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Peroxidase 53

Removal of H(2)O(2), oxidation of toxic reductants, biosynthesis and degradation of lignin, suberization, auxin catabolism, response to environmental stresses such as wounding, pathogen attack and oxidative stress. These functions might be dependent on each isozyme/isoform in each plant tissue. Closely linked to lignin formation by showing monolignol substrate specificity.

AlphaFold DB , UniProt , Accession Q42578, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene PER53, Length 335 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	44.7	Very low	49.5	Very low	237 Å²	237	123.5 Å²	123.5	100%	1.167	74%	0.743	S	S	*	*				0	105.5	0	-78.1	179.4	-84.1	0	0	107.3
2	A	40.6	Very low	50.1	Low	98 Å²	98	124.7 Å²	124.7	81%	0.81	74%	0.741	S	S	*	*			trans	-81.6	113.8	177.5	0	0	0	0	0	108.1	T4	A2-T4 PolarHBondContact O-N 2.03Å
3	V	42.2	Very low	50.9	Low	121 Å²	121	127.6 Å²	127.6	73%	0.733	74%	0.739	S	S	*	*			trans	-87.4	97.7	173.7	-176.4	0	0	0	0	107.1	N5	V3-N5 PolarHBondContact O-N 2.72Å
4	T	46.9	Very low	51.9	Low	116 Å²	116	126.1 Å²	126.1	71%	0.712	73%	0.725	S	S	*	*			trans	-81	106	166.5	48.5	0	0	0	0	108.1	A2 L6	A2-T4 PolarHBondContact O-N 2.03Å; T4-L6 PolarHBondContact O-N 3.13Å
5	N	46.2	Very low	52.9	Low	149 Å²	149	125.1 Å²	125.1	80%	0.797	72%	0.715	S	S	*	*			trans	-70.9	111.1	169.2	-79.6	-23.9	0	0	0	108.7	V3	V3-N5 PolarHBondContact O-N 2.72Å
6	L	46.4	Very low	53.8	Low	147 Å²	147	121.4 Å²	121.4	77%	0.77	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-74.3	136	162.3	-104.2	83.3	0	0	0	108.8	T4 T8	T4-L6 PolarHBondContact O-N 3.13Å; L6-T8 PolarHBondContact O-N 3.3Å
7	P	52.7	Low	54.5	Low	123 Å²	123	120.5 Å²	120.5	80%	0.799	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-69.7	126.7	169	28.6	-29.7	0	0	0	109
8	T	53.6	Low	55.1	Low	104 Å²	104	119.4 Å²	119.4	64%	0.638	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-70.3	130.5	-178.8	45.8	0	0	0	0	110.7	L6 D10 G11	L6-T8 PolarHBondContact O-N 3.3Å; T8-D10 PolarHBondContact O-N 2.98Å; T8-G11 PolarHBondContact O-N 3.39Å
9	C	58.5	Low	55.6	Low	106 Å²	106	117.8 Å²	117.8	72%	0.716	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-17.8	175.9	-90.6	0	0	0	0	113.8	G11 L12	C9-G11 VanDerWaalsContact C-N 3.33Å; C9-G11 PolarHBondContact O-N 3.41Å; C9-L12 PolarHBondContact O-N 3.28Å
10	D	56.9	Low	56.1	Low	120 Å²	120	116.5 Å²	116.5	64%	0.642	66%	0.663	S	S	*	*	H	α-helix	trans	-67.3	-30.5	-176	-58.5	-34.3	0	0	0	113.4	T8 F13 I14	T8-D10 PolarHBondContact O-N 2.98Å; D10-F13 PolarHBondContact O-N 3.15Å; D10-I14 PolarHBondContact O-N 3.45Å
11	G	56.1	Low	56.3	Low	38 Å²	38	114.2 Å²	114.2	39%	0.392	65%	0.652	S	S	.	*	H	α-helix	trans	-68.7	-36.2	-179.6	0	0	0	0	0	113.4	T8 C9 I15	T8-G11 PolarHBondContact O-N 3.39Å; C9-G11 VanDerWaalsContact C-N 3.33Å; C9-G11 PolarHBondContact O-N 3.41Å; G11-I15 VanDerWaalsContact O-CG1 3.3Å; G11-I15 WeakPolarHBondContact O-CG1 3.41Å; G11-I15 PolarHBondContact O-N 2.94Å
12	L	55.8	Low	57	Low	137 Å²	137	106.7 Å²	106.7	72%	0.717	62%	0.622	S	S	*	*	H	α-helix	trans	-71.1	-33.6	178.5	-88.2	149.2	0	0	0	112.1	C9 S16	C9-L12 PolarHBondContact O-N 3.28Å; L12-S16 WeakPolarHBondContact O-CB 3.48Å; L12-S16 PolarHBondContact O-N 3.46Å; L12-S16 VanDerWaalsContact O-N 3.13Å
13	F	60.8	Low	57.8	Low	163 Å²	163	106.3 Å²	106.3	72%	0.715	61%	0.613	S	S	*	*	H	α-helix	trans	-70.7	-40.6	178.6	-134.9	-85.6	0	0	0	112	D10 S16 L17	D10-F13 PolarHBondContact O-N 3.15Å; F13-S16 PolarHBondContact O-N 2.94Å; F13-L17 PolarHBondContact O-N 3.11Å
14	I	64.6	Low	58.6	Low	107 Å²	107	106.5 Å²	106.5	55%	0.549	61%	0.609	S	S	.	*	H	α-helix	trans	-66.7	-41.4	177	-71.7	-168.7	0	0	0	111.7	D10 S16 L17 I18	D10-I14 PolarHBondContact O-N 3.45Å; I14-S16 VanDerWaalsContact C-N 3.34Å; I14-S16 PolarHBondContact O-N 2.93Å; I14-L17 PolarHBondContact O-N 3.39Å; I14-I18 HydrophobicContact CG2-CD1 3.81Å; I14-I18 HydrophobicContact CG2-CG1 4.45Å; I14-I18 WeakPolarHBondContact O-CG1 3.34Å; I14-I18 PolarHBondContact O-N 3.06Å
15	I	66.8	Low	58.6	Low	110 Å²	110	108.3 Å²	108.3	56%	0.564	61%	0.607	S	S	*	*	H	α-helix	trans	-63.3	-42.7	177.2	-67.7	169	0	0	0	110.6	G11 L17 I18 V19	G11-I15 VanDerWaalsContact O-CG1 3.3Å; G11-I15 WeakPolarHBondContact O-CG1 3.41Å; G11-I15 PolarHBondContact O-N 2.94Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.32Å; I15-I18 PolarHBondContact O-N 3.09Å; I15-V19 WeakPolarHBondContact O-CG2 3.38Å; I15-V19 PolarHBondContact O-N 2.81Å; I15-V19 VanDerWaalsContact O-N 3.09Å
16	S	68.4	Low	58.6	Low	66 Å²	66	104.1 Å²	104.1	46%	0.462	60%	0.599	S	S	.	*	H	α-helix	trans	-62.1	-40.5	176.4	-165.8	0	0	0	0	112.1	L12 F13 I14 V19 I20	L12-S16 WeakPolarHBondContact O-CB 3.48Å; L12-S16 PolarHBondContact O-N 3.46Å; L12-S16 VanDerWaalsContact O-N 3.13Å; F13-S16 PolarHBondContact O-N 2.94Å; I14-S16 VanDerWaalsContact C-N 3.34Å; I14-S16 PolarHBondContact O-N 2.93Å; S16-V19 PolarHBondContact O-N 3.27Å; S16-I20 VanDerWaalsContact O-CG1 3.29Å; S16-I20 WeakPolarHBondContact O-CG1 3.27Å; S16-I20 PolarHBondContact O-N 3.04Å
17	L	64.8	Low	58.6	Low	106 Å²	106	103.5 Å²	103.5	56%	0.555	60%	0.602	S	S	*	*	H	α-helix	trans	-65.9	-40.5	177.3	-155.7	80	0	0	0	112.4	F13 I14 I15 I20 V21	F13-L17 PolarHBondContact O-N 3.11Å; I14-L17 PolarHBondContact O-N 3.39Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.32Å; L17-I20 PolarHBondContact O-N 3.01Å; L17-V21 VanDerWaalsContact O-CG2 3.29Å; L17-V21 WeakPolarHBondContact O-CG2 3.36Å; L17-V21 PolarHBondContact O-N 3.42Å
18	I	65.3	Low	58.7	Low	102 Å²	102	103 Å²	103	52%	0.523	60%	0.602	S	S	.	*	H	α-helix	trans	-65.7	-39.6	177.7	-69	168.9	0	0	0	111.4	I14 I15 V21 S22	I14-I18 HydrophobicContact CG2-CD1 3.81Å; I14-I18 HydrophobicContact CG2-CG1 4.45Å; I14-I18 WeakPolarHBondContact O-CG1 3.34Å; I14-I18 PolarHBondContact O-N 3.06Å; I15-I18 PolarHBondContact O-N 3.09Å; I18-V21 PolarHBondContact O-N 3.36Å; I18-S22 WeakPolarHBondContact O-CB 3.36Å; I18-S22 PolarHBondContact O-N 3.05Å; I18-S22 PolarHBondContact O-OG 3.32Å
19	V	65.4	Low	58.9	Low	88 Å²	88	102.9 Å²	102.9	53%	0.533	61%	0.605	S	S	.	*	H	α-helix	trans	-66.3	-40.6	176.4	174.1	0	0	0	0	111	I15 S16 S22 S23	I15-V19 WeakPolarHBondContact O-CG2 3.38Å; I15-V19 PolarHBondContact O-N 2.81Å; I15-V19 VanDerWaalsContact O-N 3.09Å; S16-V19 PolarHBondContact O-N 3.27Å; V19-S22 PolarHBondContact O-N 3.12Å; V19-S23 PolarHBondContact O-N 3.33Å; V19-S23 PolarHBondContact O-OG 3.33Å
