 2.81Å
127	T	92	Very high	96.8	Very high	144 Å²	144	55.3 Å²	55.3	88%	0.883	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-30.6	-175.9	-56.8	0	0	0	0	111.3
128	E	95.1	Very high	96.8	Very high	141 Å²	141	54.1 Å²	54.1	66%	0.659	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	1.7	-179.1	65.5	-85.3	-162.3	0	0	114.2	K126 I130	K126-E128 HydrophobicContact CB-CG 4.39Å; K126-E128 PolarHBondContact O-N 2.95Å; E128-I130 PolarHBondContact O-N 3.27Å
129	D	97.7	Very high	96.8	Very high	18 Å²	18	54.1 Å²	54.1	10%	0.096	28%	0.281	C	S	.	.			trans	-60.8	125.3	179	-75	-27.5	0	0	0	110.7	K126 V133 Q134 K137	K126-D129 PolarHBondContact N-OD2 3.47Å; K126-D129 PolarHBondContact O-N 2.81Å; D129-V133 HydrophobicContact CB-CB 4.25Å; D129-V133 HydrophobicContact CB-CG1 3.9Å; D129-V133 WeakPolarHBondContact OD1-CG1 3.42Å; D129-Q134 HydrophobicContact CB-CG 3.79Å; D129-Q134 PolarHBondContact O-NE2 3.36Å; D129-K137 VanDerWaalsContact CG-NZ 3.26Å; D129-K137 IonicContact OD1-NZ 3.87Å; D129-K137 PolarHBondContact OD1-NZ 2.88Å; D129-K137 WeakPolarHBondContact OD2-CD 3.19Å; D129-K137 WeakPolarHBondContact OD2-CE 3.45Å; D129-K137 IonicContact OD2-NZ 3.64Å; D129-K137 PolarHBondContact OD2-NZ 3.45Å
130	I	98.2	Very high	96.8	Very high	32 Å²	32	52 Å²	52	16%	0.164	27%	0.271	C	S	.	.			trans	-69.3	162.1	170	64.5	170.9	0	0	0	111.2	E128 A132 V133 Q134 D490 L493	E128-I130 PolarHBondContact O-N 3.27Å; I130-A132 VanDerWaalsContact C-N 3.3Å; I130-A132 HydrophobicContact CD1-CB 4.31Å; I130-A132 HydrophobicContact CG1-CB 4.45Å; I130-A132 PolarHBondContact O-N 2.9Å; I130-V133 HydrophobicContact CD1-CG2 4.43Å; I130-V133 HydrophobicContact CG1-CB 4.17Å; I130-V133 HydrophobicContact CG1-CG2 3.79Å; I130-V133 WeakPolarHBondContact O-CB 3.2Å; I130-V133 PolarHBondContact O-N 2.9Å; I130-Q134 WeakPolarHBondContact O-CG 3.49Å; I130-Q134 PolarHBondContact O-N 3.29Å; I130-D490 HydrophobicContact CD1-CB 4.1Å; I130-D490 HydrophobicContact CG2-CB 4.23Å; I130-L493 HydrophobicContact CD1-CD2 4.02Å
131	V	98.3	Very high	96.9	Very high	69 Å²	69	50.5 Å²	50.5	42%	0.418	26%	0.259	S	S	.	.	H	α-helix	trans	-54.4	-41.2	-175.2	175.5	0	0	0	0	113	V133 Q134 K135 N494	V131-V133 VanDerWaalsContact C-N 3.35Å; V131-V133 PolarHBondContact O-N 3.29Å; V131-Q134 PolarHBondContact O-N 3.23Å; V131-K135 HydrophobicContact CG1-CD 4.37Å; V131-K135 WeakPolarHBondContact O-CG 3.22Å; V131-K135 PolarHBondContact O-N 3.13Å; V131-N494 PolarHBondContact N-OD1 3.4Å
132	A	98.5	Very high	96.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-43.6	176.4	0	0	0	0	0	112.5	I130 K135 A136 M419 A422 L493 N494 Y497	I130-A132 VanDerWaalsContact C-N 3.3Å; I130-A132 HydrophobicContact CD1-CB 4.31Å; I130-A132 HydrophobicContact CG1-CB 4.45Å; I130-A132 PolarHBondContact O-N 2.9Å; A132-K135 PolarHBondContact O-N 3.37Å; A132-A136 PolarHBondContact O-N 3.12Å; A132-A136 VanDerWaalsContact O-N 3.1Å; A132-M419 WeakPolarHBondContact O-CE 2.99Å; A132-A422 HydrophobicContact CB-CB 4.46Å; A132-L493 HydrophobicContact CB-CD2 4.4Å; A132-L493 HydrophobicContact CB-CG 3.89Å; A132-N494 WeakPolarHBondContact CB-OD1 3.33Å; A132-N494 PolarHBondContact N-OD1 3.3Å; A132-Y497 HydrophobicContact CB-CD2 3.91Å
133	V	98.6	Very high	96.9	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-43	177.6	171.4	0	0	0	0	110.7	D129 I130 V131 K135 A136 K137 L426	D129-V133 HydrophobicContact CB-CB 4.25Å; D129-V133 HydrophobicContact CB-CG1 3.9Å; D129-V133 WeakPolarHBondContact OD1-CG1 3.42Å; I130-V133 HydrophobicContact CD1-CG2 4.43Å; I130-V133 HydrophobicContact CG1-CB 4.17Å; I130-V133 HydrophobicContact CG1-CG2 3.79Å; I130-V133 WeakPolarHBondContact O-CB 3.2Å; I130-V133 PolarHBondContact O-N 2.9Å; V131-V133 VanDerWaalsContact C-N 3.35Å; V131-V133 PolarHBondContact O-N 3.29Å; V133-K135 VanDerWaalsContact C-N 3.29Å; V133-K135 PolarHBondContact O-N 2.94Å; V133-A136 PolarHBondContact O-N 3.02Å; V133-A136 VanDerWaalsContact O-N 3.16Å; V133-K137 HydrophobicContact CG1-CD 4.21Å; V133-K137 HydrophobicContact CG1-CG 4.44Å; V133-K137 WeakPolarHBondContact O-CG 3.47Å; V133-K137 PolarHBondContact O-N 2.71Å; V133-L426 HydrophobicContact CG1-CD1 4.19Å; V133-L426 HydrophobicContact CG1-CD2 3.95Å; V133-L426 HydrophobicContact CG1-CG 4.48Å; V133-L426 HydrophobicContact CG2-CD2 4.22Å; V133-L426 HydrophobicContact CG2-CG 4.45Å
134	Q	98.5	Very high	97.1	Very high	93 Å²	93	49.2 Å²	49.2	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-56.7	-44.9	175.2	-65.7	174.8	9.7	0	0	111.1	D129 I130 V131 A136 K137 T138	D129-Q134 HydrophobicContact CB-CG 3.79Å; D129-Q134 PolarHBondContact O-NE2 3.36Å; I130-Q134 WeakPolarHBondContact O-CG 3.49Å; I130-Q134 PolarHBondContact O-N 3.29Å; V131-Q134 PolarHBondContact O-N 3.23Å; Q134-A136 PolarHBondContact O-N 3.49Å; Q134-K137 PolarHBondContact O-N 3.39Å; Q134-T138 WeakPolarHBondContact O-CB 3.36Å; Q134-T138 PolarHBondContact O-N 3.38Å; Q134-T138 PolarHBondContact O-OG1 3.16Å
135	K	98.7	Very high	97.6	Very high	30 Å²	30	46.1 Å²	46.1	13%	0.13	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-44.3	176.1	-74.1	179.7	-173.2	-173.1	0	112.2	V131 A132 V133 K137 T138 L139 M419 Y497 L498 L500 Y502	V131-K135 HydrophobicContact CG1-CD 4.37Å; V131-K135 WeakPolarHBondContact O-CG 3.22Å; V131-K135 PolarHBondContact O-N 3.13Å; A132-K135 PolarHBondContact O-N 3.37Å; V133-K135 VanDerWaalsContact C-N 3.29Å; V133-K135 PolarHBondContact O-N 2.94Å; K135-K137 PolarHBondContact O-N 3.29Å; K135-T138 PolarHBondContact O-N 2.96Å; K135-L139 WeakPolarHBondContact O-CB 3.46Å; K135-L139 PolarHBondContact O-N 3.43Å; K135-M419 HydrophobicContact CB-CE 3.87Å; K135-M419 HydrophobicContact CB-SD 4.49Å; K135-Y497 PolarHBondContact NZ-O 2.82Å; K135-L498 PolarHBondContact NZ-O 3.35Å; K135-L500 WeakPolarHBondContact CE-O 3.44Å; K135-L500 PolarHBondContact NZ-O 3.48Å; K135-Y502 HydrophobicContact CB-CD2 3.97Å; K135-Y502 HydrophobicContact CB-CE2 4.08Å; K135-Y502 HydrophobicContact CG-CD2 4.47Å; K135-Y502 WeakPolarHBondContact O-CD2 3.26Å
136	A	98.8	Very high	97.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-45.7	176.7	0	0	0	0	0	112	L122 A132 V133 Q134 L139 Y140 V415 M419 A422 V423	L122-A136 HydrophobicContact CD2-CB 4.19Å; A132-A136 PolarHBondContact O-N 3.12Å; A132-A136 VanDerWaalsContact O-N 3.1Å; V133-A136 PolarHBondContact O-N 3.02Å; V133-A136 VanDerWaalsContact O-N 3.16Å; Q134-A136 PolarHBondContact O-N 3.49Å; A136-L139 PolarHBondContact O-N 3.27Å; A136-Y140 PolarHBondContact O-N 3Å; A136-V415 HydrophobicContact CB-CG1 3.83Å; A136-M419 VanDerWaalsContact CA-SD 3.55Å; A136-M419 HydrophobicContact CB-CE 4.23Å; A136-M419 HydrophobicContact CB-SD 3.87Å; A136-A422 HydrophobicContact CB-CB 4.36Å; A136-V423 HydrophobicContact CB-CG2 4.48Å
137	K	98.7	Very high	98	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-38.7	177.2	-63.4	-175.8	178.3	176.9	0	112.5	V121 L122 E124 D129 V133 Q134 K135 Y140 R141	V121-K137 WeakPolarHBondContact O-CE 3.15Å; L122-K137 HydrophobicContact CD2-CG 4.44Å; L122-K137 WeakPolarHBondContact O-CG 3.49Å; E124-K137 WeakPolarHBondContact O-CE 3.28Å; E124-K137 PolarHBondContact O-NZ 3.04Å; D129-K137 VanDerWaalsContact CG-NZ 3.26Å; D129-K137 IonicContact OD1-NZ 3.87Å; D129-K137 PolarHBondContact OD1-NZ 2.88Å; D129-K137 WeakPolarHBondContact OD2-CD 3.19Å; D129-K137 WeakPolarHBondContact OD2-CE 3.45Å; D129-K137 IonicContact OD2-NZ 3.64Å; D129-K137 PolarHBondContact OD2-NZ 3.45Å; V133-K137 HydrophobicContact CG1-CD 4.21Å; V133-K137 HydrophobicContact CG1-CG 4.44Å; V133-K137 WeakPolarHBondContact O-CG 3.47Å; V133-K137 PolarHBondContact O-N 2.71Å; Q134-K137 PolarHBondContact O-N 3.39Å; K135-K137 PolarHBondContact O-N 3.29Å; K137-Y140 WeakPolarHBondContact O-CB 3.37Å; K137-Y140 PolarHBondContact O-N 3.26Å; K137-R141 WeakPolarHBondContact O-CG 3.29Å; K137-R141 PolarHBondContact O-N 2.96Å; K137-R141 PolarHBondContact O-NH1 3.07Å
138	T	98.6	Very high	98.3	Very high	24 Å²	24	36.2 Å²	36.2	15%	0.147	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-44.4	173.8	-65.3	0	0	0	0	111.4	Q134 K135 Y140 R141 S142 E504	Q134-T138 WeakPolarHBondContact O-CB 3.36Å; Q134-T138 PolarHBondContact O-N 3.38Å; Q134-T138 PolarHBondContact O-OG1 3.16Å; K135-T138 PolarHBondContact O-N 2.96Å; T138-Y140 VanDerWaalsContact C-N 3.33Å; T138-Y140 PolarHBondContact O-N 3.46Å; T138-R141 PolarHBondContact O-N 3.37Å; T138-R141 PolarHBondContact OG1-NH2 2.94Å; T138-R141 VanDerWaalsContact OG1-NH2 3.14Å; T138-S142 PolarHBondContact O-N 2.94Å; T138-E504 HydrophobicContact CG2-CG 3.71Å
139	L	98.8	Very high	98.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.1	-44.1	175.7	-175.4	60.7	0	0	0	111	K135 A136 S142 C143 Y414 V415 M419 Y502 N510	K135-L139 WeakPolarHBondContact O-CB 3.46Å; K135-L139 PolarHBondContact O-N 3.43Å; A136-L139 PolarHBondContact O-N 3.27Å; L139-S142 PolarHBondContact O-N 3.1Å; L139-S142 PolarHBondContact O-OG 3.06Å; L139-C143 PolarHBondContact O-N 3.24Å; L139-C143 VanDerWaalsContact O-N 3.1Å; L139-Y414 HydrophobicContact CD1-CE1 4.23Å; L139-Y414 HydrophobicContact CD2-CD1 4.36Å; L139-Y414 HydrophobicContact CD2-CE1 4.07Å; L139-Y414 HydrophobicContact CG-CE1 4.36Å; L139-V415 HydrophobicContact CB-CG2 4.07Å; L139-V415 HydrophobicContact CD2-CB 4.47Å; L139-V415 HydrophobicContact CD2-CG1 4.37Å; L139-V415 HydrophobicContact CD2-CG2 3.94Å; L139-V415 HydrophobicContact CG-CG2 3.83Å; L139-M419 HydrophobicContact CD2-SD 4.39Å; L139-Y502 HydrophobicContact CB-CD2 3.92Å; L139-Y502 HydrophobicContact CB-CE2 4.02Å; L139-Y502 HydrophobicContact CB-CG 4.35Å; L139-Y502 HydrophobicContact CD1-CD1 4.11Å; L139-Y502 HydrophobicContact CD1-CE1 4.12Å; L139-Y502 HydrophobicContact CD1-CG 4.32Å; L139-Y502 HydrophobicContact CD2-CE2 4.13Å; L139-Y502 HydrophobicContact CG-CE2 4.48Å; L139-N510 HydrophobicContact CD1-CB 3.59Å
140	Y	98.8	Very high	98.6	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-50.3	176.3	179.4	-97	0	0	0	112.1	L122 E123 A136 K137 T138 S142 C143 I144 W408 C411 A412	L122-Y140 HydrophobicContact CB-CD1 4.03Å; L122-Y140 HydrophobicContact CB-CD2 4.01Å; L122-Y140 HydrophobicContact CB-CE1 4.46Å; L122-Y140 HydrophobicContact CB-CE2 4.41Å; L122-Y140 HydrophobicContact CB-CG 3.79Å; L122-Y140 HydrophobicContact CD1-CD2 3.89Å; L122-Y140 HydrophobicContact CD1-CE2 4.45Å; L122-Y140 HydrophobicContact CD1-CG 4.33Å; E123-Y140 HydrophobicContact CB-CE1 4.45Å; E123-Y140 HydrophobicContact CG-CD1 4.47Å; E123-Y140 HydrophobicContact CG-CE1 3.48Å; E123-Y140 VanDerWaalsContact CG-CE1 3.48Å; E123-Y140 PolarHBondContact OE1-OH 3.44Å; A136-Y140 PolarHBondContact O-N 3Å; K137-Y140 WeakPolarHBondContact O-CB 3.37Å; K137-Y140 PolarHBondContact O-N 3.26Å; T138-Y140 VanDerWaalsContact C-N 3.33Å; T138-Y140 PolarHBondContact O-N 3.46Å; Y140-S142 VanDerWaalsContact C-N 3.3Å; Y140-S142 PolarHBondContact O-N 3.12Å; Y140-C143 WeakPolarHBondContact O-CB 3.33Å; Y140-C143 PolarHBondContact O-N 3.03Å; Y140-I144 HydrophobicContact CD1-CD1 4.29Å; Y140-I144 HydrophobicContact CD1-CG2 4.43Å; Y140-I144 HydrophobicContact CD2-CG2 4.46Å; Y140-I144 HydrophobicContact CE1-CD1 3.78Å; Y140-I144 HydrophobicContact CE1-CG1 4.45Å; Y140-I144 HydrophobicContact CE1-CG2 3.91Å; Y140-I144 HydrophobicContact CE2-CG2 3.98Å; Y140-I144 PolarHBondContact O-N 2.99Å; Y140-W408 WeakPolarHBondContact OH-CB 3.39Å; Y140-C411 HydrophobicContact CD2-CB 3.9Å; Y140-C411 HydrophobicContact CE2-CB 3.88Å; Y140-A412 HydrophobicContact CE2-CB 4.15Å
141	R	98.7	Very high	98.6	Very high	60 Å²	60	37.4 Å²	37.4	23%	0.226	20%	0.202	C	C	.	.	H	α-helix	trans	-58.2	-40.1	176.4	-74.9	-167.3	-61.6	-77.5	-3.4	112.6	K137 T138 C143 I144 N145 E504	K137-R141 WeakPolarHBondContact O-CG 3.29Å; K137-R141 PolarHBondContact O-N 2.96Å; K137-R141 PolarHBondContact O-NH1 3.07Å; T138-R141 PolarHBondContact O-N 3.37Å; T138-R141 PolarHBondContact OG1-NH2 2.94Å; T138-R141 VanDerWaalsContact OG1-NH2 3.14Å; R141-C143 VanDerWaalsContact C-N 3.28Å; R141-C143 PolarHBondContact O-N 3.37Å; R141-I144 WeakPolarHBondContact O-CG1 3.45Å; R141-N145 PolarHBondContact O-N 3.41Å; R141-E504 IonicContact CZ-OE1 2.82Å; R141-E504 VanDerWaalsContact CZ-OE1 3.24Å; R141-E504 VanDerWaalsContact NE-CD 3.3Å; R141-E504 IonicContact NE-OE1 2.65Å; R141-E504 PolarHBondContact NE-OE1 2.88Å; R141-E504 IonicContact NE-OE2 4Å; R141-E504 PolarHBondContact NE-OE2 3.31Å; R141-E504 IonicContact NH2-OE1 2.73Å; R141-E504 PolarHBondContact NH2-OE1 3.02Å
142	S	98.7	Very high	98.6	Very high	1 Å²	1	37 Å²	37	1%	0.007	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-36.9	176.1	78.6	0	0	0	0	112.7	T138 L139 Y140 K503 E504 Y507 N510	T138-S142 PolarHBondContact O-N 2.94Å; L139-S142 PolarHBondContact O-N 3.1Å; L139-S142 PolarHBondContact O-OG 3.06Å; Y140-S142 VanDerWaalsContact C-N 3.3Å; Y140-S142 PolarHBondContact O-N 3.12Å; S142-K503 WeakPolarHBondContact CB-O 3.36Å; S142-E504 WeakPolarHBondContact CA-O 3.04Å; S142-E504 WeakPolarHBondContact CB-O 3.01Å; S142-Y507 WeakPolarHBondContact O-CB 3.5Å; S142-N510 WeakPolarHBondContact CB-ND2 3.41Å; S142-N510 PolarHBondContact OG-ND2 2.81Å
143	C	98.7	Very high	98.6	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-74.2	-40.9	-178	-179.5	0	0	0	0	112.9	L139 Y140 R141 N145 C411 Y507	L139-C143 PolarHBondContact O-N 3.24Å; L139-C143 VanDerWaalsContact O-N 3.1Å; Y140-C143 WeakPolarHBondContact O-CB 3.33Å; Y140-C143 PolarHBondContact O-N 3.03Å; R141-C143 VanDerWaalsContact C-N 3.28Å; R141-C143 PolarHBondContact O-N 3.37Å; C143-N145 VanDerWaalsContact C-N 3.31Å; C143-N145 PolarHBondContact O-N 3.06Å; C143-C411 HydrophobicContact CB-CB 3.6Å; C143-C411 WeakPolarHBondContact CB-SG 3.31Å; C143-C411 PolarHBondContact O-SG 3.07Å; C143-C411 WeakPolarHBondContact SG-CA 3.47Å; C143-C411 WeakPolarHBondContact SG-CB 3.4Å; C143-C411 CovalentContact SG-SG 2.03Å; C143-C411 PolarHBondContact SG-SG 3.26Å; C143-Y507 HydrophobicContact CB-CD2 3.68Å; C143-Y507 HydrophobicContact CB-CE2 3.4Å; C143-Y507 VanDerWaalsContact CB-CE2 3.4Å; C143-Y507 HydrophobicContact CB-CG 4.46Å
144	I	98.4	Very high	98.6	Very high	61 Å²	61	37.7 Å²	37.7	31%	0.313	20%	0.2	S	C	.	.	H	α-helix	trans	-76.6	-17	-176.4	63.1	168.5	0	0	0	113.6	Y140 R141 E146 W408 C411	Y140-I144 HydrophobicContact CD1-CD1 4.29Å; Y140-I144 HydrophobicContact CD1-CG2 4.43Å; Y140-I144 HydrophobicContact CD2-CG2 4.46Å; Y140-I144 HydrophobicContact CE1-CD1 3.78Å; Y140-I144 HydrophobicContact CE1-CG1 4.45Å; Y140-I144 HydrophobicContact CE1-CG2 3.91Å; Y140-I144 HydrophobicContact CE2-CG2 3.98Å; Y140-I144 PolarHBondContact O-N 2.99Å; R141-I144 WeakPolarHBondContact O-CG1 3.45Å; I144-E146 VanDerWaalsContact C-N 3.26Å; I144-E146 PolarHBondContact O-N 2.87Å; I144-W408 HydrophobicContact CG2-CB 4.43Å; I144-C411 HydrophobicContact CG2-CB 3.72Å
145	N	98.4	Very high	98.6	Very high	71 Å²	71	37.3 Å²	37.3	38%	0.38	20%	0.199	S	C	.	.			trans	-77.7	73.2	-179.5	-169.3	-11.2	0	0	0	111.6	R141 C143 S147 A148 I149	R141-N145 PolarHBondContact O-N 3.41Å; C143-N145 VanDerWaalsContact C-N 3.31Å; C143-N145 PolarHBondContact O-N 3.06Å; N145-S147 PolarHBondContact O-N 3.45Å; N145-A148 HydrophobicContact CB-CB 4.27Å; N145-A148 PolarHBondContact O-N 3.23Å; N145-A148 VanDerWaalsContact O-N 3.15Å; N145-A148 PolarHBondContact OD1-N 3.31Å; N145-A148 VanDerWaalsContact OD1-N 3.1Å; N145-I149 PolarHBondContact O-N 2.89Å
146	E	98.3	Very high	98.6	Very high	44 Å²	44	36.2 Å²	36.2	21%	0.206	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-30.4	179.9	-68.1	-168.1	103.8	0	0	112.4	I144 A148 I149 D150 R385 T407 R410	I144-E146 VanDerWaalsContact C-N 3.26Å; I144-E146 PolarHBondContact O-N 2.87Å; E146-A148 PolarHBondContact O-N 2.64Å; E146-I149 PolarHBondContact O-N 2.75Å; E146-D150 VanDerWaalsContact O-CB 3.26Å; E146-D150 WeakPolarHBondContact O-CB 3.49Å; E146-D150 VanDerWaalsContact O-CG 3.23Å; E146-D150 PolarHBondContact O-N 3.23Å; E146-R385 IonicContact OE1-CZ 3.67Å; E146-R385 IonicContact OE1-NH1 2.71Å; E146-R385 IonicContact OE1-NH2 3.76Å; E146-R385 PolarHBondContact OE1-NH2 3.46Å; E146-R385 IonicContact OE2-NH2 3.49Å; E146-T407 HydrophobicContact CG-CG2 3.84Å; E146-T407 PolarHBondContact OE1-OG1 2.95Å; E146-T407 PolarHBondContact OE2-OG1 3.23Å; E146-R410 IonicContact OE1-NH2 3.27Å
147	S	98.4	Very high	98.6	Very high	82 Å²	82	36.2 Å²	36.2	57%	0.573	20%	0.195	S	C	*	.	H	α-helix	trans	-62.3	-43.2	175.8	-58	0	0	0	0	112.3	N145 N151	N145-S147 PolarHBondContact O-N 3.45Å; S147-N151 WeakPolarHBondContact O-CB 3.37Å; S147-N151 PolarHBondContact O-N 2.03Å; S147-N151 VanDerWaalsContact O-N 3.07Å; S147-N151 PolarHBondContact O-ND2 3.49Å; S147-N151 VanDerWaalsContact O-ND2 3.13Å
148	A	98.4	Very high	98.6	Very high	21 Å²	21	36.7 Å²	36.7	17%	0.174	20%	0.197	C	C	.	.	H	α-helix	trans	-66.3	-39.8	175.3	0	0	0	0	0	111.8	N145 E146 R152	N145-A148 HydrophobicContact CB-CB 4.27Å; N145-A148 PolarHBondContact O-N 3.23Å; N145-A148 VanDerWaalsContact O-N 3.15Å; N145-A148 PolarHBondContact OD1-N 3.31Å; N145-A148 VanDerWaalsContact OD1-N 3.1Å; E146-A148 PolarHBondContact O-N 2.64Å; A148-R152 WeakPolarHBondContact O-CD 3.41Å; A148-R152 VanDerWaalsContact O-CG 3.28Å; A148-R152 WeakPolarHBondContact O-CG 3.34Å
149	I	98.7	Very high	98.6	Very high	16 Å²	16	43 Å²	43	8%	0.082	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-46.7	177.2	-64.6	168.2	0	0	0	110.8	N145 E146 N151 R152 L383 Y507	N145-I149 PolarHBondContact O-N 2.89Å; E146-I149 PolarHBondContact O-N 2.75Å; I149-N151 PolarHBondContact O-N 3.33Å; I149-R152 PolarHBondContact O-N 3.22Å; I149-L383 VanDerWaalsContact CG2-O 3.3Å; I149-L383 WeakPolarHBondContact CG2-O 3.49Å; I149-Y507 HydrophobicContact CD1-CD1 3.71Å; I149-Y507 HydrophobicContact CD1-CE1 4.48Å; I149-Y507 HydrophobicContact CD1-CG 4.15Å; I149-Y507 HydrophobicContact CG1-CD1 4.34Å
150	D	98.5	Very high	98.6	Very high	57 Å²	57	43.6 Å²	43.6	31%	0.305	23%	0.226	S	C	.	.	H	α-helix	trans	-66.2	-39.5	-176.7	-74.6	-19.5	0	0	0	112	E146 R152 G153 S384 R385	E146-D150 VanDerWaalsContact O-CB 3.26Å; E146-D150 WeakPolarHBondContact O-CB 3.49Å; E146-D150 VanDerWaalsContact O-CG 3.23Å; E146-D150 PolarHBondContact O-N 3.23Å; D150-R152 PolarHBondContact O-N 3.15Å; D150-R152 VanDerWaalsContact O-N 3.07Å; D150-G153 PolarHBondContact O-N 3.06Å; D150-G153 VanDerWaalsContact O-N 3.09Å; D150-S384 VanDerWaalsContact OD1-CA 3.24Å; D150-S384 WeakPolarHBondContact OD1-CA 3.39Å; D150-R385 PolarHBondContact OD1-N 3.13Å
151	N	98.4	Very high	98.6	Very high	143 Å²	143	44 Å²	44	77%	0.765	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.9	176.2	-76.1	-20.4	0	0	0	113.6	S147 I149	S147-N151 WeakPolarHBondContact O-CB 3.37Å; S147-N151 PolarHBondContact O-N 2.03Å; S147-N151 VanDerWaalsContact O-N 3.07Å; S147-N151 PolarHBondContact O-ND2 3.49Å; S147-N151 VanDerWaalsContact O-ND2 3.13Å; I149-N151 PolarHBondContact O-N 3.33Å
152	R	98.4	Very high	98.6	Very high	61 Å²	61	44.6 Å²	44.6	23%	0.23	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-5.9	-178.9	-61.6	175.5	76.1	-161	-6.8	113.2	A148 I149 D150 G154 Q155 P156 D505 E509	A148-R152 WeakPolarHBondContact O-CD 3.41Å; A148-R152 VanDerWaalsContact O-CG 3.28Å; A148-R152 WeakPolarHBondContact O-CG 3.34Å; I149-R152 PolarHBondContact O-N 3.22Å; D150-R152 PolarHBondContact O-N 3.15Å; D150-R152 VanDerWaalsContact O-N 3.07Å; R152-G154 PolarHBondContact O-N 2.95Å; R152-Q155 VanDerWaalsContact O-CB 3.26Å; R152-Q155 WeakPolarHBondContact O-CB 3.4Å; R152-Q155 WeakPolarHBondContact O-CG 3.34Å; R152-Q155 PolarHBondContact O-N 3.24Å; R152-Q155 VanDerWaalsContact O-N 3.08Å; R152-P156 HydrophobicContact CB-CG 4.16Å; R152-D505 PolarHBondContact NH1-O 3.25Å; R152-E509 IonicContact CZ-OE1 2.74Å; R152-E509 IonicContact CZ-OE2 2.84Å; R152-E509 VanDerWaalsContact CZ-OE2 3.27Å; R152-E509 IonicContact NH1-OE1 3.24Å; R152-E509 IonicContact NH1-OE2 3.77Å; R152-E509 PolarHBondContact NH1-OE2 2.84Å; R152-E509 IonicContact NH2-OE1 3.31Å; R152-E509 PolarHBondContact NH2-OE1 3.28Å; R152-E509 IonicContact NH2-OE2 2.7Å; R152-E509 PolarHBondContact NH2-OE2 2.89Å
153	G	98.4	Very high	98.5	Very high	17 Å²	17	47.1 Å²	47.1	18%	0.175	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	-132.3	177.8	0	0	0	0	0	112.5	D150 S384	D150-G153 PolarHBondContact O-N 3.06Å; D150-G153 VanDerWaalsContact O-N 3.09Å; G153-S384 PolarHBondContact O-N 3.2Å
154	G	98.5	Very high	98.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	0.3	169.7	0	0	0	0	0	113.5	R152 P156 L157 L158 E259	R152-G154 PolarHBondContact O-N 2.95Å; G154-P156 VanDerWaalsContact C-N 3.32Å; G154-P156 VanDerWaalsContact O-N 3.12Å; G154-L157 WeakPolarHBondContact O-CA 3.36Å; G154-L157 WeakPolarHBondContact O-CB 3.47Å; G154-L157 PolarHBondContact O-N 3.17Å; G154-L158 PolarHBondContact O-N 2.88Å; G154-E259 WeakPolarHBondContact CA-OE2 3.36Å; G154-E259 PolarHBondContact N-OE1 3.04Å; G154-E259 PolarHBondContact N-OE2 3.34Å
155	Q	98.7	Very high	98.5	Very high	85 Å²	85	46 Å²	46	40%	0.397	24%	0.244	S	C	.	.	H	α-helix	trans	-48.9	-40.7	-174.8	-62.3	-62.8	-50.4	0	0	114.9	R152 L157 L158 K159 E259	R152-Q155 VanDerWaalsContact O-CB 3.26Å; R152-Q155 WeakPolarHBondContact O-CB 3.4Å; R152-Q155 WeakPolarHBondContact O-CG 3.34Å; R152-Q155 PolarHBondContact O-N 3.24Å; R152-Q155 VanDerWaalsContact O-N 3.08Å; Q155-L157 VanDerWaalsContact C-N 3.3Å; Q155-L157 PolarHBondContact O-N 2.81Å; Q155-L158 PolarHBondContact O-N 3.13Å; Q155-K159 WeakPolarHBondContact O-CG 3.42Å; Q155-K159 PolarHBondContact O-N 2.97Å; Q155-E259 PolarHBondContact N-OE1 3.06Å; Q155-E259 PolarHBondContact NE2-OE1 2.7Å
156	P	98.8	Very high	98.5	Very high	8 Å²	8	42.6 Å²	42.6	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-36.9	176.6	-23.1	35.5	0	0	0	113.1	R152 G154 L160 L383 F508	R152-P156 HydrophobicContact CB-CG 4.16Å; G154-P156 VanDerWaalsContact C-N 3.32Å; G154-P156 VanDerWaalsContact O-N 3.12Å; P156-L160 PolarHBondContact O-N 3.13Å; P156-L383 HydrophobicContact CB-CD2 4.41Å; P156-F508 HydrophobicContact CB-CB 3.65Å; P156-F508 HydrophobicContact CB-CD1 3.27Å; P156-F508 HydrophobicContact CB-CD2 4Å; P156-F508 HydrophobicContact CB-CE1 3.81Å; P156-F508 HydrophobicContact CB-CE2 4.45Å; P156-F508 HydrophobicContact CB-CG 3.36Å; P156-F508 HydrophobicContact CB-CZ 4.36Å; P156-F508 HydrophobicContact CG-CB 4.14Å; P156-F508 HydrophobicContact CG-CG 4.29Å; P156-F508 WeakPolarHBondContact O-CE1 3.27Å
157	L	98.8	Very high	98.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.8	-45.1	174	175.7	63	0	0	0	111.1	G154 Q155 K159 L160 L161 I256 I376 L379 L383 F508	G154-L157 WeakPolarHBondContact O-CA 3.36Å; G154-L157 WeakPolarHBondContact O-CB 3.47Å; G154-L157 PolarHBondContact O-N 3.17Å; Q155-L157 VanDerWaalsContact C-N 3.3Å; Q155-L157 PolarHBondContact O-N 2.81Å; L157-K159 VanDerWaalsContact C-N 3.26Å; L157-K159 PolarHBondContact O-N 3.21Å; L157-L160 HydrophobicContact CD1-CD2 4.5Å; L157-L160 WeakPolarHBondContact O-CA 3.34Å; L157-L160 WeakPolarHBondContact O-CB 3.33Å; L157-L160 PolarHBondContact O-N 2.91Å; L157-L161 HydrophobicContact CD1-CD2 4.16Å; L157-L161 HydrophobicContact CD1-CG 4.49Å; L157-L161 HydrophobicContact CG-CD2 4.45Å; L157-L161 HydrophobicContact CG-CG 4.43Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 2.94Å; L157-I256 HydrophobicContact CD2-CD1 3.93Å; L157-I376 HydrophobicContact CD1-CG1 4.21Å; L157-I376 HydrophobicContact CD2-CG2 4.08Å; L157-L379 HydrophobicContact CD1-CD1 3.82Å; L157-L383 HydrophobicContact CB-CD1 3.8Å; L157-L383 HydrophobicContact CB-CD2 4.13Å; L157-L383 HydrophobicContact CD2-CD1 3.8Å; L157-L383 HydrophobicContact CG-CD1 4.42Å; L157-F508 HydrophobicContact CB-CZ 4.26Å
158	L	98.8	Very high	98.6	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.063	19%	0.189	C	C	.	.	H	α-helix	trans	-56.7	-41.3	179.1	-58.5	179.3	0	0	0	111.8	G154 Q155 L160 L161 P162 I256 E259 E260	G154-L158 PolarHBondContact O-N 2.88Å; Q155-L158 PolarHBondContact O-N 3.13Å; L158-L160 VanDerWaalsContact C-N 3.27Å; L158-L160 PolarHBondContact O-N 3.43Å; L158-L161 HydrophobicContact CD2-CD1 4.26Å; L158-L161 PolarHBondContact O-N 3.19Å; L158-P162 VanDerWaalsContact O-CD 3.23Å; L158-P162 WeakPolarHBondContact O-CD 3Å; L158-I256 HydrophobicContact CD2-CB 4.37Å; L158-I256 HydrophobicContact CD2-CG1 4.32Å; L158-I256 HydrophobicContact CD2-CG2 3.62Å; L158-E259 HydrophobicContact CD1-CB 4.22Å; L158-E259 HydrophobicContact CD1-CG 3.84Å; L158-E260 HydrophobicContact CD1-CG 4.23Å; L158-E260 WeakPolarHBondContact CD1-OE1 3.42Å; L158-E260 HydrophobicContact CD2-CG 3.92Å
159	K	98.6	Very high	98.6	Very high	155 Å²	155	35.7 Å²	35.7	67%	0.674	18%	0.181	S	C	*	.	H	α-helix	trans	-65.1	-27.7	174	-70.5	176.5	-177.6	-178.8	0	113.6	Q155 L157	Q155-K159 WeakPolarHBondContact O-CG 3.42Å; Q155-K159 PolarHBondContact O-N 2.97Å; L157-K159 VanDerWaalsContact C-N 3.26Å; L157-K159 PolarHBondContact O-N 3.21Å
160	L	98.8	Very high	98.6	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.068	18%	0.179	C	C	.	.	H	α-helix	trans	-81.5	-34.4	179.4	-178	149.7	0	0	0	112.2	P156 L157 L158 P162 D163 I164 Y195 F375 F508 I512	P156-L160 PolarHBondContact O-N 3.13Å; L157-L160 HydrophobicContact CD1-CD2 4.5Å; L157-L160 WeakPolarHBondContact O-CA 3.34Å; L157-L160 WeakPolarHBondContact O-CB 3.33Å; L157-L160 PolarHBondContact O-N 2.91Å; L158-L160 VanDerWaalsContact C-N 3.27Å; L158-L160 PolarHBondContact O-N 3.43Å; L160-P162 VanDerWaalsContact C-CD 3.49Å; L160-D163 VanDerWaalsContact O-CB 3.3Å; L160-D163 WeakPolarHBondContact O-CB 3.41Å; L160-D163 PolarHBondContact O-N 2.79Å; L160-I164 HydrophobicContact CD2-CD1 3.94Å; L160-I164 HydrophobicContact CD2-CG1 4.15Å; L160-I164 HydrophobicContact CD2-CG2 4.12Å; L160-Y195 HydrophobicContact CD1-CE1 3.78Å; L160-Y195 HydrophobicContact CG-CE1 4.45Å; L160-F375 HydrophobicContact CD1-CE1 4.2Å; L160-F375 HydrophobicContact CD1-CZ 4.5Å; L160-F375 HydrophobicContact CD2-CD1 4.28Å; L160-F375 HydrophobicContact CD2-CE1 3.82Å; L160-F508 HydrophobicContact CB-CE1 4.45Å; L160-F508 HydrophobicContact CD1-CE1 4.04Å; L160-F508 HydrophobicContact CD1-CZ 4.24Å; L160-I512 HydrophobicContact CD1-CD1 3.43Å; L160-I512 VanDerWaalsContact CD1-CD1 3.43Å; L160-I512 HydrophobicContact CD1-CG1 3.9Å
161	L	98.7	Very high	98.5	Very high	11 Å²	11	33.5 Å²	33.5	6%	0.058	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-50.9	-44.9	-173.5	-70.1	177.8	0	0	0	114	L157 L158 D163 I164 G166 W167 I256 I376	L157-L161 HydrophobicContact CD1-CD2 4.16Å; L157-L161 HydrophobicContact CD1-CG 4.49Å; L157-L161 HydrophobicContact CG-CD2 4.45Å; L157-L161 HydrophobicContact CG-CG 4.43Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 2.94Å; L158-L161 HydrophobicContact CD2-CD1 4.26Å; L158-L161 PolarHBondContact O-N 3.19Å; L161-D163 PolarHBondContact O-N 3.06Å; L161-I164 HydrophobicContact CD2-CD1 4.16Å; L161-I164 WeakPolarHBondContact O-CG1 3.26Å; L161-I164 PolarHBondContact O-N 3.14Å; L161-G166 VanDerWaalsContact O-CA 3.24Å; L161-G166 WeakPolarHBondContact O-CA 3.34Å; L161-G166 PolarHBondContact O-N 3.33Å; L161-W167 HydrophobicContact CD2-CB 4.27Å; L161-I256 HydrophobicContact CD1-CD1 4.41Å; L161-I256 HydrophobicContact CD1-CG2 4.24Å; L161-I376 HydrophobicContact CD2-CD1 3.79Å; L161-I376 HydrophobicContact CD2-CG1 4.19Å
162	P	98.6	Very high	98.4	Very high	71 Å²	71	31.4 Å²	31.4	46%	0.461	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-58.7	-31.1	178.1	-25.9	35.4	0	0	0	114	L158 L160 I164 Y165 Y178	L158-P162 VanDerWaalsContact O-CD 3.23Å; L158-P162 WeakPolarHBondContact O-CD 3Å; L160-P162 VanDerWaalsContact C-CD 3.49Å; P162-I164 PolarHBondContact O-N 3.48Å; P162-Y165 PolarHBondContact O-N 2.69Å; P162-Y178 HydrophobicContact CB-CE1 4.49Å
163	D	98.4	Very high	98.3	Very high	54 Å²	54	33.5 Å²	33.5	29%	0.289	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-73.9	-12.2	-179.5	-170.2	77.5	0	0	0	113.4	L160 L161 Q190 K194 Y195	L160-D163 VanDerWaalsContact O-CB 3.3Å; L160-D163 WeakPolarHBondContact O-CB 3.41Å; L160-D163 PolarHBondContact O-N 2.79Å; L161-D163 PolarHBondContact O-N 3.06Å; D163-Q190 VanDerWaalsContact CG-NE2 3.34Å; D163-Q190 WeakPolarHBondContact O-CG 3.45Å; D163-Q190 PolarHBondContact O-NE2 3.28Å; D163-Q190 PolarHBondContact OD1-NE2 3.25Å; D163-Q190 PolarHBondContact OD2-NE2 3.14Å; D163-K194 IonicContact OD1-NZ 2.73Å; D163-K194 PolarHBondContact OD1-NZ 3.17Å; D163-K194 VanDerWaalsContact OD2-CD 3.31Å; D163-K194 WeakPolarHBondContact OD2-CD 3.38Å; D163-K194 VanDerWaalsContact OD2-CE 3.23Å; D163-K194 WeakPolarHBondContact OD2-CE 3.39Å; D163-K194 IonicContact OD2-NZ 2.93Å; D163-K194 PolarHBondContact OD2-NZ 3.37Å; D163-Y195 WeakPolarHBondContact OD2-CE2 3.37Å; D163-Y195 VanDerWaalsContact OD2-CZ 3.31Å; D163-Y195 PolarHBondContact OD2-OH 3.5Å
164	I	98.4	Very high	98.3	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-116.4	26.2	175.7	62.2	166.7	0	0	0	112	L160 L161 P162 G166 L191 Y195 Q368 F375	L160-I164 HydrophobicContact CD2-CD1 3.94Å; L160-I164 HydrophobicContact CD2-CG1 4.15Å; L160-I164 HydrophobicContact CD2-CG2 4.12Å; L161-I164 HydrophobicContact CD2-CD1 4.16Å; L161-I164 WeakPolarHBondContact O-CG1 3.26Å; L161-I164 PolarHBondContact O-N 3.14Å; P162-I164 PolarHBondContact O-N 3.48Å; I164-G166 VanDerWaalsContact C-N 3.27Å; I164-G166 PolarHBondContact O-N 3.15Å; I164-L191 HydrophobicContact CB-CD2 4.1Å; I164-L191 HydrophobicContact CD1-CD2 4.44Å; I164-L191 HydrophobicContact CG2-CD2 3.75Å; I164-L191 HydrophobicContact CG2-CG 4.46Å; I164-Y195 HydrophobicContact CG2-CD2 3.86Å; I164-Y195 HydrophobicContact CG2-CE2 3.47Å; I164-Y195 VanDerWaalsContact CG2-CE2 3.47Å; I164-Q368 PolarHBondContact O-NE2 2.97Å; I164-F375 HydrophobicContact CD1-CD1 4.13Å; I164-F375 HydrophobicContact CG2-CD1 4.44Å
165	Y	98.6	Very high	98.3	Very high	44 Å²	44	36.7 Å²	36.7	17%	0.173	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	29.1	-176.6	-60.4	-91.1	0	0	0	114	P162 W174 Y178 K186 Q190	P162-Y165 PolarHBondContact O-N 2.69Å; Y165-W174 PolarHBondContact O-NE1 2.87Å; Y165-Y178 HydrophobicContact CD1-CD1 4.48Å; Y165-K186 HydrophobicContact CE2-CB 4.45Å; Y165-K186 WeakPolarHBondContact OH-CB 3.45Å; Y165-Q190 HydrophobicContact CE2-CB 4.33Å
166	G	98.4	Very high	98.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.			trans	70.9	-176.4	176.4	0	0	0	0	0	114.4	L161 I164 S372	L161-G166 VanDerWaalsContact O-CA 3.24Å; L161-G166 WeakPolarHBondContact O-CA 3.34Å; L161-G166 PolarHBondContact O-N 3.33Å; I164-G166 VanDerWaalsContact C-N 3.27Å; I164-G166 PolarHBondContact O-N 3.15Å; G166-S372 WeakPolarHBondContact O-CB 3.39Å; G166-S372 PolarHBondContact O-OG 3.03Å
167	W	98.8	Very high	98.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.			trans	-123.6	107.6	166.1	-170.4	28.6	0	0	0	108	L161 V169 A170 S171 V252 A253 I256 M273 N369 W373 I376	L161-W167 HydrophobicContact CD2-CB 4.27Å; W167-V169 VanDerWaalsContact C-N 3.32Å; W167-V169 HydrophobicContact CD2-CG1 3.55Å; W167-V169 HydrophobicContact CE3-CG1 4Å; W167-V169 HydrophobicContact CG-CG1 4.01Å; W167-V169 HydrophobicContact CH2-CG1 4.16Å; W167-V169 HydrophobicContact CZ2-CG1 3.71Å; W167-V169 HydrophobicContact CZ3-CG1 4.29Å; W167-V169 PolarHBondContact O-N 3.47Å; W167-A170 HydrophobicContact CD2-CB 4.48Å; W167-A170 HydrophobicContact CE3-CB 3.91Å; W167-A170 CarbonylContact O-C 3.54Å; W167-A170 WeakPolarHBondContact O-CA 3.45Å; W167-A170 PolarHBondContact O-N 3.43Å; W167-S171 PolarHBondContact O-N 3.32Å; W167-S171 VanDerWaalsContact O-N 3.13Å; W167-S171 PolarHBondContact O-OG 2.89Å; W167-V252 HydrophobicContact CH2-CB 4.33Å; W167-V252 HydrophobicContact CH2-CG1 4.41Å; W167-V252 HydrophobicContact CZ3-CB 4.33Å; W167-V252 HydrophobicContact CZ3-CG1 4.01Å; W167-A253 HydrophobicContact CH2-CB 3.73Å; W167-A253 HydrophobicContact CZ2-CB 4.48Å; W167-A253 VanDerWaalsContact CZ3-CA 3.49Å; W167-A253 HydrophobicContact CZ3-CB 3.79Å; W167-I256 HydrophobicContact CE3-CD1 3.73Å; W167-I256 HydrophobicContact CZ3-CD1 3.81Å; W167-M273 HydrophobicContact CH2-SD 4.5Å; W167-M273 HydrophobicContact CZ2-SD 3.77Å; W167-N369 PolarHBondContact NE1-O 3.25Å; W167-W373 AromaticContact CH2-CE3 3.85Å; W167-W373 HydrophobicContact CH2-CE3 3.85Å; W167-W373 HydrophobicContact CH2-CZ3 4.3Å; W167-W373 HydrophobicContact CZ2-CB 4.05Å; W167-W373 HydrophobicContact CZ2-CD2 4.43Å; W167-W373 AromaticContact CZ2-CE3 3.81Å; W167-W373 HydrophobicContact CZ2-CE3 3.81Å; W167-I376 HydrophobicContact CB-CD1 3.88Å; W167-I376 HydrophobicContact CD2-CD1 3.5Å; W167-I376 VanDerWaalsContact CD2-CD1 3.5Å; W167-I376 HydrophobicContact CE3-CD1 3.49Å; W167-I376 VanDerWaalsContact CE3-CD1 3.49Å; W167-I376 HydrophobicContact CG-CD1 3.7Å; W167-I376 HydrophobicContact CZ3-CD1 4.15Å
168	P	98.8	Very high	98.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-55	-41	-166.3	-20.5	19.6	0	0	0	115.3	A170 S171 W174 R365 Q368 N369	P168-A170 PolarHBondContact O-N 3.41Å; P168-S171 PolarHBondContact O-N 2.81Å; P168-S171 VanDerWaalsContact O-N 3.13Å; P168-S171 VanDerWaalsContact O-O 3.1Å; P168-W174 HydrophobicContact CB-CB 4.14Å; P168-W174 HydrophobicContact CB-CD2 3.89Å; P168-W174 HydrophobicContact CB-CE3 4.47Å; P168-W174 HydrophobicContact CB-CG 3.67Å; P168-W174 HydrophobicContact CG-CD2 3.75Å; P168-W174 HydrophobicContact CG-CE3 4.36Å; P168-W174 HydrophobicContact CG-CG 3.92Å; P168-W174 HydrophobicContact CG-CZ2 4.23Å; P168-R365 HydrophobicContact CB-CG 3.47Å; P168-R365 VanDerWaalsContact CB-CG 3.47Å; P168-R365 HydrophobicContact CG-CG 3.94Å; P168-R365 PolarHBondContact O-NH2 3Å; P168-Q368 HydrophobicContact CG-CB 3.88Å; P168-Q368 HydrophobicContact CG-CG 4.14Å; P168-N369 WeakPolarHBondContact CB-OD1 3.45Å; P168-N369 VanDerWaalsContact CD-OD1 3.25Å; P168-N369 WeakPolarHBondContact CD-OD1 3.31Å; P168-N369 HydrophobicContact CG-CB 4.47Å; P168-N369 WeakPolarHBondContact CG-OD1 3.19Å
169	V	98.8	Very high	98	Very high	2 Å²	2	44 Å²	44	1%	0.012	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-60.1	-26.4	177.6	68.5	0	0	0	0	112.8	W167 A253 R257 L269 E272 M273 N369	W167-V169 VanDerWaalsContact C-N 3.32Å; W167-V169 HydrophobicContact CD2-CG1 3.55Å; W167-V169 HydrophobicContact CE3-CG1 4Å; W167-V169 HydrophobicContact CG-CG1 4.01Å; W167-V169 HydrophobicContact CH2-CG1 4.16Å; W167-V169 HydrophobicContact CZ2-CG1 3.71Å; W167-V169 HydrophobicContact CZ3-CG1 4.29Å; W167-V169 PolarHBondContact O-N 3.47Å; V169-A253 HydrophobicContact CG1-CB 3.89Å; V169-A253 HydrophobicContact CG2-CB 4.21Å; V169-R257 PolarHBondContact O-NH1 3.47Å; V169-L269 HydrophobicContact CG2-CD2 3.48Å; V169-L269 VanDerWaalsContact CG2-CD2 3.48Å; V169-E272 HydrophobicContact CB-CB 4.44Å; V169-E272 HydrophobicContact CG2-CB 4.05Å; V169-M273 HydrophobicContact CB-CE 3.64Å; V169-M273 HydrophobicContact CG1-CE 3.67Å; V169-M273 HydrophobicContact CG1-SD 4.15Å; V169-M273 HydrophobicContact CG2-CE 3.81Å; V169-N369 PolarHBondContact N-OD1 3.24Å
170	A	98.3	Very high	97.8	Very high	5 Å²	5	42 Å²	42	4%	0.041	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-109.1	12.7	-179.1	0	0	0	0	0	113.2	W167 P168 I256 R257 L262	W167-A170 HydrophobicContact CD2-CB 4.48Å; W167-A170 HydrophobicContact CE3-CB 3.91Å; W167-A170 CarbonylContact O-C 3.54Å; W167-A170 WeakPolarHBondContact O-CA 3.45Å; W167-A170 PolarHBondContact O-N 3.43Å; P168-A170 PolarHBondContact O-N 3.41Å; A170-I256 HydrophobicContact CB-CB 4.08Å; A170-I256 HydrophobicContact CB-CG2 3.57Å; A170-R257 HydrophobicContact CB-CG 4.24Å; A170-L262 WeakPolarHBondContact O-CD1 3.42Å
171	S	97.3	Very high	97.6	Very high	22 Å²	22	44.5 Å²	44.5	15%	0.154	25%	0.246	C	C	.	.	S	Bend	trans	-121.9	138.9	179.8	-52.7	0	0	0	0	110.5	W167 P168	W167-S171 PolarHBondContact O-N 3.32Å; W167-S171 VanDerWaalsContact O-N 3.13Å; W167-S171 PolarHBondContact O-OG 2.89Å; P168-S171 PolarHBondContact O-N 2.81Å; P168-S171 VanDerWaalsContact O-N 3.13Å; P168-S171 VanDerWaalsContact O-O 3.1Å
172	E	95.4	Very high	97.6	Very high	99 Å²	99	44.1 Å²	44.1	46%	0.463	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	143.1	167.4	-70.1	-169.5	160.2	0	0	110.7	W174 L262 P263	E172-W174 PolarHBondContact O-N 3.31Å; E172-W174 VanDerWaalsContact O-N 3.16Å; E172-L262 HydrophobicContact CG-CD1 4.23Å; E172-L262 HydrophobicContact CG-CD2 3.8Å; E172-P263 WeakPolarHBondContact OE1-CD 3.41Å
173	N	96.4	Very high	97.6	Very high	105 Å²	105	42.2 Å²	42.2	56%	0.561	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	45.1	175.1	-57.7	-50.5	0	0	0	112.5	E175 Q176 T177	N173-E175 PolarHBondContact O-N 3.43Å; N173-Q176 VanDerWaalsContact C-OE1 3.23Å; N173-Q176 HydrophobicContact CB-CB 4.41Å; N173-Q176 VanDerWaalsContact CB-OE1 3.29Å; N173-Q176 PolarHBondContact O-N 2.86Å; N173-Q176 PolarHBondContact O-OE1 3.04Å; N173-T177 PolarHBondContact O-N 2.93Å; N173-T177 PolarHBondContact O-OG1 3.18Å
174	W	98.4	Very high	97.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-37.7	-175	-178.6	90.2	0	0	0	111.5	Y165 P168 E172 Q176 T177 Y178 G179 W182 P364 R365 Q368	Y165-W174 PolarHBondContact O-NE1 2.87Å; P168-W174 HydrophobicContact CB-CB 4.14Å; P168-W174 HydrophobicContact CB-CD2 3.89Å; P168-W174 HydrophobicContact CB-CE3 4.47Å; P168-W174 HydrophobicContact CB-CG 3.67Å; P168-W174 HydrophobicContact CG-CD2 3.75Å; P168-W174 HydrophobicContact CG-CE3 4.36Å; P168-W174 HydrophobicContact CG-CG 3.92Å; P168-W174 HydrophobicContact CG-CZ2 4.23Å; E172-W174 PolarHBondContact O-N 3.31Å; E172-W174 VanDerWaalsContact O-N 3.16Å; W174-Q176 VanDerWaalsContact C-N 3.31Å; W174-Q176 PolarHBondContact O-N 2.95Å; W174-T177 PolarHBondContact O-N 2.68Å; W174-Y178 AromaticContact CD1-CD2 3.35Å; W174-Y178 HydrophobicContact CG-CD2 4.06Å; W174-Y178 AromaticContact NE1-CD2 3.44Å; W174-Y178 AromaticContact NE1-CG 3.87Å; W174-Y178 PolarHBondContact O-N 3.23Å; W174-G179 PolarHBondContact O-N 3.15Å; W174-W182 HydrophobicContact CH2-CB 4.43Å; W174-W182 AromaticContact CH2-CD1 3.75Å; W174-W182 HydrophobicContact CH2-CG 4.05Å; W174-W182 AromaticContact CZ2-CD1 3.83Å; W174-P364 HydrophobicContact CH2-CB 3.94Å; W174-P364 HydrophobicContact CZ3-CB 4.02Å; W174-R365 HydrophobicContact CE3-CB 4.19Å; W174-R365 HydrophobicContact CE3-CG 4.27Å; W174-R365 HydrophobicContact CZ3-CB 4.13Å; W174-Q368 HydrophobicContact CH2-CB 4.14Å; W174-Q368 HydrophobicContact CZ2-CB 3.72Å; W174-Q368 HydrophobicContact CZ2-CG 3.7Å
175	E	98.1	Very high	97.6	Very high	81 Å²	81	40.7 Å²	40.7	38%	0.379	22%	0.222	S	C	.	.	I	π-helix	trans	-61.3	-40.1	178.9	-67.1	70.5	-155.1	0	0	111.6	N173 G179 T180 R365	N173-E175 PolarHBondContact O-N 3.43Å; E175-G179 CarbonylContact O-C 3.5Å; E175-G179 WeakPolarHBondContact O-CA 3.46Å; E175-G179 PolarHBondContact O-N 3.26Å; E175-G179 VanDerWaalsContact O-N 3.13Å; E175-T180 PolarHBondContact O-N 2.89Å; E175-T180 VanDerWaalsContact O-N 3.12Å; E175-R365 VanDerWaalsContact OE1-CD 3.25Å; E175-R365 WeakPolarHBondContact OE1-CD 3.35Å; E175-R365 IonicContact OE1-CZ 2.83Å; E175-R365 IonicContact OE1-NE 2.79Å; E175-R365 IonicContact OE1-NH1 3.38Å; E175-R365 PolarHBondContact OE1-NH1 3Å; E175-R365 IonicContact OE2-NH1 2.9Å; E175-R365 PolarHBondContact OE2-NH1 2.8Å
176	Q	97.8	Very high	97.6	Very high	118 Å²	118	42.4 Å²	42.4	55%	0.551	23%	0.231	S	C	*	.	I	π-helix	trans	-73.7	-43.3	177.2	-64.5	79.5	2.4	0	0	111.3	N173 W174 T180	N173-Q176 VanDerWaalsContact C-OE1 3.23Å; N173-Q176 HydrophobicContact CB-CB 4.41Å; N173-Q176 VanDerWaalsContact CB-OE1 3.29Å; N173-Q176 PolarHBondContact O-N 2.86Å; N173-Q176 PolarHBondContact O-OE1 3.04Å; W174-Q176 VanDerWaalsContact C-N 3.31Å; W174-Q176 PolarHBondContact O-N 2.95Å; Q176-T180 PolarHBondContact O-OG1 2.83Å
177	T	97.6	Very high	97.6	Very high	79 Å²	79	42.5 Å²	42.5	49%	0.485	23%	0.231	S	C	.	.	I	π-helix	trans	-73.5	-46.4	-173.8	-53	0	0	0	0	112.5	N173 W174	N173-T177 PolarHBondContact O-N 2.93Å; N173-T177 PolarHBondContact O-OG1 3.18Å; W174-T177 PolarHBondContact O-N 2.68Å
178	Y	97.9	Very high	97.6	Very high	41 Å²	41	42.5 Å²	42.5	16%	0.161	23%	0.231	C	C	.	.	I	π-helix	trans	-119.4	-40.2	-174.2	-56.3	-75.2	0	0	0	112.1	P162 Y165 W174 T180 S181 W182	P162-Y178 HydrophobicContact CB-CE1 4.49Å; Y165-Y178 HydrophobicContact CD1-CD1 4.48Å; W174-Y178 AromaticContact CD1-CD2 3.35Å; W174-Y178 HydrophobicContact CG-CD2 4.06Å; W174-Y178 AromaticContact NE1-CD2 3.44Å; W174-Y178 AromaticContact NE1-CG 3.87Å; W174-Y178 PolarHBondContact O-N 3.23Å; Y178-T180 PolarHBondContact O-N 3.09Å; Y178-T180 VanDerWaalsContact O-N 3.1Å; Y178-S181 PolarHBondContact O-N 2.85Å; Y178-S181 PolarHBondContact O-OG 3.01Å; Y178-W182 WeakPolarHBondContact O-CB 3.27Å; Y178-W182 PolarHBondContact O-N 3.46Å
179	G	95.1	Very high	97.6	Very high	20 Å²	20	42.6 Å²	42.6	21%	0.206	23%	0.232	C	C	.	.	I	π-helix	trans	-57.1	-29.5	-173	0	0	0	0	0	115.2	W174 E175	W174-G179 PolarHBondContact O-N 3.15Å; E175-G179 CarbonylContact O-C 3.5Å; E175-G179 WeakPolarHBondContact O-CA 3.46Å; E175-G179 PolarHBondContact O-N 3.26Å; E175-G179 VanDerWaalsContact O-N 3.13Å
180	T	94.8	Very high	97.6	Very high	114 Å²	114	44.7 Å²	44.7	70%	0.699	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-35.3	176.7	54.8	0	0	0	0	113.5	E175 Q176 Y178	E175-T180 PolarHBondContact O-N 2.89Å; E175-T180 VanDerWaalsContact O-N 3.12Å; Q176-T180 PolarHBondContact O-OG1 2.83Å; Y178-T180 PolarHBondContact O-N 3.09Å; Y178-T180 VanDerWaalsContact O-N 3.1Å
181	S	95.5	Very high	97.6	Very high	65 Å²	65	44.5 Å²	44.5	46%	0.455	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-8.7	179.7	70.2	0	0	0	0	113.3	Y178 T183	Y178-S181 PolarHBondContact O-N 2.85Å; Y178-S181 PolarHBondContact O-OG 3.01Å; S181-T183 PolarHBondContact O-N 2.78Å
182	W	98.2	Very high	97.7	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.015	23%	0.233	C	C	.	.			trans	-65.1	130.1	-175.9	-171.1	95.3	0	0	0	111.6	W174 Y178 A184 S187 I316 N317 P364 L367 M371	W174-W182 HydrophobicContact CH2-CB 4.43Å; W174-W182 AromaticContact CH2-CD1 3.75Å; W174-W182 HydrophobicContact CH2-CG 4.05Å; W174-W182 AromaticContact CZ2-CD1 3.83Å; Y178-W182 WeakPolarHBondContact O-CB 3.27Å; Y178-W182 PolarHBondContact O-N 3.46Å; W182-A184 HydrophobicContact CH2-CB 3.78Å; W182-A184 HydrophobicContact CZ2-CB 4.49Å; W182-A184 HydrophobicContact CZ3-CB 4.17Å; W182-S187 PolarHBondContact NE1-OG 3.39Å; W182-I316 HydrophobicContact CH2-CG2 3.91Å; W182-I316 HydrophobicContact CZ3-CG2 4.21Å; W182-N317 HydrophobicContact CZ3-CB 4.07Å; W182-P364 HydrophobicContact CD2-CB 3.74Å; W182-P364 HydrophobicContact CD2-CG 4.4Å; W182-P364 HydrophobicContact CE3-CB 3.6Å; W182-P364 HydrophobicContact CE3-CG 3.76Å; W182-P364 HydrophobicContact CG-CB 4.31Å; W182-P364 HydrophobicContact CH2-CB 4.27Å; W182-P364 HydrophobicContact CZ2-CB 4.39Å; W182-P364 HydrophobicContact CZ3-CB 3.89Å; W182-P364 HydrophobicContact CZ3-CG 3.86Å; W182-L367 HydrophobicContact CH2-CD1 4.02Å; W182-L367 HydrophobicContact CZ2-CB 4.39Å; W182-M371 HydrophobicContact CZ2-CE 3.89Å
183	T	98.3	Very high	97.8	Very high	31 Å²	31	39.1 Å²	39.1	19%	0.19	21%	0.213	C	C	.	.			trans	-131.5	153.5	161.3	74.5	0	0	0	0	108.8	S181 E185 K186 S187	S181-T183 PolarHBondContact O-N 2.78Å; T183-E185 VanDerWaalsContact C-N 3.32Å; T183-E185 WeakPolarHBondContact CB-OE2 3.4Å; T183-E185 PolarHBondContact OG1-OE2 3.04Å; T183-K186 WeakPolarHBondContact OG1-CB 3.39Å; T183-K186 WeakPolarHBondContact OG1-CG 3.15Å; T183-K186 PolarHBondContact OG1-N 3.22Å; T183-S187 WeakPolarHBondContact O-CB 3.08Å; T183-S187 PolarHBondContact O-N 2.94Å; T183-S187 PolarHBondContact O-OG 3.07Å
184	A	98.3	Very high	97.9	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-42.6	179.3	0	0	0	0	0	110.6	W182 K186 S187 I188 I316 F321	W182-A184 HydrophobicContact CH2-CB 3.78Å; W182-A184 HydrophobicContact CZ2-CB 4.49Å; W182-A184 HydrophobicContact CZ3-CB 4.17Å; A184-K186 PolarHBondContact O-N 3.5Å; A184-S187 PolarHBondContact O-N 2.88Å; A184-I188 HydrophobicContact CB-CD1 4.33Å; A184-I188 WeakPolarHBondContact O-CB 3.38Å; A184-I188 WeakPolarHBondContact O-CD1 3.37Å; A184-I188 WeakPolarHBondContact O-CG1 3.14Å; A184-I188 PolarHBondContact O-N 2.81Å; A184-I316 HydrophobicContact CB-CB 4.03Å; A184-I316 HydrophobicContact CB-CD1 3.58Å; A184-I316 HydrophobicContact CB-CG1 4.39Å; A184-I316 HydrophobicContact CB-CG2 3.83Å; A184-F321 HydrophobicContact CB-CD2 4.01Å; A184-F321 HydrophobicContact CB-CE2 4.03Å
185	E	98.5	Very high	97.9	Very high	20 Å²	20	37.2 Å²	37.2	9%	0.093	20%	0.2	C	C	.	.	H	α-helix	trans	-53.8	-54	178.1	-61.3	86.2	164.4	0	0	110.9	T183 A189 F321 S322 N325 F326	T183-E185 VanDerWaalsContact C-N 3.32Å; T183-E185 WeakPolarHBondContact CB-OE2 3.4Å; T183-E185 PolarHBondContact OG1-OE2 3.04Å; E185-A189 WeakPolarHBondContact O-CB 3.33Å; E185-A189 PolarHBondContact O-N 3.49Å; E185-F321 HydrophobicContact CB-CE2 4.33Å; E185-F321 HydrophobicContact CG-CD2 3.84Å; E185-F321 HydrophobicContact CG-CE2 3.66Å; E185-F321 HydrophobicContact CG-CG 4.49Å; E185-F321 HydrophobicContact CG-CZ 4.13Å; E185-F321 WeakPolarHBondContact OE1-CA 3.4Å; E185-S322 PolarHBondContact OE1-N 2.96Å; E185-N325 WeakPolarHBondContact CB-OD1 3.46Å; E185-N325 HydrophobicContact CG-CB 4.48Å; E185-F326 HydrophobicContact CB-CB 4.07Å; E185-F326 HydrophobicContact CG-CB 3.97Å; E185-F326 WeakPolarHBondContact O-CD2 3.46Å
186	K	98.4	Very high	97.9	Very high	80 Å²	80	34.5 Å²	34.5	35%	0.348	19%	0.193	S	C	.	.	H	α-helix	trans	-68.3	-42.5	-177.8	-70.3	-178.6	176	-174.7	0	112.6	Y165 T183 A184 A189 Q190 E329	Y165-K186 HydrophobicContact CE2-CB 4.45Å; Y165-K186 WeakPolarHBondContact OH-CB 3.45Å; T183-K186 WeakPolarHBondContact OG1-CB 3.39Å; T183-K186 WeakPolarHBondContact OG1-CG 3.15Å; T183-K186 PolarHBondContact OG1-N 3.22Å; A184-K186 PolarHBondContact O-N 3.5Å; K186-A189 PolarHBondContact O-N 3.07Å; K186-Q190 WeakPolarHBondContact O-CB 3.34Å; K186-Q190 PolarHBondContact O-N 3.04Å; K186-E329 WeakPolarHBondContact CE-OE1 3.29Å; K186-E329 HydrophobicContact CG-CG 4.18Å
187	S	98.4	Very high	97.9	Very high	1 Å²	1	30 Å²	30	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-69.7	-40.7	-175.1	-51.3	0	0	0	0	111.8	W182 T183 A184 L191	W182-S187 PolarHBondContact NE1-OG 3.39Å; T183-S187 WeakPolarHBondContact O-CB 3.08Å; T183-S187 PolarHBondContact O-N 2.94Å; T183-S187 PolarHBondContact O-OG 3.07Å; A184-S187 PolarHBondContact O-N 2.88Å; S187-L191 PolarHBondContact O-N 3.14Å
188	I	98.8	Very high	98	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-69	-44.9	173.4	-59.2	164.6	0	0	0	109.8	A184 Q190 L191 N192 V199 L200 F321 F326 M371	A184-I188 HydrophobicContact CB-CD1 4.33Å; A184-I188 WeakPolarHBondContact O-CB 3.38Å; A184-I188 WeakPolarHBondContact O-CD1 3.37Å; A184-I188 WeakPolarHBondContact O-CG1 3.14Å; A184-I188 PolarHBondContact O-N 2.81Å; I188-Q190 VanDerWaalsContact C-N 3.33Å; I188-Q190 PolarHBondContact O-N 3.3Å; I188-L191 PolarHBondContact O-N 3.09Å; I188-N192 WeakPolarHBondContact O-CB 3.29Å; I188-N192 PolarHBondContact O-N 3.39Å; I188-V199 WeakPolarHBondContact CG2-O 3.21Å; I188-L200 HydrophobicContact CD1-CB 4.27Å; I188-L200 HydrophobicContact CD1-CD1 4.07Å; I188-L200 HydrophobicContact CG1-CD1 4.35Å; I188-F321 HydrophobicContact CD1-CE2 4.32Å; I188-F326 HydrophobicContact CB-CE2 3.85Å; I188-F326 HydrophobicContact CG2-CE2 3.54Å; I188-F326 HydrophobicContact CG2-CZ 3.81Å; I188-M371 HydrophobicContact CG1-SD 3.62Å
189	A	98.8	Very high	98	Very high	2 Å²	2	27 Å²	27	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-37.2	-179.6	0	0	0	0	0	112.8	E185 K186 N192 S193 F326 E329 I330	E185-A189 WeakPolarHBondContact O-CB 3.33Å; E185-A189 PolarHBondContact O-N 3.49Å; K186-A189 PolarHBondContact O-N 3.07Å; A189-N192 PolarHBondContact O-N 3.15Å; A189-S193 VanDerWaalsContact O-CB 3.27Å; A189-S193 WeakPolarHBondContact O-CB 3.32Å; A189-S193 PolarHBondContact O-N 2.87Å; A189-S193 PolarHBondContact O-OG 3.47Å; A189-F326 HydrophobicContact CB-CD2 4.11Å; A189-F326 HydrophobicContact CB-CE2 4.15Å; A189-E329 HydrophobicContact CB-CB 3.57Å; A189-I330 HydrophobicContact CB-CD1 4.34Å; A189-I330 HydrophobicContact CB-CG1 3.52Å
190	Q	98.7	Very high	98.2	Very high	46 Å²	46	26.4 Å²	26.4	22%	0.215	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-48.2	178.2	-177.4	68.3	12.3	0	0	111.6	D163 Y165 K186 I188 N192 K194	D163-Q190 VanDerWaalsContact CG-NE2 3.34Å; D163-Q190 WeakPolarHBondContact O-CG 3.45Å; D163-Q190 PolarHBondContact O-NE2 3.28Å; D163-Q190 PolarHBondContact OD1-NE2 3.25Å; D163-Q190 PolarHBondContact OD2-NE2 3.14Å; Y165-Q190 HydrophobicContact CE2-CB 4.33Å; K186-Q190 WeakPolarHBondContact O-CB 3.34Å; K186-Q190 PolarHBondContact O-N 3.04Å; I188-Q190 VanDerWaalsContact C-N 3.33Å; I188-Q190 PolarHBondContact O-N 3.3Å; Q190-N192 VanDerWaalsContact C-N 3.33Å; Q190-K194 WeakPolarHBondContact O-CB 3.41Å; Q190-K194 PolarHBondContact O-N 3.31Å
191	L	98.9	Very high	98.4	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-63.2	-40.9	175	-77.6	169.5	0	0	0	111.5	I164 S187 I188 Y195 G196 K197 V199 M371 F375	I164-L191 HydrophobicContact CB-CD2 4.1Å; I164-L191 HydrophobicContact CD1-CD2 4.44Å; I164-L191 HydrophobicContact CG2-CD2 3.75Å; I164-L191 HydrophobicContact CG2-CG 4.46Å; S187-L191 PolarHBondContact O-N 3.14Å; I188-L191 PolarHBondContact O-N 3.09Å; L191-Y195 CarbonylContact O-C 3.53Å; L191-Y195 WeakPolarHBondContact O-CB 3.44Å; L191-Y195 PolarHBondContact O-N 3.16Å; L191-G196 PolarHBondContact O-N 3.01Å; L191-K197 CarbonylContact C-O 3.57Å; L191-K197 VanDerWaalsContact C-O 3.24Å; L191-K197 HydrophobicContact CB-CB 4.31Å; L191-K197 HydrophobicContact CD2-CB 4.5Å; L191-K197 PolarHBondContact O-N 2.9Å; L191-V199 HydrophobicContact CB-CG2 4.49Å; L191-V199 HydrophobicContact CD1-CG2 3.77Å; L191-M371 HydrophobicContact CD1-CB 3.8Å; L191-F375 HydrophobicContact CD2-CB 4Å; L191-F375 HydrophobicContact CD2-CD1 3.66Å; L191-F375 HydrophobicContact CD2-CE1 4.47Å; L191-F375 HydrophobicContact CD2-CG 4.1Å
192	N	98.8	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66.7	-61	-179.9	-173.6	-61.4	0	0	0	112.2	I188 A189 Q190 G196 K197 F203 I330 Q519	I188-N192 WeakPolarHBondContact O-CB 3.29Å; I188-N192 PolarHBondContact O-N 3.39Å; A189-N192 PolarHBondContact O-N 3.15Å; Q190-N192 VanDerWaalsContact C-N 3.33Å; N192-G196 WeakPolarHBondContact O-CA 3.47Å; N192-G196 PolarHBondContact O-N 2.86Å; N192-K197 WeakPolarHBondContact CA-O 3.34Å; N192-K197 PolarHBondContact N-O 3.24Å; N192-F203 PolarHBondContact ND2-O 3.21Å; N192-I330 HydrophobicContact CB-CD1 3.92Å; N192-I330 HydrophobicContact CB-CG1 4.36Å; N192-Q519 VanDerWaalsContact O-CG 3.26Å; N192-Q519 WeakPolarHBondContact O-CG 3.24Å; N192-Q519 PolarHBondContact O-NE2 3.12Å; N192-Q519 PolarHBondContact OD1-NE2 2.99Å; N192-Q519 VanDerWaalsContact OD1-NE2 3.15Å
193	S	98.2	Very high	98.6	Very high	8 Å²	8	18.8 Å²	18.8	6%	0.056	10%	0.096	C	C	.	.	H	α-helix	trans	-71.8	-35.8	-168	62.2	0	0	0	0	113.7	A189 Q519	A189-S193 VanDerWaalsContact O-CB 3.27Å; A189-S193 WeakPolarHBondContact O-CB 3.32Å; A189-S193 PolarHBondContact O-N 2.87Å; A189-S193 PolarHBondContact O-OG 3.47Å; S193-Q519 WeakPolarHBondContact O-CG 3.32Å
194	K	97.9	Very high	98.6	Very high	58 Å²	58	19.2 Å²	19.2	25%	0.252	10%	0.095	S	C	.	.	H	α-helix	trans	-94.5	-32.7	-175.3	-165.9	170.2	179.9	176	0	112.8	D163 Q190 K516	D163-K194 IonicContact OD1-NZ 2.73Å; D163-K194 PolarHBondContact OD1-NZ 3.17Å; D163-K194 VanDerWaalsContact OD2-CD 3.31Å; D163-K194 WeakPolarHBondContact OD2-CD 3.38Å; D163-K194 VanDerWaalsContact OD2-CE 3.23Å; D163-K194 WeakPolarHBondContact OD2-CE 3.39Å; D163-K194 IonicContact OD2-NZ 2.93Å; D163-K194 PolarHBondContact OD2-NZ 3.37Å; Q190-K194 WeakPolarHBondContact O-CB 3.41Å; Q190-K194 PolarHBondContact O-N 3.31Å; K194-K516 VanDerWaalsContact CE-CE 3.45Å; K194-K516 HydrophobicContact CG-CD 4.27Å; K194-K516 HydrophobicContact CG-CG 3.94Å; K194-K516 WeakPolarHBondContact O-CA 3.29Å; K194-K516 WeakPolarHBondContact O-CG 3.44Å
195	Y	98.4	Very high	98.6	Very high	9 Å²	9	19.3 Å²	19.3	4%	0.035	10%	0.095	C	C	.	.	H	α-helix	trans	-118.9	-0.2	-173.1	-58.1	-70.2	0	0	0	113.7	L160 D163 I164 L191 K197 F375 I512	L160-Y195 HydrophobicContact CD1-CE1 3.78Å; L160-Y195 HydrophobicContact CG-CE1 4.45Å; D163-Y195 WeakPolarHBondContact OD2-CE2 3.37Å; D163-Y195 VanDerWaalsContact OD2-CZ 3.31Å; D163-Y195 PolarHBondContact OD2-OH 3.5Å; I164-Y195 HydrophobicContact CG2-CD2 3.86Å; I164-Y195 HydrophobicContact CG2-CE2 3.47Å; I164-Y195 VanDerWaalsContact CG2-CE2 3.47Å; L191-Y195 CarbonylContact O-C 3.53Å; L191-Y195 WeakPolarHBondContact O-CB 3.44Å; L191-Y195 PolarHBondContact O-N 3.16Å; Y195-K197 PolarHBondContact O-N 3.33Å; Y195-K197 VanDerWaalsContact O-N 3.15Å; Y195-F375 AromaticContact CD1-CE1 3.67Å; Y195-F375 HydrophobicContact CD1-CE1 3.67Å; Y195-F375 AromaticContact CD1-CZ 3.48Å; Y195-F375 HydrophobicContact CD1-CZ 3.48Å; Y195-F375 VanDerWaalsContact CD1-CZ 3.48Å; Y195-F375 AromaticContact CD2-CE1 3.86Å; Y195-F375 HydrophobicContact CD2-CE1 3.86Å; Y195-F375 HydrophobicContact CD2-CZ 4.39Å; Y195-F375 HydrophobicContact CE1-CE1 4.17Å; Y195-F375 HydrophobicContact CE1-CZ 4.25Å; Y195-F375 HydrophobicContact CE2-CE1 4.37Å; Y195-F375 HydrophobicContact CG-CD1 4.45Å; 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 3.55Å; Y195-F375 HydrophobicContact CG-CZ 3.55Å; Y195-I512 HydrophobicContact CD1-CD1 4.22Å; Y195-I512 HydrophobicContact CD1-CG2 4.42Å; Y195-I512 HydrophobicContact CE1-CD1 4.17Å; Y195-I512 HydrophobicContact CE1-CG2 3.81Å
196	G	98.3	Very high	98.6	Very high	23 Å²	23	19 Å²	19	24%	0.237	10%	0.098	C	C	.	.			trans	67.6	7.8	-177	0	0	0	0	0	113.8	L191 N192 K198	L191-G196 PolarHBondContact O-N 3.01Å; N192-G196 WeakPolarHBondContact O-CA 3.47Å; N192-G196 PolarHBondContact O-N 2.86Å; G196-K198 PolarHBondContact O-N 3.37Å
197	K	98.7	Very high	98.6	Very high	25 Å²	25	17 Å²	17	11%	0.109	9%	0.092	C	C	.	.			trans	-89.5	111.9	-172.5	-170.6	66.5	177.1	-165.8	0	110.9	L191 N192 Y195 V199 R374 F375 D378	L191-K197 CarbonylContact C-O 3.57Å; L191-K197 VanDerWaalsContact C-O 3.24Å; L191-K197 HydrophobicContact CB-CB 4.31Å; L191-K197 HydrophobicContact CD2-CB 4.5Å; L191-K197 PolarHBondContact O-N 2.9Å; N192-K197 WeakPolarHBondContact CA-O 3.34Å; N192-K197 PolarHBondContact N-O 3.24Å; Y195-K197 PolarHBondContact O-N 3.33Å; Y195-K197 VanDerWaalsContact O-N 3.15Å; K197-V199 HydrophobicContact CG-CG1 4.14Å; K197-R374 WeakPolarHBondContact CE-O 3.33Å; K197-R374 PolarHBondContact NZ-O 2.81Å; K197-F375 HydrophobicContact CB-CD2 4.42Å; K197-F375 HydrophobicContact CG-CB 4.1Å; K197-F375 HydrophobicContact CG-CD2 4.44Å; K197-F375 HydrophobicContact CG-CG 4.45Å; K197-D378 IonicContact NZ-OD1 3.85Å; K197-D378 IonicContact NZ-OD2 3.83Å; K197-D378 PolarHBondContact NZ-OD2 2.71Å
198	K	98.5	Very high	98.6	Very high	49 Å²	49	17.3 Å²	17.3	21%	0.213	9%	0.094	C	C	.	.			trans	-96.4	110.3	-176.6	-66.6	143.2	163	96.2	0	110	G196 N202 F203	G196-K198 PolarHBondContact O-N 3.37Å; K198-N202 HydrophobicContact CB-CB 4.26Å; K198-N202 WeakPolarHBondContact CD-OD1 3.5Å; K198-N202 VanDerWaalsContact CE-OD1 3.22Å; K198-N202 WeakPolarHBondContact CE-OD1 3.48Å; K198-N202 VanDerWaalsContact CG-OD1 3.27Å; K198-N202 WeakPolarHBondContact CG-OD1 3.47Å; K198-F203 WeakPolarHBondContact CE-O 3.16Å
199	V	98.6	Very high	98.5	Very high	6 Å²	6	18.6 Å²	18.6	4%	0.036	10%	0.101	C	C	.	.			trans	-131	142.7	-177.5	-68.7	0	0	0	0	110	I188 L191 K197 I201 M371 R374	I188-V199 WeakPolarHBondContact CG2-O 3.21Å; L191-V199 HydrophobicContact CB-CG2 4.49Å; L191-V199 HydrophobicContact CD1-CG2 3.77Å; K197-V199 HydrophobicContact CG-CG1 4.14Å; V199-I201 PolarHBondContact O-N 3.12Å; V199-M371 HydrophobicContact CB-CG 4.08Å; V199-M371 HydrophobicContact CG2-CB 3.94Å; V199-M371 HydrophobicContact CG2-CG 3.6Å; V199-M371 HydrophobicContact CG2-SD 3.91Å; V199-R374 HydrophobicContact CG1-CB 3.81Å; V199-R374 HydrophobicContact CG1-CG 4.28Å
200	L	98.7	Very high	98.5	Very high	9 Å²	9	23.4 Å²	23.4	5%	0.047	12%	0.121	C	C	.	.	S	Bend	trans	60.9	-51.3	-173.4	-51.1	-178.9	0	0	0	114.6	I188 P222 I283 Y351 L367 L370 M371	I188-L200 HydrophobicContact CD1-CB 4.27Å; I188-L200 HydrophobicContact CD1-CD1 4.07Å; I188-L200 HydrophobicContact CG1-CD1 4.35Å; L200-P222 WeakPolarHBondContact O-CD 3.46Å; L200-I283 HydrophobicContact CD2-CD1 3.51Å; L200-Y351 WeakPolarHBondContact O-CE1 3.39Å; L200-Y351 PolarHBondContact O-OH 3.41Å; L200-L367 HydrophobicContact CD1-CD2 4.3Å; L200-L370 HydrophobicContact CD2-CD2 4.31Å; L200-M371 HydrophobicContact CD1-CG 4.1Å; L200-M371 HydrophobicContact CD1-SD 3.72Å; L200-M371 HydrophobicContact CG-CG 4.17Å; L200-M371 HydrophobicContact CG-SD 4.24Å
201	I	98.9	Very high	98.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-130.2	120.5	178.3	-61.2	166.9	0	0	0	107.4	V199 F203 F219 L314 F321 W323 F326 L355	V199-I201 PolarHBondContact O-N 3.12Å; I201-F203 PolarHBondContact O-N 3.19Å; I201-F219 HydrophobicContact CG2-CD1 3.9Å; I201-L314 HydrophobicContact CD1-CD1 3.9Å; I201-F321 HydrophobicContact CD1-CE1 4.08Å; I201-F321 HydrophobicContact CD1-CZ 3.88Å; I201-W323 HydrophobicContact CD1-CH2 3.83Å; I201-W323 HydrophobicContact CD1-CZ3 4.08Å; I201-W323 HydrophobicContact CG1-CH2 4.41Å; I201-W323 HydrophobicContact CG2-CH2 4.13Å; I201-W323 HydrophobicContact CG2-CZ3 3.86Å; I201-F326 HydrophobicContact CG2-CE1 4.03Å; I201-F326 HydrophobicContact CG2-CZ 4.45Å; I201-L355 HydrophobicContact CG1-CD2 4.23Å
202	N	98.8	Very high	98.4	Very high	22 Å²	22	24.1 Å²	24.1	12%	0.118	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	98.7	175.4	177.6	15.7	0	0	0	110	K198 F219 D220 Q221	K198-N202 HydrophobicContact CB-CB 4.26Å; K198-N202 WeakPolarHBondContact CD-OD1 3.5Å; K198-N202 VanDerWaalsContact CE-OD1 3.22Å; K198-N202 WeakPolarHBondContact CE-OD1 3.48Å; K198-N202 VanDerWaalsContact CG-OD1 3.27Å; K198-N202 WeakPolarHBondContact CG-OD1 3.47Å; N202-F219 CarbonylContact O-C 3.42Å; N202-F219 WeakPolarHBondContact O-CA 3.25Å; N202-D220 HydrophobicContact CB-CB 4.25Å; N202-D220 VanDerWaalsContact CB-O 3.31Å; N202-D220 WeakPolarHBondContact CB-O 3.14Å; N202-D220 PolarHBondContact N-O 2.94Å; N202-D220 PolarHBondContact O-N 3.41Å; N202-Q221 WeakPolarHBondContact CB-O 3.29Å
203	F	98.8	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.5	168.4	175.2	-78.9	0	0	0	110.4	N192 K198 I201 I217 H218 F219 F326 T327 I330 M331 L523	N192-F203 PolarHBondContact ND2-O 3.21Å; K198-F203 WeakPolarHBondContact CE-O 3.16Å; I201-F203 PolarHBondContact O-N 3.19Å; F203-I217 HydrophobicContact CD2-CG2 3.79Å; F203-I217 HydrophobicContact CE2-CB 4.27Å; F203-I217 HydrophobicContact CE2-CD1 4.03Å; F203-I217 HydrophobicContact CE2-CG1 4.1Å; F203-I217 HydrophobicContact CE2-CG2 3.22Å; F203-I217 HydrophobicContact CZ-CB 4.44Å; F203-I217 HydrophobicContact CZ-CD1 3.91Å; F203-I217 HydrophobicContact CZ-CG1 3.86Å; F203-I217 HydrophobicContact CZ-CG2 3.81Å; F203-H218 WeakPolarHBondContact CA-O 3.37Å; F203-F219 HydrophobicContact CB-CE1 4.45Å; F203-F219 HydrophobicContact CD2-CD1 4.22Å; F203-F219 AromaticContact CD2-CE1 3.58Å; F203-F219 HydrophobicContact CD2-CE1 3.58Å; F203-F219 HydrophobicContact CD2-CE2 4.49Å; F203-F219 AromaticContact CD2-CZ 3.73Å; F203-F219 HydrophobicContact CD2-CZ 3.73Å; F203-F219 HydrophobicContact CE2-CE1 4.37Å; F203-F219 HydrophobicContact CE2-CZ 4.08Å; F203-F326 HydrophobicContact CB-CE1 4.02Å; F203-F326 HydrophobicContact CB-CZ 4.02Å; F203-F326 HydrophobicContact CD2-CE1 4.37Å; F203-T327 HydrophobicContact CE2-CG2 3.74Å; F203-T327 HydrophobicContact CZ-CG2 4.16Å; F203-I330 HydrophobicContact CB-CD1 3.9Å; F203-I330 HydrophobicContact CD1-CD1 3.59Å; F203-I330 HydrophobicContact CD1-CG2 3.89Å; F203-I330 HydrophobicContact CD2-CD1 4.25Å; F203-I330 HydrophobicContact CE1-CB 4.28Å; F203-I330 HydrophobicContact CE1-CD1 4.18Å; F203-I330 HydrophobicContact CE1-CG2 3.57Å; F203-I330 HydrophobicContact CG-CD1 3.65Å; F203-I330 HydrophobicContact CZ-CG2 4.3Å; F203-M331 HydrophobicContact CE1-SD 3.95Å; F203-M331 HydrophobicContact CZ-CG 4.02Å; F203-M331 HydrophobicContact CZ-SD 3.77Å; F203-L523 HydrophobicContact CE1-CD2 3.88Å
204	F	98.8	Very high	98.4	Very high	40 Å²	40	30.4 Å²	30.4	18%	0.175	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	161.7	168.9	65.3	-82	0	0	0	112.6	H218 D220 Y347	F204-H218 HydrophobicContact CD1-CB 3.9Å; F204-H218 HydrophobicContact CD2-CB 4.1Å; F204-H218 HydrophobicContact CE1-CB 3.48Å; F204-H218 VanDerWaalsContact CE1-CB 3.48Å; F204-H218 HydrophobicContact CE2-CB 3.69Å; F204-H218 AromaticContact CE2-CG 3.72Å; F204-H218 AromaticContact CE2-ND1 3.81Å; F204-H218 HydrophobicContact CG-CB 4.19Å; F204-H218 HydrophobicContact CZ-CB 3.37Å; F204-H218 AromaticContact CZ-CG 3.71Å; F204-H218 PolarHBondContact N-O 3.15Å; F204-H218 VanDerWaalsContact N-O 3.1Å; F204-H218 PolarHBondContact O-N 2.91Å; F204-D220 HydrophobicContact CE1-CB 4.42Å; F204-Y347 HydrophobicContact CZ-CD2 4.42Å; F204-Y347 HydrophobicContact CZ-CE2 4.02Å