20	I	64.3	Low	59.6	Low	92 Å²	92	99.7 Å²	99.7	47%	0.472	59%	0.586	S	S	.	*	H	α-helix	trans	-65.1	-44.8	175.9	-67.7	166.9	0	0	0	110.8	S16 L17 S22 S23 I24	S16-I20 VanDerWaalsContact O-CG1 3.29Å; S16-I20 WeakPolarHBondContact O-CG1 3.27Å; S16-I20 PolarHBondContact O-N 3.04Å; L17-I20 PolarHBondContact O-N 3.01Å; I20-S22 VanDerWaalsContact C-N 3.32Å; I20-S22 PolarHBondContact O-N 3.3Å; I20-S23 WeakPolarHBondContact O-CB 2.98Å; I20-S23 PolarHBondContact O-N 3.42Å; I20-S23 VanDerWaalsContact O-N 3.08Å; I20-I24 HydrophobicContact CG2-CD1 4.01Å; I20-I24 VanDerWaalsContact O-CG1 3.29Å; I20-I24 WeakPolarHBondContact O-CG1 3.49Å; I20-I24 PolarHBondContact O-N 2.88Å
21	V	61.1	Low	61.2	Low	69 Å²	69	102.1 Å²	102.1	42%	0.418	59%	0.593	S	S	.	*	H	α-helix	trans	-62.4	-39.4	176.9	173.3	0	0	0	0	111.5	L17 I18 S23 I24 F25	L17-V21 VanDerWaalsContact O-CG2 3.29Å; L17-V21 WeakPolarHBondContact O-CG2 3.36Å; L17-V21 PolarHBondContact O-N 3.42Å; I18-V21 PolarHBondContact O-N 3.36Å; V21-S23 PolarHBondContact O-N 3.47Å; V21-I24 PolarHBondContact O-N 3.47Å; V21-F25 HydrophobicContact CG1-CD2 4.2Å; V21-F25 HydrophobicContact CG1-CE2 3.69Å; V21-F25 WeakPolarHBondContact O-CD2 3.36Å; V21-F25 PolarHBondContact O-N 3.47Å
22	S	59.2	Low	63.2	Low	78 Å²	78	101.4 Å²	101.4	55%	0.545	58%	0.581	S	S	.	*	H	α-helix	trans	-66.9	-24.8	175.5	-53.4	0	0	0	0	113.1	I18 V19 I20	I18-S22 WeakPolarHBondContact O-CB 3.36Å; I18-S22 PolarHBondContact O-N 3.05Å; I18-S22 PolarHBondContact O-OG 3.32Å; V19-S22 PolarHBondContact O-N 3.12Å; I20-S22 VanDerWaalsContact C-N 3.32Å; I20-S22 PolarHBondContact O-N 3.3Å
23	S	58.5	Low	65.2	Low	90 Å²	90	97.6 Å²	97.6	63%	0.629	56%	0.561	S	S	*	*	H	α-helix	trans	-82.1	-21.3	177	-50.6	0	0	0	0	113	V19 I20 V21	V19-S23 PolarHBondContact O-N 3.33Å; V19-S23 PolarHBondContact O-OG 3.33Å; I20-S23 WeakPolarHBondContact O-CB 2.98Å; I20-S23 PolarHBondContact O-N 3.42Å; I20-S23 VanDerWaalsContact O-N 3.08Å; V21-S23 PolarHBondContact O-N 3.47Å
24	I	58	Low	67	Low	125 Å²	125	92 Å²	92	64%	0.641	54%	0.544	S	S	*	.	H	α-helix	trans	-81.1	-28	178.9	-62.6	162.6	0	0	0	110.7	I20 V21 G26	I20-I24 HydrophobicContact CG2-CD1 4.01Å; I20-I24 VanDerWaalsContact O-CG1 3.29Å; I20-I24 WeakPolarHBondContact O-CG1 3.49Å; I20-I24 PolarHBondContact O-N 2.88Å; V21-I24 PolarHBondContact O-N 3.47Å; I24-G26 VanDerWaalsContact C-N 3.25Å; I24-G26 PolarHBondContact O-N 3.09Å; I24-G26 VanDerWaalsContact O-N 3.09Å
25	F	48.1	Very low	68.6	Low	154 Å²	154	91.2 Å²	91.2	68%	0.675	55%	0.545	S	S	*	.	S	Bend	trans	-85.3	67.3	170.2	-61.7	-70.3	0	0	0	110.6	V21 T27	V21-F25 HydrophobicContact CG1-CD2 4.2Å; V21-F25 HydrophobicContact CG1-CE2 3.69Å; V21-F25 WeakPolarHBondContact O-CD2 3.36Å; V21-F25 PolarHBondContact O-N 3.47Å; F25-T27 PolarHBondContact O-N 3.43Å
26	G	45.2	Very low	70.1	Confident	61 Å²	61	90.3 Å²	90.3	63%	0.629	54%	0.537	S	S	*	.			trans	-55.8	126.9	166.1	0	0	0	0	0	109.3	I24 S28	I24-G26 VanDerWaalsContact C-N 3.25Å; I24-G26 PolarHBondContact O-N 3.09Å; I24-G26 VanDerWaalsContact O-N 3.09Å; G26-S28 PolarHBondContact O-N 3Å
27	T	46.8	Very low	71.5	Confident	135 Å²	135	87.5 Å²	87.5	83%	0.828	52%	0.517	S	S	*	.			trans	-64	100.9	172.9	50	0	0	0	0	108.2	F25 S29	F25-T27 PolarHBondContact O-N 3.43Å; T27-S29 PolarHBondContact O-N 3.26Å
28	S	53.7	Low	73.1	Confident	113 Å²	113	86.3 Å²	86.3	79%	0.79	52%	0.517	S	S	*	.			trans	-70.6	101.4	173.2	68.5	0	0	0	0	108.5	G26 A30	G26-S28 PolarHBondContact O-N 3Å; S28-A30 PolarHBondContact O-N 3.36Å; S28-A30 VanDerWaalsContact O-N 3.09Å
29	S	57.6	Low	74.7	Confident	100 Å²	100	85 Å²	85	70%	0.699	53%	0.528	S	S	*	.			trans	-65.1	109.1	166.5	-68.3	0	0	0	0	107.9	T27 Q31	T27-S29 PolarHBondContact O-N 3.26Å; S29-Q31 PolarHBondContact O-N 3.33Å
30	A	75	Confident	76.3	Confident	40 Å²	40	84.7 Å²	84.7	33%	0.331	53%	0.527	S	S	.	.			trans	-62.5	111.3	175.6	0	0	0	0	0	108.5	S28 T319	S28-A30 PolarHBondContact O-N 3.36Å; S28-A30 VanDerWaalsContact O-N 3.09Å; A30-T319 WeakPolarHBondContact O-CB 3.39Å; A30-T319 WeakPolarHBondContact O-CG2 3.43Å; A30-T319 PolarHBondContact O-OG1 3.27Å
31	Q	90.1	Very high	77.9	Confident	170 Å²	170	80.3 Å²	80.3	79%	0.794	51%	0.505	S	S	*	.			trans	-79.4	139.8	177.2	-68.5	176.5	-23	0	0	109.7	S29 N33	S29-Q31 PolarHBondContact O-N 3.33Å; Q31-N33 PolarHBondContact O-ND2 3.12Å
32	L	98	Very high	79.7	Confident	23 Å²	23	81.6 Å²	81.6	12%	0.12	51%	0.514	C	S	.	.			trans	-61.9	139.5	170.6	-57.5	-174.7	0	0	0	109.7	L150 L151 G152 R153 P317 T319	L32-L150 HydrophobicContact CB-CB 3.91Å; L32-L151 CarbonylContact C-O 3.57Å; L32-L151 WeakPolarHBondContact CA-O 3.36Å; L32-G152 VanDerWaalsContact CD2-C 3.42Å; L32-R153 HydrophobicContact CD1-CG 3.87Å; L32-R153 HydrophobicContact CD2-CG 3.78Å; L32-P317 HydrophobicContact CD1-CB 3.95Å; L32-P317 HydrophobicContact CD1-CG 3.92Å; L32-P317 HydrophobicContact CD2-CB 4.23Å; L32-P317 HydrophobicContact CD2-CG 4.45Å; L32-P317 HydrophobicContact CG-CB 4.34Å; L32-P317 HydrophobicContact CG-CG 4.14Å; L32-T319 HydrophobicContact CD2-CG2 3.81Å
33	N	97.9	Very high	81.5	Confident	58 Å²	58	83 Å²	83	31%	0.31	52%	0.515	S	S	.	.	B	Isolated β-bridge	trans	-148.8	155.1	179.6	70.5	89.1	0	0	0	111.9	Q31 T35 F36 L151	Q31-N33 PolarHBondContact O-ND2 3.12Å; N33-T35 PolarHBondContact O-N 3.01Å; N33-T35 PolarHBondContact OD1-N 3.09Å; N33-T35 VanDerWaalsContact OD1-N 3.14Å; N33-T35 PolarHBondContact OD1-OG1 3.22Å; N33-F36 PolarHBondContact OD1-N 2.98Å; N33-L151 PolarHBondContact N-O 3.06Å; N33-L151 PolarHBondContact O-N 3.13Å
34	A	98.1	Very high	83.5	Confident	44 Å²	44	78.9 Å²	78.9	36%	0.364	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.9	-176	0	0	0	0	0	114.1	T148 L150	A34-T148 HydrophobicContact CB-CG2 3.27Å; A34-L150 HydrophobicContact CB-CD2 4.49Å
35	T	98.1	Very high	85.4	Confident	91 Å²	91	75.9 Å²	75.9	56%	0.558	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	10.7	-171.4	49.2	0	0	0	0	113.4	N33 Y37 S38	N33-T35 PolarHBondContact O-N 3.01Å; N33-T35 PolarHBondContact OD1-N 3.09Å; N33-T35 VanDerWaalsContact OD1-N 3.14Å; N33-T35 PolarHBondContact OD1-OG1 3.22Å; T35-Y37 PolarHBondContact O-N 3.35Å; T35-Y37 VanDerWaalsContact O-N 3.12Å; T35-S38 VanDerWaalsContact O-CB 3.27Å; T35-S38 WeakPolarHBondContact O-CB 3.27Å; T35-S38 PolarHBondContact O-N 2.86Å; T35-S38 PolarHBondContact O-OG 3.37Å
36	F	98.5	Very high	87.8	Confident	91 Å²	91	71.3 Å²	71.3	40%	0.399	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-39.1	-170.7	-171.3	-90.8	0	0	0	113	N33 L151 G152	N33-F36 PolarHBondContact OD1-N 2.98Å; F36-L151 HydrophobicContact CB-CB 3.84Å; F36-G152 VanDerWaalsContact CD2-CA 3.48Å
37	Y	98.6	Very high	90.4	Very high	8 Å²	8	70 Å²	70	3%	0.031	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	6.5	179.2	-62.2	-55.1	0	0	0	115	T35 G39 T40 C41 V124 V125 S126 D129 L151	T35-Y37 PolarHBondContact O-N 3.35Å; T35-Y37 VanDerWaalsContact O-N 3.12Å; Y37-G39 PolarHBondContact O-N 3.44Å; Y37-G39 VanDerWaalsContact O-N 3.15Å; Y37-T40 PolarHBondContact O-N 2.94Å; Y37-T40 VanDerWaalsContact O-N 3.12Å; Y37-C41 CarbonylContact O-C 3.56Å; Y37-C41 WeakPolarHBondContact O-CA 3.5Å; Y37-C41 PolarHBondContact O-N 3.27Å; Y37-V124 HydrophobicContact CD1-CG1 3.59Å; Y37-V124 HydrophobicContact CE1-CG1 3.8Å; Y37-V124 VanDerWaalsContact CE1-O 3.31Å; Y37-V124 WeakPolarHBondContact CE1-O 3.35Å; Y37-V125 HydrophobicContact CD1-CG2 4.37Å; Y37-V125 HydrophobicContact CD2-CG2 4.32Å; Y37-V125 HydrophobicContact CE1-CG2 4.28Å; Y37-V125 HydrophobicContact CE2-CB 4.42Å; Y37-V125 HydrophobicContact CE2-CG1 3.89Å; Y37-V125 HydrophobicContact CE2-CG2 4.25Å; Y37-V125 HydrophobicContact CG-CG2 4.4Å; Y37-S126 PolarHBondContact OH-N 3.15Å; Y37-S126 VanDerWaalsContact OH-N 3.16Å; Y37-D129 HydrophobicContact CE2-CB 4.08Å; Y37-D129 WeakPolarHBondContact CE2-OD2 3.36Å; Y37-D129 PolarHBondContact OH-OD2 3.44Å; Y37-D129 VanDerWaalsContact OH-OD2 3.07Å; Y37-L151 HydrophobicContact CD2-CB 4.31Å; Y37-L151 HydrophobicContact CD2-CD1 3.91Å; Y37-L151 HydrophobicContact CE2-CB 4.17Å; Y37-L151 HydrophobicContact CE2-CD1 4.42Å
38	S	98	Very high	92.9	Very high	80 Å²	80	63.6 Å²	63.6	56%	0.559	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.5	-174.9	58.1	0	0	0	0	113.9	T35	T35-S38 VanDerWaalsContact O-CB 3.27Å; T35-S38 WeakPolarHBondContact O-CB 3.27Å; T35-S38 PolarHBondContact O-N 2.86Å; T35-S38 PolarHBondContact O-OG 3.37Å
39	G	98.2	Very high	95	Very high	74 Å²	74	62.1 Å²	62.1	76%	0.763	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.1	178.4	0	0	0	0	0	115.6	Y37	Y37-G39 PolarHBondContact O-N 3.44Å; Y37-G39 VanDerWaalsContact O-N 3.15Å
40	T	98.6	Very high	97	Very high	82 Å²	82	60.8 Å²	60.8	50%	0.503	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-35.3	-170.7	52.1	0	0	0	0	113.4	Y37 V124	Y37-T40 PolarHBondContact O-N 2.94Å; Y37-T40 VanDerWaalsContact O-N 3.12Å; T40-V124 WeakPolarHBondContact OG1-CG1 3.39Å
41	C	98.8	Very high	98.1	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.007	36%	0.364	C	S	.	.			trans	-144.7	69.4	172.9	-163	0	0	0	0	110.8	Y37 N43 A44 C121 V124 V125	Y37-C41 CarbonylContact O-C 3.56Å; Y37-C41 WeakPolarHBondContact O-CA 3.5Å; Y37-C41 PolarHBondContact O-N 3.27Å; C41-N43 PolarHBondContact O-N 2.93Å; C41-N43 VanDerWaalsContact O-N 3.09Å; C41-A44 HydrophobicContact CB-CB 4.23Å; C41-A44 WeakPolarHBondContact O-CB 3.49Å; C41-A44 PolarHBondContact O-N 2.81Å; C41-C121 WeakPolarHBondContact CA-SG 2.97Å; C41-C121 HydrophobicContact CB-CB 3.52Å; C41-C121 WeakPolarHBondContact CB-SG 3.47Å; C41-C121 WeakPolarHBondContact SG-CB 3.4Å; C41-C121 CovalentContact SG-SG 2.03Å; C41-C121 PolarHBondContact SG-SG 3.05Å; C41-V124 HydrophobicContact CB-CG1 3.94Å; C41-V125 HydrophobicContact CB-CG2 3.94Å
42	P	98.4	Very high	98.5	Very high	95 Å²	95	51.7 Å²	51.7	62%	0.617	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.5	-171	22.1	-33.5	0	0	0	114
43	N	98.5	Very high	98.6	Very high	107 Å²	107	55.3 Å²	55.3	57%	0.572	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	11.1	-179.4	-69.7	-36.6	0	0	0	113.9	C41 S45 A46 I47	C41-N43 PolarHBondContact O-N 2.93Å; C41-N43 VanDerWaalsContact O-N 3.09Å; N43-S45 PolarHBondContact O-N 3.43Å; N43-A46 PolarHBondContact O-N 3.43Å; N43-A46 VanDerWaalsContact O-N 3.11Å; N43-I47 HydrophobicContact CB-CD1 4.21Å; N43-I47 HydrophobicContact CB-CG1 4.41Å; N43-I47 WeakPolarHBondContact O-CG1 3.35Å; N43-I47 PolarHBondContact O-N 2.8Å
44	A	98.7	Very high	98.6	Very high	4 Å²	4	59.4 Å²	59.4	3%	0.033	36%	0.36	C	S	.	.	H	α-helix	trans	-52.2	-51.8	-174.5	0	0	0	0	0	113	C41 A46 I47 V48 L117 V125 L133	C41-A44 HydrophobicContact CB-CB 4.23Å; C41-A44 WeakPolarHBondContact O-CB 3.49Å; C41-A44 PolarHBondContact O-N 2.81Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 2.67Å; A44-I47 PolarHBondContact O-N 3.44Å; A44-V48 VanDerWaalsContact O-CG2 3.27Å; A44-V48 WeakPolarHBondContact O-CG2 3.36Å; A44-V48 PolarHBondContact O-N 2.72Å; A44-L117 HydrophobicContact CB-CD2 4Å; A44-V125 HydrophobicContact CB-CG2 4.25Å; A44-L133 HydrophobicContact CB-CD1 4.42Å
45	S	98.7	Very high	98.7	Very high	62 Å²	62	58.1 Å²	58.1	43%	0.434	35%	0.349	S	S	.	.	H	α-helix	trans	-59.8	-41.7	178.9	173.5	0	0	0	0	112.5	N43 V48 R49	N43-S45 PolarHBondContact O-N 3.43Å; S45-V48 PolarHBondContact O-N 3.2Å; S45-R49 WeakPolarHBondContact O-CB 3.44Å; S45-R49 PolarHBondContact O-N 2.78Å
46	A	98.8	Very high	98.7	Very high	59 Å²	59	55.7 Å²	55.7	49%	0.488	33%	0.333	S	S	.	.	H	α-helix	trans	-66.4	-40.4	178.6	0	0	0	0	0	112.4	N43 A44 R49 S50	N43-A46 PolarHBondContact O-N 3.43Å; N43-A46 VanDerWaalsContact O-N 3.11Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 2.67Å; A46-R49 PolarHBondContact O-N 3.35Å; A46-S50 WeakPolarHBondContact O-CB 3.49Å; A46-S50 PolarHBondContact O-N 2.77Å
47	I	98.9	Very high	98.7	Very high	34 Å²	34	58.7 Å²	58.7	17%	0.174	35%	0.348	C	S	.	.	H	α-helix	trans	-62.4	-48.6	175.9	-67.8	164.9	0	0	0	110.2	N43 A44 R49 S50 T51 A116 L117 A120	N43-I47 HydrophobicContact CB-CD1 4.21Å; N43-I47 HydrophobicContact CB-CG1 4.41Å; N43-I47 WeakPolarHBondContact O-CG1 3.35Å; N43-I47 PolarHBondContact O-N 2.8Å; A44-I47 PolarHBondContact O-N 3.44Å; I47-R49 PolarHBondContact O-N 3.23Å; I47-S50 PolarHBondContact O-N 3.01Å; I47-T51 PolarHBondContact O-N 3.12Å; I47-T51 PolarHBondContact O-OG1 3.05Å; I47-T51 VanDerWaalsContact O-OG1 3.09Å; I47-A116 HydrophobicContact CG2-CB 3.69Å; I47-L117 HydrophobicContact CB-CD2 4.05Å; I47-L117 HydrophobicContact CD1-CD2 4.25Å; I47-L117 HydrophobicContact CG2-CD2 3.94Å; I47-L117 HydrophobicContact CG2-CG 4.11Å; I47-A120 HydrophobicContact CD1-CB 3.58Å