205	V	98.8	Very high	98.4	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.03	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.4	169.5	174.8	0	0	0	0	107.9	H215 I217 M331 Q522 L523 K525 L526	V205-H215 HydrophobicContact CG1-CB 3.91Å; V205-I217 HydrophobicContact CG2-CG1 4.39Å; V205-M331 HydrophobicContact CG2-CE 4.45Å; V205-M331 HydrophobicContact CG2-SD 4.2Å; V205-Q522 HydrophobicContact CB-CG 4.44Å; V205-Q522 WeakPolarHBondContact O-CG 3.14Å; V205-L523 HydrophobicContact CG2-CD2 4Å; V205-K525 HydrophobicContact CG1-CB 4.48Å; V205-L526 HydrophobicContact CG1-CB 3.87Å; V205-L526 HydrophobicContact CG1-CD1 4.18Å; V205-L526 HydrophobicContact CG2-CB 4.08Å; V205-L526 HydrophobicContact CG2-CD1 4.37Å
206	G	98	Very high	98.4	Very high	15 Å²	15	28.6 Å²	28.6	16%	0.155	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	173	-178.9	0	0	0	0	0	110.9	H215 I216	G206-H215 CarbonylContact O-C 3.58Å; G206-H215 WeakPolarHBondContact O-CA 3.4Å; G206-H215 WeakPolarHBondContact O-CB 3.5Å; G206-I216 PolarHBondContact N-O 2.75Å; G206-I216 VanDerWaalsContact N-O 3.13Å; G206-I216 PolarHBondContact O-N 3.25Å
207	T	98.1	Very high	98.4	Very high	36 Å²	36	27.5 Å²	27.5	22%	0.221	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	139.2	174.1	-58.7	0	0	0	0	110.4	D209 H214 H218 V530	T207-D209 PolarHBondContact O-N 3.24Å; T207-H214 WeakPolarHBondContact CA-O 3.38Å; T207-H218 PolarHBondContact O-CE1 2.92Å; T207-H218 VanDerWaalsContact O-CE1 3.26Å; T207-V530 HydrophobicContact CG2-CG2 3.98Å
208	D	98.6	Very high	98.4	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.043	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	116.6	170.6	-174.8	-19.3	0	0	0	109.1	K210 N211 S212 H214 I216 Y300 K302	D208-K210 PolarHBondContact O-N 2.98Å; D208-K210 VanDerWaalsContact O-N 3.17Å; D208-K210 PolarHBondContact OD1-N 3.4Å; D208-N211 HydrophobicContact CB-CB 4.3Å; D208-N211 CarbonylContact O-C 3.4Å; D208-N211 PolarHBondContact O-N 3.47Å; D208-S212 PolarHBondContact O-N 3.4Å; D208-H214 PolarHBondContact N-O 3.06Å; D208-I216 HydrophobicContact CB-CB 4.09Å; D208-I216 HydrophobicContact CB-CG2 3.61Å; D208-Y300 VanDerWaalsContact OD1-CE2 3.32Å; D208-Y300 WeakPolarHBondContact OD1-CE2 3.42Å; D208-Y300 PolarHBondContact OD1-OH 3.27Å; D208-Y300 PolarHBondContact OD2-OH 3.29Å; D208-K302 IonicContact OD2-NZ 3.24Å; D208-K302 PolarHBondContact OD2-NZ 2.79Å
209	D	98.2	Very high	98.5	Very high	29 Å²	29	24.1 Å²	24.1	16%	0.155	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-34.1	-178.9	-61.9	-42.9	0	0	0	112.3	T207 Y300 Y347 F597 D602 L603	T207-D209 PolarHBondContact O-N 3.24Å; D209-Y300 HydrophobicContact CB-CD2 3.72Å; D209-Y300 HydrophobicContact CB-CE2 3.84Å; D209-Y347 PolarHBondContact OD2-OH 3.28Å; D209-F597 HydrophobicContact CB-CE1 4.13Å; D209-D602 CarbonylContact O-C 3.24Å; D209-D602 WeakPolarHBondContact O-CA 3.3Å; D209-L603 HydrophobicContact CB-CB 4Å; D209-L603 HydrophobicContact CB-CD2 4.03Å; D209-L603 VanDerWaalsContact O-CB 3.28Å; D209-L603 WeakPolarHBondContact O-CB 3.38Å; D209-L603 PolarHBondContact O-N 3.34Å
210	K	98.6	Very high	98.5	Very high	102 Å²	102	24.8 Å²	24.8	44%	0.443	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.2	178.9	-66.7	-163.8	177.3	-176.6	0	113.7	D208 Y300 L603	D208-K210 PolarHBondContact O-N 2.98Å; D208-K210 VanDerWaalsContact O-N 3.17Å; D208-K210 PolarHBondContact OD1-N 3.4Å; K210-Y300 HydrophobicContact CB-CE1 4.3Å; K210-Y300 HydrophobicContact CB-CE2 4.39Å; K210-Y300 HydrophobicContact CD-CD1 3.78Å; K210-Y300 HydrophobicContact CD-CE1 3.46Å; K210-Y300 VanDerWaalsContact CD-CE1 3.46Å; K210-Y300 VanDerWaalsContact CE-CD1 3.46Å; K210-Y300 HydrophobicContact CG-CD1 4.06Å; K210-Y300 HydrophobicContact CG-CD2 4.39Å; K210-Y300 HydrophobicContact CG-CE1 3.68Å; K210-Y300 HydrophobicContact CG-CE2 4.02Å; K210-Y300 HydrophobicContact CG-CG 4.39Å; K210-L603 HydrophobicContact CG-CB 4.03Å; K210-L603 HydrophobicContact CG-CD2 4.27Å; K210-L603 HydrophobicContact CG-CG 4.44Å
211	N	98.1	Very high	98.5	Very high	61 Å²	61	25.7 Å²	25.7	33%	0.326	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	84	173.4	-172.3	-16	0	0	0	110.6	D208 T213 H214	D208-N211 HydrophobicContact CB-CB 4.3Å; D208-N211 CarbonylContact O-C 3.4Å; D208-N211 PolarHBondContact O-N 3.47Å; N211-T213 PolarHBondContact O-N 3.38Å; N211-T213 PolarHBondContact OD1-N 2.9Å; N211-T213 PolarHBondContact OD1-OG1 2.95Å; N211-H214 PolarHBondContact ND2-CD2 3.44Å; N211-H214 PolarHBondContact O-N 3.39Å
212	S	97.2	Very high	98.5	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	-3.3	-176.4	60.6	0	0	0	0	115.7	D208 V530 K532 G549 D600 D602	D208-S212 PolarHBondContact O-N 3.4Å; S212-V530 WeakPolarHBondContact O-CB 3.3Å; S212-V530 WeakPolarHBondContact O-CG2 3.14Å; S212-K532 WeakPolarHBondContact O-CE 3.23Å; S212-K532 PolarHBondContact OG-NZ 2.68Å; S212-G549 VanDerWaalsContact CB-O 3.31Å; S212-G549 WeakPolarHBondContact CB-O 3.39Å; S212-D600 PolarHBondContact OG-O 2.87Å; S212-D600 VanDerWaalsContact OG-O 3.06Å; S212-D602 WeakPolarHBondContact CB-OD1 3.39Å; S212-D602 PolarHBondContact N-OD1 2.99Å; S212-D602 PolarHBondContact OG-OD1 2.83Å
213	T	97.6	Very high	98.5	Very high	56 Å²	56	35.7 Å²	35.7	34%	0.344	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-12.6	177	69.5	0	0	0	0	113.4	N211 K529 V530	N211-T213 PolarHBondContact O-N 3.38Å; N211-T213 PolarHBondContact OD1-N 2.9Å; N211-T213 PolarHBondContact OD1-OG1 2.95Å; T213-K529 WeakPolarHBondContact O-CA 3.13Å; T213-V530 PolarHBondContact O-N 3.38Å
214	H	97.9	Very high	98.5	Very high	85 Å²	85	37 Å²	37	39%	0.394	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	159.7	-176.6	-72.7	-82.2	0	0	0	112	T207 D208 N211	T207-H214 WeakPolarHBondContact CA-O 3.38Å; D208-H214 PolarHBondContact N-O 3.06Å; N211-H214 PolarHBondContact ND2-CD2 3.44Å; N211-H214 PolarHBondContact O-N 3.39Å
215	H	98.7	Very high	98.4	Very high	20 Å²	20	35.5 Å²	35.5	9%	0.093	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	151.2	168.7	-59.7	92.2	0	0	0	110.2	V205 G206 K525 E528	V205-H215 HydrophobicContact CG1-CB 3.91Å; G206-H215 CarbonylContact O-C 3.58Å; G206-H215 WeakPolarHBondContact O-CA 3.4Å; G206-H215 WeakPolarHBondContact O-CB 3.5Å; H215-K525 WeakPolarHBondContact CB-O 3.46Å; H215-K525 PolarHBondContact ND1-O 2.78Å; H215-E528 PolarHBondContact ND1-O 3.21Å
216	I	98.8	Very high	98.4	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.046	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.4	176.7	-169.4	159.4	0	0	0	110.1	G206 D208 H218 K302 E343 V345	G206-I216 PolarHBondContact N-O 2.75Å; G206-I216 VanDerWaalsContact N-O 3.13Å; G206-I216 PolarHBondContact O-N 3.25Å; D208-I216 HydrophobicContact CB-CB 4.09Å; D208-I216 HydrophobicContact CB-CG2 3.61Å; I216-H218 WeakPolarHBondContact CG2-CE1 3.25Å; I216-H218 PolarHBondContact O-CE1 2.89Å; I216-H218 PolarHBondContact O-ND1 3.41Å; I216-K302 HydrophobicContact CD1-CD 4.39Å; I216-E343 HydrophobicContact CD1-CB 4.1Å; I216-E343 WeakPolarHBondContact CD1-O 3.49Å; I216-E343 WeakPolarHBondContact CG1-O 3.31Å; I216-V345 HydrophobicContact CD1-CG2 3.86Å; I216-V345 HydrophobicContact CG1-CG2 4.28Å; I216-V345 HydrophobicContact CG2-CG2 3.82Å
217	I	98.9	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	132.4	172.4	-71	170.8	0	0	0	109.1	F203 V205 F219 T327 M331 I338 E342 V344 V345 L526	F203-I217 HydrophobicContact CD2-CG2 3.79Å; F203-I217 HydrophobicContact CE2-CB 4.27Å; F203-I217 HydrophobicContact CE2-CD1 4.03Å; F203-I217 HydrophobicContact CE2-CG1 4.1Å; F203-I217 HydrophobicContact CE2-CG2 3.22Å; F203-I217 HydrophobicContact CZ-CB 4.44Å; F203-I217 HydrophobicContact CZ-CD1 3.91Å; F203-I217 HydrophobicContact CZ-CG1 3.86Å; F203-I217 HydrophobicContact CZ-CG2 3.81Å; V205-I217 HydrophobicContact CG2-CG1 4.39Å; I217-F219 HydrophobicContact CG2-CD2 4.15Å; I217-F219 HydrophobicContact CG2-CE2 3.63Å; I217-F219 HydrophobicContact CG2-CZ 4.08Å; I217-T327 HydrophobicContact CD1-CG2 3.82Å; I217-M331 HydrophobicContact CD1-CG 4.49Å; I217-I338 HydrophobicContact CD1-CD1 4.08Å; I217-I338 HydrophobicContact CD1-CG1 4.32Å; I217-E342 HydrophobicContact CD1-CG 4.35Å; I217-V344 HydrophobicContact CB-CB 4.43Å; I217-V344 HydrophobicContact CB-CG1 3.92Å; I217-V344 HydrophobicContact CG2-CB 4.3Å; I217-V344 HydrophobicContact CG2-CG1 3.89Å; I217-V344 WeakPolarHBondContact O-CA 3.49Å; I217-V345 PolarHBondContact O-N 2.91Å; I217-L526 HydrophobicContact CD1-CD2 3.85Å; I217-L526 HydrophobicContact CG1-CD1 3.87Å; I217-L526 HydrophobicContact CG1-CD2 3.93Å
218	H	98.9	Very high	98.5	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.3	175.7	-64.5	81.4	0	0	0	111.1	F203 F204 T207 I216 V345 Y347	F203-H218 WeakPolarHBondContact CA-O 3.37Å; F204-H218 HydrophobicContact CD1-CB 3.9Å; F204-H218 HydrophobicContact CD2-CB 4.1Å; F204-H218 HydrophobicContact CE1-CB 3.48Å; F204-H218 VanDerWaalsContact CE1-CB 3.48Å; F204-H218 HydrophobicContact CE2-CB 3.69Å; F204-H218 AromaticContact CE2-CG 3.72Å; F204-H218 AromaticContact CE2-ND1 3.81Å; F204-H218 HydrophobicContact CG-CB 4.19Å; F204-H218 HydrophobicContact CZ-CB 3.37Å; F204-H218 AromaticContact CZ-CG 3.71Å; F204-H218 PolarHBondContact N-O 3.15Å; F204-H218 VanDerWaalsContact N-O 3.1Å; F204-H218 PolarHBondContact O-N 2.91Å; T207-H218 PolarHBondContact O-CE1 2.92Å; T207-H218 VanDerWaalsContact O-CE1 3.26Å; I216-H218 WeakPolarHBondContact CG2-CE1 3.25Å; I216-H218 PolarHBondContact O-CE1 2.89Å; I216-H218 PolarHBondContact O-ND1 3.41Å; H218-V345 CarbonylContact C-O 3.48Å; H218-V345 VanDerWaalsContact CA-O 3.29Å; H218-V345 WeakPolarHBondContact CA-O 3.44Å; H218-Y347 HydrophobicContact CB-CE2 4.49Å; H218-Y347 AromaticContact CD2-CE2 3.4Å; H218-Y347 VanDerWaalsContact CD2-CE2 3.4Å; H218-Y347 WeakPolarHBondContact CD2-CE2 3.39Å; H218-Y347 AromaticContact CD2-CZ 3.42Å; H218-Y347 VanDerWaalsContact CD2-CZ 3.42Å; H218-Y347 PolarHBondContact CD2-OH 3.09Å; H218-Y347 AromaticContact NE2-CZ 3.86Å; H218-Y347 PolarHBondContact NE2-OH 3.43Å
219	F	98.9	Very high	98.5	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.5	167.4	-65.7	-86.2	0	0	0	110.2	I201 N202 F203 I217 M305 L308 W323 F326 V344 V345 V346 Y347	I201-F219 HydrophobicContact CG2-CD1 3.9Å; N202-F219 CarbonylContact O-C 3.42Å; N202-F219 WeakPolarHBondContact O-CA 3.25Å; F203-F219 HydrophobicContact CB-CE1 4.45Å; F203-F219 HydrophobicContact CD2-CD1 4.22Å; F203-F219 AromaticContact CD2-CE1 3.58Å; F203-F219 HydrophobicContact CD2-CE1 3.58Å; F203-F219 HydrophobicContact CD2-CE2 4.49Å; F203-F219 AromaticContact CD2-CZ 3.73Å; F203-F219 HydrophobicContact CD2-CZ 3.73Å; F203-F219 HydrophobicContact CE2-CE1 4.37Å; F203-F219 HydrophobicContact CE2-CZ 4.08Å; I217-F219 HydrophobicContact CG2-CD2 4.15Å; I217-F219 HydrophobicContact CG2-CE2 3.63Å; I217-F219 HydrophobicContact CG2-CZ 4.08Å; F219-M305 HydrophobicContact CE2-CE 4.07Å; F219-M305 HydrophobicContact CZ-CE 4.11Å; F219-M305 HydrophobicContact CZ-SD 4.43Å; F219-L308 HydrophobicContact CD2-CD2 3.79Å; F219-L308 HydrophobicContact CE1-CD2 4.38Å; F219-L308 HydrophobicContact CE2-CD2 3.47Å; F219-L308 VanDerWaalsContact CE2-CD2 3.47Å; F219-L308 HydrophobicContact CG-CD2 4.38Å; F219-L308 HydrophobicContact CZ-CD2 3.8Å; F219-W323 HydrophobicContact CD1-CE3 4.08Å; F219-W323 AromaticContact CD1-CZ3 3.52Å; F219-W323 HydrophobicContact CD1-CZ3 3.52Å; F219-W323 AromaticContact CE1-CE3 3.59Å; F219-W323 HydrophobicContact CE1-CE3 3.59Å; F219-W323 AromaticContact CE1-CZ3 3.49Å; F219-W323 HydrophobicContact CE1-CZ3 3.49Å; F219-W323 VanDerWaalsContact CE1-CZ3 3.49Å; F219-W323 HydrophobicContact CG-CZ3 4.3Å; F219-W323 HydrophobicContact CZ-CE3 4.01Å; F219-W323 HydrophobicContact CZ-CZ3 4.29Å; F219-F326 HydrophobicContact CE1-CD1 4.08Å; F219-F326 AromaticContact CE1-CE1 3.84Å; F219-F326 HydrophobicContact CE1-CE1 3.84Å; F219-V344 HydrophobicContact CD2-CB 4.15Å; F219-V344 HydrophobicContact CD2-CG2 4.15Å; F219-V344 HydrophobicContact CE2-CB 3.97Å; F219-V344 HydrophobicContact CE2-CG1 4.01Å; F219-V344 HydrophobicContact CE2-CG2 4.05Å; F219-V345 PolarHBondContact N-O 2.88Å; F219-V346 HydrophobicContact CB-CG2 4.45Å; F219-V346 CarbonylContact O-C 3.33Å; F219-V346 WeakPolarHBondContact O-CA 3.24Å; F219-Y347 PolarHBondContact O-N 3.11Å
220	D	98.9	Very high	98.5	Very high	19 Å²	19	38 Å²	38	10%	0.102	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	172.9	-179.4	-160.1	7.2	0	0	0	111.8	N202 F204 R293 Y347 A348	N202-D220 HydrophobicContact CB-CB 4.25Å; N202-D220 VanDerWaalsContact CB-O 3.31Å; N202-D220 WeakPolarHBondContact CB-O 3.14Å; N202-D220 PolarHBondContact N-O 2.94Å; N202-D220 PolarHBondContact O-N 3.41Å; F204-D220 HydrophobicContact CE1-CB 4.42Å; D220-R293 VanDerWaalsContact CG-NH2 3.28Å; D220-R293 IonicContact OD1-CZ 3.94Å; D220-R293 IonicContact OD1-NH1 3.62Å; D220-R293 PolarHBondContact OD1-NH1 2.8Å; D220-R293 IonicContact OD1-NH2 2.94Å; D220-R293 PolarHBondContact OD1-NH2 3.36Å; D220-R293 IonicContact OD2-CZ 3.36Å; D220-R293 IonicContact OD2-NH1 3.08Å; D220-R293 IonicContact OD2-NH2 3.42Å; D220-R293 PolarHBondContact OD2-NH2 2.73Å; D220-Y347 HydrophobicContact CB-CD2 4.32Å; D220-A348 WeakPolarHBondContact OD1-CB 3.35Å
221	Q	98.8	Very high	98.5	Very high	29 Å²	29	33.2 Å²	33.2	14%	0.136	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-65.6	144.2	168.2	67.4	-169.5	44.5	0	0	110.9	N202 T287 T288 A348 Y351	N202-Q221 WeakPolarHBondContact CB-O 3.29Å; Q221-T287 HydrophobicContact CB-CG2 4.21Å; Q221-T288 PolarHBondContact NE2-O 3.1Å; Q221-A348 HydrophobicContact CB-CB 4.08Å; Q221-Y351 HydrophobicContact CB-CD1 3.85Å; Q221-Y351 HydrophobicContact CB-CD2 4.19Å; Q221-Y351 HydrophobicContact CB-CE1 4.22Å; Q221-Y351 HydrophobicContact CB-CG 3.84Å
222	P	98.7	Very high	98.5	Very high	11 Å²	11	31 Å²	31	7%	0.071	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-76.7	161.9	178.9	34	-36.8	0	0	0	112	L200 I283 Y351	L200-P222 WeakPolarHBondContact O-CD 3.46Å; P222-I283 HydrophobicContact CG-CG2 4.42Å; P222-Y351 VanDerWaalsContact CD-CZ 3.49Å; P222-Y351 WeakPolarHBondContact CD-OH 3.39Å
223	R	98.4	Very high	98.6	Very high	221 Å²	221	36.9 Å²	36.9	83%	0.834	18%	0.175	S	C	*	.	P	Polyproline II helix	trans	-74.2	147.1	165.5	-66.6	-175	-176.9	177.8	0.2	110.8	R374	R223-R374 PolarHBondContact O-NH2 2.95Å
224	L	98.8	Very high	98.6	Very high	26 Å²	26	35.2 Å²	35.2	14%	0.136	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-92.9	162.4	-178.8	-55.9	172	0	0	0	111.7	L226 R229 Y232 E280 I283 A284 T287 R374	L224-L226 CarbonylContact C-O 3.51Å; L224-R229 HydrophobicContact CD1-CB 4.12Å; L224-Y232 HydrophobicContact CB-CE2 3.79Å; L224-Y232 HydrophobicContact CD1-CD2 4.12Å; L224-Y232 HydrophobicContact CD1-CE2 3.67Å; L224-Y232 HydrophobicContact CG-CE2 4.22Å; L224-E280 HydrophobicContact CD2-CG 4.39Å; L224-I283 HydrophobicContact CD2-CG2 4.09Å; L224-A284 HydrophobicContact CD1-CB 3.64Å; L224-A284 HydrophobicContact CD2-CB 4.12Å; L224-T287 HydrophobicContact CD2-CG2 4.43Å; L224-R374 VanDerWaalsContact C-CZ 3.5Å; L224-R374 PolarHBondContact O-NH2 2.9Å
225	G	98.4	Very high	98.6	Very high	10 Å²	10	35.5 Å²	35.5	10%	0.103	17%	0.173	C	C	.	.	S	Bend	trans	-71.5	-34.3	176.5	0	0	0	0	0	114.6	Y232 Y245 E280 R374	G225-Y232 PolarHBondContact N-OH 3.42Å; G225-Y245 WeakPolarHBondContact CA-OH 3.4Å; G225-E280 PolarHBondContact N-OE1 3.19Å; G225-R374 VanDerWaalsContact CA-NH1 3.34Å; G225-R374 VanDerWaalsContact N-CZ 3.34Å
226	L	98.8	Very high	98.5	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	20%	0.204	C	C	.	.	S	Bend	trans	-87.6	160.1	166.8	-71.7	159.8	0	0	0	110.8	L224 S228 Y231 Y232 A241 Y245 M277 F394 L398	L224-L226 CarbonylContact C-O 3.51Å; L226-S228 PolarHBondContact O-N 2.99Å; L226-Y231 HydrophobicContact CB-CG 4.24Å; L226-Y231 HydrophobicContact CD2-CD1 4.17Å; L226-Y232 HydrophobicContact CB-CD2 4.47Å; L226-Y232 HydrophobicContact CB-CE2 3.7Å; L226-Y232 HydrophobicContact CD1-CD1 4.38Å; L226-Y232 HydrophobicContact CD1-CE1 4.03Å; L226-Y232 HydrophobicContact CD1-CE2 4.17Å; L226-Y232 HydrophobicContact CG-CE2 4.46Å; L226-Y232 PolarHBondContact N-OH 3.24Å; L226-Y232 VanDerWaalsContact N-OH 3.1Å; L226-A241 HydrophobicContact CD2-CB 4.1Å; L226-Y245 HydrophobicContact CD1-CD1 3.96Å; L226-Y245 HydrophobicContact CD1-CE1 4.49Å; L226-Y245 HydrophobicContact CD1-CG 4.48Å; L226-Y245 HydrophobicContact CD2-CG 4.34Å; L226-Y245 HydrophobicContact CG-CD1 4.01Å; L226-Y245 HydrophobicContact CG-CE1 4.4Å; L226-Y245 HydrophobicContact CG-CG 4.18Å; L226-M277 HydrophobicContact CD1-CE 3.9Å; L226-F394 HydrophobicContact CD2-CE2 3.78Å; L226-F394 HydrophobicContact CD2-CZ 4.43Å; L226-L398 HydrophobicContact CD2-CD2 4.12Å
227	P	98.4	Very high	98.5	Very high	40 Å²	40	41.9 Å²	41.9	26%	0.26	22%	0.224	S	C	.	.	S	Bend	trans	-61.4	-36	-167.6	-24.7	33.2	0	0	0	115.5	Y231 L398 N705 T709	P227-Y231 HydrophobicContact CB-CD2 4.23Å; P227-Y231 HydrophobicContact CB-CE2 3.83Å; P227-Y231 HydrophobicContact CG-CD2 4.26Å; P227-Y231 HydrophobicContact CG-CE1 4.32Å; P227-Y231 HydrophobicContact CG-CE2 3.81Å; P227-L398 HydrophobicContact CG-CD1 4.03Å; P227-L398 HydrophobicContact CG-CD2 3.69Å; P227-L398 HydrophobicContact CG-CG 4.37Å; P227-N705 VanDerWaalsContact CB-OD1 3.23Å; P227-N705 WeakPolarHBondContact CB-OD1 3.29Å; P227-N705 WeakPolarHBondContact CG-ND2 3.47Å; P227-T709 HydrophobicContact CB-CG2 3.73Å; P227-T709 WeakPolarHBondContact O-CG2 3.29Å
228	S	98.6	Very high	98.4	Very high	13 Å²	13	42.4 Å²	42.4	9%	0.091	23%	0.226	C	C	.	.	S	Bend	trans	-143.4	168.9	177.9	81.2	0	0	0	0	111.2	L226 D230 Y231	L226-S228 PolarHBondContact O-N 2.99Å; S228-D230 WeakPolarHBondContact CB-OD2 3.29Å; S228-D230 PolarHBondContact O-N 3.09Å; S228-D230 PolarHBondContact OG-N 3.31Å; S228-D230 PolarHBondContact OG-OD2 3.14Å; S228-Y231 PolarHBondContact O-N 3.37Å
229	R	98.6	Very high	98.4	Very high	50 Å²	50	48.6 Å²	48.6	19%	0.189	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-59.6	-28.9	174.5	64.3	-177.1	-57.9	-62.4	-2.9	113.1	L224 Y231 Y232 A284 T287	L224-R229 HydrophobicContact CD1-CB 4.12Å; R229-Y231 VanDerWaalsContact C-N 3.29Å; R229-Y231 PolarHBondContact O-N 3.48Å; R229-Y232 WeakPolarHBondContact O-CB 3.26Å; R229-Y232 PolarHBondContact O-N 2.98Å; R229-A284 HydrophobicContact CB-CB 4.44Å; R229-T287 PolarHBondContact NE-O 3.36Å
230	D	98.3	Very high	98.4	Very high	38 Å²	38	54.6 Å²	54.6	20%	0.203	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-65.2	-32.6	-177.4	-45.8	-84.7	0	0	0	112.2	S228 Y232 E233 Y238 K708	S228-D230 WeakPolarHBondContact CB-OD2 3.29Å; S228-D230 PolarHBondContact O-N 3.09Å; S228-D230 PolarHBondContact OG-N 3.31Å; S228-D230 PolarHBondContact OG-OD2 3.14Å; D230-Y232 PolarHBondContact O-N 3.48Å; D230-Y232 VanDerWaalsContact O-N 3.1Å; D230-E233 WeakPolarHBondContact O-CB 3.44Å; D230-E233 WeakPolarHBondContact O-CG 3.4Å; D230-E233 PolarHBondContact O-N 3.35Å; D230-E233 VanDerWaalsContact O-N 3.14Å; D230-Y238 HydrophobicContact CB-CE2 4.19Å; D230-Y238 WeakPolarHBondContact O-CD2 3.44Å; D230-K708 HydrophobicContact CB-CD 4.41Å
231	Y	98.8	Very high	98.4	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.012	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-58.2	-28.2	177.5	-83.2	-100.6	0	0	0	112.6	L226 P227 S228 R229 E233 C234 Y238 A241 C242 L398 N705	L226-Y231 HydrophobicContact CB-CG 4.24Å; L226-Y231 HydrophobicContact CD2-CD1 4.17Å; P227-Y231 HydrophobicContact CB-CD2 4.23Å; P227-Y231 HydrophobicContact CB-CE2 3.83Å; P227-Y231 HydrophobicContact CG-CD2 4.26Å; P227-Y231 HydrophobicContact CG-CE1 4.32Å; P227-Y231 HydrophobicContact CG-CE2 3.81Å; S228-Y231 PolarHBondContact O-N 3.37Å; R229-Y231 VanDerWaalsContact C-N 3.29Å; R229-Y231 PolarHBondContact O-N 3.48Å; Y231-E233 PolarHBondContact O-N 2.86Å; Y231-E233 VanDerWaalsContact O-N 3.17Å; Y231-C234 PolarHBondContact O-N 3.34Å; Y231-Y238 AromaticContact CD1-CD1 3.65Å; Y231-Y238 HydrophobicContact CD1-CD1 3.65Å; Y231-Y238 HydrophobicContact CD1-CE1 4.43Å; Y231-Y238 HydrophobicContact CD1-CG 4.35Å; Y231-Y238 HydrophobicContact CD2-CD1 4.06Å; Y231-Y238 HydrophobicContact CD2-CE1 4.08Å; Y231-Y238 AromaticContact CE1-CD1 3.82Å; Y231-Y238 HydrophobicContact CE1-CD1 3.82Å; Y231-Y238 HydrophobicContact CE1-CE1 4.42Å; Y231-Y238 HydrophobicContact CE2-CD1 4.22Å; Y231-Y238 HydrophobicContact CE2-CE1 4.07Å; Y231-Y238 AromaticContact CG-CD1 3.77Å; Y231-Y238 HydrophobicContact CG-CD1 3.77Å; Y231-Y238 HydrophobicContact CG-CE1 4.26Å; Y231-Y238 HydrophobicContact CG-CG 4.42Å; Y231-A241 HydrophobicContact CD1-CB 3.67Å; Y231-A241 HydrophobicContact CE1-CB 3.71Å; Y231-C242 PolarHBondContact O-SG 2.9Å; Y231-L398 HydrophobicContact CD1-CD2 4.27Å; Y231-L398 HydrophobicContact CE1-CD2 3.66Å; Y231-N705 WeakPolarHBondContact OH-CA 3.2Å; Y231-N705 VanDerWaalsContact OH-CB 3.27Å; Y231-N705 WeakPolarHBondContact OH-CB 3.41Å; Y231-N705 PolarHBondContact OH-N 3.49Å
232	Y	98.8	Very high	98.4	Very high	15 Å²	15	52.9 Å²	52.9	6%	0.059	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-73.4	-3.4	-176.8	-70.1	-90.3	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 4.12Å; L224-Y232 HydrophobicContact CD1-CE2 3.67Å; L224-Y232 HydrophobicContact CG-CE2 4.22Å; G225-Y232 PolarHBondContact N-OH 3.42Å; L226-Y232 HydrophobicContact CB-CD2 4.47Å; L226-Y232 HydrophobicContact CB-CE2 3.7Å; L226-Y232 HydrophobicContact CD1-CD1 4.38Å; L226-Y232 HydrophobicContact CD1-CE1 4.03Å; L226-Y232 HydrophobicContact CD1-CE2 4.17Å; L226-Y232 HydrophobicContact CG-CE2 4.46Å; L226-Y232 PolarHBondContact N-OH 3.24Å; L226-Y232 VanDerWaalsContact N-OH 3.1Å; R229-Y232 WeakPolarHBondContact O-CB 3.26Å; R229-Y232 PolarHBondContact O-N 2.98Å; D230-Y232 PolarHBondContact O-N 3.48Å; D230-Y232 VanDerWaalsContact O-N 3.1Å; Y232-C234 PolarHBondContact O-N 3.45Å; Y232-M277 HydrophobicContact CD1-CE 3.64Å; Y232-M277 HydrophobicContact CD1-SD 4.1Å; Y232-M277 HydrophobicContact CE1-CE 3.93Å; Y232-M277 HydrophobicContact CE1-SD 3.9Å; Y232-E280 HydrophobicContact CE1-CB 3.87Å; Y232-E280 HydrophobicContact CE1-CG 3.71Å; Y232-E280 WeakPolarHBondContact OH-CG 3.42Å; Y232-E280 PolarHBondContact OH-OE1 3.11Å; Y232-E280 PolarHBondContact OH-OE2 3.18Å; Y232-K281 HydrophobicContact CD1-CB 4.34Å; Y232-K281 HydrophobicContact CD1-CG 3.72Å; Y232-K281 HydrophobicContact CG-CG 4.38Å; Y232-K281 WeakPolarHBondContact O-CE 3.45Å; Y232-A284 HydrophobicContact CD1-CB 4.1Å; Y232-A284 HydrophobicContact CD2-CB 3.45Å; Y232-A284 VanDerWaalsContact CD2-CB 3.45Å; Y232-A284 HydrophobicContact CE2-CB 3.96Å; Y232-A284 HydrophobicContact CG-CB 3.53Å
233	E	98.3	Very high	98.4	Very high	123 Å²	123	55.2 Å²	55.2	58%	0.575	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-62.4	-31.5	162.1	-68.5	179.4	-170.8	0	0	111.8	D230 Y231 T235 Y238	D230-E233 WeakPolarHBondContact O-CB 3.44Å; D230-E233 WeakPolarHBondContact O-CG 3.4Å; D230-E233 PolarHBondContact O-N 3.35Å; D230-E233 VanDerWaalsContact O-N 3.14Å; Y231-E233 PolarHBondContact O-N 2.86Å; Y231-E233 VanDerWaalsContact O-N 3.17Å; E233-T235 WeakPolarHBondContact O-CG2 3.44Å; E233-T235 PolarHBondContact O-N 2.96Å; E233-Y238 HydrophobicContact CB-CD2 4.35Å
234	C	98.4	Very high	98.4	Very high	22 Å²	22	44.9 Å²	44.9	15%	0.149	25%	0.25	C	C	.	.			trans	51.3	30.2	175.8	-60.2	0	0	0	0	115.8	Y231 Y232 C242 M277 K281	Y231-C234 PolarHBondContact O-N 3.34Å; Y232-C234 PolarHBondContact O-N 3.45Å; C234-C242 WeakPolarHBondContact CA-SG 3.45Å; C234-C242 HydrophobicContact CB-CB 3.57Å; C234-C242 WeakPolarHBondContact CB-SG 3.35Å; C234-C242 WeakPolarHBondContact SG-CB 3.44Å; C234-C242 CovalentContact SG-SG 2.04Å; C234-C242 PolarHBondContact SG-SG 3.43Å; C234-M277 WeakPolarHBondContact SG-CE 3.42Å; C234-K281 WeakPolarHBondContact SG-CE 3.37Å
235	T	97.9	Very high	98.4	Very high	90 Å²	90	43.6 Å²	43.6	55%	0.552	24%	0.243	S	C	*	.	S	Bend	trans	-128.1	168.7	176.8	57.8	0	0	0	0	109.3	E233 I237 Y238 K239	E233-T235 WeakPolarHBondContact O-CG2 3.44Å; E233-T235 PolarHBondContact O-N 2.96Å; T235-I237 PolarHBondContact O-N 3.06Å; T235-I237 VanDerWaalsContact O-N 3.17Å; T235-Y238 PolarHBondContact O-N 3.15Å; T235-K239 PolarHBondContact O-N 3.27Å
236	G	97	Very high	98.5	Very high	71 Å²	71	43.7 Å²	43.7	73%	0.732	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	50.7	-122.6	178.5	0	0	0	0	0	112.7	Y238 K239	G236-Y238 PolarHBondContact O-N 3.08Å; G236-K239 PolarHBondContact O-N 2.88Å
237	I	97.4	Very high	98.5	Very high	92 Å²	92	47.4 Å²	47.4	47%	0.472	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-65.8	-17.7	-177.8	64.5	179.1	0	0	0	114.4	T235 Q637 V704	T235-I237 PolarHBondContact O-N 3.06Å; T235-I237 VanDerWaalsContact O-N 3.17Å; I237-Q637 VanDerWaalsContact CD1-NE2 3.25Å; I237-V704 HydrophobicContact CB-CG1 4.47Å; I237-V704 HydrophobicContact CD1-CG1 3.79Å; I237-V704 HydrophobicContact CD1-CG2 4.38Å; I237-V704 HydrophobicContact CG1-CG1 4.22Å
238	Y	98.6	Very high	98.5	Very high	12 Å²	12	45.6 Å²	45.6	5%	0.047	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-99.6	-10	-178.2	-53.3	-57.8	0	0	0	113.8	D230 Y231 E233 T235 G236 E240 A241 C242 V704 K708	D230-Y238 HydrophobicContact CB-CE2 4.19Å; D230-Y238 WeakPolarHBondContact O-CD2 3.44Å; Y231-Y238 AromaticContact CD1-CD1 3.65Å; Y231-Y238 HydrophobicContact CD1-CD1 3.65Å; Y231-Y238 HydrophobicContact CD1-CE1 4.43Å; Y231-Y238 HydrophobicContact CD1-CG 4.35Å; Y231-Y238 HydrophobicContact CD2-CD1 4.06Å; Y231-Y238 HydrophobicContact CD2-CE1 4.08Å; Y231-Y238 AromaticContact CE1-CD1 3.82Å; Y231-Y238 HydrophobicContact CE1-CD1 3.82Å; Y231-Y238 HydrophobicContact CE1-CE1 4.42Å; Y231-Y238 HydrophobicContact CE2-CD1 4.22Å; Y231-Y238 HydrophobicContact CE2-CE1 4.07Å; Y231-Y238 AromaticContact CG-CD1 3.77Å; Y231-Y238 HydrophobicContact CG-CD1 3.77Å; Y231-Y238 HydrophobicContact CG-CE1 4.26Å; Y231-Y238 HydrophobicContact CG-CG 4.42Å; E233-Y238 HydrophobicContact CB-CD2 4.35Å; T235-Y238 PolarHBondContact O-N 3.15Å; G236-Y238 PolarHBondContact O-N 3.08Å; Y238-E240 PolarHBondContact O-N 3.15Å; Y238-A241 PolarHBondContact O-N 3.32Å; Y238-C242 PolarHBondContact O-N 2.85Å; Y238-C242 VanDerWaalsContact O-N 3.1Å; Y238-V704 HydrophobicContact CD1-CG1 4.29Å; Y238-V704 HydrophobicContact CE1-CG1 3.78Å; Y238-K708 WeakPolarHBondContact OH-CE 3.43Å
239	K	98.6	Very high	98.5	Very high	132 Å²	132	45 Å²	45	57%	0.574	25%	0.245	S	C	*	.	H	α-helix	trans	-55.6	-48.9	-173.8	-176.4	-179	176.4	-175.3	0	112	T235 G236 A241 C242 T243	T235-K239 PolarHBondContact O-N 3.27Å; G236-K239 PolarHBondContact O-N 2.88Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 3.21Å; K239-C242 PolarHBondContact O-N 3.32Å; K239-T243 PolarHBondContact O-N 3.46Å; K239-T243 PolarHBondContact O-OG1 3.33Å
240	E	98.5	Very high	98.5	Very high	126 Å²	126	43.2 Å²	43.2	59%	0.589	24%	0.239	S	C	*	.	H	α-helix	trans	-62.3	-40.8	-178	-170.8	62.3	-160.4	0	0	111.9	Y238 T243 A244 A397	Y238-E240 PolarHBondContact O-N 3.15Å; E240-T243 PolarHBondContact O-N 3.26Å; E240-A244 VanDerWaalsContact O-CB 3.24Å; E240-A244 WeakPolarHBondContact O-CB 3.46Å; E240-A244 PolarHBondContact O-N 3.44Å; E240-A397 HydrophobicContact CG-CB 4.09Å
241	A	98.7	Very high	98.6	Very high	3 Å²	3	43 Å²	43	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-41.1	177.8	0	0	0	0	0	112.1	L226 Y231 Y238 K239 Y245 A397 L398	L226-A241 HydrophobicContact CD2-CB 4.1Å; Y231-A241 HydrophobicContact CD1-CB 3.67Å; Y231-A241 HydrophobicContact CE1-CB 3.71Å; Y238-A241 PolarHBondContact O-N 3.32Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 3.21Å; A241-Y245 WeakPolarHBondContact O-CB 3.43Å; A241-Y245 PolarHBondContact O-N 2.91Å; A241-A397 HydrophobicContact CB-CB 4.3Å; A241-L398 HydrophobicContact CB-CD2 3.79Å
242	C	98.8	Very high	98.6	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-66.3	-44	175.6	-70.3	0	0	0	0	112.7	Y231 C234 Y238 K239 Y245 V246 M277	Y231-C242 PolarHBondContact O-SG 2.9Å; C234-C242 WeakPolarHBondContact CA-SG 3.45Å; C234-C242 HydrophobicContact CB-CB 3.57Å; C234-C242 WeakPolarHBondContact CB-SG 3.35Å; C234-C242 WeakPolarHBondContact SG-CB 3.44Å; C234-C242 CovalentContact SG-SG 2.04Å; C234-C242 PolarHBondContact SG-SG 3.43Å; Y238-C242 PolarHBondContact O-N 2.85Å; Y238-C242 VanDerWaalsContact O-N 3.1Å; K239-C242 PolarHBondContact O-N 3.32Å; C242-Y245 PolarHBondContact O-N 3.4Å; C242-V246 PolarHBondContact O-N 2.87Å; C242-V246 VanDerWaalsContact O-N 3.16Å; C242-M277 HydrophobicContact CB-CE 4.06Å; C242-M277 VanDerWaalsContact SG-CE 3.57Å
243	T	98.8	Very high	98.6	Very high	61 Å²	61	42.2 Å²	42.2	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-60.2	-51.6	176.2	-65.5	0	0	0	0	110.4	K239 E240 Y245 V246 D247	K239-T243 PolarHBondContact O-N 3.46Å; K239-T243 PolarHBondContact O-OG1 3.33Å; E240-T243 PolarHBondContact O-N 3.26Å; T243-Y245 PolarHBondContact O-N 3.45Å; T243-V246 PolarHBondContact O-N 3.49Å; T243-D247 WeakPolarHBondContact CG2-OD2 3.32Å; T243-D247 WeakPolarHBondContact O-CB 3.24Å; T243-D247 VanDerWaalsContact O-CG 3.31Å; T243-D247 PolarHBondContact O-N 3.46Å
244	A	98.9	Very high	98.6	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.025	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-29.2	179.2	0	0	0	0	0	113.2	E240 F248 A393 F394 A397	E240-A244 VanDerWaalsContact O-CB 3.24Å; E240-A244 WeakPolarHBondContact O-CB 3.46Å; E240-A244 PolarHBondContact O-N 3.44Å; A244-F248 WeakPolarHBondContact O-CB 3.36Å; A244-F248 PolarHBondContact O-N 3.17Å; A244-A393 HydrophobicContact CB-CB 4.29Å; A244-F394 HydrophobicContact CB-CB 4.39Å; A244-A397 HydrophobicContact CB-CB 4.12Å
245	Y	98.9	Very high	98.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.8	-46.2	176.7	-176.2	-130.7	0	0	0	112.4	G225 L226 A241 C242 T243 F248 M249 M277 E280 W373 M377 F394	G225-Y245 WeakPolarHBondContact CA-OH 3.4Å; L226-Y245 HydrophobicContact CD1-CD1 3.96Å; L226-Y245 HydrophobicContact CD1-CE1 4.49Å; L226-Y245 HydrophobicContact CD1-CG 4.48Å; L226-Y245 HydrophobicContact CD2-CG 4.34Å; L226-Y245 HydrophobicContact CG-CD1 4.01Å; L226-Y245 HydrophobicContact CG-CE1 4.4Å; L226-Y245 HydrophobicContact CG-CG 4.18Å; A241-Y245 WeakPolarHBondContact O-CB 3.43Å; A241-Y245 PolarHBondContact O-N 2.91Å; C242-Y245 PolarHBondContact O-N 3.4Å; T243-Y245 PolarHBondContact O-N 3.45Å; Y245-F248 PolarHBondContact O-N 3.44Å; Y245-M249 HydrophobicContact CD1-CE 3.53Å; Y245-M249 HydrophobicContact CD2-CE 4.24Å; Y245-M249 HydrophobicContact CE1-CE 3.09Å; Y245-M249 HydrophobicContact CE2-CE 3.87Å; Y245-M249 HydrophobicContact CG-CE 4.08Å; Y245-M249 WeakPolarHBondContact O-CG 3.23Å; Y245-M249 PolarHBondContact O-N 3.12Å; Y245-M277 HydrophobicContact CD1-SD 3.91Å; Y245-M277 HydrophobicContact CE1-SD 4.12Å; Y245-E280 WeakPolarHBondContact CE1-OE2 3.44Å; Y245-E280 PolarHBondContact OH-OE2 3.01Å; Y245-W373 HydrophobicContact CD2-CZ2 4.19Å; Y245-W373 AromaticContact CE2-CE2 3.84Å; Y245-W373 AromaticContact CE2-CZ2 3.82Å; Y245-W373 HydrophobicContact CE2-CZ2 3.82Å; Y245-W373 AromaticContact CE2-NE1 3.25Å; Y245-W373 VanDerWaalsContact CE2-NE1 3.25Å; Y245-W373 AromaticContact CZ-NE1 3.29Å; Y245-W373 VanDerWaalsContact CZ-NE1 3.29Å; Y245-W373 PolarHBondContact OH-NE1 3.26Å; Y245-M377 HydrophobicContact CE2-CE 3.91Å; Y245-M377 HydrophobicContact CE2-SD 3.95Å; Y245-F394 HydrophobicContact CD2-CD2 4.07Å; Y245-F394 HydrophobicContact CD2-CE1 4.49Å; Y245-F394 AromaticContact CD2-CE2 3.44Å; Y245-F394 HydrophobicContact CD2-CE2 3.44Å; Y245-F394 VanDerWaalsContact CD2-CE2 3.44Å; Y245-F394 AromaticContact CD2-CZ 3.67Å; Y245-F394 HydrophobicContact CD2-CZ 3.67Å; Y245-F394 HydrophobicContact CE2-CE2 4.41Å; Y245-F394 HydrophobicContact CE2-CZ 4.23Å; Y245-F394 HydrophobicContact CG-CD2 4.43Å; Y245-F394 AromaticContact CG-CE2 3.87Å; Y245-F394 HydrophobicContact CG-CE2 3.87Å; Y245-F394 HydrophobicContact CG-CZ 4.48Å
246	V	98.9	Very high	98.7	Very high	11 Å²	11	35.9 Å²	35.9	7%	0.067	20%	0.198	C	C	.	.	H	α-helix	trans	-68	-41.8	175.8	176.7	0	0	0	0	110.8	C242 T243 F248 M249 I250 M273 M277	C242-V246 PolarHBondContact O-N 2.87Å; C242-V246 VanDerWaalsContact O-N 3.16Å; T243-V246 PolarHBondContact O-N 3.49Å; V246-F248 PolarHBondContact O-N 3.49Å; V246-M249 WeakPolarHBondContact O-CB 3.37Å; V246-M249 PolarHBondContact O-N 3.07Å; V246-M249 VanDerWaalsContact O-N 3.13Å; V246-I250 HydrophobicContact CG1-CD1 3.94Å; V246-I250 HydrophobicContact CG1-CG1 4.46Å; V246-I250 WeakPolarHBondContact O-CG1 3.15Å; V246-I250 PolarHBondContact O-N 2.88Å; V246-M273 HydrophobicContact CG1-CB 4.23Å; V246-M277 HydrophobicContact CG2-CB 3.79Å; V246-M277 HydrophobicContact CG2-CG 3.96Å
247	D	98.9	Very high	98.7	Very high	81 Å²	81	33.9 Å²	33.9	43%	0.433	17%	0.168	S	C	.	.	H	α-helix	trans	-62.3	-35.1	176.3	-71.2	-17.6	0	0	0	111.9	T243 I250 S251	T243-D247 WeakPolarHBondContact CG2-OD2 3.32Å; T243-D247 WeakPolarHBondContact O-CB 3.24Å; T243-D247 VanDerWaalsContact O-CG 3.31Å; T243-D247 PolarHBondContact O-N 3.46Å; D247-I250 PolarHBondContact O-N 2.99Å; D247-S251 VanDerWaalsContact O-CB 3.26Å; D247-S251 WeakPolarHBondContact O-CB 3.38Å; D247-S251 PolarHBondContact O-N 2.9Å; D247-S251 PolarHBondContact O-OG 2.83Å
248	F	98.9	Very high	98.8	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.013	17%	0.168	C	C	.	.	H	α-helix	trans	-66.2	-43.8	173.8	176.3	-147.1	0	0	0	111.4	A244 Y245 V246 I250 S251 V252 W373 M377 V380 S390 R391 F394	A244-F248 WeakPolarHBondContact O-CB 3.36Å; A244-F248 PolarHBondContact O-N 3.17Å; Y245-F248 PolarHBondContact O-N 3.44Å; V246-F248 PolarHBondContact O-N 3.49Å; F248-I250 PolarHBondContact O-N 2.95Å; F248-S251 PolarHBondContact O-N 3.19Å; F248-V252 HydrophobicContact CD2-CG2 3.73Å; F248-V252 HydrophobicContact CE2-CG2 3.41Å; F248-V252 VanDerWaalsContact CE2-CG2 3.41Å; F248-V252 HydrophobicContact CZ-CG2 4.35Å; F248-V252 WeakPolarHBondContact O-CG2 3.4Å; F248-V252 PolarHBondContact O-N 2.94Å; F248-V252 VanDerWaalsContact O-N 3.08Å; F248-W373 HydrophobicContact CB-CH2 4.3Å; F248-W373 AromaticContact CD1-CH2 3.37Å; F248-W373 HydrophobicContact CD1-CH2 3.37Å; F248-W373 AromaticContact CD1-CZ2 3.59Å; F248-W373 HydrophobicContact CD1-CZ2 3.59Å; 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 HydrophobicContact CE1-CZ3 4.5Å; F248-W373 AromaticContact CE2-CH2 3.96Å; F248-W373 HydrophobicContact CE2-CH2 3.96Å; F248-W373 AromaticContact CG-CH2 3.59Å; F248-W373 HydrophobicContact CG-CH2 3.59Å; F248-W373 HydrophobicContact CG-CZ2 4.14Å; F248-W373 AromaticContact CZ-CH2 3.72Å; F248-W373 HydrophobicContact CZ-CH2 3.72Å; F248-W373 HydrophobicContact CZ-CZ2 4.5Å; F248-W373 HydrophobicContact CZ-CZ3 4.43Å; F248-M377 HydrophobicContact CE1-CB 3.83Å; F248-M377 HydrophobicContact CZ-CB 4.1Å; F248-V380 HydrophobicContact CE2-CG1 4.48Å; F248-V380 HydrophobicContact CE2-CG2 3.93Å; F248-V380 HydrophobicContact CZ-CG2 3.61Å; F248-S390 WeakPolarHBondContact CD2-O 3.4Å; F248-S390 WeakPolarHBondContact CE2-OG 3.5Å; F248-R391 HydrophobicContact CE1-CG 3.94Å; F248-R391 HydrophobicContact CE2-CB 3.97Å; F248-R391 HydrophobicContact CE2-CG 4.27Å; F248-R391 HydrophobicContact CZ-CB 4Å; F248-R391 HydrophobicContact CZ-CG 3.82Å; F248-F394 HydrophobicContact CB-CB 4.11Å; F248-F394 HydrophobicContact CD1-CB 3.98Å; F248-F394 AromaticContact CD1-CD1 3.64Å; F248-F394 HydrophobicContact CD1-CD1 3.64Å; F248-F394 HydrophobicContact CD1-CE1 4.26Å; F248-F394 AromaticContact CD1-CG 3.83Å; F248-F394 HydrophobicContact CD1-CG 3.83Å; F248-F394 AromaticContact CE1-CD1 3.9Å; F248-F394 HydrophobicContact CE1-CD1 3.9Å; F248-F394 HydrophobicContact CE1-CE1 4.35Å; F248-F394 HydrophobicContact CG-CB 4.23Å
249	M	98.9	Very high	98.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-55.3	-51.5	172.2	-65.8	171.7	-168.1	0	0	111.8	Y245 V246 S251 V252 A253 M273 V276 W373	Y245-M249 HydrophobicContact CD1-CE 3.53Å; Y245-M249 HydrophobicContact CD2-CE 4.24Å; Y245-M249 HydrophobicContact CE1-CE 3.09Å; Y245-M249 HydrophobicContact CE2-CE 3.87Å; Y245-M249 HydrophobicContact CG-CE 4.08Å; Y245-M249 WeakPolarHBondContact O-CG 3.23Å; Y245-M249 PolarHBondContact O-N 3.12Å; V246-M249 WeakPolarHBondContact O-CB 3.37Å; V246-M249 PolarHBondContact O-N 3.07Å; V246-M249 VanDerWaalsContact O-N 3.13Å; M249-S251 VanDerWaalsContact C-N 3.32Å; M249-S251 PolarHBondContact O-N 3.15Å; M249-V252 PolarHBondContact O-N 3.02Å; M249-A253 WeakPolarHBondContact O-CB 3.27Å; M249-A253 PolarHBondContact O-N 2.8Å; M249-M273 HydrophobicContact CB-CB 3.95Å; M249-M273 HydrophobicContact CB-CG 3.74Å; M249-M273 HydrophobicContact CB-SD 3.61Å; M249-M273 HydrophobicContact CG-SD 4.3Å; M249-M273 HydrophobicContact SD-CB 4.07Å; M249-M273 HydrophobicContact SD-SD 4.26Å; M249-V276 HydrophobicContact CE-CG1 3.82Å; M249-V276 HydrophobicContact SD-CB 4.19Å; M249-V276 HydrophobicContact SD-CG1 3.86Å; M249-W373 HydrophobicContact CB-CD2 4.37Å; M249-W373 HydrophobicContact CB-CE3 4.43Å; M249-W373 HydrophobicContact CB-CH2 4.31Å; M249-W373 HydrophobicContact CB-CZ2 4.27Å; M249-W373 HydrophobicContact CB-CZ3 4.42Å; M249-W373 HydrophobicContact CE-CG 4.49Å; M249-W373 VanDerWaalsContact CE-NE1 3.3Å; M249-W373 HydrophobicContact CG-CD2 3.59Å; M249-W373 HydrophobicContact CG-CE3 4.11Å; M249-W373 HydrophobicContact CG-CG 4.04Å; M249-W373 HydrophobicContact CG-CH2 3.96Å; M249-W373 HydrophobicContact CG-CZ2 3.44Å; M249-W373 VanDerWaalsContact CG-CZ2 3.44Å; M249-W373 HydrophobicContact CG-CZ3 4.28Å
250	I	98.9	Very high	98.7	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-43.4	-179.4	-67	168.1	0	0	0	110.5	V246 D247 F248 V252 A253 R254 L269 M273	V246-I250 HydrophobicContact CG1-CD1 3.94Å; V246-I250 HydrophobicContact CG1-CG1 4.46Å; V246-I250 WeakPolarHBondContact O-CG1 3.15Å; V246-I250 PolarHBondContact O-N 2.88Å; D247-I250 PolarHBondContact O-N 2.99Å; F248-I250 PolarHBondContact O-N 2.95Å; I250-V252 PolarHBondContact O-N 2.81Å; I250-A253 PolarHBondContact O-N 3.33Å; I250-R254 WeakPolarHBondContact O-CB 3.41Å; I250-R254 PolarHBondContact O-N 3.23Å; I250-L269 HydrophobicContact CG2-CB 4.2Å; I250-L269 HydrophobicContact CG2-CD1 4.32Å; I250-M273 HydrophobicContact CG1-CB 3.85Å; I250-M273 HydrophobicContact CG1-CG 3.87Å
251	S	98.9	Very high	98.7	Very high	34 Å²	34	39.5 Å²	39.5	24%	0.238	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-44.2	-178.3	-63	0	0	0	0	112	D247 F248 M249 R254 L255	D247-S251 VanDerWaalsContact O-CB 3.26Å; D247-S251 WeakPolarHBondContact O-CB 3.38Å; D247-S251 PolarHBondContact O-N 2.9Å; D247-S251 PolarHBondContact O-OG 2.83Å; F248-S251 PolarHBondContact O-N 3.19Å; M249-S251 VanDerWaalsContact C-N 3.32Å; M249-S251 PolarHBondContact O-N 3.15Å; S251-R254 PolarHBondContact O-N 3.05Å; S251-L255 WeakPolarHBondContact O-CG 3.49Å; S251-L255 PolarHBondContact O-N 2.61Å
252	V	98.9	Very high	98.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.4	-40.5	178.2	-178.7	0	0	0	0	111.3	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 4.33Å; W167-V252 HydrophobicContact CZ3-CG1 4.01Å; F248-V252 HydrophobicContact CD2-CG2 3.73Å; F248-V252 HydrophobicContact CE2-CG2 3.41Å; F248-V252 VanDerWaalsContact CE2-CG2 3.41Å; F248-V252 HydrophobicContact CZ-CG2 4.35Å; F248-V252 WeakPolarHBondContact O-CG2 3.4Å; F248-V252 PolarHBondContact O-N 2.94Å; F248-V252 VanDerWaalsContact O-N 3.08Å; M249-V252 PolarHBondContact O-N 3.02Å; I250-V252 PolarHBondContact O-N 2.81Å; V252-R254 VanDerWaalsContact C-N 3.29Å; V252-R254 PolarHBondContact O-N 2.96Å; V252-L255 PolarHBondContact O-N 2.78Å; V252-I256 HydrophobicContact CG1-CD1 4.05Å; V252-I256 WeakPolarHBondContact O-CG1 3.42Å; V252-I256 PolarHBondContact O-N 3.38Å; V252-W373 HydrophobicContact CB-CZ3 4.13Å; V252-W373 HydrophobicContact CG2-CZ3 4.08Å; V252-I376 HydrophobicContact CG1-CG2 3.6Å; V252-V380 HydrophobicContact CG1-CG1 3.96Å; V252-V380 HydrophobicContact CG2-CG1 3.84Å; V252-Y387 HydrophobicContact CG1-CD1 4.46Å; V252-Y387 HydrophobicContact CG1-CE1 4.44Å; V252-S390 WeakPolarHBondContact CG2-OG 3.41Å
253	A	98.9	Very high	98.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-43.6	174.5	0	0	0	0	0	111.1	W167 V169 M249 I250 I256 R257 L269	W167-A253 HydrophobicContact CH2-CB 3.73Å; W167-A253 HydrophobicContact CZ2-CB 4.48Å; W167-A253 VanDerWaalsContact CZ3-CA 3.49Å; W167-A253 HydrophobicContact CZ3-CB 3.79Å; V169-A253 HydrophobicContact CG1-CB 3.89Å; V169-A253 HydrophobicContact CG2-CB 4.21Å; M249-A253 WeakPolarHBondContact O-CB 3.27Å; M249-A253 PolarHBondContact O-N 2.8Å; I250-A253 PolarHBondContact O-N 3.33Å; A253-I256 PolarHBondContact O-N 2.98Å; A253-R257 VanDerWaalsContact O-CG 3.29Å; A253-R257 WeakPolarHBondContact O-CG 3.38Å; A253-R257 PolarHBondContact O-N 3.48Å; A253-L269 HydrophobicContact CB-CD2 3.96Å
254	R	98.8	Very high	98.6	Very high	68 Å²	68	44.7 Å²	44.7	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-60	-47.6	175.6	-170.3	-173	-61.8	122.4	1.8	111.8	I250 S251 V252 I256 R257 Q258 I264 E266 L269	I250-R254 WeakPolarHBondContact O-CB 3.41Å; I250-R254 PolarHBondContact O-N 3.23Å; S251-R254 PolarHBondContact O-N 3.05Å; V252-R254 VanDerWaalsContact C-N 3.29Å; V252-R254 PolarHBondContact O-N 2.96Å; R254-I256 PolarHBondContact O-N 3.36Å; R254-R257 PolarHBondContact O-N 3.41Å; R254-Q258 WeakPolarHBondContact O-CB 3.44Å; R254-Q258 VanDerWaalsContact O-CG 3.25Å; R254-Q258 WeakPolarHBondContact O-CG 3.44Å; R254-Q258 PolarHBondContact O-N 2.86Å; R254-I264 HydrophobicContact CG-CD1 4.1Å; R254-I264 HydrophobicContact CG-CG2 4.2Å; R254-E266 IonicContact CZ-OE1 3.35Å; R254-E266 IonicContact CZ-OE2 3.76Å; R254-E266 IonicContact NE-OE1 3.69Å; R254-E266 PolarHBondContact NE-OE1 3.45Å; R254-E266 IonicContact NE-OE2 2.79Å; R254-E266 PolarHBondContact NE-OE2 2.72Å; R254-E266 IonicContact NH2-OE1 3.85Å; R254-E266 PolarHBondContact NH2-OE1 3.32Å; R254-E266 IonicContact NH2-OE2 3.96Å; R254-E266 PolarHBondContact NH2-OE2 2.97Å; R254-L269 HydrophobicContact CB-CD1 4.11Å
255	L	98.8	Very high	98.6	Very high	33 Å²	33	48.8 Å²	48.8	17%	0.173	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-45.7	178.8	-73.8	171.5	0	0	0	112.1	S251 V252 Q258 E259 N386 Y387	S251-L255 WeakPolarHBondContact O-CG 3.49Å; S251-L255 PolarHBondContact O-N 2.61Å; V252-L255 PolarHBondContact O-N 2.78Å; L255-Q258 WeakPolarHBondContact O-CB 3.43Å; L255-Q258 PolarHBondContact O-N 3.27Å; L255-E259 WeakPolarHBondContact O-CB 3.22Å; L255-E259 PolarHBondContact O-N 3.01Å; L255-N386 WeakPolarHBondContact CD1-O 3.47Å; L255-N386 HydrophobicContact CD2-CB 4.43Å; L255-Y387 HydrophobicContact CB-CD1 4.39Å; L255-Y387 HydrophobicContact CB-CE1 3.83Å; L255-Y387 HydrophobicContact CD1-CD1 4.02Å; L255-Y387 HydrophobicContact CD1-CE1 4.3Å; L255-Y387 HydrophobicContact CD1-CG 4.23Å
256	I	98.8	Very high	98.5	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-46.9	178	-68.8	171.6	0	0	0	110.6	L157 L158 L161 W167 A170 V252 A253 R254 Q258 E259 E260 Y387	L157-I256 HydrophobicContact CD2-CD1 3.93Å; L158-I256 HydrophobicContact CD2-CB 4.37Å; L158-I256 HydrophobicContact CD2-CG1 4.32Å; L158-I256 HydrophobicContact CD2-CG2 3.62Å; L161-I256 HydrophobicContact CD1-CD1 4.41Å; L161-I256 HydrophobicContact CD1-CG2 4.24Å; W167-I256 HydrophobicContact CE3-CD1 3.73Å; W167-I256 HydrophobicContact CZ3-CD1 3.81Å; A170-I256 HydrophobicContact CB-CB 4.08Å; A170-I256 HydrophobicContact CB-CG2 3.57Å; V252-I256 HydrophobicContact CG1-CD1 4.05Å; V252-I256 WeakPolarHBondContact O-CG1 3.42Å; V252-I256 PolarHBondContact O-N 3.38Å; A253-I256 PolarHBondContact O-N 2.98Å; R254-I256 PolarHBondContact O-N 3.36Å; I256-Q258 VanDerWaalsContact C-N 3.33Å; I256-Q258 PolarHBondContact O-N 3.38Å; I256-E259 PolarHBondContact O-N 3.08Å; I256-E260 HydrophobicContact CG2-CG 4.37Å; I256-E260 WeakPolarHBondContact O-CB 3.01Å; I256-E260 WeakPolarHBondContact O-CG 3.27Å; I256-E260 PolarHBondContact O-N 2.87Å; I256-Y387 HydrophobicContact CG1-CE1 3.98Å
257	R	98.7	Very high	98.5	Very high	30 Å²	30	58.7 Å²	58.7	11%	0.113	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-38.8	178.3	-69.1	-175.3	79.6	78.4	10	112.3	V169 A170 A253 R254 R261 L262 P263 I264	V169-R257 PolarHBondContact O-NH1 3.47Å; A170-R257 HydrophobicContact CB-CG 4.24Å; A253-R257 VanDerWaalsContact O-CG 3.29Å; A253-R257 WeakPolarHBondContact O-CG 3.38Å; A253-R257 PolarHBondContact O-N 3.48Å; R254-R257 PolarHBondContact O-N 3.41Å; R257-R261 PolarHBondContact O-N 3.31Å; R257-L262 HydrophobicContact CB-CB 4.14Å; R257-L262 HydrophobicContact CG-CB 4.39Å; R257-L262 HydrophobicContact CG-CD1 4.39Å; R257-L262 PolarHBondContact O-N 3.32Å; R257-P263 VanDerWaalsContact CZ-O 3.26Å; R257-P263 PolarHBondContact NE-O 3.32Å; R257-P263 PolarHBondContact NH2-O 3.19Å; R257-I264 HydrophobicContact CB-CG1 4.15Å
258	Q	98.5	Very high	98.5	Very high	101 Å²	101	58.8 Å²	58.8	47%	0.472	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-45.6	174.2	-74.3	172.3	-10.2	0	0	111.5	R254 L255 I256 R261 I264	R254-Q258 WeakPolarHBondContact O-CB 3.44Å; R254-Q258 VanDerWaalsContact O-CG 3.25Å; R254-Q258 WeakPolarHBondContact O-CG 3.44Å; R254-Q258 PolarHBondContact O-N 2.86Å; L255-Q258 WeakPolarHBondContact O-CB 3.43Å; L255-Q258 PolarHBondContact O-N 3.27Å; I256-Q258 VanDerWaalsContact C-N 3.33Å; I256-Q258 PolarHBondContact O-N 3.38Å; Q258-R261 PolarHBondContact O-N 3.47Å; Q258-I264 HydrophobicContact CG-CD1 3.34Å
259	E	98.1	Very high	98.5	Very high	57 Å²	57	58.9 Å²	58.9	27%	0.266	28%	0.283	S	S	.	.	H	α-helix	trans	-71.1	-37.2	-176.9	-161.9	170.5	174.8	0	0	112.6	G154 Q155 L158 L255 I256 R261 Y387	G154-E259 WeakPolarHBondContact CA-OE2 3.36Å; G154-E259 PolarHBondContact N-OE1 3.04Å; G154-E259 PolarHBondContact N-OE2 3.34Å; Q155-E259 PolarHBondContact N-OE1 3.06Å; Q155-E259 PolarHBondContact NE2-OE1 2.7Å; L158-E259 HydrophobicContact CD1-CB 4.22Å; L158-E259 HydrophobicContact CD1-CG 3.84Å; L255-E259 WeakPolarHBondContact O-CB 3.22Å; L255-E259 PolarHBondContact O-N 3.01Å; I256-E259 PolarHBondContact O-N 3.08Å; E259-R261 PolarHBondContact O-N 3.22Å; E259-Y387 WeakPolarHBondContact OE2-CE2 3.42Å; E259-Y387 PolarHBondContact OE2-OH 3.45Å
260	E	97.8	Very high	98.4	Very high	92 Å²	92	61.1 Å²	61.1	43%	0.43	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-2	171.9	-71.7	-77.3	152.9	0	0	113.3	L158 I256 L262	L158-E260 HydrophobicContact CD1-CG 4.23Å; L158-E260 WeakPolarHBondContact CD1-OE1 3.42Å; L158-E260 HydrophobicContact CD2-CG 3.92Å; I256-E260 HydrophobicContact CG2-CG 4.37Å; I256-E260 WeakPolarHBondContact O-CB 3.01Å; I256-E260 WeakPolarHBondContact O-CG 3.27Å; I256-E260 PolarHBondContact O-N 2.87Å; E260-L262 VanDerWaalsContact C-N 3.27Å; E260-L262 HydrophobicContact CB-CD1 4.07Å; E260-L262 HydrophobicContact CB-CG 3.79Å; E260-L262 PolarHBondContact O-N 2.98Å
261	R	98.1	Very high	98.4	Very high	229 Å²	229	65.9 Å²	65.9	86%	0.864	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	34.7	-178.2	-52.8	178.4	-179.7	168.9	0.4	114.1	R257 Q258 E259	R257-R261 PolarHBondContact O-N 3.31Å; Q258-R261 PolarHBondContact O-N 3.47Å; E259-R261 PolarHBondContact O-N 3.22Å
262	L	98	Very high	98.4	Very high	30 Å²	30	65.1 Å²	65.1	16%	0.157	32%	0.317	C	S	.	.			trans	-86.8	150	176	-55.4	-177.3	0	0	0	110.9	A170 E172 R257 E260	A170-L262 WeakPolarHBondContact O-CD1 3.42Å; E172-L262 HydrophobicContact CG-CD1 4.23Å; E172-L262 HydrophobicContact CG-CD2 3.8Å; R257-L262 HydrophobicContact CB-CB 4.14Å; R257-L262 HydrophobicContact CG-CB 4.39Å; R257-L262 HydrophobicContact CG-CD1 4.39Å; R257-L262 PolarHBondContact O-N 3.32Å; E260-L262 VanDerWaalsContact C-N 3.27Å; E260-L262 HydrophobicContact CB-CD1 4.07Å; E260-L262 HydrophobicContact CB-CG 3.79Å; E260-L262 PolarHBondContact O-N 2.98Å
263	P	97.9	Very high	98.4	Very high	87 Å²	87	65.1 Å²	65.1	57%	0.565	32%	0.317	S	S	*	.			trans	-62.1	144.7	173.4	26.6	-33.9	0	0	0	110.8	E172 R257	E172-P263 WeakPolarHBondContact OE1-CD 3.41Å; R257-P263 VanDerWaalsContact CZ-O 3.26Å; R257-P263 PolarHBondContact NE-O 3.32Å; R257-P263 PolarHBondContact NH2-O 3.19Å
264	I	98.6	Very high	98.4	Very high	65 Å²	65	68.4 Å²	68.4	33%	0.333	33%	0.334	S	S	.	.			trans	-113.5	114	-178.4	-57.6	167	0	0	0	108.3	R254 R257 Q258 L269	R254-I264 HydrophobicContact CG-CD1 4.1Å; R254-I264 HydrophobicContact CG-CG2 4.2Å; R257-I264 HydrophobicContact CB-CG1 4.15Å; Q258-I264 HydrophobicContact CG-CD1 3.34Å; I264-L269 HydrophobicContact CG2-CD1 3.96Å
265	D	98.1	Very high	98.4	Very high	89 Å²	89	69 Å²	69	48%	0.476	34%	0.339	S	S	.	.			trans	-109.5	106	169	-178.7	-15	0	0	0	108.3	N267 Q268 L269	D265-N267 PolarHBondContact O-N 3.31Å; D265-N267 WeakPolarHBondContact OD1-CB 3.47Å; D265-N267 PolarHBondContact OD1-N 3.19Å; D265-Q268 HydrophobicContact CB-CB 3.93Å; D265-Q268 PolarHBondContact O-N 2.72Å; D265-Q268 PolarHBondContact OD1-N 3.01Å; D265-L269 WeakPolarHBondContact O-CG 3.28Å; D265-L269 PolarHBondContact O-N 3Å
266	E	97.9	Very high	98.4	Very high	85 Å²	85	67.5 Å²	67.5	40%	0.397	33%	0.331	S	S	.	.	H	α-helix	trans	-61.5	-31.9	-177.7	-66.2	-63.9	170.5	0	0	112.9	R254 S270	R254-E266 IonicContact CZ-OE1 3.35Å; R254-E266 IonicContact CZ-OE2 3.76Å; R254-E266 IonicContact NE-OE1 3.69Å; R254-E266 PolarHBondContact NE-OE1 3.45Å; R254-E266 IonicContact NE-OE2 2.79Å; R254-E266 PolarHBondContact NE-OE2 2.72Å; R254-E266 IonicContact NH2-OE1 3.85Å; R254-E266 PolarHBondContact NH2-OE1 3.32Å; R254-E266 IonicContact NH2-OE2 3.96Å; R254-E266 PolarHBondContact NH2-OE2 2.97Å; E266-S270 WeakPolarHBondContact O-CB 3.46Å; E266-S270 PolarHBondContact O-N 2.72Å
267	N	98.1	Very high	98.4	Very high	135 Å²	135	67.9 Å²	67.9	72%	0.722	33%	0.332	S	S	*	.	H	α-helix	trans	-70.4	-40.8	177.8	-69	-38.3	0	0	0	110.5	D265 S270 L271	D265-N267 PolarHBondContact O-N 3.31Å; D265-N267 WeakPolarHBondContact OD1-CB 3.47Å; D265-N267 PolarHBondContact OD1-N 3.19Å; N267-S270 PolarHBondContact O-N 3.18Å; N267-L271 VanDerWaalsContact O-CB 3.32Å; N267-L271 WeakPolarHBondContact O-CB 2.97Å; N267-L271 PolarHBondContact O-N 2.76Å
268	Q	98.1	Very high	98.4	Very high	83 Å²	83	72 Å²	72	39%	0.388	35%	0.353	S	S	.	.	H	α-helix	trans	-67.2	-42.1	176.7	-175.7	60.7	23.4	0	0	111.9	D265 S270 L271 E272	D265-Q268 HydrophobicContact CB-CB 3.93Å; D265-Q268 PolarHBondContact O-N 2.72Å; D265-Q268 PolarHBondContact OD1-N 3.01Å; Q268-S270 VanDerWaalsContact C-N 3.34Å; Q268-S270 PolarHBondContact O-N 2.88Å; Q268-L271 PolarHBondContact O-N 2.68Å; Q268-E272 PolarHBondContact NE2-OE1 3.17Å; Q268-E272 PolarHBondContact O-N 3.43Å
269	L	98.7	Very high	98.5	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-57.8	-48.1	174.2	-69.4	-174.8	0	0	0	111.1	V169 I250 A253 R254 I264 D265 E272 M273	V169-L269 HydrophobicContact CG2-CD2 3.48Å; V169-L269 VanDerWaalsContact CG2-CD2 3.48Å; I250-L269 HydrophobicContact CG2-CB 4.2Å; I250-L269 HydrophobicContact CG2-CD1 4.32Å; A253-L269 HydrophobicContact CB-CD2 3.96Å; R254-L269 HydrophobicContact CB-CD1 4.11Å; I264-L269 HydrophobicContact CG2-CD1 3.96Å; D265-L269 WeakPolarHBondContact O-CG 3.28Å; D265-L269 PolarHBondContact O-N 3Å; L269-E272 PolarHBondContact O-N 3.23Å; L269-M273 WeakPolarHBondContact O-CB 3.41Å; L269-M273 VanDerWaalsContact O-CG 3.29Å; L269-M273 WeakPolarHBondContact O-CG 3.28Å; L269-M273 PolarHBondContact O-N 2.64Å
270	S	98.6	Very high	98.5	Very high	47 Å²	47	64.7 Å²	64.7	33%	0.329	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-44.4	177.8	-174.7	0	0	0	0	111.8	E266 N267 Q268 N274	E266-S270 WeakPolarHBondContact O-CB 3.46Å; E266-S270 PolarHBondContact O-N 2.72Å; N267-S270 PolarHBondContact O-N 3.18Å; Q268-S270 VanDerWaalsContact C-N 3.34Å; Q268-S270 PolarHBondContact O-N 2.88Å; S270-N274 VanDerWaalsContact O-CB 3.3Å; S270-N274 WeakPolarHBondContact O-CB 3.32Å; S270-N274 PolarHBondContact O-N 3.49Å; S270-N274 PolarHBondContact O-ND2 3.32Å; S270-N274 PolarHBondContact OG-ND2 3.05Å
271	L	98.8	Very high	98.6	Very high	113 Å²	113	64.1 Å²	64.1	59%	0.592	32%	0.315	S	S	*	.	H	α-helix	trans	-60.2	-49.1	178.8	-176.1	68.2	0	0	0	111.8	N267 Q268 K275	N267-L271 VanDerWaalsContact O-CB 3.32Å; N267-L271 WeakPolarHBondContact O-CB 2.97Å; N267-L271 PolarHBondContact O-N 2.76Å; Q268-L271 PolarHBondContact O-N 2.68Å; L271-K275 PolarHBondContact O-N 3.32Å; L271-K275 VanDerWaalsContact O-N 3.12Å
272	E	98.8	Very high	98.6	Very high	19 Å²	19	55.6 Å²	55.6	9%	0.089	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-41.7	-178.8	-70.1	-165.3	-132.3	0	0	112.3	V169 Q268 L269 K275 V276 R365 N369	V169-E272 HydrophobicContact CB-CB 4.44Å; V169-E272 HydrophobicContact CG2-CB 4.05Å; Q268-E272 PolarHBondContact NE2-OE1 3.17Å; Q268-E272 PolarHBondContact O-N 3.43Å; L269-E272 PolarHBondContact O-N 3.23Å; E272-K275 WeakPolarHBondContact O-CB 3.3Å; E272-K275 PolarHBondContact O-N 2.87Å; E272-V276 PolarHBondContact O-N 3.27Å; E272-R365 IonicContact OE1-CZ 3.87Å; E272-R365 IonicContact OE1-NE 2.68Å; E272-R365 IonicContact OE1-NH2 3.7Å; E272-R365 PolarHBondContact OE1-NH2 3.4Å; E272-R365 IonicContact OE2-CZ 3.99Å; E272-R365 IonicContact OE2-NE 2.65Å; E272-R365 PolarHBondContact OE2-NE 3.42Å; E272-R365 IonicContact OE2-NH2 3.11Å; E272-R365 PolarHBondContact OE2-NH2 2.87Å; E272-N369 PolarHBondContact OE2-ND2 3.16Å
273	M	98.8	Very high	98.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-75.4	-30.8	-177.9	-61.7	-57.5	87.7	0	0	112.8	W167 V169 V246 M249 I250 L269 K275 V276 M277 N369	W167-M273 HydrophobicContact CH2-SD 4.5Å; W167-M273 HydrophobicContact CZ2-SD 3.77Å; V169-M273 HydrophobicContact CB-CE 3.64Å; V169-M273 HydrophobicContact CG1-CE 3.67Å; V169-M273 HydrophobicContact CG1-SD 4.15Å; V169-M273 HydrophobicContact CG2-CE 3.81Å; V246-M273 HydrophobicContact CG1-CB 4.23Å; M249-M273 HydrophobicContact CB-CB 3.95Å; M249-M273 HydrophobicContact CB-CG 3.74Å; M249-M273 HydrophobicContact CB-SD 3.61Å; M249-M273 HydrophobicContact CG-SD 4.3Å; M249-M273 HydrophobicContact SD-CB 4.07Å; M249-M273 HydrophobicContact SD-SD 4.26Å; I250-M273 HydrophobicContact CG1-CB 3.85Å; I250-M273 HydrophobicContact CG1-CG 3.87Å; L269-M273 WeakPolarHBondContact O-CB 3.41Å; L269-M273 VanDerWaalsContact O-CG 3.29Å; L269-M273 WeakPolarHBondContact O-CG 3.28Å; L269-M273 PolarHBondContact O-N 2.64Å; M273-K275 VanDerWaalsContact C-N 3.31Å; M273-V276 HydrophobicContact CE-CG2 3.76Å; M273-V276 WeakPolarHBondContact O-CB 3.31Å; M273-V276 PolarHBondContact O-N 2.95Å; M273-M277 PolarHBondContact O-N 2.99Å; M273-N369 HydrophobicContact CE-CB 4.34Å
274	N	98.8	Very high	98.7	Very high	69 Å²	69	50.3 Å²	50.3	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-64.9	-37.6	167.8	-79.7	-65.8	0	0	0	111.5	S270 V276 M277 E278	S270-N274 VanDerWaalsContact O-CB 3.3Å; S270-N274 WeakPolarHBondContact O-CB 3.32Å; S270-N274 PolarHBondContact O-N 3.49Å; S270-N274 PolarHBondContact O-ND2 3.32Å; S270-N274 PolarHBondContact OG-ND2 3.05Å; N274-V276 VanDerWaalsContact C-N 3.33Å; N274-V276 PolarHBondContact O-N 3.01Å; N274-M277 WeakPolarHBondContact O-CB 3.49Å; N274-M277 PolarHBondContact O-N 2.89Å; N274-M277 VanDerWaalsContact O-N 3.12Å; N274-E278 WeakPolarHBondContact O-CG 3.24Å; N274-E278 PolarHBondContact O-N 2.82Å
275	K	98.9	Very high	98.7	Very high	80 Å²	80	52.9 Å²	52.9	35%	0.348	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-34.5	174.6	-163.7	173.7	-178	-163.3	0	112.8	L271 E272 M273 M277 E278 L279 D366	L271-K275 PolarHBondContact O-N 3.32Å; L271-K275 VanDerWaalsContact O-N 3.12Å; E272-K275 WeakPolarHBondContact O-CB 3.3Å; E272-K275 PolarHBondContact O-N 2.87Å; M273-K275 VanDerWaalsContact C-N 3.31Å; K275-M277 VanDerWaalsContact C-N 3.34Å; K275-E278 PolarHBondContact O-N 2.82Å; K275-L279 PolarHBondContact O-N 2.74Å; K275-D366 VanDerWaalsContact CD-OD1 3.31Å; K275-D366 WeakPolarHBondContact CD-OD1 3.38Å; K275-D366 VanDerWaalsContact CE-CG 3.44Å; K275-D366 WeakPolarHBondContact CE-OD1 3.45Å; K275-D366 WeakPolarHBondContact CE-OD2 3.24Å; K275-D366 IonicContact NZ-OD1 2.76Å; K275-D366 PolarHBondContact NZ-OD1 3.32Å; K275-D366 IonicContact NZ-OD2 3.56Å; K275-D366 PolarHBondContact NZ-OD2 2.87Å
276	V	98.9	Very high	98.7	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-43.9	169.4	169.7	0	0	0	0	111.1	M249 E272 M273 N274 L279 E280 N369 L370	M249-V276 HydrophobicContact CE-CG1 3.82Å; M249-V276 HydrophobicContact SD-CB 4.19Å; M249-V276 HydrophobicContact SD-CG1 3.86Å; E272-V276 PolarHBondContact O-N 3.27Å; M273-V276 HydrophobicContact CE-CG2 3.76Å; M273-V276 WeakPolarHBondContact O-CB 3.31Å; M273-V276 PolarHBondContact O-N 2.95Å; N274-V276 VanDerWaalsContact C-N 3.33Å; N274-V276 PolarHBondContact O-N 3.01Å; V276-L279 PolarHBondContact O-N 2.97Å; V276-E280 PolarHBondContact O-N 3.24Å; V276-N369 HydrophobicContact CG2-CB 3.55Å; V276-L370 HydrophobicContact CG1-CB 3.99Å; V276-L370 HydrophobicContact CG1-CD1 3.72Å; V276-L370 HydrophobicContact CG1-CG 4.45Å
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	-65.3	-40.3	176.6	-176.2	57.7	178.8	0	0	112.3	L226 Y232 C234 C242 Y245 V246 M273 N274 K275 E280 K281	L226-M277 HydrophobicContact CD1-CE 3.9Å; Y232-M277 HydrophobicContact CD1-CE 3.64Å; Y232-M277 HydrophobicContact CD1-SD 4.1Å; Y232-M277 HydrophobicContact CE1-CE 3.93Å; Y232-M277 HydrophobicContact CE1-SD 3.9Å; C234-M277 WeakPolarHBondContact SG-CE 3.42Å; C242-M277 HydrophobicContact CB-CE 4.06Å; C242-M277 VanDerWaalsContact SG-CE 3.57Å; Y245-M277 HydrophobicContact CD1-SD 3.91Å; Y245-M277 HydrophobicContact CE1-SD 4.12Å; V246-M277 HydrophobicContact CG2-CB 3.79Å; V246-M277 HydrophobicContact CG2-CG 3.96Å; M273-M277 PolarHBondContact O-N 2.99Å; N274-M277 WeakPolarHBondContact O-CB 3.49Å; N274-M277 PolarHBondContact O-N 2.89Å; N274-M277 VanDerWaalsContact O-N 3.12Å; K275-M277 VanDerWaalsContact C-N 3.34Å; M277-E280 PolarHBondContact O-N 3.39Å; M277-K281 HydrophobicContact CE-CD 4.5Å; M277-K281 HydrophobicContact CE-CG 4.12Å; M277-K281 WeakPolarHBondContact O-CB 3.11Å; M277-K281 VanDerWaalsContact O-CG 3.28Å; M277-K281 WeakPolarHBondContact O-CG 3.46Å; M277-K281 PolarHBondContact O-N 3.34Å
278	E	98.9	Very high	98.8	Very high	116 Å²	116	39.8 Å²	39.8	54%	0.542	20%	0.201	S	C	.	.	H	α-helix	trans	-59.9	-46.5	174.1	-72.7	176.7	173.4	0	0	111.9	N274 K275 K281 E282	N274-E278 WeakPolarHBondContact O-CG 3.24Å; N274-E278 PolarHBondContact O-N 2.82Å; K275-E278 PolarHBondContact O-N 2.82Å; E278-K281 WeakPolarHBondContact O-CB 3.44Å; E278-K281 PolarHBondContact O-N 2.88Å; E278-E282 PolarHBondContact O-N 3.1Å; E278-E282 VanDerWaalsContact O-N 3.13Å
279	L	98.9	Very high	98.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.7	-49	174.2	171.5	59.8	0	0	0	111.7	K275 V276 K281 E282 I283 I358 Y362 L367 L370	K275-L279 PolarHBondContact O-N 2.74Å; V276-L279 PolarHBondContact O-N 2.97Å; L279-K281 VanDerWaalsContact C-N 3.3Å; L279-K281 PolarHBondContact O-N 2.95Å; L279-E282 PolarHBondContact O-N 2.86Å; L279-I283 HydrophobicContact CD1-CD1 3.9Å; L279-I283 HydrophobicContact CD1-CG1 4.31Å; L279-I283 HydrophobicContact CG-CD1 3.98Å; L279-I283 WeakPolarHBondContact O-CG1 3.31Å; L279-I283 PolarHBondContact O-N 3.38Å; L279-I358 HydrophobicContact CD1-CG2 4.31Å; L279-Y362 WeakPolarHBondContact CA-OH 3.41Å; L279-Y362 HydrophobicContact CB-CD1 4.13Å; L279-Y362 HydrophobicContact CB-CE1 3.64Å; L279-Y362 HydrophobicContact CB-CE2 4.48Å; L279-Y362 HydrophobicContact CD1-CD1 4.11Å; L279-Y362 HydrophobicContact CD1-CD2 3.58Å; L279-Y362 HydrophobicContact CD1-CE1 4.11Å; L279-Y362 HydrophobicContact CD1-CE2 3.61Å; L279-Y362 HydrophobicContact CD1-CG 3.85Å; L279-Y362 HydrophobicContact CD2-CD1 4.45Å; L279-Y362 HydrophobicContact CG-CD1 4.45Å; L279-Y362 HydrophobicContact CG-CE1 4.35Å; L279-L367 HydrophobicContact CD1-CD2 4.19Å; L279-L367 HydrophobicContact CD2-CD2 3.83Å; L279-L370 HydrophobicContact CD2-CB 3.88Å; L279-L370 HydrophobicContact CD2-CD2 3.68Å; L279-L370 HydrophobicContact CD2-CG 4.44Å; L279-L370 HydrophobicContact CG-CD2 3.81Å