48	V	98.9	Very high	98.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-57.2	-50.8	177.4	174	0	0	0	0	110.5	A44 S45 S50 T51 I52 I113 L117 L133 A134 A137	A44-V48 VanDerWaalsContact O-CG2 3.27Å; A44-V48 WeakPolarHBondContact O-CG2 3.36Å; A44-V48 PolarHBondContact O-N 2.72Å; S45-V48 PolarHBondContact O-N 3.2Å; V48-S50 PolarHBondContact O-N 3.12Å; V48-T51 PolarHBondContact O-N 3.16Å; V48-I52 HydrophobicContact CG1-CD1 3.79Å; V48-I52 WeakPolarHBondContact O-CG1 3.45Å; V48-I52 PolarHBondContact O-N 3.14Å; V48-I52 VanDerWaalsContact O-N 3.12Å; V48-I113 HydrophobicContact CB-CG2 4.19Å; V48-I113 HydrophobicContact CG1-CD1 4.48Å; V48-I113 HydrophobicContact CG1-CG2 4.18Å; V48-I113 HydrophobicContact CG2-CG2 3.63Å; V48-L117 HydrophobicContact CG2-CD1 3.95Å; V48-L117 HydrophobicContact CG2-CD2 4.41Å; V48-L117 HydrophobicContact CG2-CG 4.49Å; V48-L133 HydrophobicContact CB-CB 4.27Å; V48-L133 HydrophobicContact CG1-CB 3.95Å; V48-L133 HydrophobicContact CG2-CB 3.98Å; V48-L133 HydrophobicContact CG2-CD1 4.06Å; V48-A134 HydrophobicContact CG1-CB 4.18Å; V48-A137 HydrophobicContact CG1-CB 4.44Å
49	R	98.9	Very high	98.7	Very high	82 Å²	82	61.6 Å²	61.6	31%	0.309	37%	0.367	S	S	.	.	H	α-helix	trans	-58.5	-46.1	179.5	-174.2	-177.7	-178.6	90.1	0.3	112.1	S45 A46 I47 T51 I52 Q53 A137 S140 L141	S45-R49 WeakPolarHBondContact O-CB 3.44Å; S45-R49 PolarHBondContact O-N 2.78Å; A46-R49 PolarHBondContact O-N 3.35Å; I47-R49 PolarHBondContact O-N 3.23Å; R49-T51 PolarHBondContact O-N 3.07Å; R49-I52 PolarHBondContact O-N 2.74Å; R49-Q53 WeakPolarHBondContact O-CB 3.32Å; R49-Q53 PolarHBondContact O-N 2.98Å; R49-A137 HydrophobicContact CB-CB 4.11Å; R49-A137 HydrophobicContact CG-CB 4.33Å; R49-S140 PolarHBondContact NH1-OG 3.06Å; R49-L141 HydrophobicContact CG-CD1 4.07Å; R49-L141 HydrophobicContact CG-CD2 4.37Å; R49-L141 HydrophobicContact CG-CG 4.28Å
50	S	98.9	Very high	98.7	Very high	72 Å²	72	61.9 Å²	61.9	50%	0.503	35%	0.354	S	S	.	.	H	α-helix	trans	-61.1	-44.3	-179.7	-174.9	0	0	0	0	112	A46 I47 V48 I52 Q53 Q54	A46-S50 WeakPolarHBondContact O-CB 3.49Å; A46-S50 PolarHBondContact O-N 2.77Å; I47-S50 PolarHBondContact O-N 3.01Å; V48-S50 PolarHBondContact O-N 3.12Å; S50-I52 VanDerWaalsContact C-N 3.34Å; S50-I52 PolarHBondContact O-N 3.43Å; S50-Q53 PolarHBondContact O-N 2.95Å; S50-Q54 PolarHBondContact O-N 3.14Å
51	T	98.9	Very high	98.7	Very high	18 Å²	18	60.5 Å²	60.5	11%	0.11	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-39.7	179.6	-57.7	0	0	0	0	111.6	I47 V48 R49 Q54 A55 N112 I113	I47-T51 PolarHBondContact O-N 3.12Å; I47-T51 PolarHBondContact O-OG1 3.05Å; I47-T51 VanDerWaalsContact O-OG1 3.09Å; V48-T51 PolarHBondContact O-N 3.16Å; R49-T51 PolarHBondContact O-N 3.07Å; T51-Q54 PolarHBondContact O-N 3.09Å; T51-A55 PolarHBondContact O-N 3.37Å; T51-N112 HydrophobicContact CG2-CB 4.07Å; T51-I113 HydrophobicContact CG2-CB 4.43Å; T51-I113 HydrophobicContact CG2-CG1 3.62Å
52	I	98.9	Very high	98.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-69.5	-42.6	176.9	-64.7	167.6	0	0	0	111	V48 R49 S50 Q54 A55 L56 L66 I113 A134 A137 L141	V48-I52 HydrophobicContact CG1-CD1 3.79Å; V48-I52 WeakPolarHBondContact O-CG1 3.45Å; V48-I52 PolarHBondContact O-N 3.14Å; V48-I52 VanDerWaalsContact O-N 3.12Å; R49-I52 PolarHBondContact O-N 2.74Å; S50-I52 VanDerWaalsContact C-N 3.34Å; S50-I52 PolarHBondContact O-N 3.43Å; I52-Q54 PolarHBondContact O-N 3.1Å; I52-A55 PolarHBondContact O-N 2.67Å; I52-A55 VanDerWaalsContact O-N 3.09Å; I52-L56 HydrophobicContact CG2-CD1 4.1Å; I52-L56 HydrophobicContact CG2-CG 4.4Å; I52-L56 WeakPolarHBondContact O-CG 3.16Å; I52-L56 PolarHBondContact O-N 2.9Å; I52-L66 HydrophobicContact CD1-CD1 3.83Å; I52-L66 HydrophobicContact CG1-CD1 3.74Å; I52-L66 HydrophobicContact CG2-CD1 4.25Å; I52-I113 HydrophobicContact CD1-CD1 3.96Å; I52-I113 HydrophobicContact CG1-CD1 3.73Å; I52-I113 HydrophobicContact CG1-CG1 4.38Å; I52-A134 HydrophobicContact CD1-CB 3.71Å; I52-A137 HydrophobicContact CD1-CB 3.88Å; I52-L141 HydrophobicContact CB-CD1 4.08Å; I52-L141 HydrophobicContact CG2-CD1 3.79Å
53	Q	98.8	Very high	98.8	Very high	99 Å²	99	56.1 Å²	56.1	46%	0.463	31%	0.311	S	S	.	.	H	α-helix	trans	-57.7	-38.2	175.8	-174.6	178.4	4.5	0	0	111.9	R49 S50 Q57 L141	R49-Q53 WeakPolarHBondContact O-CB 3.32Å; R49-Q53 PolarHBondContact O-N 2.98Å; S50-Q53 PolarHBondContact O-N 2.95Å; Q53-Q57 PolarHBondContact O-NE2 3.27Å; Q53-L141 HydrophobicContact CB-CD1 4.09Å; Q53-L141 HydrophobicContact CB-CD2 4.11Å; Q53-L141 HydrophobicContact CG-CD2 4.17Å
54	Q	98.8	Very high	98.8	Very high	145 Å²	145	51.7 Å²	51.7	68%	0.678	29%	0.289	S	S	*	.	H	α-helix	trans	-67.8	-45.6	173.5	-172.6	178.5	29.1	0	0	111.8	S50 T51 I52 L56 Q57	S50-Q54 PolarHBondContact O-N 3.14Å; T51-Q54 PolarHBondContact O-N 3.09Å; I52-Q54 PolarHBondContact O-N 3.1Å; Q54-L56 VanDerWaalsContact C-N 3.28Å; Q54-L56 PolarHBondContact O-N 2.91Å; Q54-Q57 WeakPolarHBondContact O-CB 3.19Å; Q54-Q57 WeakPolarHBondContact O-CG 3.41Å; Q54-Q57 PolarHBondContact O-N 3.39Å; Q54-Q57 VanDerWaalsContact O-N 3.12Å
55	A	98.8	Very high	98.8	Very high	16 Å²	16	52 Å²	52	13%	0.132	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-38.7	178.8	0	0	0	0	0	112.3	T51 I52 Q57 S58 D59 I62 V109	T51-A55 PolarHBondContact O-N 3.37Å; I52-A55 PolarHBondContact O-N 2.67Å; I52-A55 VanDerWaalsContact O-N 3.09Å; A55-Q57 PolarHBondContact O-N 3.47Å; A55-Q57 VanDerWaalsContact O-N 3.13Å; A55-S58 PolarHBondContact O-N 2.95Å; A55-S58 PolarHBondContact O-OG 2.75Å; A55-S58 VanDerWaalsContact O-OG 3.1Å; A55-D59 PolarHBondContact O-N 3.49Å; A55-D59 VanDerWaalsContact O-N 3.09Å; A55-I62 HydrophobicContact CB-CG1 4.36Å; A55-I62 HydrophobicContact CB-CG2 3.99Å; A55-V109 HydrophobicContact CB-CG1 3.94Å; A55-V109 HydrophobicContact CB-CG2 4.28Å
56	L	98.6	Very high	98.8	Very high	40 Å²	40	49 Å²	49	21%	0.209	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.9	177.1	-78.5	165.2	0	0	0	113.7	I52 Q54 S58 I62 L141	I52-L56 HydrophobicContact CG2-CD1 4.1Å; I52-L56 HydrophobicContact CG2-CG 4.4Å; I52-L56 WeakPolarHBondContact O-CG 3.16Å; I52-L56 PolarHBondContact O-N 2.9Å; Q54-L56 VanDerWaalsContact C-N 3.28Å; Q54-L56 PolarHBondContact O-N 2.91Å; L56-S58 PolarHBondContact O-N 3.22Å; L56-I62 HydrophobicContact CD2-CG2 3.71Å; L56-I62 HydrophobicContact CG-CG2 3.76Å; L56-L141 HydrophobicContact CD1-CB 3.92Å; L56-L141 HydrophobicContact CD1-CD1 3.98Å; L56-L141 HydrophobicContact CD1-CG 4.48Å
57	Q	98.6	Very high	98.8	Very high	154 Å²	154	46.5 Å²	46.5	72%	0.72	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.5	177.1	-54.6	-51	-58.6	0	0	112.9	Q53 Q54 A55	Q53-Q57 PolarHBondContact O-NE2 3.27Å; Q54-Q57 WeakPolarHBondContact O-CB 3.19Å; Q54-Q57 WeakPolarHBondContact O-CG 3.41Å; Q54-Q57 PolarHBondContact O-N 3.39Å; Q54-Q57 VanDerWaalsContact O-N 3.12Å; A55-Q57 PolarHBondContact O-N 3.47Å; A55-Q57 VanDerWaalsContact O-N 3.13Å
58	S	98.4	Very high	98.8	Very high	110 Å²	110	48.9 Å²	48.9	77%	0.769	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-14.4	-179.1	60.6	0	0	0	0	113.9	A55 L56	A55-S58 PolarHBondContact O-N 2.95Å; A55-S58 PolarHBondContact O-OG 2.75Å; A55-S58 VanDerWaalsContact O-OG 3.1Å; L56-S58 PolarHBondContact O-N 3.22Å
59	D	98.8	Very high	98.8	Very high	40 Å²	40	49 Å²	49	21%	0.214	26%	0.256	C	S	.	.			trans	-150.8	95.7	-178.4	179.5	8.2	0	0	0	110.4	A55 R61 I62 R105	A55-D59 PolarHBondContact O-N 3.49Å; A55-D59 VanDerWaalsContact O-N 3.09Å; D59-R61 PolarHBondContact O-N 3.01Å; D59-R61 VanDerWaalsContact O-N 3.14Å; D59-R61 VanDerWaalsContact OD1-CB 3.25Å; D59-R61 WeakPolarHBondContact OD1-CB 3.44Å; D59-R61 PolarHBondContact OD1-N 2.87Å; D59-I62 HydrophobicContact CB-CB 4.33Å; D59-I62 VanDerWaalsContact O-CG2 3.26Å; D59-I62 WeakPolarHBondContact O-CG2 3.29Å; D59-I62 PolarHBondContact O-N 2.04Å; D59-I62 VanDerWaalsContact O-N 3.14Å; D59-R105 IonicContact OD1-NH1 3.18Å; D59-R105 IonicContact OD2-CZ 2.79Å; D59-R105 IonicContact OD2-NH1 3.34Å; D59-R105 PolarHBondContact OD2-NH1 2.83Å; D59-R105 IonicContact OD2-NH2 2.66Å; D59-R105 PolarHBondContact OD2-NH2 2.99Å
60	T	98.7	Very high	98.8	Very high	80 Å²	80	45.3 Å²	45.3	49%	0.491	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.8	179.5	65.2	0	0	0	0	113	I62 D256	T60-I62 VanDerWaalsContact C-N 3.34Å; T60-D256 WeakPolarHBondContact CB-OD2 3.48Å; T60-D256 PolarHBondContact OG1-OD2 3.23Å
61	R	98.8	Very high	98.8	Very high	53 Å²	53	44.1 Å²	44.1	20%	0.2	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.7	179.1	-165.2	-171	175.5	-175.6	0.4	112.9	D59 G63 A64 S65 R203	D59-R61 PolarHBondContact O-N 3.01Å; D59-R61 VanDerWaalsContact O-N 3.14Å; D59-R61 VanDerWaalsContact OD1-CB 3.25Å; D59-R61 WeakPolarHBondContact OD1-CB 3.44Å; D59-R61 PolarHBondContact OD1-N 2.87Å; R61-G63 VanDerWaalsContact C-N 3.29Å; R61-G63 PolarHBondContact O-N 3.49Å; R61-A64 PolarHBondContact O-N 2.91Å; R61-S65 PolarHBondContact O-N 2.79Å; R61-S65 PolarHBondContact O-OG 3.34Å; R61-R203 HydrophobicContact CG-CG 3.96Å; R61-R203 PolarHBondContact NH2-O 2.72Å; R61-R203 VanDerWaalsContact NH2-O 3.08Å
62	I	98.9	Very high	98.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-37	-168.1	-166.1	62.2	0	0	0	112.5	A55 L56 D59 T60 A64 S65 L66 V109	A55-I62 HydrophobicContact CB-CG1 4.36Å; A55-I62 HydrophobicContact CB-CG2 3.99Å; L56-I62 HydrophobicContact CD2-CG2 3.71Å; L56-I62 HydrophobicContact CG-CG2 3.76Å; D59-I62 HydrophobicContact CB-CB 4.33Å; D59-I62 VanDerWaalsContact O-CG2 3.26Å; D59-I62 WeakPolarHBondContact O-CG2 3.29Å; D59-I62 PolarHBondContact O-N 2.04Å; D59-I62 VanDerWaalsContact O-N 3.14Å; T60-I62 VanDerWaalsContact C-N 3.34Å; I62-A64 PolarHBondContact O-N 2.94Å; I62-S65 WeakPolarHBondContact O-CB 3.4Å; I62-S65 PolarHBondContact O-N 3.04Å; I62-S65 VanDerWaalsContact O-N 3.1Å; I62-L66 HydrophobicContact CD1-CG 4.49Å; I62-L66 HydrophobicContact CG1-CD1 4.09Å; I62-L66 HydrophobicContact CG1-CG 4.26Å; I62-L66 WeakPolarHBondContact O-CG 3.31Å; I62-L66 PolarHBondContact O-N 3.22Å; I62-V109 HydrophobicContact CD1-CB 3.92Å; I62-V109 HydrophobicContact CD1-CG1 4.43Å; I62-V109 HydrophobicContact CD1-CG2 3.56Å; I62-V109 HydrophobicContact CG1-CB 4.07Å; I62-V109 HydrophobicContact CG1-CG1 4.02Å; I62-V109 HydrophobicContact CG1-CG2 3.82Å
63	G	98.8	Very high	98.8	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-49	177.4	0	0	0	0	0	112.5	R61 S65 L66 I67 S138	R61-G63 VanDerWaalsContact C-N 3.29Å; R61-G63 PolarHBondContact O-N 3.49Å; G63-S65 PolarHBondContact O-N 2.9Å; G63-L66 PolarHBondContact O-N 3.01Å; G63-I67 PolarHBondContact O-N 2.66Å; G63-S138 VanDerWaalsContact CA-CB 3.48Å; G63-S138 WeakPolarHBondContact CA-OG 3.39Å; G63-S138 WeakPolarHBondContact O-CB 3.39Å
64	A	98.9	Very high	98.8	Very high	14 Å²	14	38.6 Å²	38.6	12%	0.116	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-33.2	174.6	0	0	0	0	0	112.7	R61 I62 I67 R68 F201 G202	R61-A64 PolarHBondContact O-N 2.91Å; I62-A64 PolarHBondContact O-N 2.94Å; A64-I67 WeakPolarHBondContact O-CG2 3.4Å; A64-R68 WeakPolarHBondContact O-CB 3.44Å; A64-R68 PolarHBondContact O-N 3.38Å; A64-F201 VanDerWaalsContact CA-CZ 3.48Å; A64-F201 HydrophobicContact CB-CD1 3.66Å; A64-F201 HydrophobicContact CB-CD2 4.09Å; A64-F201 HydrophobicContact CB-CE1 3.68Å; A64-F201 HydrophobicContact CB-CE2 4.11Å; A64-F201 HydrophobicContact CB-CG 3.88Å; A64-F201 HydrophobicContact CB-CZ 3.92Å; A64-G202 VanDerWaalsContact CB-CA 3.48Å
65	S	98.9	Very high	98.8	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.063	17%	0.17	C	C	.	.	H	α-helix	trans	-68.6	-43.2	177.6	-51.6	0	0	0	0	111.6	R61 I62 G63 R68 L69 R105	R61-S65 PolarHBondContact O-N 2.79Å; R61-S65 PolarHBondContact O-OG 3.34Å; I62-S65 WeakPolarHBondContact O-CB 3.4Å; I62-S65 PolarHBondContact O-N 3.04Å; I62-S65 VanDerWaalsContact O-N 3.1Å; G63-S65 PolarHBondContact O-N 2.9Å; S65-R68 PolarHBondContact O-N 3.14Å; S65-L69 PolarHBondContact O-N 3.19Å; S65-L69 VanDerWaalsContact O-N 3.11Å; S65-R105 WeakPolarHBondContact OG-CD 3.47Å; S65-R105 VanDerWaalsContact OG-CG 3.31Å; S65-R105 WeakPolarHBondContact OG-CG 3.12Å; S65-R105 PolarHBondContact OG-NH1 2.73Å
66	L	99	Very high	98.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.8	-43.5	-177.1	-69.9	169.8	0	0	0	112.5	I52 I62 G63 R68 L69 H70 V109 V110 A134	I52-L66 HydrophobicContact CD1-CD1 3.83Å; I52-L66 HydrophobicContact CG1-CD1 3.74Å; I52-L66 HydrophobicContact CG2-CD1 4.25Å; I62-L66 HydrophobicContact CD1-CG 4.49Å; I62-L66 HydrophobicContact CG1-CD1 4.09Å; I62-L66 HydrophobicContact CG1-CG 4.26Å; I62-L66 WeakPolarHBondContact O-CG 3.31Å; I62-L66 PolarHBondContact O-N 3.22Å; G63-L66 PolarHBondContact O-N 3.01Å; L66-R68 VanDerWaalsContact C-N 3.28Å; L66-R68 PolarHBondContact O-N 3.29Å; L66-L69 HydrophobicContact CD2-CD1 4.44Å; L66-L69 WeakPolarHBondContact O-CB 3.26Å; L66-L69 PolarHBondContact O-N 3.39Å; L66-L69 VanDerWaalsContact O-N 3.15Å; L66-H70 PolarHBondContact O-N 3.45Å; L66-V109 HydrophobicContact CD1-CG1 4.23Å; L66-V110 HydrophobicContact CD2-CG2 3.59Å; L66-A134 HydrophobicContact CB-CB 4.43Å; L66-A134 HydrophobicContact CD1-CB 4.43Å