280	E	98.9	Very high	98.6	Very high	5 Å²	5	43.2 Å²	43.2	2%	0.023	22%	0.221	C	C	.	.	H	α-helix	trans	-69.1	-28.6	-177.9	-157.3	176	-150.7	0	0	112.2	L224 G225 Y232 Y245 V276 M277 I283 A284 L370 R374	L224-E280 HydrophobicContact CD2-CG 4.39Å; G225-E280 PolarHBondContact N-OE1 3.19Å; Y232-E280 HydrophobicContact CE1-CB 3.87Å; Y232-E280 HydrophobicContact CE1-CG 3.71Å; Y232-E280 WeakPolarHBondContact OH-CG 3.42Å; Y232-E280 PolarHBondContact OH-OE1 3.11Å; Y232-E280 PolarHBondContact OH-OE2 3.18Å; Y245-E280 WeakPolarHBondContact CE1-OE2 3.44Å; Y245-E280 PolarHBondContact OH-OE2 3.01Å; V276-E280 PolarHBondContact O-N 3.24Å; M277-E280 PolarHBondContact O-N 3.39Å; E280-I283 PolarHBondContact O-N 3.08Å; E280-A284 VanDerWaalsContact O-CB 3.24Å; E280-A284 WeakPolarHBondContact O-CB 3.41Å; E280-A284 PolarHBondContact O-N 3.4Å; E280-L370 HydrophobicContact CB-CD1 4.06Å; E280-L370 HydrophobicContact CB-CD2 4.22Å; E280-L370 HydrophobicContact CG-CD1 4.12Å; E280-L370 HydrophobicContact CG-CD2 4.39Å; E280-R374 VanDerWaalsContact OE1-CD 3.32Å; E280-R374 WeakPolarHBondContact OE1-CD 3.34Å; E280-R374 IonicContact OE1-NE 3.72Å; E280-R374 PolarHBondContact OE1-NE 2.67Å
281	K	98.9	Very high	98.3	Very high	80 Å²	80	43.1 Å²	43.1	35%	0.348	22%	0.215	S	C	.	.	H	α-helix	trans	-61.5	-45	168.9	-78.5	179.4	174.7	-175.2	0	112.1	Y232 C234 M277 E278 L279 I283 A284 N285	Y232-K281 HydrophobicContact CD1-CB 4.34Å; Y232-K281 HydrophobicContact CD1-CG 3.72Å; Y232-K281 HydrophobicContact CG-CG 4.38Å; Y232-K281 WeakPolarHBondContact O-CE 3.45Å; C234-K281 WeakPolarHBondContact SG-CE 3.37Å; M277-K281 HydrophobicContact CE-CD 4.5Å; M277-K281 HydrophobicContact CE-CG 4.12Å; M277-K281 WeakPolarHBondContact O-CB 3.11Å; M277-K281 VanDerWaalsContact O-CG 3.28Å; M277-K281 WeakPolarHBondContact O-CG 3.46Å; M277-K281 PolarHBondContact O-N 3.34Å; E278-K281 WeakPolarHBondContact O-CB 3.44Å; E278-K281 PolarHBondContact O-N 2.88Å; L279-K281 VanDerWaalsContact C-N 3.3Å; L279-K281 PolarHBondContact O-N 2.95Å; K281-I283 VanDerWaalsContact C-N 3.35Å; K281-A284 PolarHBondContact O-N 3.48Å; K281-N285 WeakPolarHBondContact O-CB 3.36Å; K281-N285 PolarHBondContact O-N 2.72Å
282	E	98.9	Very high	98.2	Very high	51 Å²	51	43.3 Å²	43.3	24%	0.238	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-42.2	176.5	-70.8	-163.4	-122.1	0	0	111.5	E278 L279 N285 A286 I358 K361 Y362	E278-E282 PolarHBondContact O-N 3.1Å; E278-E282 VanDerWaalsContact O-N 3.13Å; L279-E282 PolarHBondContact O-N 2.86Å; E282-N285 PolarHBondContact O-N 3.3Å; E282-A286 PolarHBondContact O-N 2.93Å; E282-I358 HydrophobicContact CB-CD1 4.14Å; E282-I358 HydrophobicContact CB-CG1 4.3Å; E282-I358 HydrophobicContact CB-CG2 3.88Å; E282-I358 WeakPolarHBondContact O-CD1 3.3Å; E282-K361 IonicContact OE1-NZ 3.52Å; E282-K361 IonicContact OE2-NZ 2.8Å; E282-K361 PolarHBondContact OE2-NZ 2.87Å; E282-Y362 WeakPolarHBondContact OE1-CE2 3.22Å; E282-Y362 PolarHBondContact OE1-OH 2.89Å
283	I	98.9	Very high	98.1	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-48.2	175.7	-68.2	166.8	0	0	0	110.7	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 4.09Å; L279-I283 HydrophobicContact CD1-CD1 3.9Å; L279-I283 HydrophobicContact CD1-CG1 4.31Å; L279-I283 HydrophobicContact CG-CD1 3.98Å; L279-I283 WeakPolarHBondContact O-CG1 3.31Å; L279-I283 PolarHBondContact O-N 3.38Å; E280-I283 PolarHBondContact O-N 3.08Å; K281-I283 VanDerWaalsContact C-N 3.35Å; I283-N285 VanDerWaalsContact C-N 3.29Å; I283-N285 PolarHBondContact O-N 3.04Å; I283-A286 WeakPolarHBondContact O-CB 3.19Å; I283-A286 PolarHBondContact O-N 3.2Å; I283-T287 WeakPolarHBondContact O-CG2 3.38Å; I283-T287 PolarHBondContact O-N 3.03Å; I283-Y351 HydrophobicContact CG2-CE2 4.26Å; I283-L355 HydrophobicContact CG1-CD1 4.45Å; I283-L370 HydrophobicContact CD1-CD2 3.65Å
284	A	98.9	Very high	97.9	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-57.8	-42.8	178	0	0	0	0	0	111.5	L224 R229 Y232 E280 K281 A286 T287	L224-A284 HydrophobicContact CD1-CB 3.64Å; L224-A284 HydrophobicContact CD2-CB 4.12Å; R229-A284 HydrophobicContact CB-CB 4.44Å; Y232-A284 HydrophobicContact CD1-CB 4.1Å; Y232-A284 HydrophobicContact CD2-CB 3.45Å; Y232-A284 VanDerWaalsContact CD2-CB 3.45Å; Y232-A284 HydrophobicContact CE2-CB 3.96Å; Y232-A284 HydrophobicContact CG-CB 3.53Å; E280-A284 VanDerWaalsContact O-CB 3.24Å; E280-A284 WeakPolarHBondContact O-CB 3.41Å; E280-A284 PolarHBondContact O-N 3.4Å; K281-A284 PolarHBondContact O-N 3.48Å; A284-A286 VanDerWaalsContact C-N 3.3Å; A284-A286 PolarHBondContact O-N 3.09Å; A284-T287 PolarHBondContact O-N 3.15Å; A284-T287 PolarHBondContact O-OG1 3.01Å
285	N	98.8	Very high	97.8	Very high	118 Å²	118	46 Å²	46	63%	0.631	23%	0.228	S	C	*	.	H	α-helix	trans	-65.7	-33.5	176.5	-172	51.2	0	0	0	112.7	K281 E282 I283 T287	K281-N285 WeakPolarHBondContact O-CB 3.36Å; K281-N285 PolarHBondContact O-N 2.72Å; E282-N285 PolarHBondContact O-N 3.3Å; I283-N285 VanDerWaalsContact C-N 3.29Å; I283-N285 PolarHBondContact O-N 3.04Å; N285-T287 VanDerWaalsContact C-N 3.34Å
286	A	98.8	Very high	97.7	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-71.7	-25.2	175.3	0	0	0	0	0	113.6	E282 I283 A284 Y351 K354 I358	E282-A286 PolarHBondContact O-N 2.93Å; I283-A286 WeakPolarHBondContact O-CB 3.19Å; I283-A286 PolarHBondContact O-N 3.2Å; A284-A286 VanDerWaalsContact C-N 3.3Å; A284-A286 PolarHBondContact O-N 3.09Å; A286-Y351 HydrophobicContact CB-CD2 3.93Å; A286-Y351 HydrophobicContact CB-CE2 4.07Å; A286-K354 HydrophobicContact CB-CB 3.8Å; A286-I358 HydrophobicContact CB-CD1 3.72Å
287	T	98.8	Very high	97.6	Very high	8 Å²	8	45 Å²	45	5%	0.049	23%	0.226	C	C	.	.	S	Bend	trans	-65.2	139.5	177.4	68.1	0	0	0	0	112	Q221 L224 R229 I283 A284 N285 Y351	Q221-T287 HydrophobicContact CB-CG2 4.21Å; L224-T287 HydrophobicContact CD2-CG2 4.43Å; R229-T287 PolarHBondContact NE-O 3.36Å; I283-T287 WeakPolarHBondContact O-CG2 3.38Å; I283-T287 PolarHBondContact O-N 3.03Å; A284-T287 PolarHBondContact O-N 3.15Å; A284-T287 PolarHBondContact O-OG1 3.01Å; N285-T287 VanDerWaalsContact C-N 3.34Å; T287-Y351 HydrophobicContact CG2-CD2 4.27Å; T287-Y351 HydrophobicContact CG2-CE2 4.15Å
288	T	98.3	Very high	97.5	Very high	22 Å²	22	50.9 Å²	50.9	14%	0.135	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-75.8	139.4	176.2	-56.3	0	0	0	0	109.5	Q221 D292 R293	Q221-T288 PolarHBondContact NE2-O 3.1Å; T288-D292 HydrophobicContact CG2-CB 3.57Å; T288-R293 HydrophobicContact CG2-CG 3.77Å
289	K	97.6	Very high	97.5	Very high	95 Å²	95	46.8 Å²	46.8	41%	0.413	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-70.4	157.1	-178.6	-48.4	-178.2	173.8	177.7	0	111.1	E291 D292 R293	K289-E291 VanDerWaalsContact C-N 3.26Å; K289-E291 WeakPolarHBondContact CB-OE2 3.22Å; K289-E291 PolarHBondContact O-N 3.09Å; K289-D292 PolarHBondContact O-N 2.91Å; K289-R293 WeakPolarHBondContact O-CG 3.11Å
290	P	95.6	Very high	97.5	Very high	65 Å²	65	47.7 Å²	47.7	42%	0.422	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-59.1	-34.1	178.6	-23.8	35	0	0	0	113.9	D292 R293 N294	P290-D292 PolarHBondContact O-N 3.25Å; P290-R293 PolarHBondContact O-N 2.89Å; P290-N294 PolarHBondContact O-N 2.65Å
291	E	93.1	Very high	97.5	Very high	44 Å²	44	50.2 Å²	50.2	21%	0.206	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-63.9	-30.8	-179.3	-55.3	73.7	-166.6	0	0	112.1	K289 R293 N294 N640 I642 N643	K289-E291 VanDerWaalsContact C-N 3.26Å; K289-E291 WeakPolarHBondContact CB-OE2 3.22Å; K289-E291 PolarHBondContact O-N 3.09Å; E291-R293 VanDerWaalsContact C-N 3.28Å; E291-N294 PolarHBondContact O-OD1 2.97Å; E291-N294 VanDerWaalsContact O-OD1 3.07Å; E291-N640 PolarHBondContact OE1-ND2 3.4Å; E291-I642 HydrophobicContact CB-CG2 4.05Å; E291-I642 HydrophobicContact CG-CB 4.19Å; E291-I642 HydrophobicContact CG-CD1 4.35Å; E291-I642 HydrophobicContact CG-CG2 4.13Å; E291-N643 VanDerWaalsContact CG-OD1 3.28Å; E291-N643 WeakPolarHBondContact CG-OD1 3.31Å; E291-N643 PolarHBondContact N-OD1 2.86Å; E291-N643 PolarHBondContact OE1-ND2 3.2Å; E291-N643 PolarHBondContact OE1-OD1 3.21Å
292	D	95.9	Very high	97.5	Very high	117 Å²	117	50.1 Å²	50.1	63%	0.626	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-90.4	6.5	179.4	-57.1	-44.6	0	0	0	111.8	T288 K289 P290	T288-D292 HydrophobicContact CG2-CB 3.57Å; K289-D292 PolarHBondContact O-N 2.91Å; P290-D292 PolarHBondContact O-N 3.25Å
293	R	97.4	Very high	97.4	Very high	48 Å²	48	48.9 Å²	48.9	18%	0.181	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-125.2	6.1	-177.3	-66.2	176.4	58.2	95.7	2.7	113.6	D220 T288 K289 P290 E291 L299	D220-R293 VanDerWaalsContact CG-NH2 3.28Å; D220-R293 IonicContact OD1-CZ 3.94Å; D220-R293 IonicContact OD1-NH1 3.62Å; D220-R293 PolarHBondContact OD1-NH1 2.8Å; D220-R293 IonicContact OD1-NH2 2.94Å; D220-R293 PolarHBondContact OD1-NH2 3.36Å; D220-R293 IonicContact OD2-CZ 3.36Å; D220-R293 IonicContact OD2-NH1 3.08Å; D220-R293 IonicContact OD2-NH2 3.42Å; D220-R293 PolarHBondContact OD2-NH2 2.73Å; T288-R293 HydrophobicContact CG2-CG 3.77Å; K289-R293 WeakPolarHBondContact O-CG 3.11Å; P290-R293 PolarHBondContact O-N 2.89Å; E291-R293 VanDerWaalsContact C-N 3.28Å; R293-L299 HydrophobicContact CB-CD1 4.14Å; R293-L299 HydrophobicContact CG-CD1 4.05Å
294	N	93.3	Very high	97.4	Very high	56 Å²	56	50.5 Å²	50.5	30%	0.299	26%	0.261	S	S	.	.			trans	-80.1	-22.5	-175.8	62.6	-5.8	0	0	0	113.8	P290 E291 P296 I642	P290-N294 PolarHBondContact O-N 2.65Å; E291-N294 PolarHBondContact O-OD1 2.97Å; E291-N294 VanDerWaalsContact O-OD1 3.07Å; N294-P296 WeakPolarHBondContact O-CD 3.42Å; N294-I642 WeakPolarHBondContact ND2-CG2 3.36Å
295	D	97.1	Very high	97.4	Very high	40 Å²	40	50.5 Å²	50.5	21%	0.214	26%	0.26	C	S	.	.			trans	-86.6	105.4	176	-169.2	-32.7	0	0	0	110.8	M297 L298 L299	D295-M297 PolarHBondContact O-N 2.74Å; D295-M297 WeakPolarHBondContact OD1-CB 3.29Å; D295-M297 PolarHBondContact OD1-N 2.95Å; D295-L298 HydrophobicContact CB-CB 4.31Å; D295-L298 HydrophobicContact CB-CD1 4.14Å; D295-L298 HydrophobicContact CB-CG 4.21Å; D295-L298 PolarHBondContact O-N 2.9Å; D295-L298 PolarHBondContact OD1-N 3.22Å; D295-L299 WeakPolarHBondContact O-CB 3.44Å; D295-L299 PolarHBondContact O-N 3.35Å
296	P	97.2	Very high	97.4	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.058	25%	0.25	C	S	.	.	H	α-helix	trans	-66.3	-25.1	-177.7	28.3	-35.5	0	0	0	113	N294 Y300 N596 F597 L603	N294-P296 WeakPolarHBondContact O-CD 3.42Å; P296-Y300 WeakPolarHBondContact O-CB 3.44Å; P296-Y300 PolarHBondContact O-N 3.09Å; P296-Y300 VanDerWaalsContact O-N 3.1Å; P296-N596 HydrophobicContact CG-CB 3.77Å; P296-F597 HydrophobicContact CB-CE2 4.23Å; P296-F597 HydrophobicContact CB-CZ 4.33Å; P296-F597 HydrophobicContact CG-CE2 4.13Å; P296-L603 HydrophobicContact CB-CD1 3.88Å; P296-L603 HydrophobicContact CB-CD2 4.41Å; P296-L603 HydrophobicContact CG-CD1 3.84Å; P296-L603 WeakPolarHBondContact O-CD2 3.16Å
297	M	96.8	Very high	97.4	Very high	52 Å²	52	51.6 Å²	51.6	26%	0.256	27%	0.27	S	S	.	.	H	α-helix	trans	-68.7	-38.2	178.2	-72.6	-70.5	-175.8	0	0	111.9	D295 N596 L603 V604 D605	D295-M297 PolarHBondContact O-N 2.74Å; D295-M297 WeakPolarHBondContact OD1-CB 3.29Å; D295-M297 PolarHBondContact OD1-N 2.95Å; M297-N596 HydrophobicContact CE-CB 4.39Å; M297-L603 HydrophobicContact CE-CD1 3.67Å; M297-L603 HydrophobicContact CE-CG 3.79Å; M297-L603 HydrophobicContact CG-CD1 4.06Å; M297-L603 HydrophobicContact CG-CG 4.49Å; M297-L603 HydrophobicContact SD-CD1 3.79Å; M297-L603 HydrophobicContact SD-CD2 4.13Å; M297-L603 HydrophobicContact SD-CG 3.64Å; M297-V604 VanDerWaalsContact CE-C 3.44Å; M297-D605 HydrophobicContact CE-CB 4.34Å
298	L	97.4	Very high	97.4	Very high	132 Å²	132	51.2 Å²	51.2	69%	0.691	27%	0.267	S	S	*	.	H	α-helix	trans	-79.4	-32.6	177.3	-61	-179.4	0	0	0	112	D295 Y300 N301	D295-L298 HydrophobicContact CB-CB 4.31Å; D295-L298 HydrophobicContact CB-CD1 4.14Å; D295-L298 HydrophobicContact CB-CG 4.21Å; D295-L298 PolarHBondContact O-N 2.9Å; D295-L298 PolarHBondContact OD1-N 3.22Å; L298-Y300 VanDerWaalsContact C-N 3.35Å; L298-N301 PolarHBondContact O-ND2 2.69Å; L298-N301 VanDerWaalsContact O-ND2 3.13Å
299	L	97.9	Very high	97.3	Very high	31 Å²	31	53.1 Å²	53.1	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-68.6	-34.5	178.7	-162.4	69.7	0	0	0	111.9	R293 D295 N301 Y347	R293-L299 HydrophobicContact CB-CD1 4.14Å; R293-L299 HydrophobicContact CG-CD1 4.05Å; D295-L299 WeakPolarHBondContact O-CB 3.44Å; D295-L299 PolarHBondContact O-N 3.35Å; L299-N301 PolarHBondContact O-N 3.07Å; L299-N301 PolarHBondContact O-ND2 2.91Å; L299-Y347 HydrophobicContact CB-CD1 4.48Å; L299-Y347 WeakPolarHBondContact CD1-O 3.33Å; L299-Y347 HydrophobicContact CD2-CD1 4.05Å; L299-Y347 HydrophobicContact CD2-CE1 4.48Å; L299-Y347 HydrophobicContact CD2-CG 4.24Å; L299-Y347 HydrophobicContact CG-CD1 3.74Å; L299-Y347 HydrophobicContact CG-CE1 4.48Å; L299-Y347 HydrophobicContact CG-CG 4.1Å; L299-Y347 WeakPolarHBondContact O-CD1 3.31Å
300	Y	98.7	Very high	97.4	Very high	18 Å²	18	53 Å²	53	7%	0.071	29%	0.286	C	S	.	.			trans	-75	102.1	-178	-172.5	-84.4	0	0	0	112.8	D208 D209 K210 P296 L298 K302 V345 L603	D208-Y300 VanDerWaalsContact OD1-CE2 3.32Å; D208-Y300 WeakPolarHBondContact OD1-CE2 3.42Å; D208-Y300 PolarHBondContact OD1-OH 3.27Å; D208-Y300 PolarHBondContact OD2-OH 3.29Å; D209-Y300 HydrophobicContact CB-CD2 3.72Å; D209-Y300 HydrophobicContact CB-CE2 3.84Å; K210-Y300 HydrophobicContact CB-CE1 4.3Å; K210-Y300 HydrophobicContact CB-CE2 4.39Å; K210-Y300 HydrophobicContact CD-CD1 3.78Å; K210-Y300 HydrophobicContact CD-CE1 3.46Å; K210-Y300 VanDerWaalsContact CD-CE1 3.46Å; K210-Y300 VanDerWaalsContact CE-CD1 3.46Å; K210-Y300 HydrophobicContact CG-CD1 4.06Å; K210-Y300 HydrophobicContact CG-CD2 4.39Å; K210-Y300 HydrophobicContact CG-CE1 3.68Å; K210-Y300 HydrophobicContact CG-CE2 4.02Å; K210-Y300 HydrophobicContact CG-CG 4.39Å; P296-Y300 WeakPolarHBondContact O-CB 3.44Å; P296-Y300 PolarHBondContact O-N 3.09Å; P296-Y300 VanDerWaalsContact O-N 3.1Å; L298-Y300 VanDerWaalsContact C-N 3.35Å; Y300-K302 HydrophobicContact CD1-CB 4.4Å; Y300-K302 HydrophobicContact CE1-CB 3.6Å; Y300-K302 HydrophobicContact CE1-CD 4.39Å; Y300-K302 WeakPolarHBondContact OH-CD 3.44Å; Y300-V345 HydrophobicContact CD2-CG1 3.86Å; Y300-V345 HydrophobicContact CD2-CG2 4.26Å; Y300-V345 HydrophobicContact CE2-CG1 4.08Å; Y300-V345 HydrophobicContact CE2-CG2 3.61Å; Y300-V345 HydrophobicContact CG-CG1 4.38Å; Y300-L603 HydrophobicContact CD2-CD2 4.3Å; Y300-L603 HydrophobicContact CG-CD2 4.12Å
301	N	98.6	Very high	97.5	Very high	58 Å²	58	54.6 Å²	54.6	31%	0.31	29%	0.291	S	S	.	.			trans	-119.2	91.2	176.8	-59	-94.3	0	0	0	110.6	L298 L299 M303 V346	L298-N301 PolarHBondContact O-ND2 2.69Å; L298-N301 VanDerWaalsContact O-ND2 3.13Å; L299-N301 PolarHBondContact O-N 3.07Å; L299-N301 PolarHBondContact O-ND2 2.91Å; N301-M303 HydrophobicContact CB-CE 4.29Å; N301-V346 WeakPolarHBondContact CB-O 3.34Å; N301-V346 PolarHBondContact ND2-O 3.39Å; N301-V346 PolarHBondContact O-N 2.84Å
302	K	98.7	Very high	97.7	Very high	79 Å²	79	53.4 Å²	53.4	34%	0.343	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	131.6	177.7	-171.1	173.3	-173.7	171.5	0	111.3	D208 I216 Y300 E343 V344	D208-K302 IonicContact OD2-NZ 3.24Å; D208-K302 PolarHBondContact OD2-NZ 2.79Å; I216-K302 HydrophobicContact CD1-CD 4.39Å; Y300-K302 HydrophobicContact CD1-CB 4.4Å; Y300-K302 HydrophobicContact CE1-CB 3.6Å; Y300-K302 HydrophobicContact CE1-CD 4.39Å; Y300-K302 WeakPolarHBondContact OH-CD 3.44Å; K302-E343 VanDerWaalsContact CE-CB 3.48Å; K302-E343 VanDerWaalsContact CE-OE1 3.31Å; K302-E343 WeakPolarHBondContact CE-OE1 3.42Å; K302-E343 WeakPolarHBondContact CE-OE2 3.49Å; K302-E343 IonicContact NZ-OE1 3.04Å; K302-E343 IonicContact NZ-OE2 3.72Å; K302-E343 PolarHBondContact NZ-OE2 3.21Å; K302-V344 WeakPolarHBondContact CA-O 3.23Å
303	M	98.7	Very high	97.8	Very high	25 Å²	25	50 Å²	50	12%	0.123	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	169.8	177.1	66.1	-171.2	72.5	0	0	111	N301 Q307 L308 F312 E343 V344 V346	N301-M303 HydrophobicContact CB-CE 4.29Å; M303-Q307 HydrophobicContact CB-CB 4.04Å; M303-Q307 HydrophobicContact CG-CB 4.46Å; M303-L308 HydrophobicContact CG-CB 4.49Å; M303-L308 HydrophobicContact SD-CB 4.16Å; M303-L308 HydrophobicContact SD-CD1 4.34Å; M303-F312 HydrophobicContact CE-CE2 3.89Å; M303-F312 HydrophobicContact SD-CD2 4.39Å; M303-F312 HydrophobicContact SD-CE2 3.79Å; M303-E343 WeakPolarHBondContact O-CA 3.29Å; M303-V344 HydrophobicContact CG-CG2 4.14Å; M303-V344 PolarHBondContact N-O 2.87Å; M303-V344 PolarHBondContact O-N 2.81Å; M303-V344 VanDerWaalsContact O-O 3.12Å; M303-V346 HydrophobicContact CE-CB 3.99Å; M303-V346 HydrophobicContact CE-CG2 3.78Å; M303-V346 HydrophobicContact CG-CG2 4.18Å; M303-V346 HydrophobicContact SD-CG2 3.87Å
304	T	98.7	Very high	97.8	Very high	39 Å²	39	48 Å²	48	24%	0.239	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	156.8	171.4	58.3	0	0	0	0	111.5	A306 Q307 L308 E342	T304-A306 PolarHBondContact O-N 2.99Å; T304-Q307 WeakPolarHBondContact O-CB 3.38Å; T304-Q307 PolarHBondContact O-N 2.83Å; T304-Q307 VanDerWaalsContact OG1-CG 3.28Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.34Å; T304-Q307 PolarHBondContact OG1-N 2.91Å; T304-Q307 PolarHBondContact OG1-OE1 3.47Å; T304-L308 PolarHBondContact O-N 2.7Å; T304-E342 CarbonylContact C-O 3.45Å; T304-E342 VanDerWaalsContact CA-O 3.28Å; T304-E342 WeakPolarHBondContact CA-O 3.41Å
305	M	98.1	Very high	98.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-56.2	-35.5	173	-168.3	63.5	64.4	0	0	112.3	F219 L308 Q309 W323 T327 I338 N340 E342 V344	F219-M305 HydrophobicContact CE2-CE 4.07Å; F219-M305 HydrophobicContact CZ-CE 4.11Å; F219-M305 HydrophobicContact CZ-SD 4.43Å; M305-L308 WeakPolarHBondContact O-CB 3.32Å; M305-L308 PolarHBondContact O-N 3.14Å; M305-L308 HydrophobicContact SD-CD2 3.78Å; M305-Q309 PolarHBondContact O-N 2.89Å; M305-W323 HydrophobicContact SD-CB 3.81Å; M305-T327 HydrophobicContact CE-CG2 3.92Å; M305-T327 WeakPolarHBondContact CE-OG1 3.33Å; M305-I338 HydrophobicContact CE-CG2 4.38Å; M305-N340 WeakPolarHBondContact CB-O 3.29Å; M305-N340 PolarHBondContact N-O 2.97Å; M305-E342 HydrophobicContact CB-CB 4.48Å; M305-E342 PolarHBondContact N-O 2.9Å; M305-V344 HydrophobicContact CE-CG1 3.55Å
306	A	98.3	Very high	98	Very high	51 Å²	51	48.1 Å²	48.1	42%	0.421	26%	0.261	S	S	.	.	H	α-helix	trans	-62.4	-43.5	173.3	0	0	0	0	0	112.7	T304 Q309 S310 N340	T304-A306 PolarHBondContact O-N 2.99Å; A306-Q309 PolarHBondContact O-N 2.84Å; A306-S310 PolarHBondContact O-N 2.74Å; A306-N340 HydrophobicContact CB-CB 4.39Å; A306-N340 PolarHBondContact N-O 3.13Å
307	Q	98.6	Very high	97.8	Very high	94 Å²	94	50.8 Å²	50.8	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-66	-39.4	174.7	-74.4	165.6	-39.6	0	0	111.6	M303 T304 Q309 S310 N311	M303-Q307 HydrophobicContact CB-CB 4.04Å; M303-Q307 HydrophobicContact CG-CB 4.46Å; T304-Q307 WeakPolarHBondContact O-CB 3.38Å; T304-Q307 PolarHBondContact O-N 2.83Å; T304-Q307 VanDerWaalsContact OG1-CG 3.28Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.34Å; T304-Q307 PolarHBondContact OG1-N 2.91Å; T304-Q307 PolarHBondContact OG1-OE1 3.47Å; Q307-Q309 VanDerWaalsContact C-N 3.33Å; Q307-Q309 PolarHBondContact O-N 2.98Å; Q307-S310 PolarHBondContact O-N 3.35Å; Q307-N311 VanDerWaalsContact O-CB 3.28Å; Q307-N311 WeakPolarHBondContact O-CB 3.49Å; Q307-N311 VanDerWaalsContact O-CG 3.23Å; Q307-N311 PolarHBondContact O-N 2.85Å
308	L	98.5	Very high	97.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.3	-47.4	173.9	179.7	65.2	0	0	0	111	F219 M303 T304 M305 S310 N311 F312 W323 V344 V346 L352	F219-L308 HydrophobicContact CD2-CD2 3.79Å; F219-L308 HydrophobicContact CE1-CD2 4.38Å; F219-L308 HydrophobicContact CE2-CD2 3.47Å; F219-L308 VanDerWaalsContact CE2-CD2 3.47Å; F219-L308 HydrophobicContact CG-CD2 4.38Å; F219-L308 HydrophobicContact CZ-CD2 3.8Å; M303-L308 HydrophobicContact CG-CB 4.49Å; M303-L308 HydrophobicContact SD-CB 4.16Å; M303-L308 HydrophobicContact SD-CD1 4.34Å; T304-L308 PolarHBondContact O-N 2.7Å; M305-L308 WeakPolarHBondContact O-CB 3.32Å; M305-L308 PolarHBondContact O-N 3.14Å; M305-L308 HydrophobicContact SD-CD2 3.78Å; L308-S310 VanDerWaalsContact C-N 3.35Å; L308-S310 PolarHBondContact O-N 3.35Å; L308-N311 PolarHBondContact O-N 3.07Å; L308-F312 HydrophobicContact CD1-CB 4.34Å; L308-F312 HydrophobicContact CD1-CD2 3.44Å; L308-F312 VanDerWaalsContact CD1-CD2 3.44Å; L308-F312 HydrophobicContact CD1-CE2 4.14Å; L308-F312 HydrophobicContact CD1-CG 4.27Å; L308-F312 PolarHBondContact O-N 3.47Å; L308-W323 HydrophobicContact CD1-CD2 4.45Å; L308-W323 HydrophobicContact CD1-CZ2 4.42Å; L308-W323 HydrophobicContact CD2-CB 4.18Å; L308-W323 HydrophobicContact CD2-CD2 3.65Å; L308-W323 HydrophobicContact CD2-CE3 3.55Å; L308-W323 HydrophobicContact CD2-CG 3.95Å; L308-W323 HydrophobicContact CD2-CZ3 4.16Å; L308-W323 HydrophobicContact CG-CD2 3.8Å; L308-W323 HydrophobicContact CG-CE3 4.16Å; L308-W323 HydrophobicContact CG-CG 3.97Å; L308-V344 HydrophobicContact CD2-CG2 4.3Å; L308-V346 HydrophobicContact CD1-CG2 3.79Å; L308-L352 HydrophobicContact CD1-CD1 4.09Å
309	Q	98.2	Very high	97.3	Very high	61 Å²	61	50.1 Å²	50.1	29%	0.285	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-40.2	177.1	-173.5	68.5	63.2	0	0	113	M305 A306 Q307 F321	M305-Q309 PolarHBondContact O-N 2.89Å; A306-Q309 PolarHBondContact O-N 2.84Å; Q307-Q309 VanDerWaalsContact C-N 3.33Å; Q307-Q309 PolarHBondContact O-N 2.98Å; Q309-F321 PolarHBondContact NE2-O 3.13Å; Q309-F321 PolarHBondContact OE1-O 3.38Å
310	S	97.7	Very high	97.3	Very high	94 Å²	94	53.7 Å²	53.7	66%	0.657	31%	0.307	S	S	*	.	H	α-helix	trans	-71.7	-43.1	179.6	-175.8	0	0	0	0	112.6	A306 Q307 L308	A306-S310 PolarHBondContact O-N 2.74Å; Q307-S310 PolarHBondContact O-N 3.35Å; L308-S310 VanDerWaalsContact C-N 3.35Å; L308-S310 PolarHBondContact O-N 3.35Å
311	N	98.3	Very high	97.2	Very high	98 Å²	98	53 Å²	53	52%	0.524	30%	0.304	S	S	.	.	H	α-helix	trans	-82.9	-31.2	-172.5	-66.5	-8.5	0	0	0	112.3	Q307 L308	Q307-N311 VanDerWaalsContact O-CB 3.28Å; Q307-N311 WeakPolarHBondContact O-CB 3.49Å; Q307-N311 VanDerWaalsContact O-CG 3.23Å; Q307-N311 PolarHBondContact O-N 2.85Å; L308-N311 PolarHBondContact O-N 3.07Å
312	F	98.3	Very high	97.2	Very high	19 Å²	19	52 Å²	52	8%	0.083	30%	0.302	C	S	.	.	S	Bend	trans	-126.8	58.7	-172.8	-51.4	-71.7	0	0	0	111.6	M303 L308 L314 W323 P349 L352	M303-F312 HydrophobicContact CE-CE2 3.89Å; M303-F312 HydrophobicContact SD-CD2 4.39Å; M303-F312 HydrophobicContact SD-CE2 3.79Å; L308-F312 HydrophobicContact CD1-CB 4.34Å; L308-F312 HydrophobicContact CD1-CD2 3.44Å; L308-F312 VanDerWaalsContact CD1-CD2 3.44Å; L308-F312 HydrophobicContact CD1-CE2 4.14Å; L308-F312 HydrophobicContact CD1-CG 4.27Å; L308-F312 PolarHBondContact O-N 3.47Å; F312-L314 PolarHBondContact O-N 3.03Å; F312-W323 HydrophobicContact CB-CZ2 4.32Å; F312-W323 PolarHBondContact O-NE1 3.33Å; F312-P349 HydrophobicContact CE1-CB 3.79Å; F312-P349 VanDerWaalsContact CE1-O 3.24Å; F312-P349 WeakPolarHBondContact CE1-O 3.44Å; F312-P349 HydrophobicContact CE2-CB 4.49Å; F312-P349 HydrophobicContact CZ-CB 3.47Å; F312-P349 VanDerWaalsContact CZ-CB 3.47Å; F312-L352 HydrophobicContact CB-CB 4.14Å; F312-L352 HydrophobicContact CB-CD1 4.35Å; F312-L352 HydrophobicContact CD1-CB 3.85Å; F312-L352 HydrophobicContact CD2-CD1 4.41Å; F312-L352 HydrophobicContact CG-CB 4.08Å; F312-L352 HydrophobicContact CG-CD1 4.19Å
313	S	97.6	Very high	97.2	Very high	45 Å²	45	48.2 Å²	48.2	32%	0.315	29%	0.286	S	S	.	.			trans	-62.2	129.1	172.6	67	0	0	0	0	110.6	K356	S313-K356 VanDerWaalsContact O-CD 3.23Å; S313-K356 WeakPolarHBondContact O-CD 3.41Å; S313-K356 WeakPolarHBondContact O-CG 2.99Å; S313-K356 WeakPolarHBondContact OG-CE 3.4Å; S313-K356 PolarHBondContact OG-NZ 2.96Å
314	L	98.4	Very high	97.2	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	29%	0.289	C	S	.	.			trans	-114.7	150	168.6	-59.2	173.6	0	0	0	109.5	I201 F312 I316 F321 W323 L355 K356 L359	I201-L314 HydrophobicContact CD1-CD1 3.9Å; F312-L314 PolarHBondContact O-N 3.03Å; L314-I316 HydrophobicContact CB-CG1 4.49Å; L314-F321 HydrophobicContact CB-CB 3.77Å; L314-F321 HydrophobicContact CB-CG 4.42Å; L314-F321 HydrophobicContact CD1-CD1 4.47Å; L314-F321 PolarHBondContact O-N 3.41Å; L314-W323 HydrophobicContact CD1-CH2 4.4Å; L314-W323 HydrophobicContact CD1-CZ2 3.91Å; L314-W323 HydrophobicContact CG-CZ2 4.41Å; L314-L355 HydrophobicContact CD1-CD2 4.34Å; L314-L355 HydrophobicContact CD2-CB 4.33Å; L314-L355 HydrophobicContact CD2-CG 4.5Å; L314-K356 HydrophobicContact CD2-CB 3.89Å; L314-L359 HydrophobicContact CD1-CD1 4.43Å
315	E	97.6	Very high	97.1	Very high	93 Å²	93	49.6 Å²	49.6	44%	0.435	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.3	171.6	-176.3	179.5	172.7	0	0	108.1	K319 T360	E315-K319 WeakPolarHBondContact CA-O 3.23Å; E315-T360 HydrophobicContact CB-CG2 4Å; E315-T360 HydrophobicContact CG-CG2 4.5Å; E315-T360 WeakPolarHBondContact O-CG2 3.42Å
316	I	95.8	Very high	97.2	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.2	-174.9	-50.8	176.3	0	0	0	107.5	W182 A184 L314 G318 K319 F321 L359 L367	W182-I316 HydrophobicContact CH2-CG2 3.91Å; W182-I316 HydrophobicContact CZ3-CG2 4.21Å; A184-I316 HydrophobicContact CB-CB 4.03Å; A184-I316 HydrophobicContact CB-CD1 3.58Å; A184-I316 HydrophobicContact CB-CG1 4.39Å; A184-I316 HydrophobicContact CB-CG2 3.83Å; L314-I316 HydrophobicContact CB-CG1 4.49Å; I316-G318 VanDerWaalsContact C-N 3.28Å; I316-G318 PolarHBondContact O-N 3.24Å; I316-K319 PolarHBondContact N-O 3.12Å; I316-K319 PolarHBondContact O-N 3.49Å; I316-K319 VanDerWaalsContact O-N 3.09Å; I316-F321 HydrophobicContact CD1-CD2 3.8Å; I316-F321 HydrophobicContact CD1-CE2 4.36Å; I316-F321 HydrophobicContact CD1-CG 4.45Å; I316-L359 HydrophobicContact CD1-CD1 3.57Å; I316-L359 HydrophobicContact CG1-CB 4.09Å; I316-L359 HydrophobicContact CG1-CD1 3.85Å; I316-L367 HydrophobicContact CG2-CD1 3.37Å
317	N	93.1	Very high	97.2	Very high	66 Å²	66	47.1 Å²	47.1	35%	0.353	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	39.3	-174.7	-169.1	35	0	0	0	113.5	W182 K319 P364	W182-N317 HydrophobicContact CZ3-CB 4.07Å; N317-K319 PolarHBondContact O-N 2.98Å; N317-K319 VanDerWaalsContact O-N 3.15Å; N317-P364 HydrophobicContact CB-CG 3.63Å; N317-P364 VanDerWaalsContact ND2-CG 3.32Å; N317-P364 WeakPolarHBondContact ND2-CG 3.43Å; N317-P364 VanDerWaalsContact OD1-CD 3.32Å; N317-P364 WeakPolarHBondContact OD1-CD 3.5Å; N317-P364 VanDerWaalsContact OD1-CG 3.29Å; N317-P364 WeakPolarHBondContact OD1-CG 3.3Å
318	G	89.7	Confident	97.2	Very high	60 Å²	60	44.3 Å²	44.3	62%	0.619	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	15.3	-177.5	0	0	0	0	0	114.4	I316	I316-G318 VanDerWaalsContact C-N 3.28Å; I316-G318 PolarHBondContact O-N 3.24Å
319	K	93.8	Very high	97.2	Very high	109 Å²	109	47.1 Å²	47.1	47%	0.474	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134	178	-65.7	-179	-177.6	178.3	0	109.9	E315 I316 N317 F321	E315-K319 WeakPolarHBondContact CA-O 3.23Å; I316-K319 PolarHBondContact N-O 3.12Å; I316-K319 PolarHBondContact O-N 3.49Å; I316-K319 VanDerWaalsContact O-N 3.09Å; N317-K319 PolarHBondContact O-N 2.98Å; N317-K319 VanDerWaalsContact O-N 3.15Å; K319-F321 PolarHBondContact O-N 3.41Å
320	P	97.3	Very high	97.2	Very high	107 Å²	107	44.2 Å²	44.2	70%	0.695	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	128.3	169.2	-20.6	32.3	0	0	0	110.4
321	F	98.6	Very high	97.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	23%	0.23	C	C	.	.			trans	-71.8	128.7	176.3	-172.6	-97.7	0	0	0	110.4	A184 E185 I188 I201 Q309 L314 I316 K319 W323 F326	A184-F321 HydrophobicContact CB-CD2 4.01Å; A184-F321 HydrophobicContact CB-CE2 4.03Å; E185-F321 HydrophobicContact CB-CE2 4.33Å; E185-F321 HydrophobicContact CG-CD2 3.84Å; E185-F321 HydrophobicContact CG-CE2 3.66Å; E185-F321 HydrophobicContact CG-CG 4.49Å; E185-F321 HydrophobicContact CG-CZ 4.13Å; E185-F321 WeakPolarHBondContact OE1-CA 3.4Å; I188-F321 HydrophobicContact CD1-CE2 4.32Å; I201-F321 HydrophobicContact CD1-CE1 4.08Å; I201-F321 HydrophobicContact CD1-CZ 3.88Å; Q309-F321 PolarHBondContact NE2-O 3.13Å; Q309-F321 PolarHBondContact OE1-O 3.38Å; L314-F321 HydrophobicContact CB-CB 3.77Å; L314-F321 HydrophobicContact CB-CG 4.42Å; L314-F321 HydrophobicContact CD1-CD1 4.47Å; L314-F321 PolarHBondContact O-N 3.41Å; I316-F321 HydrophobicContact CD1-CD2 3.8Å; I316-F321 HydrophobicContact CD1-CE2 4.36Å; I316-F321 HydrophobicContact CD1-CG 4.45Å; K319-F321 PolarHBondContact O-N 3.41Å; F321-W323 HydrophobicContact CD1-CD2 4.05Å; F321-W323 HydrophobicContact CD1-CG 4.19Å; F321-W323 AromaticContact CE1-CD2 3.88Å; F321-W323 HydrophobicContact CE1-CD2 3.88Å; F321-W323 AromaticContact CE1-CE3 3.89Å; F321-W323 HydrophobicContact CE1-CE3 3.89Å; F321-W323 HydrophobicContact CE1-CG 4.28Å; F321-W323 HydrophobicContact CE1-CZ3 4.27Å; F321-F326 HydrophobicContact CE1-CB 3.8Å; F321-F326 HydrophobicContact CE1-CD1 4.06Å; F321-F326 HydrophobicContact CE1-CG 4.03Å; F321-F326 HydrophobicContact CE2-CB 4.38Å; F321-F326 HydrophobicContact CZ-CB 3.51Å; F321-F326 AromaticContact CZ-CD1 3.84Å; F321-F326 HydrophobicContact CZ-CD1 3.84Å; F321-F326 HydrophobicContact CZ-CD2 4.02Å; F321-F326 AromaticContact CZ-CG 3.51Å; F321-F326 HydrophobicContact CZ-CG 3.51Å
322	S	98.4	Very high	97.3	Very high	38 Å²	38	38 Å²	38	27%	0.266	23%	0.226	S	C	.	.			trans	-97.7	105.5	175.9	175.4	0	0	0	0	110.8	E185 S324 N325 F326	E185-S322 PolarHBondContact OE1-N 2.96Å; S322-S324 VanDerWaalsContact C-N 3.28Å; S322-S324 PolarHBondContact O-N 2.96Å; S322-S324 PolarHBondContact OG-OG 2.92Å; S322-N325 PolarHBondContact O-N 2.88Å; S322-N325 VanDerWaalsContact OG-CB 3.28Å; S322-N325 WeakPolarHBondContact OG-CB 3.5Å; S322-N325 PolarHBondContact OG-N 3.18Å; S322-N325 VanDerWaalsContact OG-N 3.14Å; S322-F326 WeakPolarHBondContact O-CB 3.28Å; S322-F326 PolarHBondContact O-N 3.44Å
323	W	98.6	Very high	97.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-37.1	178.2	-73.1	98.4	0	0	0	112.4	I201 F219 M305 L308 F312 L314 F321 F326 T327 L352	I201-W323 HydrophobicContact CD1-CH2 3.83Å; I201-W323 HydrophobicContact CD1-CZ3 4.08Å; I201-W323 HydrophobicContact CG1-CH2 4.41Å; I201-W323 HydrophobicContact CG2-CH2 4.13Å; I201-W323 HydrophobicContact CG2-CZ3 3.86Å; F219-W323 HydrophobicContact CD1-CE3 4.08Å; F219-W323 AromaticContact CD1-CZ3 3.52Å; F219-W323 HydrophobicContact CD1-CZ3 3.52Å; F219-W323 AromaticContact CE1-CE3 3.59Å; F219-W323 HydrophobicContact CE1-CE3 3.59Å; F219-W323 AromaticContact CE1-CZ3 3.49Å; F219-W323 HydrophobicContact CE1-CZ3 3.49Å; F219-W323 VanDerWaalsContact CE1-CZ3 3.49Å; F219-W323 HydrophobicContact CG-CZ3 4.3Å; F219-W323 HydrophobicContact CZ-CE3 4.01Å; F219-W323 HydrophobicContact CZ-CZ3 4.29Å; M305-W323 HydrophobicContact SD-CB 3.81Å; L308-W323 HydrophobicContact CD1-CD2 4.45Å; L308-W323 HydrophobicContact CD1-CZ2 4.42Å; L308-W323 HydrophobicContact CD2-CB 4.18Å; L308-W323 HydrophobicContact CD2-CD2 3.65Å; L308-W323 HydrophobicContact CD2-CE3 3.55Å; L308-W323 HydrophobicContact CD2-CG 3.95Å; L308-W323 HydrophobicContact CD2-CZ3 4.16Å; L308-W323 HydrophobicContact CG-CD2 3.8Å; L308-W323 HydrophobicContact CG-CE3 4.16Å; L308-W323 HydrophobicContact CG-CG 3.97Å; F312-W323 HydrophobicContact CB-CZ2 4.32Å; F312-W323 PolarHBondContact O-NE1 3.33Å; L314-W323 HydrophobicContact CD1-CH2 4.4Å; L314-W323 HydrophobicContact CD1-CZ2 3.91Å; L314-W323 HydrophobicContact CG-CZ2 4.41Å; F321-W323 HydrophobicContact CD1-CD2 4.05Å; F321-W323 HydrophobicContact CD1-CG 4.19Å; F321-W323 AromaticContact CE1-CD2 3.88Å; F321-W323 HydrophobicContact CE1-CD2 3.88Å; F321-W323 AromaticContact CE1-CE3 3.89Å; F321-W323 HydrophobicContact CE1-CE3 3.89Å; F321-W323 HydrophobicContact CE1-CG 4.28Å; F321-W323 HydrophobicContact CE1-CZ3 4.27Å; W323-F326 HydrophobicContact CE3-CD1 4.32Å; W323-T327 VanDerWaalsContact O-CB 3.27Å; W323-T327 WeakPolarHBondContact O-CB 3.45Å; W323-T327 PolarHBondContact O-N 3.01Å; W323-T327 PolarHBondContact O-OG1 3.03Å; W323-L352 HydrophobicContact CH2-CD1 3.8Å; W323-L352 HydrophobicContact CH2-CD2 3.75Å; W323-L352 HydrophobicContact CH2-CG 4.39Å; W323-L352 HydrophobicContact CZ2-CD1 4.07Å; W323-L352 HydrophobicContact CZ2-CD2 4.28Å
324	S	97	Very high	97.3	Very high	29 Å²	29	38.9 Å²	38.9	20%	0.203	23%	0.231	C	C	.	.	H	α-helix	trans	-68.7	-41.1	176.3	53.7	0	0	0	0	111.7	S322 N328 N340	S322-S324 VanDerWaalsContact C-N 3.28Å; S322-S324 PolarHBondContact O-N 2.96Å; S322-S324 PolarHBondContact OG-OG 2.92Å; S324-N328 WeakPolarHBondContact O-CB 3.33Å; S324-N328 PolarHBondContact O-N 2.72Å; S324-N328 PolarHBondContact O-ND2 2.92Å; S324-N340 WeakPolarHBondContact CB-OD1 3.29Å
325	N	98.1	Very high	97.3	Very high	63 Å²	63	46.1 Å²	46.1	34%	0.337	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-52	173.1	-179.5	-81.9	0	0	0	110.8	E185 S322 T327 N328 E329	E185-N325 WeakPolarHBondContact CB-OD1 3.46Å; E185-N325 HydrophobicContact CG-CB 4.48Å; S322-N325 PolarHBondContact O-N 2.88Å; S322-N325 VanDerWaalsContact OG-CB 3.28Å; S322-N325 WeakPolarHBondContact OG-CB 3.5Å; S322-N325 PolarHBondContact OG-N 3.18Å; S322-N325 VanDerWaalsContact OG-N 3.14Å; N325-T327 VanDerWaalsContact C-N 3.29Å; N325-T327 PolarHBondContact O-N 2.79Å; N325-N328 CarbonylContact O-C 3.55Å; N325-N328 PolarHBondContact O-N 2.86Å; N325-E329 WeakPolarHBondContact O-CG 3.33Å; N325-E329 PolarHBondContact O-N 3.37Å; N325-E329 WeakPolarHBondContact OD1-CG 3.36Å
326	F	98.8	Very high	97.3	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-51.4	-48.3	177.5	170	-122.8	0	0	0	112.5	E185 I188 A189 I201 F203 F219 F321 S322 W323 N328 E329 I330	E185-F326 HydrophobicContact CB-CB 4.07Å; E185-F326 HydrophobicContact CG-CB 3.97Å; E185-F326 WeakPolarHBondContact O-CD2 3.46Å; I188-F326 HydrophobicContact CB-CE2 3.85Å; I188-F326 HydrophobicContact CG2-CE2 3.54Å; I188-F326 HydrophobicContact CG2-CZ 3.81Å; A189-F326 HydrophobicContact CB-CD2 4.11Å; A189-F326 HydrophobicContact CB-CE2 4.15Å; I201-F326 HydrophobicContact CG2-CE1 4.03Å; I201-F326 HydrophobicContact CG2-CZ 4.45Å; F203-F326 HydrophobicContact CB-CE1 4.02Å; F203-F326 HydrophobicContact CB-CZ 4.02Å; F203-F326 HydrophobicContact CD2-CE1 4.37Å; F219-F326 HydrophobicContact CE1-CD1 4.08Å; F219-F326 AromaticContact CE1-CE1 3.84Å; F219-F326 HydrophobicContact CE1-CE1 3.84Å; F321-F326 HydrophobicContact CE1-CB 3.8Å; F321-F326 HydrophobicContact CE1-CD1 4.06Å; F321-F326 HydrophobicContact CE1-CG 4.03Å; F321-F326 HydrophobicContact CE2-CB 4.38Å; F321-F326 HydrophobicContact CZ-CB 3.51Å; F321-F326 AromaticContact CZ-CD1 3.84Å; F321-F326 HydrophobicContact CZ-CD1 3.84Å; F321-F326 HydrophobicContact CZ-CD2 4.02Å; F321-F326 AromaticContact CZ-CG 3.51Å; F321-F326 HydrophobicContact CZ-CG 3.51Å; S322-F326 WeakPolarHBondContact O-CB 3.28Å; S322-F326 PolarHBondContact O-N 3.44Å; W323-F326 HydrophobicContact CE3-CD1 4.32Å; F326-N328 PolarHBondContact O-N 3.36Å; F326-E329 PolarHBondContact O-N 2.93Å; F326-I330 HydrophobicContact CD2-CD1 4.26Å; F326-I330 HydrophobicContact CE1-CD1 4.19Å; F326-I330 HydrophobicContact CE2-CD1 3.57Å; F326-I330 HydrophobicContact CE2-CG1 4.3Å; F326-I330 HydrophobicContact CZ-CD1 3.54Å; F326-I330 PolarHBondContact O-N 2.82Å
327	T	98.8	Very high	97.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-41.9	179.4	-59.3	0	0	0	0	111.7	F203 I217 M305 W323 N325 I330 M331 I338	F203-T327 HydrophobicContact CE2-CG2 3.74Å; F203-T327 HydrophobicContact CZ-CG2 4.16Å; I217-T327 HydrophobicContact CD1-CG2 3.82Å; M305-T327 HydrophobicContact CE-CG2 3.92Å; M305-T327 WeakPolarHBondContact CE-OG1 3.33Å; W323-T327 VanDerWaalsContact O-CB 3.27Å; W323-T327 WeakPolarHBondContact O-CB 3.45Å; W323-T327 PolarHBondContact O-N 3.01Å; W323-T327 PolarHBondContact O-OG1 3.03Å; N325-T327 VanDerWaalsContact C-N 3.29Å; N325-T327 PolarHBondContact O-N 2.79Å; T327-I330 PolarHBondContact O-N 3.43Å; T327-M331 HydrophobicContact CG2-CG 4.21Å; T327-M331 WeakPolarHBondContact O-CB 3.37Å; T327-M331 WeakPolarHBondContact O-CG 3.21Å; T327-M331 PolarHBondContact O-N 3.25Å; T327-I338 HydrophobicContact CG2-CB 4.01Å; T327-I338 HydrophobicContact CG2-CG1 3.87Å; T327-I338 HydrophobicContact CG2-CG2 3.83Å
328	N	98.6	Very high	97.7	Very high	36 Å²	36	44.9 Å²	44.9	19%	0.193	27%	0.266	C	S	.	.	H	α-helix	trans	-72.1	-33.1	177.9	-81.5	-70.1	0	0	0	113.1	S324 N325 F326 I330 M331 S332 I338	S324-N328 WeakPolarHBondContact O-CB 3.33Å; S324-N328 PolarHBondContact O-N 2.72Å; S324-N328 PolarHBondContact O-ND2 2.92Å; N325-N328 CarbonylContact O-C 3.55Å; N325-N328 PolarHBondContact O-N 2.86Å; F326-N328 PolarHBondContact O-N 3.36Å; N328-I330 PolarHBondContact O-N 2.73Å; N328-M331 PolarHBondContact O-N 3.32Å; N328-S332 WeakPolarHBondContact O-CB 3.44Å; N328-S332 PolarHBondContact O-N 3.34Å; N328-S332 PolarHBondContact O-OG 2.99Å; N328-I338 PolarHBondContact ND2-O 3.42Å; N328-I338 PolarHBondContact OD1-N 3.26Å
329	E	98.6	Very high	98	Very high	59 Å²	59	47.3 Å²	47.3	28%	0.276	26%	0.261	S	S	.	.	H	α-helix	trans	-59.4	-34.9	171.5	-69.3	-73.8	171.3	0	0	110.6	K186 A189 N325 F326 S332	K186-E329 WeakPolarHBondContact CE-OE1 3.29Å; K186-E329 HydrophobicContact CG-CG 4.18Å; A189-E329 HydrophobicContact CB-CB 3.57Å; N325-E329 WeakPolarHBondContact O-CG 3.33Å; N325-E329 PolarHBondContact O-N 3.37Å; N325-E329 WeakPolarHBondContact OD1-CG 3.36Å; F326-E329 PolarHBondContact O-N 2.93Å; E329-S332 PolarHBondContact O-OG 2.92Å
330	I	98.8	Very high	98.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-75.7	-56.3	172.9	-63.5	173.7	0	0	0	111.6	A189 N192 F203 F326 T327 N328 S332 T333 L523	A189-I330 HydrophobicContact CB-CD1 4.34Å; A189-I330 HydrophobicContact CB-CG1 3.52Å; N192-I330 HydrophobicContact CB-CD1 3.92Å; N192-I330 HydrophobicContact CB-CG1 4.36Å; F203-I330 HydrophobicContact CB-CD1 3.9Å; F203-I330 HydrophobicContact CD1-CD1 3.59Å; F203-I330 HydrophobicContact CD1-CG2 3.89Å; F203-I330 HydrophobicContact CD2-CD1 4.25Å; F203-I330 HydrophobicContact CE1-CB 4.28Å; F203-I330 HydrophobicContact CE1-CD1 4.18Å; F203-I330 HydrophobicContact CE1-CG2 3.57Å; F203-I330 HydrophobicContact CG-CD1 3.65Å; F203-I330 HydrophobicContact CZ-CG2 4.3Å; F326-I330 HydrophobicContact CD2-CD1 4.26Å; F326-I330 HydrophobicContact CE1-CD1 4.19Å; F326-I330 HydrophobicContact CE2-CD1 3.57Å; F326-I330 HydrophobicContact CE2-CG1 4.3Å; F326-I330 HydrophobicContact CZ-CD1 3.54Å; F326-I330 PolarHBondContact O-N 2.82Å; T327-I330 PolarHBondContact O-N 3.43Å; N328-I330 PolarHBondContact O-N 2.73Å; I330-S332 VanDerWaalsContact C-N 3.31Å; I330-S332 PolarHBondContact O-N 2.8Å; I330-T333 WeakPolarHBondContact O-CB 3.25Å; I330-T333 WeakPolarHBondContact O-CG2 3.41Å; I330-T333 PolarHBondContact O-N 3.03Å; I330-T333 PolarHBondContact O-OG1 2.85Å; I330-L523 HydrophobicContact CG2-CD1 3.78Å; I330-L523 HydrophobicContact CG2-CD2 3.88Å
331	M	98.8	Very high	98.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-73	-21.4	-169.2	-65	-54.5	-56.1	0	0	113.6	F203 V205 I217 T327 N328 T333 V334 N335 I336 I338 L523 L526	F203-M331 HydrophobicContact CE1-SD 3.95Å; F203-M331 HydrophobicContact CZ-CG 4.02Å; F203-M331 HydrophobicContact CZ-SD 3.77Å; V205-M331 HydrophobicContact CG2-CE 4.45Å; V205-M331 HydrophobicContact CG2-SD 4.2Å; I217-M331 HydrophobicContact CD1-CG 4.49Å; T327-M331 HydrophobicContact CG2-CG 4.21Å; T327-M331 WeakPolarHBondContact O-CB 3.37Å; T327-M331 WeakPolarHBondContact O-CG 3.21Å; T327-M331 PolarHBondContact O-N 3.25Å; N328-M331 PolarHBondContact O-N 3.32Å; M331-T333 PolarHBondContact O-N 3.05Å; M331-V334 HydrophobicContact CE-CG2 3.84Å; M331-V334 CarbonylContact O-C 2.99Å; M331-V334 VanDerWaalsContact O-CG2 3.23Å; M331-V334 WeakPolarHBondContact O-CG2 3.42Å; M331-V334 PolarHBondContact O-N 3.39Å; M331-V334 VanDerWaalsContact O-N 3.12Å; M331-N335 PolarHBondContact O-N 3.37Å; M331-I336 CarbonylContact C-O 3.29Å; M331-I336 VanDerWaalsContact C-O 3.29Å; M331-I336 HydrophobicContact CB-CB 4.28Å; M331-I336 VanDerWaalsContact CB-O 3.29Å; M331-I336 WeakPolarHBondContact CB-O 3.49Å; M331-I336 HydrophobicContact CE-CB 3.95Å; M331-I336 HydrophobicContact CE-CD1 3.71Å; M331-I336 HydrophobicContact CE-CG1 4.4Å; M331-I336 HydrophobicContact CE-CG2 4.11Å; M331-I336 PolarHBondContact O-N 2.94Å; M331-I338 HydrophobicContact CB-CG1 3.92Å; M331-I338 HydrophobicContact CG-CD1 4.3Å; M331-I338 HydrophobicContact CG-CG1 3.81Å; M331-L523 HydrophobicContact CE-CB 4.47Å; M331-L523 HydrophobicContact SD-CB 4.5Å; M331-L523 HydrophobicContact SD-CD2 3.93Å; M331-L526 HydrophobicContact CE-CB 4.04Å; M331-L526 HydrophobicContact CE-CD2 3.56Å; M331-L526 HydrophobicContact CE-CG 4.45Å; M331-L526 HydrophobicContact SD-CD2 4.4Å
332	S	98.1	Very high	98.1	Very high	62 Å²	62	48.4 Å²	48.4	43%	0.434	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-63.7	-25.5	172.5	62.9	0	0	0	0	112.9	N328 E329 I330 V334 N335	N328-S332 WeakPolarHBondContact O-CB 3.44Å; N328-S332 PolarHBondContact O-N 3.34Å; N328-S332 PolarHBondContact O-OG 2.99Å; E329-S332 PolarHBondContact O-OG 2.92Å; I330-S332 VanDerWaalsContact C-N 3.31Å; I330-S332 PolarHBondContact O-N 2.8Å; S332-V334 PolarHBondContact O-N 2.91Å; S332-V334 VanDerWaalsContact O-N 3.13Å; S332-N335 PolarHBondContact O-N 3.28Å
333	T	98.3	Very high	98.1	Very high	68 Å²	68	51.3 Å²	51.3	42%	0.417	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-62.5	-19.2	174.5	66.8	0	0	0	0	113.4	I330 M331	I330-T333 WeakPolarHBondContact O-CB 3.25Å; I330-T333 WeakPolarHBondContact O-CG2 3.41Å; I330-T333 PolarHBondContact O-N 3.03Å; I330-T333 PolarHBondContact O-OG1 2.85Å; M331-T333 PolarHBondContact O-N 3.05Å
334	V	98.3	Very high	98.1	Very high	14 Å²	14	51.3 Å²	51.3	9%	0.085	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-118.8	21.1	174.1	-63.6	0	0	0	0	112.2	M331 S332 I336 L523 K524	M331-V334 HydrophobicContact CE-CG2 3.84Å; M331-V334 CarbonylContact O-C 2.99Å; M331-V334 VanDerWaalsContact O-CG2 3.23Å; M331-V334 WeakPolarHBondContact O-CG2 3.42Å; M331-V334 PolarHBondContact O-N 3.39Å; M331-V334 VanDerWaalsContact O-N 3.12Å; S332-V334 PolarHBondContact O-N 2.91Å; S332-V334 VanDerWaalsContact O-N 3.13Å; V334-I336 VanDerWaalsContact C-N 3.26Å; V334-I336 HydrophobicContact CG2-CB 4.48Å; V334-I336 HydrophobicContact CG2-CD1 3.98Å; V334-I336 HydrophobicContact CG2-CG1 4.26Å; V334-I336 PolarHBondContact O-N 3.46Å; V334-L523 HydrophobicContact CB-CB 4.49Å; V334-L523 HydrophobicContact CG1-CB 3.9Å; V334-L523 HydrophobicContact CG2-CB 3.82Å; V334-K524 HydrophobicContact CB-CG 3.92Å; V334-K524 HydrophobicContact CG1-CG 3.84Å
335	N	98.3	Very high	98.2	Very high	156 Å²	156	50 Å²	50	83%	0.834	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	33.1	176.8	-55.2	-56.1	0	0	0	114.5	M331 S332	M331-N335 PolarHBondContact O-N 3.37Å; S332-N335 PolarHBondContact O-N 3.28Å
336	I	98.4	Very high	98.2	Very high	28 Å²	28	47 Å²	47	14%	0.144	25%	0.245	C	C	.	.			trans	-107.9	123.5	174.2	-64.9	169.4	0	0	0	108.9	M331 V334 I338 L526 R527	M331-I336 CarbonylContact C-O 3.29Å; M331-I336 VanDerWaalsContact C-O 3.29Å; M331-I336 HydrophobicContact CB-CB 4.28Å; M331-I336 VanDerWaalsContact CB-O 3.29Å; M331-I336 WeakPolarHBondContact CB-O 3.49Å; M331-I336 HydrophobicContact CE-CB 3.95Å; M331-I336 HydrophobicContact CE-CD1 3.71Å; M331-I336 HydrophobicContact CE-CG1 4.4Å; M331-I336 HydrophobicContact CE-CG2 4.11Å; M331-I336 PolarHBondContact O-N 2.94Å; V334-I336 VanDerWaalsContact C-N 3.26Å; V334-I336 HydrophobicContact CG2-CB 4.48Å; V334-I336 HydrophobicContact CG2-CD1 3.98Å; V334-I336 HydrophobicContact CG2-CG1 4.26Å; V334-I336 PolarHBondContact O-N 3.46Å; I336-I338 HydrophobicContact CG2-CD1 3.71Å; I336-I338 HydrophobicContact CG2-CG1 4.46Å; I336-L526 HydrophobicContact CD1-CB 4.32Å; I336-L526 HydrophobicContact CG2-CD2 4.28Å; I336-R527 HydrophobicContact CD1-CG 4.32Å
337	N	97.6	Very high	98.2	Very high	107 Å²	107	48.4 Å²	48.4	57%	0.572	25%	0.25	S	S	*	.			trans	-95.1	132.9	174.7	-176.5	84.1	0	0	0	110.6	Q339	N337-Q339 PolarHBondContact ND2-NE2 2.89Å
338	I	98.1	Very high	98.2	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	25%	0.251	C	S	.	.			trans	-112.4	127.9	-175.8	-58.1	-59.4	0	0	0	110	I217 M305 T327 N328 M331 I336 E342 L526	I217-I338 HydrophobicContact CD1-CD1 4.08Å; I217-I338 HydrophobicContact CD1-CG1 4.32Å; M305-I338 HydrophobicContact CE-CG2 4.38Å; T327-I338 HydrophobicContact CG2-CB 4.01Å; T327-I338 HydrophobicContact CG2-CG1 3.87Å; T327-I338 HydrophobicContact CG2-CG2 3.83Å; N328-I338 PolarHBondContact ND2-O 3.42Å; N328-I338 PolarHBondContact OD1-N 3.26Å; M331-I338 HydrophobicContact CB-CG1 3.92Å; M331-I338 HydrophobicContact CG-CD1 4.3Å; M331-I338 HydrophobicContact CG-CG1 3.81Å; I336-I338 HydrophobicContact CG2-CD1 3.71Å; I336-I338 HydrophobicContact CG2-CG1 4.46Å; I338-E342 HydrophobicContact CD1-CG 4.5Å; I338-E342 HydrophobicContact CG2-CB 3.56Å; I338-E342 HydrophobicContact CG2-CG 3.66Å; I338-L526 HydrophobicContact CD1-CD2 3.75Å
339	Q	96.8	Very high	98.2	Very high	112 Å²	112	48.4 Å²	48.4	52%	0.523	25%	0.252	S	S	.	.			trans	-94.9	169.1	179	-57.7	-64.4	-14.3	0	0	111.3	N337 E341 E342	N337-Q339 PolarHBondContact ND2-NE2 2.89Å; Q339-E341 WeakPolarHBondContact CB-OE2 3.48Å; Q339-E341 PolarHBondContact O-N 2.88Å; Q339-E342 VanDerWaalsContact O-CB 3.24Å; Q339-E342 WeakPolarHBondContact O-CB 3.19Å; Q339-E342 PolarHBondContact O-N 3.42Å
340	N	95.8	Very high	98.2	Very high	77 Å²	77	51 Å²	51	41%	0.412	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.2	-179.8	-74.4	-24.2	0	0	0	113	M305 A306 S324 E342	M305-N340 WeakPolarHBondContact CB-O 3.29Å; M305-N340 PolarHBondContact N-O 2.97Å; A306-N340 HydrophobicContact CB-CB 4.39Å; A306-N340 PolarHBondContact N-O 3.13Å; S324-N340 WeakPolarHBondContact CB-OD1 3.29Å; N340-E342 VanDerWaalsContact C-N 3.29Å
341	E	97.8	Very high	98.2	Very high	135 Å²	135	51 Å²	51	63%	0.631	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.1	176.3	-56.4	70.6	-149	0	0	112.5	Q339 E343	Q339-E341 WeakPolarHBondContact CB-OE2 3.48Å; Q339-E341 PolarHBondContact O-N 2.88Å; E341-E343 PolarHBondContact O-N 3.25Å
342	E	98.4	Very high	98.2	Very high	29 Å²	29	51 Å²	51	14%	0.136	27%	0.265	C	S	.	.			trans	-55.3	129.3	176.8	-174.8	71	-161.5	0	0	110.6	I217 T304 M305 I338 Q339 N340 V344 R527	I217-E342 HydrophobicContact CD1-CG 4.35Å; T304-E342 CarbonylContact C-O 3.45Å; T304-E342 VanDerWaalsContact CA-O 3.28Å; T304-E342 WeakPolarHBondContact CA-O 3.41Å; M305-E342 HydrophobicContact CB-CB 4.48Å; M305-E342 PolarHBondContact N-O 2.9Å; I338-E342 HydrophobicContact CD1-CG 4.5Å; I338-E342 HydrophobicContact CG2-CB 3.56Å; I338-E342 HydrophobicContact CG2-CG 3.66Å; Q339-E342 VanDerWaalsContact O-CB 3.24Å; Q339-E342 WeakPolarHBondContact O-CB 3.19Å; Q339-E342 PolarHBondContact O-N 3.42Å; N340-E342 VanDerWaalsContact C-N 3.29Å; E342-V344 HydrophobicContact CG-CG1 4.25Å; E342-R527 IonicContact OE1-CZ 3.51Å; E342-R527 VanDerWaalsContact OE1-CZ 3.31Å; E342-R527 IonicContact OE1-NH1 2.79Å; E342-R527 PolarHBondContact OE1-NH1 3.15Å; E342-R527 IonicContact OE1-NH2 3.74Å; E342-R527 PolarHBondContact OE1-NH2 3.14Å; E342-R527 IonicContact OE2-CZ 3.43Å; E342-R527 IonicContact OE2-NH1 3.66Å; E342-R527 IonicContact OE2-NH2 3.97Å; E342-R527 PolarHBondContact OE2-NH2 3.17Å
343	E	98.6	Very high	98.2	Very high	99 Å²	99	52 Å²	52	46%	0.463	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	134.4	173.1	-58.3	-171.2	120	0	0	110.6	I216 K302 M303 E341	I216-E343 HydrophobicContact CD1-CB 4.1Å; I216-E343 WeakPolarHBondContact CD1-O 3.49Å; I216-E343 WeakPolarHBondContact CG1-O 3.31Å; K302-E343 VanDerWaalsContact CE-CB 3.48Å; K302-E343 VanDerWaalsContact CE-OE1 3.31Å; K302-E343 WeakPolarHBondContact CE-OE1 3.42Å; K302-E343 WeakPolarHBondContact CE-OE2 3.49Å; K302-E343 IonicContact NZ-OE1 3.04Å; K302-E343 IonicContact NZ-OE2 3.72Å; K302-E343 PolarHBondContact NZ-OE2 3.21Å; M303-E343 WeakPolarHBondContact O-CA 3.29Å; E341-E343 PolarHBondContact O-N 3.25Å
344	V	98.8	Very high	98.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.5	179.5	-55.2	0	0	0	0	110.1	I217 F219 K302 M303 M305 L308 E342 V346	I217-V344 HydrophobicContact CB-CB 4.43Å; I217-V344 HydrophobicContact CB-CG1 3.92Å; I217-V344 HydrophobicContact CG2-CB 4.3Å; I217-V344 HydrophobicContact CG2-CG1 3.89Å; I217-V344 WeakPolarHBondContact O-CA 3.49Å; F219-V344 HydrophobicContact CD2-CB 4.15Å; F219-V344 HydrophobicContact CD2-CG2 4.15Å; F219-V344 HydrophobicContact CE2-CB 3.97Å; F219-V344 HydrophobicContact CE2-CG1 4.01Å; F219-V344 HydrophobicContact CE2-CG2 4.05Å; K302-V344 WeakPolarHBondContact CA-O 3.23Å; M303-V344 HydrophobicContact CG-CG2 4.14Å; M303-V344 PolarHBondContact N-O 2.87Å; M303-V344 PolarHBondContact O-N 2.81Å; M303-V344 VanDerWaalsContact O-O 3.12Å; M305-V344 HydrophobicContact CE-CG1 3.55Å; L308-V344 HydrophobicContact CD2-CG2 4.3Å; E342-V344 HydrophobicContact CG-CG1 4.25Å; V344-V346 HydrophobicContact CG2-CG2 4.38Å
345	V	98.9	Very high	98.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.8	174.2	178.7	0	0	0	0	109.1	I216 I217 H218 F219 Y300 Y347	I216-V345 HydrophobicContact CD1-CG2 3.86Å; I216-V345 HydrophobicContact CG1-CG2 4.28Å; I216-V345 HydrophobicContact CG2-CG2 3.82Å; I217-V345 PolarHBondContact O-N 2.91Å; H218-V345 CarbonylContact C-O 3.48Å; H218-V345 VanDerWaalsContact CA-O 3.29Å; H218-V345 WeakPolarHBondContact CA-O 3.44Å; F219-V345 PolarHBondContact N-O 2.88Å; Y300-V345 HydrophobicContact CD2-CG1 3.86Å; Y300-V345 HydrophobicContact CD2-CG2 4.26Å; Y300-V345 HydrophobicContact CE2-CG1 4.08Å; Y300-V345 HydrophobicContact CE2-CG2 3.61Å; Y300-V345 HydrophobicContact CG-CG1 4.38Å; V345-Y347 HydrophobicContact CG1-CD1 3.8Å; V345-Y347 HydrophobicContact CG1-CE1 3.58Å
346	V	98.9	Very high	98.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	105.5	178.2	-176.4	0	0	0	0	109.1	F219 N301 M303 L308 V344 P349 L352	F219-V346 HydrophobicContact CB-CG2 4.45Å; F219-V346 CarbonylContact O-C 3.33Å; F219-V346 WeakPolarHBondContact O-CA 3.24Å; N301-V346 WeakPolarHBondContact CB-O 3.34Å; N301-V346 PolarHBondContact ND2-O 3.39Å; N301-V346 PolarHBondContact O-N 2.84Å; M303-V346 HydrophobicContact CE-CB 3.99Å; M303-V346 HydrophobicContact CE-CG2 3.78Å; M303-V346 HydrophobicContact CG-CG2 4.18Å; M303-V346 HydrophobicContact SD-CG2 3.87Å; L308-V346 HydrophobicContact CD1-CG2 3.79Å; V344-V346 HydrophobicContact CG2-CG2 4.38Å; V346-P349 HydrophobicContact CG1-CB 4.33Å; V346-L352 HydrophobicContact CG1-CD1 3.86Å
347	Y	98.8	Very high	98.3	Very high	31 Å²	31	51.1 Å²	51.1	12%	0.122	26%	0.256	C	S	.	.	S	Bend	trans	-79.6	-20.7	178.4	-69.5	-36.9	0	0	0	113.5	F204 D209 H218 F219 D220 L299 V345 P349	F204-Y347 HydrophobicContact CZ-CD2 4.42Å; F204-Y347 HydrophobicContact CZ-CE2 4.02Å; D209-Y347 PolarHBondContact OD2-OH 3.28Å; H218-Y347 HydrophobicContact CB-CE2 4.49Å; H218-Y347 AromaticContact CD2-CE2 3.4Å; H218-Y347 VanDerWaalsContact CD2-CE2 3.4Å; H218-Y347 WeakPolarHBondContact CD2-CE2 3.39Å; H218-Y347 AromaticContact CD2-CZ 3.42Å; H218-Y347 VanDerWaalsContact CD2-CZ 3.42Å; H218-Y347 PolarHBondContact CD2-OH 3.09Å; H218-Y347 AromaticContact NE2-CZ 3.86Å; H218-Y347 PolarHBondContact NE2-OH 3.43Å; F219-Y347 PolarHBondContact O-N 3.11Å; D220-Y347 HydrophobicContact CB-CD2 4.32Å; L299-Y347 HydrophobicContact CB-CD1 4.48Å; L299-Y347 WeakPolarHBondContact CD1-O 3.33Å; L299-Y347 HydrophobicContact CD2-CD1 4.05Å; L299-Y347 HydrophobicContact CD2-CE1 4.48Å; L299-Y347 HydrophobicContact CD2-CG 4.24Å; L299-Y347 HydrophobicContact CG-CD1 3.74Å; L299-Y347 HydrophobicContact CG-CE1 4.48Å; L299-Y347 HydrophobicContact CG-CG 4.1Å; L299-Y347 WeakPolarHBondContact O-CD1 3.31Å; V345-Y347 HydrophobicContact CG1-CD1 3.8Å; V345-Y347 HydrophobicContact CG1-CE1 3.58Å; Y347-P349 VanDerWaalsContact C-CD 3.44Å; Y347-P349 WeakPolarHBondContact O-CD 3.39Å
348	A	98.5	Very high	98.3	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	23%	0.232	C	C	.	.			trans	-127.8	60.6	-175.7	0	0	0	0	0	113.6	D220 Q221 E350 Y351 L352	D220-A348 WeakPolarHBondContact OD1-CB 3.35Å; Q221-A348 HydrophobicContact CB-CB 4.08Å; A348-E350 VanDerWaalsContact C-N 3.35Å; A348-E350 PolarHBondContact O-N 3.28Å; A348-Y351 HydrophobicContact CB-CD1 4.35Å; A348-Y351 HydrophobicContact CB-CG 4.37Å; A348-Y351 WeakPolarHBondContact O-CB 3.29Å; A348-Y351 PolarHBondContact O-N 2.99Å; A348-L352 WeakPolarHBondContact O-CG 3.49Å; A348-L352 PolarHBondContact O-N 2.74Å; A348-L352 VanDerWaalsContact O-N 3.11Å
349	P	98.4	Very high	98.3	Very high	34 Å²	34	46.5 Å²	46.5	22%	0.221	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-40.2	-178.9	25.6	-34.2	0	0	0	112.7	F312 V346 Y347 Y351 L352 T353	F312-P349 HydrophobicContact CE1-CB 3.79Å; F312-P349 VanDerWaalsContact CE1-O 3.24Å; F312-P349 WeakPolarHBondContact CE1-O 3.44Å; F312-P349 HydrophobicContact CE2-CB 4.49Å; F312-P349 HydrophobicContact CZ-CB 3.47Å; F312-P349 VanDerWaalsContact CZ-CB 3.47Å; V346-P349 HydrophobicContact CG1-CB 4.33Å; Y347-P349 VanDerWaalsContact C-CD 3.44Å; Y347-P349 WeakPolarHBondContact O-CD 3.39Å; P349-Y351 VanDerWaalsContact C-N 3.34Å; P349-Y351 PolarHBondContact O-N 2.98Å; P349-L352 PolarHBondContact O-N 2.75Å; P349-T353 PolarHBondContact O-N 2.9Å; P349-T353 VanDerWaalsContact O-N 3.09Å; P349-T353 PolarHBondContact O-OG1 3.42Å
350	E	98.4	Very high	98.4	Very high	113 Å²	113	44.8 Å²	44.8	53%	0.528	23%	0.229	S	C	.	.	H	α-helix	trans	-64.1	-39.6	175.8	-73.7	-167.9	-152.7	0	0	112.6	A348 T353 K354	A348-E350 VanDerWaalsContact C-N 3.35Å; A348-E350 PolarHBondContact O-N 3.28Å; E350-T353 WeakPolarHBondContact O-CB 3.5Å; E350-T353 PolarHBondContact O-N 3.17Å; E350-K354 WeakPolarHBondContact O-CG 3.48Å; E350-K354 PolarHBondContact O-N 3.35Å; E350-K354 IonicContact OE2-NZ 3.93Å; E350-K354 PolarHBondContact OE2-NZ 3.29Å
351	Y	98.8	Very high	98.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-50.2	177	168.1	-106.8	0	0	0	110.4	L200 Q221 P222 I283 A286 T287 A348 P349 T353 K354 L355	L200-Y351 WeakPolarHBondContact O-CE1 3.39Å; L200-Y351 PolarHBondContact O-OH 3.41Å; Q221-Y351 HydrophobicContact CB-CD1 3.85Å; Q221-Y351 HydrophobicContact CB-CD2 4.19Å; Q221-Y351 HydrophobicContact CB-CE1 4.22Å; Q221-Y351 HydrophobicContact CB-CG 3.84Å; P222-Y351 VanDerWaalsContact CD-CZ 3.49Å; P222-Y351 WeakPolarHBondContact CD-OH 3.39Å; I283-Y351 HydrophobicContact CG2-CE2 4.26Å; A286-Y351 HydrophobicContact CB-CD2 3.93Å; A286-Y351 HydrophobicContact CB-CE2 4.07Å; T287-Y351 HydrophobicContact CG2-CD2 4.27Å; T287-Y351 HydrophobicContact CG2-CE2 4.15Å; A348-Y351 HydrophobicContact CB-CD1 4.35Å; A348-Y351 HydrophobicContact CB-CG 4.37Å; A348-Y351 WeakPolarHBondContact O-CB 3.29Å; A348-Y351 PolarHBondContact O-N 2.99Å; P349-Y351 VanDerWaalsContact C-N 3.34Å; P349-Y351 PolarHBondContact O-N 2.98Å; Y351-T353 PolarHBondContact O-N 3.17Å; Y351-K354 CarbonylContact O-C 3.45Å; Y351-K354 PolarHBondContact O-N 3.42Å; Y351-K354 VanDerWaalsContact O-N 3.11Å; Y351-L355 HydrophobicContact CE1-CD2 3.87Å; Y351-L355 HydrophobicContact CE2-CD1 4.32Å; Y351-L355 VanDerWaalsContact O-CB 3.27Å; Y351-L355 WeakPolarHBondContact O-CB 3.14Å; Y351-L355 PolarHBondContact O-N 3.04Å
352	L	98.8	Very high	98.5	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-59.5	-35.6	178.2	-64.1	-176.9	0	0	0	112	L308 F312 W323 V346 A348 P349 L355 K356	L308-L352 HydrophobicContact CD1-CD1 4.09Å; F312-L352 HydrophobicContact CB-CB 4.14Å; F312-L352 HydrophobicContact CB-CD1 4.35Å; F312-L352 HydrophobicContact CD1-CB 3.85Å; F312-L352 HydrophobicContact CD2-CD1 4.41Å; F312-L352 HydrophobicContact CG-CB 4.08Å; F312-L352 HydrophobicContact CG-CD1 4.19Å; W323-L352 HydrophobicContact CH2-CD1 3.8Å; W323-L352 HydrophobicContact CH2-CD2 3.75Å; W323-L352 HydrophobicContact CH2-CG 4.39Å; W323-L352 HydrophobicContact CZ2-CD1 4.07Å; W323-L352 HydrophobicContact CZ2-CD2 4.28Å; V346-L352 HydrophobicContact CG1-CD1 3.86Å; A348-L352 WeakPolarHBondContact O-CG 3.49Å; A348-L352 PolarHBondContact O-N 2.74Å; A348-L352 VanDerWaalsContact O-N 3.11Å; P349-L352 PolarHBondContact O-N 2.75Å; L352-L355 HydrophobicContact CD2-CD2 4.49Å; L352-L355 PolarHBondContact O-N 3.39Å; L352-K356 PolarHBondContact O-N 3.27Å
353	T	98.6	Very high	98.5	Very high	83 Å²	83	42.6 Å²	42.6	51%	0.509	22%	0.218	S	C	.	.	H	α-helix	trans	-65.8	-46.9	174.3	-55.5	0	0	0	0	112	P349 E350 Y351 L355 K356 P357	P349-T353 PolarHBondContact O-N 2.9Å; P349-T353 VanDerWaalsContact O-N 3.09Å; P349-T353 PolarHBondContact O-OG1 3.42Å; E350-T353 WeakPolarHBondContact O-CB 3.5Å; E350-T353 PolarHBondContact O-N 3.17Å; Y351-T353 PolarHBondContact O-N 3.17Å; T353-L355 VanDerWaalsContact C-N 3.27Å; T353-L355 PolarHBondContact O-N 3.3Å; T353-K356 PolarHBondContact O-N 2.76Å; T353-P357 WeakPolarHBondContact O-CD 3.47Å
354	K	98.8	Very high	98.5	Very high	85 Å²	85	38.6 Å²	38.6	37%	0.37	20%	0.201	S	C	.	.	H	α-helix	trans	-68.1	-27	177.6	-69.5	166.3	-168.8	162	0	112.2	A286 E350 Y351 P357 I358	A286-K354 HydrophobicContact CB-CB 3.8Å; E350-K354 WeakPolarHBondContact O-CG 3.48Å; E350-K354 PolarHBondContact O-N 3.35Å; E350-K354 IonicContact OE2-NZ 3.93Å; E350-K354 PolarHBondContact OE2-NZ 3.29Å; Y351-K354 CarbonylContact O-C 3.45Å; Y351-K354 PolarHBondContact O-N 3.42Å; Y351-K354 VanDerWaalsContact O-N 3.11Å; K354-P357 VanDerWaalsContact O-CD 3.3Å; K354-P357 WeakPolarHBondContact O-CD 3.43Å; K354-P357 WeakPolarHBondContact O-CG 3.42Å; K354-I358 WeakPolarHBondContact O-CD1 3.43Å; K354-I358 WeakPolarHBondContact O-CG1 3.37Å
355	L	98.6	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.7	-32.9	-179.8	-168.1	62.5	0	0	0	112.4	I201 I283 L314 Y351 L352 T353 I358 L359	I201-L355 HydrophobicContact CG1-CD2 4.23Å; I283-L355 HydrophobicContact CG1-CD1 4.45Å; L314-L355 HydrophobicContact CD1-CD2 4.34Å; L314-L355 HydrophobicContact CD2-CB 4.33Å; L314-L355 HydrophobicContact CD2-CG 4.5Å; Y351-L355 HydrophobicContact CE1-CD2 3.87Å; Y351-L355 HydrophobicContact CE2-CD1 4.32Å; Y351-L355 VanDerWaalsContact O-CB 3.27Å; Y351-L355 WeakPolarHBondContact O-CB 3.14Å; Y351-L355 PolarHBondContact O-N 3.04Å; L352-L355 HydrophobicContact CD2-CD2 4.49Å; L352-L355 PolarHBondContact O-N 3.39Å; T353-L355 VanDerWaalsContact C-N 3.27Å; T353-L355 PolarHBondContact O-N 3.3Å; L355-I358 WeakPolarHBondContact O-CB 3.12Å; L355-I358 PolarHBondContact O-N 3.4Å; L355-I358 VanDerWaalsContact O-N 3.09Å; L355-L359 HydrophobicContact CD1-CD1 4.1Å; L355-L359 HydrophobicContact CD1-CD2 3.97Å; L355-L359 HydrophobicContact CD1-CG 3.86Å; L355-L359 HydrophobicContact CD2-CD1 3.93Å; L355-L359 HydrophobicContact CG-CD1 3.64Å; L355-L359 HydrophobicContact CG-CD2 4.41Å; L355-L359 HydrophobicContact CG-CG 3.81Å; L355-L359 PolarHBondContact O-N 3.14Å
356	K	98	Very high	98.5	Very high	91 Å²	91	41.4 Å²	41.4	40%	0.396	21%	0.213	S	C	.	.	H	α-helix	trans	-50.8	-58.6	-180	-178.4	-176.4	-174	170.1	0	113.6	S313 L314 L352 T353 I358	S313-K356 VanDerWaalsContact O-CD 3.23Å; S313-K356 WeakPolarHBondContact O-CD 3.41Å; S313-K356 WeakPolarHBondContact O-CG 2.99Å; S313-K356 WeakPolarHBondContact OG-CE 3.4Å; S313-K356 PolarHBondContact OG-NZ 2.96Å; L314-K356 HydrophobicContact CD2-CB 3.89Å; L352-K356 PolarHBondContact O-N 3.27Å; T353-K356 PolarHBondContact O-N 2.76Å; K356-I358 PolarHBondContact O-N 3.41Å
357	P	98.3	Very high	98.5	Very high	71 Å²	71	41.4 Å²	41.4	46%	0.461	21%	0.213	S	C	.	.	H	α-helix	trans	-71.6	-16.1	-180	29.8	-38.2	0	0	0	113.7	T353 K354 T360 K361	T353-P357 WeakPolarHBondContact O-CD 3.47Å; K354-P357 VanDerWaalsContact O-CD 3.3Å; K354-P357 WeakPolarHBondContact O-CD 3.43Å; K354-P357 WeakPolarHBondContact O-CG 3.42Å; P357-T360 PolarHBondContact O-OG1 2.86Å; P357-T360 VanDerWaalsContact O-OG1 3.13Å; P357-K361 WeakPolarHBondContact O-CE 3.31Å
358	I	98.6	Very high	98.5	Very high	12 Å²	12	39.9 Å²	39.9	6%	0.062	21%	0.207	C	C	.	.	H	α-helix	trans	-74.1	-54.9	176.6	-65	169.5	0	0	0	108.8	L279 E282 A286 K354 L355 K356 T360 K361 Y362	L279-I358 HydrophobicContact CD1-CG2 4.31Å; E282-I358 HydrophobicContact CB-CD1 4.14Å; E282-I358 HydrophobicContact CB-CG1 4.3Å; E282-I358 HydrophobicContact CB-CG2 3.88Å; E282-I358 WeakPolarHBondContact O-CD1 3.3Å; A286-I358 HydrophobicContact CB-CD1 3.72Å; K354-I358 WeakPolarHBondContact O-CD1 3.43Å; K354-I358 WeakPolarHBondContact O-CG1 3.37Å; L355-I358 WeakPolarHBondContact O-CB 3.12Å; L355-I358 PolarHBondContact O-N 3.4Å; L355-I358 VanDerWaalsContact O-N 3.09Å; K356-I358 PolarHBondContact O-N 3.41Å; I358-T360 PolarHBondContact O-N 2.94Å; I358-T360 VanDerWaalsContact O-N 3.17Å; I358-K361 WeakPolarHBondContact O-CB 3.45Å; I358-K361 PolarHBondContact O-N 3.34Å; I358-Y362 HydrophobicContact CG2-CD2 4.4Å; I358-Y362 HydrophobicContact CG2-CE2 4.09Å; I358-Y362 VanDerWaalsContact O-CD2 3.25Å; I358-Y362 WeakPolarHBondContact O-CD2 3.46Å