67	I	98.9	Very high	98.8	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-35.7	175.9	-172.4	161	0	0	0	112	G63 A64 L69 H70 F71 V139 F201 F305 M309	G63-I67 PolarHBondContact O-N 2.66Å; A64-I67 WeakPolarHBondContact O-CG2 3.4Å; I67-L69 VanDerWaalsContact C-N 3.32Å; I67-L69 PolarHBondContact O-N 3.11Å; I67-H70 PolarHBondContact O-N 2.74Å; I67-F71 PolarHBondContact O-N 3.26Å; I67-V139 HydrophobicContact CD1-CG2 3.43Å; I67-V139 VanDerWaalsContact CD1-CG2 3.43Å; I67-F201 HydrophobicContact CG2-CE1 3.85Å; I67-F201 HydrophobicContact CG2-CZ 3.79Å; I67-F305 HydrophobicContact CD1-CE1 4.18Å; I67-F305 HydrophobicContact CD1-CZ 3.74Å; I67-M309 HydrophobicContact CD1-CE 3.77Å; I67-M309 HydrophobicContact CD1-SD 3.95Å; I67-M309 HydrophobicContact CG1-CE 3.97Å; I67-M309 HydrophobicContact CG1-SD 4.43Å
68	R	98.9	Very high	98.8	Very high	84 Å²	84	25.6 Å²	25.6	32%	0.317	14%	0.14	S	C	.	.	H	α-helix	trans	-65.2	-35.4	174.7	-170.7	177.2	-175.2	-95	-0.9	112.1	A64 S65 L66 H70 F71 H72 P99 S103	A64-R68 WeakPolarHBondContact O-CB 3.44Å; A64-R68 PolarHBondContact O-N 3.38Å; S65-R68 PolarHBondContact O-N 3.14Å; L66-R68 VanDerWaalsContact C-N 3.28Å; L66-R68 PolarHBondContact O-N 3.29Å; R68-H70 VanDerWaalsContact C-N 3.34Å; R68-F71 PolarHBondContact O-N 2.96Å; R68-H72 PolarHBondContact NE-NE2 3.12Å; R68-H72 PolarHBondContact NH1-CE1 3.4Å; R68-H72 PolarHBondContact NH2-CE1 3.38Å; R68-H72 PolarHBondContact NH2-NE2 2.64Å; R68-H72 WeakPolarHBondContact O-CB 3.49Å; R68-H72 PolarHBondContact O-CD2 3.46Å; R68-H72 PolarHBondContact O-N 2.9Å; R68-P99 PolarHBondContact NH1-O 3.16Å; R68-P99 PolarHBondContact NH2-O 2.84Å; R68-P99 VanDerWaalsContact NH2-O 3.14Å; R68-S103 PolarHBondContact NH1-OG 3.37Å
69	L	98.9	Very high	98.8	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-42.9	173.1	-70.1	-179.4	0	0	0	111.4	S65 L66 I67 H72 D73 I83 A104 R105 F107 V110 L131	S65-L69 PolarHBondContact O-N 3.19Å; S65-L69 VanDerWaalsContact O-N 3.11Å; L66-L69 HydrophobicContact CD2-CD1 4.44Å; L66-L69 WeakPolarHBondContact O-CB 3.26Å; L66-L69 PolarHBondContact O-N 3.39Å; L66-L69 VanDerWaalsContact O-N 3.15Å; I67-L69 VanDerWaalsContact C-N 3.32Å; I67-L69 PolarHBondContact O-N 3.11Å; L69-H72 PolarHBondContact O-N 3.44Å; L69-D73 WeakPolarHBondContact O-CB 3.26Å; L69-D73 PolarHBondContact O-N 2.88Å; L69-I83 HydrophobicContact CD2-CD1 4.32Å; L69-A104 HydrophobicContact CD2-CB 3.98Å; L69-R105 WeakPolarHBondContact CD1-O 3.36Å; L69-F107 HydrophobicContact CD1-CD1 4.16Å; L69-F107 HydrophobicContact CD1-CE1 4.25Å; L69-F107 HydrophobicContact CD2-CD1 4.26Å; L69-F107 HydrophobicContact CD2-CE1 3.53Å; L69-F107 HydrophobicContact CD2-CE2 4.4Å; L69-F107 HydrophobicContact CD2-CZ 3.62Å; L69-V110 HydrophobicContact CD1-CG2 3.95Å; L69-L131 HydrophobicContact CB-CD2 4.06Å; L69-L131 HydrophobicContact CD1-CD2 4.49Å
70	H	99	Very high	98.9	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.019	10%	0.095	C	C	.	.	H	α-helix	trans	-66.3	-40.3	177.6	-172.5	39.5	0	0	0	112.7	L66 I67 R68 D73 C74 L131 S135	L66-H70 PolarHBondContact O-N 3.45Å; I67-H70 PolarHBondContact O-N 2.74Å; R68-H70 VanDerWaalsContact C-N 3.34Å; H70-D73 WeakPolarHBondContact O-CB 3.36Å; H70-D73 PolarHBondContact O-N 3.4Å; H70-C74 PolarHBondContact CE1-SG 2.92Å; H70-C74 WeakPolarHBondContact O-CB 3.41Å; H70-C74 PolarHBondContact O-N 2.94Å; H70-C74 PolarHBondContact O-SG 3.47Å; H70-L131 HydrophobicContact CB-CB 4.08Å; H70-S135 WeakPolarHBondContact CB-OG 3.32Å; H70-S135 PolarHBondContact CD2-OG 3.17Å
71	F	98.9	Very high	98.9	Very high	47 Å²	47	15.1 Å²	15.1	21%	0.206	7%	0.072	C	C	.	.	H	α-helix	trans	-58.4	-48	172	163.2	-124.1	0	0	0	111.7	I67 R68 D73 C74 F75 P169 F182 M312	I67-F71 PolarHBondContact O-N 3.26Å; R68-F71 PolarHBondContact O-N 2.96Å; F71-D73 VanDerWaalsContact C-N 3.34Å; F71-D73 PolarHBondContact O-N 2.91Å; F71-C74 PolarHBondContact O-N 3.04Å; F71-F75 AromaticContact CD2-CD2 3.46Å; F71-F75 HydrophobicContact CD2-CD2 3.46Å; F71-F75 VanDerWaalsContact CD2-CD2 3.46Å; F71-F75 AromaticContact CD2-CE2 3.55Å; F71-F75 HydrophobicContact CD2-CE2 3.55Å; F71-F75 HydrophobicContact CD2-CG 4.1Å; F71-F75 HydrophobicContact CD2-CZ 4.24Å; F71-F75 AromaticContact CE2-CD1 3.88Å; F71-F75 HydrophobicContact CE2-CD1 3.88Å; F71-F75 AromaticContact CE2-CD2 3.36Å; F71-F75 HydrophobicContact CE2-CD2 3.36Å; F71-F75 AromaticContact CE2-CE1 3.8Å; F71-F75 HydrophobicContact CE2-CE1 3.8Å; F71-F75 AromaticContact CE2-CE2 3.29Å; F71-F75 HydrophobicContact CE2-CE2 3.29Å; F71-F75 AromaticContact CE2-CG 3.67Å; F71-F75 HydrophobicContact CE2-CG 3.67Å; F71-F75 AromaticContact CE2-CZ 3.52Å; F71-F75 HydrophobicContact CE2-CZ 3.52Å; F71-F75 HydrophobicContact CZ-CD1 4.38Å; F71-F75 HydrophobicContact CZ-CD2 4.46Å; F71-F75 HydrophobicContact CZ-CE1 4.42Å; F71-F75 HydrophobicContact CZ-CG 4.4Å; F71-F75 HydrophobicContact CZ-CZ 4.49Å; F71-F75 WeakPolarHBondContact O-CD2 3.37Å; F71-F75 PolarHBondContact O-N 3.32Å; F71-F75 VanDerWaalsContact O-N 3.13Å; F71-P169 HydrophobicContact CZ-CG 4.39Å; F71-F182 HydrophobicContact CE2-CZ 4.48Å; F71-M312 HydrophobicContact CB-CE 4.17Å; F71-M312 HydrophobicContact CB-SD 4.05Å; F71-M312 HydrophobicContact CD2-SD 3.78Å; F71-M312 HydrophobicContact CG-SD 4.39Å
72	H	98.9	Very high	98.9	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.009	6%	0.062	C	C	.	.	H	α-helix	trans	-67	-34.4	-179.8	-77.4	-140.2	0	0	0	113	R68 L69 V76 I83 N100 I168	R68-H72 PolarHBondContact NE-NE2 3.12Å; R68-H72 PolarHBondContact NH1-CE1 3.4Å; R68-H72 PolarHBondContact NH2-CE1 3.38Å; R68-H72 PolarHBondContact NH2-NE2 2.64Å; R68-H72 WeakPolarHBondContact O-CB 3.49Å; R68-H72 PolarHBondContact O-CD2 3.46Å; R68-H72 PolarHBondContact O-N 2.9Å; L69-H72 PolarHBondContact O-N 3.44Å; H72-V76 WeakPolarHBondContact O-CG2 2.85Å; H72-I83 HydrophobicContact CB-CD1 3.38Å; H72-N100 PolarHBondContact CE1-OD1 2.72Å; H72-N100 PolarHBondContact ND1-OD1 3.29Å; H72-I168 HydrophobicContact CB-CD1 4.04Å
73	D	99	Very high	98.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.1	-60.9	171.1	-170.3	47.3	0	0	0	110	L69 H70 F71 F75 V76 G78 C79 D80 A81 S82 I83 L131	L69-D73 WeakPolarHBondContact O-CB 3.26Å; L69-D73 PolarHBondContact O-N 2.88Å; H70-D73 WeakPolarHBondContact O-CB 3.36Å; H70-D73 PolarHBondContact O-N 3.4Å; F71-D73 VanDerWaalsContact C-N 3.34Å; F71-D73 PolarHBondContact O-N 2.91Å; D73-F75 PolarHBondContact O-N 2.82Å; D73-V76 PolarHBondContact O-N 3.4Å; D73-G78 CarbonylContact C-O 3.13Å; D73-C79 WeakPolarHBondContact OD2-CA 3.47Å; D73-D80 PolarHBondContact OD2-N 3.01Å; D73-A81 VanDerWaalsContact CG-N 3.31Å; D73-A81 WeakPolarHBondContact OD1-CA 3.45Å; D73-A81 PolarHBondContact OD1-N 2.79Å; D73-A81 PolarHBondContact OD2-N 3.28Å; D73-S82 PolarHBondContact OD1-N 3.35Å; D73-S82 VanDerWaalsContact OD1-N 3.16Å; D73-I83 HydrophobicContact CB-CG2 3.7Å; D73-L131 HydrophobicContact CB-CD1 3.93Å