359	L	98.1	Very high	98.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-21.8	-171.5	-61.4	-177.7	0	0	0	114	L314 I316 L355 K361 Y362 L367	L314-L359 HydrophobicContact CD1-CD1 4.43Å; I316-L359 HydrophobicContact CD1-CD1 3.57Å; I316-L359 HydrophobicContact CG1-CB 4.09Å; I316-L359 HydrophobicContact CG1-CD1 3.85Å; L355-L359 HydrophobicContact CD1-CD1 4.1Å; L355-L359 HydrophobicContact CD1-CD2 3.97Å; L355-L359 HydrophobicContact CD1-CG 3.86Å; L355-L359 HydrophobicContact CD2-CD1 3.93Å; L355-L359 HydrophobicContact CG-CD1 3.64Å; L355-L359 HydrophobicContact CG-CD2 4.41Å; L355-L359 HydrophobicContact CG-CG 3.81Å; L355-L359 PolarHBondContact O-N 3.14Å; L359-K361 PolarHBondContact O-N 3.21Å; L359-Y362 PolarHBondContact O-N 3.36Å; L359-L367 HydrophobicContact CD2-CD2 3.75Å
360	T	97.8	Very high	98.6	Very high	77 Å²	77	38.6 Å²	38.6	47%	0.472	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.7	175	55.3	0	0	0	0	113.6	E315 P357 I358	E315-T360 HydrophobicContact CB-CG2 4Å; E315-T360 HydrophobicContact CG-CG2 4.5Å; E315-T360 WeakPolarHBondContact O-CG2 3.42Å; P357-T360 PolarHBondContact O-OG1 2.86Å; P357-T360 VanDerWaalsContact O-OG1 3.13Å; I358-T360 PolarHBondContact O-N 2.94Å; I358-T360 VanDerWaalsContact O-N 3.17Å
361	K	98.1	Very high	98.6	Very high	126 Å²	126	33.2 Å²	33.2	55%	0.548	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-17.8	179.4	-54.9	173.3	-165.6	171.6	0	113.2	E282 P357 I358 L359	E282-K361 IonicContact OE1-NZ 3.52Å; E282-K361 IonicContact OE2-NZ 2.8Å; E282-K361 PolarHBondContact OE2-NZ 2.87Å; P357-K361 WeakPolarHBondContact O-CE 3.31Å; I358-K361 WeakPolarHBondContact O-CB 3.45Å; I358-K361 PolarHBondContact O-N 3.34Å; L359-K361 PolarHBondContact O-N 3.21Å
362	Y	98.6	Very high	98.6	Very high	21 Å²	21	33.2 Å²	33.2	8%	0.082	17%	0.173	C	C	.	.	S	Bend	trans	-113.6	140.9	-168	-67	-85.7	0	0	0	111.4	L279 E282 I358 L359 D366	L279-Y362 WeakPolarHBondContact CA-OH 3.41Å; L279-Y362 HydrophobicContact CB-CD1 4.13Å; L279-Y362 HydrophobicContact CB-CE1 3.64Å; L279-Y362 HydrophobicContact CB-CE2 4.48Å; L279-Y362 HydrophobicContact CD1-CD1 4.11Å; L279-Y362 HydrophobicContact CD1-CD2 3.58Å; L279-Y362 HydrophobicContact CD1-CE1 4.11Å; L279-Y362 HydrophobicContact CD1-CE2 3.61Å; L279-Y362 HydrophobicContact CD1-CG 3.85Å; L279-Y362 HydrophobicContact CD2-CD1 4.45Å; L279-Y362 HydrophobicContact CG-CD1 4.45Å; L279-Y362 HydrophobicContact CG-CE1 4.35Å; E282-Y362 WeakPolarHBondContact OE1-CE2 3.22Å; E282-Y362 PolarHBondContact OE1-OH 2.89Å; I358-Y362 HydrophobicContact CG2-CD2 4.4Å; I358-Y362 HydrophobicContact CG2-CE2 4.09Å; I358-Y362 VanDerWaalsContact O-CD2 3.25Å; I358-Y362 WeakPolarHBondContact O-CD2 3.46Å; L359-Y362 PolarHBondContact O-N 3.36Å; Y362-D366 HydrophobicContact CD1-CB 3.87Å; Y362-D366 HydrophobicContact CG-CB 4.44Å
363	S	98.6	Very high	98.6	Very high	47 Å²	47	33.1 Å²	33.1	33%	0.329	17%	0.172	S	C	.	.			trans	-79.4	164.2	176.5	69.1	0	0	0	0	111.7	R365 D366 L367	S363-R365 PolarHBondContact O-N 2.77Å; S363-R365 VanDerWaalsContact O-N 3.17Å; S363-R365 PolarHBondContact OG-N 3.06Å; S363-D366 WeakPolarHBondContact CB-OD2 3.41Å; S363-D366 PolarHBondContact N-OD2 2.89Å; S363-D366 PolarHBondContact O-N 3.46Å; S363-D366 VanDerWaalsContact O-N 3.07Å; S363-D366 PolarHBondContact OG-N 3.01Å; S363-D366 PolarHBondContact OG-OD2 3.1Å; S363-L367 WeakPolarHBondContact O-CG 3.49Å; S363-L367 PolarHBondContact O-N 2.99Å; S363-L367 VanDerWaalsContact O-N 3.09Å
364	P	98.6	Very high	98.6	Very high	16 Å²	16	30.1 Å²	30.1	10%	0.104	15%	0.152	C	C	.	.	H	α-helix	trans	-47.5	-40.4	167.8	-31.9	37.1	0	0	0	113.9	W174 W182 N317 L367 Q368	W174-P364 HydrophobicContact CH2-CB 3.94Å; W174-P364 HydrophobicContact CZ3-CB 4.02Å; W182-P364 HydrophobicContact CD2-CB 3.74Å; W182-P364 HydrophobicContact CD2-CG 4.4Å; W182-P364 HydrophobicContact CE3-CB 3.6Å; W182-P364 HydrophobicContact CE3-CG 3.76Å; W182-P364 HydrophobicContact CG-CB 4.31Å; W182-P364 HydrophobicContact CH2-CB 4.27Å; W182-P364 HydrophobicContact CZ2-CB 4.39Å; W182-P364 HydrophobicContact CZ3-CB 3.89Å; W182-P364 HydrophobicContact CZ3-CG 3.86Å; N317-P364 HydrophobicContact CB-CG 3.63Å; N317-P364 VanDerWaalsContact ND2-CG 3.32Å; N317-P364 WeakPolarHBondContact ND2-CG 3.43Å; N317-P364 VanDerWaalsContact OD1-CD 3.32Å; N317-P364 WeakPolarHBondContact OD1-CD 3.5Å; N317-P364 VanDerWaalsContact OD1-CG 3.29Å; N317-P364 WeakPolarHBondContact OD1-CG 3.3Å; P364-L367 PolarHBondContact O-N 2.71Å; P364-Q368 VanDerWaalsContact O-CB 3.29Å; P364-Q368 WeakPolarHBondContact O-CB 3.33Å; P364-Q368 PolarHBondContact O-N 2.92Å
365	R	98.8	Very high	98.6	Very high	44 Å²	44	26.3 Å²	26.3	17%	0.166	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-47.5	179.1	-168.6	-162.3	179.3	75.6	4.3	111	P168 W174 E175 E272 S363 L367 Q368 N369	P168-R365 HydrophobicContact CB-CG 3.47Å; P168-R365 VanDerWaalsContact CB-CG 3.47Å; P168-R365 HydrophobicContact CG-CG 3.94Å; P168-R365 PolarHBondContact O-NH2 3Å; W174-R365 HydrophobicContact CE3-CB 4.19Å; W174-R365 HydrophobicContact CE3-CG 4.27Å; W174-R365 HydrophobicContact CZ3-CB 4.13Å; E175-R365 VanDerWaalsContact OE1-CD 3.25Å; E175-R365 WeakPolarHBondContact OE1-CD 3.35Å; E175-R365 IonicContact OE1-CZ 2.83Å; E175-R365 IonicContact OE1-NE 2.79Å; E175-R365 IonicContact OE1-NH1 3.38Å; E175-R365 PolarHBondContact OE1-NH1 3Å; E175-R365 IonicContact OE2-NH1 2.9Å; E175-R365 PolarHBondContact OE2-NH1 2.8Å; E272-R365 IonicContact OE1-CZ 3.87Å; E272-R365 IonicContact OE1-NE 2.68Å; E272-R365 IonicContact OE1-NH2 3.7Å; E272-R365 PolarHBondContact OE1-NH2 3.4Å; E272-R365 IonicContact OE2-CZ 3.99Å; E272-R365 IonicContact OE2-NE 2.65Å; E272-R365 PolarHBondContact OE2-NE 3.42Å; E272-R365 IonicContact OE2-NH2 3.11Å; E272-R365 PolarHBondContact OE2-NH2 2.87Å; S363-R365 PolarHBondContact O-N 2.77Å; S363-R365 VanDerWaalsContact O-N 3.17Å; S363-R365 PolarHBondContact OG-N 3.06Å; R365-L367 PolarHBondContact O-N 3.12Å; R365-Q368 PolarHBondContact O-N 3.29Å; R365-N369 WeakPolarHBondContact O-CB 3.45Å; R365-N369 PolarHBondContact O-N 3.23Å
366	D	98.8	Very high	98.6	Very high	14 Å²	14	26.3 Å²	26.3	8%	0.075	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-44.5	-178.5	-55.9	-45.3	0	0	0	111.2	K275 Y362 S363 N369 L370	K275-D366 VanDerWaalsContact CD-OD1 3.31Å; K275-D366 WeakPolarHBondContact CD-OD1 3.38Å; K275-D366 VanDerWaalsContact CE-CG 3.44Å; K275-D366 WeakPolarHBondContact CE-OD1 3.45Å; K275-D366 WeakPolarHBondContact CE-OD2 3.24Å; K275-D366 IonicContact NZ-OD1 2.76Å; K275-D366 PolarHBondContact NZ-OD1 3.32Å; K275-D366 IonicContact NZ-OD2 3.56Å; K275-D366 PolarHBondContact NZ-OD2 2.87Å; Y362-D366 HydrophobicContact CD1-CB 3.87Å; Y362-D366 HydrophobicContact CG-CB 4.44Å; S363-D366 WeakPolarHBondContact CB-OD2 3.41Å; S363-D366 PolarHBondContact N-OD2 2.89Å; S363-D366 PolarHBondContact O-N 3.46Å; S363-D366 VanDerWaalsContact O-N 3.07Å; S363-D366 PolarHBondContact OG-N 3.01Å; S363-D366 PolarHBondContact OG-OD2 3.1Å; D366-N369 PolarHBondContact O-N 3.37Å; D366-L370 PolarHBondContact O-N 3.31Å
367	L	98.9	Very high	98.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.2	-47.3	178	-62.2	176.1	0	0	0	111.3	W182 L200 L279 I316 L359 S363 P364 R365 N369 L370 M371	W182-L367 HydrophobicContact CH2-CD1 4.02Å; W182-L367 HydrophobicContact CZ2-CB 4.39Å; L200-L367 HydrophobicContact CD1-CD2 4.3Å; L279-L367 HydrophobicContact CD1-CD2 4.19Å; L279-L367 HydrophobicContact CD2-CD2 3.83Å; I316-L367 HydrophobicContact CG2-CD1 3.37Å; L359-L367 HydrophobicContact CD2-CD2 3.75Å; S363-L367 WeakPolarHBondContact O-CG 3.49Å; S363-L367 PolarHBondContact O-N 2.99Å; S363-L367 VanDerWaalsContact O-N 3.09Å; P364-L367 PolarHBondContact O-N 2.71Å; R365-L367 PolarHBondContact O-N 3.12Å; L367-N369 VanDerWaalsContact C-N 3.29Å; L367-N369 PolarHBondContact O-N 3.46Å; L367-L370 PolarHBondContact O-N 3.21Å; L367-M371 HydrophobicContact CB-CE 4.44Å; L367-M371 VanDerWaalsContact O-CG 3.28Å; L367-M371 WeakPolarHBondContact O-CG 3.28Å; L367-M371 PolarHBondContact O-N 2.95Å
368	Q	98.9	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-34.1	179.6	-167.4	67.1	51.1	0	0	112.1	I164 P168 W174 P364 R365 L370 M371 S372	I164-Q368 PolarHBondContact O-NE2 2.97Å; P168-Q368 HydrophobicContact CG-CB 3.88Å; P168-Q368 HydrophobicContact CG-CG 4.14Å; W174-Q368 HydrophobicContact CH2-CB 4.14Å; W174-Q368 HydrophobicContact CZ2-CB 3.72Å; W174-Q368 HydrophobicContact CZ2-CG 3.7Å; P364-Q368 VanDerWaalsContact O-CB 3.29Å; P364-Q368 WeakPolarHBondContact O-CB 3.33Å; P364-Q368 PolarHBondContact O-N 2.92Å; R365-Q368 PolarHBondContact O-N 3.29Å; Q368-L370 VanDerWaalsContact C-N 3.33Å; Q368-L370 PolarHBondContact O-N 3.49Å; Q368-M371 HydrophobicContact CB-CE 4.31Å; Q368-M371 PolarHBondContact O-N 3.44Å; Q368-S372 PolarHBondContact NE2-OG 3.07Å; Q368-S372 WeakPolarHBondContact O-CB 3.4Å; Q368-S372 PolarHBondContact O-N 3.09Å; Q368-S372 PolarHBondContact O-OG 2.59Å
369	N	98.9	Very high	98.7	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.011	11%	0.114	C	C	.	.	H	α-helix	trans	-58.4	-44.3	174.1	-93.4	-29	0	0	0	111.7	W167 P168 V169 E272 M273 V276 R365 D366 L367 W373	W167-N369 PolarHBondContact NE1-O 3.25Å; P168-N369 WeakPolarHBondContact CB-OD1 3.45Å; P168-N369 VanDerWaalsContact CD-OD1 3.25Å; P168-N369 WeakPolarHBondContact CD-OD1 3.31Å; P168-N369 HydrophobicContact CG-CB 4.47Å; P168-N369 WeakPolarHBondContact CG-OD1 3.19Å; V169-N369 PolarHBondContact N-OD1 3.24Å; E272-N369 PolarHBondContact OE2-ND2 3.16Å; M273-N369 HydrophobicContact CE-CB 4.34Å; V276-N369 HydrophobicContact CG2-CB 3.55Å; R365-N369 WeakPolarHBondContact O-CB 3.45Å; R365-N369 PolarHBondContact O-N 3.23Å; D366-N369 PolarHBondContact O-N 3.37Å; L367-N369 VanDerWaalsContact C-N 3.29Å; L367-N369 PolarHBondContact O-N 3.46Å; N369-W373 WeakPolarHBondContact O-CB 3.24Å; N369-W373 PolarHBondContact O-N 2.99Å
370	L	98.9	Very high	98.7	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-67.8	-50.4	173.1	175.5	61	0	0	0	111.5	L200 V276 L279 E280 I283 D366 L367 Q368 S372 W373 R374	L200-L370 HydrophobicContact CD2-CD2 4.31Å; V276-L370 HydrophobicContact CG1-CB 3.99Å; V276-L370 HydrophobicContact CG1-CD1 3.72Å; V276-L370 HydrophobicContact CG1-CG 4.45Å; L279-L370 HydrophobicContact CD2-CB 3.88Å; L279-L370 HydrophobicContact CD2-CD2 3.68Å; L279-L370 HydrophobicContact CD2-CG 4.44Å; L279-L370 HydrophobicContact CG-CD2 3.81Å; E280-L370 HydrophobicContact CB-CD1 4.06Å; E280-L370 HydrophobicContact CB-CD2 4.22Å; E280-L370 HydrophobicContact CG-CD1 4.12Å; E280-L370 HydrophobicContact CG-CD2 4.39Å; I283-L370 HydrophobicContact CD1-CD2 3.65Å; D366-L370 PolarHBondContact O-N 3.31Å; L367-L370 PolarHBondContact O-N 3.21Å; Q368-L370 VanDerWaalsContact C-N 3.33Å; Q368-L370 PolarHBondContact O-N 3.49Å; L370-S372 PolarHBondContact O-N 2.88Å; L370-W373 WeakPolarHBondContact O-CB 3.47Å; L370-W373 PolarHBondContact O-N 2.89Å; L370-R374 HydrophobicContact CD1-CG 3.78Å; L370-R374 HydrophobicContact CG-CG 4.28Å; L370-R374 VanDerWaalsContact O-CG 3.24Å; L370-R374 WeakPolarHBondContact O-CG 3.32Å; L370-R374 PolarHBondContact O-N 2.87Å
371	M	98.9	Very high	98.6	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-58.9	-48.6	-174.1	-71.1	-169.9	-59	0	0	112.5	W182 I188 L191 V199 L200 L367 Q368 R374	W182-M371 HydrophobicContact CZ2-CE 3.89Å; I188-M371 HydrophobicContact CG1-SD 3.62Å; L191-M371 HydrophobicContact CD1-CB 3.8Å; V199-M371 HydrophobicContact CB-CG 4.08Å; V199-M371 HydrophobicContact CG2-CB 3.94Å; V199-M371 HydrophobicContact CG2-CG 3.6Å; V199-M371 HydrophobicContact CG2-SD 3.91Å; L200-M371 HydrophobicContact CD1-CG 4.1Å; L200-M371 HydrophobicContact CD1-SD 3.72Å; L200-M371 HydrophobicContact CG-CG 4.17Å; L200-M371 HydrophobicContact CG-SD 4.24Å; L367-M371 HydrophobicContact CB-CE 4.44Å; L367-M371 VanDerWaalsContact O-CG 3.28Å; L367-M371 WeakPolarHBondContact O-CG 3.28Å; L367-M371 PolarHBondContact O-N 2.95Å; Q368-M371 HydrophobicContact CB-CE 4.31Å; Q368-M371 PolarHBondContact O-N 3.44Å; M371-R374 PolarHBondContact O-N 2.94Å
372	S	98.9	Very high	98.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.4	-42.5	177.4	-62.6	0	0	0	0	111.3	G166 Q368 L370 R374 F375 I376	G166-S372 WeakPolarHBondContact O-CB 3.39Å; G166-S372 PolarHBondContact O-OG 3.03Å; Q368-S372 PolarHBondContact NE2-OG 3.07Å; Q368-S372 WeakPolarHBondContact O-CB 3.4Å; Q368-S372 PolarHBondContact O-N 3.09Å; Q368-S372 PolarHBondContact O-OG 2.59Å; L370-S372 PolarHBondContact O-N 2.88Å; S372-R374 VanDerWaalsContact C-N 3.29Å; S372-R374 PolarHBondContact O-N 2.9Å; S372-F375 PolarHBondContact O-N 2.65Å; S372-F375 VanDerWaalsContact O-N 3.08Å; S372-I376 WeakPolarHBondContact O-CB 3.39Å; S372-I376 WeakPolarHBondContact O-CD1 3.43Å; S372-I376 WeakPolarHBondContact O-CG1 3.49Å; S372-I376 PolarHBondContact O-N 3.42Å
373	W	98.9	Very high	98.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-53.7	-47.2	176	164.2	-116.8	0	0	0	111.9	W167 Y245 F248 M249 V252 N369 L370 F375 I376 M377	W167-W373 AromaticContact CH2-CE3 3.85Å; W167-W373 HydrophobicContact CH2-CE3 3.85Å; W167-W373 HydrophobicContact CH2-CZ3 4.3Å; W167-W373 HydrophobicContact CZ2-CB 4.05Å; W167-W373 HydrophobicContact CZ2-CD2 4.43Å; W167-W373 AromaticContact CZ2-CE3 3.81Å; W167-W373 HydrophobicContact CZ2-CE3 3.81Å; Y245-W373 HydrophobicContact CD2-CZ2 4.19Å; Y245-W373 AromaticContact CE2-CE2 3.84Å; Y245-W373 AromaticContact CE2-CZ2 3.82Å; Y245-W373 HydrophobicContact CE2-CZ2 3.82Å; Y245-W373 AromaticContact CE2-NE1 3.25Å; Y245-W373 VanDerWaalsContact CE2-NE1 3.25Å; Y245-W373 AromaticContact CZ-NE1 3.29Å; Y245-W373 VanDerWaalsContact CZ-NE1 3.29Å; Y245-W373 PolarHBondContact OH-NE1 3.26Å; F248-W373 HydrophobicContact CB-CH2 4.3Å; F248-W373 AromaticContact CD1-CH2 3.37Å; F248-W373 HydrophobicContact CD1-CH2 3.37Å; F248-W373 AromaticContact CD1-CZ2 3.59Å; F248-W373 HydrophobicContact CD1-CZ2 3.59Å; 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 HydrophobicContact CE1-CZ3 4.5Å; F248-W373 AromaticContact CE2-CH2 3.96Å; F248-W373 HydrophobicContact CE2-CH2 3.96Å; F248-W373 AromaticContact CG-CH2 3.59Å; F248-W373 HydrophobicContact CG-CH2 3.59Å; F248-W373 HydrophobicContact CG-CZ2 4.14Å; F248-W373 AromaticContact CZ-CH2 3.72Å; F248-W373 HydrophobicContact CZ-CH2 3.72Å; F248-W373 HydrophobicContact CZ-CZ2 4.5Å; F248-W373 HydrophobicContact CZ-CZ3 4.43Å; M249-W373 HydrophobicContact CB-CD2 4.37Å; M249-W373 HydrophobicContact CB-CE3 4.43Å; M249-W373 HydrophobicContact CB-CH2 4.31Å; M249-W373 HydrophobicContact CB-CZ2 4.27Å; M249-W373 HydrophobicContact CB-CZ3 4.42Å; M249-W373 HydrophobicContact CE-CG 4.49Å; M249-W373 VanDerWaalsContact CE-NE1 3.3Å; M249-W373 HydrophobicContact CG-CD2 3.59Å; M249-W373 HydrophobicContact CG-CE3 4.11Å; M249-W373 HydrophobicContact CG-CG 4.04Å; M249-W373 HydrophobicContact CG-CH2 3.96Å; M249-W373 HydrophobicContact CG-CZ2 3.44Å; M249-W373 VanDerWaalsContact CG-CZ2 3.44Å; M249-W373 HydrophobicContact CG-CZ3 4.28Å; V252-W373 HydrophobicContact CB-CZ3 4.13Å; V252-W373 HydrophobicContact CG2-CZ3 4.08Å; N369-W373 WeakPolarHBondContact O-CB 3.24Å; N369-W373 PolarHBondContact O-N 2.99Å; L370-W373 WeakPolarHBondContact O-CB 3.47Å; L370-W373 PolarHBondContact O-N 2.89Å; W373-F375 PolarHBondContact O-N 2.75Å; W373-F375 VanDerWaalsContact O-N 3.15Å; W373-I376 HydrophobicContact CE3-CG2 4.46Å; W373-I376 PolarHBondContact O-N 3.49Å; W373-I376 VanDerWaalsContact O-N 3.15Å; W373-M377 HydrophobicContact CD2-CB 4.19Å; W373-M377 HydrophobicContact CE3-CB 4.2Å; W373-M377 HydrophobicContact CH2-CB 3.7Å; W373-M377 HydrophobicContact CZ2-CB 3.65Å; W373-M377 HydrophobicContact CZ2-CG 4.47Å; W373-M377 HydrophobicContact CZ2-SD 4.12Å; W373-M377 HydrophobicContact CZ3-CB 3.95Å; W373-M377 WeakPolarHBondContact O-CB 3.31Å; W373-M377 WeakPolarHBondContact O-CG 3.28Å; W373-M377 PolarHBondContact O-N 2.99Å
374	R	98.9	Very high	98.6	Very high	20 Å²	20	12.8 Å²	12.8	8%	0.075	7%	0.07	C	C	.	.	H	α-helix	trans	-58.2	-32.2	-178.7	-69.2	-66.3	-68.3	116.6	-1.2	112.2	K197 V199 R223 L224 G225 E280 L370 M371 S372 M377	K197-R374 WeakPolarHBondContact CE-O 3.33Å; K197-R374 PolarHBondContact NZ-O 2.81Å; V199-R374 HydrophobicContact CG1-CB 3.81Å; V199-R374 HydrophobicContact CG1-CG 4.28Å; R223-R374 PolarHBondContact O-NH2 2.95Å; L224-R374 VanDerWaalsContact C-CZ 3.5Å; L224-R374 PolarHBondContact O-NH2 2.9Å; G225-R374 VanDerWaalsContact CA-NH1 3.34Å; G225-R374 VanDerWaalsContact N-CZ 3.34Å; E280-R374 VanDerWaalsContact OE1-CD 3.32Å; E280-R374 WeakPolarHBondContact OE1-CD 3.34Å; E280-R374 IonicContact OE1-NE 3.72Å; E280-R374 PolarHBondContact OE1-NE 2.67Å; L370-R374 HydrophobicContact CD1-CG 3.78Å; L370-R374 HydrophobicContact CG-CG 4.28Å; L370-R374 VanDerWaalsContact O-CG 3.24Å; L370-R374 WeakPolarHBondContact O-CG 3.32Å; L370-R374 PolarHBondContact O-N 2.87Å; M371-R374 PolarHBondContact O-N 2.94Å; S372-R374 VanDerWaalsContact C-N 3.29Å; S372-R374 PolarHBondContact O-N 2.9Å; R374-M377 PolarHBondContact NH1-SD 3.06Å; R374-M377 VanDerWaalsContact O-CG 3.31Å; R374-M377 WeakPolarHBondContact O-CG 3.4Å
375	F	98.8	Very high	98.6	Very high	4 Å²	4	16 Å²	16	2%	0.018	8%	0.08	C	C	.	.	H	α-helix	trans	-81.7	-46.2	174.5	-171.8	-154.3	0	0	0	112.1	L160 I164 L191 Y195 K197 S372 W373 M377 D378 L379 I512 L515	L160-F375 HydrophobicContact CD1-CE1 4.2Å; L160-F375 HydrophobicContact CD1-CZ 4.5Å; L160-F375 HydrophobicContact CD2-CD1 4.28Å; L160-F375 HydrophobicContact CD2-CE1 3.82Å; I164-F375 HydrophobicContact CD1-CD1 4.13Å; I164-F375 HydrophobicContact CG2-CD1 4.44Å; L191-F375 HydrophobicContact CD2-CB 4Å; L191-F375 HydrophobicContact CD2-CD1 3.66Å; L191-F375 HydrophobicContact CD2-CE1 4.47Å; L191-F375 HydrophobicContact CD2-CG 4.1Å; Y195-F375 AromaticContact CD1-CE1 3.67Å; Y195-F375 HydrophobicContact CD1-CE1 3.67Å; Y195-F375 AromaticContact CD1-CZ 3.48Å; Y195-F375 HydrophobicContact CD1-CZ 3.48Å; Y195-F375 VanDerWaalsContact CD1-CZ 3.48Å; Y195-F375 AromaticContact CD2-CE1 3.86Å; Y195-F375 HydrophobicContact CD2-CE1 3.86Å; Y195-F375 HydrophobicContact CD2-CZ 4.39Å; Y195-F375 HydrophobicContact CE1-CE1 4.17Å; Y195-F375 HydrophobicContact CE1-CZ 4.25Å; Y195-F375 HydrophobicContact CE2-CE1 4.37Å; Y195-F375 HydrophobicContact CG-CD1 4.45Å; 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 3.55Å; Y195-F375 HydrophobicContact CG-CZ 3.55Å; K197-F375 HydrophobicContact CB-CD2 4.42Å; K197-F375 HydrophobicContact CG-CB 4.1Å; K197-F375 HydrophobicContact CG-CD2 4.44Å; K197-F375 HydrophobicContact CG-CG 4.45Å; S372-F375 PolarHBondContact O-N 2.65Å; S372-F375 VanDerWaalsContact O-N 3.08Å; W373-F375 PolarHBondContact O-N 2.75Å; W373-F375 VanDerWaalsContact O-N 3.15Å; F375-M377 VanDerWaalsContact C-N 3.27Å; F375-M377 PolarHBondContact O-N 3.29Å; F375-D378 WeakPolarHBondContact O-CB 3.28Å; F375-D378 PolarHBondContact O-N 2.96Å; F375-L379 HydrophobicContact CD1-CD1 4.1Å; F375-L379 HydrophobicContact CD2-CD1 4.06Å; F375-L379 HydrophobicContact CD2-CD2 4.5Å; F375-L379 HydrophobicContact CD2-CG 4.07Å; F375-L379 HydrophobicContact CE1-CD1 3.88Å; F375-L379 HydrophobicContact CE2-CD1 3.82Å; F375-L379 HydrophobicContact CE2-CD2 3.8Å; F375-L379 HydrophobicContact CE2-CG 3.83Å; F375-L379 HydrophobicContact CG-CD1 4.18Å; F375-L379 HydrophobicContact CZ-CD1 3.72Å; F375-L379 HydrophobicContact CZ-CD2 4.08Å; F375-L379 HydrophobicContact CZ-CG 4.19Å; F375-L379 PolarHBondContact O-N 2.89Å; F375-I512 HydrophobicContact CZ-CD1 4.07Å; F375-L515 HydrophobicContact CE2-CD1 3.82Å; F375-L515 HydrophobicContact CZ-CD1 4Å
376	I	98.9	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-54.9	-43.6	180	-69.9	165	0	0	0	111.1	L157 L161 W167 V252 S372 W373 D378 L379 V380	L157-I376 HydrophobicContact CD1-CG1 4.21Å; L157-I376 HydrophobicContact CD2-CG2 4.08Å; L161-I376 HydrophobicContact CD2-CD1 3.79Å; L161-I376 HydrophobicContact CD2-CG1 4.19Å; W167-I376 HydrophobicContact CB-CD1 3.88Å; W167-I376 HydrophobicContact CD2-CD1 3.5Å; W167-I376 VanDerWaalsContact CD2-CD1 3.5Å; W167-I376 HydrophobicContact CE3-CD1 3.49Å; W167-I376 VanDerWaalsContact CE3-CD1 3.49Å; W167-I376 HydrophobicContact CG-CD1 3.7Å; W167-I376 HydrophobicContact CZ3-CD1 4.15Å; V252-I376 HydrophobicContact CG1-CG2 3.6Å; S372-I376 WeakPolarHBondContact O-CB 3.39Å; S372-I376 WeakPolarHBondContact O-CD1 3.43Å; S372-I376 WeakPolarHBondContact O-CG1 3.49Å; S372-I376 PolarHBondContact O-N 3.42Å; W373-I376 HydrophobicContact CE3-CG2 4.46Å; W373-I376 PolarHBondContact O-N 3.49Å; W373-I376 VanDerWaalsContact O-N 3.15Å; I376-D378 PolarHBondContact O-N 3.25Å; I376-D378 VanDerWaalsContact O-N 3.15Å; I376-L379 PolarHBondContact O-N 3.31Å; I376-V380 HydrophobicContact CG2-CG1 4.2Å; I376-V380 WeakPolarHBondContact O-CG1 3.33Å; I376-V380 PolarHBondContact O-N 2.77Å; I376-V380 VanDerWaalsContact O-N 3.07Å
377	M	98.7	Very high	98.5	Very high	6 Å²	6	18.5 Å²	18.5	3%	0.03	10%	0.096	C	C	.	.	H	α-helix	trans	-62.5	-22.1	-178.6	70.2	178	-74.6	0	0	114.4	Y245 F248 W373 R374 F375 F394	Y245-M377 HydrophobicContact CE2-CE 3.91Å; Y245-M377 HydrophobicContact CE2-SD 3.95Å; F248-M377 HydrophobicContact CE1-CB 3.83Å; F248-M377 HydrophobicContact CZ-CB 4.1Å; W373-M377 HydrophobicContact CD2-CB 4.19Å; W373-M377 HydrophobicContact CE3-CB 4.2Å; W373-M377 HydrophobicContact CH2-CB 3.7Å; W373-M377 HydrophobicContact CZ2-CB 3.65Å; W373-M377 HydrophobicContact CZ2-CG 4.47Å; W373-M377 HydrophobicContact CZ2-SD 4.12Å; W373-M377 HydrophobicContact CZ3-CB 3.95Å; W373-M377 WeakPolarHBondContact O-CB 3.31Å; W373-M377 WeakPolarHBondContact O-CG 3.28Å; W373-M377 PolarHBondContact O-N 2.99Å; R374-M377 PolarHBondContact NH1-SD 3.06Å; R374-M377 VanDerWaalsContact O-CG 3.31Å; R374-M377 WeakPolarHBondContact O-CG 3.4Å; F375-M377 VanDerWaalsContact C-N 3.27Å; F375-M377 PolarHBondContact O-N 3.29Å; M377-F394 HydrophobicContact CE-CE1 3.86Å; M377-F394 HydrophobicContact CE-CZ 4.09Å
378	D	98.2	Very high	98.5	Very high	77 Å²	77	18.9 Å²	18.9	41%	0.412	10%	0.098	S	C	.	.	H	α-helix	trans	-81.6	-35.9	173.2	-62.5	-19	0	0	0	110.5	K197 F375 I376 S381	K197-D378 IonicContact NZ-OD1 3.85Å; K197-D378 IonicContact NZ-OD2 3.83Å; K197-D378 PolarHBondContact NZ-OD2 2.71Å; F375-D378 WeakPolarHBondContact O-CB 3.28Å; F375-D378 PolarHBondContact O-N 2.96Å; I376-D378 PolarHBondContact O-N 3.25Å; I376-D378 VanDerWaalsContact O-N 3.15Å; D378-S381 PolarHBondContact O-OG 2.87Å; D378-S381 VanDerWaalsContact O-OG 3.12Å
379	L	98.6	Very high	98.4	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.026	12%	0.12	C	C	.	.	H	α-helix	trans	-77.3	-27	-174.8	-64.5	176.2	0	0	0	114.3	L157 F375 I376 S381 S382 F508 I511 I512	L157-L379 HydrophobicContact CD1-CD1 3.82Å; F375-L379 HydrophobicContact CD1-CD1 4.1Å; F375-L379 HydrophobicContact CD2-CD1 4.06Å; F375-L379 HydrophobicContact CD2-CD2 4.5Å; F375-L379 HydrophobicContact CD2-CG 4.07Å; F375-L379 HydrophobicContact CE1-CD1 3.88Å; F375-L379 HydrophobicContact CE2-CD1 3.82Å; F375-L379 HydrophobicContact CE2-CD2 3.8Å; F375-L379 HydrophobicContact CE2-CG 3.83Å; F375-L379 HydrophobicContact CG-CD1 4.18Å; F375-L379 HydrophobicContact CZ-CD1 3.72Å; F375-L379 HydrophobicContact CZ-CD2 4.08Å; F375-L379 HydrophobicContact CZ-CG 4.19Å; F375-L379 PolarHBondContact O-N 2.89Å; I376-L379 PolarHBondContact O-N 3.31Å; L379-S381 PolarHBondContact O-N 3.08Å; L379-S382 WeakPolarHBondContact O-CB 3.24Å; L379-S382 PolarHBondContact O-N 3.29Å; L379-F508 HydrophobicContact CB-CE2 4.24Å; L379-F508 HydrophobicContact CD1-CE2 4.47Å; L379-F508 HydrophobicContact CD1-CZ 4.12Å; L379-F508 HydrophobicContact CD2-CE2 4.25Å; L379-F508 HydrophobicContact CD2-CZ 4.4Å; L379-I511 HydrophobicContact CD2-CD1 4.01Å; L379-I512 HydrophobicContact CD2-CD1 4.06Å
380	V	98.1	Very high	98.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-57.7	-28.4	-175.5	-61.5	0	0	0	0	113.7	F248 V252 I376 S382 L383 Y387	F248-V380 HydrophobicContact CE2-CG1 4.48Å; F248-V380 HydrophobicContact CE2-CG2 3.93Å; F248-V380 HydrophobicContact CZ-CG2 3.61Å; V252-V380 HydrophobicContact CG1-CG1 3.96Å; V252-V380 HydrophobicContact CG2-CG1 3.84Å; I376-V380 HydrophobicContact CG2-CG1 4.2Å; I376-V380 WeakPolarHBondContact O-CG1 3.33Å; I376-V380 PolarHBondContact O-N 2.77Å; I376-V380 VanDerWaalsContact O-N 3.07Å; V380-S382 PolarHBondContact O-N 3.38Å; V380-L383 PolarHBondContact O-N 3.24Å; V380-Y387 HydrophobicContact CG1-CD1 4.45Å
381	S	96.3	Very high	98.4	Very high	50 Å²	50	26.7 Å²	26.7	35%	0.35	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-69.4	-12.7	177.9	66	0	0	0	0	113.4	D378 L379 K388	D378-S381 PolarHBondContact O-OG 2.87Å; D378-S381 VanDerWaalsContact O-OG 3.12Å; L379-S381 PolarHBondContact O-N 3.08Å; S381-K388 WeakPolarHBondContact O-CE 3.36Å
382	S	98.3	Very high	98.3	Very high	14 Å²	14	29.7 Å²	29.7	10%	0.098	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-110	9.2	-179.3	-58.3	0	0	0	0	113.3	L379 V380 I511	L379-S382 WeakPolarHBondContact O-CB 3.24Å; L379-S382 PolarHBondContact O-N 3.29Å; V380-S382 PolarHBondContact O-N 3.38Å; S382-I511 VanDerWaalsContact CB-CD1 3.47Å
383	L	98.6	Very high	98.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.173	C	C	.	.	S	Bend	trans	-105.4	-171	175.9	-64.5	175.1	0	0	0	110.9	I149 P156 L157 V380 Y387 K388 F508	I149-L383 VanDerWaalsContact CG2-O 3.3Å; I149-L383 WeakPolarHBondContact CG2-O 3.49Å; P156-L383 HydrophobicContact CB-CD2 4.41Å; L157-L383 HydrophobicContact CB-CD1 3.8Å; L157-L383 HydrophobicContact CB-CD2 4.13Å; L157-L383 HydrophobicContact CD2-CD1 3.8Å; L157-L383 HydrophobicContact CG-CD1 4.42Å; V380-L383 PolarHBondContact O-N 3.24Å; L383-Y387 HydrophobicContact CB-CD2 4.2Å; L383-Y387 HydrophobicContact CB-CG 4.01Å; L383-Y387 HydrophobicContact CD1-CD1 3.82Å; L383-Y387 HydrophobicContact CD1-CD2 4.32Å; L383-Y387 HydrophobicContact CD1-CE1 4.27Å; L383-Y387 HydrophobicContact CD1-CG 3.84Å; L383-K388 WeakPolarHBondContact O-CE 3.46Å; L383-K388 PolarHBondContact O-NZ 3.42Å; L383-F508 HydrophobicContact CD2-CD2 3.61Å; L383-F508 HydrophobicContact CD2-CE2 3.65Å; L383-F508 HydrophobicContact CG-CD2 4.43Å; L383-F508 HydrophobicContact CG-CE2 4.28Å
384	S	98.5	Very high	98.3	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.063	17%	0.174	C	C	.	.			trans	-60.2	162.9	178.6	72.3	0	0	0	0	114	D150 G153 N386 Y387 K388	D150-S384 VanDerWaalsContact OD1-CA 3.24Å; D150-S384 WeakPolarHBondContact OD1-CA 3.39Å; G153-S384 PolarHBondContact O-N 3.2Å; S384-N386 PolarHBondContact O-N 3.17Å; S384-N386 VanDerWaalsContact O-N 3.15Å; S384-Y387 PolarHBondContact O-N 2.98Å; S384-K388 PolarHBondContact O-N 2.84Å
385	R	97.9	Very high	98.3	Very high	83 Å²	83	32.5 Å²	32.5	31%	0.313	17%	0.173	S	C	.	.	H	α-helix	trans	-45.3	-44.5	178.3	-176.1	65	62	-161.4	-5.4	113.6	E146 D150 Y387 K388 E389	E146-R385 IonicContact OE1-CZ 3.67Å; E146-R385 IonicContact OE1-NH1 2.71Å; E146-R385 IonicContact OE1-NH2 3.76Å; E146-R385 PolarHBondContact OE1-NH2 3.46Å; E146-R385 IonicContact OE2-NH2 3.49Å; D150-R385 PolarHBondContact OD1-N 3.13Å; R385-Y387 VanDerWaalsContact C-N 3.29Å; R385-Y387 PolarHBondContact O-N 2.72Å; R385-K388 PolarHBondContact O-N 3.24Å; R385-K388 VanDerWaalsContact O-N 3.14Å; R385-E389 WeakPolarHBondContact CD-OE1 3.4Å; R385-E389 HydrophobicContact CG-CG 4.22Å; R385-E389 VanDerWaalsContact CG-OE1 3.31Å; R385-E389 WeakPolarHBondContact CG-OE1 3.46Å; R385-E389 WeakPolarHBondContact O-CB 3.49Å; R385-E389 WeakPolarHBondContact O-CG 3.33Å; R385-E389 PolarHBondContact O-N 3.35Å
386	N	97.4	Very high	98.3	Very high	106 Å²	106	37.4 Å²	37.4	57%	0.567	20%	0.195	S	C	*	.	H	α-helix	trans	-58.9	-39.6	-180	-67.4	-7.6	0	0	0	112.3	L255 S384	L255-N386 WeakPolarHBondContact CD1-O 3.47Å; L255-N386 HydrophobicContact CD2-CB 4.43Å; S384-N386 PolarHBondContact O-N 3.17Å; S384-N386 VanDerWaalsContact O-N 3.15Å
387	Y	98.7	Very high	98.3	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.02	20%	0.201	C	C	.	.	H	α-helix	trans	-73.1	-41.7	175.2	-77.6	-89.4	0	0	0	111.7	V252 L255 I256 E259 V380 L383 S384 R385 E389 S390	V252-Y387 HydrophobicContact CG1-CD1 4.46Å; V252-Y387 HydrophobicContact CG1-CE1 4.44Å; L255-Y387 HydrophobicContact CB-CD1 4.39Å; L255-Y387 HydrophobicContact CB-CE1 3.83Å; L255-Y387 HydrophobicContact CD1-CD1 4.02Å; L255-Y387 HydrophobicContact CD1-CE1 4.3Å; L255-Y387 HydrophobicContact CD1-CG 4.23Å; I256-Y387 HydrophobicContact CG1-CE1 3.98Å; E259-Y387 WeakPolarHBondContact OE2-CE2 3.42Å; E259-Y387 PolarHBondContact OE2-OH 3.45Å; V380-Y387 HydrophobicContact CG1-CD1 4.45Å; L383-Y387 HydrophobicContact CB-CD2 4.2Å; L383-Y387 HydrophobicContact CB-CG 4.01Å; L383-Y387 HydrophobicContact CD1-CD1 3.82Å; L383-Y387 HydrophobicContact CD1-CD2 4.32Å; L383-Y387 HydrophobicContact CD1-CE1 4.27Å; L383-Y387 HydrophobicContact CD1-CG 3.84Å; S384-Y387 PolarHBondContact O-N 2.98Å; R385-Y387 VanDerWaalsContact C-N 3.29Å; R385-Y387 PolarHBondContact O-N 2.72Å; Y387-E389 VanDerWaalsContact C-N 3.3Å; Y387-E389 PolarHBondContact O-N 2.56Å; Y387-S390 WeakPolarHBondContact O-CB 3.47Å; Y387-S390 PolarHBondContact O-N 2.92Å; Y387-S390 PolarHBondContact O-OG 3.04Å
388	K	98.3	Very high	98.2	Very high	7 Å²	7	38 Å²	38	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-57.7	-44	176.3	-62.6	-168.9	179.1	86.3	0	111.7	S381 L383 S384 R385 S390 R391	S381-K388 WeakPolarHBondContact O-CE 3.36Å; L383-K388 WeakPolarHBondContact O-CE 3.46Å; L383-K388 PolarHBondContact O-NZ 3.42Å; S384-K388 PolarHBondContact O-N 2.84Å; R385-K388 PolarHBondContact O-N 3.24Å; R385-K388 VanDerWaalsContact O-N 3.14Å; K388-S390 VanDerWaalsContact C-N 3.28Å; K388-S390 PolarHBondContact O-N 3.19Å; K388-R391 PolarHBondContact O-N 3.45Å
389	E	98	Very high	98.2	Very high	100 Å²	100	37.9 Å²	37.9	47%	0.467	20%	0.195	S	C	.	.	H	α-helix	trans	-66.1	-27.1	-177.6	-74.8	178.3	-180	0	0	113.7	R385 Y387 R391 N392	R385-E389 WeakPolarHBondContact CD-OE1 3.4Å; R385-E389 HydrophobicContact CG-CG 4.22Å; R385-E389 VanDerWaalsContact CG-OE1 3.31Å; R385-E389 WeakPolarHBondContact CG-OE1 3.46Å; R385-E389 WeakPolarHBondContact O-CB 3.49Å; R385-E389 WeakPolarHBondContact O-CG 3.33Å; R385-E389 PolarHBondContact O-N 3.35Å; Y387-E389 VanDerWaalsContact C-N 3.3Å; Y387-E389 PolarHBondContact O-N 2.56Å; E389-R391 PolarHBondContact O-N 3.34Å; E389-N392 VanDerWaalsContact O-CB 3.29Å; E389-N392 WeakPolarHBondContact O-CB 3.23Å; E389-N392 PolarHBondContact O-N 3.49Å; E389-N392 PolarHBondContact O-ND2 3.33Å
390	S	98.5	Very high	98.2	Very high	20 Å²	20	37.8 Å²	37.8	14%	0.14	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.1	175.8	73.5	0	0	0	0	113.5	F248 V252 Y387 K388	F248-S390 WeakPolarHBondContact CD2-O 3.4Å; F248-S390 WeakPolarHBondContact CE2-OG 3.5Å; V252-S390 WeakPolarHBondContact CG2-OG 3.41Å; Y387-S390 WeakPolarHBondContact O-CB 3.47Å; Y387-S390 PolarHBondContact O-N 2.92Å; Y387-S390 PolarHBondContact O-OG 3.04Å; K388-S390 VanDerWaalsContact C-N 3.28Å; K388-S390 PolarHBondContact O-N 3.19Å
391	R	98.4	Very high	98.2	Very high	52 Å²	52	38.1 Å²	38.1	20%	0.196	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-5.6	179.9	-160.9	174.5	-173	-85.2	1.6	113.9	F248 K388 E389 A393 F394 R395	F248-R391 HydrophobicContact CE1-CG 3.94Å; F248-R391 HydrophobicContact CE2-CB 3.97Å; F248-R391 HydrophobicContact CE2-CG 4.27Å; F248-R391 HydrophobicContact CZ-CB 4Å; F248-R391 HydrophobicContact CZ-CG 3.82Å; K388-R391 PolarHBondContact O-N 3.45Å; E389-R391 PolarHBondContact O-N 3.34Å; R391-A393 PolarHBondContact O-N 2.96Å; R391-F394 HydrophobicContact CG-CD1 4.25Å; R391-F394 PolarHBondContact O-N 3.26Å; R391-R395 WeakPolarHBondContact O-CB 3.39Å; R391-R395 PolarHBondContact O-N 2.87Å
392	N	98.1	Very high	98.2	Very high	63 Å²	63	38.9 Å²	38.9	34%	0.337	20%	0.2	S	C	.	.	H	α-helix	trans	-59.7	-51.6	-168	-78	-22.8	0	0	0	114	E389 R395 K396	E389-N392 VanDerWaalsContact O-CB 3.29Å; E389-N392 WeakPolarHBondContact O-CB 3.23Å; E389-N392 PolarHBondContact O-N 3.49Å; E389-N392 PolarHBondContact O-ND2 3.33Å; N392-R395 PolarHBondContact O-N 2.89Å; N392-R395 PolarHBondContact OD1-NH1 3.1Å; N392-R395 PolarHBondContact OD1-NH2 3.43Å; N392-K396 WeakPolarHBondContact O-CB 3.42Å; N392-K396 PolarHBondContact O-N 2.92Å
393	A	98.4	Very high	98.1	Very high	59 Å²	59	41 Å²	41	49%	0.488	22%	0.215	S	C	.	.	H	α-helix	trans	-63.3	-43.7	179.7	0	0	0	0	0	111.4	A244 R391 K396 A397	A244-A393 HydrophobicContact CB-CB 4.29Å; R391-A393 PolarHBondContact O-N 2.96Å; A393-K396 PolarHBondContact O-N 2.84Å; A393-A397 WeakPolarHBondContact O-CB 3.23Å; A393-A397 PolarHBondContact O-N 3.48Å
394	F	98.8	Very high	97.9	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-46.5	177.7	-179	-115.8	0	0	0	112.3	L226 A244 Y245 F248 M377 R391 K396 A397 L398	L226-F394 HydrophobicContact CD2-CE2 3.78Å; L226-F394 HydrophobicContact CD2-CZ 4.43Å; A244-F394 HydrophobicContact CB-CB 4.39Å; Y245-F394 HydrophobicContact CD2-CD2 4.07Å; Y245-F394 HydrophobicContact CD2-CE1 4.49Å; Y245-F394 AromaticContact CD2-CE2 3.44Å; Y245-F394 HydrophobicContact CD2-CE2 3.44Å; Y245-F394 VanDerWaalsContact CD2-CE2 3.44Å; Y245-F394 AromaticContact CD2-CZ 3.67Å; Y245-F394 HydrophobicContact CD2-CZ 3.67Å; Y245-F394 HydrophobicContact CE2-CE2 4.41Å; Y245-F394 HydrophobicContact CE2-CZ 4.23Å; Y245-F394 HydrophobicContact CG-CD2 4.43Å; Y245-F394 AromaticContact CG-CE2 3.87Å; Y245-F394 HydrophobicContact CG-CE2 3.87Å; Y245-F394 HydrophobicContact CG-CZ 4.48Å; F248-F394 HydrophobicContact CB-CB 4.11Å; F248-F394 HydrophobicContact CD1-CB 3.98Å; F248-F394 AromaticContact CD1-CD1 3.64Å; F248-F394 HydrophobicContact CD1-CD1 3.64Å; F248-F394 HydrophobicContact CD1-CE1 4.26Å; F248-F394 AromaticContact CD1-CG 3.83Å; F248-F394 HydrophobicContact CD1-CG 3.83Å; F248-F394 AromaticContact CE1-CD1 3.9Å; F248-F394 HydrophobicContact CE1-CD1 3.9Å; F248-F394 HydrophobicContact CE1-CE1 4.35Å; F248-F394 HydrophobicContact CG-CB 4.23Å; M377-F394 HydrophobicContact CE-CE1 3.86Å; M377-F394 HydrophobicContact CE-CZ 4.09Å; R391-F394 HydrophobicContact CG-CD1 4.25Å; R391-F394 PolarHBondContact O-N 3.26Å; F394-K396 VanDerWaalsContact C-N 3.35Å; F394-K396 PolarHBondContact O-N 3.37Å; F394-A397 PolarHBondContact O-N 3.43Å; F394-L398 HydrophobicContact CD1-CD1 4.4Å; F394-L398 HydrophobicContact CD2-CD1 4.32Å; F394-L398 HydrophobicContact CD2-CG 4.5Å; F394-L398 HydrophobicContact CE1-CD1 3.8Å; F394-L398 HydrophobicContact CE2-CD1 3.69Å; F394-L398 HydrophobicContact CE2-CG 4.18Å; F394-L398 HydrophobicContact CZ-CD1 3.41Å; F394-L398 VanDerWaalsContact CZ-CD1 3.41Å; F394-L398 HydrophobicContact CZ-CG 4.37Å; F394-L398 WeakPolarHBondContact O-CG 3.43Å; F394-L398 PolarHBondContact O-N 2.58Å
395	R	98.4	Very high	97.7	Very high	17 Å²	17	44.6 Å²	44.6	6%	0.064	23%	0.234	C	C	.	.	H	α-helix	trans	-59.5	-46.2	174.9	-175.3	-172.4	63.4	-112.2	-6.4	110.8	R391 N392 A397 L398 Y399 T401 T402 E404	R391-R395 WeakPolarHBondContact O-CB 3.39Å; R391-R395 PolarHBondContact O-N 2.87Å; N392-R395 PolarHBondContact O-N 2.89Å; N392-R395 PolarHBondContact OD1-NH1 3.1Å; N392-R395 PolarHBondContact OD1-NH2 3.43Å; R395-A397 PolarHBondContact O-N 2.85Å; R395-L398 PolarHBondContact O-N 2.94Å; R395-Y399 HydrophobicContact CG-CD2 3.89Å; R395-Y399 WeakPolarHBondContact O-CB 3.21Å; R395-Y399 VanDerWaalsContact O-CD2 3.3Å; R395-Y399 WeakPolarHBondContact O-CD2 3.48Å; R395-Y399 PolarHBondContact O-N 3.48Å; R395-T401 WeakPolarHBondContact CD-OG1 3.43Å; R395-T401 WeakPolarHBondContact CG-OG1 3.39Å; R395-T401 PolarHBondContact NE-OG1 3.43Å; R395-T402 PolarHBondContact NH2-O 3.21Å; R395-E404 IonicContact NH1-OE1 3.03Å
396	K	98.6	Very high	97.7	Very high	107 Å²	107	42.6 Å²	42.6	47%	0.465	24%	0.235	S	C	.	.	H	α-helix	trans	-62.1	-44	179.7	-172.7	-179.9	177.6	-176.3	0	111.8	N392 A393 F394 L398 G400	N392-K396 WeakPolarHBondContact O-CB 3.42Å; N392-K396 PolarHBondContact O-N 2.92Å; A393-K396 PolarHBondContact O-N 2.84Å; F394-K396 VanDerWaalsContact C-N 3.35Å; F394-K396 PolarHBondContact O-N 3.37Å; K396-L398 PolarHBondContact O-N 2.91Å; K396-G400 WeakPolarHBondContact O-CA 3.46Å; K396-G400 PolarHBondContact O-N 3.41Å
397	A	98.5	Very high	97.7	Very high	17 Å²	17	38.8 Å²	38.8	14%	0.14	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-27.9	179.5	0	0	0	0	0	113.5	E240 A241 A244 A393 F394 R395	E240-A397 HydrophobicContact CG-CB 4.09Å; A241-A397 HydrophobicContact CB-CB 4.3Å; A244-A397 HydrophobicContact CB-CB 4.12Å; A393-A397 WeakPolarHBondContact O-CB 3.23Å; A393-A397 PolarHBondContact O-N 3.48Å; F394-A397 PolarHBondContact O-N 3.43Å; R395-A397 PolarHBondContact O-N 2.85Å
398	L	98.1	Very high	97.7	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-94.5	-29.4	-179.7	-64.9	-172	0	0	0	114.7	L226 P227 Y231 A241 F394 R395 K396 N705	L226-L398 HydrophobicContact CD2-CD2 4.12Å; P227-L398 HydrophobicContact CG-CD1 4.03Å; P227-L398 HydrophobicContact CG-CD2 3.69Å; P227-L398 HydrophobicContact CG-CG 4.37Å; Y231-L398 HydrophobicContact CD1-CD2 4.27Å; Y231-L398 HydrophobicContact CE1-CD2 3.66Å; A241-L398 HydrophobicContact CB-CD2 3.79Å; F394-L398 HydrophobicContact CD1-CD1 4.4Å; F394-L398 HydrophobicContact CD2-CD1 4.32Å; F394-L398 HydrophobicContact CD2-CG 4.5Å; F394-L398 HydrophobicContact CE1-CD1 3.8Å; F394-L398 HydrophobicContact CE2-CD1 3.69Å; F394-L398 HydrophobicContact CE2-CG 4.18Å; F394-L398 HydrophobicContact CZ-CD1 3.41Å; F394-L398 VanDerWaalsContact CZ-CD1 3.41Å; F394-L398 HydrophobicContact CZ-CG 4.37Å; F394-L398 WeakPolarHBondContact O-CG 3.43Å; F394-L398 PolarHBondContact O-N 2.58Å; R395-L398 PolarHBondContact O-N 2.94Å; K396-L398 PolarHBondContact O-N 2.91Å; L398-N705 PolarHBondContact O-ND2 2.9Å
399	Y	98.1	Very high	97.7	Very high	74 Å²	74	43.6 Å²	43.6	29%	0.29	23%	0.233	S	C	.	.	H	α-helix	trans	-127.6	-10.8	-167.3	-58.2	-69.7	0	0	0	113.5	S102 R395 T401 Y702	S102-Y399 WeakPolarHBondContact CA-O 3.42Å; S102-Y399 WeakPolarHBondContact CB-O 3.06Å; R395-Y399 HydrophobicContact CG-CD2 3.89Å; R395-Y399 WeakPolarHBondContact O-CB 3.21Å; R395-Y399 VanDerWaalsContact O-CD2 3.3Å; R395-Y399 WeakPolarHBondContact O-CD2 3.48Å; R395-Y399 PolarHBondContact O-N 3.48Å; Y399-T401 PolarHBondContact O-N 2.85Å; Y399-T401 VanDerWaalsContact O-N 3.1Å; Y399-Y702 AromaticContact CD1-CD2 3.82Å; Y399-Y702 HydrophobicContact CD1-CD2 3.82Å; Y399-Y702 HydrophobicContact CD1-CE2 4.15Å; Y399-Y702 HydrophobicContact CE1-CD2 4.38Å; Y399-Y702 HydrophobicContact CE1-CE2 4.35Å
400	G	98.3	Very high	97.7	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.031	22%	0.223	C	C	.	.			trans	69.7	-2.2	-176	0	0	0	0	0	114.7	K396 R699 E701	K396-G400 WeakPolarHBondContact O-CA 3.46Å; K396-G400 PolarHBondContact O-N 3.41Å; G400-R699 VanDerWaalsContact C-CD 3.46Å; G400-R699 WeakPolarHBondContact O-CD 3.42Å; G400-E701 WeakPolarHBondContact CA-OE2 3.32Å
401	T	97.9	Very high	97.7	Very high	6 Å²	6	41 Å²	41	4%	0.037	22%	0.217	C	C	.	.			trans	-75.7	131.8	-178.2	57.1	0	0	0	0	111.4	E99 T100 S101 R395 Y399	E99-T401 CarbonylContact O-C 3.52Å; E99-T401 WeakPolarHBondContact O-CA 3.44Å; E99-T401 WeakPolarHBondContact O-CB 3.27Å; T100-T401 VanDerWaalsContact C-CG2 3.48Å; T100-T401 WeakPolarHBondContact O-CG2 3.31Å; S101-T401 VanDerWaalsContact C-CG2 3.47Å; R395-T401 WeakPolarHBondContact CD-OG1 3.43Å; R395-T401 WeakPolarHBondContact CG-OG1 3.39Å; R395-T401 PolarHBondContact NE-OG1 3.43Å; Y399-T401 PolarHBondContact O-N 2.85Å; Y399-T401 VanDerWaalsContact O-N 3.1Å
402	T	96.1	Very high	97.7	Very high	66 Å²	66	38.5 Å²	38.5	41%	0.405	21%	0.207	S	C	.	.	S	Bend	trans	-92.7	-19.5	-179.8	60.3	0	0	0	0	112.6	E99 R395	E99-T402 WeakPolarHBondContact CB-OG1 3.45Å; E99-T402 PolarHBondContact O-N 2.99Å; E99-T402 WeakPolarHBondContact OE2-CG2 3.43Å; E99-T402 PolarHBondContact OE2-OG1 3.11Å; R395-T402 PolarHBondContact NH2-O 3.21Å
403	S	95.8	Very high	97.8	Very high	60 Å²	60	38.6 Å²	38.6	42%	0.42	21%	0.208	S	C	.	.	S	Bend	trans	-132.3	163.7	176.8	-170.7	0	0	0	0	111.1	E99	E99-S403 PolarHBondContact O-N 2.85Å
404	E	94.4	Very high	97.8	Very high	37 Å²	37	38.3 Å²	38.3	17%	0.173	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-82.8	153	168.1	-58.9	-172.9	137.9	0	0	110.7	T100 R395 R410	T100-E404 WeakPolarHBondContact CG2-O 3.45Å; R395-E404 IonicContact NH1-OE1 3.03Å; E404-R410 IonicContact OE2-CZ 2.88Å; E404-R410 IonicContact OE2-NH1 2.92Å; E404-R410 PolarHBondContact OE2-NH1 3.47Å; E404-R410 IonicContact OE2-NH2 2.67Å
405	T	94.9	Very high	97.8	Very high	48 Å²	48	38.2 Å²	38.2	29%	0.294	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-58.6	155	168.9	52.3	0	0	0	0	110.9	T407 R410	T405-T407 PolarHBondContact O-N 2.98Å; T405-R410 PolarHBondContact O-NH1 3.11Å; T405-R410 WeakPolarHBondContact OG1-CG 3.39Å
406	A	97.8	Very high	97.8	Very high	41 Å²	41	38.1 Å²	38.1	34%	0.339	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-52.2	140.6	-178.5	0	0	0	0	0	111.7	W408 R409 R410	A406-W408 VanDerWaalsContact C-N 3.27Å; A406-W408 HydrophobicContact CB-CG 4.43Å; A406-W408 PolarHBondContact O-N 2.75Å; A406-R409 HydrophobicContact CB-CG 4.23Å; A406-R409 WeakPolarHBondContact O-CB 3.32Å; A406-R409 PolarHBondContact O-N 2.76Å; A406-R410 PolarHBondContact O-N 3.44Å
407	T	97.9	Very high	97.8	Very high	26 Å²	26	35.8 Å²	35.8	16%	0.16	20%	0.201	C	C	.	.	H	α-helix	trans	-52	-46.7	-177	-58.3	0	0	0	0	111.9	E146 T405 R409 R410 C411	E146-T407 HydrophobicContact CG-CG2 3.84Å; E146-T407 PolarHBondContact OE1-OG1 2.95Å; E146-T407 PolarHBondContact OE2-OG1 3.23Å; T405-T407 PolarHBondContact O-N 2.98Å; T407-R409 VanDerWaalsContact C-N 3.28Å; T407-R409 PolarHBondContact O-N 3.14Å; T407-R410 PolarHBondContact O-N 3.23Å; T407-R410 PolarHBondContact OG1-NH2 2.99Å; T407-C411 WeakPolarHBondContact O-CB 3.25Å; T407-C411 PolarHBondContact O-N 3.27Å; T407-C411 PolarHBondContact O-SG 3.33Å
408	W	98.4	Very high	97.8	Very high	64 Å²	64	37.6 Å²	37.6	24%	0.242	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-34	178.9	70.5	-103.3	0	0	0	113.4	E115 V116 K119 Y140 I144 A406 C411 A412	E115-W408 HydrophobicContact CB-CH2 4.49Å; E115-W408 HydrophobicContact CB-CZ3 4.1Å; E115-W408 WeakPolarHBondContact O-CZ3 3.09Å; V116-W408 HydrophobicContact CG2-CH2 3.92Å; K119-W408 HydrophobicContact CB-CE3 3.64Å; K119-W408 HydrophobicContact CB-CZ3 3.72Å; K119-W408 HydrophobicContact CD-CD2 3.73Å; K119-W408 HydrophobicContact CD-CE3 3.66Å; K119-W408 HydrophobicContact CD-CG 4.25Å; K119-W408 HydrophobicContact CD-CH2 4.3Å; K119-W408 HydrophobicContact CD-CZ2 4.36Å; K119-W408 HydrophobicContact CD-CZ3 3.96Å; K119-W408 HydrophobicContact CG-CD2 4.29Å; K119-W408 HydrophobicContact CG-CE3 3.87Å; K119-W408 HydrophobicContact CG-CZ3 4.3Å; Y140-W408 WeakPolarHBondContact OH-CB 3.39Å; I144-W408 HydrophobicContact CG2-CB 4.43Å; A406-W408 VanDerWaalsContact C-N 3.27Å; A406-W408 HydrophobicContact CB-CG 4.43Å; A406-W408 PolarHBondContact O-N 2.75Å; W408-C411 PolarHBondContact O-N 2.91Å; W408-A412 WeakPolarHBondContact O-CB 3.18Å; W408-A412 PolarHBondContact O-N 3.45Å
409	R	98.4	Very high	97.8	Very high	49 Å²	49	37.4 Å²	37.4	19%	0.185	21%	0.207	C	C	.	.	H	α-helix	trans	-67.5	-49.1	177	-72	-178.2	176	-78.4	1.2	110.6	D112 E115 A406 T407 C411 A412 N413	D112-R409 VanDerWaalsContact CA-NH1 3.34Å; D112-R409 PolarHBondContact O-NH1 3.46Å; D112-R409 IonicContact OD1-NH1 3.07Å; E115-R409 VanDerWaalsContact OE2-CB 3.3Å; E115-R409 WeakPolarHBondContact OE2-CB 3.41Å; E115-R409 WeakPolarHBondContact OE2-CD 3.49Å; E115-R409 WeakPolarHBondContact OE2-CG 3.35Å; E115-R409 IonicContact OE2-CZ 2.68Å; E115-R409 IonicContact OE2-NE 3.67Å; E115-R409 IonicContact OE2-NH1 2.78Å; E115-R409 PolarHBondContact OE2-NH1 2.79Å; A406-R409 HydrophobicContact CB-CG 4.23Å; A406-R409 WeakPolarHBondContact O-CB 3.32Å; A406-R409 PolarHBondContact O-N 2.76Å; T407-R409 VanDerWaalsContact C-N 3.28Å; T407-R409 PolarHBondContact O-N 3.14Å; R409-C411 VanDerWaalsContact C-N 3.27Å; R409-C411 PolarHBondContact O-N 3.03Å; R409-A412 PolarHBondContact O-N 3.14Å; R409-N413 WeakPolarHBondContact O-CB 3.43Å; R409-N413 PolarHBondContact O-N 2.97Å; R409-N413 PolarHBondContact O-ND2 2.79Å
410	R	98.2	Very high	97.8	Very high	65 Å²	65	37.1 Å²	37.1	25%	0.245	21%	0.209	C	C	.	.	H	α-helix	trans	-58.4	-41.9	176	-61.2	-173.4	-53.2	-122.9	6.9	111.3	E146 E404 T405 A406 T407 Y414	E146-R410 IonicContact OE1-NH2 3.27Å; E404-R410 IonicContact OE2-CZ 2.88Å; E404-R410 IonicContact OE2-NH1 2.92Å; E404-R410 PolarHBondContact OE2-NH1 3.47Å; E404-R410 IonicContact OE2-NH2 2.67Å; T405-R410 PolarHBondContact O-NH1 3.11Å; T405-R410 WeakPolarHBondContact OG1-CG 3.39Å; A406-R410 PolarHBondContact O-N 3.44Å; T407-R410 PolarHBondContact O-N 3.23Å; T407-R410 PolarHBondContact OG1-NH2 2.99Å; R410-Y414 WeakPolarHBondContact O-CB 3.14Å; R410-Y414 PolarHBondContact O-N 3.05Å
411	C	98.7	Very high	97.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-68	-44.8	178.6	-64.3	0	0	0	0	112.7	Y140 C143 I144 T407 W408 R409 N413 Y414 V415	Y140-C411 HydrophobicContact CD2-CB 3.9Å; Y140-C411 HydrophobicContact CE2-CB 3.88Å; C143-C411 HydrophobicContact CB-CB 3.6Å; C143-C411 WeakPolarHBondContact CB-SG 3.31Å; C143-C411 PolarHBondContact O-SG 3.07Å; C143-C411 WeakPolarHBondContact SG-CA 3.47Å; C143-C411 WeakPolarHBondContact SG-CB 3.4Å; C143-C411 CovalentContact SG-SG 2.03Å; C143-C411 PolarHBondContact SG-SG 3.26Å; I144-C411 HydrophobicContact CG2-CB 3.72Å; T407-C411 WeakPolarHBondContact O-CB 3.25Å; T407-C411 PolarHBondContact O-N 3.27Å; T407-C411 PolarHBondContact O-SG 3.33Å; W408-C411 PolarHBondContact O-N 2.91Å; R409-C411 VanDerWaalsContact C-N 3.27Å; R409-C411 PolarHBondContact O-N 3.03Å; C411-N413 VanDerWaalsContact C-N 3.35Å; C411-N413 PolarHBondContact O-N 3.35Å; C411-Y414 PolarHBondContact O-N 3.48Å; C411-V415 WeakPolarHBondContact O-CG2 3.32Å; C411-V415 PolarHBondContact O-N 3.38Å
412	A	98.8	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-47.7	175.7	0	0	0	0	0	111.3	L118 L122 Y140 W408 R409 Y414 V415 N416	L118-A412 HydrophobicContact CB-CB 3.91Å; L122-A412 HydrophobicContact CD1-CB 4.34Å; Y140-A412 HydrophobicContact CE2-CB 4.15Å; W408-A412 WeakPolarHBondContact O-CB 3.18Å; W408-A412 PolarHBondContact O-N 3.45Å; R409-A412 PolarHBondContact O-N 3.14Å; A412-Y414 PolarHBondContact O-N 2.99Å; A412-V415 PolarHBondContact O-N 3.03Å; A412-N416 WeakPolarHBondContact O-CB 3.24Å; A412-N416 PolarHBondContact O-N 3.05Å
413	N	98.5	Very high	97.9	Very high	65 Å²	65	34.8 Å²	34.8	35%	0.348	19%	0.193	S	C	.	.	H	α-helix	trans	-63.6	-39.7	175.9	-74.5	-25.8	0	0	0	112.8	E115 R409 C411 N416 G417	E115-N413 WeakPolarHBondContact CG-OD1 3.47Å; E115-N413 PolarHBondContact OE1-ND2 3.29Å; R409-N413 WeakPolarHBondContact O-CB 3.43Å; R409-N413 PolarHBondContact O-N 2.97Å; R409-N413 PolarHBondContact O-ND2 2.79Å; C411-N413 VanDerWaalsContact C-N 3.35Å; C411-N413 PolarHBondContact O-N 3.35Å; N413-N416 PolarHBondContact O-N 3.13Å; N413-G417 PolarHBondContact O-N 2.7Å
414	Y	98.7	Very high	98	Very high	53 Å²	53	32 Å²	32	21%	0.208	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-45.8	178.1	-178.9	-98.1	0	0	0	111.6	L139 R410 C411 A412 G417 N418 Y507 I511 N514	L139-Y414 HydrophobicContact CD1-CE1 4.23Å; L139-Y414 HydrophobicContact CD2-CD1 4.36Å; L139-Y414 HydrophobicContact CD2-CE1 4.07Å; L139-Y414 HydrophobicContact CG-CE1 4.36Å; R410-Y414 WeakPolarHBondContact O-CB 3.14Å; R410-Y414 PolarHBondContact O-N 3.05Å; C411-Y414 PolarHBondContact O-N 3.48Å; A412-Y414 PolarHBondContact O-N 2.99Å; Y414-G417 PolarHBondContact O-N 2.94Å; Y414-N418 VanDerWaalsContact CE2-ND2 3.28Å; Y414-N418 WeakPolarHBondContact CE2-ND2 3.31Å; Y414-N418 PolarHBondContact O-N 3.42Å; Y414-N418 PolarHBondContact O-ND2 3.06Å; Y414-Y507 HydrophobicContact CD1-CE2 4.14Å; Y414-Y507 HydrophobicContact CE1-CE2 4.09Å; Y414-I511 HydrophobicContact CE1-CG2 3.84Å; Y414-I511 HydrophobicContact CE2-CG2 4.21Å; Y414-I511 VanDerWaalsContact OH-CA 3.27Å; Y414-I511 WeakPolarHBondContact OH-CA 3.2Å; Y414-I511 WeakPolarHBondContact OH-CB 3.45Å; Y414-I511 VanDerWaalsContact OH-CG2 3.3Å; Y414-I511 WeakPolarHBondContact OH-CG2 3.36Å; Y414-N514 PolarHBondContact OH-ND2 3.19Å
415	V	98.8	Very high	98.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.4	-43.7	176.3	-176.8	0	0	0	0	110.7	L122 A136 L139 C411 A412 G417 N418 M419 V423	L122-V415 HydrophobicContact CD1-CB 4.31Å; L122-V415 HydrophobicContact CD2-CG1 4.26Å; A136-V415 HydrophobicContact CB-CG1 3.83Å; L139-V415 HydrophobicContact CB-CG2 4.07Å; L139-V415 HydrophobicContact CD2-CB 4.47Å; L139-V415 HydrophobicContact CD2-CG1 4.37Å; L139-V415 HydrophobicContact CD2-CG2 3.94Å; L139-V415 HydrophobicContact CG-CG2 3.83Å; C411-V415 WeakPolarHBondContact O-CG2 3.32Å; C411-V415 PolarHBondContact O-N 3.38Å; A412-V415 PolarHBondContact O-N 3.03Å; V415-G417 VanDerWaalsContact C-N 3.32Å; V415-G417 PolarHBondContact O-N 3.09Å; V415-N418 PolarHBondContact O-N 3.33Å; V415-M419 HydrophobicContact CG1-CB 4.48Å; V415-M419 WeakPolarHBondContact O-CB 3.44Å; V415-M419 PolarHBondContact O-N 3.49Å; V415-V423 HydrophobicContact CB-CG2 4.46Å; V415-V423 HydrophobicContact CG1-CG2 3.73Å
416	N	98.7	Very high	98.4	Very high	16 Å²	16	30 Å²	30	9%	0.086	16%	0.159	C	C	.	.	H	α-helix	trans	-57.2	-44.1	176.1	-170.1	33.8	0	0	0	112.1	L118 A412 N413 N418 E420 V423 A540	L118-N416 HydrophobicContact CD1-CB 3.96Å; A412-N416 WeakPolarHBondContact O-CB 3.24Å; A412-N416 PolarHBondContact O-N 3.05Å; N413-N416 PolarHBondContact O-N 3.13Å; N416-N418 VanDerWaalsContact C-N 3.34Å; N416-N418 PolarHBondContact O-N 3.05Å; N416-E420 WeakPolarHBondContact O-CA 3.21Å; N416-E420 WeakPolarHBondContact O-CB 3.34Å; N416-E420 PolarHBondContact O-N 3.25Å; N416-E420 VanDerWaalsContact O-N 3.12Å; N416-V423 HydrophobicContact CB-CB 4.35Å; N416-V423 HydrophobicContact CB-CG1 3.95Å; N416-V423 WeakPolarHBondContact OD1-CG1 3.13Å; N416-A540 PolarHBondContact ND2-O 3.45Å
417	G	97.9	Very high	98.4	Very high	58 Å²	58	28.3 Å²	28.3	60%	0.598	14%	0.144	S	C	*	.	H	α-helix	trans	-71.7	-20.8	179.9	0	0	0	0	0	115.3	N413 Y414 V415	N413-G417 PolarHBondContact O-N 2.7Å; Y414-G417 PolarHBondContact O-N 2.94Å; V415-G417 VanDerWaalsContact C-N 3.32Å; V415-G417 PolarHBondContact O-N 3.09Å
418	N	98.4	Very high	98.4	Very high	54 Å²	54	27.4 Å²	27.4	29%	0.289	14%	0.139	S	C	.	.	H	α-helix	trans	-103.8	-20.2	179.5	-71.6	-90.8	0	0	0	113.2	Y414 V415 N416 N514	Y414-N418 VanDerWaalsContact CE2-ND2 3.28Å; Y414-N418 WeakPolarHBondContact CE2-ND2 3.31Å; Y414-N418 PolarHBondContact O-N 3.42Å; Y414-N418 PolarHBondContact O-ND2 3.06Å; V415-N418 PolarHBondContact O-N 3.33Å; N416-N418 VanDerWaalsContact C-N 3.34Å; N416-N418 PolarHBondContact O-N 3.05Å; N418-N514 WeakPolarHBondContact OD1-CB 3.15Å
419	M	98.5	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-134	48.4	-177.9	-58.7	-170.5	74.8	0	0	110.8	A132 K135 A136 L139 V415 N421 A422 V423 Y497 Y502	A132-M419 WeakPolarHBondContact O-CE 2.99Å; K135-M419 HydrophobicContact CB-CE 3.87Å; K135-M419 HydrophobicContact CB-SD 4.49Å; A136-M419 VanDerWaalsContact CA-SD 3.55Å; A136-M419 HydrophobicContact CB-CE 4.23Å; A136-M419 HydrophobicContact CB-SD 3.87Å; L139-M419 HydrophobicContact CD2-SD 4.39Å; V415-M419 HydrophobicContact CG1-CB 4.48Å; V415-M419 WeakPolarHBondContact O-CB 3.44Å; V415-M419 PolarHBondContact O-N 3.49Å; M419-N421 VanDerWaalsContact C-N 3.25Å; M419-N421 PolarHBondContact O-N 3.26Å; M419-N421 VanDerWaalsContact O-N 3.14Å; M419-A422 HydrophobicContact CB-CB 4.22Å; M419-A422 HydrophobicContact CE-CB 4.29Å; M419-A422 PolarHBondContact O-N 3.03Å; M419-V423 PolarHBondContact O-N 3.43Å; M419-Y497 VanDerWaalsContact C-OH 3.26Å; M419-Y497 WeakPolarHBondContact CA-OH 3.46Å; M419-Y497 HydrophobicContact CB-CE1 4.08Å; M419-Y497 HydrophobicContact CE-CD1 3.82Å; M419-Y497 HydrophobicContact CE-CD2 3.76Å; M419-Y497 HydrophobicContact CE-CE1 4.2Å; M419-Y497 HydrophobicContact CE-CE2 4.14Å; M419-Y497 HydrophobicContact CE-CG 3.58Å; M419-Y497 HydrophobicContact CG-CD1 4.31Å; M419-Y497 HydrophobicContact CG-CE1 4.05Å; M419-Y502 HydrophobicContact SD-CE2 3.75Å
420	E	98	Very high	98.1	Very high	68 Å²	68	30.1 Å²	30.1	32%	0.318	17%	0.167	S	C	.	.	H	α-helix	trans	-55.8	-33.2	-169.3	68.9	-178.7	-173.3	0	0	114.6	N416 G424 G538	N416-E420 WeakPolarHBondContact O-CA 3.21Å; N416-E420 WeakPolarHBondContact O-CB 3.34Å; N416-E420 PolarHBondContact O-N 3.25Å; N416-E420 VanDerWaalsContact O-N 3.12Å; E420-G424 VanDerWaalsContact O-CA 3.27Å; E420-G424 WeakPolarHBondContact O-CA 3.36Å; E420-G424 PolarHBondContact O-N 3.33Å; E420-G538 PolarHBondContact OE2-N 2.86Å
421	N	98.3	Very high	98	Very high	26 Å²	26	29.2 Å²	29.2	14%	0.139	17%	0.174	C	C	.	.	H	α-helix	trans	-79	-38.6	177.7	-69.3	-34.6	0	0	0	111.8	M419 R425 I486 L493 E496 Y497	M419-N421 VanDerWaalsContact C-N 3.25Å; M419-N421 PolarHBondContact O-N 3.26Å; M419-N421 VanDerWaalsContact O-N 3.14Å; N421-R425 WeakPolarHBondContact O-CB 3.28Å; N421-R425 PolarHBondContact O-N 3.23Å; N421-I486 HydrophobicContact CB-CG2 3.87Å; N421-L493 HydrophobicContact CB-CD1 3.56Å; N421-E496 PolarHBondContact ND2-OE2 3.3Å; N421-Y497 PolarHBondContact N-OH 3.26Å
422	A	98.5	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.4	-43.9	176.8	0	0	0	0	0	111.4	A132 A136 M419 R425 L426 Y497	A132-A422 HydrophobicContact CB-CB 4.46Å; A136-A422 HydrophobicContact CB-CB 4.36Å; M419-A422 HydrophobicContact CB-CB 4.22Å; M419-A422 HydrophobicContact CE-CB 4.29Å; M419-A422 PolarHBondContact O-N 3.03Å; A422-R425 WeakPolarHBondContact O-CB 3.07Å; A422-L426 PolarHBondContact O-N 3.28Å; A422-Y497 HydrophobicContact CB-CD2 4.46Å; A422-Y497 HydrophobicContact CB-CE2 3.79Å
423	V	98.6	Very high	97.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-73.5	-40	176.7	-178.5	0	0	0	0	111.2	L118 L122 A136 V415 N416 M419 R425 L426 Y427	L118-V423 HydrophobicContact CD1-CG1 4.28Å; L118-V423 HydrophobicContact CD2-CG1 3.51Å; 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 4.46Å; V415-V423 HydrophobicContact CG1-CG2 3.73Å; N416-V423 HydrophobicContact CB-CB 4.35Å; N416-V423 HydrophobicContact CB-CG1 3.95Å; N416-V423 WeakPolarHBondContact OD1-CG1 3.13Å; M419-V423 PolarHBondContact O-N 3.43Å; V423-R425 VanDerWaalsContact C-N 3.26Å; V423-R425 PolarHBondContact O-N 3.37Å; V423-L426 PolarHBondContact O-N 2.81Å; V423-L426 VanDerWaalsContact O-N 3.16Å; V423-Y427 WeakPolarHBondContact O-CB 3.41Å; V423-Y427 PolarHBondContact O-N 3.4Å
424	G	98.4	Very high	96.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.9	-40.9	173.9	0	0	0	0	0	112.3	E420 Y427 V428	E420-G424 VanDerWaalsContact O-CA 3.27Å; E420-G424 WeakPolarHBondContact O-CA 3.36Å; E420-G424 PolarHBondContact O-N 3.33Å; G424-Y427 PolarHBondContact O-N 3.04Å; G424-V428 WeakPolarHBondContact O-CG1 3.39Å; G424-V428 WeakPolarHBondContact O-CG2 3.5Å; G424-V428 PolarHBondContact O-N 3.2Å
425	R	98.3	Very high	95.4	Very high	34 Å²	34	36.9 Å²	36.9	13%	0.128	23%	0.231	C	C	.	.	H	α-helix	trans	-57.1	-54.2	173.3	-172.2	-159.9	170.8	109.8	0.2	111.7	N421 A422 V423 Y427 V428 E429 I486 I487 D490 L493	N421-R425 WeakPolarHBondContact O-CB 3.28Å; N421-R425 PolarHBondContact O-N 3.23Å; A422-R425 WeakPolarHBondContact O-CB 3.07Å; V423-R425 VanDerWaalsContact C-N 3.26Å; V423-R425 PolarHBondContact O-N 3.37Å; R425-Y427 VanDerWaalsContact C-N 3.28Å; R425-Y427 PolarHBondContact O-N 3.27Å; R425-V428 WeakPolarHBondContact O-CG2 3.23Å; R425-V428 PolarHBondContact O-N 3.04Å; R425-E429 IonicContact CZ-OE1 2.69Å; R425-E429 IonicContact NE-OE1 3.41Å; R425-E429 PolarHBondContact NE-OE1 3.41Å; R425-E429 IonicContact NH2-OE1 2.71Å; R425-E429 PolarHBondContact NH2-OE1 3.36Å; R425-E429 VanDerWaalsContact NH2-OE1 3.11Å; R425-E429 WeakPolarHBondContact O-CG 3.43Å; R425-E429 PolarHBondContact O-N 2.93Å; R425-E429 VanDerWaalsContact O-N 3.13Å; R425-I486 HydrophobicContact CB-CB 4.47Å; R425-I486 HydrophobicContact CB-CD1 4.31Å; R425-I486 HydrophobicContact CB-CG1 4.15Å; R425-I486 VanDerWaalsContact CD-O 3.26Å; R425-I486 WeakPolarHBondContact CD-O 3.37Å; R425-I486 VanDerWaalsContact CG-O 3.29Å; R425-I486 WeakPolarHBondContact CG-O 3.36Å; R425-I486 PolarHBondContact NH1-O 3.28Å; R425-I487 HydrophobicContact CB-CD1 4.38Å; R425-I487 HydrophobicContact CG-CD1 3.46Å; R425-I487 VanDerWaalsContact CG-CD1 3.46Å; R425-I487 HydrophobicContact CG-CG1 4.4Å; R425-I487 PolarHBondContact NH1-O 2.8Å; R425-I487 PolarHBondContact NH2-O 3.03Å; R425-D490 IonicContact CZ-OD1 2.73Å; R425-D490 IonicContact NH1-OD1 3.81Å; R425-D490 PolarHBondContact NH1-OD1 3.4Å; R425-D490 IonicContact NH2-OD1 2.91Å; R425-L493 HydrophobicContact CB-CD2 4.5Å
426	L	98.3	Very high	94.9	Very high	11 Å²	11	37.7 Å²	37.7	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-40.3	-180	-66.7	172.5	0	0	0	111.9	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 4.19Å; V133-L426 HydrophobicContact CG1-CD2 3.95Å; V133-L426 HydrophobicContact CG1-CG 4.48Å; V133-L426 HydrophobicContact CG2-CD2 4.22Å; V133-L426 HydrophobicContact CG2-CG 4.45Å; A422-L426 PolarHBondContact O-N 3.28Å; V423-L426 PolarHBondContact O-N 2.81Å; V423-L426 VanDerWaalsContact O-N 3.16Å; L426-A430 WeakPolarHBondContact O-CB 3.2Å; L426-A430 PolarHBondContact O-N 3.42Å
427	Y	98.4	Very high	94.5	Very high	5 Å²	5	38.8 Å²	38.8	2%	0.02	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-48.1	179.5	175.9	-101.8	0	0	0	112.2	L114 I117 L118 V423 G424 R425 E429 A430 A431 A540 A557 G558	L114-Y427 HydrophobicContact CD1-CD2 4.43Å; L114-Y427 HydrophobicContact CD1-CE1 4.39Å; L114-Y427 HydrophobicContact CD1-CE2 3.75Å; L114-Y427 HydrophobicContact CG-CD2 4.27Å; L114-Y427 HydrophobicContact CG-CE2 3.71Å; I117-Y427 HydrophobicContact CB-CD2 4.43Å; I117-Y427 HydrophobicContact CB-CE2 4.43Å; I117-Y427 HydrophobicContact CD1-CE2 4.03Å; I117-Y427 HydrophobicContact CG2-CD2 3.9Å; I117-Y427 HydrophobicContact CG2-CE2 4.21Å; L118-Y427 HydrophobicContact CD2-CD2 4.15Å; V423-Y427 WeakPolarHBondContact O-CB 3.41Å; V423-Y427 PolarHBondContact O-N 3.4Å; G424-Y427 PolarHBondContact O-N 3.04Å; R425-Y427 VanDerWaalsContact C-N 3.28Å; R425-Y427 PolarHBondContact O-N 3.27Å; Y427-E429 PolarHBondContact O-N 3.13Å; Y427-A430 PolarHBondContact O-N 2.65Å; Y427-A430 VanDerWaalsContact O-N 3.16Å; Y427-A431 HydrophobicContact CD2-CB 4.25Å; Y427-A431 HydrophobicContact CE2-CB 3.84Å; Y427-A431 WeakPolarHBondContact O-CB 3.48Å; Y427-A431 PolarHBondContact O-N 3.38Å; Y427-A540 HydrophobicContact CD1-CB 3.89Å; Y427-A540 HydrophobicContact CD2-CB 4.23Å; Y427-A540 HydrophobicContact CG-CB 3.65Å; Y427-A557 HydrophobicContact CD1-CB 4.35Å; Y427-A557 HydrophobicContact CE1-CB 3.94Å; Y427-G558 WeakPolarHBondContact OH-CA 3.21Å
428	V	97.3	Very high	94.2	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-70	-34.3	-177.5	-60.8	0	0	0	0	112.4	G424 R425 A430 F432 Y482 I487 A539 A557	G424-V428 WeakPolarHBondContact O-CG1 3.39Å; G424-V428 WeakPolarHBondContact O-CG2 3.5Å; G424-V428 PolarHBondContact O-N 3.2Å; R425-V428 WeakPolarHBondContact O-CG2 3.23Å; R425-V428 PolarHBondContact O-N 3.04Å; V428-A430 PolarHBondContact O-N 2.62Å; V428-F432 HydrophobicContact CB-CB 3.97Å; V428-F432 HydrophobicContact CG1-CB 4.14Å; V428-F432 PolarHBondContact O-N 2.93Å; V428-F432 VanDerWaalsContact O-N 3.17Å; V428-Y482 HydrophobicContact CB-CD1 3.97Å; V428-Y482 HydrophobicContact CB-CE1 4.24Å; V428-Y482 HydrophobicContact CB-CG 4.39Å; V428-Y482 HydrophobicContact CG1-CD1 3.68Å; V428-Y482 HydrophobicContact CG1-CE1 4.42Å; V428-Y482 HydrophobicContact CG1-CG 3.98Å; V428-Y482 HydrophobicContact CG2-CD1 4.08Å; V428-Y482 HydrophobicContact CG2-CD2 4.29Å; V428-Y482 HydrophobicContact CG2-CE1 4.28Å; V428-Y482 HydrophobicContact CG2-CE2 4.49Å; V428-Y482 HydrophobicContact CG2-CG 4.1Å; V428-I487 HydrophobicContact CG2-CD1 3.56Å; V428-I487 HydrophobicContact CG2-CG1 4.06Å; V428-A539 HydrophobicContact CG1-CB 3.86Å; V428-A557 HydrophobicContact CG1-CB 3.74Å
429	E	95.9	Very high	94	Very high	106 Å²	106	41.2 Å²	41.2	50%	0.495	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-33.6	171.8	-72.7	176.6	173.3	0	0	111.8	R425 Y427 I487	R425-E429 IonicContact CZ-OE1 2.69Å; R425-E429 IonicContact NE-OE1 3.41Å; R425-E429 PolarHBondContact NE-OE1 3.41Å; R425-E429 IonicContact NH2-OE1 2.71Å; R425-E429 PolarHBondContact NH2-OE1 3.36Å; R425-E429 VanDerWaalsContact NH2-OE1 3.11Å; R425-E429 WeakPolarHBondContact O-CG 3.43Å; R425-E429 PolarHBondContact O-N 2.93Å; R425-E429 VanDerWaalsContact O-N 3.13Å; Y427-E429 PolarHBondContact O-N 3.13Å; E429-I487 HydrophobicContact CG-CD1 3.66Å
430	A	96.1	Very high	93.9	Very high	64 Å²	64	41.2 Å²	41.2	53%	0.529	24%	0.238	S	C	.	.	H	α-helix	trans	-87.6	-37.1	-178.3	0	0	0	0	0	114.2	I117 V121 L426 Y427 V428	I117-A430 HydrophobicContact CG2-CB 4.1Å; V121-A430 HydrophobicContact CG1-CB 3.89Å; L426-A430 WeakPolarHBondContact O-CB 3.2Å; L426-A430 PolarHBondContact O-N 3.42Å; Y427-A430 PolarHBondContact O-N 2.65Å; Y427-A430 VanDerWaalsContact O-N 3.16Å; V428-A430 PolarHBondContact O-N 2.62Å