74	C	98.9	Very high	98.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.4	-25.5	-174.5	-67.8	0	0	0	0	114.7	H70 F71 V76 C79 M312 I315	H70-C74 PolarHBondContact CE1-SG 2.92Å; H70-C74 WeakPolarHBondContact O-CB 3.41Å; H70-C74 PolarHBondContact O-N 2.94Å; H70-C74 PolarHBondContact O-SG 3.47Å; F71-C74 PolarHBondContact O-N 3.04Å; C74-V76 VanDerWaalsContact C-N 3.31Å; C74-C79 HydrophobicContact CB-CB 4.24Å; C74-C79 WeakPolarHBondContact CB-SG 3.26Å; C74-C79 WeakPolarHBondContact SG-CB 3.03Å; C74-C79 CovalentContact SG-SG 2.04Å; C74-C79 PolarHBondContact SG-SG 3.49Å; C74-M312 HydrophobicContact CB-CG 3.9Å; C74-I315 HydrophobicContact CB-CD1 4.29Å; C74-I315 WeakPolarHBondContact O-CG2 3.49Å
75	F	98.8	Very high	98.9	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.018	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.9	178.2	-92	-117.3	0	0	0	114	F71 D73 S167 I168 P169 F182 V185 L187 M312 I315	F71-F75 AromaticContact CD2-CD2 3.46Å; F71-F75 HydrophobicContact CD2-CD2 3.46Å; F71-F75 VanDerWaalsContact CD2-CD2 3.46Å; F71-F75 AromaticContact CD2-CE2 3.55Å; F71-F75 HydrophobicContact CD2-CE2 3.55Å; F71-F75 HydrophobicContact CD2-CG 4.1Å; F71-F75 HydrophobicContact CD2-CZ 4.24Å; F71-F75 AromaticContact CE2-CD1 3.88Å; F71-F75 HydrophobicContact CE2-CD1 3.88Å; F71-F75 AromaticContact CE2-CD2 3.36Å; F71-F75 HydrophobicContact CE2-CD2 3.36Å; F71-F75 AromaticContact CE2-CE1 3.8Å; F71-F75 HydrophobicContact CE2-CE1 3.8Å; F71-F75 AromaticContact CE2-CE2 3.29Å; F71-F75 HydrophobicContact CE2-CE2 3.29Å; F71-F75 AromaticContact CE2-CG 3.67Å; F71-F75 HydrophobicContact CE2-CG 3.67Å; F71-F75 AromaticContact CE2-CZ 3.52Å; F71-F75 HydrophobicContact CE2-CZ 3.52Å; F71-F75 HydrophobicContact CZ-CD1 4.38Å; F71-F75 HydrophobicContact CZ-CD2 4.46Å; F71-F75 HydrophobicContact CZ-CE1 4.42Å; F71-F75 HydrophobicContact CZ-CG 4.4Å; F71-F75 HydrophobicContact CZ-CZ 4.49Å; F71-F75 WeakPolarHBondContact O-CD2 3.37Å; F71-F75 PolarHBondContact O-N 3.32Å; F71-F75 VanDerWaalsContact O-N 3.13Å; D73-F75 PolarHBondContact O-N 2.82Å; F75-S167 WeakPolarHBondContact O-CB 3.38Å; F75-I168 HydrophobicContact CB-CG1 4.22Å; F75-P169 HydrophobicContact CE1-CG 4.24Å; F75-F182 HydrophobicContact CE1-CD2 4.1Å; F75-F182 HydrophobicContact CE1-CE2 4.23Å; F75-F182 HydrophobicContact CE1-CG 4.38Å; F75-F182 AromaticContact CZ-CD1 4Å; F75-F182 HydrophobicContact CZ-CD1 4Å; F75-F182 HydrophobicContact CZ-CD2 4.08Å; F75-F182 AromaticContact CZ-CE1 3.97Å; F75-F182 HydrophobicContact CZ-CE1 3.97Å; F75-F182 HydrophobicContact CZ-CE2 4.1Å; F75-F182 HydrophobicContact CZ-CG 4.04Å; F75-F182 HydrophobicContact CZ-CZ 4.04Å; F75-V185 HydrophobicContact CD1-CG1 4.49Å; F75-V185 HydrophobicContact CD1-CG2 4.24Å; F75-V185 HydrophobicContact CD2-CG2 4.32Å; F75-V185 HydrophobicContact CE1-CG2 3.81Å; F75-V185 HydrophobicContact CE2-CG2 3.87Å; F75-V185 HydrophobicContact CG-CG2 4.49Å; F75-V185 HydrophobicContact CZ-CG2 3.6Å; F75-L187 HydrophobicContact CE2-CD1 3.73Å; F75-L187 HydrophobicContact CZ-CD1 3.85Å; F75-M312 HydrophobicContact CE2-CG 4.32Å; F75-M312 HydrophobicContact CE2-SD 4.28Å; F75-I315 HydrophobicContact CE2-CD1 4.44Å
76	V	98.9	Very high	98.9	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130	110.5	-178.3	-174.3	0	0	0	0	108.9	H72 D73 C74 G78 N160 A164 I168	H72-V76 WeakPolarHBondContact O-CG2 2.85Å; D73-V76 PolarHBondContact O-N 3.4Å; C74-V76 VanDerWaalsContact C-N 3.31Å; V76-G78 PolarHBondContact O-N 2.92Å; V76-N160 HydrophobicContact CG1-CB 3.91Å; V76-A164 HydrophobicContact CG1-CB 4.35Å; V76-A164 VanDerWaalsContact CG2-CA 3.47Å; V76-A164 HydrophobicContact CG2-CB 3.85Å; V76-I168 HydrophobicContact CG2-CD1 3.9Å; V76-I168 HydrophobicContact CG2-CG1 3.91Å
77	N	98.4	Very high	98.9	Very high	75 Å²	75	18.7 Å²	18.7	40%	0.401	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-8.1	-173.3	-63.5	-6.8	0	0	0	116.6	N160	N77-N160 WeakPolarHBondContact ND2-CB 3.37Å; N77-N160 PolarHBondContact OD1-ND2 3.47Å
78	G	98.8	Very high	98.8	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.021	11%	0.108	C	C	.	.	S	Bend	trans	109.2	-178.3	-176	0	0	0	0	0	111	D73 V76 D80 I315	D73-G78 CarbonylContact C-O 3.13Å; V76-G78 PolarHBondContact O-N 2.92Å; G78-D80 VanDerWaalsContact C-N 3.27Å; G78-D80 PolarHBondContact O-N 3.4Å; G78-I315 VanDerWaalsContact CA-O 3.29Å; G78-I315 WeakPolarHBondContact CA-O 3.31Å
79	C	98.9	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-79.8	75.4	-177.8	-47.3	0	0	0	0	110.5	D73 C74 R153 M312 G313 I315	D73-C79 WeakPolarHBondContact OD2-CA 3.47Å; C74-C79 HydrophobicContact CB-CB 4.24Å; C74-C79 WeakPolarHBondContact CB-SG 3.26Å; C74-C79 WeakPolarHBondContact SG-CB 3.03Å; C74-C79 CovalentContact SG-SG 2.04Å; C74-C79 PolarHBondContact SG-SG 3.49Å; C79-R153 WeakPolarHBondContact O-CD 3.04Å; C79-M312 PolarHBondContact SG-O 2.92Å; C79-G313 PolarHBondContact SG-O 3.08Å; C79-G313 VanDerWaalsContact SG-O 3.35Å; C79-I315 PolarHBondContact N-O 2.84Å
80	D	98.9	Very high	98.7	Very high	9 Å²	9	26.2 Å²	26.2	5%	0.048	17%	0.17	C	C	.	.	S	Bend	trans	-122.7	14.1	-170.7	73.9	-7.9	0	0	0	114	D73 G78 S82 S128 D155 S156 L318 R326	D73-D80 PolarHBondContact OD2-N 3.01Å; G78-D80 VanDerWaalsContact C-N 3.27Å; G78-D80 PolarHBondContact O-N 3.4Å; D80-S82 PolarHBondContact O-N 2.99Å; D80-S82 VanDerWaalsContact O-N 3.1Å; D80-S82 WeakPolarHBondContact OD1-CB 3.26Å; D80-S82 PolarHBondContact OD1-N 2.84Å; D80-S82 PolarHBondContact OD1-OG 3.27Å; D80-S128 WeakPolarHBondContact CA-OG 3.28Å; D80-S128 PolarHBondContact O-OG 3Å; D80-D155 WeakPolarHBondContact O-CA 3.35Å; D80-S156 VanDerWaalsContact CG-CB 3.49Å; D80-S156 WeakPolarHBondContact O-CB 3Å; D80-S156 PolarHBondContact O-N 3.05Å; D80-S156 WeakPolarHBondContact OD2-CB 3.29Å; D80-L318 HydrophobicContact CB-CD1 4.11Å; D80-L318 HydrophobicContact CB-CG 4.22Å; D80-R326 PolarHBondContact O-NH2 3.15Å
81	A	98.9	Very high	98.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	56.4	19	-176.6	0	0	0	0	0	114.6	D73 I83 L84 C127 S128 R326	D73-A81 VanDerWaalsContact CG-N 3.31Å; D73-A81 WeakPolarHBondContact OD1-CA 3.45Å; D73-A81 PolarHBondContact OD1-N 2.79Å; D73-A81 PolarHBondContact OD2-N 3.28Å; A81-I83 PolarHBondContact O-N 3.3Å; A81-L84 HydrophobicContact CB-CD1 3.92Å; A81-L84 HydrophobicContact CB-CG 4.32Å; A81-L84 WeakPolarHBondContact O-CB 3.36Å; A81-L84 PolarHBondContact O-N 3.08Å; A81-C127 HydrophobicContact CB-CB 3.78Å; A81-S128 WeakPolarHBondContact CB-OG 3.42Å; A81-S128 PolarHBondContact N-OG 3.23Å; A81-R326 VanDerWaalsContact CB-NH2 3.33Å; A81-R326 PolarHBondContact O-NH1 2.85Å; A81-R326 VanDerWaalsContact O-NH1 3.13Å; A81-R326 PolarHBondContact O-NH2 3.47Å