431	A	94.9	Very high	93.8	Very high	46 Å²	46	41.4 Å²	41.4	38%	0.38	24%	0.239	S	C	.	.	H	α-helix	trans	-129.4	-10.3	-159.7	0	0	0	0	0	115.7	I117 Y427	I117-A431 HydrophobicContact CD1-CB 3.89Å; I117-A431 HydrophobicContact CG2-CB 4.27Å; Y427-A431 HydrophobicContact CD2-CB 4.25Å; Y427-A431 HydrophobicContact CE2-CB 3.84Å; Y427-A431 WeakPolarHBondContact O-CB 3.48Å; Y427-A431 PolarHBondContact O-N 3.38Å
432	F	93.9	Very high	93.7	Very high	28 Å²	28	44.5 Å²	44.5	12%	0.123	26%	0.256	C	S	.	.			trans	-113.5	119.4	-173.5	-172.2	-107.5	0	0	0	112.6	V428 Y482 A557 L560	V428-F432 HydrophobicContact CB-CB 3.97Å; V428-F432 HydrophobicContact CG1-CB 4.14Å; V428-F432 PolarHBondContact O-N 2.93Å; V428-F432 VanDerWaalsContact O-N 3.17Å; F432-Y482 HydrophobicContact CD1-CD1 4.04Å; F432-Y482 AromaticContact CD1-CE1 3.8Å; F432-Y482 HydrophobicContact CD1-CE1 3.8Å; F432-Y482 HydrophobicContact CE1-CD1 4.22Å; F432-Y482 HydrophobicContact CE1-CE1 4.01Å; F432-A557 HydrophobicContact CB-CB 4.1Å; F432-A557 HydrophobicContact CD1-CB 4.38Å; F432-A557 HydrophobicContact CD2-CB 3.6Å; F432-A557 HydrophobicContact CE2-CB 4.11Å; F432-A557 HydrophobicContact CG-CB 3.76Å; F432-L560 HydrophobicContact CE2-CB 3.88Å; F432-L560 HydrophobicContact CE2-CD1 3.78Å; F432-L560 HydrophobicContact CE2-CG 4.44Å; F432-L560 HydrophobicContact CZ-CD1 3.94Å
433	A	88.1	Confident	93.7	Very high	61 Å²	61	44.7 Å²	44.7	50%	0.504	26%	0.257	S	S	.	.			trans	-80.3	124	175.8	0	0	0	0	0	110.9	E435 S436	A433-E435 VanDerWaalsContact C-N 3.29Å; A433-E435 PolarHBondContact O-N 3.43Å; A433-S436 VanDerWaalsContact O-CB 3.23Å; A433-S436 WeakPolarHBondContact O-CB 3.27Å; A433-S436 PolarHBondContact O-N 2.79Å; A433-S436 PolarHBondContact O-OG 3.37Å
434	G	74	Confident	93.7	Very high	45 Å²	45	44.8 Å²	44.8	46%	0.464	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.3	-175.7	0	0	0	0	0	115.2	S436 K437	G434-S436 PolarHBondContact O-N 2.89Å; G434-K437 WeakPolarHBondContact O-CB 3.28Å; G434-K437 PolarHBondContact O-N 3.09Å; G434-K437 VanDerWaalsContact O-N 3.11Å
435	E	84.4	Confident	93.7	Very high	145 Å²	145	47.4 Å²	47.4	68%	0.678	28%	0.279	S	S	*	.	H	α-helix	trans	-61.8	-23.9	178.1	-64.3	-58.9	140.7	0	0	113.6	A433 K437 H438	A433-E435 VanDerWaalsContact C-N 3.29Å; A433-E435 PolarHBondContact O-N 3.43Å; E435-K437 PolarHBondContact O-N 2.95Å; E435-H438 PolarHBondContact O-N 2.96Å
436	S	88.7	Confident	93.7	Very high	18 Å²	18	47.8 Å²	47.8	13%	0.126	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-29.1	176	-65.3	0	0	0	0	112.3	A433 G434 V440	A433-S436 VanDerWaalsContact O-CB 3.23Å; A433-S436 WeakPolarHBondContact O-CB 3.27Å; A433-S436 PolarHBondContact O-N 2.79Å; A433-S436 PolarHBondContact O-OG 3.37Å; G434-S436 PolarHBondContact O-N 2.89Å; S436-V440 VanDerWaalsContact O-CG2 3.25Å; S436-V440 WeakPolarHBondContact O-CG2 3.4Å; S436-V440 PolarHBondContact O-N 3.17Å
437	K	89.9	Confident	93.7	Very high	38 Å²	38	47.2 Å²	47.2	17%	0.165	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-49.7	179.4	-169.8	178.5	179.2	-178.3	0	111	G434 E435 V439 V440 E441 I480 D484	G434-K437 WeakPolarHBondContact O-CB 3.28Å; G434-K437 PolarHBondContact O-N 3.09Å; G434-K437 VanDerWaalsContact O-N 3.11Å; E435-K437 PolarHBondContact O-N 2.95Å; K437-V439 PolarHBondContact O-N 3.22Å; K437-V440 PolarHBondContact O-N 2.6Å; K437-E441 WeakPolarHBondContact O-CG 3.44Å; K437-E441 PolarHBondContact O-N 3.02Å; K437-I480 HydrophobicContact CG-CB 4.4Å; K437-I480 HydrophobicContact CG-CG2 4.12Å; K437-D484 VanDerWaalsContact NZ-CG 3.31Å; K437-D484 IonicContact NZ-OD1 2.76Å; K437-D484 PolarHBondContact NZ-OD1 2.86Å; K437-D484 IonicContact NZ-OD2 3.8Å; K437-D484 PolarHBondContact NZ-OD2 3.43Å
438	H	91.9	Very high	93.8	Very high	108 Å²	108	48.4 Å²	48.4	50%	0.5	28%	0.284	S	S	.	.	H	α-helix	trans	-67.3	-36.3	-177	-66.7	-46.9	0	0	0	113.9	E435 V440 E441 D442	E435-H438 PolarHBondContact O-N 2.96Å; H438-V440 VanDerWaalsContact C-N 3.34Å; H438-E441 IonicContact CE1-OE2 2.88Å; H438-E441 IonicContact CG-OE2 3.46Å; H438-E441 IonicContact ND1-OE2 3.34Å; H438-E441 PolarHBondContact ND1-OE2 2.96Å; H438-E441 PolarHBondContact O-N 2.87Å; H438-D442 PolarHBondContact O-N 2.86Å
439	V	94.1	Very high	93.8	Very high	56 Å²	56	53.5 Å²	53.5	34%	0.339	31%	0.307	S	S	.	.	H	α-helix	trans	-68	-38.2	176.9	-178.1	0	0	0	0	110.8	K437 D442 L443 F565 A567	K437-V439 PolarHBondContact O-N 3.22Å; V439-D442 PolarHBondContact O-N 3.38Å; V439-L443 WeakPolarHBondContact O-CG 3.44Å; V439-L443 PolarHBondContact O-N 2.04Å; V439-L443 VanDerWaalsContact O-N 3.12Å; V439-F565 HydrophobicContact CB-CE2 4.21Å; V439-F565 HydrophobicContact CB-CZ 3.79Å; V439-F565 HydrophobicContact CG1-CE2 3.64Å; V439-F565 HydrophobicContact CG1-CZ 3.7Å; V439-A567 HydrophobicContact CG2-CB 4.41Å
440	V	95.6	Very high	94	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-72.9	-36.2	178.3	175.1	0	0	0	0	111.4	S436 K437 H438 D442 L443 I444 I480 L560 F565 I582	S436-V440 VanDerWaalsContact O-CG2 3.25Å; S436-V440 WeakPolarHBondContact O-CG2 3.4Å; S436-V440 PolarHBondContact O-N 3.17Å; K437-V440 PolarHBondContact O-N 2.6Å; H438-V440 VanDerWaalsContact C-N 3.34Å; V440-D442 VanDerWaalsContact C-N 3.3Å; V440-D442 PolarHBondContact O-N 3.07Å; V440-L443 PolarHBondContact O-N 2.87Å; V440-I444 HydrophobicContact CG1-CD1 3.92Å; V440-I444 HydrophobicContact CG1-CG1 4.45Å; V440-I444 WeakPolarHBondContact O-CG1 3.37Å; V440-I444 PolarHBondContact O-N 3.32Å; V440-I480 HydrophobicContact CB-CG2 3.95Å; V440-I480 HydrophobicContact CG1-CG1 4.5Å; V440-I480 HydrophobicContact CG1-CG2 3.74Å; V440-L560 HydrophobicContact CG1-CD2 4.08Å; V440-L560 HydrophobicContact CG2-CD1 4.27Å; V440-L560 HydrophobicContact CG2-CD2 3.88Å; V440-F565 HydrophobicContact CG2-CD1 4.19Å; V440-F565 HydrophobicContact CG2-CD2 4.17Å; V440-F565 HydrophobicContact CG2-CE1 4.1Å; V440-F565 HydrophobicContact CG2-CE2 4.07Å; V440-F565 HydrophobicContact CG2-CG 4.22Å; V440-F565 HydrophobicContact CG2-CZ 4.04Å; V440-I582 HydrophobicContact CG1-CD1 4.49Å
441	E	95.8	Very high	94.1	Very high	71 Å²	71	45.6 Å²	45.6	33%	0.332	26%	0.26	S	S	.	.	H	α-helix	trans	-53.3	-47.5	170.2	-76.3	167.5	176.3	0	0	111.3	K437 H438 I444 A445 I480	K437-E441 WeakPolarHBondContact O-CG 3.44Å; K437-E441 PolarHBondContact O-N 3.02Å; H438-E441 IonicContact CE1-OE2 2.88Å; H438-E441 IonicContact CG-OE2 3.46Å; H438-E441 IonicContact ND1-OE2 3.34Å; H438-E441 PolarHBondContact ND1-OE2 2.96Å; H438-E441 PolarHBondContact O-N 2.87Å; E441-I444 PolarHBondContact O-N 3.43Å; E441-A445 PolarHBondContact O-N 2.85Å; E441-I480 HydrophobicContact CB-CD1 4.09Å; E441-I480 HydrophobicContact CG-CD1 3.23Å
442	D	97.3	Very high	94.3	Very high	91 Å²	91	44.9 Å²	44.9	49%	0.487	25%	0.249	S	C	.	.	H	α-helix	trans	-65.9	-41.5	178.2	-174.7	64.9	0	0	0	112.5	H438 V439 V440 I444 A445 Q446	H438-D442 PolarHBondContact O-N 2.86Å; V439-D442 PolarHBondContact O-N 3.38Å; V440-D442 VanDerWaalsContact C-N 3.3Å; V440-D442 PolarHBondContact O-N 3.07Å; D442-I444 VanDerWaalsContact C-N 3.32Å; D442-I444 PolarHBondContact O-N 2.79Å; D442-A445 PolarHBondContact O-N 3.1Å; D442-Q446 VanDerWaalsContact O-CG 3.31Å; D442-Q446 WeakPolarHBondContact O-CG 3.03Å; D442-Q446 PolarHBondContact O-N 3.28Å; D442-Q446 PolarHBondContact OD2-NE2 3.1Å
443	L	98	Very high	94.5	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-41.1	174.6	-72.3	174.2	0	0	0	112.1	V439 V440 Q446 I447 F565 Y575 I578 I582	V439-L443 WeakPolarHBondContact O-CG 3.44Å; V439-L443 PolarHBondContact O-N 2.04Å; V439-L443 VanDerWaalsContact O-N 3.12Å; V440-L443 PolarHBondContact O-N 2.87Å; L443-Q446 PolarHBondContact O-N 3.3Å; L443-I447 WeakPolarHBondContact O-CD1 3.49Å; L443-I447 VanDerWaalsContact O-CG1 3.27Å; L443-I447 WeakPolarHBondContact O-CG1 3.46Å; L443-I447 PolarHBondContact O-N 3.06Å; L443-F565 HydrophobicContact CD1-CD2 4.32Å; L443-F565 HydrophobicContact CD1-CE2 4.25Å; L443-Y575 HydrophobicContact CD2-CD1 4.18Å; L443-Y575 HydrophobicContact CD2-CE1 3.59Å; L443-Y575 HydrophobicContact CD2-CE2 4.06Å; L443-I578 HydrophobicContact CD1-CG2 3.85Å; L443-I582 HydrophobicContact CB-CD1 3.95Å
444	I	98.4	Very high	95	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-45	176.7	-69.3	162.3	0	0	0	110.9	V440 E441 D442 Q446 I447 R448 E478 I480 I553 F555 I582	V440-I444 HydrophobicContact CG1-CD1 3.92Å; V440-I444 HydrophobicContact CG1-CG1 4.45Å; V440-I444 WeakPolarHBondContact O-CG1 3.37Å; V440-I444 PolarHBondContact O-N 3.32Å; E441-I444 PolarHBondContact O-N 3.43Å; D442-I444 VanDerWaalsContact C-N 3.32Å; D442-I444 PolarHBondContact O-N 2.79Å; I444-Q446 VanDerWaalsContact C-N 3.33Å; I444-Q446 PolarHBondContact O-N 2.99Å; I444-I447 PolarHBondContact O-N 3.26Å; I444-R448 VanDerWaalsContact O-CB 3.31Å; I444-R448 WeakPolarHBondContact O-CB 3.02Å; I444-R448 PolarHBondContact O-N 3.1Å; I444-E478 HydrophobicContact CD1-CB 4.3Å; I444-E478 HydrophobicContact CG2-CB 4.21Å; I444-E478 HydrophobicContact CG2-CG 4.48Å; I444-I480 HydrophobicContact CD1-CD1 3.47Å; I444-I480 VanDerWaalsContact CD1-CD1 3.47Å; I444-I480 HydrophobicContact CD1-CG1 3.63Å; I444-I553 HydrophobicContact CG2-CD1 4.05Å; 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	96.1	Very high	55 Å²	55	43 Å²	43	46%	0.455	22%	0.218	S	C	.	.	H	α-helix	trans	-58.7	-46.5	177.3	0	0	0	0	0	111.4	E441 D442 R448 E449	E441-A445 PolarHBondContact O-N 2.85Å; D442-A445 PolarHBondContact O-N 3.1Å; A445-R448 PolarHBondContact O-N 3.42Å; A445-E449 WeakPolarHBondContact O-CB 3.2Å; A445-E449 PolarHBondContact O-N 3.41Å
446	Q	98.6	Very high	96.8	Very high	42 Å²	42	42.2 Å²	42.2	20%	0.196	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-43.2	178.7	-68.8	178.6	46.4	0	0	112.9	D442 L443 I444 E449 V450 Y575	D442-Q446 VanDerWaalsContact O-CG 3.31Å; D442-Q446 WeakPolarHBondContact O-CG 3.03Å; D442-Q446 PolarHBondContact O-N 3.28Å; D442-Q446 PolarHBondContact OD2-NE2 3.1Å; L443-Q446 PolarHBondContact O-N 3.3Å; I444-Q446 VanDerWaalsContact C-N 3.33Å; I444-Q446 PolarHBondContact O-N 2.99Å; Q446-E449 PolarHBondContact O-N 2.96Å; Q446-V450 WeakPolarHBondContact O-CG2 3.35Å; Q446-V450 PolarHBondContact O-N 3.35Å; Q446-Y575 PolarHBondContact OE1-OH 3.35Å
447	I	98.9	Very high	97.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-72.4	-36.8	-177.8	-66.4	162.8	0	0	0	110.8	L443 I444 E449 V450 F451 G579 I582 I586 Q657 A661	L443-I447 WeakPolarHBondContact O-CD1 3.49Å; L443-I447 VanDerWaalsContact O-CG1 3.27Å; L443-I447 WeakPolarHBondContact O-CG1 3.46Å; L443-I447 PolarHBondContact O-N 3.06Å; I444-I447 PolarHBondContact O-N 3.26Å; I447-E449 VanDerWaalsContact C-N 3.33Å; I447-E449 PolarHBondContact O-N 2.96Å; I447-V450 PolarHBondContact O-N 3.23Å; I447-F451 PolarHBondContact O-N 3.39Å; I447-G579 VanDerWaalsContact CD1-CA 3.49Å; I447-G579 WeakPolarHBondContact CD1-O 3.34Å; I447-I582 HydrophobicContact CB-CG2 3.96Å; I447-I582 HydrophobicContact CD1-CB 3.76Å; I447-I582 HydrophobicContact CD1-CD1 4.1Å; I447-I582 HydrophobicContact CD1-CG2 3.68Å; I447-I582 HydrophobicContact CG1-CG2 4.44Å; I447-I582 HydrophobicContact CG2-CG2 4Å; I447-I586 HydrophobicContact CB-CD1 4.49Å; I447-I586 HydrophobicContact CG2-CD1 4Å; I447-Q657 HydrophobicContact CG2-CB 4.13Å; I447-A661 HydrophobicContact CG1-CB 3.99Å
448	R	98.8	Very high	97.5	Very high	29 Å²	29	45.1 Å²	45.1	11%	0.109	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-44	170.7	-173.9	-172.4	-56.5	-147.8	4.7	111.3	I444 A445 V450 F451 I452 A473 L474 I476 E478 I586	I444-R448 VanDerWaalsContact O-CB 3.31Å; I444-R448 WeakPolarHBondContact O-CB 3.02Å; I444-R448 PolarHBondContact O-N 3.1Å; A445-R448 PolarHBondContact O-N 3.42Å; R448-V450 VanDerWaalsContact C-N 3.35Å; R448-F451 WeakPolarHBondContact O-CB 3.38Å; R448-F451 PolarHBondContact O-N 3.06Å; R448-I452 HydrophobicContact CG-CD1 4.24Å; R448-I452 WeakPolarHBondContact O-CG1 3.43Å; R448-I452 PolarHBondContact O-N 3.23Å; R448-A473 WeakPolarHBondContact CD-O 3.17Å; R448-A473 PolarHBondContact NH1-O 2.88Å; R448-L474 PolarHBondContact NH1-O 3.35Å; R448-L474 VanDerWaalsContact NH1-O 3.1Å; R448-I476 PolarHBondContact NH1-O 3.08Å; R448-I476 PolarHBondContact NH2-O 2.89Å; R448-I476 VanDerWaalsContact NH2-O 3.08Å; R448-E478 IonicContact CZ-OE2 3.15Å; R448-E478 IonicContact NH2-OE2 3.83Å; R448-E478 PolarHBondContact NH2-OE2 2.83Å; R448-I586 HydrophobicContact CB-CD1 4.28Å
449	E	98.7	Very high	97.8	Very high	114 Å²	114	46.7 Å²	46.7	53%	0.533	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-44.8	176.2	-169.1	-174.8	170.7	0	0	111.1	A445 Q446 I447 F451 I452 Q453	A445-E449 WeakPolarHBondContact O-CB 3.2Å; A445-E449 PolarHBondContact O-N 3.41Å; Q446-E449 PolarHBondContact O-N 2.96Å; I447-E449 VanDerWaalsContact C-N 3.33Å; I447-E449 PolarHBondContact O-N 2.96Å; E449-F451 VanDerWaalsContact C-N 3.33Å; E449-F451 PolarHBondContact O-N 3.05Å; E449-I452 PolarHBondContact O-N 2.98Å; E449-Q453 HydrophobicContact CG-CG 4.45Å; E449-Q453 WeakPolarHBondContact O-CB 3.31Å; E449-Q453 VanDerWaalsContact O-CG 3.29Å; E449-Q453 WeakPolarHBondContact O-CG 3.4Å; E449-Q453 PolarHBondContact O-N 3.48Å; E449-Q453 PolarHBondContact OE1-NE2 3.34Å
450	V	98.8	Very high	98.1	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-38.2	176.5	167.7	0	0	0	0	112.4	Q446 I447 R448 T454 Q657 R660 A661	Q446-V450 WeakPolarHBondContact O-CG2 3.35Å; Q446-V450 PolarHBondContact O-N 3.35Å; I447-V450 PolarHBondContact O-N 3.23Å; R448-V450 VanDerWaalsContact C-N 3.35Å; V450-T454 VanDerWaalsContact O-CB 3.32Å; V450-T454 WeakPolarHBondContact O-CB 3.4Å; V450-T454 PolarHBondContact O-N 3.31Å; V450-T454 PolarHBondContact O-OG1 3.06Å; V450-Q657 HydrophobicContact CG1-CB 4.27Å; V450-Q657 WeakPolarHBondContact CG1-O 3.22Å; V450-R660 HydrophobicContact CG1-CB 3.64Å; V450-A661 HydrophobicContact CG2-CB 3.95Å
451	F	98.8	Very high	98.2	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-49.4	173.4	178.4	-90.2	0	0	0	110.7	I447 R448 E449 T454 L455 A473 I586 F590 W750	I447-F451 PolarHBondContact O-N 3.39Å; R448-F451 WeakPolarHBondContact O-CB 3.38Å; R448-F451 PolarHBondContact O-N 3.06Å; E449-F451 VanDerWaalsContact C-N 3.33Å; E449-F451 PolarHBondContact O-N 3.05Å; F451-T454 WeakPolarHBondContact O-CB 3.44Å; F451-T454 PolarHBondContact O-N 3.17Å; F451-L455 HydrophobicContact CE1-CD1 4.44Å; F451-L455 HydrophobicContact CE1-CD2 4.13Å; F451-L455 HydrophobicContact CE1-CG 4.49Å; F451-L455 HydrophobicContact CZ-CD2 4.27Å; F451-L455 PolarHBondContact O-N 3.5Å; F451-A473 HydrophobicContact CD1-CB 3.75Å; F451-A473 HydrophobicContact CE1-CB 3.89Å; F451-I586 HydrophobicContact CB-CG2 4.31Å; F451-I586 HydrophobicContact CD2-CG2 4.11Å; F451-I586 HydrophobicContact CG-CG2 4.05Å; F451-F590 HydrophobicContact CD1-CE2 4.32Å; F451-F590 AromaticContact CE1-CD2 3.88Å; F451-F590 HydrophobicContact CE1-CD2 3.88Å; F451-F590 HydrophobicContact CE1-CE1 4.15Å; F451-F590 AromaticContact CE1-CE2 3.46Å; F451-F590 HydrophobicContact CE1-CE2 3.46Å; F451-F590 VanDerWaalsContact CE1-CE2 3.46Å; F451-F590 HydrophobicContact CE1-CG 4.38Å; F451-F590 AromaticContact CE1-CZ 3.62Å; F451-F590 HydrophobicContact CE1-CZ 3.62Å; F451-F590 AromaticContact CE2-CD2 3.85Å; F451-F590 HydrophobicContact CE2-CD2 3.85Å; F451-F590 HydrophobicContact CE2-CE2 4.21Å; F451-F590 HydrophobicContact CE2-CG 4.33Å; F451-F590 HydrophobicContact CZ-CB 4.33Å; F451-F590 HydrophobicContact CZ-CD1 4.02Å; F451-F590 AromaticContact CZ-CD2 3.28Å; F451-F590 HydrophobicContact CZ-CD2 3.28Å; F451-F590 HydrophobicContact CZ-CE1 4.13Å; F451-F590 AromaticContact CZ-CE2 3.41Å; F451-F590 HydrophobicContact CZ-CE2 3.41Å; F451-F590 VanDerWaalsContact CZ-CE2 3.41Å; F451-F590 AromaticContact CZ-CG 3.61Å; F451-F590 HydrophobicContact CZ-CG 3.61Å; F451-F590 AromaticContact CZ-CZ 3.84Å; F451-F590 HydrophobicContact CZ-CZ 3.84Å; F451-W750 HydrophobicContact CE2-CD2 4.26Å; F451-W750 HydrophobicContact CE2-CE3 4.01Å; F451-W750 HydrophobicContact CE2-CG 4.47Å; F451-W750 HydrophobicContact CZ-CE3 4Å; F451-W750 HydrophobicContact CZ-CZ3 4.22Å
452	I	98.8	Very high	98.3	Very high	30 Å²	30	44.3 Å²	44.3	15%	0.154	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-47.1	179.7	-66.3	165.6	0	0	0	111.1	R448 E449 T454 L455 E470 A473 L474	R448-I452 HydrophobicContact CG-CD1 4.24Å; R448-I452 WeakPolarHBondContact O-CG1 3.43Å; R448-I452 PolarHBondContact O-N 3.23Å; E449-I452 PolarHBondContact O-N 2.98Å; I452-T454 PolarHBondContact O-N 3.31Å; I452-L455 VanDerWaalsContact O-CB 3.28Å; I452-L455 WeakPolarHBondContact O-CB 3.37Å; I452-L455 WeakPolarHBondContact O-CG 3.46Å; I452-L455 PolarHBondContact O-N 3.42Å; I452-L455 VanDerWaalsContact O-N 3.08Å; I452-E470 HydrophobicContact CG1-CG 4.44Å; I452-E470 HydrophobicContact CG2-CB 4.49Å; I452-E470 HydrophobicContact CG2-CG 3.82Å; I452-A473 HydrophobicContact CD1-CB 4.28Å; I452-A473 HydrophobicContact CG1-CB 3.93Å; I452-L474 HydrophobicContact CD1-CD2 3.55Å; I452-L474 HydrophobicContact CD1-CG 3.79Å
453	Q	98.4	Very high	98.4	Very high	85 Å²	85	43.9 Å²	43.9	40%	0.397	25%	0.247	S	C	.	.	H	α-helix	trans	-57.8	-37.1	176.6	-72.2	173.2	3	0	0	111.9	E449 L455 D456	E449-Q453 HydrophobicContact CG-CG 4.45Å; E449-Q453 WeakPolarHBondContact O-CB 3.31Å; E449-Q453 VanDerWaalsContact O-CG 3.29Å; E449-Q453 WeakPolarHBondContact O-CG 3.4Å; E449-Q453 PolarHBondContact O-N 3.48Å; E449-Q453 PolarHBondContact OE1-NE2 3.34Å; Q453-L455 PolarHBondContact O-N 3Å; Q453-D456 PolarHBondContact O-N 3.45Å
454	T	98.3	Very high	98.4	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-28.2	179.6	-64.3	0	0	0	0	112.6	V450 F451 I452 D456 D457 L458 R660 W750	V450-T454 VanDerWaalsContact O-CB 3.32Å; V450-T454 WeakPolarHBondContact O-CB 3.4Å; V450-T454 PolarHBondContact O-N 3.31Å; V450-T454 PolarHBondContact O-OG1 3.06Å; F451-T454 WeakPolarHBondContact O-CB 3.44Å; F451-T454 PolarHBondContact O-N 3.17Å; I452-T454 PolarHBondContact O-N 3.31Å; T454-D456 PolarHBondContact O-N 3.41Å; T454-D457 PolarHBondContact O-N 2.99Å; T454-L458 HydrophobicContact CG2-CD2 4.11Å; T454-L458 HydrophobicContact CG2-CG 4.33Å; T454-L458 WeakPolarHBondContact O-CG 3.32Å; T454-L458 PolarHBondContact O-N 2.84Å; T454-R660 PolarHBondContact OG1-NH1 2.69Å; T454-R660 PolarHBondContact OG1-NH2 3.12Å; T454-W750 WeakPolarHBondContact CG2-OXT 3.35Å
455	L	98.1	Very high	98.4	Very high	5 Å²	5	50 Å²	50	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-56.3	-36.3	-179.6	-62.5	175.7	0	0	0	111.5	F451 I452 Q453 D457 L458 K466 A469 E470 W750	F451-L455 HydrophobicContact CE1-CD1 4.44Å; F451-L455 HydrophobicContact CE1-CD2 4.13Å; F451-L455 HydrophobicContact CE1-CG 4.49Å; F451-L455 HydrophobicContact CZ-CD2 4.27Å; F451-L455 PolarHBondContact O-N 3.5Å; I452-L455 VanDerWaalsContact O-CB 3.28Å; I452-L455 WeakPolarHBondContact O-CB 3.37Å; I452-L455 WeakPolarHBondContact O-CG 3.46Å; I452-L455 PolarHBondContact O-N 3.42Å; I452-L455 VanDerWaalsContact O-N 3.08Å; Q453-L455 PolarHBondContact O-N 3Å; L455-D457 VanDerWaalsContact C-N 3.3Å; L455-D457 PolarHBondContact O-N 3.1Å; L455-L458 HydrophobicContact CD2-CD1 4.09Å; L455-L458 PolarHBondContact O-N 3.26Å; L455-K466 HydrophobicContact CB-CG 4.46Å; L455-K466 WeakPolarHBondContact O-CD 3.39Å; L455-K466 WeakPolarHBondContact O-CE 3.42Å; L455-K466 PolarHBondContact O-NZ 3.41Å; L455-A469 HydrophobicContact CD1-CB 3.97Å; L455-A469 HydrophobicContact CD2-CB 4.07Å; L455-E470 HydrophobicContact CD1-CB 4.02Å; L455-W750 HydrophobicContact CD2-CE3 4.41Å; L455-W750 HydrophobicContact CD2-CZ3 3.98Å
456	D	97.6	Very high	98.4	Very high	129 Å²	129	49 Å²	49	69%	0.69	26%	0.261	S	S	*	.	H	α-helix	trans	-61.8	-38.1	178.1	-73.7	-21.9	0	0	0	112.3	Q453 T454 L458 K466	Q453-D456 PolarHBondContact O-N 3.45Å; T454-D456 PolarHBondContact O-N 3.41Å; D456-L458 VanDerWaalsContact C-N 3.33Å; D456-L458 PolarHBondContact O-N 2.92Å; D456-K466 PolarHBondContact O-NZ 3.37Å
457	D	97.4	Very high	98.4	Very high	113 Å²	113	53.1 Å²	53.1	60%	0.604	28%	0.278	S	S	*	.	H	α-helix	trans	-76.2	-16.5	-179.9	-64.1	-27	0	0	0	113.5	T454 L455 T459	T454-D457 PolarHBondContact O-N 2.99Å; L455-D457 VanDerWaalsContact C-N 3.3Å; L455-D457 PolarHBondContact O-N 3.1Å; D457-T459 PolarHBondContact O-N 3.43Å; D457-T459 VanDerWaalsContact O-N 3.1Å
458	L	97.8	Very high	98.4	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	30%	0.295	C	S	.	.			trans	-73.5	103.2	-179.2	-60.6	-176.3	0	0	0	110.8	T454 L455 D456 W460 M461 K466 W750	T454-L458 HydrophobicContact CG2-CD2 4.11Å; T454-L458 HydrophobicContact CG2-CG 4.33Å; T454-L458 WeakPolarHBondContact O-CG 3.32Å; T454-L458 PolarHBondContact O-N 2.84Å; L455-L458 HydrophobicContact CD2-CD1 4.09Å; L455-L458 PolarHBondContact O-N 3.26Å; D456-L458 VanDerWaalsContact C-N 3.33Å; D456-L458 PolarHBondContact O-N 2.92Å; L458-W460 HydrophobicContact CD1-CZ2 4.03Å; L458-W460 PolarHBondContact O-N 2.87Å; L458-M461 HydrophobicContact CD1-SD 3.81Å; L458-K466 WeakPolarHBondContact O-CE 3.42Å; L458-K466 PolarHBondContact O-NZ 3.05Å; L458-W750 HydrophobicContact CD1-CE3 3.69Å; L458-W750 HydrophobicContact CD1-CZ3 3.9Å
459	T	98.2	Very high	98.4	Very high	140 Å²	140	55.5 Å²	55.5	86%	0.859	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.3	-177.8	56.2	0	0	0	0	114.1	D457	D457-T459 PolarHBondContact O-N 3.43Å; D457-T459 VanDerWaalsContact O-N 3.1Å
460	W	98.6	Very high	98.4	Very high	18 Å²	18	54 Å²	54	7%	0.068	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.1	-174.7	64.2	-96.8	0	0	0	113.6	L458 W607 N614 F615 Q618 V749 W750	L458-W460 HydrophobicContact CD1-CZ2 4.03Å; L458-W460 PolarHBondContact O-N 2.87Å; W460-W607 HydrophobicContact CH2-CH2 4.03Å; W460-W607 HydrophobicContact CH2-CZ3 4.07Å; W460-W607 HydrophobicContact CZ3-CH2 4.24Å; W460-W607 AromaticContact CZ3-CZ3 3.8Å; W460-W607 HydrophobicContact CZ3-CZ3 3.8Å; W460-N614 HydrophobicContact CB-CB 4.3Å; W460-N614 HydrophobicContact CE3-CB 3.96Å; W460-N614 VanDerWaalsContact O-CB 3.28Å; W460-N614 WeakPolarHBondContact O-CB 3.28Å; W460-N614 PolarHBondContact O-ND2 3.13Å; W460-F615 HydrophobicContact CH2-CB 4.35Å; W460-F615 AromaticContact CH2-CD2 3.85Å; W460-F615 HydrophobicContact CH2-CD2 3.85Å; W460-F615 HydrophobicContact CZ3-CB 3.8Å; W460-F615 HydrophobicContact CZ3-CD2 4.17Å; W460-Q618 HydrophobicContact CB-CG 4.35Å; W460-Q618 HydrophobicContact CD2-CG 4.12Å; W460-Q618 HydrophobicContact CG-CG 3.96Å; W460-V749 HydrophobicContact CH2-CG1 4.24Å; W460-V749 HydrophobicContact CZ2-CG1 3.93Å; W460-V749 VanDerWaalsContact CZ2-O 3.29Å; W460-V749 WeakPolarHBondContact CZ2-O 3.48Å; W460-V749 PolarHBondContact NE1-O 3.18Å; W460-W750 AromaticContact CH2-CH2 3.9Å; W460-W750 HydrophobicContact CH2-CH2 3.9Å; W460-W750 HydrophobicContact CH2-CZ2 4.1Å; W460-W750 HydrophobicContact CH2-CZ3 4.24Å; W460-W750 HydrophobicContact CZ2-CE3 4.33Å; W460-W750 HydrophobicContact CZ2-CH2 4.26Å; W460-W750 HydrophobicContact CZ2-CZ2 4.47Å; W460-W750 HydrophobicContact CZ2-CZ3 4.18Å
461	M	98.3	Very high	98.4	Very high	13 Å²	13	56.8 Å²	56.8	6%	0.064	30%	0.295	C	S	.	.	S	Bend	trans	-113.3	142.2	176.2	-64.6	174	71.6	0	0	111.4	L458 T465 K466 A469 W607 W750	L458-M461 HydrophobicContact CD1-SD 3.81Å; M461-T465 HydrophobicContact CE-CG2 3.62Å; M461-K466 HydrophobicContact CB-CG 3.86Å; M461-K466 HydrophobicContact CE-CG 4.41Å; M461-K466 VanDerWaalsContact O-CE 3.23Å; M461-K466 WeakPolarHBondContact O-CE 3.37Å; M461-A469 HydrophobicContact CE-CB 4.18Å; M461-W607 HydrophobicContact CE-CH2 4.07Å; M461-W607 HydrophobicContact CE-CZ3 4.09Å; M461-W750 HydrophobicContact CE-CH2 4.16Å; M461-W750 HydrophobicContact CE-CZ3 4.21Å; M461-W750 HydrophobicContact SD-CH2 3.96Å; M461-W750 HydrophobicContact SD-CZ3 3.68Å
462	D	98.6	Very high	98.4	Very high	47 Å²	47	56.8 Å²	56.8	25%	0.251	30%	0.295	S	S	.	.			trans	-76.2	161.9	168.4	59.3	63.6	0	0	0	112.4	E464 T465 K466 T608 S611	D462-E464 VanDerWaalsContact C-N 3.27Å; D462-E464 PolarHBondContact O-N 2.97Å; D462-E464 PolarHBondContact OD1-N 3.42Å; D462-T465 PolarHBondContact O-N 3.01Å; D462-T465 WeakPolarHBondContact OD1-CB 3.31Å; D462-T465 PolarHBondContact OD1-N 3.36Å; D462-T465 PolarHBondContact OD1-OG1 2.98Å; D462-T465 PolarHBondContact OD2-OG1 3.46Å; D462-K466 WeakPolarHBondContact O-CG 3.47Å; D462-K466 PolarHBondContact O-N 2.82Å; D462-T608 WeakPolarHBondContact OD2-CB 3.48Å; D462-T608 WeakPolarHBondContact OD2-CG2 3.48Å; D462-T608 PolarHBondContact OD2-OG1 2.91Å; D462-S611 VanDerWaalsContact CG-OG 3.25Å; D462-S611 PolarHBondContact N-OG 2.74Å; D462-S611 PolarHBondContact OD2-OG 3.28Å
463	A	98.6	Very high	98.4	Very high	82 Å²	82	55.4 Å²	55.4	68%	0.678	29%	0.288	S	S	*	.	H	α-helix	trans	-62.9	-30.3	-176.7	0	0	0	0	0	113.7	K467	A463-K467 PolarHBondContact O-N 2.76Å; A463-K467 VanDerWaalsContact O-N 3.1Å
464	E	98.5	Very high	98.4	Very high	135 Å²	135	56.2 Å²	56.2	63%	0.631	30%	0.295	S	S	*	.	H	α-helix	trans	-67.3	-48.2	178.6	179.1	175.6	-176.3	0	0	110.8	D462 K467 K468 T608	D462-E464 VanDerWaalsContact C-N 3.27Å; D462-E464 PolarHBondContact O-N 2.97Å; D462-E464 PolarHBondContact OD1-N 3.42Å; E464-K467 PolarHBondContact O-N 2.91Å; E464-K468 PolarHBondContact O-N 3.48Å; E464-T608 HydrophobicContact CB-CG2 4.47Å
465	T	98.8	Very high	98.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67.5	-38.7	178.4	-49.8	0	0	0	0	111.1	M461 D462 K467 K468 A469 W606 W607 T608 S611	M461-T465 HydrophobicContact CE-CG2 3.62Å; D462-T465 PolarHBondContact O-N 3.01Å; D462-T465 WeakPolarHBondContact OD1-CB 3.31Å; D462-T465 PolarHBondContact OD1-N 3.36Å; D462-T465 PolarHBondContact OD1-OG1 2.98Å; D462-T465 PolarHBondContact OD2-OG1 3.46Å; T465-K467 PolarHBondContact O-N 3.09Å; T465-K468 PolarHBondContact O-N 3.42Å; T465-A469 PolarHBondContact O-N 2.82Å; T465-W606 HydrophobicContact CG2-CE3 4.44Å; T465-W606 HydrophobicContact CG2-CZ3 4.11Å; T465-W607 HydrophobicContact CG2-CB 4.41Å; T465-W607 HydrophobicContact CG2-CD2 3.72Å; T465-W607 HydrophobicContact CG2-CE3 3.48Å; T465-W607 VanDerWaalsContact CG2-CE3 3.48Å; T465-W607 HydrophobicContact CG2-CG 4.16Å; T465-W607 HydrophobicContact CG2-CZ3 3.92Å; T465-T608 PolarHBondContact OG1-N 3.32Å; T465-S611 WeakPolarHBondContact OG1-CB 3.27Å; T465-S611 PolarHBondContact OG1-OG 3.31Å
466	K	98.8	Very high	98.5	Very high	32 Å²	32	57.6 Å²	57.6	14%	0.139	31%	0.307	C	S	.	.	H	α-helix	trans	-57.7	-46.2	173.8	-73.6	179.3	-175.5	-158.1	0	112	L455 D456 L458 M461 D462 K468 A469 E470	L455-K466 HydrophobicContact CB-CG 4.46Å; L455-K466 WeakPolarHBondContact O-CD 3.39Å; L455-K466 WeakPolarHBondContact O-CE 3.42Å; L455-K466 PolarHBondContact O-NZ 3.41Å; D456-K466 PolarHBondContact O-NZ 3.37Å; L458-K466 WeakPolarHBondContact O-CE 3.42Å; L458-K466 PolarHBondContact O-NZ 3.05Å; M461-K466 HydrophobicContact CB-CG 3.86Å; M461-K466 HydrophobicContact CE-CG 4.41Å; M461-K466 VanDerWaalsContact O-CE 3.23Å; M461-K466 WeakPolarHBondContact O-CE 3.37Å; D462-K466 WeakPolarHBondContact O-CG 3.47Å; D462-K466 PolarHBondContact O-N 2.82Å; K466-K468 VanDerWaalsContact C-N 3.31Å; K466-K468 PolarHBondContact O-N 3.41Å; K466-A469 WeakPolarHBondContact O-CB 3.41Å; K466-A469 PolarHBondContact O-N 3.5Å; K466-E470 PolarHBondContact O-N 3.16Å
467	K	98.8	Very high	98.5	Very high	129 Å²	129	55 Å²	55	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-60.5	-40.3	176.6	-177.1	180	175.7	-179.2	0	111.9	A463 E464 T465 E470 E471	A463-K467 PolarHBondContact O-N 2.76Å; A463-K467 VanDerWaalsContact O-N 3.1Å; E464-K467 PolarHBondContact O-N 2.91Å; T465-K467 PolarHBondContact O-N 3.09Å; K467-E470 PolarHBondContact O-N 2.78Å; K467-E471 WeakPolarHBondContact O-CG 3.34Å; K467-E471 PolarHBondContact O-N 3.24Å
468	K	98.7	Very high	98.5	Very high	80 Å²	80	53.3 Å²	53.3	35%	0.348	28%	0.278	S	S	.	.	H	α-helix	trans	-67.2	-37.4	175.7	-70	-73.8	162.2	-157.5	0	112.7	E464 T465 K466 E471 K472 W606	E464-K468 PolarHBondContact O-N 3.48Å; T465-K468 PolarHBondContact O-N 3.42Å; K466-K468 VanDerWaalsContact C-N 3.31Å; K466-K468 PolarHBondContact O-N 3.41Å; K468-E471 WeakPolarHBondContact CD-OE2 3.45Å; K468-E471 IonicContact NZ-OE1 3.32Å; K468-E471 PolarHBondContact NZ-OE1 2.97Å; K468-E471 IonicContact NZ-OE2 3.61Å; K468-E471 PolarHBondContact NZ-OE2 3.3Å; K468-E471 PolarHBondContact O-N 2.82Å; K468-K472 PolarHBondContact O-N 2.88Å; K468-W606 HydrophobicContact CB-CD2 4.29Å; K468-W606 HydrophobicContact CB-CE3 3.46Å; K468-W606 VanDerWaalsContact CB-CE3 3.46Å; K468-W606 HydrophobicContact CB-CZ3 4Å; K468-W606 HydrophobicContact CG-CE3 4.48Å
469	A	98.8	Very high	98.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-41.6	174.2	0	0	0	0	0	111.7	L455 M461 T465 K466 K472 A473 F590 W606	L455-A469 HydrophobicContact CD1-CB 3.97Å; L455-A469 HydrophobicContact CD2-CB 4.07Å; M461-A469 HydrophobicContact CE-CB 4.18Å; T465-A469 PolarHBondContact O-N 2.82Å; K466-A469 WeakPolarHBondContact O-CB 3.41Å; K466-A469 PolarHBondContact O-N 3.5Å; A469-K472 PolarHBondContact O-N 3.47Å; A469-A473 WeakPolarHBondContact O-CB 3.45Å; A469-A473 PolarHBondContact O-N 2.88Å; A469-F590 HydrophobicContact CB-CD1 4.42Å; A469-F590 HydrophobicContact CB-CE1 3.96Å; A469-F590 WeakPolarHBondContact O-CZ 3.4Å; A469-W606 HydrophobicContact CB-CH2 4.22Å; A469-W606 HydrophobicContact CB-CZ3 4.12Å
470	E	98.8	Very high	98.4	Very high	81 Å²	81	49.3 Å²	49.3	38%	0.379	25%	0.247	S	C	.	.	H	α-helix	trans	-60.5	-49.3	172.5	178.8	-177.2	-170.9	0	0	111.7	I452 L455 K466 K467 K472 A473 L474	I452-E470 HydrophobicContact CG1-CG 4.44Å; I452-E470 HydrophobicContact CG2-CB 4.49Å; I452-E470 HydrophobicContact CG2-CG 3.82Å; L455-E470 HydrophobicContact CD1-CB 4.02Å; K466-E470 PolarHBondContact O-N 3.16Å; K467-E470 PolarHBondContact O-N 2.78Å; E470-K472 PolarHBondContact O-N 3.27Å; E470-A473 PolarHBondContact O-N 3.34Å; E470-A473 VanDerWaalsContact O-N 3.14Å; E470-L474 HydrophobicContact CG-CD1 3.92Å; E470-L474 HydrophobicContact CG-CG 4.4Å; E470-L474 WeakPolarHBondContact O-CG 3.17Å; E470-L474 PolarHBondContact O-N 2.99Å
471	E	98.8	Very high	98.3	Very high	63 Å²	63	48.4 Å²	48.4	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-53.9	-41.1	176.7	-75.5	172.5	-163.5	0	0	111.7	K467 K468 A475	K467-E471 WeakPolarHBondContact O-CG 3.34Å; K467-E471 PolarHBondContact O-N 3.24Å; K468-E471 WeakPolarHBondContact CD-OE2 3.45Å; K468-E471 IonicContact NZ-OE1 3.32Å; K468-E471 PolarHBondContact NZ-OE1 2.97Å; K468-E471 IonicContact NZ-OE2 3.61Å; K468-E471 PolarHBondContact NZ-OE2 3.3Å; K468-E471 PolarHBondContact O-N 2.82Å; E471-A475 WeakPolarHBondContact O-CB 3.45Å; E471-A475 PolarHBondContact O-N 3.34Å
472	K	98.8	Very high	98.2	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-69.9	-46.1	176.7	-179	172.7	-173.6	-179.4	0	112.5	K468 A469 E470 L474 A475 I476 N551 G589 F590 G594 F597 K599 W606	K468-K472 PolarHBondContact O-N 2.88Å; A469-K472 PolarHBondContact O-N 3.47Å; E470-K472 PolarHBondContact O-N 3.27Å; K472-L474 VanDerWaalsContact C-N 3.31Å; K472-L474 PolarHBondContact O-N 2.99Å; K472-A475 PolarHBondContact O-N 3.46Å; K472-I476 PolarHBondContact O-N 3.04Å; K472-N551 PolarHBondContact O-ND2 3.23Å; K472-G589 WeakPolarHBondContact CE-O 3.24Å; K472-G589 PolarHBondContact NZ-O 3.21Å; K472-F590 HydrophobicContact CB-CE1 4Å; K472-F590 HydrophobicContact CB-CZ 3.99Å; K472-F590 HydrophobicContact CD-CD1 4.48Å; K472-F590 HydrophobicContact CD-CE1 3.84Å; 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 3.28Å; K472-F597 WeakPolarHBondContact CD-O 3.35Å; K472-F597 WeakPolarHBondContact CE-O 3.5Å; K472-F597 PolarHBondContact NZ-O 2.88Å; K472-K599 HydrophobicContact CB-CB 4.33Å; K472-W606 HydrophobicContact CD-CZ2 4.06Å
473	A	98.8	Very high	98.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-41	-178.8	0	0	0	0	0	111.6	R448 F451 I452 A469 E470 A475 I476 F590	R448-A473 WeakPolarHBondContact CD-O 3.17Å; R448-A473 PolarHBondContact NH1-O 2.88Å; F451-A473 HydrophobicContact CD1-CB 3.75Å; F451-A473 HydrophobicContact CE1-CB 3.89Å; I452-A473 HydrophobicContact CD1-CB 4.28Å; I452-A473 HydrophobicContact CG1-CB 3.93Å; A469-A473 WeakPolarHBondContact O-CB 3.45Å; A469-A473 PolarHBondContact O-N 2.88Å; E470-A473 PolarHBondContact O-N 3.34Å; E470-A473 VanDerWaalsContact O-N 3.14Å; A473-A475 VanDerWaalsContact C-N 3.26Å; A473-A475 PolarHBondContact O-N 3.24Å; A473-I476 PolarHBondContact O-N 3.15Å; A473-F590 HydrophobicContact CB-CE2 4.29Å; A473-F590 HydrophobicContact CB-CZ 3.9Å
474	L	98.7	Very high	97.8	Very high	102 Å²	102	48.9 Å²	48.9	53%	0.534	23%	0.234	S	C	.	.	H	α-helix	trans	-64.4	-31.3	175	-70.7	171.3	0	0	0	112.5	R448 I452 E470 K472	R448-L474 PolarHBondContact NH1-O 3.35Å; R448-L474 VanDerWaalsContact NH1-O 3.1Å; I452-L474 HydrophobicContact CD1-CD2 3.55Å; I452-L474 HydrophobicContact CD1-CG 3.79Å; E470-L474 HydrophobicContact CG-CD1 3.92Å; E470-L474 HydrophobicContact CG-CG 4.4Å; E470-L474 WeakPolarHBondContact O-CG 3.17Å; E470-L474 PolarHBondContact O-N 2.99Å; K472-L474 VanDerWaalsContact C-N 3.31Å; K472-L474 PolarHBondContact O-N 2.99Å
475	A	98.5	Very high	97.6	Very high	35 Å²	35	45.8 Å²	45.8	29%	0.289	22%	0.221	S	C	.	.	H	α-helix	trans	-84.6	-6.4	-179.2	0	0	0	0	0	114.7	E471 K472 A473 K477 K599	E471-A475 WeakPolarHBondContact O-CB 3.45Å; E471-A475 PolarHBondContact O-N 3.34Å; K472-A475 PolarHBondContact O-N 3.46Å; A473-A475 VanDerWaalsContact C-N 3.26Å; A473-A475 PolarHBondContact O-N 3.24Å; A475-K477 PolarHBondContact O-N 3.26Å; A475-K599 HydrophobicContact CB-CB 3.7Å
476	I	98.5	Very high	97.5	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-57.5	129.9	176.1	-68.9	170.3	0	0	0	109.1	R448 K472 A473 N551 I553 I586 F590	R448-I476 PolarHBondContact NH1-O 3.08Å; R448-I476 PolarHBondContact NH2-O 2.89Å; R448-I476 VanDerWaalsContact NH2-O 3.08Å; K472-I476 PolarHBondContact O-N 3.04Å; A473-I476 PolarHBondContact O-N 3.15Å; I476-N551 WeakPolarHBondContact CA-O 3.41Å; I476-N551 WeakPolarHBondContact CG1-OD1 3.49Å; I476-N551 PolarHBondContact N-ND2 3.36Å; I476-I553 HydrophobicContact CG2-CB 4.35Å; I476-I553 HydrophobicContact CG2-CD1 3.83Å; I476-I553 HydrophobicContact CG2-CG1 3.78Å; I476-I553 HydrophobicContact CG2-CG2 3.86Å; I476-I586 HydrophobicContact CD1-CG1 4.49Å; I476-I586 HydrophobicContact CD1-CG2 4.09Å; I476-F590 HydrophobicContact CD1-CE2 4.26Å
477	K	97.6	Very high	97.3	Very high	73 Å²	73	46.9 Å²	46.9	32%	0.317	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.4	175.3	-63.1	-177.6	179.1	-172	0	110.4	A475 N551 Q552 I553	A475-K477 PolarHBondContact O-N 3.26Å; K477-N551 PolarHBondContact N-O 3.37Å; K477-Q552 HydrophobicContact CB-CB 4.36Å; K477-Q552 HydrophobicContact CB-CG 4.31Å; K477-Q552 CarbonylContact O-C 3.6Å; K477-Q552 VanDerWaalsContact O-CA 3.24Å; K477-Q552 WeakPolarHBondContact O-CA 3.43Å; K477-Q552 WeakPolarHBondContact O-CG 3.39Å; K477-I553 PolarHBondContact O-N 3.33Å
478	E	96.8	Very high	97.2	Very high	79 Å²	79	44.8 Å²	44.8	37%	0.369	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	141.8	175.5	65.7	-82	-166.9	0	0	113.1	I444 R448 I480 I553	I444-E478 HydrophobicContact CD1-CB 4.3Å; I444-E478 HydrophobicContact CG2-CB 4.21Å; I444-E478 HydrophobicContact CG2-CG 4.48Å; R448-E478 IonicContact CZ-OE2 3.15Å; R448-E478 IonicContact NH2-OE2 3.83Å; R448-E478 PolarHBondContact NH2-OE2 2.83Å; E478-I480 HydrophobicContact CB-CD1 4.44Å; E478-I480 HydrophobicContact CG-CD1 4.06Å; E478-I553 CarbonylContact C-O 3.57Å; E478-I553 HydrophobicContact CB-CD1 4.22Å; E478-I553 HydrophobicContact CB-CG1 3.98Å
479	R	97.1	Very high	97.1	Very high	53 Å²	53	43.9 Å²	43.9	20%	0.2	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	123.5	172.7	-60.2	-58.3	-176.2	-149.1	1.7	109.2	D533 W535 Q552 I553 V554 F555	R479-D533 IonicContact CZ-OD1 2.93Å; R479-D533 IonicContact NH2-OD1 2.65Å; R479-D533 PolarHBondContact NH2-OD1 3.02Å; R479-W535 HydrophobicContact CB-CD2 3.87Å; R479-W535 HydrophobicContact CB-CE3 4.05Å; R479-W535 HydrophobicContact CB-CH2 3.76Å; R479-W535 HydrophobicContact CB-CZ2 3.59Å; R479-W535 HydrophobicContact CB-CZ3 3.99Å; R479-W535 HydrophobicContact CG-CD2 4.2Å; R479-W535 HydrophobicContact CG-CG 4.43Å; R479-W535 HydrophobicContact CG-CZ2 4.31Å; R479-Q552 HydrophobicContact CG-CG 3.88Å; R479-Q552 VanDerWaalsContact NE-NE2 3.14Å; R479-I553 PolarHBondContact N-O 3.39Å; R479-V554 HydrophobicContact CB-CB 4.23Å; R479-V554 HydrophobicContact CB-CG1 4.02Å; R479-V554 HydrophobicContact CB-CG2 3.84Å; R479-V554 HydrophobicContact CG-CG2 4.05Å; R479-V554 WeakPolarHBondContact O-CA 3.42Å; R479-F555 PolarHBondContact O-N 3.39Å
480	I	97.3	Very high	97.1	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.6	-165.3	-56.7	160.2	0	0	0	110.2	K437 V440 E441 I444 E478 Y482 W535 L560	K437-I480 HydrophobicContact CG-CB 4.4Å; K437-I480 HydrophobicContact CG-CG2 4.12Å; V440-I480 HydrophobicContact CB-CG2 3.95Å; V440-I480 HydrophobicContact CG1-CG1 4.5Å; V440-I480 HydrophobicContact CG1-CG2 3.74Å; E441-I480 HydrophobicContact CB-CD1 4.09Å; E441-I480 HydrophobicContact CG-CD1 3.23Å; I444-I480 HydrophobicContact CD1-CD1 3.47Å; I444-I480 VanDerWaalsContact CD1-CD1 3.47Å; I444-I480 HydrophobicContact CD1-CG1 3.63Å; E478-I480 HydrophobicContact CB-CD1 4.44Å; E478-I480 HydrophobicContact CG-CD1 4.06Å; I480-Y482 PolarHBondContact O-N 3.47Å; I480-W535 VanDerWaalsContact N-CH2 3.33Å; I480-L560 HydrophobicContact CG2-CD1 3.93Å
481	G	96.6	Very high	97.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.7	-83.2	-179.6	0	0	0	0	0	112.4	A539 F555 A557	G481-A539 WeakPolarHBondContact O-CB 3.24Å; G481-F555 PolarHBondContact N-O 2.94Å; G481-A557 PolarHBondContact O-N 2.83Å
482	Y	96.8	Very high	97	Very high	44 Å²	44	51 Å²	51	17%	0.173	27%	0.266	C	S	.	.			trans	-156.2	158.2	-175.6	62.5	-83.7	0	0	0	112.3	V428 F432 I480 D484 I486 I487 W535	V428-Y482 HydrophobicContact CB-CD1 3.97Å; V428-Y482 HydrophobicContact CB-CE1 4.24Å; V428-Y482 HydrophobicContact CB-CG 4.39Å; V428-Y482 HydrophobicContact CG1-CD1 3.68Å; V428-Y482 HydrophobicContact CG1-CE1 4.42Å; V428-Y482 HydrophobicContact CG1-CG 3.98Å; V428-Y482 HydrophobicContact CG2-CD1 4.08Å; V428-Y482 HydrophobicContact CG2-CD2 4.29Å; V428-Y482 HydrophobicContact CG2-CE1 4.28Å; V428-Y482 HydrophobicContact CG2-CE2 4.49Å; V428-Y482 HydrophobicContact CG2-CG 4.1Å; F432-Y482 HydrophobicContact CD1-CD1 4.04Å; F432-Y482 AromaticContact CD1-CE1 3.8Å; F432-Y482 HydrophobicContact CD1-CE1 3.8Å; F432-Y482 HydrophobicContact CE1-CD1 4.22Å; F432-Y482 HydrophobicContact CE1-CE1 4.01Å; I480-Y482 PolarHBondContact O-N 3.47Å; Y482-D484 PolarHBondContact O-N 3.46Å; Y482-I486 HydrophobicContact CD2-CD1 4.19Å; Y482-I486 HydrophobicContact CD2-CG1 4.13Å; Y482-I486 HydrophobicContact CG-CD1 4.44Å; Y482-I487 HydrophobicContact CD2-CG1 4Å; Y482-I487 HydrophobicContact CE2-CB 4.32Å; Y482-I487 HydrophobicContact CE2-CG1 3.52Å; Y482-W535 VanDerWaalsContact N-CH2 3.26Å; Y482-W535 WeakPolarHBondContact O-CZ2 3.46Å
483	P	95.4	Very high	96.9	Very high	26 Å²	26	51.1 Å²	51.1	17%	0.169	27%	0.267	C	S	.	.			trans	-70.1	122.5	168.2	0.9	7.5	0	0	0	111	D485 I486 W535	P483-D485 PolarHBondContact O-N 3.22Å; P483-I486 HydrophobicContact CB-CG2 4.25Å; P483-I486 HydrophobicContact CG-CG2 4.01Å; P483-I486 WeakPolarHBondContact O-CG1 3.49Å; P483-I486 PolarHBondContact O-N 2.8Å; P483-W535 HydrophobicContact CB-CZ2 4.46Å; P483-W535 HydrophobicContact CG-CD2 3.8Å; P483-W535 HydrophobicContact CG-CE3 4.49Å; P483-W535 HydrophobicContact CG-CG 3.84Å; P483-W535 HydrophobicContact CG-CZ2 4.33Å
484	D	93.2	Very high	96.9	Very high	82 Å²	82	52.7 Å²	52.7	44%	0.439	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.1	-174.6	-62.4	-30	0	0	0	113.6	K437 Y482 I486 I487 S488	K437-D484 VanDerWaalsContact NZ-CG 3.31Å; K437-D484 IonicContact NZ-OD1 2.76Å; K437-D484 PolarHBondContact NZ-OD1 2.86Å; K437-D484 IonicContact NZ-OD2 3.8Å; K437-D484 PolarHBondContact NZ-OD2 3.43Å; Y482-D484 PolarHBondContact O-N 3.46Å; D484-I486 VanDerWaalsContact C-N 3.27Å; D484-I486 PolarHBondContact O-N 2.79Å; D484-I487 PolarHBondContact O-N 3.45Å; D484-S488 PolarHBondContact O-N 2.8Å; D484-S488 VanDerWaalsContact O-N 3.09Å; D484-S488 PolarHBondContact O-OG 2.66Å
485	D	94.3	Very high	96.8	Very high	69 Å²	69	52.9 Å²	52.9	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-26.8	177.8	-74.5	-2.1	0	0	0	113.9	P483 I487 N489 K492	P483-D485 PolarHBondContact O-N 3.22Å; D485-I487 PolarHBondContact O-N 2.03Å; D485-N489 HydrophobicContact CB-CB 4.44Å; D485-N489 WeakPolarHBondContact O-CA 3.28Å; D485-N489 WeakPolarHBondContact O-CB 3.37Å; D485-N489 PolarHBondContact O-N 3.02Å; D485-K492 HydrophobicContact CB-CD 4.23Å; D485-K492 IonicContact OD2-NZ 3.93Å; D485-K492 PolarHBondContact OD2-NZ 3.43Å
486	I	96.4	Very high	96.7	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-69.3	-24.9	-179.4	79	-177.3	0	0	0	111.6	N421 R425 Y482 P483 D484	N421-I486 HydrophobicContact CB-CG2 3.87Å; R425-I486 HydrophobicContact CB-CB 4.47Å; R425-I486 HydrophobicContact CB-CD1 4.31Å; R425-I486 HydrophobicContact CB-CG1 4.15Å; R425-I486 VanDerWaalsContact CD-O 3.26Å; R425-I486 WeakPolarHBondContact CD-O 3.37Å; R425-I486 VanDerWaalsContact CG-O 3.29Å; R425-I486 WeakPolarHBondContact CG-O 3.36Å; R425-I486 PolarHBondContact NH1-O 3.28Å; Y482-I486 HydrophobicContact CD2-CD1 4.19Å; Y482-I486 HydrophobicContact CD2-CG1 4.13Å; Y482-I486 HydrophobicContact CG-CD1 4.44Å; P483-I486 HydrophobicContact CB-CG2 4.25Å; P483-I486 HydrophobicContact CG-CG2 4.01Å; P483-I486 WeakPolarHBondContact O-CG1 3.49Å; P483-I486 PolarHBondContact O-N 2.8Å; D484-I486 VanDerWaalsContact C-N 3.27Å; D484-I486 PolarHBondContact O-N 2.79Å
487	I	95.6	Very high	96.7	Very high	47 Å²	47	53.5 Å²	53.5	24%	0.241	27%	0.273	C	S	.	.	H	α-helix	trans	-93.6	-39.2	177.4	-62	-71.9	0	0	0	111.3	R425 V428 E429 Y482 D484 D485	R425-I487 HydrophobicContact CB-CD1 4.38Å; R425-I487 HydrophobicContact CG-CD1 3.46Å; R425-I487 VanDerWaalsContact CG-CD1 3.46Å; R425-I487 HydrophobicContact CG-CG1 4.4Å; R425-I487 PolarHBondContact NH1-O 2.8Å; R425-I487 PolarHBondContact NH2-O 3.03Å; V428-I487 HydrophobicContact CG2-CD1 3.56Å; V428-I487 HydrophobicContact CG2-CG1 4.06Å; E429-I487 HydrophobicContact CG-CD1 3.66Å; Y482-I487 HydrophobicContact CD2-CG1 4Å; Y482-I487 HydrophobicContact CE2-CB 4.32Å; Y482-I487 HydrophobicContact CE2-CG1 3.52Å; D484-I487 PolarHBondContact O-N 3.45Å; D485-I487 PolarHBondContact O-N 2.03Å
488	S	95.9	Very high	96.7	Very high	86 Å²	86	55.5 Å²	55.5	60%	0.601	29%	0.287	S	S	*	.	H	α-helix	trans	-96.6	-16	-169	60.2	0	0	0	0	115	D484	D484-S488 PolarHBondContact O-N 2.8Å; D484-S488 VanDerWaalsContact O-N 3.09Å; D484-S488 PolarHBondContact O-OG 2.66Å
489	N	97.3	Very high	96.8	Very high	61 Å²	61	57.5 Å²	57.5	33%	0.326	30%	0.296	S	S	.	.			trans	-128.6	78.2	-172.7	-167	-18.7	0	0	0	113	D485 N491 K492 L493	D485-N489 HydrophobicContact CB-CB 4.44Å; D485-N489 WeakPolarHBondContact O-CA 3.28Å; D485-N489 WeakPolarHBondContact O-CB 3.37Å; D485-N489 PolarHBondContact O-N 3.02Å; N489-N491 PolarHBondContact O-N 2.75Å; N489-K492 HydrophobicContact CB-CB 4.12Å; N489-K492 VanDerWaalsContact CG-CB 3.49Å; N489-K492 PolarHBondContact O-N 3.03Å; N489-K492 VanDerWaalsContact O-N 3.16Å; N489-K492 PolarHBondContact OD1-N 2.67Å; N489-L493 PolarHBondContact O-N 3.03Å; N489-L493 VanDerWaalsContact O-N 3.17Å
490	D	98.1	Very high	96.8	Very high	61 Å²	61	55 Å²	55	33%	0.326	29%	0.287	S	S	.	.	H	α-helix	trans	-57.7	-34.1	-179.7	-61.5	-14.2	0	0	0	112.9	I130 R425 L493 N494	I130-D490 HydrophobicContact CD1-CB 4.1Å; I130-D490 HydrophobicContact CG2-CB 4.23Å; R425-D490 IonicContact CZ-OD1 2.73Å; R425-D490 IonicContact NH1-OD1 3.81Å; R425-D490 PolarHBondContact NH1-OD1 3.4Å; R425-D490 IonicContact NH2-OD1 2.91Å; D490-L493 PolarHBondContact O-N 3.02Å; D490-N494 VanDerWaalsContact O-CB 3.29Å; D490-N494 WeakPolarHBondContact O-CB 3.38Å; D490-N494 PolarHBondContact O-N 2.97Å; D490-N494 PolarHBondContact O-ND2 3.48Å; D490-N494 VanDerWaalsContact O-ND2 3.1Å
491	N	97.9	Very high	96.8	Very high	118 Å²	118	59.4 Å²	59.4	63%	0.631	31%	0.314	S	S	*	.	H	α-helix	trans	-65.9	-45.2	178.3	-73.9	-30.5	0	0	0	111.7	N489 L493 N494 N495	N489-N491 PolarHBondContact O-N 2.75Å; N491-L493 VanDerWaalsContact C-N 3.33Å; N491-L493 PolarHBondContact O-N 3.32Å; N491-N494 PolarHBondContact O-N 3.48Å; N491-N495 VanDerWaalsContact O-CB 3.25Å; N491-N495 WeakPolarHBondContact O-CB 3.33Å; N491-N495 PolarHBondContact O-N 3.23Å; N491-N495 PolarHBondContact O-ND2 3.49Å; N491-N495 VanDerWaalsContact O-ND2 3.17Å
492	K	96.6	Very high	97	Very high	114 Å²	114	60.3 Å²	60.3	50%	0.496	32%	0.318	S	S	.	.	H	α-helix	trans	-61.2	-44.6	176.7	-179	174.2	172.8	178.1	0	110.8	D485 N489 N495 E496	D485-K492 HydrophobicContact CB-CD 4.23Å; D485-K492 IonicContact OD2-NZ 3.93Å; D485-K492 PolarHBondContact OD2-NZ 3.43Å; N489-K492 HydrophobicContact CB-CB 4.12Å; N489-K492 VanDerWaalsContact CG-CB 3.49Å; N489-K492 PolarHBondContact O-N 3.03Å; N489-K492 VanDerWaalsContact O-N 3.16Å; N489-K492 PolarHBondContact OD1-N 2.67Å; K492-N495 PolarHBondContact O-N 3.44Å; K492-E496 PolarHBondContact O-N 3.42Å
493	L	97.8	Very high	97	Very high	5 Å²	5	63 Å²	63	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-66.9	-41.7	179.7	-171	59.7	0	0	0	112.6	I130 A132 N421 R425 N489 D490 N491 N495 E496 Y497	I130-L493 HydrophobicContact CD1-CD2 4.02Å; A132-L493 HydrophobicContact CB-CD2 4.4Å; A132-L493 HydrophobicContact CB-CG 3.89Å; N421-L493 HydrophobicContact CB-CD1 3.56Å; R425-L493 HydrophobicContact CB-CD2 4.5Å; N489-L493 PolarHBondContact O-N 3.03Å; N489-L493 VanDerWaalsContact O-N 3.17Å; D490-L493 PolarHBondContact O-N 3.02Å; N491-L493 VanDerWaalsContact C-N 3.33Å; N491-L493 PolarHBondContact O-N 3.32Å; L493-N495 VanDerWaalsContact C-N 3.35Å; L493-E496 PolarHBondContact O-N 2.9Å; L493-Y497 HydrophobicContact CD1-CD2 4.44Å; L493-Y497 HydrophobicContact CD1-CE2 3.73Å; L493-Y497 HydrophobicContact CG-CE2 4.46Å; L493-Y497 VanDerWaalsContact O-CD2 3.28Å; L493-Y497 WeakPolarHBondContact O-CD2 3.37Å
494	N	98.4	Very high	97.1	Very high	32 Å²	32	66 Å²	66	17%	0.171	34%	0.342	C	S	.	.	H	α-helix	trans	-64	-40.2	174.1	-71.9	-30.4	0	0	0	112	V131 A132 D490 N491 E496 Y497 L498	V131-N494 PolarHBondContact N-OD1 3.4Å; A132-N494 WeakPolarHBondContact CB-OD1 3.33Å; A132-N494 PolarHBondContact N-OD1 3.3Å; D490-N494 VanDerWaalsContact O-CB 3.29Å; D490-N494 WeakPolarHBondContact O-CB 3.38Å; D490-N494 PolarHBondContact O-N 2.97Å; D490-N494 PolarHBondContact O-ND2 3.48Å; D490-N494 VanDerWaalsContact O-ND2 3.1Å; N491-N494 PolarHBondContact O-N 3.48Å; N494-E496 VanDerWaalsContact C-N 3.33Å; N494-E496 PolarHBondContact O-N 3.48Å; N494-Y497 CarbonylContact O-C 3.52Å; N494-Y497 PolarHBondContact O-N 3.07Å; N494-L498 PolarHBondContact O-N 2.95Å; N494-L498 VanDerWaalsContact O-N 3.11Å
495	N	97.6	Very high	97.4	Very high	106 Å²	106	66.9 Å²	66.9	57%	0.567	35%	0.347	S	S	*	.	H	α-helix	trans	-66.8	-33.9	179.5	-74.1	-21.2	0	0	0	112.4	N491 K492 L493 Y497 L498	N491-N495 VanDerWaalsContact O-CB 3.25Å; N491-N495 WeakPolarHBondContact O-CB 3.33Å; N491-N495 PolarHBondContact O-N 3.23Å; N491-N495 PolarHBondContact O-ND2 3.49Å; N491-N495 VanDerWaalsContact O-ND2 3.17Å; K492-N495 PolarHBondContact O-N 3.44Å; L493-N495 VanDerWaalsContact C-N 3.35Å; N495-Y497 PolarHBondContact O-N 2.91Å; N495-L498 WeakPolarHBondContact O-CB 3.3Å; N495-L498 PolarHBondContact O-N 3.33Å
496	E	96.4	Very high	97.6	Very high	49 Å²	49	66 Å²	66	23%	0.229	34%	0.341	C	S	.	.	H	α-helix	trans	-57.5	-37.9	174.7	177.5	166.4	-155.7	0	0	112	N421 K492 L493 N494 F517 K521	N421-E496 PolarHBondContact ND2-OE2 3.3Å; K492-E496 PolarHBondContact O-N 3.42Å; L493-E496 PolarHBondContact O-N 2.9Å; N494-E496 VanDerWaalsContact C-N 3.33Å; N494-E496 PolarHBondContact O-N 3.48Å; E496-F517 WeakPolarHBondContact O-CZ 3.41Å; E496-K521 IonicContact OE1-NZ 3.73Å; E496-K521 PolarHBondContact OE1-NZ 3.05Å; E496-K521 VanDerWaalsContact OE1-NZ 3.07Å
497	Y	98	Very high	97.7	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.016	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	18.2	-177.4	-53.5	-64.9	0	0	0	113	A132 K135 M419 N421 A422 L493 N494 N495 E499 L500	A132-Y497 HydrophobicContact CB-CD2 3.91Å; K135-Y497 PolarHBondContact NZ-O 2.82Å; M419-Y497 VanDerWaalsContact C-OH 3.26Å; M419-Y497 WeakPolarHBondContact CA-OH 3.46Å; M419-Y497 HydrophobicContact CB-CE1 4.08Å; M419-Y497 HydrophobicContact CE-CD1 3.82Å; M419-Y497 HydrophobicContact CE-CD2 3.76Å; M419-Y497 HydrophobicContact CE-CE1 4.2Å; M419-Y497 HydrophobicContact CE-CE2 4.14Å; M419-Y497 HydrophobicContact CE-CG 3.58Å; M419-Y497 HydrophobicContact CG-CD1 4.31Å; M419-Y497 HydrophobicContact CG-CE1 4.05Å; N421-Y497 PolarHBondContact N-OH 3.26Å; A422-Y497 HydrophobicContact CB-CD2 4.46Å; A422-Y497 HydrophobicContact CB-CE2 3.79Å; L493-Y497 HydrophobicContact CD1-CD2 4.44Å; L493-Y497 HydrophobicContact CD1-CE2 3.73Å; L493-Y497 HydrophobicContact CG-CE2 4.46Å; L493-Y497 VanDerWaalsContact O-CD2 3.28Å; L493-Y497 WeakPolarHBondContact O-CD2 3.37Å; N494-Y497 CarbonylContact O-C 3.52Å; N494-Y497 PolarHBondContact O-N 3.07Å; N495-Y497 PolarHBondContact O-N 2.91Å; Y497-E499 PolarHBondContact O-N 2.97Å; Y497-L500 HydrophobicContact CD1-CD1 3.84Å; Y497-L500 PolarHBondContact O-N 2.86Å
498	L	98	Very high	97.8	Very high	114 Å²	114	64.9 Å²	64.9	60%	0.597	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-43.9	-172.7	-177.7	62.5	0	0	0	112.5	K135 N494 N495 L500	K135-L498 PolarHBondContact NZ-O 3.35Å; N494-L498 PolarHBondContact O-N 2.95Å; N494-L498 VanDerWaalsContact O-N 3.11Å; N495-L498 WeakPolarHBondContact O-CB 3.3Å; N495-L498 PolarHBondContact O-N 3.33Å; L498-L500 PolarHBondContact O-N 2.76Å
499	E	97.2	Very high	98	Very high	122 Å²	122	63.4 Å²	63.4	57%	0.57	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-11	-177.4	-61.6	-174.2	170.1	0	0	113.7	Y497 F517 K524	Y497-E499 PolarHBondContact O-N 2.97Å; E499-F517 HydrophobicContact CB-CD2 4.18Å; E499-F517 HydrophobicContact CB-CE2 4.1Å; E499-K524 IonicContact OE1-NZ 3.02Å; E499-K524 IonicContact OE2-NZ 2.93Å
500	L	98.4	Very high	98	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	30%	0.302	C	S	.	.			trans	-90.5	132.2	-179.2	-64.2	165.6	0	0	0	110.6	K135 Y497 L498 Y502 Q513 F517	K135-L500 WeakPolarHBondContact CE-O 3.44Å; K135-L500 PolarHBondContact NZ-O 3.48Å; Y497-L500 HydrophobicContact CD1-CD1 3.84Å; Y497-L500 PolarHBondContact O-N 2.86Å; L498-L500 PolarHBondContact O-N 2.76Å; L500-Y502 HydrophobicContact CB-CE1 4.4Å; L500-Y502 HydrophobicContact CB-CE2 4.41Å; L500-Y502 WeakPolarHBondContact CD1-OH 3.24Å; L500-Y502 HydrophobicContact CD2-CE1 4.4Å; L500-Q513 HydrophobicContact CD2-CG 3.93Å; L500-F517 HydrophobicContact CD1-CD1 3.91Å; L500-F517 HydrophobicContact CD1-CE1 3.98Å; L500-F517 HydrophobicContact CD1-CG 4.27Å; L500-F517 HydrophobicContact CD1-CZ 4.39Å; L500-F517 HydrophobicContact CD2-CB 3.65Å; L500-F517 HydrophobicContact CD2-CD1 4.08Å; L500-F517 HydrophobicContact CD2-CD2 4.16Å; L500-F517 HydrophobicContact CD2-CG 3.69Å; L500-F517 HydrophobicContact CG-CD1 4.22Å; L500-F517 HydrophobicContact CG-CD2 4.21Å; L500-F517 HydrophobicContact CG-CG 4.06Å
501	T	98	Very high	98.1	Very high	99 Å²	99	58.2 Å²	58.2	61%	0.607	29%	0.289	S	S	*	.			trans	-138.9	110	175.2	-59.4	0	0	0	0	108.3	Q513	T501-Q513 PolarHBondContact O-NE2 2.91Å; T501-Q513 PolarHBondContact O-OE1 3.31Å
502	Y	98.7	Very high	98.1	Very high	19 Å²	19	53.1 Å²	53.1	8%	0.075	26%	0.262	C	S	.	.			trans	-98.9	151.9	-176.9	-55.7	-51.7	0	0	0	112.1	K135 L139 M419 L500 N510 N514	K135-Y502 HydrophobicContact CB-CD2 3.97Å; K135-Y502 HydrophobicContact CB-CE2 4.08Å; K135-Y502 HydrophobicContact CG-CD2 4.47Å; K135-Y502 WeakPolarHBondContact O-CD2 3.26Å; L139-Y502 HydrophobicContact CB-CD2 3.92Å; L139-Y502 HydrophobicContact CB-CE2 4.02Å; L139-Y502 HydrophobicContact CB-CG 4.35Å; L139-Y502 HydrophobicContact CD1-CD1 4.11Å; L139-Y502 HydrophobicContact CD1-CE1 4.12Å; L139-Y502 HydrophobicContact CD1-CG 4.32Å; L139-Y502 HydrophobicContact CD2-CE2 4.13Å; L139-Y502 HydrophobicContact CG-CE2 4.48Å; M419-Y502 HydrophobicContact SD-CE2 3.75Å; L500-Y502 HydrophobicContact CB-CE1 4.4Å; L500-Y502 HydrophobicContact CB-CE2 4.41Å; L500-Y502 WeakPolarHBondContact CD1-OH 3.24Å; L500-Y502 HydrophobicContact CD2-CE1 4.4Å; Y502-N510 WeakPolarHBondContact CA-OD1 3.34Å; Y502-N510 HydrophobicContact CD1-CB 3.74Å; Y502-N510 HydrophobicContact CE1-CB 4.27Å; Y502-N514 WeakPolarHBondContact CE1-OD1 3.37Å; Y502-N514 PolarHBondContact OH-OD1 2.86Å
503	K	98.5	Very high	98.2	Very high	101 Å²	101	50.3 Å²	50.3	44%	0.439	25%	0.25	S	S	.	.			trans	-122.1	143.3	170.1	-64.4	166.8	176.3	176.1	0	110.3	S142 D505 E506 N510	S142-K503 WeakPolarHBondContact CB-O 3.36Å; K503-D505 VanDerWaalsContact C-N 3.29Å; K503-D505 PolarHBondContact O-N 2.91Å; K503-E506 HydrophobicContact CB-CB 4.08Å; K503-E506 HydrophobicContact CB-CG 4.35Å; K503-E506 HydrophobicContact CD-CB 4.28Å; K503-E506 HydrophobicContact CD-CG 4Å; K503-E506 WeakPolarHBondContact CD-OE1 3.42Å; K503-E506 WeakPolarHBondContact CD-OE2 3.14Å; K503-E506 IonicContact NZ-OE1 2.82Å; K503-E506 PolarHBondContact NZ-OE1 3.44Å; K503-E506 IonicContact NZ-OE2 2.89Å; K503-E506 PolarHBondContact NZ-OE2 2.88Å; K503-E506 PolarHBondContact O-N 2.84Å; K503-N510 PolarHBondContact N-OD1 3.02Å; K503-N510 VanDerWaalsContact N-OD1 3.13Å; K503-N510 PolarHBondContact O-ND2 3.45Å
504	E	97.8	Very high	98.3	Very high	89 Å²	89	50.3 Å²	50.3	42%	0.416	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-21	-173.8	-63.7	-168.4	-171.5	0	0	113.9	T138 R141 S142	T138-E504 HydrophobicContact CG2-CG 3.71Å; R141-E504 IonicContact CZ-OE1 2.82Å; R141-E504 VanDerWaalsContact CZ-OE1 3.24Å; R141-E504 VanDerWaalsContact NE-CD 3.3Å; R141-E504 IonicContact NE-OE1 2.65Å; R141-E504 PolarHBondContact NE-OE1 2.88Å; R141-E504 IonicContact NE-OE2 4Å; R141-E504 PolarHBondContact NE-OE2 3.31Å; R141-E504 IonicContact NH2-OE1 2.73Å; R141-E504 PolarHBondContact NH2-OE1 3.02Å; S142-E504 WeakPolarHBondContact CA-O 3.04Å; S142-E504 WeakPolarHBondContact CB-O 3.01Å
505	D	97.8	Very high	98.3	Very high	99 Å²	99	51.5 Å²	51.5	53%	0.529	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-4.5	179.9	59.2	-26.2	0	0	0	113.5	R152 K503	R152-D505 PolarHBondContact NH1-O 3.25Å; K503-D505 VanDerWaalsContact C-N 3.29Å; K503-D505 PolarHBondContact O-N 2.91Å
506	E	98.3	Very high	98.3	Very high	52 Å²	52	50.1 Å²	50.1	24%	0.243	25%	0.245	C	C	.	.			trans	-117.3	52.1	-174.5	-62.1	-177.4	-165.7	0	0	113.6	K503 F508 E509 N510	K503-E506 HydrophobicContact CB-CB 4.08Å; K503-E506 HydrophobicContact CB-CG 4.35Å; K503-E506 HydrophobicContact CD-CB 4.28Å; K503-E506 HydrophobicContact CD-CG 4Å; K503-E506 WeakPolarHBondContact CD-OE1 3.42Å; K503-E506 WeakPolarHBondContact CD-OE2 3.14Å; K503-E506 IonicContact NZ-OE1 2.82Å; K503-E506 PolarHBondContact NZ-OE1 3.44Å; K503-E506 IonicContact NZ-OE2 2.89Å; K503-E506 PolarHBondContact NZ-OE2 2.88Å; K503-E506 PolarHBondContact O-N 2.84Å; E506-F508 VanDerWaalsContact C-N 3.32Å; E506-F508 PolarHBondContact O-N 3.46Å; E506-E509 HydrophobicContact CB-CB 4.03Å; E506-E509 HydrophobicContact CB-CG 4.3Å; E506-E509 WeakPolarHBondContact CB-OE2 3.26Å; E506-E509 PolarHBondContact O-N 3.33Å; E506-E509 VanDerWaalsContact O-N 3.13Å; E506-N510 PolarHBondContact O-N 2.89Å; E506-N510 PolarHBondContact O-ND2 2.69Å; E506-N510 PolarHBondContact O-OD1 2.89Å
507	Y	98.8	Very high	98.4	Very high	21 Å²	21	49.5 Å²	49.5	8%	0.082	24%	0.242	C	C	.	.	H	α-helix	trans	-54.6	-43.5	-178.9	179	-118.3	0	0	0	113.7	S142 C143 I149 Y414 E509 N510 I511	S142-Y507 WeakPolarHBondContact O-CB 3.5Å; C143-Y507 HydrophobicContact CB-CD2 3.68Å; C143-Y507 HydrophobicContact CB-CE2 3.4Å; C143-Y507 VanDerWaalsContact CB-CE2 3.4Å; C143-Y507 HydrophobicContact CB-CG 4.46Å; I149-Y507 HydrophobicContact CD1-CD1 3.71Å; I149-Y507 HydrophobicContact CD1-CE1 4.48Å; I149-Y507 HydrophobicContact CD1-CG 4.15Å; I149-Y507 HydrophobicContact CG1-CD1 4.34Å; Y414-Y507 HydrophobicContact CD1-CE2 4.14Å; Y414-Y507 HydrophobicContact CE1-CE2 4.09Å; Y507-E509 VanDerWaalsContact C-N 3.33Å; Y507-E509 PolarHBondContact O-N 3.37Å; Y507-N510 WeakPolarHBondContact O-CB 3.38Å; Y507-N510 PolarHBondContact O-N 3.41Å; Y507-N510 VanDerWaalsContact O-N 3.15Å; Y507-I511 HydrophobicContact CD1-CG2 4.44Å; Y507-I511 HydrophobicContact CD2-CG2 4.09Å; Y507-I511 HydrophobicContact CE1-CG2 3.96Å; Y507-I511 HydrophobicContact CE2-CG2 3.56Å; Y507-I511 VanDerWaalsContact CZ-CG2 3.49Å; Y507-I511 WeakPolarHBondContact O-CG2 3.43Å; Y507-I511 PolarHBondContact O-N 3.43Å
508	F	98.9	Very high	98.4	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.039	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-41.6	179.1	-170.6	-88.8	0	0	0	111.8	P156 L157 L160 L379 L383 E506 N510 I511 I512	P156-F508 HydrophobicContact CB-CB 3.65Å; P156-F508 HydrophobicContact CB-CD1 3.27Å; P156-F508 HydrophobicContact CB-CD2 4Å; P156-F508 HydrophobicContact CB-CE1 3.81Å; P156-F508 HydrophobicContact CB-CE2 4.45Å; P156-F508 HydrophobicContact CB-CG 3.36Å; P156-F508 HydrophobicContact CB-CZ 4.36Å; P156-F508 HydrophobicContact CG-CB 4.14Å; P156-F508 HydrophobicContact CG-CG 4.29Å; P156-F508 WeakPolarHBondContact O-CE1 3.27Å; L157-F508 HydrophobicContact CB-CZ 4.26Å; L160-F508 HydrophobicContact CB-CE1 4.45Å; L160-F508 HydrophobicContact CD1-CE1 4.04Å; L160-F508 HydrophobicContact CD1-CZ 4.24Å; L379-F508 HydrophobicContact CB-CE2 4.24Å; L379-F508 HydrophobicContact CD1-CE2 4.47Å; L379-F508 HydrophobicContact CD1-CZ 4.12Å; L379-F508 HydrophobicContact CD2-CE2 4.25Å; L379-F508 HydrophobicContact CD2-CZ 4.4Å; L383-F508 HydrophobicContact CD2-CD2 3.61Å; L383-F508 HydrophobicContact CD2-CE2 3.65Å; L383-F508 HydrophobicContact CG-CD2 4.43Å; L383-F508 HydrophobicContact CG-CE2 4.28Å; E506-F508 VanDerWaalsContact C-N 3.32Å; E506-F508 PolarHBondContact O-N 3.46Å; F508-N510 VanDerWaalsContact C-N 3.34Å; F508-I511 HydrophobicContact CD2-CD1 4.16Å; F508-I511 HydrophobicContact CE2-CD1 4.49Å; F508-I511 WeakPolarHBondContact O-CG1 3.27Å; F508-I511 PolarHBondContact O-N 3.35Å; F508-I512 HydrophobicContact CD1-CG1 3.96Å; F508-I512 HydrophobicContact CE1-CD1 4.2Å; F508-I512 HydrophobicContact CE1-CG1 3.72Å; F508-I512 HydrophobicContact CZ-CD1 4.38Å; F508-I512 HydrophobicContact CZ-CG1 4.35Å; F508-I512 VanDerWaalsContact O-CG1 3.28Å; F508-I512 WeakPolarHBondContact O-CG1 3.19Å; F508-I512 PolarHBondContact O-N 2.68Å; F508-I512 VanDerWaalsContact O-N 3.1Å
509	E	98.8	Very high	98.4	Very high	56 Å²	56	47.8 Å²	47.8	26%	0.262	24%	0.239	S	C	.	.	H	α-helix	trans	-66.7	-37.7	175.7	-69.2	70.6	-165.9	0	0	111.6	R152 E506 Y507 I511 I512 Q513	R152-E509 IonicContact CZ-OE1 2.74Å; R152-E509 IonicContact CZ-OE2 2.84Å; R152-E509 VanDerWaalsContact CZ-OE2 3.27Å; R152-E509 IonicContact NH1-OE1 3.24Å; R152-E509 IonicContact NH1-OE2 3.77Å; R152-E509 PolarHBondContact NH1-OE2 2.84Å; R152-E509 IonicContact NH2-OE1 3.31Å; R152-E509 PolarHBondContact NH2-OE1 3.28Å; R152-E509 IonicContact NH2-OE2 2.7Å; R152-E509 PolarHBondContact NH2-OE2 2.89Å; E506-E509 HydrophobicContact CB-CB 4.03Å; E506-E509 HydrophobicContact CB-CG 4.3Å; E506-E509 WeakPolarHBondContact CB-OE2 3.26Å; E506-E509 PolarHBondContact O-N 3.33Å; E506-E509 VanDerWaalsContact O-N 3.13Å; Y507-E509 VanDerWaalsContact C-N 3.33Å; Y507-E509 PolarHBondContact O-N 3.37Å; E509-I511 PolarHBondContact O-N 2.94Å; E509-I512 PolarHBondContact O-N 3.27Å; E509-Q513 WeakPolarHBondContact O-CB 3.4Å; E509-Q513 PolarHBondContact O-N 3.4Å
510	N	98.8	Very high	98.5	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-43.6	175.7	-61.9	-23.8	0	0	0	111.5	L139 S142 Y502 K503 E506 Y507 F508 I512 Q513 N514	L139-N510 HydrophobicContact CD1-CB 3.59Å; S142-N510 WeakPolarHBondContact CB-ND2 3.41Å; S142-N510 PolarHBondContact OG-ND2 2.81Å; Y502-N510 WeakPolarHBondContact CA-OD1 3.34Å; Y502-N510 HydrophobicContact CD1-CB 3.74Å; Y502-N510 HydrophobicContact CE1-CB 4.27Å; K503-N510 PolarHBondContact N-OD1 3.02Å; K503-N510 VanDerWaalsContact N-OD1 3.13Å; K503-N510 PolarHBondContact O-ND2 3.45Å; E506-N510 PolarHBondContact O-N 2.89Å; E506-N510 PolarHBondContact O-ND2 2.69Å; E506-N510 PolarHBondContact O-OD1 2.89Å; Y507-N510 WeakPolarHBondContact O-CB 3.38Å; Y507-N510 PolarHBondContact O-N 3.41Å; Y507-N510 VanDerWaalsContact O-N 3.15Å; F508-N510 VanDerWaalsContact C-N 3.34Å; N510-I512 PolarHBondContact O-N 3.03Å; N510-Q513 WeakPolarHBondContact O-CB 3.26Å; N510-Q513 PolarHBondContact O-N 3.31Å; N510-N514 PolarHBondContact O-N 3.11Å
511	I	98.6	Very high	98.4	Very high	9 Å²	9	46.9 Å²	46.9	5%	0.046	24%	0.236	C	C	.	.	H	α-helix	trans	-65.9	-39	177	69.8	167.4	0	0	0	112	L379 S382 Y414 Y507 F508 E509 Q513 N514 L515	L379-I511 HydrophobicContact CD2-CD1 4.01Å; S382-I511 VanDerWaalsContact CB-CD1 3.47Å; Y414-I511 HydrophobicContact CE1-CG2 3.84Å; Y414-I511 HydrophobicContact CE2-CG2 4.21Å; Y414-I511 VanDerWaalsContact OH-CA 3.27Å; Y414-I511 WeakPolarHBondContact OH-CA 3.2Å; Y414-I511 WeakPolarHBondContact OH-CB 3.45Å; Y414-I511 VanDerWaalsContact OH-CG2 3.3Å; Y414-I511 WeakPolarHBondContact OH-CG2 3.36Å; Y507-I511 HydrophobicContact CD1-CG2 4.44Å; Y507-I511 HydrophobicContact CD2-CG2 4.09Å; Y507-I511 HydrophobicContact CE1-CG2 3.96Å; Y507-I511 HydrophobicContact CE2-CG2 3.56Å; Y507-I511 VanDerWaalsContact CZ-CG2 3.49Å; Y507-I511 WeakPolarHBondContact O-CG2 3.43Å; Y507-I511 PolarHBondContact O-N 3.43Å; F508-I511 HydrophobicContact CD2-CD1 4.16Å; F508-I511 HydrophobicContact CE2-CD1 4.49Å; F508-I511 WeakPolarHBondContact O-CG1 3.27Å; F508-I511 PolarHBondContact O-N 3.35Å; E509-I511 PolarHBondContact O-N 2.94Å; I511-Q513 VanDerWaalsContact C-N 3.3Å; I511-Q513 PolarHBondContact O-N 2.68Å; I511-N514 PolarHBondContact O-N 2.84Å; I511-L515 WeakPolarHBondContact O-CG 3.32Å; I511-L515 PolarHBondContact O-N 3.03Å
512	I	98.8	Very high	98.4	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.062	22%	0.221	C	C	.	.	H	α-helix	trans	-67.4	-35.7	177.5	-68	-55	0	0	0	110.5	L160 Y195 F375 L379 F508 E509 N510 L515 K516	L160-I512 HydrophobicContact CD1-CD1 3.43Å; L160-I512 VanDerWaalsContact CD1-CD1 3.43Å; L160-I512 HydrophobicContact CD1-CG1 3.9Å; Y195-I512 HydrophobicContact CD1-CD1 4.22Å; Y195-I512 HydrophobicContact CD1-CG2 4.42Å; Y195-I512 HydrophobicContact CE1-CD1 4.17Å; Y195-I512 HydrophobicContact CE1-CG2 3.81Å; F375-I512 HydrophobicContact CZ-CD1 4.07Å; L379-I512 HydrophobicContact CD2-CD1 4.06Å; F508-I512 HydrophobicContact CD1-CG1 3.96Å; F508-I512 HydrophobicContact CE1-CD1 4.2Å; F508-I512 HydrophobicContact CE1-CG1 3.72Å; F508-I512 HydrophobicContact CZ-CD1 4.38Å; F508-I512 HydrophobicContact CZ-CG1 4.35Å; F508-I512 VanDerWaalsContact O-CG1 3.28Å; F508-I512 WeakPolarHBondContact O-CG1 3.19Å; F508-I512 PolarHBondContact O-N 2.68Å; F508-I512 VanDerWaalsContact O-N 3.1Å; E509-I512 PolarHBondContact O-N 3.27Å; N510-I512 PolarHBondContact O-N 3.03Å; I512-L515 HydrophobicContact CD1-CD1 4.15Å; I512-L515 PolarHBondContact O-N 2.84Å; I512-K516 HydrophobicContact CG2-CD 4.12Å; I512-K516 WeakPolarHBondContact O-CG 3.49Å; I512-K516 PolarHBondContact O-N 3.09Å; I512-K516 VanDerWaalsContact O-N 3.12Å
513	Q	98.7	Very high	98.4	Very high	55 Å²	55	44.2 Å²	44.2	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-63.9	-43.1	173.7	-169.3	-177.5	87.7	0	0	111.1	L500 T501 E509 N510 I511 K516 F517	L500-Q513 HydrophobicContact CD2-CG 3.93Å; T501-Q513 PolarHBondContact O-NE2 2.91Å; T501-Q513 PolarHBondContact O-OE1 3.31Å; E509-Q513 WeakPolarHBondContact O-CB 3.4Å; E509-Q513 PolarHBondContact O-N 3.4Å; N510-Q513 WeakPolarHBondContact O-CB 3.26Å; N510-Q513 PolarHBondContact O-N 3.31Å; I511-Q513 VanDerWaalsContact C-N 3.3Å; I511-Q513 PolarHBondContact O-N 2.68Å; Q513-K516 PolarHBondContact O-N 3.25Å; Q513-F517 VanDerWaalsContact O-CB 3.29Å; Q513-F517 WeakPolarHBondContact O-CB 3.26Å; Q513-F517 PolarHBondContact O-N 3.21Å
514	N	98.8	Very high	98.4	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-44	176	-73.6	-14.4	0	0	0	112.6	Y414 N418 Y502 N510 I511 K516 F517 S518	Y414-N514 PolarHBondContact OH-ND2 3.19Å; N418-N514 WeakPolarHBondContact OD1-CB 3.15Å; Y502-N514 WeakPolarHBondContact CE1-OD1 3.37Å; Y502-N514 PolarHBondContact OH-OD1 2.86Å; N510-N514 PolarHBondContact O-N 3.11Å; I511-N514 PolarHBondContact O-N 2.84Å; N514-K516 PolarHBondContact O-N 3.17Å; N514-F517 PolarHBondContact O-N 3.12Å; N514-S518 WeakPolarHBondContact O-CB 3.36Å; N514-S518 PolarHBondContact O-N 2.96Å
515	L	98.6	Very high	98.4	Very high	57 Å²	57	42 Å²	42	30%	0.298	21%	0.207	S	C	.	.	H	α-helix	trans	-58.5	-48.1	176	-70.8	179.5	0	0	0	111.8	F375 I511 I512 Q519	F375-L515 HydrophobicContact CE2-CD1 3.82Å; F375-L515 HydrophobicContact CZ-CD1 4Å; I511-L515 WeakPolarHBondContact O-CG 3.32Å; I511-L515 PolarHBondContact O-N 3.03Å; I512-L515 HydrophobicContact CD1-CD1 4.15Å; I512-L515 PolarHBondContact O-N 2.84Å; L515-Q519 WeakPolarHBondContact O-CB 3.43Å; L515-Q519 PolarHBondContact O-N 3.04Å; L515-Q519 VanDerWaalsContact O-N 3.09Å
516	K	98.7	Very high	98.4	Very high	78 Å²	78	37.6 Å²	37.6	34%	0.339	18%	0.183	S	C	.	.	H	α-helix	trans	-61.2	-46.4	177.3	-73.1	168.1	-177.2	174.8	0	111.8	K194 I512 Q513 N514 S520	K194-K516 VanDerWaalsContact CE-CE 3.45Å; K194-K516 HydrophobicContact CG-CD 4.27Å; K194-K516 HydrophobicContact CG-CG 3.94Å; K194-K516 WeakPolarHBondContact O-CA 3.29Å; K194-K516 WeakPolarHBondContact O-CG 3.44Å; I512-K516 HydrophobicContact CG2-CD 4.12Å; I512-K516 WeakPolarHBondContact O-CG 3.49Å; I512-K516 PolarHBondContact O-N 3.09Å; I512-K516 VanDerWaalsContact O-N 3.12Å; Q513-K516 PolarHBondContact O-N 3.25Å; N514-K516 PolarHBondContact O-N 3.17Å; K516-S520 VanDerWaalsContact O-CB 3.28Å; K516-S520 WeakPolarHBondContact O-CB 3.47Å; K516-S520 PolarHBondContact O-N 2.86Å
517	F	98.6	Very high	98.4	Very high	35 Å²	35	41 Å²	41	15%	0.154	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-50.8	-178.5	175.3	-102.4	0	0	0	111.7	E496 E499 L500 Q513 N514 Q519 S520 K521	E496-F517 WeakPolarHBondContact O-CZ 3.41Å; E499-F517 HydrophobicContact CB-CD2 4.18Å; E499-F517 HydrophobicContact CB-CE2 4.1Å; L500-F517 HydrophobicContact CD1-CD1 3.91Å; L500-F517 HydrophobicContact CD1-CE1 3.98Å; L500-F517 HydrophobicContact CD1-CG 4.27Å; L500-F517 HydrophobicContact CD1-CZ 4.39Å; L500-F517 HydrophobicContact CD2-CB 3.65Å; L500-F517 HydrophobicContact CD2-CD1 4.08Å; L500-F517 HydrophobicContact CD2-CD2 4.16Å; L500-F517 HydrophobicContact CD2-CG 3.69Å; L500-F517 HydrophobicContact CG-CD1 4.22Å; L500-F517 HydrophobicContact CG-CD2 4.21Å; L500-F517 HydrophobicContact CG-CG 4.06Å; Q513-F517 VanDerWaalsContact O-CB 3.29Å; Q513-F517 WeakPolarHBondContact O-CB 3.26Å; Q513-F517 PolarHBondContact O-N 3.21Å; N514-F517 PolarHBondContact O-N 3.12Å; F517-Q519 VanDerWaalsContact C-N 3.33Å; F517-Q519 PolarHBondContact O-N 2.7Å; F517-S520 PolarHBondContact O-N 3.27Å; F517-K521 HydrophobicContact CE1-CD 4.48Å; F517-K521 WeakPolarHBondContact O-CB 3.44Å; F517-K521 PolarHBondContact O-N 3.4Å
518	S	97.8	Very high	98.4	Very high	73 Å²	73	45.8 Å²	45.8	51%	0.51	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-43	179.7	-177.6	0	0	0	0	111.7	N514 K521 Q522	N514-S518 WeakPolarHBondContact O-CB 3.36Å; N514-S518 PolarHBondContact O-N 2.96Å; S518-K521 PolarHBondContact O-N 2.95Å; S518-Q522 PolarHBondContact O-N 3.45Å
519	Q	98.3	Very high	98.3	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-68.4	-42.7	178.9	-174.4	63.5	17.6	0	0	111.5	N192 S193 L515 F517 K521 Q522 L523	N192-Q519 VanDerWaalsContact O-CG 3.26Å; N192-Q519 WeakPolarHBondContact O-CG 3.24Å; N192-Q519 PolarHBondContact O-NE2 3.12Å; N192-Q519 PolarHBondContact OD1-NE2 2.99Å; N192-Q519 VanDerWaalsContact OD1-NE2 3.15Å; S193-Q519 WeakPolarHBondContact O-CG 3.32Å; L515-Q519 WeakPolarHBondContact O-CB 3.43Å; L515-Q519 PolarHBondContact O-N 3.04Å; L515-Q519 VanDerWaalsContact O-N 3.09Å; F517-Q519 VanDerWaalsContact C-N 3.33Å; F517-Q519 PolarHBondContact O-N 2.7Å; Q519-K521 VanDerWaalsContact C-N 3.35Å; Q519-K521 PolarHBondContact O-N 3.23Å; Q519-Q522 PolarHBondContact O-N 2.04Å; Q519-L523 HydrophobicContact CG-CD1 4.13Å; Q519-L523 HydrophobicContact CG-CG 4.39Å; Q519-L523 WeakPolarHBondContact O-CG 3.42Å; Q519-L523 PolarHBondContact O-N 3.12Å
520	S	98.4	Very high	98.2	Very high	26 Å²	26	50.8 Å²	50.8	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-44.1	174.9	-170.6	0	0	0	0	111.8	K516 F517 Q522 L523 K524	K516-S520 VanDerWaalsContact O-CB 3.28Å; K516-S520 WeakPolarHBondContact O-CB 3.47Å; K516-S520 PolarHBondContact O-N 2.86Å; F517-S520 PolarHBondContact O-N 3.27Å; S520-Q522 VanDerWaalsContact C-N 3.34Å; S520-Q522 PolarHBondContact O-N 3.14Å; S520-L523 PolarHBondContact O-N 2.88Å; S520-K524 WeakPolarHBondContact O-CB 3.47Å; S520-K524 VanDerWaalsContact O-CG 3.31Å; S520-K524 WeakPolarHBondContact O-CG 3.31Å; S520-K524 PolarHBondContact O-N 2.93Å; S520-K524 WeakPolarHBondContact OG-CE 3.4Å
521	K	97	Very high	97.8	Very high	78 Å²	78	54.8 Å²	54.8	34%	0.339	26%	0.26	S	S	.	.	H	α-helix	trans	-57.7	-44.9	175.1	-171.6	178.7	179.8	-177.6	0	111	E496 F517 S518 Q519	E496-K521 IonicContact OE1-NZ 3.73Å; E496-K521 PolarHBondContact OE1-NZ 3.05Å; E496-K521 VanDerWaalsContact OE1-NZ 3.07Å; F517-K521 HydrophobicContact CE1-CD 4.48Å; F517-K521 WeakPolarHBondContact O-CB 3.44Å; F517-K521 PolarHBondContact O-N 3.4Å; S518-K521 PolarHBondContact O-N 2.95Å; Q519-K521 VanDerWaalsContact C-N 3.35Å; Q519-K521 PolarHBondContact O-N 3.23Å
522	Q	97.9	Very high	97.1	Very high	62 Å²	62	56.4 Å²	56.4	29%	0.29	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-48.5	176.5	177.9	175.5	91.5	0	0	112.3	V205 S518 Q519 S520 K524 K525	V205-Q522 HydrophobicContact CB-CG 4.44Å; V205-Q522 WeakPolarHBondContact O-CG 3.14Å; S518-Q522 PolarHBondContact O-N 3.45Å; Q519-Q522 PolarHBondContact O-N 2.04Å; S520-Q522 VanDerWaalsContact C-N 3.34Å; S520-Q522 PolarHBondContact O-N 3.14Å; Q522-K524 PolarHBondContact O-N 3.06Å; Q522-K525 WeakPolarHBondContact O-CB 3.32Å; Q522-K525 PolarHBondContact O-N 3.39Å
523	L	98.8	Very high	96.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-38.4	-176.2	-65.4	177	0	0	0	112.6	F203 V205 I330 M331 V334 Q519 S520 K525 L526	F203-L523 HydrophobicContact CE1-CD2 3.88Å; V205-L523 HydrophobicContact CG2-CD2 4Å; I330-L523 HydrophobicContact CG2-CD1 3.78Å; I330-L523 HydrophobicContact CG2-CD2 3.88Å; M331-L523 HydrophobicContact CE-CB 4.47Å; M331-L523 HydrophobicContact SD-CB 4.5Å; M331-L523 HydrophobicContact SD-CD2 3.93Å; V334-L523 HydrophobicContact CB-CB 4.49Å; V334-L523 HydrophobicContact CG1-CB 3.9Å; V334-L523 HydrophobicContact CG2-CB 3.82Å; Q519-L523 HydrophobicContact CG-CD1 4.13Å; Q519-L523 HydrophobicContact CG-CG 4.39Å; Q519-L523 WeakPolarHBondContact O-CG 3.42Å; Q519-L523 PolarHBondContact O-N 3.12Å; S520-L523 PolarHBondContact O-N 2.88Å; L523-K525 PolarHBondContact O-N 3.26Å; L523-L526 PolarHBondContact O-N 3.4Å
524	K	98.4	Very high	96	Very high	92 Å²	92	61 Å²	61	40%	0.4	29%	0.291	S	S	.	.	H	α-helix	trans	-59	-26.2	176	-75.9	173.5	-178.9	173.5	0	112.6	V334 E499 S520 Q522 L526	V334-K524 HydrophobicContact CB-CG 3.92Å; V334-K524 HydrophobicContact CG1-CG 3.84Å; E499-K524 IonicContact OE1-NZ 3.02Å; E499-K524 IonicContact OE2-NZ 2.93Å; S520-K524 WeakPolarHBondContact O-CB 3.47Å; S520-K524 VanDerWaalsContact O-CG 3.31Å; S520-K524 WeakPolarHBondContact O-CG 3.31Å; S520-K524 PolarHBondContact O-N 2.93Å; S520-K524 WeakPolarHBondContact OG-CE 3.4Å; Q522-K524 PolarHBondContact O-N 3.06Å; K524-L526 PolarHBondContact O-N 3.22Å; K524-L526 VanDerWaalsContact O-N 3.15Å
525	K	98	Very high	95.8	Very high	53 Å²	53	62.3 Å²	62.3	23%	0.23	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-64.7	-15.5	-179.7	-71.7	-172	178.9	-168.4	0	113.9	V205 H215 Q522 L523 R527 E528 E534	V205-K525 HydrophobicContact CG1-CB 4.48Å; H215-K525 WeakPolarHBondContact CB-O 3.46Å; H215-K525 PolarHBondContact ND1-O 2.78Å; Q522-K525 WeakPolarHBondContact O-CB 3.32Å; Q522-K525 PolarHBondContact O-N 3.39Å; L523-K525 PolarHBondContact O-N 3.26Å; K525-R527 VanDerWaalsContact C-N 3.25Å; K525-R527 PolarHBondContact O-N 3.49Å; K525-R527 VanDerWaalsContact O-N 3.09Å; K525-E528 PolarHBondContact O-N 3.1Å; K525-E534 VanDerWaalsContact NZ-CD 3.29Å; K525-E534 IonicContact NZ-OE1 3.54Å; K525-E534 PolarHBondContact NZ-OE1 3.01Å; K525-E534 IonicContact NZ-OE2 3.74Å; K525-E534 PolarHBondContact NZ-OE2 3.22Å
526	L	98.6	Very high	95.5	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.026	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-54.6	-37.2	-172	-179.7	60.5	0	0	0	114.2	V205 I217 M331 I336 I338 L523 K524	V205-L526 HydrophobicContact CG1-CB 3.87Å; V205-L526 HydrophobicContact CG1-CD1 4.18Å; V205-L526 HydrophobicContact CG2-CB 4.08Å; V205-L526 HydrophobicContact CG2-CD1 4.37Å; I217-L526 HydrophobicContact CD1-CD2 3.85Å; I217-L526 HydrophobicContact CG1-CD1 3.87Å; I217-L526 HydrophobicContact CG1-CD2 3.93Å; M331-L526 HydrophobicContact CE-CB 4.04Å; M331-L526 HydrophobicContact CE-CD2 3.56Å; M331-L526 HydrophobicContact CE-CG 4.45Å; M331-L526 HydrophobicContact SD-CD2 4.4Å; I336-L526 HydrophobicContact CD1-CB 4.32Å; I336-L526 HydrophobicContact CG2-CD2 4.28Å; I338-L526 HydrophobicContact CD1-CD2 3.75Å; L523-L526 PolarHBondContact O-N 3.4Å; K524-L526 PolarHBondContact O-N 3.22Å; K524-L526 VanDerWaalsContact O-N 3.15Å
527	R	97.8	Very high	95.4	Very high	123 Å²	123	59.2 Å²	59.2	46%	0.464	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-103.4	0.6	179.3	-55.8	-53.8	-178.2	-145.7	3.3	113.3	I336 E342 K525	I336-R527 HydrophobicContact CD1-CG 4.32Å; E342-R527 IonicContact OE1-CZ 3.51Å; E342-R527 VanDerWaalsContact OE1-CZ 3.31Å; E342-R527 IonicContact OE1-NH1 2.79Å; E342-R527 PolarHBondContact OE1-NH1 3.15Å; E342-R527 IonicContact OE1-NH2 3.74Å; E342-R527 PolarHBondContact OE1-NH2 3.14Å; E342-R527 IonicContact OE2-CZ 3.43Å; E342-R527 IonicContact OE2-NH1 3.66Å; E342-R527 IonicContact OE2-NH2 3.97Å; E342-R527 PolarHBondContact OE2-NH2 3.17Å; K525-R527 VanDerWaalsContact C-N 3.25Å; K525-R527 PolarHBondContact O-N 3.49Å; K525-R527 VanDerWaalsContact O-N 3.09Å
528	E	97.4	Very high	95.3	Very high	122 Å²	122	57.7 Å²	57.7	57%	0.57	28%	0.277	S	S	*	.	S	Bend	trans	-90.5	152.9	176.3	-60.1	-60.2	158.8	0	0	110.6	H215 K525	H215-E528 PolarHBondContact ND1-O 3.21Å; K525-E528 PolarHBondContact O-N 3.1Å
529	K	97.4	Very high	95.3	Very high	157 Å²	157	54.2 Å²	54.2	68%	0.683	25%	0.254	S	S	*	.	B	Isolated β-bridge	trans	-73.8	152.4	170.3	-69.4	-169.7	176	-173.6	0	110.5	T213 D531	T213-K529 WeakPolarHBondContact O-CA 3.13Å; K529-D531 PolarHBondContact O-N 2.69Å
530	V	96.4	Very high	95.3	Very high	14 Å²	14	53.9 Å²	53.9	9%	0.085	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-67.2	119.2	170.3	178.8	0	0	0	0	108.8	T207 S212 T213 K532	T207-V530 HydrophobicContact CG2-CG2 3.98Å; S212-V530 WeakPolarHBondContact O-CB 3.3Å; S212-V530 WeakPolarHBondContact O-CG2 3.14Å; T213-V530 PolarHBondContact O-N 3.38Å; V530-K532 HydrophobicContact CG1-CG 4.32Å; V530-K532 PolarHBondContact O-N 3.49Å
531	D	90.9	Very high	95.3	Very high	87 Å²	87	54.3 Å²	54.3	47%	0.465	25%	0.254	S	S	.	.			trans	-75.8	98.5	168.2	178.7	-1.9	0	0	0	108.7	K529 D533 E534 R550	K529-D531 PolarHBondContact O-N 2.69Å; D531-D533 PolarHBondContact O-N 3.19Å; D531-D533 WeakPolarHBondContact OD1-CA 3.46Å; D531-D533 WeakPolarHBondContact OD1-CB 3.38Å; D531-D533 PolarHBondContact OD1-N 3.33Å; D531-E534 HydrophobicContact CB-CB 4.3Å; D531-E534 WeakPolarHBondContact O-CB 3.39Å; D531-E534 PolarHBondContact O-N 2.99Å; D531-E534 PolarHBondContact OD1-N 2.88Å; D531-R550 PolarHBondContact O-NH1 3.39Å; D531-R550 PolarHBondContact O-NH2 3.49Å
532	K	84.3	Confident	95.4	Very high	42 Å²	42	50.9 Å²	50.9	18%	0.183	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-5.2	180	-66	-165.7	175.3	-171.4	0	113.6	S212 V530 D600	S212-K532 WeakPolarHBondContact O-CE 3.23Å; S212-K532 PolarHBondContact OG-NZ 2.68Å; V530-K532 HydrophobicContact CG1-CG 4.32Å; V530-K532 PolarHBondContact O-N 3.49Å; K532-D600 PolarHBondContact NZ-O 2.79Å
533	D	83.1	Confident	95.3	Very high	101 Å²	101	50.4 Å²	50.4	54%	0.54	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-17.3	174.7	-64.8	-40.2	0	0	0	113.6	R479 D531 W535	R479-D533 IonicContact CZ-OD1 2.93Å; R479-D533 IonicContact NH2-OD1 2.65Å; R479-D533 PolarHBondContact NH2-OD1 3.02Å; D531-D533 PolarHBondContact O-N 3.19Å; D531-D533 WeakPolarHBondContact OD1-CA 3.46Å; D531-D533 WeakPolarHBondContact OD1-CB 3.38Å; D531-D533 PolarHBondContact OD1-N 3.33Å; D533-W535 PolarHBondContact O-N 3.03Å
534	E	90.4	Very high	95.3	Very high	62 Å²	62	50.6 Å²	50.6	29%	0.29	24%	0.24	S	C	.	.	S	Bend	trans	-55.1	127.1	170	-173	-178.1	-156.4	0	0	110.1	K525 D531 R550	K525-E534 VanDerWaalsContact NZ-CD 3.29Å; K525-E534 IonicContact NZ-OE1 3.54Å; K525-E534 PolarHBondContact NZ-OE1 3.01Å; K525-E534 IonicContact NZ-OE2 3.74Å; K525-E534 PolarHBondContact NZ-OE2 3.22Å; D531-E534 HydrophobicContact CB-CB 4.3Å; D531-E534 WeakPolarHBondContact O-CB 3.39Å; D531-E534 PolarHBondContact O-N 2.99Å; D531-E534 PolarHBondContact OD1-N 2.88Å; E534-R550 PolarHBondContact O-NH1 3.44Å; E534-R550 IonicContact OE2-CZ 2.96Å; E534-R550 IonicContact OE2-NH2 3.9Å; E534-R550 PolarHBondContact OE2-NH2 3.28Å
535	W	94.6	Very high	95.3	Very high	33 Å²	33	49.1 Å²	49.1	13%	0.125	23%	0.234	C	C	.	.			trans	-73.6	144.2	174.8	-75.7	47.8	0	0	0	109.6	R479 I480 Y482 P483 D533 S537 V554	R479-W535 HydrophobicContact CB-CD2 3.87Å; R479-W535 HydrophobicContact CB-CE3 4.05Å; R479-W535 HydrophobicContact CB-CH2 3.76Å; R479-W535 HydrophobicContact CB-CZ2 3.59Å; R479-W535 HydrophobicContact CB-CZ3 3.99Å; R479-W535 HydrophobicContact CG-CD2 4.2Å; R479-W535 HydrophobicContact CG-CG 4.43Å; R479-W535 HydrophobicContact CG-CZ2 4.31Å; I480-W535 VanDerWaalsContact N-CH2 3.33Å; Y482-W535 VanDerWaalsContact N-CH2 3.26Å; Y482-W535 WeakPolarHBondContact O-CZ2 3.46Å; P483-W535 HydrophobicContact CB-CZ2 4.46Å; P483-W535 HydrophobicContact CG-CD2 3.8Å; P483-W535 HydrophobicContact CG-CE3 4.49Å; P483-W535 HydrophobicContact CG-CG 3.84Å; P483-W535 HydrophobicContact CG-CZ2 4.33Å; D533-W535 PolarHBondContact O-N 3.03Å; 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 3.7Å
536	I	92.8	Very high	95.3	Very high	58 Å²	58	48.2 Å²	48.2	30%	0.297	23%	0.229	S	C	.	.	S	Bend	trans	-85.1	-1.7	177.1	65.4	-175.3	0	0	0	113.3	F545 V554	I536-F545 HydrophobicContact CD1-CB 3.62Å; I536-F545 HydrophobicContact CG1-CB 4.16Å; I536-V554 HydrophobicContact CD1-CG2 3.89Å; I536-V554 HydrophobicContact CG1-CB 4.26Å; I536-V554 HydrophobicContact CG1-CG2 3.61Å
537	S	96.4	Very high	95.3	Very high	12 Å²	12	49.2 Å²	49.2	8%	0.084	24%	0.237	C	C	.	.	S	Bend	trans	-156.2	145.9	179.1	-167.6	0	0	0	0	111.3	W535 F545	W535-S537 VanDerWaalsContact C-N 3.28Å; S537-F545 VanDerWaalsContact CB-CE2 3.48Å; S537-F545 WeakPolarHBondContact OG-CE2 3.36Å
538	G	96.8	Very high	95.2	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.021	22%	0.222	C	C	.	.			trans	-69.3	167	168.9	0	0	0	0	0	114.3	E420 V541 P556	E420-G538 PolarHBondContact OE2-N 2.86Å; G538-V541 WeakPolarHBondContact O-CG2 3.29Å; G538-P556 WeakPolarHBondContact O-CB 3.47Å
539	A	97.9	Very high	95.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	20%	0.202	C	C	.	.	S	Bend	trans	-73.6	-32.3	-174.2	0	0	0	0	0	114.6	V428 G481 V541 P556 A557 G558	V428-A539 HydrophobicContact CG1-CB 3.86Å; G481-A539 WeakPolarHBondContact O-CB 3.24Å; A539-V541 PolarHBondContact O-N 3.27Å; A539-P556 WeakPolarHBondContact O-CB 3Å; A539-A557 HydrophobicContact CB-CB 4.44Å; A539-A557 PolarHBondContact O-N 3.14Å; A539-G558 PolarHBondContact O-N 3.34Å; A539-G558 VanDerWaalsContact O-N 3.08Å
540	A	98.3	Very high	95.1	Very high	1 Å²	1	33 Å²	33	1%	0.008	17%	0.174	C	C	.	.	S	Bend	trans	-85.5	57	-176.9	0	0	0	0	0	111.7	L118 N416 Y427	L118-A540 HydrophobicContact CD2-CB 4.12Å; N416-A540 PolarHBondContact ND2-O 3.45Å; Y427-A540 HydrophobicContact CD1-CB 3.89Å; Y427-A540 HydrophobicContact CD2-CB 4.23Å; Y427-A540 HydrophobicContact CG-CB 3.65Å
541	V	98.4	Very high	95.1	Very high	36 Å²	36	32.4 Å²	32.4	22%	0.218	17%	0.171	C	C	.	.			trans	-135.1	127.9	-175.6	177.4	0	0	0	0	109.8	G538 A539 N543 F545 P556 G558 I559	G538-V541 WeakPolarHBondContact O-CG2 3.29Å; A539-V541 PolarHBondContact O-N 3.27Å; V541-N543 HydrophobicContact CG1-CB 3.81Å; V541-N543 PolarHBondContact O-N 3.21Å; V541-F545 HydrophobicContact CG1-CE2 4.04Å; V541-F545 HydrophobicContact CG1-CZ 4.12Å; V541-P556 HydrophobicContact CB-CB 4.09Å; V541-P556 HydrophobicContact CB-CG 4.12Å; V541-P556 WeakPolarHBondContact O-CB 3.45Å; V541-G558 CarbonylContact O-C 3.59Å; V541-G558 VanDerWaalsContact O-CA 3.29Å; V541-G558 WeakPolarHBondContact O-CA 3.09Å; V541-I559 PolarHBondContact O-N 3.06Å
542	V	98.2	Very high	95.5	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.03	15%	0.149	C	C	.	.	S	Bend	trans	-91	79.3	170.2	-168.2	0	0	0	0	108.8	F107 L110 R111 L114	F107-V542 HydrophobicContact CD1-CG1 4.31Å; L110-V542 HydrophobicContact CB-CG1 3.95Å; L110-V542 HydrophobicContact CB-CG2 4.25Å; L110-V542 HydrophobicContact CD1-CG1 4.27Å; R111-V542 HydrophobicContact CG-CB 3.84Å; R111-V542 HydrophobicContact CG-CG2 3.98Å; R111-V542 PolarHBondContact NE-O 3.34Å; R111-V542 PolarHBondContact NH2-O 3.26Å; R111-V542 VanDerWaalsContact NH2-O 3.17Å; L114-V542 HydrophobicContact CB-CG2 4.27Å; L114-V542 HydrophobicContact CD1-CG2 3.8Å
543	N	97.1	Very high	96.2	Very high	52 Å²	52	26.3 Å²	26.3	28%	0.278	14%	0.14	S	C	.	.			trans	-165.6	177.5	173.8	-150.1	10.9	0	0	0	110.6	V541 F545 P556 I559	V541-N543 HydrophobicContact CG1-CB 3.81Å; V541-N543 PolarHBondContact O-N 3.21Å; N543-F545 HydrophobicContact CB-CE1 4.34Å; N543-F545 HydrophobicContact CB-CE2 3.87Å; N543-F545 HydrophobicContact CB-CZ 3.65Å; N543-F545 VanDerWaalsContact ND2-CE1 3.29Å; N543-F545 WeakPolarHBondContact ND2-CE1 3.43Å; N543-F545 WeakPolarHBondContact ND2-CZ 3.31Å; N543-P556 VanDerWaalsContact O-CD 3.29Å; N543-P556 WeakPolarHBondContact O-CD 3.36Å; N543-I559 WeakPolarHBondContact O-CB 3.47Å; N543-I559 WeakPolarHBondContact O-CG2 3.4Å
544	A	97.6	Very high	96.9	Very high	5 Å²	5	21.5 Å²	21.5	4%	0.041	11%	0.114	C	C	.	.			trans	-134.9	164.2	164.1	0	0	0	0	0	109.6	V554 F555 I559 V581 E585	A544-V554 WeakPolarHBondContact CA-O 3.5Å; A544-F555 HydrophobicContact CB-CD1 3.74Å; A544-F555 HydrophobicContact CB-CE1 3.98Å; A544-I559 HydrophobicContact CB-CD1 4.33Å; A544-V581 HydrophobicContact CB-CG1 3.53Å; A544-E585 HydrophobicContact CB-CG 3.79Å; A544-E585 WeakPolarHBondContact CB-OE1 3.37Å
545	F	98.1	Very high	97.3	Very high	61 Å²	61	18.5 Å²	18.5	27%	0.268	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	148.6	-172.8	-52.7	-85.6	0	0	0	113.4	I536 S537 V541 N543 I553 V554 P556 E585	I536-F545 HydrophobicContact CD1-CB 3.62Å; I536-F545 HydrophobicContact CG1-CB 4.16Å; S537-F545 VanDerWaalsContact CB-CE2 3.48Å; S537-F545 WeakPolarHBondContact OG-CE2 3.36Å; V541-F545 HydrophobicContact CG1-CE2 4.04Å; V541-F545 HydrophobicContact CG1-CZ 4.12Å; N543-F545 HydrophobicContact CB-CE1 4.34Å; N543-F545 HydrophobicContact CB-CE2 3.87Å; N543-F545 HydrophobicContact CB-CZ 3.65Å; N543-F545 VanDerWaalsContact ND2-CE1 3.29Å; N543-F545 WeakPolarHBondContact ND2-CE1 3.43Å; N543-F545 WeakPolarHBondContact ND2-CZ 3.31Å; F545-I553 CarbonylContact O-C 3.49Å; F545-I553 WeakPolarHBondContact O-CA 3.48Å; F545-V554 PolarHBondContact N-O 2.96Å; F545-V554 VanDerWaalsContact N-O 3.1Å; F545-V554 PolarHBondContact O-N 3.05Å; F545-P556 HydrophobicContact CE2-CG 4.33Å; F545-E585 VanDerWaalsContact CA-OE2 3.23Å; F545-E585 WeakPolarHBondContact CA-OE2 3.34Å; F545-E585 PolarHBondContact N-OE2 2.98Å
546	Y	98.6	Very high	97.5	Very high	33 Å²	33	17 Å²	17	13%	0.129	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.2	164.2	173.6	-99.9	0	0	0	111.1	S548 N551 Q552 I553 E585 H588 G589	Y546-S548 WeakPolarHBondContact CE1-OG 3.41Å; Y546-N551 PolarHBondContact OH-OD1 2.74Å; Y546-Q552 CarbonylContact C-O 3.47Å; Y546-Q552 WeakPolarHBondContact CA-O 3.42Å; Y546-Q552 WeakPolarHBondContact CD2-O 3.45Å; Y546-I553 HydrophobicContact CD2-CG2 3.78Å; Y546-E585 PolarHBondContact N-OE2 3.5Å; Y546-H588 HydrophobicContact CD1-CB 3.59Å; Y546-H588 HydrophobicContact CE1-CB 4.43Å; Y546-H588 HydrophobicContact CG-CB 3.73Å; Y546-G589 WeakPolarHBondContact OH-CA 3.21Å
547	S	98.1	Very high	97.7	Very high	27 Å²	27	14.3 Å²	14.3	19%	0.189	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	112.8	173.1	177.9	0	0	0	0	111.4	G549 R550 N551 Q552	S547-G549 PolarHBondContact O-N 3.17Å; S547-R550 PolarHBondContact O-N 3.06Å; S547-N551 WeakPolarHBondContact O-CA 3.46Å; S547-N551 PolarHBondContact O-N 3.44Å; S547-Q552 PolarHBondContact N-O 3.23Å; S547-Q552 PolarHBondContact O-N 3.48Å
548	S	96.9	Very high	97.8	Very high	20 Å²	20	13.7 Å²	13.7	14%	0.14	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-56.7	-47.8	178.8	-56.8	0	0	0	0	113	Y546 R550 N551 G601	Y546-S548 WeakPolarHBondContact CE1-OG 3.41Å; S548-R550 PolarHBondContact O-N 2.99Å; S548-N551 PolarHBondContact O-N 3.04Å; S548-G601 VanDerWaalsContact O-CA 3.24Å; S548-G601 WeakPolarHBondContact O-CA 3.46Å
549	G	94.4	Very high	97.8	Very high	16 Å²	16	13.7 Å²	13.7	17%	0.165	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-68.8	-16.5	-178.8	0	0	0	0	0	114.9	S212 S547 G601	S212-G549 VanDerWaalsContact CB-O 3.31Å; S212-G549 WeakPolarHBondContact CB-O 3.39Å; S547-G549 PolarHBondContact O-N 3.17Å; G549-G601 WeakPolarHBondContact CA-O 3.37Å
550	R	96.9	Very high	97.8	Very high	25 Å²	25	14 Å²	14	9%	0.094	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-108.2	-10.9	177.5	-66.6	168.8	176.7	-92.1	-6.1	112.9	D531 E534 S547 S548 Q552	D531-R550 PolarHBondContact O-NH1 3.39Å; D531-R550 PolarHBondContact O-NH2 3.49Å; E534-R550 PolarHBondContact O-NH1 3.44Å; E534-R550 IonicContact OE2-CZ 2.96Å; E534-R550 IonicContact OE2-NH2 3.9Å; E534-R550 PolarHBondContact OE2-NH2 3.28Å; S547-R550 PolarHBondContact O-N 3.06Å; S548-R550 PolarHBondContact O-N 2.99Å; R550-Q552 HydrophobicContact CB-CB 3.82Å; R550-Q552 PolarHBondContact O-N 3.2Å
551	N	98.1	Very high	97.8	Very high	2 Å²	2	16 Å²	16	1%	0.011	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.5	52.6	-165.9	-166.3	28.5	0	0	0	111.1	K472 I476 K477 Y546 S547 S548 K599	K472-N551 PolarHBondContact O-ND2 3.23Å; I476-N551 WeakPolarHBondContact CA-O 3.41Å; I476-N551 WeakPolarHBondContact CG1-OD1 3.49Å; I476-N551 PolarHBondContact N-ND2 3.36Å; K477-N551 PolarHBondContact N-O 3.37Å; Y546-N551 PolarHBondContact OH-OD1 2.74Å; S547-N551 WeakPolarHBondContact O-CA 3.46Å; S547-N551 PolarHBondContact O-N 3.44Å; S548-N551 PolarHBondContact O-N 3.04Å; N551-K599 PolarHBondContact ND2-O 3.29Å
552	Q	98.3	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.6	-169.3	-178	-177.7	83.3	0	0	111.2	K477 R479 Y546 S547 R550 V554	K477-Q552 HydrophobicContact CB-CB 4.36Å; K477-Q552 HydrophobicContact CB-CG 4.31Å; K477-Q552 CarbonylContact O-C 3.6Å; K477-Q552 VanDerWaalsContact O-CA 3.24Å; K477-Q552 WeakPolarHBondContact O-CA 3.43Å; K477-Q552 WeakPolarHBondContact O-CG 3.39Å; R479-Q552 HydrophobicContact CG-CG 3.88Å; R479-Q552 VanDerWaalsContact NE-NE2 3.14Å; Y546-Q552 CarbonylContact C-O 3.47Å; Y546-Q552 WeakPolarHBondContact CA-O 3.42Å; Y546-Q552 WeakPolarHBondContact CD2-O 3.45Å; S547-Q552 PolarHBondContact N-O 3.23Å; S547-Q552 PolarHBondContact O-N 3.48Å; R550-Q552 HydrophobicContact CB-CB 3.82Å; R550-Q552 PolarHBondContact O-N 3.2Å; Q552-V554 HydrophobicContact CG-CG2 3.98Å
553	I	98.5	Very high	97.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137	170.1	60.6	-177.3	0	0	0	110.1	I444 I476 K477 E478 R479 F545 Y546 F555 E585 I586	I444-I553 HydrophobicContact CG2-CD1 4.05Å; I476-I553 HydrophobicContact CG2-CB 4.35Å; I476-I553 HydrophobicContact CG2-CD1 3.83Å; I476-I553 HydrophobicContact CG2-CG1 3.78Å; I476-I553 HydrophobicContact CG2-CG2 3.86Å; K477-I553 PolarHBondContact O-N 3.33Å; E478-I553 CarbonylContact C-O 3.57Å; E478-I553 HydrophobicContact CB-CD1 4.22Å; E478-I553 HydrophobicContact CB-CG1 3.98Å; R479-I553 PolarHBondContact N-O 3.39Å; F545-I553 CarbonylContact O-C 3.49Å; F545-I553 WeakPolarHBondContact O-CA 3.48Å; Y546-I553 HydrophobicContact CD2-CG2 3.78Å; I553-F555 HydrophobicContact CB-CE2 4.07Å; I553-F555 HydrophobicContact CB-CZ 4.25Å; I553-F555 HydrophobicContact CD1-CE2 3.75Å; I553-F555 HydrophobicContact CD1-CZ 4.13Å; I553-F555 HydrophobicContact CG1-CE2 3.84Å; I553-F555 HydrophobicContact CG1-CZ 4.4Å; I553-E585 HydrophobicContact CB-CB 4.13Å; I553-E585 HydrophobicContact CG2-CB 3.74Å; I553-I586 HydrophobicContact CD1-CG1 3.98Å
554	V	98.6	Very high	97.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.1	-176.9	-173.5	0	0	0	0	111.1	R479 W535 I536 A544 F545 Q552 P556	R479-V554 HydrophobicContact CB-CB 4.23Å; R479-V554 HydrophobicContact CB-CG1 4.02Å; R479-V554 HydrophobicContact CB-CG2 3.84Å; R479-V554 HydrophobicContact CG-CG2 4.05Å; R479-V554 WeakPolarHBondContact O-CA 3.42Å; 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 3.7Å; I536-V554 HydrophobicContact CD1-CG2 3.89Å; I536-V554 HydrophobicContact CG1-CB 4.26Å; I536-V554 HydrophobicContact CG1-CG2 3.61Å; A544-V554 WeakPolarHBondContact CA-O 3.5Å; F545-V554 PolarHBondContact N-O 2.96Å; F545-V554 VanDerWaalsContact N-O 3.1Å; F545-V554 PolarHBondContact O-N 3.05Å; Q552-V554 HydrophobicContact CG-CG2 3.98Å; V554-P556 HydrophobicContact CG1-CG 4.32Å; V554-P556 WeakPolarHBondContact O-CD 3.49Å
555	F	98.4	Very high	97.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	87.8	174.5	-52.2	-81	0	0	0	109.3	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 3.39Å; G481-F555 PolarHBondContact N-O 2.94Å; A544-F555 HydrophobicContact CB-CD1 3.74Å; A544-F555 HydrophobicContact CB-CE1 3.98Å; I553-F555 HydrophobicContact CB-CE2 4.07Å; I553-F555 HydrophobicContact CB-CZ 4.25Å; I553-F555 HydrophobicContact CD1-CE2 3.75Å; I553-F555 HydrophobicContact CD1-CZ 4.13Å; I553-F555 HydrophobicContact CG1-CE2 3.84Å; I553-F555 HydrophobicContact CG1-CZ 4.4Å; F555-I559 HydrophobicContact CB-CG2 4.41Å; F555-L560 HydrophobicContact CB-CD2 4.22Å; F555-I578 HydrophobicContact CD1-CD1 4.39Å; F555-V581 HydrophobicContact CD1-CG1 4.3Å; F555-V581 HydrophobicContact CE1-CG1 4.1Å; F555-I582 HydrophobicContact CD1-CG1 4.29Å; F555-I582 HydrophobicContact CE1-CB 4.27Å; F555-I582 HydrophobicContact CE1-CG1 3.71Å; F555-I582 HydrophobicContact CE2-CG1 4.1Å; F555-I582 HydrophobicContact CZ-CB 4.02Å; F555-I582 HydrophobicContact CZ-CG1 3.62Å; F555-I582 HydrophobicContact CZ-CG2 4.3Å; F555-E585 HydrophobicContact CE1-CB 4.23Å; F555-E585 HydrophobicContact CE1-CG 3.69Å; F555-E585 HydrophobicContact CZ-CB 4Å; F555-E585 HydrophobicContact CZ-CG 3.98Å
556	P	98.3	Very high	97.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	151.3	175.9	-25.5	34.9	0	0	0	112.8	G538 A539 V541 N543 F545 V554 G558 I559	G538-P556 WeakPolarHBondContact O-CB 3.47Å; A539-P556 WeakPolarHBondContact O-CB 3Å; V541-P556 HydrophobicContact CB-CB 4.09Å; V541-P556 HydrophobicContact CB-CG 4.12Å; V541-P556 WeakPolarHBondContact O-CB 3.45Å; N543-P556 VanDerWaalsContact O-CD 3.29Å; N543-P556 WeakPolarHBondContact O-CD 3.36Å; F545-P556 HydrophobicContact CE2-CG 4.33Å; V554-P556 HydrophobicContact CG1-CG 4.32Å; V554-P556 WeakPolarHBondContact O-CD 3.49Å; P556-G558 PolarHBondContact O-N 3.5Å; P556-I559 WeakPolarHBondContact O-CG2 3.41Å; P556-I559 PolarHBondContact O-N 3.29Å; P556-I559 VanDerWaalsContact O-N 3.09Å
557	A	98	Very high	97.5	Very high	2 Å²	2	14.8 Å²	14.8	2%	0.017	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-52.3	-33.3	178.2	0	0	0	0	0	112.9	Y427 V428 F432 G481 A539 I559 L560	Y427-A557 HydrophobicContact CD1-CB 4.35Å; Y427-A557 HydrophobicContact CE1-CB 3.94Å; V428-A557 HydrophobicContact CG1-CB 3.74Å; F432-A557 HydrophobicContact CB-CB 4.1Å; F432-A557 HydrophobicContact CD1-CB 4.38Å; F432-A557 HydrophobicContact CD2-CB 3.6Å; F432-A557 HydrophobicContact CE2-CB 4.11Å; F432-A557 HydrophobicContact CG-CB 3.76Å; G481-A557 PolarHBondContact O-N 2.83Å; A539-A557 HydrophobicContact CB-CB 4.44Å; A539-A557 PolarHBondContact O-N 3.14Å; A557-I559 VanDerWaalsContact C-N 3.3Å; A557-I559 PolarHBondContact O-N 2.98Å; A557-L560 PolarHBondContact O-N 2.92Å; A557-L560 VanDerWaalsContact O-N 3.11Å
558	G	97.8	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-63.2	-21.9	179.5	0	0	0	0	0	116.2	Y427 A539 V541 P556 Q561	Y427-G558 WeakPolarHBondContact OH-CA 3.21Å; A539-G558 PolarHBondContact O-N 3.34Å; A539-G558 VanDerWaalsContact O-N 3.08Å; V541-G558 CarbonylContact O-C 3.59Å; V541-G558 VanDerWaalsContact O-CA 3.29Å; V541-G558 WeakPolarHBondContact O-CA 3.09Å; P556-G558 PolarHBondContact O-N 3.5Å; G558-Q561 PolarHBondContact O-NE2 2.69Å
559	I	98.1	Very high	97.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-92.4	-15.4	173.1	-159.5	164.5	0	0	0	112.8	F107 V541 N543 A544 F555 P556 A557 Q561 F564 I578 V581	F107-I559 HydrophobicContact CE1-CD1 4.4Å; V541-I559 PolarHBondContact O-N 3.06Å; N543-I559 WeakPolarHBondContact O-CB 3.47Å; N543-I559 WeakPolarHBondContact O-CG2 3.4Å; A544-I559 HydrophobicContact CB-CD1 4.33Å; F555-I559 HydrophobicContact CB-CG2 4.41Å; P556-I559 WeakPolarHBondContact O-CG2 3.41Å; P556-I559 PolarHBondContact O-N 3.29Å; P556-I559 VanDerWaalsContact O-N 3.09Å; A557-I559 VanDerWaalsContact C-N 3.3Å; A557-I559 PolarHBondContact O-N 2.98Å; I559-Q561 PolarHBondContact O-N 2.68Å; I559-F564 HydrophobicContact CD1-CD1 4.42Å; I559-F564 HydrophobicContact CD1-CE1 4.23Å; I559-F564 HydrophobicContact CD1-CZ 4.31Å; I559-F564 HydrophobicContact CG1-CD1 4.21Å; I559-F564 HydrophobicContact CG1-CD2 3.81Å; I559-F564 HydrophobicContact CG1-CE1 4.32Å; I559-F564 HydrophobicContact CG1-CE2 3.94Å; I559-F564 HydrophobicContact CG1-CG 3.96Å; I559-F564 HydrophobicContact CG1-CZ 4.22Å; I559-F564 WeakPolarHBondContact O-CB 3.44Å; I559-I578 HydrophobicContact CG2-CD1 4.2Å; I559-V581 HydrophobicContact CD1-CG1 4.11Å
560	L	97.8	Very high	97.6	Very high	9 Å²	9	21.2 Å²	21.2	5%	0.047	11%	0.112	C	C	.	.	S	Bend	trans	-83.1	52.3	-175.5	-58.8	-177.2	0	0	0	112.4	F432 V440 I480 F555 A557 F565 I578	F432-L560 HydrophobicContact CE2-CB 3.88Å; F432-L560 HydrophobicContact CE2-CD1 3.78Å; F432-L560 HydrophobicContact CE2-CG 4.44Å; F432-L560 HydrophobicContact CZ-CD1 3.94Å; V440-L560 HydrophobicContact CG1-CD2 4.08Å; V440-L560 HydrophobicContact CG2-CD1 4.27Å; V440-L560 HydrophobicContact CG2-CD2 3.88Å; I480-L560 HydrophobicContact CG2-CD1 3.93Å; F555-L560 HydrophobicContact CB-CD2 4.22Å; A557-L560 PolarHBondContact O-N 2.92Å; A557-L560 VanDerWaalsContact O-N 3.11Å; L560-F565 HydrophobicContact CB-CD1 4.44Å; L560-I578 HydrophobicContact CD2-CD1 3.68Å; L560-I578 HydrophobicContact CD2-CG1 3.93Å
561	Q	97.2	Very high	97.7	Very high	42 Å²	42	22 Å²	22	20%	0.196	12%	0.118	C	C	.	.	S	Bend	trans	-145	164.9	-178.9	58.9	177.7	-36.9	0	0	111	L110 G558 I559 F564 F565	L110-Q561 HydrophobicContact CD2-CG 4.42Å; G558-Q561 PolarHBondContact O-NE2 2.69Å; I559-Q561 PolarHBondContact O-N 2.68Å; Q561-F564 WeakPolarHBondContact O-CB 3.13Å; Q561-F564 PolarHBondContact O-N 2.72Å; Q561-F565 CarbonylContact C-O 3.46Å; Q561-F565 VanDerWaalsContact CA-O 3.24Å; Q561-F565 WeakPolarHBondContact CA-O 3.46Å; Q561-F565 PolarHBondContact O-N 2.91Å
562	P	97.6	Very high	97.7	Very high	66 Å²	66	21.9 Å²	21.9	43%	0.429	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	143.6	176.4	-26.6	36.5	0	0	0	111.7	F565	P562-F565 VanDerWaalsContact CD-O 3.23Å; P562-F565 WeakPolarHBondContact CD-O 3.45Å
563	P	97.9	Very high	97.7	Very high	8 Å²	8	21.9 Å²	21.9	5%	0.052	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.7	-4.5	6.5	36.3	-36	0	0	0	114.4	N689 V693	P563-N689 PolarHBondContact O-ND2 3.19Å; P563-V693 HydrophobicContact CG-CG2 4.23Å
564	F	98.3	Very high	97.7	Very high	2 Å²	2	22 Å²	22	1%	0.009	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-52.8	-176.6	-57.4	-82.3	0	0	0	111.7	F107 L110 I559 Q561 I578 V581 V693	F107-F564 HydrophobicContact CD1-CZ 4.08Å; F107-F564 HydrophobicContact CD2-CZ 4.28Å; F107-F564 HydrophobicContact CE1-CE1 4.16Å; F107-F564 HydrophobicContact CE1-CE2 4.45Å; F107-F564 AromaticContact CE1-CZ 3.55Å; F107-F564 HydrophobicContact CE1-CZ 3.55Å; F107-F564 HydrophobicContact CE2-CE1 4.18Å; F107-F564 AromaticContact CE2-CZ 3.78Å; F107-F564 HydrophobicContact CE2-CZ 3.78Å; F107-F564 HydrophobicContact CG-CZ 4.43Å; F107-F564 AromaticContact CZ-CE1 3.68Å; F107-F564 HydrophobicContact CZ-CE1 3.68Å; F107-F564 AromaticContact CZ-CZ 3.39Å; F107-F564 HydrophobicContact CZ-CZ 3.39Å; L110-F564 HydrophobicContact CD1-CD2 4.07Å; L110-F564 HydrophobicContact CD1-CE2 3.56Å; I559-F564 HydrophobicContact CD1-CD1 4.42Å; I559-F564 HydrophobicContact CD1-CE1 4.23Å; I559-F564 HydrophobicContact CD1-CZ 4.31Å; I559-F564 HydrophobicContact CG1-CD1 4.21Å; I559-F564 HydrophobicContact CG1-CD2 3.81Å; I559-F564 HydrophobicContact CG1-CE1 4.32Å; I559-F564 HydrophobicContact CG1-CE2 3.94Å; I559-F564 HydrophobicContact CG1-CG 3.96Å; I559-F564 HydrophobicContact CG1-CZ 4.22Å; I559-F564 WeakPolarHBondContact O-CB 3.44Å; Q561-F564 WeakPolarHBondContact O-CB 3.13Å; Q561-F564 PolarHBondContact O-N 2.72Å; F564-I578 HydrophobicContact CB-CB 4.19Å; F564-I578 HydrophobicContact CB-CD1 4.45Å; F564-I578 WeakPolarHBondContact O-CB 3.32Å; F564-I578 PolarHBondContact O-N 2.88Å; F564-V581 HydrophobicContact CD1-CG2 3.92Å; F564-V581 HydrophobicContact CE1-CG2 4.07Å; F564-V693 HydrophobicContact CD1-CG1 4.24Å; F564-V693 HydrophobicContact CD1-CG2 4Å; F564-V693 HydrophobicContact CE1-CB 4.26Å; F564-V693 HydrophobicContact CE1-CG1 3.35Å; F564-V693 HydrophobicContact CE1-CG2 3.89Å; F564-V693 HydrophobicContact CZ-CG1 3.84Å
565	F	98.3	Very high	97.7	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	12%	0.119	C	C	.	.			trans	-143.5	138.1	-171.7	178.7	-104.7	0	0	0	113.3	V439 V440 L443 L560 Q561 P562 A567 N574 I578	V439-F565 HydrophobicContact CB-CE2 4.21Å; V439-F565 HydrophobicContact CB-CZ 3.79Å; V439-F565 HydrophobicContact CG1-CE2 3.64Å; V439-F565 HydrophobicContact CG1-CZ 3.7Å; V440-F565 HydrophobicContact CG2-CD1 4.19Å; V440-F565 HydrophobicContact CG2-CD2 4.17Å; V440-F565 HydrophobicContact CG2-CE1 4.1Å; V440-F565 HydrophobicContact CG2-CE2 4.07Å; V440-F565 HydrophobicContact CG2-CG 4.22Å; V440-F565 HydrophobicContact CG2-CZ 4.04Å; L443-F565 HydrophobicContact CD1-CD2 4.32Å; L443-F565 HydrophobicContact CD1-CE2 4.25Å; L560-F565 HydrophobicContact CB-CD1 4.44Å; Q561-F565 CarbonylContact C-O 3.46Å; Q561-F565 VanDerWaalsContact CA-O 3.24Å; Q561-F565 WeakPolarHBondContact CA-O 3.46Å; Q561-F565 PolarHBondContact O-N 2.91Å; P562-F565 VanDerWaalsContact CD-O 3.23Å; P562-F565 WeakPolarHBondContact CD-O 3.45Å; F565-A567 HydrophobicContact CZ-CB 4.14Å; F565-N574 WeakPolarHBondContact CA-OD1 3.14Å; F565-I578 HydrophobicContact CB-CB 3.98Å; F565-I578 HydrophobicContact CB-CG1 4.42Å; F565-I578 HydrophobicContact CB-CG2 3.85Å; F565-I578 HydrophobicContact CD2-CG2 3.82Å; F565-I578 HydrophobicContact CG-CG2 4.24Å
566	S	96.4	Very high	97.8	Very high	27 Å²	27	22.1 Å²	22.1	19%	0.189	12%	0.119	C	C	.	.			trans	-154	135.3	156.3	165.9	0	0	0	0	108.7	R568 Q569 N574	S566-R568 PolarHBondContact O-N 3.11Å; S566-R568 PolarHBondContact OG-N 3.48Å; S566-R568 VanDerWaalsContact OG-N 3.14Å; S566-Q569 WeakPolarHBondContact O-CG 3.47Å; S566-Q569 PolarHBondContact O-N 3.48Å; S566-N574 PolarHBondContact N-OD1 3.19Å; S566-N574 PolarHBondContact O-ND2 3.03Å; S566-N574 PolarHBondContact O-OD1 3.01Å
567	A	94.5	Very high	97.8	Very high	63 Å²	63	22.1 Å²	22.1	52%	0.521	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.8	174.2	0	0	0	0	0	113.2	V439 F565	V439-A567 HydrophobicContact CG2-CB 4.41Å; F565-A567 HydrophobicContact CZ-CB 4.14Å
568	R	94.9	Very high	97.8	Very high	180 Å²	180	22 Å²	22	68%	0.679	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-5.7	-177.9	-56.9	-174.9	-177.8	-168.9	0.6	114.5	D61 S566	D61-R568 HydrophobicContact CB-CB 3.83Å; D61-R568 WeakPolarHBondContact CB-O 3.19Å; D61-R568 WeakPolarHBondContact OD2-CB 3.27Å; D61-R568 WeakPolarHBondContact OD2-CD 3.4Å; S566-R568 PolarHBondContact O-N 3.11Å; S566-R568 PolarHBondContact OG-N 3.48Å; S566-R568 VanDerWaalsContact OG-N 3.14Å
569	Q	97.1	Very high	97.9	Very high	9 Å²	9	22 Å²	22	4%	0.042	12%	0.118	C	C	.	.	S	Bend	trans	-87.3	159.7	172.8	76	-180	5.1	0	0	110.6	S566 L573 N574	S566-Q569 WeakPolarHBondContact O-CG 3.47Å; S566-Q569 PolarHBondContact O-N 3.48Å; Q569-L573 HydrophobicContact CB-CD1 4.4Å; Q569-L573 HydrophobicContact CG-CB 4.26Å; Q569-N574 WeakPolarHBondContact CG-OD1 3.16Å; Q569-N574 PolarHBondContact NE2-OD1 3.04Å
570	S	98.3	Very high	97.9	Very high	8 Å²	8	22.1 Å²	22.1	6%	0.056	12%	0.119	C	C	.	.			trans	-55.8	142.6	177.2	-52.5	0	0	0	0	111.6	S572 L573 N574	S570-S572 VanDerWaalsContact C-N 3.28Å; S570-S572 PolarHBondContact O-N 2.86Å; S570-L573 WeakPolarHBondContact O-CB 3.4Å; S570-L573 PolarHBondContact O-N 2.97Å; S570-N574 PolarHBondContact O-N 2.6Å
571	N	98.6	Very high	97.9	Very high	41 Å²	41	22.3 Å²	22.3	22%	0.219	12%	0.12	C	C	.	.	H	α-helix	trans	-64.1	-34.8	-177.4	-66.8	-77.6	0	0	0	111.6	L573 N574 Y575 Y662 Y665 E672	N571-L573 PolarHBondContact O-N 2.89Å; N571-N574 PolarHBondContact O-N 3.08Å; N571-Y575 HydrophobicContact CB-CD2 4.06Å; N571-Y575 HydrophobicContact CB-CE2 4.01Å; N571-Y575 VanDerWaalsContact O-CD2 3.25Å; N571-Y575 WeakPolarHBondContact O-CD2 3.2Å; N571-Y575 PolarHBondContact O-N 3.12Å; N571-Y662 HydrophobicContact CB-CE2 4.47Å; N571-Y665 HydrophobicContact CB-CD1 4.24Å; N571-Y665 HydrophobicContact CB-CE1 3.9Å; N571-Y665 VanDerWaalsContact ND2-CZ 3.32Å; N571-Y665 PolarHBondContact ND2-OH 3.49Å; N571-E672 WeakPolarHBondContact CB-OE1 3.34Å; N571-E672 WeakPolarHBondContact CB-OE2 3.36Å; N571-E672 PolarHBondContact N-OE1 2.96Å; N571-E672 PolarHBondContact N-OE2 3.28Å; N571-E672 VanDerWaalsContact N-OE2 3.16Å; N571-E672 PolarHBondContact ND2-OE1 3.39Å
572	S	98.8	Very high	98	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-49.7	-37	171.6	69.9	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 3.07Å; S572-G576 VanDerWaalsContact O-N 3.1Å; S572-E672 PolarHBondContact N-OE2 2.84Å; S572-H682 WeakPolarHBondContact CB-O 3.37Å; S572-H682 PolarHBondContact OG-ND1 2.8Å; S572-F686 WeakPolarHBondContact O-CA 3.26Å
573	L	98.8	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-76.1	-43.5	176.2	-49.6	-178.5	0	0	0	111.4	L69 Q569 S570 N571 G576 G577 L675 L685 N689	L69-L573 HydrophobicContact CD1-CD1 4.38Å; L69-L573 HydrophobicContact CD1-CD2 4.07Å; L69-L573 HydrophobicContact CD2-CD2 4.49Å; Q569-L573 HydrophobicContact CB-CD1 4.4Å; Q569-L573 HydrophobicContact CG-CB 4.26Å; S570-L573 WeakPolarHBondContact O-CB 3.4Å; S570-L573 PolarHBondContact O-N 2.97Å; N571-L573 PolarHBondContact O-N 2.89Å; L573-G576 CarbonylContact O-C 3.58Å; L573-G576 PolarHBondContact O-N 2.71Å; L573-G577 WeakPolarHBondContact O-CA 3.48Å; L573-G577 PolarHBondContact O-N 3.02Å; L573-L675 HydrophobicContact CD1-CD1 4.29Å; L573-L685 HydrophobicContact CD2-CB 4.19Å; L573-N689 HydrophobicContact CB-CB 4.33Å; L573-N689 HydrophobicContact CD2-CB 3.73Å; L573-N689 PolarHBondContact O-ND2 3.33Å
574	N	98.8	Very high	98.1	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-58.8	-48.9	176.2	-73.1	-30	0	0	0	111.9	F565 S566 Q569 S570 N571 G577 I578 G579	F565-N574 WeakPolarHBondContact CA-OD1 3.14Å; S566-N574 PolarHBondContact N-OD1 3.19Å; S566-N574 PolarHBondContact O-ND2 3.03Å; S566-N574 PolarHBondContact O-OD1 3.01Å; Q569-N574 WeakPolarHBondContact CG-OD1 3.16Å; Q569-N574 PolarHBondContact NE2-OD1 3.04Å; S570-N574 PolarHBondContact O-N 2.6Å; N571-N574 PolarHBondContact O-N 3.08Å; N574-G577 CarbonylContact O-C 3.57Å; N574-G577 PolarHBondContact O-N 2.79Å; N574-I578 WeakPolarHBondContact O-CG2 3.41Å; N574-I578 PolarHBondContact O-N 2.87Å; N574-G579 PolarHBondContact O-N 3.47Å
575	Y	98.9	Very high	98.1	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.008	9%	0.092	C	C	.	.	I	π-helix	trans	-66.5	-40.6	177.5	-73.1	-84.9	0	0	0	111.8	L443 Q446 N571 G577 G579 M580 A658 A661 Y662 Y665 F686	L443-Y575 HydrophobicContact CD2-CD1 4.18Å; L443-Y575 HydrophobicContact CD2-CE1 3.59Å; L443-Y575 HydrophobicContact CD2-CE2 4.06Å; Q446-Y575 PolarHBondContact OE1-OH 3.35Å; N571-Y575 HydrophobicContact CB-CD2 4.06Å; N571-Y575 HydrophobicContact CB-CE2 4.01Å; N571-Y575 VanDerWaalsContact O-CD2 3.25Å; N571-Y575 WeakPolarHBondContact O-CD2 3.2Å; N571-Y575 PolarHBondContact O-N 3.12Å; Y575-G577 PolarHBondContact O-N 3.25Å; Y575-G579 CarbonylContact O-C 3.54Å; Y575-G579 VanDerWaalsContact O-CA 3.28Å; Y575-G579 WeakPolarHBondContact O-CA 3.37Å; Y575-G579 PolarHBondContact O-N 3.3Å; Y575-M580 PolarHBondContact O-N 3.28Å; Y575-A658 WeakPolarHBondContact O-CB 3.45Å; Y575-A661 HydrophobicContact CD1-CB 3.89Å; Y575-A661 HydrophobicContact CE1-CB 3.64Å; Y575-Y662 AromaticContact CD2-CD2 3.62Å; Y575-Y662 HydrophobicContact CD2-CD2 3.62Å; Y575-Y662 HydrophobicContact CD2-CG 4.26Å; Y575-Y662 HydrophobicContact CE2-CD2 4.18Å; Y575-Y662 HydrophobicContact CG-CD2 4.22Å; Y575-Y662 HydrophobicContact CG-CG 4.44Å; Y575-Y665 HydrophobicContact CE2-CD2 4.32Å; Y575-Y665 HydrophobicContact CE2-CG 4.05Å; Y575-F686 VanDerWaalsContact C-CE2 3.44Å
576	G	98.7	Very high	98.2	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.01	9%	0.092	C	C	.	.	I	π-helix	trans	-71.6	-17.4	176.6	0	0	0	0	0	114.2	S572 L573 F686 F690	S572-G576 PolarHBondContact O-N 3.07Å; S572-G576 VanDerWaalsContact O-N 3.1Å; L573-G576 CarbonylContact O-C 3.58Å; L573-G576 PolarHBondContact O-N 2.71Å; 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 3.4Å; G576-F690 WeakPolarHBondContact O-CB 3.48Å; G576-F690 PolarHBondContact O-N 3.05Å
577	G	98.7	Very high	98.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	I	π-helix	trans	-101.1	-97	176.8	0	0	0	0	0	111.1	L573 N574 Y575 G579 M580 V581	L573-G577 WeakPolarHBondContact O-CA 3.48Å; L573-G577 PolarHBondContact O-N 3.02Å; N574-G577 CarbonylContact O-C 3.57Å; N574-G577 PolarHBondContact O-N 2.79Å; Y575-G577 PolarHBondContact O-N 3.25Å; G577-G579 VanDerWaalsContact C-N 3.26Å; G577-G579 PolarHBondContact O-N 2.92Å; G577-M580 PolarHBondContact O-N 2.84Å; G577-V581 PolarHBondContact O-N 3.2Å
578	I	98.8	Very high	98.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-62.8	-30.4	-177.6	-163.9	62.3	0	0	0	112.9	L443 F555 I559 L560 F564 F565 N574 V581 I582	L443-I578 HydrophobicContact CD1-CG2 3.85Å; F555-I578 HydrophobicContact CD1-CD1 4.39Å; I559-I578 HydrophobicContact CG2-CD1 4.2Å; L560-I578 HydrophobicContact CD2-CD1 3.68Å; L560-I578 HydrophobicContact CD2-CG1 3.93Å; F564-I578 HydrophobicContact CB-CB 4.19Å; F564-I578 HydrophobicContact CB-CD1 4.45Å; F564-I578 WeakPolarHBondContact O-CB 3.32Å; F564-I578 PolarHBondContact O-N 2.88Å; F565-I578 HydrophobicContact CB-CB 3.98Å; F565-I578 HydrophobicContact CB-CG1 4.42Å; F565-I578 HydrophobicContact CB-CG2 3.85Å; F565-I578 HydrophobicContact CD2-CG2 3.82Å; F565-I578 HydrophobicContact CG-CG2 4.24Å; N574-I578 WeakPolarHBondContact O-CG2 3.41Å; N574-I578 PolarHBondContact O-N 2.87Å; I578-V581 HydrophobicContact CD1-CB 4.28Å; I578-V581 HydrophobicContact CD1-CG1 4.42Å; I578-V581 PolarHBondContact O-N 3.06Å; I578-I582 HydrophobicContact CG1-CD1 4.08Å; I578-I582 HydrophobicContact CG1-CG1 4.36Å; I578-I582 WeakPolarHBondContact O-CB 3.48Å; I578-I582 WeakPolarHBondContact O-CD1 3.25Å; I578-I582 VanDerWaalsContact O-CG1 3.24Å; I578-I582 WeakPolarHBondContact O-CG1 3.42Å; I578-I582 PolarHBondContact O-N 3.48Å
579	G	98.8	Very high	98.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	I	π-helix	trans	-63.8	-42.4	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 3.34Å; N574-G579 PolarHBondContact O-N 3.47Å; Y575-G579 CarbonylContact O-C 3.54Å; Y575-G579 VanDerWaalsContact O-CA 3.28Å; Y575-G579 WeakPolarHBondContact O-CA 3.37Å; Y575-G579 PolarHBondContact O-N 3.3Å; G577-G579 VanDerWaalsContact C-N 3.26Å; G577-G579 PolarHBondContact O-N 2.92Å; G579-I582 PolarHBondContact O-N 3.22Å; G579-G583 PolarHBondContact O-N 3.43Å; G579-A658 VanDerWaalsContact C-CB 3.48Å
580	M	98.8	Very high	98.8	Very high	3 Å²	3	5.1 Å²	5.1	2%	0.015	3%	0.027	C	C	.	.	H	α-helix	trans	-63.7	-41.9	173.7	176.6	-94.5	171.4	0	0	111.2	Y575 G577 I582 G583 H584 D651 I655 A658 F690 W694	Y575-M580 PolarHBondContact O-N 3.28Å; G577-M580 PolarHBondContact O-N 2.84Å; M580-I582 VanDerWaalsContact C-N 3.34Å; M580-I582 PolarHBondContact O-N 2.92Å; M580-G583 PolarHBondContact O-N 3.48Å; M580-H584 WeakPolarHBondContact O-CB 3.42Å; M580-H584 PolarHBondContact O-N 2.94Å; M580-D651 HydrophobicContact CE-CB 4.21Å; M580-D651 WeakPolarHBondContact CE-OD1 3.25Å; M580-I655 HydrophobicContact CB-CD1 4.02Å; M580-I655 HydrophobicContact CG-CB 4.11Å; M580-I655 HydrophobicContact CG-CD1 3.86Å; M580-A658 HydrophobicContact CB-CB 4.28Å; M580-F690 HydrophobicContact CE-CD2 4.31Å; M580-F690 HydrophobicContact CE-CE2 3.66Å; M580-F690 HydrophobicContact CG-CD2 3.86Å; M580-F690 HydrophobicContact CG-CE2 4.09Å; M580-F690 HydrophobicContact SD-CD2 3.91Å; M580-F690 HydrophobicContact SD-CE2 3.88Å; M580-W694 HydrophobicContact CE-CZ2 4.22Å; M580-W694 HydrophobicContact SD-CZ2 4.42Å
581	V	98.8	Very high	98.8	Very high	12 Å²	12	5.3 Å²	5.3	7%	0.073	3%	0.028	C	C	.	.	H	α-helix	trans	-62.3	-40.2	175.2	178.1	0	0	0	0	111.5	A544 F555 I559 F564 G577 I578 H584 E585	A544-V581 HydrophobicContact CB-CG1 3.53Å; F555-V581 HydrophobicContact CD1-CG1 4.3Å; F555-V581 HydrophobicContact CE1-CG1 4.1Å; I559-V581 HydrophobicContact CD1-CG1 4.11Å; F564-V581 HydrophobicContact CD1-CG2 3.92Å; F564-V581 HydrophobicContact CE1-CG2 4.07Å; G577-V581 PolarHBondContact O-N 3.2Å; I578-V581 HydrophobicContact CD1-CB 4.28Å; I578-V581 HydrophobicContact CD1-CG1 4.42Å; I578-V581 PolarHBondContact O-N 3.06Å; V581-H584 WeakPolarHBondContact O-CB 3.47Å; V581-H584 PolarHBondContact O-N 3.5Å; V581-E585 WeakPolarHBondContact O-CG 3.13Å; V581-E585 PolarHBondContact O-N 3.11Å
582	I	98.9	Very high	98.8	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-62.4	-47.4	175.2	-70.9	159.1	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 3.95Å; 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 3.96Å; I447-I582 HydrophobicContact CD1-CB 3.76Å; I447-I582 HydrophobicContact CD1-CD1 4.1Å; I447-I582 HydrophobicContact CD1-CG2 3.68Å; I447-I582 HydrophobicContact CG1-CG2 4.44Å; I447-I582 HydrophobicContact CG2-CG2 4Å; F555-I582 HydrophobicContact CD1-CG1 4.29Å; F555-I582 HydrophobicContact CE1-CB 4.27Å; F555-I582 HydrophobicContact CE1-CG1 3.71Å; F555-I582 HydrophobicContact CE2-CG1 4.1Å; F555-I582 HydrophobicContact CZ-CB 4.02Å; F555-I582 HydrophobicContact CZ-CG1 3.62Å; 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-CB 3.48Å; I578-I582 WeakPolarHBondContact O-CD1 3.25Å; I578-I582 VanDerWaalsContact O-CG1 3.24Å; I578-I582 WeakPolarHBondContact O-CG1 3.42Å; I578-I582 PolarHBondContact O-N 3.48Å; G579-I582 PolarHBondContact O-N 3.22Å; M580-I582 VanDerWaalsContact C-N 3.34Å; M580-I582 PolarHBondContact O-N 2.92Å; I582-H584 VanDerWaalsContact C-N 3.27Å; I582-H584 PolarHBondContact O-N 3.23Å; I582-E585 PolarHBondContact O-N 3.48Å; I582-I586 HydrophobicContact CG2-CD1 3.85Å; I582-I586 WeakPolarHBondContact O-CG1 3.39Å; I582-I586 PolarHBondContact O-N 2.9Å
583	G	98.9	Very high	98.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63	-34.9	176.7	0	0	0	0	0	112.4	G579 M580 I586 T587 Q657	G579-G583 PolarHBondContact O-N 3.43Å; M580-G583 PolarHBondContact O-N 3.48Å; G583-I586 PolarHBondContact O-N 2.92Å; G583-T587 VanDerWaalsContact O-CB 3.25Å; G583-T587 WeakPolarHBondContact O-CB 3.42Å; G583-T587 PolarHBondContact O-N 3.19Å; G583-T587 PolarHBondContact O-OG1 2.69Å; G583-Q657 VanDerWaalsContact CA-OE1 3.29Å; G583-Q657 PolarHBondContact O-OE1 2.99Å
584	H	98.9	Very high	98.7	Very high	9 Å²	9	7.3 Å²	7.3	4%	0.042	4%	0.038	C	C	.	.	H	α-helix	trans	-58.5	-54.4	173.8	-174.1	94.3	0	0	0	110.8	M580 V581 I582 I586 T587 H588 E647 A650 D651 R718	M580-H584 WeakPolarHBondContact O-CB 3.42Å; M580-H584 PolarHBondContact O-N 2.94Å; V581-H584 WeakPolarHBondContact O-CB 3.47Å; V581-H584 PolarHBondContact O-N 3.5Å; I582-H584 VanDerWaalsContact C-N 3.27Å; I582-H584 PolarHBondContact O-N 3.23Å; H584-I586 PolarHBondContact O-N 3.03Å; H584-T587 PolarHBondContact O-N 3.07Å; H584-T587 VanDerWaalsContact O-N 3.11Å; H584-H588 AromaticContact CD2-CD2 3.59Å; H584-H588 AromaticContact CD2-NE2 3.35Å; H584-H588 PolarHBondContact CD2-NE2 2.8Å; H584-H588 AromaticContact CE1-NE2 3.89Å; H584-H588 AromaticContact NE2-CD2 3.63Å; H584-H588 AromaticContact NE2-CE1 3.7Å; H584-H588 AromaticContact NE2-NE2 2.88Å; H584-H588 PolarHBondContact NE2-NE2 2.65Å; H584-H588 PolarHBondContact O-N 3.31Å; H584-E647 IonicContact CE1-OE2 3.02Å; H584-E647 PolarHBondContact CE1-OE2 3.43Å; H584-E647 IonicContact NE2-OE2 3.51Å; H584-E647 PolarHBondContact NE2-OE2 2.87Å; H584-A650 WeakPolarHBondContact CE1-CB 3.38Å; H584-A650 VanDerWaalsContact ND1-C 3.29Å; H584-A650 WeakPolarHBondContact ND1-CB 3.48Å; H584-D651 IonicContact CE1-OD1 2.72Å; H584-D651 PolarHBondContact ND1-N 3.38Å; H584-D651 IonicContact ND1-OD1 3.05Å; H584-D651 PolarHBondContact ND1-OD1 2.83Å; H584-R718 PolarHBondContact CE1-NH2 3.28Å
585	E	98.8	Very high	98.7	Very high	12 Å²	12	8 Å²	8	6%	0.056	4%	0.041	C	C	.	.	H	α-helix	trans	-66.4	-34.1	-179.8	-58.3	-48.6	145.6	0	0	113.5	A544 F545 Y546 I553 F555 V581 I582 T587 H588	A544-E585 HydrophobicContact CB-CG 3.79Å; A544-E585 WeakPolarHBondContact CB-OE1 3.37Å; F545-E585 VanDerWaalsContact CA-OE2 3.23Å; F545-E585 WeakPolarHBondContact CA-OE2 3.34Å; F545-E585 PolarHBondContact N-OE2 2.98Å; Y546-E585 PolarHBondContact N-OE2 3.5Å; I553-E585 HydrophobicContact CB-CB 4.13Å; I553-E585 HydrophobicContact CG2-CB 3.74Å; F555-E585 HydrophobicContact CE1-CB 4.23Å; F555-E585 HydrophobicContact CE1-CG 3.69Å; F555-E585 HydrophobicContact CZ-CB 4Å; F555-E585 HydrophobicContact CZ-CG 3.98Å; V581-E585 WeakPolarHBondContact O-CG 3.13Å; V581-E585 PolarHBondContact O-N 3.11Å; I582-E585 PolarHBondContact O-N 3.48Å; E585-T587 VanDerWaalsContact C-N 3.34Å; E585-H588 IonicContact OE2-CD2 2.66Å
586	I	98.9	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64.8	-43	172.5	-71.1	169	0	0	0	110	I447 R448 F451 I476 I553 I582 G583 H584 H588 G589 F590	I447-I586 HydrophobicContact CB-CD1 4.49Å; I447-I586 HydrophobicContact CG2-CD1 4Å; R448-I586 HydrophobicContact CB-CD1 4.28Å; F451-I586 HydrophobicContact CB-CG2 4.31Å; F451-I586 HydrophobicContact CD2-CG2 4.11Å; F451-I586 HydrophobicContact CG-CG2 4.05Å; I476-I586 HydrophobicContact CD1-CG1 4.49Å; I476-I586 HydrophobicContact CD1-CG2 4.09Å; I553-I586 HydrophobicContact CD1-CG1 3.98Å; I582-I586 HydrophobicContact CG2-CD1 3.85Å; I582-I586 WeakPolarHBondContact O-CG1 3.39Å; I582-I586 PolarHBondContact O-N 2.9Å; G583-I586 PolarHBondContact O-N 2.92Å; H584-I586 PolarHBondContact O-N 3.03Å; I586-H588 VanDerWaalsContact C-N 3.29Å; I586-H588 PolarHBondContact O-N 3.01Å; I586-G589 PolarHBondContact O-N 2.86Å; I586-F590 WeakPolarHBondContact O-CD2 3.26Å
587	T	98.9	Very high	98.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-67.9	-27.9	-177.9	-56.4	0	0	0	0	112.3	G583 H584 E585 G589 F590 D591 I649 A650 Q657 W750	G583-T587 VanDerWaalsContact O-CB 3.25Å; G583-T587 WeakPolarHBondContact O-CB 3.42Å; G583-T587 PolarHBondContact O-N 3.19Å; G583-T587 PolarHBondContact O-OG1 2.69Å; H584-T587 PolarHBondContact O-N 3.07Å; H584-T587 VanDerWaalsContact O-N 3.11Å; E585-T587 VanDerWaalsContact C-N 3.34Å; T587-G589 PolarHBondContact O-N 2.93Å; T587-F590 CarbonylContact O-C 3.32Å; T587-F590 WeakPolarHBondContact O-CA 3.18Å; T587-F590 PolarHBondContact O-N 3.1Å; T587-D591 PolarHBondContact O-N 3.42Å; T587-I649 HydrophobicContact CG2-CG2 3.98Å; T587-A650 HydrophobicContact CG2-CB 4.42Å; T587-Q657 PolarHBondContact OG1-NE2 2.91Å; T587-Q657 PolarHBondContact OG1-OE1 3.38Å; T587-W750 HydrophobicContact CG2-CB 4.43Å; T587-W750 VanDerWaalsContact CG2-CD1 3.43Å; T587-W750 HydrophobicContact CG2-CG 4.09Å
588	H	98.8	Very high	98.7	Very high	17 Å²	17	9.8 Å²	9.8	8%	0.079	5%	0.05	C	C	.	.	H	α-helix	trans	-58	-26.2	169.3	-83.7	-49.2	0	0	0	113.4	Y546 H584 E585 I586 F590 D591 G594 E647	Y546-H588 HydrophobicContact CD1-CB 3.59Å; Y546-H588 HydrophobicContact CE1-CB 4.43Å; Y546-H588 HydrophobicContact CG-CB 3.73Å; H584-H588 AromaticContact CD2-CD2 3.59Å; H584-H588 AromaticContact CD2-NE2 3.35Å; H584-H588 PolarHBondContact CD2-NE2 2.8Å; H584-H588 AromaticContact CE1-NE2 3.89Å; H584-H588 AromaticContact NE2-CD2 3.63Å; H584-H588 AromaticContact NE2-CE1 3.7Å; H584-H588 AromaticContact NE2-NE2 2.88Å; H584-H588 PolarHBondContact NE2-NE2 2.65Å; H584-H588 PolarHBondContact O-N 3.31Å; E585-H588 IonicContact OE2-CD2 2.66Å; I586-H588 VanDerWaalsContact C-N 3.29Å; I586-H588 PolarHBondContact O-N 3.01Å; H588-F590 PolarHBondContact O-N 3.34Å; H588-F590 VanDerWaalsContact O-N 3.08Å; H588-D591 IonicContact CE1-OD2 2.87Å; H588-D591 IonicContact CG-OD2 3.77Å; H588-D591 IonicContact ND1-OD2 3.44Å; H588-D591 PolarHBondContact ND1-OD2 3.07Å; H588-G594 WeakPolarHBondContact O-CA 3.28Å; H588-E647 IonicContact CE1-OE1 3.72Å; H588-E647 PolarHBondContact CE1-OE1 2.72Å; H588-E647 IonicContact CE1-OE2 2.75Å; H588-E647 PolarHBondContact CE1-OE2 2.91Å; H588-E647 IonicContact NE2-OE1 3.48Å; H588-E647 PolarHBondContact NE2-OE1 2.91Å; H588-E647 IonicContact NE2-OE2 3.85Å; H588-E647 PolarHBondContact NE2-OE2 2.83Å
589	G	98.7	Very high	98.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-12.2	168.9	0	0	0	0	0	114.2	K472 Y546 I586 T587 G594	K472-G589 WeakPolarHBondContact CE-O 3.24Å; K472-G589 PolarHBondContact NZ-O 3.21Å; Y546-G589 WeakPolarHBondContact OH-CA 3.21Å; I586-G589 PolarHBondContact O-N 2.86Å; T587-G589 PolarHBondContact O-N 2.93Å; G589-G594 CarbonylContact O-C 3.4Å; G589-G594 VanDerWaalsContact O-C 3.26Å
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	-138.7	11	-170.2	-55.1	-84.7	0	0	0	113.2	F451 A469 K472 A473 I476 I586 T587 H588 W606 F615 W750	F451-F590 HydrophobicContact CD1-CE2 4.32Å; F451-F590 AromaticContact CE1-CD2 3.88Å; F451-F590 HydrophobicContact CE1-CD2 3.88Å; F451-F590 HydrophobicContact CE1-CE1 4.15Å; F451-F590 AromaticContact CE1-CE2 3.46Å; F451-F590 HydrophobicContact CE1-CE2 3.46Å; F451-F590 VanDerWaalsContact CE1-CE2 3.46Å; F451-F590 HydrophobicContact CE1-CG 4.38Å; F451-F590 AromaticContact CE1-CZ 3.62Å; F451-F590 HydrophobicContact CE1-CZ 3.62Å; F451-F590 AromaticContact CE2-CD2 3.85Å; F451-F590 HydrophobicContact CE2-CD2 3.85Å; F451-F590 HydrophobicContact CE2-CE2 4.21Å; F451-F590 HydrophobicContact CE2-CG 4.33Å; F451-F590 HydrophobicContact CZ-CB 4.33Å; F451-F590 HydrophobicContact CZ-CD1 4.02Å; F451-F590 AromaticContact CZ-CD2 3.28Å; F451-F590 HydrophobicContact CZ-CD2 3.28Å; F451-F590 HydrophobicContact CZ-CE1 4.13Å; F451-F590 AromaticContact CZ-CE2 3.41Å; F451-F590 HydrophobicContact CZ-CE2 3.41Å; F451-F590 VanDerWaalsContact CZ-CE2 3.41Å; F451-F590 AromaticContact CZ-CG 3.61Å; F451-F590 HydrophobicContact CZ-CG 3.61Å; F451-F590 AromaticContact CZ-CZ 3.84Å; F451-F590 HydrophobicContact CZ-CZ 3.84Å; A469-F590 HydrophobicContact CB-CD1 4.42Å; A469-F590 HydrophobicContact CB-CE1 3.96Å; A469-F590 WeakPolarHBondContact O-CZ 3.4Å; K472-F590 HydrophobicContact CB-CE1 4Å; K472-F590 HydrophobicContact CB-CZ 3.99Å; K472-F590 HydrophobicContact CD-CD1 4.48Å; K472-F590 HydrophobicContact CD-CE1 3.84Å; 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 4.29Å; A473-F590 HydrophobicContact CB-CZ 3.9Å; I476-F590 HydrophobicContact CD1-CE2 4.26Å; I586-F590 WeakPolarHBondContact O-CD2 3.26Å; T587-F590 CarbonylContact O-C 3.32Å; T587-F590 WeakPolarHBondContact O-CA 3.18Å; T587-F590 PolarHBondContact O-N 3.1Å; H588-F590 PolarHBondContact O-N 3.34Å; H588-F590 VanDerWaalsContact O-N 3.08Å; F590-W606 HydrophobicContact CD1-CH2 4.06Å; F590-W606 HydrophobicContact CD1-CZ2 4.43Å; F590-W606 HydrophobicContact CE1-CH2 4.16Å; F590-F615 WeakPolarHBondContact O-CE2 3.26Å; F590-W750 HydrophobicContact CB-CD2 4.24Å; F590-W750 HydrophobicContact CB-CH2 3.94Å; F590-W750 HydrophobicContact CB-CZ2 3.41Å; F590-W750 VanDerWaalsContact CB-CZ2 3.41Å; F590-W750 HydrophobicContact CD1-CH2 4.3Å; F590-W750 HydrophobicContact CG-CH2 4.44Å; F590-W750 HydrophobicContact CG-CZ2 4.36Å; F590-W750 VanDerWaalsContact O-CE2 3.26Å; F590-W750 WeakPolarHBondContact O-CZ2 3.33Å; F590-W750 PolarHBondContact O-NE1 3.37Å
591	D	98.7	Very high	98.6	Very high	12 Å²	12	16.9 Å²	16.9	6%	0.064	8%	0.084	C	C	.	.	S	Bend	trans	-73.4	-172.5	172.1	71.7	21	0	0	0	112	T587 H588 N593 G594 R595 I649	T587-D591 PolarHBondContact O-N 3.42Å; H588-D591 IonicContact CE1-OD2 2.87Å; H588-D591 IonicContact CG-OD2 3.77Å; H588-D591 IonicContact ND1-OD2 3.44Å; H588-D591 PolarHBondContact ND1-OD2 3.07Å; D591-N593 PolarHBondContact O-N 3.28Å; D591-N593 WeakPolarHBondContact OD1-CA 3.49Å; D591-N593 PolarHBondContact OD1-N 3.49Å; D591-G594 PolarHBondContact OD1-N 3.32Å; D591-R595 WeakPolarHBondContact O-CB 3.39Å; D591-R595 WeakPolarHBondContact O-CG 3.39Å; D591-R595 PolarHBondContact O-N 3.35Å; D591-R595 VanDerWaalsContact O-N 3.07Å; D591-I649 HydrophobicContact CB-CB 4.47Å; D591-I649 HydrophobicContact CB-CG2 4.28Å
592	D	98.1	Very high	98.6	Very high	25 Å²	25	18 Å²	18	13%	0.134	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.2	-176.9	61.1	-54.7	0	0	0	114.1	N596 F615 L645 G646	D592-N596 PolarHBondContact O-ND2 3.42Å; D592-F615 HydrophobicContact CB-CE1 4.06Å; D592-F615 HydrophobicContact CB-CZ 4.41Å; D592-L645 HydrophobicContact CB-CD2 4.18Å; D592-G646 WeakPolarHBondContact OD1-CA 3.24Å; D592-G646 PolarHBondContact OD1-N 2.86Å
593	N	98.4	Very high	98.6	Very high	58 Å²	58	18.3 Å²	18.3	31%	0.31	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-59.2	172.7	-176.6	-87.1	0	0	0	111.9	D591 R595 N596	D591-N593 PolarHBondContact O-N 3.28Å; D591-N593 WeakPolarHBondContact OD1-CA 3.49Å; D591-N593 PolarHBondContact OD1-N 3.49Å; N593-R595 VanDerWaalsContact C-N 3.27Å; N593-R595 PolarHBondContact O-N 2.93Å; N593-N596 WeakPolarHBondContact O-CB 3.19Å; N593-N596 PolarHBondContact O-N 3.19Å; N593-N596 VanDerWaalsContact O-N 3.12Å; N593-N596 PolarHBondContact O-ND2 3.02Å
594	G	98.4	Very high	98.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-62.6	-30.9	-171.7	0	0	0	0	0	113.1	K472 H588 G589 D591 N596 F597	K472-G594 PolarHBondContact NZ-O 3.28Å; H588-G594 WeakPolarHBondContact O-CA 3.28Å; G589-G594 CarbonylContact O-C 3.4Å; G589-G594 VanDerWaalsContact O-C 3.26Å; D591-G594 PolarHBondContact OD1-N 3.32Å; G594-N596 PolarHBondContact O-N 2.93Å; G594-F597 PolarHBondContact O-N 3.4Å
595	R	98.6	Very high	98.4	Very high	16 Å²	16	25.5 Å²	25.5	6%	0.06	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-57.9	-22.2	176.5	76.7	171.2	-175.5	67.8	19.4	113.9	D591 N593 F597 W606 W607	D591-R595 WeakPolarHBondContact O-CB 3.39Å; D591-R595 WeakPolarHBondContact O-CG 3.39Å; D591-R595 PolarHBondContact O-N 3.35Å; D591-R595 VanDerWaalsContact O-N 3.07Å; N593-R595 VanDerWaalsContact C-N 3.27Å; N593-R595 PolarHBondContact O-N 2.93Å; R595-F597 VanDerWaalsContact C-N 3.26Å; R595-F597 PolarHBondContact O-N 3.32Å; R595-W606 WeakPolarHBondContact O-CZ2 3.32Å; R595-W606 PolarHBondContact O-NE1 3.15Å; R595-W607 HydrophobicContact CB-CZ2 3.66Å; R595-W607 HydrophobicContact CG-CZ2 4.35Å; R595-W607 PolarHBondContact O-NE1 3.49Å
596	N	98.8	Very high	98.4	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.032	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-81.7	-7.8	-177.8	-54.3	-76.5	0	0	0	112.5	P296 M297 D592 N593 G594 L603 V604	P296-N596 HydrophobicContact CG-CB 3.77Å; M297-N596 HydrophobicContact CE-CB 4.39Å; D592-N596 PolarHBondContact O-ND2 3.42Å; N593-N596 WeakPolarHBondContact O-CB 3.19Å; N593-N596 PolarHBondContact O-N 3.19Å; N593-N596 VanDerWaalsContact O-N 3.12Å; N593-N596 PolarHBondContact O-ND2 3.02Å; G594-N596 PolarHBondContact O-N 2.93Å; N596-L603 HydrophobicContact CB-CD1 3.65Å; N596-L603 WeakPolarHBondContact O-CA 3.36Å; N596-V604 PolarHBondContact O-N 3.19Å; N596-V604 VanDerWaalsContact O-N 3.11Å; N596-V604 VanDerWaalsContact O-O 3.1Å
597	F	98.8	Very high	98.4	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.035	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-101.3	138.9	177.2	-63.2	-97.3	0	0	0	109.9	D209 P296 K472 G594 R595 G601 D602 L603 W606	D209-F597 HydrophobicContact CB-CE1 4.13Å; P296-F597 HydrophobicContact CB-CE2 4.23Å; P296-F597 HydrophobicContact CB-CZ 4.33Å; P296-F597 HydrophobicContact CG-CE2 4.13Å; K472-F597 WeakPolarHBondContact CD-O 3.35Å; K472-F597 WeakPolarHBondContact CE-O 3.5Å; K472-F597 PolarHBondContact NZ-O 2.88Å; G594-F597 PolarHBondContact O-N 3.4Å; R595-F597 VanDerWaalsContact C-N 3.26Å; R595-F597 PolarHBondContact O-N 3.32Å; F597-G601 WeakPolarHBondContact CD1-O 3.33Å; F597-D602 CarbonylContact C-O 3.54Å; F597-D602 VanDerWaalsContact CA-O 3.28Å; F597-D602 WeakPolarHBondContact CA-O 3.45Å; F597-L603 HydrophobicContact CD1-CB 4.08Å; F597-L603 HydrophobicContact CD2-CD1 4.49Å; F597-L603 HydrophobicContact CE1-CB 3.87Å; F597-L603 HydrophobicContact CE1-CD1 4.35Å; F597-L603 HydrophobicContact CE2-CD1 4.18Å; F597-L603 HydrophobicContact CZ-CB 4.41Å; F597-L603 HydrophobicContact CZ-CD1 4.11Å; F597-W606 PolarHBondContact O-NE1 3.3Å
598	N	98.5	Very high	98.4	Very high	28 Å²	28	28.8 Å²	28.8	15%	0.15	15%	0.148	C	C	.	.			trans	-79.6	-172.5	177.5	70.9	14	0	0	0	112.1	D600 G601 D602 V604	N598-D600 PolarHBondContact O-N 3.23Å; N598-D600 WeakPolarHBondContact OD1-CA 3.34Å; N598-D600 PolarHBondContact OD1-N 3.31Å; N598-G601 PolarHBondContact O-N 3.42Å; N598-G601 PolarHBondContact OD1-N 3.38Å; N598-D602 PolarHBondContact N-O 3.49Å; N598-D602 PolarHBondContact OD1-N 3.02Å; N598-V604 HydrophobicContact CB-CG1 3.6Å; N598-V604 WeakPolarHBondContact ND2-CG1 3.27Å
599	K	98.4	Very high	98.4	Very high	85 Å²	85	34.2 Å²	34.2	37%	0.37	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.9	178.2	70.8	173.4	-176.9	58.2	0	115.1	K472 A475 N551	K472-K599 HydrophobicContact CB-CB 4.33Å; A475-K599 HydrophobicContact CB-CB 3.7Å; N551-K599 PolarHBondContact ND2-O 3.29Å
600	D	97.9	Very high	98.4	Very high	67 Å²	67	39.8 Å²	39.8	36%	0.358	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-10.4	-177.8	-59.7	-53.1	0	0	0	111.7	S212 K532 N598	S212-D600 PolarHBondContact OG-O 2.87Å; S212-D600 VanDerWaalsContact OG-O 3.06Å; K532-D600 PolarHBondContact NZ-O 2.79Å; N598-D600 PolarHBondContact O-N 3.23Å; N598-D600 WeakPolarHBondContact OD1-CA 3.34Å; N598-D600 PolarHBondContact OD1-N 3.31Å
601	G	97.9	Very high	98.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	93.5	15.6	-177.5	0	0	0	0	0	114.1	S548 G549 F597 N598	S548-G601 VanDerWaalsContact O-CA 3.24Å; S548-G601 WeakPolarHBondContact O-CA 3.46Å; G549-G601 WeakPolarHBondContact CA-O 3.37Å; F597-G601 WeakPolarHBondContact CD1-O 3.33Å; N598-G601 PolarHBondContact O-N 3.42Å; N598-G601 PolarHBondContact OD1-N 3.38Å
602	D	98.6	Very high	98.3	Very high	35 Å²	35	39.7 Å²	39.7	19%	0.187	20%	0.2	C	C	.	.			trans	-92.6	137.7	176.2	-50.5	-44	0	0	0	110.9	D209 S212 F597 N598 V604	D209-D602 CarbonylContact O-C 3.24Å; D209-D602 WeakPolarHBondContact O-CA 3.3Å; S212-D602 WeakPolarHBondContact CB-OD1 3.39Å; S212-D602 PolarHBondContact N-OD1 2.99Å; S212-D602 PolarHBondContact OG-OD1 2.83Å; F597-D602 CarbonylContact C-O 3.54Å; F597-D602 VanDerWaalsContact CA-O 3.28Å; F597-D602 WeakPolarHBondContact CA-O 3.45Å; N598-D602 PolarHBondContact N-O 3.49Å; N598-D602 PolarHBondContact OD1-N 3.02Å; D602-V604 PolarHBondContact O-N 3.33Å
603	L	98.6	Very high	98.4	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-72.3	92.1	175.3	179.6	68.8	0	0	0	109.8	D209 K210 P296 M297 Y300 N596 F597	D209-L603 HydrophobicContact CB-CB 4Å; D209-L603 HydrophobicContact CB-CD2 4.03Å; D209-L603 VanDerWaalsContact O-CB 3.28Å; D209-L603 WeakPolarHBondContact O-CB 3.38Å; D209-L603 PolarHBondContact O-N 3.34Å; K210-L603 HydrophobicContact CG-CB 4.03Å; K210-L603 HydrophobicContact CG-CD2 4.27Å; K210-L603 HydrophobicContact CG-CG 4.44Å; P296-L603 HydrophobicContact CB-CD1 3.88Å; P296-L603 HydrophobicContact CB-CD2 4.41Å; P296-L603 HydrophobicContact CG-CD1 3.84Å; P296-L603 WeakPolarHBondContact O-CD2 3.16Å; M297-L603 HydrophobicContact CE-CD1 3.67Å; M297-L603 HydrophobicContact CE-CG 3.79Å; M297-L603 HydrophobicContact CG-CD1 4.06Å; M297-L603 HydrophobicContact CG-CG 4.49Å; M297-L603 HydrophobicContact SD-CD1 3.79Å; M297-L603 HydrophobicContact SD-CD2 4.13Å; M297-L603 HydrophobicContact SD-CG 3.64Å; Y300-L603 HydrophobicContact CD2-CD2 4.3Å; Y300-L603 HydrophobicContact CG-CD2 4.12Å; N596-L603 HydrophobicContact CB-CD1 3.65Å; N596-L603 WeakPolarHBondContact O-CA 3.36Å; F597-L603 HydrophobicContact CD1-CB 4.08Å; F597-L603 HydrophobicContact CD2-CD1 4.49Å; F597-L603 HydrophobicContact CE1-CB 3.87Å; F597-L603 HydrophobicContact CE1-CD1 4.35Å; F597-L603 HydrophobicContact CE2-CD1 4.18Å; F597-L603 HydrophobicContact CZ-CB 4.41Å; F597-L603 HydrophobicContact CZ-CD1 4.11Å
604	V	97.9	Very high	98.4	Very high	66 Å²	66	40.5 Å²	40.5	40%	0.4	20%	0.204	S	C	.	.			trans	-142.6	138.8	179.7	62	0	0	0	0	109.4	M297 N596 N598 D602 W606	M297-V604 VanDerWaalsContact CE-C 3.44Å; N596-V604 PolarHBondContact O-N 3.19Å; N596-V604 VanDerWaalsContact O-N 3.11Å; N596-V604 VanDerWaalsContact O-O 3.1Å; N598-V604 HydrophobicContact CB-CG1 3.6Å; N598-V604 WeakPolarHBondContact ND2-CG1 3.27Å; D602-V604 PolarHBondContact O-N 3.33Å; V604-W606 VanDerWaalsContact O-CD1 3.24Å; V604-W606 PolarHBondContact O-N 3.42Å
605	D	96.9	Very high	98.4	Very high	95 Å²	95	40.6 Å²	40.6	51%	0.508	20%	0.204	S	C	.	.			trans	-74	111.9	176.3	-165.5	1.8	0	0	0	110	M297 W607	M297-D605 HydrophobicContact CE-CB 4.34Å; D605-W607 WeakPolarHBondContact OD1-CB 3.31Å; D605-W607 PolarHBondContact OD1-N 3.35Å
606	W	98.4	Very high	98.4	Very high	33 Å²	33	44.8 Å²	44.8	13%	0.125	22%	0.223	C	C	.	.			trans	-110.6	8.9	175.4	54.6	-94.9	0	0	0	112.3	T465 K468 A469 K472 F590 R595 F597 V604	T465-W606 HydrophobicContact CG2-CE3 4.44Å; T465-W606 HydrophobicContact CG2-CZ3 4.11Å; K468-W606 HydrophobicContact CB-CD2 4.29Å; K468-W606 HydrophobicContact CB-CE3 3.46Å; K468-W606 VanDerWaalsContact CB-CE3 3.46Å; K468-W606 HydrophobicContact CB-CZ3 4Å; K468-W606 HydrophobicContact CG-CE3 4.48Å; A469-W606 HydrophobicContact CB-CH2 4.22Å; A469-W606 HydrophobicContact CB-CZ3 4.12Å; K472-W606 HydrophobicContact CD-CZ2 4.06Å; F590-W606 HydrophobicContact CD1-CH2 4.06Å; F590-W606 HydrophobicContact CD1-CZ2 4.43Å; F590-W606 HydrophobicContact CE1-CH2 4.16Å; R595-W606 WeakPolarHBondContact O-CZ2 3.32Å; R595-W606 PolarHBondContact O-NE1 3.15Å; F597-W606 PolarHBondContact O-NE1 3.3Å; V604-W606 VanDerWaalsContact O-CD1 3.24Å; V604-W606 PolarHBondContact O-N 3.42Å
607	W	98.6	Very high	98.4	Very high	15 Å²	15	50 Å²	50	6%	0.057	25%	0.251	C	S	.	.	S	Bend	trans	-97.7	146.4	179.3	-67.4	67.5	0	0	0	110.5	W460 M461 T465 R595 D605 A612 F615 W750	W460-W607 HydrophobicContact CH2-CH2 4.03Å; W460-W607 HydrophobicContact CH2-CZ3 4.07Å; W460-W607 HydrophobicContact CZ3-CH2 4.24Å; W460-W607 AromaticContact CZ3-CZ3 3.8Å; W460-W607 HydrophobicContact CZ3-CZ3 3.8Å; M461-W607 HydrophobicContact CE-CH2 4.07Å; M461-W607 HydrophobicContact CE-CZ3 4.09Å; T465-W607 HydrophobicContact CG2-CB 4.41Å; T465-W607 HydrophobicContact CG2-CD2 3.72Å; T465-W607 HydrophobicContact CG2-CE3 3.48Å; T465-W607 VanDerWaalsContact CG2-CE3 3.48Å; T465-W607 HydrophobicContact CG2-CG 4.16Å; T465-W607 HydrophobicContact CG2-CZ3 3.92Å; R595-W607 HydrophobicContact CB-CZ2 3.66Å; R595-W607 HydrophobicContact CG-CZ2 4.35Å; R595-W607 PolarHBondContact O-NE1 3.49Å; D605-W607 WeakPolarHBondContact OD1-CB 3.31Å; D605-W607 PolarHBondContact OD1-N 3.35Å; W607-A612 HydrophobicContact CB-CB 4.07Å; W607-F615 HydrophobicContact CH2-CB 4.48Å; W607-F615 AromaticContact CH2-CD2 3.91Å; W607-F615 HydrophobicContact CH2-CD2 3.91Å; W607-F615 HydrophobicContact CH2-CG 4.46Å; W607-F615 HydrophobicContact CZ3-CB 4.09Å; W607-F615 HydrophobicContact CZ3-CD2 4.35Å; W607-W750 AromaticContact CH2-CH2 3.62Å; W607-W750 HydrophobicContact CH2-CH2 3.62Å; W607-W750 AromaticContact CH2-CZ2 3.9Å; W607-W750 HydrophobicContact CH2-CZ2 3.9Å; W607-W750 HydrophobicContact CZ2-CH2 4.09Å; W607-W750 HydrophobicContact CZ2-CZ2 4.28Å
608	T	98.6	Very high	98.4	Very high	33 Å²	33	52.7 Å²	52.7	20%	0.202	26%	0.264	C	S	.	.			trans	-70.9	155.2	161.6	78.3	0	0	0	0	109.5	D462 E464 T465 Q610 S611 A612	D462-T608 WeakPolarHBondContact OD2-CB 3.48Å; D462-T608 WeakPolarHBondContact OD2-CG2 3.48Å; D462-T608 PolarHBondContact OD2-OG1 2.91Å; E464-T608 HydrophobicContact CB-CG2 4.47Å; T465-T608 PolarHBondContact OG1-N 3.32Å; T608-Q610 PolarHBondContact O-N 2.91Å; T608-Q610 PolarHBondContact OG1-N 3.39Å; T608-S611 PolarHBondContact O-N 2.92Å; T608-S611 PolarHBondContact OG1-N 2.96Å; T608-A612 WeakPolarHBondContact O-CB 3.21Å; T608-A612 PolarHBondContact O-N 3.1Å
609	Q	98.2	Very high	98.4	Very high	131 Å²	131	51.7 Å²	51.7	61%	0.612	26%	0.259	S	S	*	.	H	α-helix	trans	-55.6	-38.3	176.2	-173.3	65.3	54.6	0	0	112.5	N613	Q609-N613 PolarHBondContact NE2-OD1 2.9Å; Q609-N613 WeakPolarHBondContact O-CB 3.41Å; Q609-N613 PolarHBondContact O-N 3.48Å; Q609-N613 PolarHBondContact O-ND2 3.39Å
610	Q	98.4	Very high	98.4	Very high	117 Å²	117	51.1 Å²	51.1	55%	0.547	26%	0.258	S	S	.	.	H	α-helix	trans	-67.3	-48.8	-179.2	-175.3	64.1	52.5	0	0	111.1	T608 A612 N613 N614	T608-Q610 PolarHBondContact O-N 2.91Å; T608-Q610 PolarHBondContact OG1-N 3.39Å; Q610-A612 VanDerWaalsContact C-N 3.33Å; Q610-A612 PolarHBondContact O-N 3.47Å; Q610-N613 PolarHBondContact O-N 3.05Å; Q610-N614 PolarHBondContact NE2-OD1 3.46Å; Q610-N614 WeakPolarHBondContact O-CB 3.5Å; Q610-N614 PolarHBondContact O-N 3.42Å; Q610-N614 PolarHBondContact O-OD1 3.47Å
611	S	98.7	Very high	98.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-36	179.2	-70.6	0	0	0	0	111.9	D462 T465 T608 N614 F615	D462-S611 VanDerWaalsContact CG-OG 3.25Å; D462-S611 PolarHBondContact N-OG 2.74Å; D462-S611 PolarHBondContact OD2-OG 3.28Å; T465-S611 WeakPolarHBondContact OG1-CB 3.27Å; T465-S611 PolarHBondContact OG1-OG 3.31Å; T608-S611 PolarHBondContact O-N 2.92Å; T608-S611 PolarHBondContact OG1-N 2.96Å; S611-N614 PolarHBondContact O-N 3.3Å; S611-F615 WeakPolarHBondContact O-CB 2.99Å; S611-F615 PolarHBondContact O-N 3.43Å
612	A	98.5	Very high	98.5	Very high	9 Å²	9	48.6 Å²	48.6	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-40.2	174.9	0	0	0	0	0	112.8	W607 T608 Q610 K616	W607-A612 HydrophobicContact CB-CB 4.07Å; T608-A612 WeakPolarHBondContact O-CB 3.21Å; T608-A612 PolarHBondContact O-N 3.1Å; Q610-A612 VanDerWaalsContact C-N 3.33Å; Q610-A612 PolarHBondContact O-N 3.47Å; A612-K616 PolarHBondContact O-N 2.97Å
613	N	98.6	Very high	98.5	Very high	66 Å²	66	47.7 Å²	47.7	35%	0.353	24%	0.241	S	C	.	.	H	α-helix	trans	-66.6	-45.3	174	-71.7	-12.5	0	0	0	111.1	Q609 Q610 F615 K616 D617	Q609-N613 PolarHBondContact NE2-OD1 2.9Å; Q609-N613 WeakPolarHBondContact O-CB 3.41Å; Q609-N613 PolarHBondContact O-N 3.48Å; Q609-N613 PolarHBondContact O-ND2 3.39Å; Q610-N613 PolarHBondContact O-N 3.05Å; N613-F615 VanDerWaalsContact C-N 3.29Å; N613-F615 PolarHBondContact O-N 2.65Å; N613-K616 WeakPolarHBondContact O-CB 3.4Å; N613-K616 PolarHBondContact O-N 3.08Å; N613-K616 VanDerWaalsContact O-N 3.1Å; N613-D617 PolarHBondContact O-N 3.31Å
614	N	98.8	Very high	98.5	Very high	34 Å²	34	53.8 Å²	53.8	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-38.6	177.2	-69.3	-6.3	0	0	0	111.8	W460 Q610 S611 K616 D617 Q618	W460-N614 HydrophobicContact CB-CB 4.3Å; W460-N614 HydrophobicContact CE3-CB 3.96Å; W460-N614 VanDerWaalsContact O-CB 3.28Å; W460-N614 WeakPolarHBondContact O-CB 3.28Å; W460-N614 PolarHBondContact O-ND2 3.13Å; Q610-N614 PolarHBondContact NE2-OD1 3.46Å; Q610-N614 WeakPolarHBondContact O-CB 3.5Å; Q610-N614 PolarHBondContact O-N 3.42Å; Q610-N614 PolarHBondContact O-OD1 3.47Å; S611-N614 PolarHBondContact O-N 3.3Å; N614-K616 VanDerWaalsContact C-N 3.32Å; N614-K616 PolarHBondContact O-N 3.15Å; N614-D617 PolarHBondContact O-N 2.81Å; N614-Q618 WeakPolarHBondContact O-CG 3.28Å; N614-Q618 PolarHBondContact O-N 2.97Å
615	F	98.8	Very high	98.5	Very high	2 Å²	2	52 Å²	52	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-55.2	-49.5	173.3	178.3	-87.5	0	0	0	111	W460 F590 D592 W607 S611 N613 D617 Q618 S619 I649 V749 W750	W460-F615 HydrophobicContact CH2-CB 4.35Å; W460-F615 AromaticContact CH2-CD2 3.85Å; W460-F615 HydrophobicContact CH2-CD2 3.85Å; W460-F615 HydrophobicContact CZ3-CB 3.8Å; W460-F615 HydrophobicContact CZ3-CD2 4.17Å; F590-F615 WeakPolarHBondContact O-CE2 3.26Å; D592-F615 HydrophobicContact CB-CE1 4.06Å; D592-F615 HydrophobicContact CB-CZ 4.41Å; W607-F615 HydrophobicContact CH2-CB 4.48Å; W607-F615 AromaticContact CH2-CD2 3.91Å; W607-F615 HydrophobicContact CH2-CD2 3.91Å; W607-F615 HydrophobicContact CH2-CG 4.46Å; W607-F615 HydrophobicContact CZ3-CB 4.09Å; W607-F615 HydrophobicContact CZ3-CD2 4.35Å; S611-F615 WeakPolarHBondContact O-CB 2.99Å; S611-F615 PolarHBondContact O-N 3.43Å; N613-F615 VanDerWaalsContact C-N 3.29Å; N613-F615 PolarHBondContact O-N 2.65Å; F615-D617 VanDerWaalsContact C-N 3.33Å; F615-D617 PolarHBondContact O-N 2.91Å; F615-Q618 PolarHBondContact O-N 3.09Å; F615-S619 WeakPolarHBondContact O-CB 3.33Å; F615-S619 PolarHBondContact O-N 3.42Å; F615-S619 PolarHBondContact O-OG 2.99Å; F615-I649 HydrophobicContact CZ-CD1 4.02Å; F615-V749 HydrophobicContact CD2-CG1 3.89Å; F615-V749 HydrophobicContact CE2-CG1 3.66Å; F615-W750 HydrophobicContact CD2-CZ2 4.08Å; F615-W750 AromaticContact CE2-CZ2 3.82Å; F615-W750 HydrophobicContact CE2-CZ2 3.82Å; F615-W750 AromaticContact CE2-NE1 3.99Å
616	K	98.3	Very high	98.6	Very high	105 Å²	105	47.5 Å²	47.5	46%	0.457	23%	0.227	S	C	.	.	H	α-helix	trans	-61.7	-41.3	178.2	-67.3	179.2	-179.4	-174.9	0	111.5	A612 N613 N614 Q618 S619 Q620	A612-K616 PolarHBondContact O-N 2.97Å; N613-K616 WeakPolarHBondContact O-CB 3.4Å; N613-K616 PolarHBondContact O-N 3.08Å; N613-K616 VanDerWaalsContact O-N 3.1Å; N614-K616 VanDerWaalsContact C-N 3.32Å; N614-K616 PolarHBondContact O-N 3.15Å; K616-Q618 PolarHBondContact O-N 2.88Å; K616-S619 WeakPolarHBondContact CA-OG 3.42Å; K616-S619 PolarHBondContact O-N 3.41Å; K616-S619 PolarHBondContact O-OG 3.09Å; K616-S619 VanDerWaalsContact O-OG 3.12Å; K616-Q620 WeakPolarHBondContact O-CB 3.34Å; K616-Q620 PolarHBondContact O-N 3.16Å
617	D	98.4	Very high	98.6	Very high	114 Å²	114	46.9 Å²	46.9	61%	0.61	23%	0.231	S	C	*	.	H	α-helix	trans	-62.5	-41.7	177.8	-70	-20.6	0	0	0	112	N613 N614 F615	N613-D617 PolarHBondContact O-N 3.31Å; N614-D617 PolarHBondContact O-N 2.81Å; F615-D617 VanDerWaalsContact C-N 3.33Å; F615-D617 PolarHBondContact O-N 2.91Å
618	Q	98.7	Very high	98.6	Very high	65 Å²	65	51.7 Å²	51.7	30%	0.304	26%	0.258	S	S	.	.	H	α-helix	trans	-69.6	-46.2	176.5	-61.8	-58.9	2	0	0	112	W460 N614 F615 K616 Q620 C621 V749	W460-Q618 HydrophobicContact CB-CG 4.35Å; W460-Q618 HydrophobicContact CD2-CG 4.12Å; W460-Q618 HydrophobicContact CG-CG 3.96Å; N614-Q618 WeakPolarHBondContact O-CG 3.28Å; N614-Q618 PolarHBondContact O-N 2.97Å; F615-Q618 PolarHBondContact O-N 3.09Å; K616-Q618 PolarHBondContact O-N 2.88Å; Q618-Q620 VanDerWaalsContact C-N 3.27Å; Q618-Q620 PolarHBondContact O-N 2.93Å; Q618-C621 VanDerWaalsContact O-CB 3.23Å; Q618-C621 WeakPolarHBondContact O-CB 3.26Å; Q618-C621 PolarHBondContact O-N 3.38Å; Q618-V749 HydrophobicContact CB-CG2 4.04Å
619	S	98.6	Very high	98.6	Very high	8 Å²	8	50.9 Å²	50.9	6%	0.056	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-31	-178.2	71	0	0	0	0	112	F615 K616 C621 M622 V623	F615-S619 WeakPolarHBondContact O-CB 3.33Å; F615-S619 PolarHBondContact O-N 3.42Å; F615-S619 PolarHBondContact O-OG 2.99Å; K616-S619 WeakPolarHBondContact CA-OG 3.42Å; K616-S619 PolarHBondContact O-N 3.41Å; K616-S619 PolarHBondContact O-OG 3.09Å; K616-S619 VanDerWaalsContact O-OG 3.12Å; S619-C621 PolarHBondContact O-N 2.94Å; S619-C621 VanDerWaalsContact O-N 3.16Å; S619-M622 PolarHBondContact O-N 2.92Å; S619-V623 PolarHBondContact O-N 3.3Å; S619-V623 VanDerWaalsContact O-N 3.14Å
620	Q	98.7	Very high	98.7	Very high	72 Å²	72	48.1 Å²	48.1	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-28.2	176.1	-170.5	60.8	57.3	0	0	112.6	K616 Q618 M622 V623 Y624	K616-Q620 WeakPolarHBondContact O-CB 3.34Å; K616-Q620 PolarHBondContact O-N 3.16Å; Q618-Q620 VanDerWaalsContact C-N 3.27Å; Q618-Q620 PolarHBondContact O-N 2.93Å; Q620-M622 VanDerWaalsContact C-N 3.35Å; Q620-V623 PolarHBondContact O-N 3.4Å; Q620-Y624 HydrophobicContact CG-CD2 4.03Å; Q620-Y624 HydrophobicContact CG-CE2 3.45Å; Q620-Y624 VanDerWaalsContact CG-CE2 3.45Å; Q620-Y624 VanDerWaalsContact NE2-CE1 3.29Å; Q620-Y624 PolarHBondContact NE2-OH 3.07Å; Q620-Y624 WeakPolarHBondContact O-CD2 3.42Å; Q620-Y624 PolarHBondContact O-N 2.83Å; Q620-Y624 VanDerWaalsContact O-N 3.15Å
621	C	98.8	Very high	98.7	Very high	13 Å²	13	42.6 Å²	42.6	9%	0.088	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-46.7	171.9	-171.7	0	0	0	0	111.5	Q618 S619 Y624 Q625 C747	Q618-C621 VanDerWaalsContact O-CB 3.23Å; Q618-C621 WeakPolarHBondContact O-CB 3.26Å; Q618-C621 PolarHBondContact O-N 3.38Å; S619-C621 PolarHBondContact O-N 2.94Å; S619-C621 VanDerWaalsContact O-N 3.16Å; C621-Y624 PolarHBondContact O-N 3.16Å; C621-Q625 WeakPolarHBondContact O-CB 3.34Å; C621-Q625 PolarHBondContact O-N 2.86Å; C621-C747 HydrophobicContact CB-CB 3.66Å; C621-C747 WeakPolarHBondContact CB-SG 3.48Å; C621-C747 PolarHBondContact O-SG 2.9Å; C621-C747 VanDerWaalsContact O-SG 3.35Å; C621-C747 WeakPolarHBondContact SG-CA 3.4Å; C621-C747 WeakPolarHBondContact SG-CB 3.29Å; C621-C747 CovalentContact SG-SG 2.05Å; C621-C747 PolarHBondContact SG-SG 3.35Å
622	M	98.9	Very high	98.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-70.8	-36.4	-179.7	-66.1	-178.1	-179.6	0	0	111.8	S619 Q620 Y624 Q625 Y626 L645 I649 N652 C747 V749	S619-M622 PolarHBondContact O-N 2.92Å; Q620-M622 VanDerWaalsContact C-N 3.35Å; M622-Y624 VanDerWaalsContact C-N 3.28Å; M622-Y624 PolarHBondContact O-N 3.33Å; M622-Q625 PolarHBondContact O-N 3.39Å; M622-Y626 HydrophobicContact CB-CD2 4.4Å; M622-Y626 WeakPolarHBondContact O-CD2 3.47Å; M622-Y626 PolarHBondContact O-N 2.77Å; M622-L645 HydrophobicContact CB-CD1 4.02Å; M622-I649 HydrophobicContact SD-CG1 3.9Å; M622-N652 HydrophobicContact CE-CB 3.54Å; M622-N652 HydrophobicContact SD-CB 4.4Å; M622-C747 HydrophobicContact CE-CB 4.11Å; M622-C747 HydrophobicContact CG-CB 3.6Å; M622-V749 HydrophobicContact CE-CG2 4.3Å; M622-V749 HydrophobicContact SD-CG2 4.41Å
623	V	98.8	Very high	98.6	Very high	16 Å²	16	50.1 Å²	50.1	10%	0.097	26%	0.257	C	S	.	.	H	α-helix	trans	-53.8	-48.5	172	175.5	0	0	0	0	110.6	S619 Q620 G627 I642 L645	S619-V623 PolarHBondContact O-N 3.3Å; S619-V623 VanDerWaalsContact O-N 3.14Å; Q620-V623 PolarHBondContact O-N 3.4Å; V623-G627 PolarHBondContact O-N 3.23Å; V623-I642 HydrophobicContact CG1-CG1 3.78Å; V623-L645 HydrophobicContact CG2-CD1 3.74Å; V623-L645 HydrophobicContact CG2-CD2 3.75Å; V623-L645 HydrophobicContact CG2-CG 4.21Å
624	Y	98.8	Very high	98.6	Very high	135 Å²	135	47 Å²	47	53%	0.529	24%	0.241	S	C	.	.	H	α-helix	trans	-71.5	-38.6	178.7	-64.9	-43.6	0	0	0	113.3	Q620 C621 M622 N628	Q620-Y624 HydrophobicContact CG-CD2 4.03Å; Q620-Y624 HydrophobicContact CG-CE2 3.45Å; Q620-Y624 VanDerWaalsContact CG-CE2 3.45Å; Q620-Y624 VanDerWaalsContact NE2-CE1 3.29Å; Q620-Y624 PolarHBondContact NE2-OH 3.07Å; Q620-Y624 WeakPolarHBondContact O-CD2 3.42Å; Q620-Y624 PolarHBondContact O-N 2.83Å; Q620-Y624 VanDerWaalsContact O-N 3.15Å; C621-Y624 PolarHBondContact O-N 3.16Å; M622-Y624 VanDerWaalsContact C-N 3.28Å; M622-Y624 PolarHBondContact O-N 3.33Å; Y624-N628 WeakPolarHBondContact O-CB 3.32Å; Y624-N628 PolarHBondContact O-N 2.82Å; Y624-N628 VanDerWaalsContact O-N 3.17Å; Y624-N628 PolarHBondContact O-ND2 3.49Å
625	Q	98.9	Very high	98.5	Very high	28 Å²	28	48.7 Å²	48.7	13%	0.131	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-55.6	178.2	-176.8	-173.1	13.5	0	0	110.5	C621 M622 N628 F629 G721 N725	C621-Q625 WeakPolarHBondContact O-CB 3.34Å; C621-Q625 PolarHBondContact O-N 2.86Å; M622-Q625 PolarHBondContact O-N 3.39Å; Q625-N628 PolarHBondContact O-N 3.36Å; Q625-F629 HydrophobicContact CG-CE2 4.4Å; Q625-F629 HydrophobicContact CG-CZ 4.23Å; Q625-G721 PolarHBondContact NE2-O 3.17Å; Q625-G721 VanDerWaalsContact NE2-O 3.12Å; Q625-N725 PolarHBondContact NE2-ND2 2.77Å; Q625-N725 PolarHBondContact NE2-OD1 3.33Å; Q625-N725 PolarHBondContact OE1-ND2 3.34Å; Q625-N725 PolarHBondContact OE1-OD1 3.41Å
626	Y	98.8	Very high	98.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-73.2	-34.5	-176.1	-75.7	-100.9	0	0	0	112.1	M622 N628 F629 L639 N648 N652 S713 T722	M622-Y626 HydrophobicContact CB-CD2 4.4Å; M622-Y626 WeakPolarHBondContact O-CD2 3.47Å; M622-Y626 PolarHBondContact O-N 2.77Å; Y626-N628 PolarHBondContact O-N 3.28Å; Y626-F629 AromaticContact CD1-CD2 3.82Å; Y626-F629 HydrophobicContact CD1-CD2 3.82Å; Y626-F629 AromaticContact CD1-CE2 3.75Å; Y626-F629 HydrophobicContact CD1-CE2 3.75Å; Y626-F629 HydrophobicContact CD2-CE2 4.43Å; Y626-F629 HydrophobicContact CE1-CD2 4.48Å; Y626-F629 HydrophobicContact CE1-CE2 4.06Å; Y626-F629 HydrophobicContact CG-CD2 4.11Å; Y626-F629 AromaticContact CG-CE2 3.99Å; Y626-F629 HydrophobicContact CG-CE2 3.99Å; Y626-F629 WeakPolarHBondContact O-CB 3.36Å; Y626-F629 PolarHBondContact O-N 2.99Å; Y626-L639 HydrophobicContact CD1-CD1 4.48Å; Y626-L639 WeakPolarHBondContact O-CB 3.26Å; Y626-N648 WeakPolarHBondContact CD1-ND2 3.37Å; Y626-N648 WeakPolarHBondContact CD1-OD1 3.48Å; Y626-N648 HydrophobicContact CD2-CB 4.11Å; Y626-N648 HydrophobicContact CE1-CB 4.27Å; Y626-N648 WeakPolarHBondContact CE1-OD1 3.29Å; Y626-N648 HydrophobicContact CE2-CB 3.83Å; Y626-N648 HydrophobicContact CG-CB 4.44Å; Y626-N652 PolarHBondContact OH-ND2 3.46Å; Y626-S713 WeakPolarHBondContact CD1-OG 3.28Å; Y626-T722 PolarHBondContact OH-N 2.93Å; Y626-T722 PolarHBondContact OH-OG1 3.33Å
627	G	98.7	Very high	98.4	Very high	20 Å²	20	47.4 Å²	47.4	21%	0.206	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-21.9	171.6	0	0	0	0	0	114.1	V623 H638	V623-G627 PolarHBondContact O-N 3.23Å; G627-H638 WeakPolarHBondContact O-CB 3.2Å; G627-H638 PolarHBondContact O-ND1 3.49Å
628	N	98.6	Very high	98.4	Very high	116 Å²	116	46.7 Å²	46.7	62%	0.62	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.7	174.7	-80.1	-40.5	0	0	0	113.7	Y624 Q625 Y626 T630	Y624-N628 WeakPolarHBondContact O-CB 3.32Å; Y624-N628 PolarHBondContact O-N 2.82Å; Y624-N628 VanDerWaalsContact O-N 3.17Å; Y624-N628 PolarHBondContact O-ND2 3.49Å; Q625-N628 PolarHBondContact O-N 3.36Å; Y626-N628 PolarHBondContact O-N 3.28Å; N628-T630 PolarHBondContact O-N 3.47Å
629	F	98.8	Very high	98.4	Very high	17 Å²	17	44.1 Å²	44.1	8%	0.075	25%	0.252	C	S	.	.			trans	-73.6	121.7	174.1	-67.1	-43.9	0	0	0	111	Q625 Y626 H638 L639 F717 I720	Q625-F629 HydrophobicContact CG-CE2 4.4Å; Q625-F629 HydrophobicContact CG-CZ 4.23Å; Y626-F629 AromaticContact CD1-CD2 3.82Å; Y626-F629 HydrophobicContact CD1-CD2 3.82Å; Y626-F629 AromaticContact CD1-CE2 3.75Å; Y626-F629 HydrophobicContact CD1-CE2 3.75Å; Y626-F629 HydrophobicContact CD2-CE2 4.43Å; Y626-F629 HydrophobicContact CE1-CD2 4.48Å; Y626-F629 HydrophobicContact CE1-CE2 4.06Å; Y626-F629 HydrophobicContact CG-CD2 4.11Å; Y626-F629 AromaticContact CG-CE2 3.99Å; Y626-F629 HydrophobicContact CG-CE2 3.99Å; Y626-F629 WeakPolarHBondContact O-CB 3.36Å; Y626-F629 PolarHBondContact O-N 2.99Å; F629-H638 WeakPolarHBondContact O-CA 3.2Å; F629-L639 HydrophobicContact CB-CD1 3.97Å; F629-L639 HydrophobicContact CB-CG 4.09Å; F629-L639 HydrophobicContact CD2-CD1 4.22Å; F629-L639 PolarHBondContact O-N 3.46Å; F629-F717 HydrophobicContact CB-CD1 3.74Å; F629-F717 HydrophobicContact CB-CD2 4.45Å; F629-F717 HydrophobicContact CB-CE1 3.73Å; F629-F717 HydrophobicContact CB-CE2 4.42Å; F629-F717 HydrophobicContact CB-CG 4.13Å; F629-F717 HydrophobicContact CB-CZ 4.08Å; F629-F717 AromaticContact CD1-CD1 3.86Å; F629-F717 HydrophobicContact CD1-CD1 3.86Å; F629-F717 AromaticContact CD1-CE1 3.98Å; F629-F717 HydrophobicContact CD1-CE1 3.98Å; F629-F717 HydrophobicContact CD2-CB 4.05Å; F629-F717 AromaticContact CD2-CD1 3.79Å; F629-F717 HydrophobicContact CD2-CD1 3.79Å; F629-F717 HydrophobicContact CD2-CG 4.07Å; F629-F717 HydrophobicContact CE1-CD1 4.43Å; F629-F717 HydrophobicContact CE2-CB 4.47Å; F629-F717 HydrophobicContact CE2-CD1 4.38Å; F629-F717 AromaticContact CG-CD1 3.52Å; F629-F717 HydrophobicContact CG-CD1 3.52Å; F629-F717 AromaticContact CG-CE1 3.86Å; F629-F717 HydrophobicContact CG-CE1 3.86Å; F629-F717 HydrophobicContact CG-CG 4.13Å; F629-I720 HydrophobicContact CE1-CG2 4.12Å; F629-I720 HydrophobicContact CZ-CG2 4.12Å
630	T	98.4	Very high	98.4	Very high	73 Å²	73	45.8 Å²	45.8	45%	0.448	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.5	174.6	-51.7	0	0	0	0	109.4	N628 G636 H638 F717	N628-T630 PolarHBondContact O-N 3.47Å; T630-G636 VanDerWaalsContact CG2-O 3.22Å; T630-G636 WeakPolarHBondContact CG2-O 3.36Å; T630-H638 PolarHBondContact OG1-CE1 3.35Å; T630-H638 VanDerWaalsContact OG1-CE1 3.26Å; T630-F717 WeakPolarHBondContact O-CZ 3.46Å
631	W	98.6	Very high	98.4	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111	-179.6	-163.9	14.8	0	0	0	111.8	L633 A634 G636 Q637 L639 Y698 A703 S706 I707 P714 F717	W631-L633 HydrophobicContact CZ2-CB 4.43Å; W631-L633 HydrophobicContact CZ2-CD1 4.38Å; W631-L633 PolarHBondContact O-N 3.44Å; W631-A634 HydrophobicContact CB-CB 4.13Å; W631-A634 HydrophobicContact CD2-CB 4.06Å; W631-A634 HydrophobicContact CE3-CB 3.71Å; W631-A634 HydrophobicContact CG-CB 4.25Å; W631-A634 HydrophobicContact CZ3-CB 4.45Å; W631-A634 PolarHBondContact O-N 3Å; W631-G636 WeakPolarHBondContact O-CA 3.44Å; W631-G636 PolarHBondContact O-N 3.4Å; W631-Q637 PolarHBondContact N-O 2.93Å; W631-L639 HydrophobicContact CB-CD2 4.27Å; W631-L639 HydrophobicContact CE3-CD2 4.3Å; W631-Y698 AromaticContact CH2-CD1 3.76Å; W631-Y698 HydrophobicContact CH2-CD1 3.76Å; W631-Y698 HydrophobicContact CH2-CD2 4.29Å; W631-Y698 HydrophobicContact CH2-CE1 4Å; W631-Y698 AromaticContact CH2-CG 3.92Å; W631-Y698 HydrophobicContact CH2-CG 3.92Å; W631-Y698 HydrophobicContact CZ2-CD1 4Å; W631-Y698 AromaticContact CZ2-CD2 3.71Å; W631-Y698 HydrophobicContact CZ2-CD2 3.71Å; W631-Y698 HydrophobicContact CZ2-CE1 4.37Å; W631-Y698 HydrophobicContact CZ2-CE2 4.16Å; W631-Y698 AromaticContact CZ2-CG 3.66Å; W631-Y698 HydrophobicContact CZ2-CG 3.66Å; W631-A703 HydrophobicContact CD2-CB 4.36Å; W631-A703 HydrophobicContact CE3-CB 4.16Å; W631-A703 HydrophobicContact CH2-CB 3.51Å; W631-A703 HydrophobicContact CZ2-CB 3.74Å; W631-A703 HydrophobicContact CZ3-CB 3.73Å; W631-A703 VanDerWaalsContact CZ3-O 3.31Å; W631-A703 WeakPolarHBondContact CZ3-O 3.42Å; W631-S706 WeakPolarHBondContact CH2-OG 3.46Å; W631-S706 WeakPolarHBondContact CZ3-OG 3.4Å; W631-I707 HydrophobicContact CE3-CB 4.09Å; W631-I707 HydrophobicContact CE3-CD1 4.12Å; W631-I707 HydrophobicContact CE3-CG1 4.2Å; W631-I707 HydrophobicContact CZ3-CB 4.09Å; W631-P714 HydrophobicContact CD2-CB 4.33Å; W631-P714 HydrophobicContact CD2-CG 3.72Å; W631-P714 HydrophobicContact CE3-CG 3.55Å; W631-P714 HydrophobicContact CH2-CB 3.96Å; W631-P714 HydrophobicContact CH2-CG 3.58Å; W631-P714 HydrophobicContact CZ2-CB 3.7Å; W631-P714 HydrophobicContact CZ2-CG 3.73Å; W631-P714 HydrophobicContact CZ3-CB 4.37Å; W631-P714 HydrophobicContact CZ3-CG 3.5Å; W631-P714 VanDerWaalsContact CZ3-CG 3.5Å; W631-F717 HydrophobicContact CB-CE2 3.88Å; W631-F717 AromaticContact CD1-CE2 3.8Å; W631-F717 AromaticContact CG-CE2 3.85Å; W631-F717 HydrophobicContact CG-CE2 3.85Å
632	D	98	Very high	98.3	Very high	122 Å²	122	45.2 Å²	45.2	65%	0.652	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-57.6	-44.7	179.2	61.7	-24.1	0	0	0	113.1	A634 G635	D632-A634 PolarHBondContact O-N 3.2Å; D632-G635 PolarHBondContact O-N 3.28Å
633	L	98.2	Very high	98.3	Very high	45 Å²	45	46.8 Å²	46.8	24%	0.236	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-64.5	-27.1	178.9	-60.5	175.4	0	0	0	112.8	W631 G635 P700 A703	W631-L633 HydrophobicContact CZ2-CB 4.43Å; W631-L633 HydrophobicContact CZ2-CD1 4.38Å; W631-L633 PolarHBondContact O-N 3.44Å; L633-G635 PolarHBondContact O-N 2.88Å; L633-P700 WeakPolarHBondContact O-CA 3.21Å; L633-A703 HydrophobicContact CB-CB 3.71Å
634	A	98	Very high	98.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-90.2	20.6	174.3	0	0	0	0	0	112.8	W631 D632 Q637 A703 I707	W631-A634 HydrophobicContact CB-CB 4.13Å; W631-A634 HydrophobicContact CD2-CB 4.06Å; W631-A634 HydrophobicContact CE3-CB 3.71Å; W631-A634 HydrophobicContact CG-CB 4.25Å; W631-A634 HydrophobicContact CZ3-CB 4.45Å; W631-A634 PolarHBondContact O-N 3Å; D632-A634 PolarHBondContact O-N 3.2Å; A634-Q637 HydrophobicContact CB-CB 4.32Å; A634-Q637 WeakPolarHBondContact O-CG 3.36Å; A634-Q637 PolarHBondContact O-NE2 3.1Å; A634-A703 HydrophobicContact CB-CB 4.16Å; A634-I707 HydrophobicContact CB-CD1 3.94Å; A634-I707 HydrophobicContact CB-CG2 4.37Å
635	G	96	Very high	98.3	Very high	69 Å²	69	40.4 Å²	40.4	71%	0.711	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	28.4	177.8	0	0	0	0	0	113.9	D632 L633	D632-G635 PolarHBondContact O-N 3.28Å; L633-G635 PolarHBondContact O-N 2.88Å
636	G	97.2	Very high	98.3	Very high	37 Å²	37	39.6 Å²	39.6	38%	0.381	24%	0.241	S	C	.	.	S	Bend	trans	78.6	18.7	-178.5	0	0	0	0	0	113.9	T630 W631	T630-G636 VanDerWaalsContact CG2-O 3.22Å; T630-G636 WeakPolarHBondContact CG2-O 3.36Å; W631-G636 WeakPolarHBondContact O-CA 3.44Å; W631-G636 PolarHBondContact O-N 3.4Å
637	Q	98.2	Very high	98.3	Very high	43 Å²	43	40.8 Å²	40.8	20%	0.201	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	147.9	173.5	-73.7	179.1	84.3	0	0	111.3	I237 W631 A634 I707	I237-Q637 VanDerWaalsContact CD1-NE2 3.25Å; W631-Q637 PolarHBondContact N-O 2.93Å; A634-Q637 HydrophobicContact CB-CB 4.32Å; A634-Q637 WeakPolarHBondContact O-CG 3.36Å; A634-Q637 PolarHBondContact O-NE2 3.1Å; Q637-I707 HydrophobicContact CB-CD1 3.73Å
638	H	98.6	Very high	98.3	Very high	99 Å²	99	39.8 Å²	39.8	46%	0.458	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	144.2	170.7	-75.6	-93	0	0	0	111	G627 F629 T630 I707	G627-H638 WeakPolarHBondContact O-CB 3.2Å; G627-H638 PolarHBondContact O-ND1 3.49Å; F629-H638 WeakPolarHBondContact O-CA 3.2Å; T630-H638 PolarHBondContact OG1-CE1 3.35Å; T630-H638 VanDerWaalsContact OG1-CE1 3.26Å; H638-I707 VanDerWaalsContact O-CD1 3.31Å; H638-I707 WeakPolarHBondContact O-CD1 3.22Å
639	L	98.7	Very high	98.3	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.052	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-62.7	156.3	168.9	-53.4	-174.9	0	0	0	110.2	Y626 F629 W631 G641 I707 P714 F717	Y626-L639 HydrophobicContact CD1-CD1 4.48Å; Y626-L639 WeakPolarHBondContact O-CB 3.26Å; F629-L639 HydrophobicContact CB-CD1 3.97Å; F629-L639 HydrophobicContact CB-CG 4.09Å; F629-L639 HydrophobicContact CD2-CD1 4.22Å; F629-L639 PolarHBondContact O-N 3.46Å; W631-L639 HydrophobicContact CB-CD2 4.27Å; W631-L639 HydrophobicContact CE3-CD2 4.3Å; L639-G641 PolarHBondContact O-N 3.39Å; L639-I707 HydrophobicContact CD2-CD1 4.02Å; L639-I707 HydrophobicContact CD2-CG1 3.97Å; L639-P714 HydrophobicContact CD2-CG 3.88Å; L639-F717 HydrophobicContact CD1-CB 3.99Å; L639-F717 HydrophobicContact CD1-CD2 3.75Å; L639-F717 HydrophobicContact CD1-CE2 4.49Å; L639-F717 HydrophobicContact CD1-CG 4Å; L639-F717 HydrophobicContact CD2-CD2 4.22Å; L639-F717 HydrophobicContact CD2-CE2 4.41Å; L639-F717 HydrophobicContact CG-CD2 4.31Å
640	N	98.3	Very high	98.3	Very high	44 Å²	44	33.6 Å²	33.6	24%	0.235	21%	0.205	C	C	.	.			trans	-88.4	99.2	170.4	-166.6	-45.9	0	0	0	109.9	E291 I642 N643 T644	E291-N640 PolarHBondContact OE1-ND2 3.4Å; N640-I642 PolarHBondContact O-N 3.17Å; N640-I642 WeakPolarHBondContact OD1-CB 3.49Å; N640-I642 PolarHBondContact OD1-N 2.89Å; N640-N643 HydrophobicContact CB-CB 4.08Å; N640-N643 PolarHBondContact ND2-ND2 3.44Å; N640-N643 VanDerWaalsContact ND2-ND2 3.15Å; N640-N643 PolarHBondContact O-N 3.17Å; N640-N643 PolarHBondContact OD1-N 3.03Å; N640-T644 WeakPolarHBondContact O-CB 3.33Å; N640-T644 WeakPolarHBondContact O-CG2 3.34Å; N640-T644 PolarHBondContact O-N 3.27Å; N640-T644 VanDerWaalsContact O-N 3.08Å; N640-T644 PolarHBondContact O-OG1 3.08Å
641	G	98.4	Very high	98.3	Very high	5 Å²	5	30.1 Å²	30.1	5%	0.052	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18	-179.1	0	0	0	0	0	114.7	L639	L639-G641 PolarHBondContact O-N 3.39Å
642	I	98.4	Very high	98.3	Very high	68 Å²	68	31 Å²	31	35%	0.349	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-52.9	175.7	-61.1	173.8	0	0	0	109.6	E291 N294 V623 N640 T644 L645	E291-I642 HydrophobicContact CB-CG2 4.05Å; E291-I642 HydrophobicContact CG-CB 4.19Å; E291-I642 HydrophobicContact CG-CD1 4.35Å; E291-I642 HydrophobicContact CG-CG2 4.13Å; N294-I642 WeakPolarHBondContact ND2-CG2 3.36Å; V623-I642 HydrophobicContact CG1-CG1 3.78Å; N640-I642 PolarHBondContact O-N 3.17Å; N640-I642 WeakPolarHBondContact OD1-CB 3.49Å; N640-I642 PolarHBondContact OD1-N 2.89Å; I642-T644 PolarHBondContact O-N 3.19Å; I642-L645 WeakPolarHBondContact O-CB 3.17Å; I642-L645 PolarHBondContact O-N 3.37Å; I642-L645 VanDerWaalsContact O-N 3.08Å
643	N	97.2	Very high	98.4	Very high	34 Å²	34	25.3 Å²	25.3	18%	0.182	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.8	-177.4	-64.1	-12.7	0	0	0	112.7	E291 N640	E291-N643 VanDerWaalsContact CG-OD1 3.28Å; E291-N643 WeakPolarHBondContact CG-OD1 3.31Å; E291-N643 PolarHBondContact N-OD1 2.86Å; E291-N643 PolarHBondContact OE1-ND2 3.2Å; E291-N643 PolarHBondContact OE1-OD1 3.21Å; N640-N643 HydrophobicContact CB-CB 4.08Å; N640-N643 PolarHBondContact ND2-ND2 3.44Å; N640-N643 VanDerWaalsContact ND2-ND2 3.15Å; N640-N643 PolarHBondContact O-N 3.17Å; N640-N643 PolarHBondContact OD1-N 3.03Å
644	T	98.8	Very high	98.4	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.043	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.3	177.5	59.4	0	0	0	0	114.2	N640 I642 G646 E647 N648 V711	N640-T644 WeakPolarHBondContact O-CB 3.33Å; N640-T644 WeakPolarHBondContact O-CG2 3.34Å; N640-T644 PolarHBondContact O-N 3.27Å; N640-T644 VanDerWaalsContact O-N 3.08Å; N640-T644 PolarHBondContact O-OG1 3.08Å; I642-T644 PolarHBondContact O-N 3.19Å; T644-G646 PolarHBondContact O-N 3.29Å; T644-E647 PolarHBondContact O-N 3.02Å; T644-N648 WeakPolarHBondContact CB-ND2 3.43Å; T644-N648 WeakPolarHBondContact O-CB 3.16Å; T644-N648 PolarHBondContact O-N 2.94Å; T644-N648 PolarHBondContact O-ND2 3.22Å; T644-N648 PolarHBondContact O-OD1 2.95Å; T644-N648 PolarHBondContact OG1-ND2 3.25Å; T644-V711 WeakPolarHBondContact CA-O 3.23Å
645	L	98.9	Very high	98.4	Very high	10 Å²	10	23.4 Å²	23.4	5%	0.052	15%	0.148	C	C	.	.	H	α-helix	trans	-60	-49.3	-168.3	-177.4	58.5	0	0	0	113	D592 M622 V623 I642 E647 N648 I649	D592-L645 HydrophobicContact CB-CD2 4.18Å; M622-L645 HydrophobicContact CB-CD1 4.02Å; V623-L645 HydrophobicContact CG2-CD1 3.74Å; V623-L645 HydrophobicContact CG2-CD2 3.75Å; V623-L645 HydrophobicContact CG2-CG 4.21Å; I642-L645 WeakPolarHBondContact O-CB 3.17Å; I642-L645 PolarHBondContact O-N 3.37Å; I642-L645 VanDerWaalsContact O-N 3.08Å; L645-E647 PolarHBondContact O-N 3.36Å; L645-N648 PolarHBondContact O-N 3.22Å; L645-I649 HydrophobicContact CD1-CD1 3.87Å; L645-I649 HydrophobicContact CD1-CG1 3.98Å; 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 3.28Å; L645-I649 PolarHBondContact O-N 3.5Å
646	G	98.6	Very high	98.6	Very high	10 Å²	10	21 Å²	21	10%	0.103	12%	0.123	C	C	.	.	H	α-helix	trans	-58.1	-47.5	-178.3	0	0	0	0	0	112.6	D592 T644 N648 I649 A650	D592-G646 WeakPolarHBondContact OD1-CA 3.24Å; D592-G646 PolarHBondContact OD1-N 2.86Å; T644-G646 PolarHBondContact O-N 3.29Å; G646-N648 PolarHBondContact O-N 3.46Å; G646-I649 PolarHBondContact O-N 3.22Å; G646-A650 WeakPolarHBondContact O-CB 3.46Å; G646-A650 PolarHBondContact O-N 2.91Å
647	E	98.8	Very high	98.6	Very high	25 Å²	25	19.2 Å²	19.2	12%	0.117	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-38.9	176.5	-62.8	-58	148.7	0	0	112.7	H584 H588 T644 L645 A650 D651 V711 H712 R718	H584-E647 IonicContact CE1-OE2 3.02Å; H584-E647 PolarHBondContact CE1-OE2 3.43Å; H584-E647 IonicContact NE2-OE2 3.51Å; H584-E647 PolarHBondContact NE2-OE2 2.87Å; H588-E647 IonicContact CE1-OE1 3.72Å; H588-E647 PolarHBondContact CE1-OE1 2.72Å; H588-E647 IonicContact CE1-OE2 2.75Å; H588-E647 PolarHBondContact CE1-OE2 2.91Å; H588-E647 IonicContact NE2-OE1 3.48Å; H588-E647 PolarHBondContact NE2-OE1 2.91Å; H588-E647 IonicContact NE2-OE2 3.85Å; H588-E647 PolarHBondContact NE2-OE2 2.83Å; T644-E647 PolarHBondContact O-N 3.02Å; L645-E647 PolarHBondContact O-N 3.36Å; E647-A650 PolarHBondContact O-N 3.27Å; E647-D651 WeakPolarHBondContact O-CB 3.37Å; E647-D651 PolarHBondContact O-N 3.1Å; E647-V711 HydrophobicContact CG-CB 4.32Å; E647-V711 HydrophobicContact CG-CG2 3.98Å; E647-V711 VanDerWaalsContact CG-O 3.24Å; E647-V711 WeakPolarHBondContact CG-O 3.29Å; E647-H712 VanDerWaalsContact CD-NE2 3.31Å; E647-H712 HydrophobicContact CG-CB 4.44Å; E647-H712 WeakPolarHBondContact CG-CD2 3.33Å; E647-H712 IonicContact OE1-CD2 3.84Å; E647-H712 IonicContact OE1-NE2 2.69Å; E647-H712 IonicContact OE2-CD2 2.69Å; E647-H712 PolarHBondContact OE2-CD2 2.88Å; E647-H712 IonicContact OE2-NE2 3.51Å; E647-H712 PolarHBondContact OE2-NE2 3.37Å; E647-R718 IonicContact OE2-NH2 2.74Å
648	N	98.9	Very high	98.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.9	-39.1	177.1	-62.4	-29.7	0	0	0	111.3	Y626 T644 L645 G646 A650 N652 S713	Y626-N648 WeakPolarHBondContact CD1-ND2 3.37Å; Y626-N648 WeakPolarHBondContact CD1-OD1 3.48Å; Y626-N648 HydrophobicContact CD2-CB 4.11Å; Y626-N648 HydrophobicContact CE1-CB 4.27Å; Y626-N648 WeakPolarHBondContact CE1-OD1 3.29Å; Y626-N648 HydrophobicContact CE2-CB 3.83Å; Y626-N648 HydrophobicContact CG-CB 4.44Å; T644-N648 WeakPolarHBondContact CB-ND2 3.43Å; T644-N648 WeakPolarHBondContact O-CB 3.16Å; T644-N648 PolarHBondContact O-N 2.94Å; T644-N648 PolarHBondContact O-ND2 3.22Å; T644-N648 PolarHBondContact O-OD1 2.95Å; T644-N648 PolarHBondContact OG1-ND2 3.25Å; L645-N648 PolarHBondContact O-N 3.22Å; G646-N648 PolarHBondContact O-N 3.46Å; N648-A650 VanDerWaalsContact C-N 3.34Å; N648-N652 WeakPolarHBondContact O-CB 3.49Å; N648-N652 PolarHBondContact O-N 3.22Å; N648-N652 VanDerWaalsContact O-N 3.12Å; N648-N652 PolarHBondContact O-ND2 2.94Å; N648-S713 WeakPolarHBondContact OD1-CB 3.49Å; N648-S713 PolarHBondContact OD1-OG 2.87Å
649	I	98.9	Very high	98.7	Very high	2 Å²	2	13 Å²	13	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-61.9	-45.9	173.5	-71.1	171.2	0	0	0	109.6	T587 D591 F615 M622 L645 G646 N652 G653 V749	T587-I649 HydrophobicContact CG2-CG2 3.98Å; D591-I649 HydrophobicContact CB-CB 4.47Å; D591-I649 HydrophobicContact CB-CG2 4.28Å; F615-I649 HydrophobicContact CZ-CD1 4.02Å; M622-I649 HydrophobicContact SD-CG1 3.9Å; L645-I649 HydrophobicContact CD1-CD1 3.87Å; L645-I649 HydrophobicContact CD1-CG1 3.98Å; 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 3.28Å; L645-I649 PolarHBondContact O-N 3.5Å; G646-I649 PolarHBondContact O-N 3.22Å; I649-N652 PolarHBondContact O-N 2.93Å; I649-G653 PolarHBondContact O-N 3.48Å; I649-V749 HydrophobicContact CG1-CG2 4.28Å; I649-V749 HydrophobicContact CG2-CB 4.47Å
650	A	98.9	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64	-41	179.6	0	0	0	0	0	112.6	H584 T587 G646 E647 N648 N652 G654	H584-A650 WeakPolarHBondContact CE1-CB 3.38Å; H584-A650 VanDerWaalsContact ND1-C 3.29Å; H584-A650 WeakPolarHBondContact ND1-CB 3.48Å; T587-A650 HydrophobicContact CG2-CB 4.42Å; G646-A650 WeakPolarHBondContact O-CB 3.46Å; G646-A650 PolarHBondContact O-N 2.91Å; E647-A650 PolarHBondContact O-N 3.27Å; N648-A650 VanDerWaalsContact C-N 3.34Å; A650-N652 PolarHBondContact O-N 3.24Å; A650-G654 WeakPolarHBondContact O-CA 3.15Å; A650-G654 PolarHBondContact O-N 3.06Å
651	D	98.9	Very high	98.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.2	-49.3	174.1	-82.7	-24.1	0	0	0	112.2	M580 H584 E647 I655 R718	M580-D651 HydrophobicContact CE-CB 4.21Å; M580-D651 WeakPolarHBondContact CE-OD1 3.25Å; H584-D651 IonicContact CE1-OD1 2.72Å; H584-D651 PolarHBondContact ND1-N 3.38Å; H584-D651 IonicContact ND1-OD1 3.05Å; H584-D651 PolarHBondContact ND1-OD1 2.83Å; E647-D651 WeakPolarHBondContact O-CB 3.37Å; E647-D651 PolarHBondContact O-N 3.1Å; D651-I655 PolarHBondContact O-N 3.39Å; D651-R718 VanDerWaalsContact CG-NE 3.32Å; D651-R718 IonicContact OD1-CZ 3.4Å; D651-R718 VanDerWaalsContact OD1-CZ 3.27Å; D651-R718 IonicContact OD1-NE 2.99Å; D651-R718 PolarHBondContact OD1-NE 2.91Å; D651-R718 VanDerWaalsContact OD1-NE 3.1Å; D651-R718 IonicContact OD1-NH2 2.72Å; D651-R718 PolarHBondContact OD1-NH2 3.35Å; D651-R718 WeakPolarHBondContact OD2-CB 3.32Å; D651-R718 VanDerWaalsContact OD2-CG 3.31Å; D651-R718 WeakPolarHBondContact OD2-CG 3.46Å; D651-R718 IonicContact OD2-CZ 3.45Å; D651-R718 IonicContact OD2-NE 2.76Å; D651-R718 PolarHBondContact OD2-NE 3.24Å; D651-R718 IonicContact OD2-NH2 3.32Å
652	N	98.9	Very high	98.7	Very high	20 Å²	20	12.8 Å²	12.8	11%	0.107	7%	0.07	C	C	.	.	H	α-helix	trans	-71	-41.2	-174.9	-79.9	-100.4	0	0	0	111.6	M622 Y626 N648 I649 A650 G656 N725	M622-N652 HydrophobicContact CE-CB 3.54Å; M622-N652 HydrophobicContact SD-CB 4.4Å; Y626-N652 PolarHBondContact OH-ND2 3.46Å; N648-N652 WeakPolarHBondContact O-CB 3.49Å; N648-N652 PolarHBondContact O-N 3.22Å; N648-N652 VanDerWaalsContact O-N 3.12Å; N648-N652 PolarHBondContact O-ND2 2.94Å; I649-N652 PolarHBondContact O-N 2.93Å; A650-N652 PolarHBondContact O-N 3.24Å; N652-G656 PolarHBondContact O-N 3.12Å; N652-N725 VanDerWaalsContact OD1-CB 3.29Å; N652-N725 WeakPolarHBondContact OD1-CB 3.32Å; N652-N725 PolarHBondContact OD1-ND2 3.21Å
653	G	98.8	Very high	98.8	Very high	2 Å²	2	13.1 Å²	13.1	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-65.4	-48.4	173.2	0	0	0	0	0	111.4	I649 I655 G656 Q657	I649-G653 PolarHBondContact O-N 3.48Å; G653-I655 PolarHBondContact O-N 2.93Å; G653-G656 PolarHBondContact O-N 3.48Å; G653-Q657 VanDerWaalsContact O-CD 3.22Å; G653-Q657 WeakPolarHBondContact O-CG 3.26Å; G653-Q657 PolarHBondContact O-N 2.76Å; G653-Q657 PolarHBondContact O-NE2 3.26Å
654	G	98.8	Very high	98.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.1	-46.7	-175.3	0	0	0	0	0	113.6	A650 G656 Q657 A658	A650-G654 WeakPolarHBondContact O-CA 3.15Å; A650-G654 PolarHBondContact O-N 3.06Å; G654-G656 VanDerWaalsContact C-N 3.32Å; G654-G656 PolarHBondContact O-N 2.88Å; G654-Q657 PolarHBondContact O-N 3.08Å; G654-A658 VanDerWaalsContact O-CB 3.28Å; G654-A658 WeakPolarHBondContact O-CB 3.44Å; G654-A658 PolarHBondContact O-N 2.93Å
655	I	98.8	Very high	98.8	Very high	6 Å²	6	17 Å²	17	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	-64.1	-38.5	177.1	-163.6	62.3	0	0	0	111.9	M580 D651 G653 A658 Y659 F686 F687 F690 T722	M580-I655 HydrophobicContact CB-CD1 4.02Å; M580-I655 HydrophobicContact CG-CB 4.11Å; M580-I655 HydrophobicContact CG-CD1 3.86Å; D651-I655 PolarHBondContact O-N 3.39Å; G653-I655 PolarHBondContact O-N 2.93Å; I655-A658 PolarHBondContact O-N 3.07Å; I655-Y659 WeakPolarHBondContact O-CB 3.44Å; I655-Y659 PolarHBondContact O-N 3.01Å; I655-F686 HydrophobicContact CD1-CD1 4.5Å; I655-F686 HydrophobicContact CD1-CE1 3.42Å; I655-F686 VanDerWaalsContact CD1-CE1 3.42Å; I655-F686 HydrophobicContact CD1-CZ 3.57Å; I655-F686 HydrophobicContact CG1-CE1 3.97Å; I655-F686 HydrophobicContact CG1-CZ 4.29Å; I655-F687 HydrophobicContact CG1-CE1 4.38Å; I655-F690 HydrophobicContact CD1-CB 3.77Å; I655-F690 HydrophobicContact CD1-CD1 4.21Å; I655-F690 HydrophobicContact CD1-CD2 3.61Å; I655-F690 HydrophobicContact CD1-CE2 4.25Å; I655-F690 HydrophobicContact CD1-CG 3.56Å; I655-F690 HydrophobicContact CG1-CD2 4.42Å; I655-F690 HydrophobicContact CG1-CG 4.39Å; I655-T722 HydrophobicContact CB-CG2 4.05Å; I655-T722 HydrophobicContact CG2-CG2 3.4Å; I655-T722 VanDerWaalsContact CG2-CG2 3.4Å
656	G	98.7	Very high	98.8	Very high	19 Å²	19	17.6 Å²	17.6	20%	0.196	9%	0.091	C	C	.	.	H	α-helix	trans	-70.9	-36.4	-178	0	0	0	0	0	112.4	N652 G653 G654 R660	N652-G656 PolarHBondContact O-N 3.12Å; G653-G656 PolarHBondContact O-N 3.48Å; G654-G656 VanDerWaalsContact C-N 3.32Å; G654-G656 PolarHBondContact O-N 2.88Å; G656-R660 WeakPolarHBondContact O-CG 3.34Å; G656-R660 PolarHBondContact O-N 3.41Å; G656-R660 PolarHBondContact O-NE 2.84Å; G656-R660 VanDerWaalsContact O-NE 3.1Å
657	Q	98.9	Very high	98.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.5	-47.6	173	-66.4	154.1	29	0	0	110.7	I447 V450 G583 T587 G653 G654 Y659 R660 A661	I447-Q657 HydrophobicContact CG2-CB 4.13Å; V450-Q657 HydrophobicContact CG1-CB 4.27Å; V450-Q657 WeakPolarHBondContact CG1-O 3.22Å; G583-Q657 VanDerWaalsContact CA-OE1 3.29Å; G583-Q657 PolarHBondContact O-OE1 2.99Å; T587-Q657 PolarHBondContact OG1-NE2 2.91Å; T587-Q657 PolarHBondContact OG1-OE1 3.38Å; G653-Q657 VanDerWaalsContact O-CD 3.22Å; G653-Q657 WeakPolarHBondContact O-CG 3.26Å; G653-Q657 PolarHBondContact O-N 2.76Å; G653-Q657 PolarHBondContact O-NE2 3.26Å; G654-Q657 PolarHBondContact O-N 3.08Å; Q657-Y659 VanDerWaalsContact C-N 3.33Å; Q657-Y659 PolarHBondContact O-N 3.25Å; Q657-R660 PolarHBondContact O-N 3.29Å; Q657-A661 WeakPolarHBondContact O-CB 3.09Å; Q657-A661 PolarHBondContact O-N 3.39Å
658	A	98.9	Very high	98.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-39.3	179.2	0	0	0	0	0	112.8	Y575 G579 M580 G654 I655 A661 Y662 F686	Y575-A658 WeakPolarHBondContact O-CB 3.45Å; G579-A658 VanDerWaalsContact C-CB 3.48Å; M580-A658 HydrophobicContact CB-CB 4.28Å; G654-A658 VanDerWaalsContact O-CB 3.28Å; G654-A658 WeakPolarHBondContact O-CB 3.44Å; G654-A658 PolarHBondContact O-N 2.93Å; I655-A658 PolarHBondContact O-N 3.07Å; A658-A661 PolarHBondContact O-N 3.29Å; A658-Y662 WeakPolarHBondContact O-CB 3.38Å; A658-Y662 PolarHBondContact O-N 2.74Å; A658-F686 HydrophobicContact CB-CE2 4.16Å; A658-F686 HydrophobicContact CB-CZ 4.04Å
659	Y	98.9	Very high	98.7	Very high	12 Å²	12	37.6 Å²	37.6	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-66.8	-43	177.1	-173.5	-104.6	0	0	0	111.9	I655 Q657 A661 Y662 Q663 K683 F686 F687 E728	I655-Y659 WeakPolarHBondContact O-CB 3.44Å; I655-Y659 PolarHBondContact O-N 3.01Å; Q657-Y659 VanDerWaalsContact C-N 3.33Å; Q657-Y659 PolarHBondContact O-N 3.25Å; Y659-A661 VanDerWaalsContact C-N 3.35Å; Y659-A661 PolarHBondContact O-N 2.68Å; Y659-Y662 WeakPolarHBondContact O-CB 3.5Å; Y659-Y662 PolarHBondContact O-N 3.36Å; Y659-Q663 HydrophobicContact CD1-CG 4.18Å; Y659-Q663 HydrophobicContact CE1-CG 3.89Å; Y659-Q663 WeakPolarHBondContact O-CG 3.19Å; Y659-Q663 PolarHBondContact O-N 3.06Å; Y659-K683 HydrophobicContact CE2-CB 4.4Å; Y659-K683 HydrophobicContact CE2-CG 4.46Å; Y659-F686 AromaticContact CD2-CD1 3.6Å; Y659-F686 HydrophobicContact CD2-CD1 3.6Å; Y659-F686 HydrophobicContact CD2-CD2 4.39Å; Y659-F686 AromaticContact CD2-CE1 3.65Å; Y659-F686 HydrophobicContact CD2-CE1 3.65Å; Y659-F686 HydrophobicContact CD2-CE2 4.4Å; Y659-F686 HydrophobicContact CD2-CG 4.02Å; Y659-F686 HydrophobicContact CD2-CZ 4.07Å; Y659-F686 HydrophobicContact CE2-CD1 4.32Å; Y659-F686 HydrophobicContact CG-CE1 4.16Å; Y659-F686 HydrophobicContact CG-CZ 4.36Å; Y659-F687 HydrophobicContact CD2-CE2 4.08Å; Y659-F687 AromaticContact CD2-CZ 3.79Å; Y659-F687 HydrophobicContact CD2-CZ 3.79Å; Y659-F687 AromaticContact CE2-CE2 3.73Å; Y659-F687 HydrophobicContact CE2-CE2 3.73Å; Y659-F687 AromaticContact CE2-CZ 3.87Å; Y659-F687 HydrophobicContact CE2-CZ 3.87Å; Y659-F687 HydrophobicContact CG-CZ 4.22Å; Y659-E728 HydrophobicContact CD1-CB 3.8Å; Y659-E728 HydrophobicContact CD1-CG 3.74Å; Y659-E728 HydrophobicContact CE1-CB 3.4Å; Y659-E728 HydrophobicContact CE1-CG 3.51Å
660	R	98.9	Very high	98.6	Very high	50 Å²	50	39.1 Å²	39.1	19%	0.189	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-39.8	174.9	-80.7	-179.4	-82.6	-171.1	1.5	112	V450 T454 G656 Q657 Y662 Q663 N664	V450-R660 HydrophobicContact CG1-CB 3.64Å; T454-R660 PolarHBondContact OG1-NH1 2.69Å; T454-R660 PolarHBondContact OG1-NH2 3.12Å; G656-R660 WeakPolarHBondContact O-CG 3.34Å; G656-R660 PolarHBondContact O-N 3.41Å; G656-R660 PolarHBondContact O-NE 2.84Å; G656-R660 VanDerWaalsContact O-NE 3.1Å; Q657-R660 PolarHBondContact O-N 3.29Å; R660-Y662 VanDerWaalsContact C-N 3.35Å; R660-Q663 PolarHBondContact O-N 2.98Å; R660-N664 PolarHBondContact O-N 2.92Å
661	A	98.8	Very high	98.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-42.4	173	0	0	0	0	0	111.6	I447 V450 Y575 Q657 A658 Y659 Q663 N664 Y665	I447-A661 HydrophobicContact CG1-CB 3.99Å; V450-A661 HydrophobicContact CG2-CB 3.95Å; Y575-A661 HydrophobicContact CD1-CB 3.89Å; Y575-A661 HydrophobicContact CE1-CB 3.64Å; Q657-A661 WeakPolarHBondContact O-CB 3.09Å; Q657-A661 PolarHBondContact O-N 3.39Å; A658-A661 PolarHBondContact O-N 3.29Å; Y659-A661 VanDerWaalsContact C-N 3.35Å; Y659-A661 PolarHBondContact O-N 2.68Å; A661-Q663 PolarHBondContact O-N 3.17Å; A661-N664 WeakPolarHBondContact O-CB 3.45Å; A661-N664 PolarHBondContact O-N 2.7Å; A661-Y665 PolarHBondContact O-N 2.91Å
662	Y	98.9	Very high	98.4	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-40.9	173.6	178.1	-114	0	0	0	112.6	N571 Y575 A658 Y659 R660 N664 Y665 V666 H682 F686	N571-Y662 HydrophobicContact CB-CE2 4.47Å; Y575-Y662 AromaticContact CD2-CD2 3.62Å; Y575-Y662 HydrophobicContact CD2-CD2 3.62Å; Y575-Y662 HydrophobicContact CD2-CG 4.26Å; Y575-Y662 HydrophobicContact CE2-CD2 4.18Å; Y575-Y662 HydrophobicContact CG-CD2 4.22Å; Y575-Y662 HydrophobicContact CG-CG 4.44Å; A658-Y662 WeakPolarHBondContact O-CB 3.38Å; A658-Y662 PolarHBondContact O-N 2.74Å; Y659-Y662 WeakPolarHBondContact O-CB 3.5Å; Y659-Y662 PolarHBondContact O-N 3.36Å; R660-Y662 VanDerWaalsContact C-N 3.35Å; Y662-N664 VanDerWaalsContact C-N 3.33Å; Y662-N664 PolarHBondContact O-N 3.23Å; Y662-Y665 HydrophobicContact CD2-CD1 4.39Å; Y662-Y665 HydrophobicContact CE2-CD1 4.26Å; Y662-Y665 WeakPolarHBondContact O-CB 3.31Å; Y662-Y665 PolarHBondContact O-N 3.47Å; Y662-V666 HydrophobicContact CD2-CG2 4.38Å; Y662-V666 HydrophobicContact CE1-CG2 3.93Å; Y662-V666 HydrophobicContact CE2-CG2 3.78Å; Y662-V666 VanDerWaalsContact CZ-CG2 3.48Å; Y662-V666 WeakPolarHBondContact O-CG2 3.17Å; Y662-V666 PolarHBondContact O-N 3.49Å; Y662-V666 WeakPolarHBondContact OH-CG2 3.43Å; Y662-H682 WeakPolarHBondContact OH-CB 3.37Å; Y662-F686 HydrophobicContact CD1-CD2 4.45Å; Y662-F686 HydrophobicContact CG-CD2 4.41Å
663	Q	98.8	Very high	98.3	Very high	76 Å²	76	50.4 Å²	50.4	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-62.5	-39.9	174.3	-70.7	-179.7	-55.1	0	0	112.1	Y659 R660 A661 Y665 V666 K667	Y659-Q663 HydrophobicContact CD1-CG 4.18Å; Y659-Q663 HydrophobicContact CE1-CG 3.89Å; Y659-Q663 WeakPolarHBondContact O-CG 3.19Å; Y659-Q663 PolarHBondContact O-N 3.06Å; R660-Q663 PolarHBondContact O-N 2.98Å; A661-Q663 PolarHBondContact O-N 3.17Å; Q663-Y665 VanDerWaalsContact C-N 3.35Å; Q663-V666 PolarHBondContact O-N 3.02Å; Q663-K667 WeakPolarHBondContact O-CB 3.4Å; Q663-K667 PolarHBondContact O-N 3.2Å
664	N	98.6	Very high	98.3	Very high	70 Å²	70	54.1 Å²	54.1	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-41.4	173.9	-72.9	-14.1	0	0	0	111.5	R660 A661 Y662 K667 K668	R660-N664 PolarHBondContact O-N 2.92Å; A661-N664 WeakPolarHBondContact O-CB 3.45Å; A661-N664 PolarHBondContact O-N 2.7Å; Y662-N664 VanDerWaalsContact C-N 3.33Å; Y662-N664 PolarHBondContact O-N 3.23Å; N664-K667 PolarHBondContact O-N 2.86Å; N664-K668 WeakPolarHBondContact O-CB 3.42Å; N664-K668 PolarHBondContact O-N 2.85Å
665	Y	98.6	Very high	98.3	Very high	52 Å²	52	54.3 Å²	54.3	20%	0.204	27%	0.266	C	S	.	.	H	α-helix	trans	-57.6	-50.2	173.1	172	-88.4	0	0	0	111.6	N571 Y575 A661 Y662 Q663 K667 K668 N669 E672	N571-Y665 HydrophobicContact CB-CD1 4.24Å; N571-Y665 HydrophobicContact CB-CE1 3.9Å; N571-Y665 VanDerWaalsContact ND2-CZ 3.32Å; N571-Y665 PolarHBondContact ND2-OH 3.49Å; Y575-Y665 HydrophobicContact CE2-CD2 4.32Å; Y575-Y665 HydrophobicContact CE2-CG 4.05Å; A661-Y665 PolarHBondContact O-N 2.91Å; Y662-Y665 HydrophobicContact CD2-CD1 4.39Å; Y662-Y665 HydrophobicContact CE2-CD1 4.26Å; Y662-Y665 WeakPolarHBondContact O-CB 3.31Å; Y662-Y665 PolarHBondContact O-N 3.47Å; Q663-Y665 VanDerWaalsContact C-N 3.35Å; Y665-K667 PolarHBondContact O-N 3Å; Y665-K668 PolarHBondContact O-N 2.99Å; Y665-N669 WeakPolarHBondContact CD2-ND2 3.19Å; Y665-N669 HydrophobicContact CE1-CB 4.4Å; Y665-N669 HydrophobicContact CE2-CB 4.3Å; Y665-N669 VanDerWaalsContact CE2-ND2 3.27Å; Y665-N669 WeakPolarHBondContact CE2-ND2 3.48Å; Y665-N669 WeakPolarHBondContact O-CB 3.47Å; Y665-N669 PolarHBondContact O-N 2.9Å; Y665-N669 PolarHBondContact O-ND2 3Å; Y665-E672 HydrophobicContact CE1-CG 4.08Å
666	V	98.4	Very high	98.2	Very high	22 Å²	22	55.6 Å²	55.6	13%	0.133	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-41	178.7	173.4	0	0	0	0	111.4	Y662 Q663 K668 N669 G670 E671	Y662-V666 HydrophobicContact CD2-CG2 4.38Å; Y662-V666 HydrophobicContact CE1-CG2 3.93Å; Y662-V666 HydrophobicContact CE2-CG2 3.78Å; Y662-V666 VanDerWaalsContact CZ-CG2 3.48Å; Y662-V666 WeakPolarHBondContact O-CG2 3.17Å; Y662-V666 PolarHBondContact O-N 3.49Å; Y662-V666 WeakPolarHBondContact OH-CG2 3.43Å; Q663-V666 PolarHBondContact O-N 3.02Å; V666-K668 PolarHBondContact O-N 3.41Å; V666-N669 PolarHBondContact O-N 3.38Å; V666-G670 CarbonylContact O-C 3.51Å; V666-G670 VanDerWaalsContact O-CA 3.26Å; V666-G670 WeakPolarHBondContact O-CA 3.04Å; V666-G670 PolarHBondContact O-N 3.05Å; V666-E671 HydrophobicContact CG1-CG 4.18Å
667	K	98.3	Very high	98	Very high	185 Å²	185	58.1 Å²	58.1	80%	0.804	30%	0.301	S	S	*	.	H	α-helix	trans	-60.2	-34.8	176.7	-176.1	179.6	178	-176.5	0	112.2	Q663 N664 Y665	Q663-K667 WeakPolarHBondContact O-CB 3.4Å; Q663-K667 PolarHBondContact O-N 3.2Å; N664-K667 PolarHBondContact O-N 2.86Å; Y665-K667 PolarHBondContact O-N 3Å
668	K	98.1	Very high	97.9	Very high	178 Å²	178	58.9 Å²	58.9	77%	0.774	31%	0.305	S	S	*	.	H	α-helix	trans	-83.5	-41.3	-179.6	-175.9	179.3	177.4	-177	0	112.9	N664 Y665 V666	N664-K668 WeakPolarHBondContact O-CB 3.42Å; N664-K668 PolarHBondContact O-N 2.85Å; Y665-K668 PolarHBondContact O-N 2.99Å; V666-K668 PolarHBondContact O-N 3.41Å
669	N	97.8	Very high	97.7	Very high	92 Å²	92	67 Å²	67	49%	0.492	35%	0.348	S	S	.	.	H	α-helix	trans	-110.2	-8.4	-166.9	-57.5	-66.5	0	0	0	114.2	Y665 V666	Y665-N669 WeakPolarHBondContact CD2-ND2 3.19Å; Y665-N669 HydrophobicContact CE1-CB 4.4Å; Y665-N669 HydrophobicContact CE2-CB 4.3Å; Y665-N669 VanDerWaalsContact CE2-ND2 3.27Å; Y665-N669 WeakPolarHBondContact CE2-ND2 3.48Å; Y665-N669 WeakPolarHBondContact O-CB 3.47Å; Y665-N669 PolarHBondContact O-N 2.9Å; Y665-N669 PolarHBondContact O-ND2 3Å; V666-N669 PolarHBondContact O-N 3.38Å
670	G	97.5	Very high	97.7	Very high	35 Å²	35	67.3 Å²	67.3	36%	0.361	35%	0.35	S	S	.	.			trans	85.1	175.1	-171.5	0	0	0	0	0	113	V666	V666-G670 CarbonylContact O-C 3.51Å; V666-G670 VanDerWaalsContact O-CA 3.26Å; V666-G670 WeakPolarHBondContact O-CA 3.04Å; V666-G670 PolarHBondContact O-N 3.05Å
671	E	96.1	Very high	97.7	Very high	125 Å²	125	68 Å²	68	58%	0.584	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-70	143.8	177	-68.5	-71.6	174.6	0	0	111.3	V666	V666-E671 HydrophobicContact CG1-CG 4.18Å
672	E	97.4	Very high	97.7	Very high	34 Å²	34	68.1 Å²	68.1	16%	0.159	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-77.6	159	176	-57.2	-171.9	92.1	0	0	111.7	N571 S572 Y665 H682	N571-E672 WeakPolarHBondContact CB-OE1 3.34Å; N571-E672 WeakPolarHBondContact CB-OE2 3.36Å; N571-E672 PolarHBondContact N-OE1 2.96Å; N571-E672 PolarHBondContact N-OE2 3.28Å; N571-E672 VanDerWaalsContact N-OE2 3.16Å; N571-E672 PolarHBondContact ND2-OE1 3.39Å; S572-E672 PolarHBondContact N-OE2 2.84Å; Y665-E672 HydrophobicContact CE1-CG 4.08Å; E672-H682 IonicContact OE2-ND1 3.1Å
673	K	97.4	Very high	97.7	Very high	98 Å²	98	72 Å²	72	43%	0.426	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-68.4	132.6	170.8	-67.9	-167.9	178.1	-151.1	0	110.6	D53 G55 C57 H682	D53-K673 IonicContact OD1-NZ 2.72Å; D53-K673 PolarHBondContact OD1-NZ 3.12Å; D53-K673 WeakPolarHBondContact OD2-CE 3.46Å; D53-K673 IonicContact OD2-NZ 2.74Å; D53-K673 PolarHBondContact OD2-NZ 3.36Å; G55-K673 CarbonylContact O-C 2.97Å; G55-K673 WeakPolarHBondContact O-CA 3.18Å; G55-K673 WeakPolarHBondContact O-CB 3.38Å; C57-K673 HydrophobicContact CB-CB 4.08Å; K673-H682 VanDerWaalsContact C-NE2 3.32Å; K673-H682 PolarHBondContact O-NE2 3.35Å
674	L	98.1	Very high	97.7	Very high	80 Å²	80	69.6 Å²	69.6	42%	0.419	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-60.2	151.8	-178.2	-62.9	176.1	0	0	0	112.3	G55 I56 C57	G55-L674 PolarHBondContact O-N 3.06Å; I56-L674 CarbonylContact C-O 3.44Å; I56-L674 WeakPolarHBondContact CA-O 3.33Å; C57-L674 PolarHBondContact N-O 3.17Å
675	L	98	Very high	97.7	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.021	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-78.1	144.2	174.3	-71.3	-175.3	0	0	0	111.7	C62 A66 L69 L573 I678 L685	C62-L675 HydrophobicContact CB-CD2 3.74Å; A66-L675 HydrophobicContact CB-CB 4.27Å; L69-L675 HydrophobicContact CD1-CD1 3.56Å; L573-L675 HydrophobicContact CD1-CD1 4.29Å; L675-I678 HydrophobicContact CB-CG2 3.65Å; L675-L685 HydrophobicContact CB-CD1 4.25Å; L675-L685 HydrophobicContact CD1-CD1 3.82Å; L675-L685 HydrophobicContact CD1-CD2 4.41Å; L675-L685 HydrophobicContact CG-CD1 3.94Å
676	P	97	Very high	97.7	Very high	32 Å²	32	63.8 Å²	63.8	21%	0.208	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	142	-178.7	29.6	-32.9	0	0	0	111.5	I56 C57 I63 A66 I678	I56-P676 HydrophobicContact CG2-CB 3.73Å; I56-P676 HydrophobicContact CG2-CG 4.49Å; C57-P676 VanDerWaalsContact O-CD 3.32Å; C57-P676 WeakPolarHBondContact O-CD 3.47Å; I63-P676 HydrophobicContact CG1-CG 4.05Å; A66-P676 HydrophobicContact CB-CG 4.25Å; A66-P676 WeakPolarHBondContact CB-O 3.3Å; P676-I678 VanDerWaalsContact C-N 3.27Å; P676-I678 PolarHBondContact O-N 3.2Å
677	G	95.8	Very high	97.7	Very high	73 Å²	73	62.8 Å²	62.8	75%	0.753	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	9.9	171.6	0	0	0	0	0	115.4	I70	I70-G677 WeakPolarHBondContact CD1-O 3.47Å
678	I	95	Very high	97.8	Very high	15 Å²	15	54 Å²	54	8%	0.077	29%	0.292	C	S	.	.			trans	-132.9	121	176.4	-169.5	164.1	0	0	0	109.9	L69 I70 M73 L675 P676 L680 L685 L688	L69-I678 HydrophobicContact CB-CD1 4.15Å; I70-I678 HydrophobicContact CD1-CB 4.34Å; I70-I678 HydrophobicContact CG1-CB 4.18Å; I70-I678 HydrophobicContact CG1-CD1 4.33Å; M73-I678 HydrophobicContact SD-CD1 3.97Å; L675-I678 HydrophobicContact CB-CG2 3.65Å; P676-I678 VanDerWaalsContact C-N 3.27Å; P676-I678 PolarHBondContact O-N 3.2Å; I678-L680 HydrophobicContact CD1-CD1 3.77Å; I678-L680 HydrophobicContact CD1-CG 4.3Å; I678-L680 HydrophobicContact CG1-CB 4.15Å; I678-L680 HydrophobicContact CG1-CD1 3.95Å; I678-L680 HydrophobicContact CG1-CG 3.9Å; I678-L680 PolarHBondContact O-N 2.93Å; I678-L685 HydrophobicContact CD1-CD2 3.89Å; I678-L685 HydrophobicContact CG2-CD2 4.3Å; I678-L688 HydrophobicContact CD1-CD2 3.9Å
679	D	95.9	Very high	97.8	Very high	170 Å²	170	45.5 Å²	45.5	91%	0.909	26%	0.255	S	S	*	.			trans	-84.9	54.5	-178.3	-63.1	-35	0	0	0	111.2
680	L	98.3	Very high	97.8	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.099	23%	0.232	C	C	.	.			trans	-129	139.2	178.5	-65.1	-179.7	0	0	0	111	I678 Q684 L685 L688 F733	I678-L680 HydrophobicContact CD1-CD1 3.77Å; I678-L680 HydrophobicContact CD1-CG 4.3Å; I678-L680 HydrophobicContact CG1-CB 4.15Å; I678-L680 HydrophobicContact CG1-CD1 3.95Å; I678-L680 HydrophobicContact CG1-CG 3.9Å; I678-L680 PolarHBondContact O-N 2.93Å; L680-Q684 HydrophobicContact CB-CB 4.07Å; L680-Q684 HydrophobicContact CD2-CB 4.09Å; L680-Q684 HydrophobicContact CD2-CG 4.47Å; L680-Q684 HydrophobicContact CG-CB 4.45Å; L680-L685 HydrophobicContact CB-CD2 3.93Å; L680-L685 HydrophobicContact CB-CG 4.14Å; L680-L685 HydrophobicContact CD1-CD2 4.17Å; L680-L688 HydrophobicContact CD1-CD2 3.64Å; L680-F733 HydrophobicContact CD2-CE1 4.46Å
681	N	98.5	Very high	97.9	Very high	66 Å²	66	39.5 Å²	39.5	35%	0.353	22%	0.215	S	C	.	.			trans	-78.2	167.7	171	69.4	53.7	0	0	0	111.4	K683 Q684 L685	N681-K683 VanDerWaalsContact C-N 3.31Å; N681-K683 PolarHBondContact O-N 3.25Å; N681-K683 WeakPolarHBondContact OD1-CA 3.22Å; N681-K683 WeakPolarHBondContact OD1-CB 3.49Å; N681-K683 PolarHBondContact OD1-N 3.3Å; N681-Q684 PolarHBondContact ND2-OE1 3.01Å; N681-Q684 WeakPolarHBondContact O-CB 3.45Å; N681-Q684 PolarHBondContact O-N 2.61Å; N681-Q684 VanDerWaalsContact O-N 3.07Å; N681-Q684 PolarHBondContact OD1-N 2.8Å; N681-L685 WeakPolarHBondContact O-CG 3.4Å; N681-L685 PolarHBondContact O-N 3.41Å
682	H	98.7	Very high	98	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-25.8	-175.5	-79.3	-76.8	0	0	0	115.3	S572 Y662 E672 K673 Q684 L685 F686	S572-H682 WeakPolarHBondContact CB-O 3.37Å; S572-H682 PolarHBondContact OG-ND1 2.8Å; Y662-H682 WeakPolarHBondContact OH-CB 3.37Å; E672-H682 IonicContact OE2-ND1 3.1Å; K673-H682 VanDerWaalsContact C-NE2 3.32Å; K673-H682 PolarHBondContact O-NE2 3.35Å; H682-Q684 VanDerWaalsContact C-N 3.34Å; H682-L685 PolarHBondContact O-N 3.01Å; H682-F686 PolarHBondContact O-N 3.42Å
683	K	98.8	Very high	98.1	Very high	83 Å²	83	32 Å²	32	36%	0.361	18%	0.18	S	C	.	.	H	α-helix	trans	-66.6	-39.1	172.2	-63.7	174.8	178.8	175.3	0	110.9	Y659 N681 F686 F687 A732	Y659-K683 HydrophobicContact CE2-CB 4.4Å; Y659-K683 HydrophobicContact CE2-CG 4.46Å; N681-K683 VanDerWaalsContact C-N 3.31Å; N681-K683 PolarHBondContact O-N 3.25Å; N681-K683 WeakPolarHBondContact OD1-CA 3.22Å; N681-K683 WeakPolarHBondContact OD1-CB 3.49Å; N681-K683 PolarHBondContact OD1-N 3.3Å; K683-F686 WeakPolarHBondContact O-CB 3.41Å; K683-F687 WeakPolarHBondContact O-CD2 3.5Å; K683-A732 HydrophobicContact CB-CB 4.24Å
684	Q	98.9	Very high	98.2	Very high	26 Å²	26	28.9 Å²	28.9	12%	0.121	17%	0.165	C	C	.	.	H	α-helix	trans	-69.1	-40.6	174	-67.4	169.2	-37.9	0	0	111.5	L680 N681 H682 F686 F687 L688 A732 F733	L680-Q684 HydrophobicContact CB-CB 4.07Å; L680-Q684 HydrophobicContact CD2-CB 4.09Å; L680-Q684 HydrophobicContact CD2-CG 4.47Å; L680-Q684 HydrophobicContact CG-CB 4.45Å; N681-Q684 PolarHBondContact ND2-OE1 3.01Å; N681-Q684 WeakPolarHBondContact O-CB 3.45Å; N681-Q684 PolarHBondContact O-N 2.61Å; N681-Q684 VanDerWaalsContact O-N 3.07Å; N681-Q684 PolarHBondContact OD1-N 2.8Å; H682-Q684 VanDerWaalsContact C-N 3.34Å; Q684-F686 VanDerWaalsContact C-N 3.28Å; Q684-F686 PolarHBondContact O-N 3.32Å; Q684-F687 PolarHBondContact O-N 3.38Å; Q684-L688 WeakPolarHBondContact O-CB 3.46Å; Q684-L688 PolarHBondContact O-N 3.4Å; Q684-A732 HydrophobicContact CG-CB 4.33Å; Q684-A732 WeakPolarHBondContact CG-O 3.34Å; Q684-A732 PolarHBondContact NE2-O 2.52Å; Q684-F733 HydrophobicContact CB-CE1 4.1Å; Q684-F733 HydrophobicContact CB-CE2 4.02Å; Q684-F733 HydrophobicContact CB-CZ 3.6Å; Q684-F733 HydrophobicContact CG-CD1 4.37Å; Q684-F733 HydrophobicContact CG-CD2 4.36Å; Q684-F733 HydrophobicContact CG-CE1 4.03Å; Q684-F733 HydrophobicContact CG-CE2 4Å; Q684-F733 HydrophobicContact CG-CZ 3.83Å
685	L	98.9	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-32.2	176.9	-66.9	175.4	0	0	0	113	L69 L573 L675 I678 L680 N681 H682 L688 N689	L69-L685 HydrophobicContact CD1-CD2 4.09Å; L573-L685 HydrophobicContact CD2-CB 4.19Å; L675-L685 HydrophobicContact CB-CD1 4.25Å; L675-L685 HydrophobicContact CD1-CD1 3.82Å; L675-L685 HydrophobicContact CD1-CD2 4.41Å; L675-L685 HydrophobicContact CG-CD1 3.94Å; I678-L685 HydrophobicContact CD1-CD2 3.89Å; I678-L685 HydrophobicContact CG2-CD2 4.3Å; L680-L685 HydrophobicContact CB-CD2 3.93Å; L680-L685 HydrophobicContact CB-CG 4.14Å; L680-L685 HydrophobicContact CD1-CD2 4.17Å; N681-L685 WeakPolarHBondContact O-CG 3.4Å; N681-L685 PolarHBondContact O-N 3.41Å; H682-L685 PolarHBondContact O-N 3.01Å; L685-L688 HydrophobicContact CD2-CD2 4.38Å; L685-L688 PolarHBondContact O-N 3.18Å; L685-N689 WeakPolarHBondContact O-CB 3.2Å; L685-N689 PolarHBondContact O-N 3.49Å
686	F	98.9	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.8	-55.3	172.1	170.7	-83.7	0	0	0	111.2	S572 Y575 G576 I655 A658 Y659 Y662 H682 K683 Q684 L688 N689 F690	S572-F686 WeakPolarHBondContact O-CA 3.26Å; Y575-F686 VanDerWaalsContact C-CE2 3.44Å; 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-CD1 4.5Å; I655-F686 HydrophobicContact CD1-CE1 3.42Å; I655-F686 VanDerWaalsContact CD1-CE1 3.42Å; I655-F686 HydrophobicContact CD1-CZ 3.57Å; I655-F686 HydrophobicContact CG1-CE1 3.97Å; I655-F686 HydrophobicContact CG1-CZ 4.29Å; A658-F686 HydrophobicContact CB-CE2 4.16Å; A658-F686 HydrophobicContact CB-CZ 4.04Å; Y659-F686 AromaticContact CD2-CD1 3.6Å; Y659-F686 HydrophobicContact CD2-CD1 3.6Å; Y659-F686 HydrophobicContact CD2-CD2 4.39Å; Y659-F686 AromaticContact CD2-CE1 3.65Å; Y659-F686 HydrophobicContact CD2-CE1 3.65Å; Y659-F686 HydrophobicContact CD2-CE2 4.4Å; Y659-F686 HydrophobicContact CD2-CG 4.02Å; Y659-F686 HydrophobicContact CD2-CZ 4.07Å; Y659-F686 HydrophobicContact CE2-CD1 4.32Å; Y659-F686 HydrophobicContact CG-CE1 4.16Å; Y659-F686 HydrophobicContact CG-CZ 4.36Å; Y662-F686 HydrophobicContact CD1-CD2 4.45Å; Y662-F686 HydrophobicContact CG-CD2 4.41Å; H682-F686 PolarHBondContact O-N 3.42Å; K683-F686 WeakPolarHBondContact O-CB 3.41Å; Q684-F686 VanDerWaalsContact C-N 3.28Å; Q684-F686 PolarHBondContact O-N 3.32Å; F686-L688 VanDerWaalsContact C-N 3.34Å; F686-L688 PolarHBondContact O-N 3.3Å; F686-N689 PolarHBondContact O-N 3.01Å; F686-F690 PolarHBondContact O-N 2.94Å
687	F	98.9	Very high	98.3	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-69.2	-33.3	-179.5	-66.1	-66.5	0	0	0	112.3	F83 I655 Y659 K683 Q684 F690 A691 L723 E728 F729 A732 F733	F83-F687 HydrophobicContact CE1-CB 4.37Å; F83-F687 WeakPolarHBondContact CE1-O 3.48Å; F83-F687 HydrophobicContact CZ-CB 4.27Å; I655-F687 HydrophobicContact CG1-CE1 4.38Å; Y659-F687 HydrophobicContact CD2-CE2 4.08Å; Y659-F687 AromaticContact CD2-CZ 3.79Å; Y659-F687 HydrophobicContact CD2-CZ 3.79Å; Y659-F687 AromaticContact CE2-CE2 3.73Å; Y659-F687 HydrophobicContact CE2-CE2 3.73Å; Y659-F687 AromaticContact CE2-CZ 3.87Å; Y659-F687 HydrophobicContact CE2-CZ 3.87Å; Y659-F687 HydrophobicContact CG-CZ 4.22Å; K683-F687 WeakPolarHBondContact O-CD2 3.5Å; Q684-F687 PolarHBondContact O-N 3.38Å; F687-F690 PolarHBondContact O-N 3.47Å; F687-A691 WeakPolarHBondContact O-CB 3.46Å; F687-A691 PolarHBondContact O-N 3.26Å; F687-L723 HydrophobicContact CD1-CD2 3.56Å; F687-L723 HydrophobicContact CE1-CD2 4.08Å; F687-L723 HydrophobicContact CG-CD2 4.44Å; F687-E728 HydrophobicContact CZ-CB 4.1Å; F687-F729 HydrophobicContact CB-CD2 3.98Å; F687-F729 HydrophobicContact CB-CE2 4.49Å; F687-F729 HydrophobicContact CD1-CB 4.16Å; F687-F729 HydrophobicContact CD1-CD2 4.14Å; F687-F729 HydrophobicContact CD2-CB 4.39Å; F687-F729 HydrophobicContact CD2-CD2 4.12Å; F687-F729 HydrophobicContact CE1-CB 3.91Å; F687-F729 HydrophobicContact CE2-CB 4.16Å; F687-F729 HydrophobicContact CG-CB 4.4Å; F687-F729 AromaticContact CG-CD2 3.82Å; F687-F729 HydrophobicContact CG-CD2 3.82Å; F687-F729 HydrophobicContact CZ-CB 3.92Å; F687-A732 HydrophobicContact CD2-CB 4.18Å; F687-A732 HydrophobicContact CE2-CB 4.03Å; F687-F733 HydrophobicContact CB-CE2 4.03Å; F687-F733 HydrophobicContact CD2-CE2 4.28Å
688	L	98.9	Very high	98.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-42.3	174.3	-177	60.1	0	0	0	111.5	L69 M73 Y86 A87 I678 L680 Q684 L685 F686 A691 Q692	L69-L688 HydrophobicContact CB-CD2 4.38Å; L69-L688 HydrophobicContact CD2-CB 4.47Å; L69-L688 HydrophobicContact CD2-CD2 3.74Å; L69-L688 HydrophobicContact CD2-CG 3.75Å; M73-L688 HydrophobicContact CB-CD1 4.48Å; M73-L688 HydrophobicContact SD-CD2 4.26Å; Y86-L688 HydrophobicContact CD1-CD1 4.45Å; Y86-L688 HydrophobicContact CE1-CD1 4.16Å; A87-L688 HydrophobicContact CB-CD1 3.75Å; I678-L688 HydrophobicContact CD1-CD2 3.9Å; L680-L688 HydrophobicContact CD1-CD2 3.64Å; Q684-L688 WeakPolarHBondContact O-CB 3.46Å; Q684-L688 PolarHBondContact O-N 3.4Å; L685-L688 HydrophobicContact CD2-CD2 4.38Å; L685-L688 PolarHBondContact O-N 3.18Å; F686-L688 VanDerWaalsContact C-N 3.34Å; F686-L688 PolarHBondContact O-N 3.3Å; L688-A691 PolarHBondContact O-N 3.21Å; L688-Q692 HydrophobicContact CD1-CG 4.33Å; L688-Q692 WeakPolarHBondContact O-CB 3.28Å; L688-Q692 WeakPolarHBondContact O-CG 3.2Å; L688-Q692 PolarHBondContact O-N 3.33Å
689	N	98.9	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.3	-43.7	176.7	-162.1	63.2	0	0	0	111.8	R68 P563 L573 L685 F686 A691 Q692 V693	R68-N689 PolarHBondContact NH1-OD1 2.77Å; R68-N689 PolarHBondContact NH2-OD1 3.22Å; P563-N689 PolarHBondContact O-ND2 3.19Å; L573-N689 HydrophobicContact CB-CB 4.33Å; L573-N689 HydrophobicContact CD2-CB 3.73Å; L573-N689 PolarHBondContact O-ND2 3.33Å; L685-N689 WeakPolarHBondContact O-CB 3.2Å; L685-N689 PolarHBondContact O-N 3.49Å; F686-N689 PolarHBondContact O-N 3.01Å; N689-A691 VanDerWaalsContact C-N 3.33Å; N689-A691 PolarHBondContact O-N 2.99Å; N689-Q692 PolarHBondContact O-N 2.87Å; N689-Q692 VanDerWaalsContact O-N 3.16Å; N689-V693 PolarHBondContact O-N 3.23Å
690	F	98.9	Very high	98.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-52.7	-51.3	172.6	160.4	-104	0	0	0	111.1	G576 M580 I655 F686 F687 Q692 V693 W694 T722 L723	G576-F690 WeakPolarHBondContact O-CA 3.4Å; G576-F690 WeakPolarHBondContact O-CB 3.48Å; G576-F690 PolarHBondContact O-N 3.05Å; M580-F690 HydrophobicContact CE-CD2 4.31Å; M580-F690 HydrophobicContact CE-CE2 3.66Å; M580-F690 HydrophobicContact CG-CD2 3.86Å; M580-F690 HydrophobicContact CG-CE2 4.09Å; M580-F690 HydrophobicContact SD-CD2 3.91Å; M580-F690 HydrophobicContact SD-CE2 3.88Å; I655-F690 HydrophobicContact CD1-CB 3.77Å; I655-F690 HydrophobicContact CD1-CD1 4.21Å; I655-F690 HydrophobicContact CD1-CD2 3.61Å; I655-F690 HydrophobicContact CD1-CE2 4.25Å; I655-F690 HydrophobicContact CD1-CG 3.56Å; I655-F690 HydrophobicContact CG1-CD2 4.42Å; I655-F690 HydrophobicContact CG1-CG 4.39Å; F686-F690 PolarHBondContact O-N 2.94Å; F687-F690 PolarHBondContact O-N 3.47Å; F690-Q692 VanDerWaalsContact C-N 3.3Å; F690-Q692 PolarHBondContact O-N 2.87Å; F690-V693 WeakPolarHBondContact O-CB 3.35Å; F690-V693 PolarHBondContact O-N 3.44Å; F690-W694 AromaticContact CD2-NE1 3.85Å; F690-W694 AromaticContact CE2-CD1 3.93Å; F690-W694 AromaticContact CE2-NE1 3.37Å; F690-W694 AromaticContact CZ-NE1 3.96Å; F690-T722 HydrophobicContact CE1-CG2 4.29Å; F690-T722 HydrophobicContact CZ-CG2 3.82Å; F690-L723 HydrophobicContact CD1-CD1 4.22Å; F690-L723 HydrophobicContact CD1-CD2 3.9Å; F690-L723 HydrophobicContact CD1-CG 4.24Å; F690-L723 HydrophobicContact CE1-CD1 4.09Å; F690-L723 HydrophobicContact CE1-CD2 3.79Å; F690-L723 HydrophobicContact CE1-CG 3.81Å
691	A	98.9	Very high	98.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.5	-36.6	-179.6	0	0	0	0	0	112.2	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 3.48Å; A87-A691 VanDerWaalsContact CB-CB 3.48Å; F687-A691 WeakPolarHBondContact O-CB 3.46Å; F687-A691 PolarHBondContact O-N 3.26Å; L688-A691 PolarHBondContact O-N 3.21Å; N689-A691 VanDerWaalsContact C-N 3.33Å; N689-A691 PolarHBondContact O-N 2.99Å; A691-V693 VanDerWaalsContact C-N 3.31Å; A691-V693 PolarHBondContact O-N 2.89Å; A691-W694 PolarHBondContact O-N 3.47Å; A691-W694 VanDerWaalsContact O-N 3.11Å; A691-I719 HydrophobicContact CB-CD1 4.09Å; A691-I719 HydrophobicContact CB-CG1 4.15Å; A691-I719 HydrophobicContact CB-CG2 3.84Å; A691-I719 WeakPolarHBondContact O-CD1 3.3Å
692	Q	98.8	Very high	98.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.4	-25.2	179.5	-75.6	-170.8	6.3	0	0	114.2	L69 N72 A87 N106 L688 N689 F690 W694 C695	L69-Q692 PolarHBondContact O-NE2 3.3Å; N72-Q692 HydrophobicContact CB-CG 4.28Å; A87-Q692 HydrophobicContact CB-CG 4.45Å; A87-Q692 WeakPolarHBondContact O-CG 3.41Å; A87-Q692 PolarHBondContact O-NE2 3.12Å; N106-Q692 PolarHBondContact ND2-O 3.36Å; L688-Q692 HydrophobicContact CD1-CG 4.33Å; L688-Q692 WeakPolarHBondContact O-CB 3.28Å; L688-Q692 WeakPolarHBondContact O-CG 3.2Å; L688-Q692 PolarHBondContact O-N 3.33Å; N689-Q692 PolarHBondContact O-N 2.87Å; N689-Q692 VanDerWaalsContact O-N 3.16Å; F690-Q692 VanDerWaalsContact C-N 3.3Å; F690-Q692 PolarHBondContact O-N 2.87Å; Q692-W694 PolarHBondContact O-N 3.3Å; Q692-C695 VanDerWaalsContact CA-SG 3.57Å; Q692-C695 PolarHBondContact O-N 3.44Å
693	V	98.5	Very high	98.8	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-54.2	-35.9	169.7	162.8	0	0	0	0	111.1	F107 P563 F564 N689 F690 A691	F107-V693 HydrophobicContact CD2-CG1 4.45Å; F107-V693 HydrophobicContact CE2-CG1 3.5Å; F107-V693 HydrophobicContact CZ-CG1 4Å; P563-V693 HydrophobicContact CG-CG2 4.23Å; F564-V693 HydrophobicContact CD1-CG1 4.24Å; F564-V693 HydrophobicContact CD1-CG2 4Å; F564-V693 HydrophobicContact CE1-CB 4.26Å; F564-V693 HydrophobicContact CE1-CG1 3.35Å; F564-V693 HydrophobicContact CE1-CG2 3.89Å; F564-V693 HydrophobicContact CZ-CG1 3.84Å; N689-V693 PolarHBondContact O-N 3.23Å; F690-V693 WeakPolarHBondContact O-CB 3.35Å; F690-V693 PolarHBondContact O-N 3.44Å; A691-V693 VanDerWaalsContact C-N 3.31Å; A691-V693 PolarHBondContact O-N 2.89Å
694	W	98.6	Very high	98.8	Very high	31 Å²	31	17.6 Å²	17.6	12%	0.117	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	9	-175.1	-53	108.7	0	0	0	114.5	F107 M580 F690 A691 Q692 G696 R718 I719	F107-W694 HydrophobicContact CD2-CE3 4.43Å; F107-W694 HydrophobicContact CD2-CZ3 4.38Å; F107-W694 HydrophobicContact CE2-CD2 4.46Å; F107-W694 AromaticContact CE2-CE3 3.76Å; F107-W694 HydrophobicContact CE2-CE3 3.76Å; F107-W694 HydrophobicContact CE2-CH2 4.03Å; F107-W694 AromaticContact CE2-CZ3 3.51Å; F107-W694 HydrophobicContact CE2-CZ3 3.51Å; F107-W694 HydrophobicContact CZ-CH2 4.07Å; F107-W694 AromaticContact CZ-CZ3 3.93Å; F107-W694 HydrophobicContact CZ-CZ3 3.93Å; M580-W694 HydrophobicContact CE-CZ2 4.22Å; M580-W694 HydrophobicContact SD-CZ2 4.42Å; F690-W694 AromaticContact CD2-NE1 3.85Å; F690-W694 AromaticContact CE2-CD1 3.93Å; F690-W694 AromaticContact CE2-NE1 3.37Å; F690-W694 AromaticContact CZ-NE1 3.96Å; A691-W694 PolarHBondContact O-N 3.47Å; A691-W694 VanDerWaalsContact O-N 3.11Å; Q692-W694 PolarHBondContact O-N 3.3Å; W694-G696 PolarHBondContact O-N 3.29Å; W694-G696 VanDerWaalsContact O-N 3.12Å; W694-R718 VanDerWaalsContact CH2-NH1 3.3Å; W694-I719 HydrophobicContact CB-CD1 3.85Å; W694-I719 HydrophobicContact CB-CG1 3.83Å; W694-I719 HydrophobicContact CG-CG1 4.23Å
695	C	98.8	Very high	98.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.			trans	-60.6	120.1	174.5	-67.6	0	0	0	0	110.3	C88 W91 S105 N106 Q692	C88-C695 WeakPolarHBondContact CA-SG 3.22Å; C88-C695 HydrophobicContact CB-CB 3.8Å; C88-C695 WeakPolarHBondContact CB-SG 3.33Å; C88-C695 WeakPolarHBondContact SG-CA 3.16Å; C88-C695 WeakPolarHBondContact SG-CB 3.37Å; C88-C695 CovalentContact SG-SG 2.04Å; C88-C695 PolarHBondContact SG-SG 2.91Å; W91-C695 HydrophobicContact CB-CB 4.43Å; W91-C695 HydrophobicContact CD2-CB 4.23Å; W91-C695 HydrophobicContact CG-CB 4.16Å; S105-C695 CarbonylContact C-O 3.26Å; S105-C695 WeakPolarHBondContact CA-O 3.29Å; S105-C695 VanDerWaalsContact CB-O 3.28Å; S105-C695 WeakPolarHBondContact CB-O 3.28Å; N106-C695 PolarHBondContact N-O 2.87Å; Q692-C695 VanDerWaalsContact CA-SG 3.57Å; Q692-C695 PolarHBondContact O-N 3.44Å
696	G	98.4	Very high	98.7	Very high	8 Å²	8	16.9 Å²	16.9	8%	0.082	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	172.4	-179.2	0	0	0	0	0	113.1	Y104 W694	Y104-G696 CarbonylContact O-C 3.59Å; Y104-G696 WeakPolarHBondContact O-CA 3.42Å; W694-G696 PolarHBondContact O-N 3.29Å; W694-G696 VanDerWaalsContact O-N 3.12Å
697	T	98.7	Very high	98.7	Very high	38 Å²	38	17.6 Å²	17.6	23%	0.233	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	162.4	175.4	-172.8	0	0	0	0	111	W91 L92 I97 R103 Y104	W91-T697 HydrophobicContact CZ3-CG2 4.29Å; L92-T697 HydrophobicContact CD2-CG2 4.49Å; I97-T697 HydrophobicContact CD1-CG2 3.88Å; I97-T697 HydrophobicContact CG1-CG2 3.66Å; R103-T697 WeakPolarHBondContact CA-O 3.29Å; R103-T697 WeakPolarHBondContact CG-O 3.36Å; Y104-T697 PolarHBondContact N-O 3.45Å; Y104-T697 PolarHBondContact O-N 3.42Å
698	Y	98.8	Very high	98.6	Very high	22 Å²	22	19.8 Å²	19.8	9%	0.086	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.4	-169.9	-64.1	-116.9	0	0	0	110.4	R103 W631 Y702 P714	R103-Y698 HydrophobicContact CB-CD1 4Å; R103-Y698 HydrophobicContact CB-CE1 4.31Å; R103-Y698 HydrophobicContact CB-CG 4.27Å; R103-Y698 WeakPolarHBondContact CD-OH 3.4Å; R103-Y698 HydrophobicContact CG-CD1 3.9Å; R103-Y698 HydrophobicContact CG-CD2 4.01Å; R103-Y698 HydrophobicContact CG-CE1 3.92Å; R103-Y698 HydrophobicContact CG-CE2 3.98Å; R103-Y698 HydrophobicContact CG-CG 3.95Å; W631-Y698 AromaticContact CH2-CD1 3.76Å; W631-Y698 HydrophobicContact CH2-CD1 3.76Å; W631-Y698 HydrophobicContact CH2-CD2 4.29Å; W631-Y698 HydrophobicContact CH2-CE1 4Å; W631-Y698 AromaticContact CH2-CG 3.92Å; W631-Y698 HydrophobicContact CH2-CG 3.92Å; W631-Y698 HydrophobicContact CZ2-CD1 4Å; W631-Y698 AromaticContact CZ2-CD2 3.71Å; W631-Y698 HydrophobicContact CZ2-CD2 3.71Å; W631-Y698 HydrophobicContact CZ2-CE1 4.37Å; W631-Y698 HydrophobicContact CZ2-CE2 4.16Å; W631-Y698 AromaticContact CZ2-CG 3.66Å; W631-Y698 HydrophobicContact CZ2-CG 3.66Å; Y698-Y702 AromaticContact CD1-CD1 3.71Å; Y698-Y702 HydrophobicContact CD1-CD1 3.71Å; Y698-Y702 AromaticContact CD1-CE1 3.92Å; Y698-Y702 HydrophobicContact CD1-CE1 3.92Å; Y698-Y702 HydrophobicContact CE1-CD1 4.37Å; Y698-Y702 HydrophobicContact CE1-CE1 4.12Å; Y698-P714 HydrophobicContact CE2-CB 4.44Å
699	R	98.7	Very high	98.5	Very high	39 Å²	39	22.8 Å²	22.8	15%	0.147	12%	0.119	C	C	.	.			trans	-71.9	145.9	165	-67	-172.6	179.4	-92.8	-1.2	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 3.32Å; I97-R699 VanDerWaalsContact O-NH2 3.09Å; P98-R699 PolarHBondContact O-NH2 3.45Å; E99-R699 IonicContact OE1-CZ 2.96Å; E99-R699 IonicContact OE1-NH1 2.8Å; E99-R699 IonicContact OE1-NH2 3.75Å; E99-R699 PolarHBondContact OE1-NH2 2.93Å; S101-R699 WeakPolarHBondContact O-CD 3.43Å; S101-R699 PolarHBondContact O-NE 2.65Å; S102-R699 WeakPolarHBondContact O-CB 3.36Å; S102-R699 PolarHBondContact O-N 2.92Å; G400-R699 VanDerWaalsContact C-CD 3.46Å; G400-R699 WeakPolarHBondContact O-CD 3.42Å; R699-E701 VanDerWaalsContact C-N 3.3Å; R699-E701 PolarHBondContact O-N 3.31Å; R699-Y702 PolarHBondContact O-N 3Å; R699-Y702 VanDerWaalsContact O-N 3.07Å; R699-A703 PolarHBondContact O-N 3.17Å
700	P	98.6	Very high	98.4	Very high	76 Å²	76	24.8 Å²	24.8	49%	0.494	13%	0.129	S	C	.	.	H	α-helix	trans	-55.6	-42.1	-178.1	-27.2	35.6	0	0	0	113.8	L633 Y702 A703 V704	L633-P700 WeakPolarHBondContact O-CA 3.21Å; P700-Y702 VanDerWaalsContact C-N 3.3Å; P700-Y702 PolarHBondContact O-N 2.87Å; P700-A703 PolarHBondContact O-N 3.36Å; P700-V704 WeakPolarHBondContact O-CG2 3.33Å; P700-V704 PolarHBondContact O-N 3.14Å
701	E	98.6	Very high	98.4	Very high	69 Å²	69	28.3 Å²	28.3	32%	0.322	15%	0.15	S	C	.	.	H	α-helix	trans	-61.2	-41.2	178.6	-57.8	87.6	163.8	0	0	111.3	G400 R699 N705	G400-E701 WeakPolarHBondContact CA-OE2 3.32Å; R699-E701 VanDerWaalsContact C-N 3.3Å; R699-E701 PolarHBondContact O-N 3.31Å; E701-N705 PolarHBondContact O-N 3.34Å; E701-N705 VanDerWaalsContact O-N 3.15Å
702	Y	98.8	Very high	98.4	Very high	40 Å²	40	31.1 Å²	31.1	16%	0.157	16%	0.163	C	C	.	.	H	α-helix	trans	-76.7	-29.3	178.2	-171.9	-120.7	0	0	0	112.8	S102 R103 Y399 Y698 R699 P700 N705 S706	S102-Y702 VanDerWaalsContact CB-CG 3.49Å; S102-Y702 WeakPolarHBondContact O-CD1 3.44Å; S102-Y702 WeakPolarHBondContact OG-CD1 3.26Å; R103-Y702 HydrophobicContact CB-CD1 3.97Å; R103-Y702 HydrophobicContact CB-CE1 3.9Å; Y399-Y702 AromaticContact CD1-CD2 3.82Å; Y399-Y702 HydrophobicContact CD1-CD2 3.82Å; Y399-Y702 HydrophobicContact CD1-CE2 4.15Å; Y399-Y702 HydrophobicContact CE1-CD2 4.38Å; Y399-Y702 HydrophobicContact CE1-CE2 4.35Å; Y698-Y702 AromaticContact CD1-CD1 3.71Å; Y698-Y702 HydrophobicContact CD1-CD1 3.71Å; Y698-Y702 AromaticContact CD1-CE1 3.92Å; Y698-Y702 HydrophobicContact CD1-CE1 3.92Å; Y698-Y702 HydrophobicContact CE1-CD1 4.37Å; Y698-Y702 HydrophobicContact CE1-CE1 4.12Å; R699-Y702 PolarHBondContact O-N 3Å; R699-Y702 VanDerWaalsContact O-N 3.07Å; P700-Y702 VanDerWaalsContact C-N 3.3Å; P700-Y702 PolarHBondContact O-N 2.87Å; Y702-N705 HydrophobicContact CD2-CB 4.19Å; Y702-N705 WeakPolarHBondContact O-CB 3.14Å; Y702-N705 PolarHBondContact O-N 2.97Å; Y702-S706 WeakPolarHBondContact O-CB 3.47Å; Y702-S706 PolarHBondContact O-N 3.48Å; Y702-S706 PolarHBondContact O-OG 3.05Å
703	A	98.8	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-41.4	171.9	0	0	0	0	0	111.5	W631 L633 A634 R699 P700 N705 I707	W631-A703 HydrophobicContact CD2-CB 4.36Å; W631-A703 HydrophobicContact CE3-CB 4.16Å; W631-A703 HydrophobicContact CH2-CB 3.51Å; W631-A703 HydrophobicContact CZ2-CB 3.74Å; W631-A703 HydrophobicContact CZ3-CB 3.73Å; W631-A703 VanDerWaalsContact CZ3-O 3.31Å; W631-A703 WeakPolarHBondContact CZ3-O 3.42Å; L633-A703 HydrophobicContact CB-CB 3.71Å; A634-A703 HydrophobicContact CB-CB 4.16Å; R699-A703 PolarHBondContact O-N 3.17Å; P700-A703 PolarHBondContact O-N 3.36Å; A703-N705 VanDerWaalsContact C-N 3.25Å; A703-N705 PolarHBondContact O-N 3.16Å; A703-I707 WeakPolarHBondContact O-CB 2.97Å; A703-I707 WeakPolarHBondContact O-CG2 3.03Å; A703-I707 PolarHBondContact O-N 3.43Å
704	V	98.6	Very high	98.4	Very high	17 Å²	17	31.4 Å²	31.4	10%	0.103	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-35.7	171.2	170	0	0	0	0	111.7	I237 Y238 P700 I707	I237-V704 HydrophobicContact CB-CG1 4.47Å; I237-V704 HydrophobicContact CD1-CG1 3.79Å; I237-V704 HydrophobicContact CD1-CG2 4.38Å; I237-V704 HydrophobicContact CG1-CG1 4.22Å; Y238-V704 HydrophobicContact CD1-CG1 4.29Å; Y238-V704 HydrophobicContact CE1-CG1 3.78Å; P700-V704 WeakPolarHBondContact O-CG2 3.33Å; P700-V704 PolarHBondContact O-N 3.14Å; V704-I707 WeakPolarHBondContact O-CG2 3.23Å
705	N	98.6	Very high	98.4	Very high	7 Å²	7	30.2 Å²	30.2	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-70.7	-54.5	176.9	-170.6	-23.2	0	0	0	111.9	P227 Y231 L398 E701 Y702 A703 I707 K708 T709	P227-N705 VanDerWaalsContact CB-OD1 3.23Å; P227-N705 WeakPolarHBondContact CB-OD1 3.29Å; P227-N705 WeakPolarHBondContact CG-ND2 3.47Å; Y231-N705 WeakPolarHBondContact OH-CA 3.2Å; Y231-N705 VanDerWaalsContact OH-CB 3.27Å; Y231-N705 WeakPolarHBondContact OH-CB 3.41Å; Y231-N705 PolarHBondContact OH-N 3.49Å; L398-N705 PolarHBondContact O-ND2 2.9Å; E701-N705 PolarHBondContact O-N 3.34Å; E701-N705 VanDerWaalsContact O-N 3.15Å; Y702-N705 HydrophobicContact CD2-CB 4.19Å; Y702-N705 WeakPolarHBondContact O-CB 3.14Å; Y702-N705 PolarHBondContact O-N 2.97Å; A703-N705 VanDerWaalsContact C-N 3.25Å; A703-N705 PolarHBondContact O-N 3.16Å; N705-I707 VanDerWaalsContact C-N 3.34Å; N705-I707 PolarHBondContact O-N 3.28Å; N705-K708 PolarHBondContact O-N 3.26Å; N705-K708 VanDerWaalsContact O-N 3.12Å; N705-T709 PolarHBondContact O-N 2.9Å; N705-T709 PolarHBondContact O-OG1 3.34Å; N705-T709 PolarHBondContact OD1-OG1 3.05Å; N705-T709 VanDerWaalsContact OD1-OG1 3.09Å
706	S	98.2	Very high	98.4	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-67.5	-33.5	-173	70.7	0	0	0	0	112.2	W631 Y702 K708 T709 D710	W631-S706 WeakPolarHBondContact CH2-OG 3.46Å; W631-S706 WeakPolarHBondContact CZ3-OG 3.4Å; Y702-S706 WeakPolarHBondContact O-CB 3.47Å; Y702-S706 PolarHBondContact O-N 3.48Å; Y702-S706 PolarHBondContact O-OG 3.05Å; S706-K708 PolarHBondContact O-N 3.33Å; S706-T709 PolarHBondContact O-N 3.19Å; S706-D710 VanDerWaalsContact O-CB 3.24Å; S706-D710 WeakPolarHBondContact O-CB 3.07Å; S706-D710 PolarHBondContact O-N 3.39Å
707	I	98.1	Very high	98.4	Very high	14 Å²	14	31.5 Å²	31.5	7%	0.072	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-15	176.7	-155.2	178.8	0	0	0	113.3	W631 A634 Q637 H638 L639 A703 V704 N705	W631-I707 HydrophobicContact CE3-CB 4.09Å; W631-I707 HydrophobicContact CE3-CD1 4.12Å; W631-I707 HydrophobicContact CE3-CG1 4.2Å; W631-I707 HydrophobicContact CZ3-CB 4.09Å; A634-I707 HydrophobicContact CB-CD1 3.94Å; A634-I707 HydrophobicContact CB-CG2 4.37Å; Q637-I707 HydrophobicContact CB-CD1 3.73Å; H638-I707 VanDerWaalsContact O-CD1 3.31Å; H638-I707 WeakPolarHBondContact O-CD1 3.22Å; L639-I707 HydrophobicContact CD2-CD1 4.02Å; L639-I707 HydrophobicContact CD2-CG1 3.97Å; A703-I707 WeakPolarHBondContact O-CB 2.97Å; A703-I707 WeakPolarHBondContact O-CG2 3.03Å; A703-I707 PolarHBondContact O-N 3.43Å; V704-I707 WeakPolarHBondContact O-CG2 3.23Å; N705-I707 VanDerWaalsContact C-N 3.34Å; N705-I707 PolarHBondContact O-N 3.28Å
708	K	97.2	Very high	98.4	Very high	48 Å²	48	30.4 Å²	30.4	21%	0.209	16%	0.159	C	C	.	.	H	α-helix	trans	-107.5	-20.3	176.9	-63.8	-63.6	-178.4	-80.9	0	113.9	D230 Y238 N705 S706	D230-K708 HydrophobicContact CB-CD 4.41Å; Y238-K708 WeakPolarHBondContact OH-CE 3.43Å; N705-K708 PolarHBondContact O-N 3.26Å; N705-K708 VanDerWaalsContact O-N 3.12Å; S706-K708 PolarHBondContact O-N 3.33Å
709	T	97.2	Very high	98.4	Very high	63 Å²	63	29.3 Å²	29.3	39%	0.387	16%	0.155	S	C	.	.	H	α-helix	trans	-122.4	-26.1	-168.6	57.3	0	0	0	0	114.4	P227 N705 S706	P227-T709 HydrophobicContact CB-CG2 3.73Å; P227-T709 WeakPolarHBondContact O-CG2 3.29Å; N705-T709 PolarHBondContact O-N 2.9Å; N705-T709 PolarHBondContact O-OG1 3.34Å; N705-T709 PolarHBondContact OD1-OG1 3.05Å; N705-T709 VanDerWaalsContact OD1-OG1 3.09Å; S706-T709 PolarHBondContact O-N 3.19Å
710	D	97.7	Very high	98.4	Very high	42 Å²	42	27.7 Å²	27.7	23%	0.225	15%	0.149	C	C	.	.			trans	-84.9	132.2	177.1	-159	-12.9	0	0	0	109.1	S706 H712	S706-D710 VanDerWaalsContact O-CB 3.24Å; S706-D710 WeakPolarHBondContact O-CB 3.07Å; S706-D710 PolarHBondContact O-N 3.39Å; D710-H712 IonicContact OD1-CE1 3.63Å; D710-H712 IonicContact OD1-CG 2.68Å; D710-H712 PolarHBondContact OD1-N 3.19Å; D710-H712 IonicContact OD1-ND1 3.31Å; D710-H712 PolarHBondContact OD1-ND1 3.43Å
711	V	97.9	Very high	98.5	Very high	73 Å²	73	24.1 Å²	24.1	44%	0.442	13%	0.125	S	C	.	.	S	Bend	trans	-80.1	-11.7	173.2	-63.7	0	0	0	0	111.2	T644 E647	T644-V711 WeakPolarHBondContact CA-O 3.23Å; E647-V711 HydrophobicContact CG-CB 4.32Å; E647-V711 HydrophobicContact CG-CG2 3.98Å; E647-V711 VanDerWaalsContact CG-O 3.24Å; E647-V711 WeakPolarHBondContact CG-O 3.29Å
712	H	98.6	Very high	98.5	Very high	59 Å²	59	20.8 Å²	20.8	27%	0.273	11%	0.11	S	C	.	.	S	Bend	trans	-89	143.1	175.2	-50.3	88.5	0	0	0	111.2	E647 D710 R718	E647-H712 VanDerWaalsContact CD-NE2 3.31Å; E647-H712 HydrophobicContact CG-CB 4.44Å; E647-H712 WeakPolarHBondContact CG-CD2 3.33Å; E647-H712 IonicContact OE1-CD2 3.84Å; E647-H712 IonicContact OE1-NE2 2.69Å; E647-H712 IonicContact OE2-CD2 2.69Å; E647-H712 PolarHBondContact OE2-CD2 2.88Å; E647-H712 IonicContact OE2-NE2 3.51Å; E647-H712 PolarHBondContact OE2-NE2 3.37Å; D710-H712 IonicContact OD1-CE1 3.63Å; D710-H712 IonicContact OD1-CG 2.68Å; D710-H712 PolarHBondContact OD1-N 3.19Å; D710-H712 IonicContact OD1-ND1 3.31Å; D710-H712 PolarHBondContact OD1-ND1 3.43Å; H712-R718 PolarHBondContact CD2-NH1 2.91Å
713	S	98.8	Very high	98.5	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.014	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-61.4	149	161.7	-71.5	0	0	0	0	110.5	Y626 N648 R718	Y626-S713 WeakPolarHBondContact CD1-OG 3.28Å; N648-S713 WeakPolarHBondContact OD1-CB 3.49Å; N648-S713 PolarHBondContact OD1-OG 2.87Å; S713-R718 VanDerWaalsContact O-CD 3.32Å; S713-R718 WeakPolarHBondContact O-CD 3.43Å; S713-R718 VanDerWaalsContact O-CG 3.28Å; S713-R718 WeakPolarHBondContact O-CG 3.35Å
714	P	98.8	Very high	98.5	Very high	7 Å²	7	19.7 Å²	19.7	5%	0.045	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-55.9	146	171.7	-25.4	34.8	0	0	0	111.6	W631 L639 Y698 N716 F717 R718	W631-P714 HydrophobicContact CD2-CB 4.33Å; W631-P714 HydrophobicContact CD2-CG 3.72Å; W631-P714 HydrophobicContact CE3-CG 3.55Å; W631-P714 HydrophobicContact CH2-CB 3.96Å; W631-P714 HydrophobicContact CH2-CG 3.58Å; W631-P714 HydrophobicContact CZ2-CB 3.7Å; W631-P714 HydrophobicContact CZ2-CG 3.73Å; W631-P714 HydrophobicContact CZ3-CB 4.37Å; W631-P714 HydrophobicContact CZ3-CG 3.5Å; W631-P714 VanDerWaalsContact CZ3-CG 3.5Å; L639-P714 HydrophobicContact CD2-CG 3.88Å; Y698-P714 HydrophobicContact CE2-CB 4.44Å; P714-N716 WeakPolarHBondContact CB-OD1 3.32Å; P714-N716 PolarHBondContact O-N 3.44Å; P714-F717 HydrophobicContact CB-CD2 4.08Å; P714-F717 HydrophobicContact CG-CD2 4.05Å; P714-F717 WeakPolarHBondContact O-CA 3.37Å; P714-F717 PolarHBondContact O-N 3.16Å; P714-R718 PolarHBondContact O-N 3.39Å
715	G	98.6	Very high	98.5	Very high	6 Å²	6	19.7 Å²	19.7	6%	0.062	11%	0.106	C	C	.	.	H	α-helix	trans	-51.5	-38.8	-171.6	0	0	0	0	0	114.7	F717 R718 I719	G715-F717 VanDerWaalsContact C-N 3.33Å; G715-F717 PolarHBondContact O-N 3.49Å; G715-R718 PolarHBondContact O-N 3.12Å; G715-I719 WeakPolarHBondContact O-CG1 3.46Å; G715-I719 PolarHBondContact O-N 2.8Å; G715-I719 VanDerWaalsContact O-N 3.09Å
716	N	98.7	Very high	98.5	Very high	23 Å²	23	20 Å²	20	12%	0.123	11%	0.108	C	C	.	.	H	α-helix	trans	-62.2	-36.9	175.6	62.1	-62.2	0	0	0	113.1	F84 P714 I719 I720	F84-N716 HydrophobicContact CB-CB 4.45Å; 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 4.02Å; F84-N716 HydrophobicContact CG-CB 3.74Å; F84-N716 HydrophobicContact CZ-CB 3.81Å; P714-N716 WeakPolarHBondContact CB-OD1 3.32Å; P714-N716 PolarHBondContact O-N 3.44Å; N716-I719 PolarHBondContact O-N 3.35Å; N716-I720 WeakPolarHBondContact O-CD1 3.44Å; N716-I720 VanDerWaalsContact O-CG1 3.28Å; N716-I720 WeakPolarHBondContact O-CG1 3.43Å; N716-I720 PolarHBondContact O-N 2.97Å
717	F	98.9	Very high	98.5	Very high	13 Å²	13	21.7 Å²	21.7	6%	0.057	12%	0.123	C	C	.	.	H	α-helix	trans	-82.6	-25.7	177.5	-63.7	-58.1	0	0	0	112.9	F629 T630 W631 L639 P714 G715 I719 I720 G721	F629-F717 HydrophobicContact CB-CD1 3.74Å; F629-F717 HydrophobicContact CB-CD2 4.45Å; F629-F717 HydrophobicContact CB-CE1 3.73Å; F629-F717 HydrophobicContact CB-CE2 4.42Å; F629-F717 HydrophobicContact CB-CG 4.13Å; F629-F717 HydrophobicContact CB-CZ 4.08Å; F629-F717 AromaticContact CD1-CD1 3.86Å; F629-F717 HydrophobicContact CD1-CD1 3.86Å; F629-F717 AromaticContact CD1-CE1 3.98Å; F629-F717 HydrophobicContact CD1-CE1 3.98Å; F629-F717 HydrophobicContact CD2-CB 4.05Å; F629-F717 AromaticContact CD2-CD1 3.79Å; F629-F717 HydrophobicContact CD2-CD1 3.79Å; F629-F717 HydrophobicContact CD2-CG 4.07Å; F629-F717 HydrophobicContact CE1-CD1 4.43Å; F629-F717 HydrophobicContact CE2-CB 4.47Å; F629-F717 HydrophobicContact CE2-CD1 4.38Å; F629-F717 AromaticContact CG-CD1 3.52Å; F629-F717 HydrophobicContact CG-CD1 3.52Å; F629-F717 AromaticContact CG-CE1 3.86Å; F629-F717 HydrophobicContact CG-CE1 3.86Å; F629-F717 HydrophobicContact CG-CG 4.13Å; T630-F717 WeakPolarHBondContact O-CZ 3.46Å; W631-F717 HydrophobicContact CB-CE2 3.88Å; W631-F717 AromaticContact CD1-CE2 3.8Å; W631-F717 AromaticContact CG-CE2 3.85Å; W631-F717 HydrophobicContact CG-CE2 3.85Å; L639-F717 HydrophobicContact CD1-CB 3.99Å; L639-F717 HydrophobicContact CD1-CD2 3.75Å; L639-F717 HydrophobicContact CD1-CE2 4.49Å; L639-F717 HydrophobicContact CD1-CG 4Å; L639-F717 HydrophobicContact CD2-CD2 4.22Å; L639-F717 HydrophobicContact CD2-CE2 4.41Å; L639-F717 HydrophobicContact CG-CD2 4.31Å; P714-F717 HydrophobicContact CB-CD2 4.08Å; P714-F717 HydrophobicContact CG-CD2 4.05Å; P714-F717 WeakPolarHBondContact O-CA 3.37Å; P714-F717 PolarHBondContact O-N 3.16Å; G715-F717 VanDerWaalsContact C-N 3.33Å; G715-F717 PolarHBondContact O-N 3.49Å; F717-I719 VanDerWaalsContact C-N 3.27Å; F717-I719 PolarHBondContact O-N 2.95Å; F717-I720 PolarHBondContact O-N 2.86Å; F717-G721 PolarHBondContact O-N 3.21Å
718	R	98.9	Very high	98.6	Very high	14 Å²	14	24.5 Å²	24.5	5%	0.053	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-38	165.8	-62.5	-174.1	80.7	155.7	3	111.2	H584 E647 D651 W694 H712 S713 P714 G715 T722	H584-R718 PolarHBondContact CE1-NH2 3.28Å; E647-R718 IonicContact OE2-NH2 2.74Å; D651-R718 VanDerWaalsContact CG-NE 3.32Å; D651-R718 IonicContact OD1-CZ 3.4Å; D651-R718 VanDerWaalsContact OD1-CZ 3.27Å; D651-R718 IonicContact OD1-NE 2.99Å; D651-R718 PolarHBondContact OD1-NE 2.91Å; D651-R718 VanDerWaalsContact OD1-NE 3.1Å; D651-R718 IonicContact OD1-NH2 2.72Å; D651-R718 PolarHBondContact OD1-NH2 3.35Å; D651-R718 WeakPolarHBondContact OD2-CB 3.32Å; D651-R718 VanDerWaalsContact OD2-CG 3.31Å; D651-R718 WeakPolarHBondContact OD2-CG 3.46Å; D651-R718 IonicContact OD2-CZ 3.45Å; D651-R718 IonicContact OD2-NE 2.76Å; D651-R718 PolarHBondContact OD2-NE 3.24Å; D651-R718 IonicContact OD2-NH2 3.32Å; W694-R718 VanDerWaalsContact CH2-NH1 3.3Å; H712-R718 PolarHBondContact CD2-NH1 2.91Å; S713-R718 VanDerWaalsContact O-CD 3.32Å; S713-R718 WeakPolarHBondContact O-CD 3.43Å; S713-R718 VanDerWaalsContact O-CG 3.28Å; S713-R718 WeakPolarHBondContact O-CG 3.35Å; P714-R718 PolarHBondContact O-N 3.39Å; G715-R718 PolarHBondContact O-N 3.12Å; R718-T722 WeakPolarHBondContact O-CB 3.44Å; R718-T722 PolarHBondContact O-OG1 3.26Å
719	I	98.9	Very high	98.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.1	-57.2	172.4	-60.6	164.6	0	0	0	110.6	F83 F84 A691 W694 G715 N716 F717 L723	F83-I719 HydrophobicContact CD1-CG2 4.04Å; F84-I719 HydrophobicContact CB-CD1 4.16Å; F84-I719 HydrophobicContact CB-CG2 4.49Å; F84-I719 HydrophobicContact CD2-CD1 3.5Å; F84-I719 VanDerWaalsContact CD2-CD1 3.5Å; F84-I719 HydrophobicContact CE2-CD1 4.33Å; F84-I719 HydrophobicContact CG-CD1 4.26Å; A691-I719 HydrophobicContact CB-CD1 4.09Å; A691-I719 HydrophobicContact CB-CG1 4.15Å; A691-I719 HydrophobicContact CB-CG2 3.84Å; A691-I719 WeakPolarHBondContact O-CD1 3.3Å; W694-I719 HydrophobicContact CB-CD1 3.85Å; W694-I719 HydrophobicContact CB-CG1 3.83Å; W694-I719 HydrophobicContact CG-CG1 4.23Å; G715-I719 WeakPolarHBondContact O-CG1 3.46Å; G715-I719 PolarHBondContact O-N 2.8Å; G715-I719 VanDerWaalsContact O-N 3.09Å; N716-I719 PolarHBondContact O-N 3.35Å; F717-I719 VanDerWaalsContact C-N 3.27Å; F717-I719 PolarHBondContact O-N 2.95Å; I719-L723 HydrophobicContact CG2-CD1 3.77Å; I719-L723 WeakPolarHBondContact O-CB 3.22Å; I719-L723 VanDerWaalsContact O-CG 3.26Å; I719-L723 WeakPolarHBondContact O-CG 3.45Å; I719-L723 PolarHBondContact O-N 3.35Å
720	I	98.9	Very high	98.7	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-52.7	-169.9	-69.5	163.4	0	0	0	111.4	F84 F629 N716 F717 T722 L723 Q724 Y740 M741	F84-I720 HydrophobicContact CB-CD1 4.33Å; F84-I720 HydrophobicContact CB-CG1 4.38Å; F629-I720 HydrophobicContact CE1-CG2 4.12Å; F629-I720 HydrophobicContact CZ-CG2 4.12Å; N716-I720 WeakPolarHBondContact O-CD1 3.44Å; N716-I720 VanDerWaalsContact O-CG1 3.28Å; N716-I720 WeakPolarHBondContact O-CG1 3.43Å; N716-I720 PolarHBondContact O-N 2.97Å; F717-I720 PolarHBondContact O-N 2.86Å; I720-T722 VanDerWaalsContact C-N 3.33Å; I720-T722 PolarHBondContact O-N 2.94Å; I720-L723 PolarHBondContact O-N 2.64Å; I720-Q724 HydrophobicContact CG2-CG 4.22Å; I720-Q724 VanDerWaalsContact O-CB 3.3Å; I720-Q724 WeakPolarHBondContact O-CB 3.45Å; I720-Q724 WeakPolarHBondContact O-CG 3.09Å; I720-Q724 PolarHBondContact O-N 2.91Å; I720-Y740 HydrophobicContact CD1-CE1 4.33Å; I720-Y740 HydrophobicContact CG1-CE1 4.47Å; I720-Y740 HydrophobicContact CG2-CE1 3.6Å; 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	23 Å²	23	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.3	-42.6	-176	0	0	0	0	0	112.4	Q625 F717 N725	Q625-G721 PolarHBondContact NE2-O 3.17Å; Q625-G721 VanDerWaalsContact NE2-O 3.12Å; F717-G721 PolarHBondContact O-N 3.21Å; G721-N725 PolarHBondContact O-N 3.33Å; G721-N725 PolarHBondContact O-ND2 2.9Å; G721-N725 VanDerWaalsContact O-ND2 3.16Å
722	T	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.4	-47.6	178.9	-59.5	0	0	0	0	112.2	Y626 I655 F690 R718 I720 N725 S726	Y626-T722 PolarHBondContact OH-N 2.93Å; Y626-T722 PolarHBondContact OH-OG1 3.33Å; I655-T722 HydrophobicContact CB-CG2 4.05Å; I655-T722 HydrophobicContact CG2-CG2 3.4Å; I655-T722 VanDerWaalsContact CG2-CG2 3.4Å; F690-T722 HydrophobicContact CE1-CG2 4.29Å; F690-T722 HydrophobicContact CZ-CG2 3.82Å; R718-T722 WeakPolarHBondContact O-CB 3.44Å; R718-T722 PolarHBondContact O-OG1 3.26Å; I720-T722 VanDerWaalsContact C-N 3.33Å; I720-T722 PolarHBondContact O-N 2.94Å; T722-N725 PolarHBondContact O-N 3.12Å; T722-S726 PolarHBondContact O-N 3Å
723	L	98.9	Very high	98.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-76.3	-26.3	-177.9	-61.1	-180	0	0	0	112.9	F83 F687 F690 I719 I720 N725 S726 F729 M741	F83-L723 HydrophobicContact CB-CD1 4.25Å; F83-L723 HydrophobicContact CD1-CD1 3.19Å; F83-L723 HydrophobicContact CE1-CD1 3.68Å; F83-L723 HydrophobicContact CG-CD1 3.89Å; F687-L723 HydrophobicContact CD1-CD2 3.56Å; F687-L723 HydrophobicContact CE1-CD2 4.08Å; F687-L723 HydrophobicContact CG-CD2 4.44Å; F690-L723 HydrophobicContact CD1-CD1 4.22Å; F690-L723 HydrophobicContact CD1-CD2 3.9Å; F690-L723 HydrophobicContact CD1-CG 4.24Å; F690-L723 HydrophobicContact CE1-CD1 4.09Å; F690-L723 HydrophobicContact CE1-CD2 3.79Å; F690-L723 HydrophobicContact CE1-CG 3.81Å; I719-L723 HydrophobicContact CG2-CD1 3.77Å; I719-L723 WeakPolarHBondContact O-CB 3.22Å; I719-L723 VanDerWaalsContact O-CG 3.26Å; I719-L723 WeakPolarHBondContact O-CG 3.45Å; I719-L723 PolarHBondContact O-N 3.35Å; I720-L723 PolarHBondContact O-N 2.64Å; L723-N725 PolarHBondContact O-N 3.44Å; L723-S726 PolarHBondContact O-N 3.1Å; L723-F729 HydrophobicContact CB-CD1 3.94Å; L723-F729 HydrophobicContact CB-CD2 4.24Å; L723-F729 HydrophobicContact CB-CE1 4.27Å; L723-F729 HydrophobicContact CB-CG 3.94Å; L723-F729 HydrophobicContact CD1-CD2 4Å; L723-F729 HydrophobicContact CD1-CE2 3.92Å; L723-F729 HydrophobicContact CD1-CZ 4.41Å; L723-F729 HydrophobicContact CD2-CB 4.2Å; L723-F729 HydrophobicContact CD2-CD2 4Å; L723-F729 HydrophobicContact CD2-CG 4.1Å; L723-F729 HydrophobicContact CG-CD2 4.3Å; L723-F729 HydrophobicContact CG-CG 4.4Å; L723-M741 HydrophobicContact CB-CE 3.68Å; L723-M741 HydrophobicContact CD1-CE 4.49Å
724	Q	98.9	Very high	98.8	Very high	16 Å²	16	25.2 Å²	25.2	8%	0.075	13%	0.134	C	C	.	.	H	α-helix	trans	-58.1	-35.1	167.9	-82.8	179.3	-18.7	0	0	112	I720 Y740 P743 K746	I720-Q724 HydrophobicContact CG2-CG 4.22Å; I720-Q724 VanDerWaalsContact O-CB 3.3Å; I720-Q724 WeakPolarHBondContact O-CB 3.45Å; I720-Q724 WeakPolarHBondContact O-CG 3.09Å; I720-Q724 PolarHBondContact O-N 2.91Å; Q724-Y740 WeakPolarHBondContact CG-O 3.46Å; Q724-Y740 PolarHBondContact NE2-O 2.77Å; Q724-P743 HydrophobicContact CB-CG 3.89Å; Q724-P743 HydrophobicContact CG-CG 4.15Å; Q724-K746 PolarHBondContact O-NZ 3.2Å
725	N	98.9	Very high	98.8	Very high	18 Å²	18	25.4 Å²	25.4	10%	0.096	14%	0.136	C	C	.	.	H	α-helix	trans	-85.7	-15.8	-179.6	-68.8	-29.9	0	0	0	114.2	Q625 N652 G721 T722 L723 C747	Q625-N725 PolarHBondContact NE2-ND2 2.77Å; Q625-N725 PolarHBondContact NE2-OD1 3.33Å; Q625-N725 PolarHBondContact OE1-ND2 3.34Å; Q625-N725 PolarHBondContact OE1-OD1 3.41Å; N652-N725 VanDerWaalsContact OD1-CB 3.29Å; N652-N725 WeakPolarHBondContact OD1-CB 3.32Å; N652-N725 PolarHBondContact OD1-ND2 3.21Å; G721-N725 PolarHBondContact O-N 3.33Å; G721-N725 PolarHBondContact O-ND2 2.9Å; G721-N725 VanDerWaalsContact O-ND2 3.16Å; T722-N725 PolarHBondContact O-N 3.12Å; L723-N725 PolarHBondContact O-N 3.44Å; N725-C747 WeakPolarHBondContact CB-O 3.33Å; N725-C747 PolarHBondContact OD1-N 3.41Å
726	S	98.8	Very high	98.8	Very high	12 Å²	12	35.4 Å²	35.4	8%	0.084	17%	0.172	C	C	.	.			trans	-82.8	124.3	176.4	176.4	0	0	0	0	111	T722 L723 E728 F729 K746	T722-S726 PolarHBondContact O-N 3Å; L723-S726 PolarHBondContact O-N 3.1Å; S726-E728 PolarHBondContact OG-N 2.95Å; S726-E728 PolarHBondContact OG-OE2 3.1Å; S726-F729 PolarHBondContact OG-N 3.22Å; S726-K746 PolarHBondContact O-NZ 3.01Å
727	A	98.8	Very high	98.8	Very high	41 Å²	41	43.5 Å²	43.5	34%	0.339	21%	0.206	S	C	.	.	H	α-helix	trans	-74.9	-35.3	169.7	0	0	0	0	0	110.4	F729 A730 D731	A727-F729 VanDerWaalsContact C-N 3.34Å; A727-F729 PolarHBondContact O-N 2.86Å; A727-A730 WeakPolarHBondContact O-CB 3.28Å; A727-A730 PolarHBondContact O-N 3.22Å; A727-A730 VanDerWaalsContact O-N 3.12Å; A727-D731 PolarHBondContact O-N 2.83Å
728	E	98.8	Very high	98.7	Very high	72 Å²	72	48 Å²	48	34%	0.336	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-35.8	-178.1	-57.4	74	-161.4	0	0	112.1	Y659 F687 S726 D731 A732	Y659-E728 HydrophobicContact CD1-CB 3.8Å; Y659-E728 HydrophobicContact CD1-CG 3.74Å; Y659-E728 HydrophobicContact CE1-CB 3.4Å; Y659-E728 HydrophobicContact CE1-CG 3.51Å; F687-E728 HydrophobicContact CZ-CB 4.1Å; S726-E728 PolarHBondContact OG-N 2.95Å; S726-E728 PolarHBondContact OG-OE2 3.1Å; E728-D731 PolarHBondContact O-N 3.44Å; E728-A732 VanDerWaalsContact O-CB 3.32Å; E728-A732 WeakPolarHBondContact O-CB 3.42Å; E728-A732 PolarHBondContact O-N 2.95Å
729	F	98.9	Very high	98.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.7	-51.1	169.7	167.8	-98.4	0	0	0	111.3	F83 F687 L723 S726 A727 D731 A732 F733 M741	F83-F729 HydrophobicContact CB-CZ 4.09Å; F83-F729 HydrophobicContact CD1-CE2 4.05Å; F83-F729 HydrophobicContact CD1-CZ 4.44Å; F83-F729 AromaticContact CD2-CE2 3.49Å; F83-F729 HydrophobicContact CD2-CE2 3.49Å; F83-F729 VanDerWaalsContact CD2-CE2 3.49Å; F83-F729 AromaticContact CD2-CZ 3.49Å; F83-F729 HydrophobicContact CD2-CZ 3.49Å; F83-F729 VanDerWaalsContact CD2-CZ 3.49Å; F83-F729 HydrophobicContact CE1-CE2 4.04Å; F83-F729 AromaticContact CE2-CE2 3.52Å; F83-F729 HydrophobicContact CE2-CE2 3.52Å; F83-F729 AromaticContact CE2-CZ 3.97Å; F83-F729 HydrophobicContact CE2-CZ 3.97Å; F83-F729 AromaticContact CG-CE2 3.76Å; F83-F729 HydrophobicContact CG-CE2 3.76Å; F83-F729 AromaticContact CG-CZ 3.75Å; F83-F729 HydrophobicContact CG-CZ 3.75Å; F83-F729 AromaticContact CZ-CE2 3.79Å; F83-F729 HydrophobicContact CZ-CE2 3.79Å; F687-F729 HydrophobicContact CB-CD2 3.98Å; F687-F729 HydrophobicContact CB-CE2 4.49Å; F687-F729 HydrophobicContact CD1-CB 4.16Å; F687-F729 HydrophobicContact CD1-CD2 4.14Å; F687-F729 HydrophobicContact CD2-CB 4.39Å; F687-F729 HydrophobicContact CD2-CD2 4.12Å; F687-F729 HydrophobicContact CE1-CB 3.91Å; F687-F729 HydrophobicContact CE2-CB 4.16Å; F687-F729 HydrophobicContact CG-CB 4.4Å; F687-F729 AromaticContact CG-CD2 3.82Å; F687-F729 HydrophobicContact CG-CD2 3.82Å; F687-F729 HydrophobicContact CZ-CB 3.92Å; L723-F729 HydrophobicContact CB-CD1 3.94Å; L723-F729 HydrophobicContact CB-CD2 4.24Å; L723-F729 HydrophobicContact CB-CE1 4.27Å; L723-F729 HydrophobicContact CB-CG 3.94Å; L723-F729 HydrophobicContact CD1-CD2 4Å; L723-F729 HydrophobicContact CD1-CE2 3.92Å; L723-F729 HydrophobicContact CD1-CZ 4.41Å; L723-F729 HydrophobicContact CD2-CB 4.2Å; L723-F729 HydrophobicContact CD2-CD2 4Å; L723-F729 HydrophobicContact CD2-CG 4.1Å; L723-F729 HydrophobicContact CG-CD2 4.3Å; L723-F729 HydrophobicContact CG-CG 4.4Å; S726-F729 PolarHBondContact OG-N 3.22Å; A727-F729 VanDerWaalsContact C-N 3.34Å; A727-F729 PolarHBondContact O-N 2.86Å; F729-D731 PolarHBondContact O-N 2.05Å; F729-A732 PolarHBondContact O-N 3.15Å; F729-F733 AromaticContact CD2-CD2 3.7Å; F729-F733 HydrophobicContact CD2-CD2 3.7Å; F729-F733 AromaticContact CD2-CE2 3.99Å; F729-F733 HydrophobicContact CD2-CE2 3.99Å; F729-F733 AromaticContact CE2-CD2 3.41Å; F729-F733 HydrophobicContact CE2-CD2 3.41Å; F729-F733 VanDerWaalsContact CE2-CD2 3.41Å; F729-F733 AromaticContact CE2-CE2 3.71Å; F729-F733 HydrophobicContact CE2-CE2 3.71Å; F729-F733 HydrophobicContact CE2-CG 4.14Å; F729-F733 HydrophobicContact CZ-CD2 4.1Å; F729-F733 HydrophobicContact CZ-CG 4.43Å; F729-F733 PolarHBondContact O-N 3.43Å; F729-M741 HydrophobicContact CE1-CB 3.83Å; F729-M741 HydrophobicContact CE1-CE 4.24Å; F729-M741 HydrophobicContact CZ-CB 4.49Å; F729-M741 HydrophobicContact CZ-CE 4.46Å
730	A	98.8	Very high	98.6	Very high	3 Å²	3	53.8 Å²	53.8	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-36	-179.9	0	0	0	0	0	111.5	A727 H734 C735 N742	A727-A730 WeakPolarHBondContact O-CB 3.28Å; A727-A730 PolarHBondContact O-N 3.22Å; A727-A730 VanDerWaalsContact O-N 3.12Å; A730-H734 CarbonylContact O-C 3.56Å; A730-H734 VanDerWaalsContact O-CA 3.3Å; A730-H734 WeakPolarHBondContact O-CA 3.4Å; A730-H734 PolarHBondContact O-N 3.32Å; A730-C735 HydrophobicContact CB-CB 4.1Å; A730-C735 PolarHBondContact O-N 2.89Å; A730-N742 HydrophobicContact CB-CB 4.06Å; A730-N742 VanDerWaalsContact CB-CG 3.49Å
731	D	98.8	Very high	98.6	Very high	118 Å²	118	53.5 Å²	53.5	63%	0.631	26%	0.256	S	S	*	.	H	α-helix	trans	-68.6	-46	174.4	-71.7	-15.4	0	0	0	111.8	A727 E728 F729 F733 H734	A727-D731 PolarHBondContact O-N 2.83Å; E728-D731 PolarHBondContact O-N 3.44Å; F729-D731 PolarHBondContact O-N 2.05Å; D731-F733 VanDerWaalsContact C-N 3.28Å; D731-F733 PolarHBondContact O-N 2.91Å; D731-H734 PolarHBondContact O-N 3.12Å
732	A	98.8	Very high	98.6	Very high	10 Å²	10	54.5 Å²	54.5	8%	0.083	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-33.2	-179.4	0	0	0	0	0	113.1	K683 Q684 F687 E728 F729	K683-A732 HydrophobicContact CB-CB 4.24Å; Q684-A732 HydrophobicContact CG-CB 4.33Å; Q684-A732 WeakPolarHBondContact CG-O 3.34Å; Q684-A732 PolarHBondContact NE2-O 2.52Å; F687-A732 HydrophobicContact CD2-CB 4.18Å; F687-A732 HydrophobicContact CE2-CB 4.03Å; E728-A732 VanDerWaalsContact O-CB 3.32Å; E728-A732 WeakPolarHBondContact O-CB 3.42Å; E728-A732 PolarHBondContact O-N 2.95Å; F729-A732 PolarHBondContact O-N 3.15Å
733	F	98.8	Very high	98.6	Very high	16 Å²	16	56 Å²	56	7%	0.07	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	4.5	177.8	-73.2	-88.3	0	0	0	114	P79 F83 Y86 L680 Q684 F687 F729 D731 C735	P79-F733 HydrophobicContact CB-CD1 3.71Å; P79-F733 HydrophobicContact CB-CE1 4.13Å; P79-F733 HydrophobicContact CB-CG 4.37Å; P79-F733 HydrophobicContact CG-CD1 3.73Å; P79-F733 HydrophobicContact CG-CE1 4.37Å; F83-F733 HydrophobicContact CE2-CD1 4.23Å; F83-F733 HydrophobicContact CE2-CD2 4.26Å; F83-F733 AromaticContact CE2-CE1 3.74Å; F83-F733 HydrophobicContact CE2-CE1 3.74Å; F83-F733 AromaticContact CE2-CE2 3.78Å; F83-F733 HydrophobicContact CE2-CE2 3.78Å; F83-F733 HydrophobicContact CE2-CG 4.47Å; F83-F733 AromaticContact CE2-CZ 3.49Å; F83-F733 HydrophobicContact CE2-CZ 3.49Å; F83-F733 VanDerWaalsContact CE2-CZ 3.49Å; F83-F733 HydrophobicContact CZ-CE1 4.32Å; F83-F733 AromaticContact CZ-CE2 3.86Å; F83-F733 HydrophobicContact CZ-CE2 3.86Å; F83-F733 AromaticContact CZ-CZ 3.64Å; F83-F733 HydrophobicContact CZ-CZ 3.64Å; Y86-F733 HydrophobicContact CE1-CE1 4.11Å; L680-F733 HydrophobicContact CD2-CE1 4.46Å; Q684-F733 HydrophobicContact CB-CE1 4.1Å; Q684-F733 HydrophobicContact CB-CE2 4.02Å; Q684-F733 HydrophobicContact CB-CZ 3.6Å; Q684-F733 HydrophobicContact CG-CD1 4.37Å; Q684-F733 HydrophobicContact CG-CD2 4.36Å; Q684-F733 HydrophobicContact CG-CE1 4.03Å; Q684-F733 HydrophobicContact CG-CE2 4Å; Q684-F733 HydrophobicContact CG-CZ 3.83Å; F687-F733 HydrophobicContact CB-CE2 4.03Å; F687-F733 HydrophobicContact CD2-CE2 4.28Å; F729-F733 AromaticContact CD2-CD2 3.7Å; F729-F733 HydrophobicContact CD2-CD2 3.7Å; F729-F733 AromaticContact CD2-CE2 3.99Å; F729-F733 HydrophobicContact CD2-CE2 3.99Å; F729-F733 AromaticContact CE2-CD2 3.41Å; F729-F733 HydrophobicContact CE2-CD2 3.41Å; F729-F733 VanDerWaalsContact CE2-CD2 3.41Å; F729-F733 AromaticContact CE2-CE2 3.71Å; F729-F733 HydrophobicContact CE2-CE2 3.71Å; F729-F733 HydrophobicContact CE2-CG 4.14Å; F729-F733 HydrophobicContact CZ-CD2 4.1Å; F729-F733 HydrophobicContact CZ-CG 4.43Å; F729-F733 PolarHBondContact O-N 3.43Å; D731-F733 VanDerWaalsContact C-N 3.28Å; D731-F733 PolarHBondContact O-N 2.91Å; F733-C735 VanDerWaalsContact C-N 3.28Å; F733-C735 PolarHBondContact O-N 2.93Å
734	H	98.6	Very high	98.5	Very high	155 Å²	155	64 Å²	64	72%	0.718	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	41.1	179.7	-52.4	87.2	0	0	0	113.6	A730 D731 R736	A730-H734 CarbonylContact O-C 3.56Å; A730-H734 VanDerWaalsContact O-CA 3.3Å; A730-H734 WeakPolarHBondContact O-CA 3.4Å; A730-H734 PolarHBondContact O-N 3.32Å; D731-H734 PolarHBondContact O-N 3.12Å; H734-R736 PolarHBondContact O-N 3.18Å
735	C	98.7	Very high	98.5	Very high	12 Å²	12	71.7 Å²	71.7	8%	0.081	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-69	126.6	-176.9	-62.7	0	0	0	0	112.2	C80 A730 F733 N742	C80-C735 VanDerWaalsContact CA-SG 3.6Å; C80-C735 HydrophobicContact CB-CB 3.66Å; C80-C735 WeakPolarHBondContact CB-SG 3.08Å; C80-C735 WeakPolarHBondContact SG-CA 3.45Å; C80-C735 WeakPolarHBondContact SG-CB 3.45Å; C80-C735 CovalentContact SG-SG 2.04Å; C80-C735 PolarHBondContact SG-SG 2.8Å; A730-C735 HydrophobicContact CB-CB 4.1Å; A730-C735 PolarHBondContact O-N 2.89Å; F733-C735 VanDerWaalsContact C-N 3.28Å; F733-C735 PolarHBondContact O-N 2.93Å; C735-N742 HydrophobicContact CB-CB 3.81Å; C735-N742 PolarHBondContact O-ND2 3.2Å
736	R	98.3	Very high	98.5	Very high	216 Å²	216	73.8 Å²	73.8	82%	0.815	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-58.4	144.1	175.4	-63	-177.3	-174.3	178.7	3.1	110.5	H734 N738 S739	H734-R736 PolarHBondContact O-N 3.18Å; R736-N738 PolarHBondContact O-N 3.35Å; R736-S739 WeakPolarHBondContact O-CB 3.19Å; R736-S739 PolarHBondContact O-N 3.41Å; R736-S739 PolarHBondContact O-OG 2.89Å
737	K	97.5	Very high	98.5	Very high	192 Å²	192	73.7 Å²	73.7	84%	0.835	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	135.3	172.9	-65.4	-172.7	178	-172.1	0	109.9	S739	K737-S739 PolarHBondContact O-N 3.33Å
738	N	97.3	Very high	98.5	Very high	107 Å²	107	77.3 Å²	77.3	57%	0.572	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	18.1	-178.9	-61.4	-36.4	0	0	0	115.1	R736 N742 E744	R736-N738 PolarHBondContact O-N 3.35Å; N738-N742 WeakPolarHBondContact CA-O 3.04Å; N738-N742 PolarHBondContact N-O 2.91Å; N738-E744 VanDerWaalsContact OD1-CB 3.29Å; N738-E744 WeakPolarHBondContact OD1-CB 3.01Å; N738-E744 PolarHBondContact OD1-N 2.83Å
739	S	98.3	Very high	98.4	Very high	27 Å²	27	74 Å²	74	19%	0.189	33%	0.334	C	S	.	.	S	Bend	trans	-64.5	159.9	156.8	57.8	0	0	0	0	109.7	R736 K737 M741 N742	R736-S739 WeakPolarHBondContact O-CB 3.19Å; R736-S739 PolarHBondContact O-N 3.41Å; R736-S739 PolarHBondContact O-OG 2.89Å; K737-S739 PolarHBondContact O-N 3.33Å; S739-M741 PolarHBondContact O-N 2.04Å; S739-N742 CarbonylContact O-C 3.24Å; S739-N742 VanDerWaalsContact O-C 3.24Å; S739-N742 PolarHBondContact O-N 3.2Å; S739-N742 WeakPolarHBondContact OG-CB 3.27Å
740	Y	98.6	Very high	98.4	Very high	109 Å²	109	74.5 Å²	74.5	43%	0.427	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-38.6	-176.5	178.8	-102.3	0	0	0	112.7	T81 I720 Q724	T81-Y740 WeakPolarHBondContact O-CB 2.96Å; T81-Y740 WeakPolarHBondContact O-CD1 3.27Å; I720-Y740 HydrophobicContact CD1-CE1 4.33Å; I720-Y740 HydrophobicContact CG1-CE1 4.47Å; I720-Y740 HydrophobicContact CG2-CE1 3.6Å; Q724-Y740 WeakPolarHBondContact CG-O 3.46Å; Q724-Y740 PolarHBondContact NE2-O 2.77Å
741	M	98.8	Very high	98.4	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.6	177.4	-59.7	-61.4	-53.2	0	0	114	C80 F83 I720 L723 F729 S739	C80-M741 WeakPolarHBondContact O-CB 3.3Å; C80-M741 WeakPolarHBondContact O-CG 3.47Å; C80-M741 PolarHBondContact O-N 2.72Å; F83-M741 HydrophobicContact CB-CE 3.65Å; F83-M741 HydrophobicContact CB-CG 4.35Å; F83-M741 HydrophobicContact CB-SD 4.13Å; I720-M741 HydrophobicContact CG1-SD 4.28Å; I720-M741 HydrophobicContact CG2-SD 4.23Å; L723-M741 HydrophobicContact CB-CE 3.68Å; L723-M741 HydrophobicContact CD1-CE 4.49Å; F729-M741 HydrophobicContact CE1-CB 3.83Å; F729-M741 HydrophobicContact CE1-CE 4.24Å; F729-M741 HydrophobicContact CZ-CB 4.49Å; F729-M741 HydrophobicContact CZ-CE 4.46Å; S739-M741 PolarHBondContact O-N 2.04Å
742	N	98.8	Very high	98.4	Very high	20 Å²	20	75.9 Å²	75.9	11%	0.107	34%	0.336	C	S	.	.	S	Bend	trans	-134.9	64.4	176.8	-168.9	20.7	0	0	0	112	A730 C735 N738 S739 K746	A730-N742 HydrophobicContact CB-CB 4.06Å; A730-N742 VanDerWaalsContact CB-CG 3.49Å; C735-N742 HydrophobicContact CB-CB 3.81Å; C735-N742 PolarHBondContact O-ND2 3.2Å; N738-N742 WeakPolarHBondContact CA-O 3.04Å; N738-N742 PolarHBondContact N-O 2.91Å; S739-N742 CarbonylContact O-C 3.24Å; S739-N742 VanDerWaalsContact O-C 3.24Å; S739-N742 PolarHBondContact O-N 3.2Å; S739-N742 WeakPolarHBondContact OG-CB 3.27Å; N742-K746 VanDerWaalsContact OD1-CE 3.27Å; N742-K746 WeakPolarHBondContact OD1-CE 3.2Å; N742-K746 PolarHBondContact OD1-NZ 3.07Å
743	P	98.4	Very high	98.4	Very high	33 Å²	33	79.6 Å²	79.6	21%	0.214	35%	0.35	C	S	.	.			trans	-63.9	147.1	173	29.6	-35.4	0	0	0	110.7	Q724 R745	Q724-P743 HydrophobicContact CB-CG 3.89Å; Q724-P743 HydrophobicContact CG-CG 4.15Å; P743-R745 VanDerWaalsContact C-N 3.34Å
744	E	97.6	Very high	98.3	Very high	167 Å²	167	83.4 Å²	83.4	78%	0.78	37%	0.367	S	S	*	.	S	Bend	trans	-62.9	-39.8	176.1	179.1	171.1	-166.9	0	0	112.3	N738	N738-E744 VanDerWaalsContact OD1-CB 3.29Å; N738-E744 WeakPolarHBondContact OD1-CB 3.01Å; N738-E744 PolarHBondContact OD1-N 2.83Å
745	R	98	Very high	98.3	Very high	178 Å²	178	78.9 Å²	78.9	67%	0.672	35%	0.345	S	S	*	.			trans	-85.8	115.6	174.3	-174.4	177.7	-179.5	177.6	1.2	109.6	P743	P743-R745 VanDerWaalsContact C-N 3.34Å
746	K	98.7	Very high	98.3	Very high	62 Å²	62	83.3 Å²	83.3	27%	0.27	36%	0.362	S	S	.	.			trans	-114.2	131.2	175.4	-62.3	-179.1	-179.2	-80.9	0	109.5	Q724 S726 N742	Q724-K746 PolarHBondContact O-NZ 3.2Å; S726-K746 PolarHBondContact O-NZ 3.01Å; N742-K746 VanDerWaalsContact OD1-CE 3.27Å; N742-K746 WeakPolarHBondContact OD1-CE 3.2Å; N742-K746 PolarHBondContact OD1-NZ 3.07Å
747	C	98.8	Very high	98.3	Very high	9 Å²	9	73.9 Å²	73.9	6%	0.061	33%	0.33	C	S	.	.			trans	-85.1	137.3	176.6	-56.4	0	0	0	0	110.3	C621 M622 N725	C621-C747 HydrophobicContact CB-CB 3.66Å; C621-C747 WeakPolarHBondContact CB-SG 3.48Å; C621-C747 PolarHBondContact O-SG 2.9Å; C621-C747 VanDerWaalsContact O-SG 3.35Å; C621-C747 WeakPolarHBondContact SG-CA 3.4Å; C621-C747 WeakPolarHBondContact SG-CB 3.29Å; C621-C747 CovalentContact SG-SG 2.05Å; C621-C747 PolarHBondContact SG-SG 3.35Å; M622-C747 HydrophobicContact CE-CB 4.11Å; M622-C747 HydrophobicContact CG-CB 3.6Å; N725-C747 WeakPolarHBondContact CB-O 3.33Å; N725-C747 PolarHBondContact OD1-N 3.41Å
748	R	98.6	Very high	98.3	Very high	118 Å²	118	64.8 Å²	64.8	45%	0.445	29%	0.291	S	S	.	.			trans	-149.7	128.7	176.4	-176	172.6	176.6	-165.9	-8.6	111.1	W750	R748-W750 PolarHBondContact NE-O 3.23Å
749	V	98.7	Very high	98.4	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.012	27%	0.268	C	S	.	.			trans	-107.9	-68.9	170.2	-175	0	0	0	0	108.5	W460 F615 Q618 M622 I649	W460-V749 HydrophobicContact CH2-CG1 4.24Å; W460-V749 HydrophobicContact CZ2-CG1 3.93Å; W460-V749 VanDerWaalsContact CZ2-O 3.29Å; W460-V749 WeakPolarHBondContact CZ2-O 3.48Å; W460-V749 PolarHBondContact NE1-O 3.18Å; F615-V749 HydrophobicContact CD2-CG1 3.89Å; F615-V749 HydrophobicContact CE2-CG1 3.66Å; Q618-V749 HydrophobicContact CB-CG2 4.04Å; M622-V749 HydrophobicContact CE-CG2 4.3Å; M622-V749 HydrophobicContact SD-CG2 4.41Å; I649-V749 HydrophobicContact CG1-CG2 4.28Å; I649-V749 HydrophobicContact CG2-CB 4.47Å
750	W	98.1	Very high	98.4	Very high	10 Å²	10	64.4 Å²	64.4	4%	0.038	28%	0.275	C	S	.	.			trans	-94.5	0	-177.8	-58.1	111.2	0	0	0	114.1	F451 T454 L455 L458 W460 M461 T587 F590 W607 F615 R748	F451-W750 HydrophobicContact CE2-CD2 4.26Å; F451-W750 HydrophobicContact CE2-CE3 4.01Å; F451-W750 HydrophobicContact CE2-CG 4.47Å; F451-W750 HydrophobicContact CZ-CE3 4Å; F451-W750 HydrophobicContact CZ-CZ3 4.22Å; T454-W750 WeakPolarHBondContact CG2-OXT 3.35Å; L455-W750 HydrophobicContact CD2-CE3 4.41Å; L455-W750 HydrophobicContact CD2-CZ3 3.98Å; L458-W750 HydrophobicContact CD1-CE3 3.69Å; L458-W750 HydrophobicContact CD1-CZ3 3.9Å; W460-W750 AromaticContact CH2-CH2 3.9Å; W460-W750 HydrophobicContact CH2-CH2 3.9Å; W460-W750 HydrophobicContact CH2-CZ2 4.1Å; W460-W750 HydrophobicContact CH2-CZ3 4.24Å; W460-W750 HydrophobicContact CZ2-CE3 4.33Å; W460-W750 HydrophobicContact CZ2-CH2 4.26Å; W460-W750 HydrophobicContact CZ2-CZ2 4.47Å; W460-W750 HydrophobicContact CZ2-CZ3 4.18Å; M461-W750 HydrophobicContact CE-CH2 4.16Å; M461-W750 HydrophobicContact CE-CZ3 4.21Å; M461-W750 HydrophobicContact SD-CH2 3.96Å; M461-W750 HydrophobicContact SD-CZ3 3.68Å; T587-W750 HydrophobicContact CG2-CB 4.43Å; T587-W750 VanDerWaalsContact CG2-CD1 3.43Å; T587-W750 HydrophobicContact CG2-CG 4.09Å; F590-W750 HydrophobicContact CB-CD2 4.24Å; F590-W750 HydrophobicContact CB-CH2 3.94Å; F590-W750 HydrophobicContact CB-CZ2 3.41Å; F590-W750 VanDerWaalsContact CB-CZ2 3.41Å; F590-W750 HydrophobicContact CD1-CH2 4.3Å; F590-W750 HydrophobicContact CG-CH2 4.44Å; F590-W750 HydrophobicContact CG-CZ2 4.36Å; F590-W750 VanDerWaalsContact O-CE2 3.26Å; F590-W750 WeakPolarHBondContact O-CZ2 3.33Å; F590-W750 PolarHBondContact O-NE1 3.37Å; W607-W750 AromaticContact CH2-CH2 3.62Å; W607-W750 HydrophobicContact CH2-CH2 3.62Å; W607-W750 AromaticContact CH2-CZ2 3.9Å; W607-W750 HydrophobicContact CH2-CZ2 3.9Å; W607-W750 HydrophobicContact CZ2-CH2 4.09Å; W607-W750 HydrophobicContact CZ2-CZ2 4.28Å; F615-W750 HydrophobicContact CD2-CZ2 4.08Å; F615-W750 AromaticContact CE2-CZ2 3.82Å; F615-W750 HydrophobicContact CE2-CZ2 3.82Å; F615-W750 AromaticContact CE2-NE1 3.99Å; R748-W750 PolarHBondContact NE-O 3.23Å

Retrieved 750 of 750 residues in 507.1 ms (Link to these results)

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