82	S	98.9	Very high	98.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-57.8	-36.7	178.8	49.4	0	0	0	0	112.1	D73 D80 L84 L85 E94 S156	D73-S82 PolarHBondContact OD1-N 3.35Å; D73-S82 VanDerWaalsContact OD1-N 3.16Å; D80-S82 PolarHBondContact O-N 2.99Å; D80-S82 VanDerWaalsContact O-N 3.1Å; D80-S82 WeakPolarHBondContact OD1-CB 3.26Å; D80-S82 PolarHBondContact OD1-N 2.84Å; D80-S82 PolarHBondContact OD1-OG 3.27Å; S82-L84 PolarHBondContact O-N 3.32Å; S82-L84 VanDerWaalsContact O-N 3.1Å; S82-L85 PolarHBondContact O-N 2.81Å; S82-E94 VanDerWaalsContact CB-OE1 3.29Å; S82-E94 WeakPolarHBondContact CB-OE1 3.39Å; S82-E94 PolarHBondContact OG-OE1 3.32Å; S82-S156 WeakPolarHBondContact CA-OG 3.33Å
83	I	98.9	Very high	98.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-59.1	-23.8	176.2	-170	165	0	0	0	114.3	L69 H72 D73 A81 E94 K95 F107 L131	L69-I83 HydrophobicContact CD2-CD1 4.32Å; H72-I83 HydrophobicContact CB-CD1 3.38Å; D73-I83 HydrophobicContact CB-CG2 3.7Å; A81-I83 PolarHBondContact O-N 3.3Å; I83-E94 HydrophobicContact CG1-CB 4.38Å; I83-K95 WeakPolarHBondContact O-CE 3.49Å; I83-F107 HydrophobicContact CG1-CE1 4.43Å; I83-L131 HydrophobicContact CG2-CD1 4.19Å
84	L	98.9	Very high	98.7	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-81.9	-20	-174.9	-58.2	-177.5	0	0	0	113.2	A81 S82 K95 F107 V110 C127 L131 C329 K330	A81-L84 HydrophobicContact CB-CD1 3.92Å; A81-L84 HydrophobicContact CB-CG 4.32Å; A81-L84 WeakPolarHBondContact O-CB 3.36Å; A81-L84 PolarHBondContact O-N 3.08Å; S82-L84 PolarHBondContact O-N 3.32Å; S82-L84 VanDerWaalsContact O-N 3.1Å; L84-K95 VanDerWaalsContact O-CE 3.28Å; L84-K95 WeakPolarHBondContact O-CE 3.2Å; L84-K95 PolarHBondContact O-NZ 2.85Å; L84-F107 HydrophobicContact CD2-CD1 3.8Å; L84-F107 HydrophobicContact CD2-CE1 4.08Å; L84-V110 HydrophobicContact CD1-CG1 3.85Å; L84-V110 HydrophobicContact CD2-CG1 4.36Å; L84-C127 HydrophobicContact CD1-CB 3.96Å; L84-L131 HydrophobicContact CD1-CD1 3.99Å; L84-L131 HydrophobicContact CD1-CD2 4.39Å; L84-L131 HydrophobicContact CD1-CG 4.1Å; L84-L131 HydrophobicContact CD2-CD1 4.19Å; L84-L131 HydrophobicContact CD2-CD2 4.28Å; L84-L131 HydrophobicContact CG-CD1 4.09Å; L84-C329 CarbonylContact C-O 3.56Å; L84-C329 HydrophobicContact CB-CB 4.33Å; L84-C329 WeakPolarHBondContact CB-O 3.47Å; L84-C329 HydrophobicContact CD1-CB 3.89Å; L84-K330 WeakPolarHBondContact O-CA 3.48Å
85	L	98.9	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-66.4	132.2	-178.6	-67.4	167.8	0	0	0	111.1	S82 I91 S93 A159 K330 V332	S82-L85 PolarHBondContact O-N 2.81Å; L85-I91 HydrophobicContact CB-CG2 4.22Å; L85-I91 HydrophobicContact CD1-CD1 4.33Å; L85-S93 VanDerWaalsContact O-CB 3.3Å; L85-S93 WeakPolarHBondContact O-CB 3.46Å; L85-S93 PolarHBondContact O-OG 2.68Å; L85-A159 HydrophobicContact CB-CB 4.43Å; L85-A159 HydrophobicContact CD1-CB 4.38Å; L85-K330 WeakPolarHBondContact CA-O 3.19Å; L85-V332 HydrophobicContact CD2-CG1 4.06Å
86	D	98.9	Very high	98.7	Very high	62 Å²	62	35 Å²	35	33%	0.332	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-82.2	165.5	170.8	-77.6	-31.6	0	0	0	111.6	K95 K330	D86-K95 WeakPolarHBondContact OD1-CD 3.38Å; D86-K95 WeakPolarHBondContact OD1-CE 3.43Å; D86-K95 IonicContact OD1-NZ 3.92Å; D86-K95 PolarHBondContact OD1-NZ 3.24Å; D86-K95 IonicContact OD2-NZ 2.72Å; D86-K330 PolarHBondContact N-O 3.1Å; D86-K330 WeakPolarHBondContact OD2-CB 3.5Å; D86-K330 WeakPolarHBondContact OD2-CD 3.34Å
87	D	98.8	Very high	98.7	Very high	90 Å²	90	35 Å²	35	48%	0.481	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-61.5	138.9	176	-70.2	-60.4	0	0	0	111.3	I91 Q92 S93 N96	D87-I91 WeakPolarHBondContact CA-O 3.45Å; D87-Q92 WeakPolarHBondContact OD1-CA 3.45Å; D87-S93 WeakPolarHBondContact OD1-CB 3.16Å; D87-S93 PolarHBondContact OD1-N 3.28Å; D87-N96 PolarHBondContact OD1-ND2 2.79Å; D87-N96 PolarHBondContact OD2-ND2 2.96Å
88	T	98.4	Very high	98.7	Very high	61 Å²	61	33.2 Å²	33.2	37%	0.374	21%	0.214	S	C	.	.			trans	-136.1	-177.4	169.4	74.9	0	0	0	0	109.4	S90 I91	T88-S90 PolarHBondContact O-N 3.17Å; T88-S90 VanDerWaalsContact O-N 3.16Å; T88-S90 PolarHBondContact OG1-N 3.21Å; T88-S90 PolarHBondContact OG1-OG 3.32Å; T88-I91 HydrophobicContact CG2-CB 4.42Å; T88-I91 HydrophobicContact CG2-CD1 4.41Å; T88-I91 PolarHBondContact N-O 3.04Å; T88-I91 WeakPolarHBondContact OG1-CB 3.47Å; T88-I91 PolarHBondContact OG1-N 2.85Å
89	G	97.6	Very high	98.7	Very high	92 Å²	92	34.5 Å²	34.5	95%	0.948	22%	0.222	S	C	*	.	S	Bend	trans	-59.3	-23	173.2	0	0	0	0	0	114.1
90	S	97.4	Very high	98.7	Very high	99 Å²	99	34.7 Å²	34.7	69%	0.692	22%	0.223	S	C	*	.	S	Bend	trans	-119	-14.8	-178	55.8	0	0	0	0	114.5	T88 Q92	T88-S90 PolarHBondContact O-N 3.17Å; T88-S90 VanDerWaalsContact O-N 3.16Å; T88-S90 PolarHBondContact OG1-N 3.21Å; T88-S90 PolarHBondContact OG1-OG 3.32Å; S90-Q92 PolarHBondContact O-NE2 3.22Å
91	I	98.8	Very high	98.7	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.062	24%	0.235	C	C	.	.			trans	-109.6	123.1	-179.6	-63	171.8	0	0	0	109	L85 D87 T88 A159 V332	L85-I91 HydrophobicContact CB-CG2 4.22Å; L85-I91 HydrophobicContact CD1-CD1 4.33Å; D87-I91 WeakPolarHBondContact CA-O 3.45Å; T88-I91 HydrophobicContact CG2-CB 4.42Å; T88-I91 HydrophobicContact CG2-CD1 4.41Å; T88-I91 PolarHBondContact N-O 3.04Å; T88-I91 WeakPolarHBondContact OG1-CB 3.47Å; T88-I91 PolarHBondContact OG1-N 2.85Å; I91-A159 HydrophobicContact CG2-CB 3.79Å; I91-V332 HydrophobicContact CD1-CG1 4.15Å
92	Q	98.8	Very high	98.6	Very high	115 Å²	115	44.1 Å²	44.1	54%	0.537	28%	0.275	S	S	.	.			trans	-97.1	112.1	166.3	-62.6	79.8	66.1	0	0	107.9	D87 S90 L161	D87-Q92 WeakPolarHBondContact OD1-CA 3.45Å; S90-Q92 PolarHBondContact O-NE2 3.22Å; Q92-L161 HydrophobicContact CB-CB 4.44Å; Q92-L161 HydrophobicContact CB-CD1 4.12Å
93	S	98.9	Very high	98.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	28%	0.284	C	S	.	.			trans	-67.7	136.3	-170.8	-178.5	0	0	0	0	112.3	L85 D87 K95 N96 L161	L85-S93 VanDerWaalsContact O-CB 3.3Å; L85-S93 WeakPolarHBondContact O-CB 3.46Å; L85-S93 PolarHBondContact O-OG 2.68Å; D87-S93 WeakPolarHBondContact OD1-CB 3.16Å; D87-S93 PolarHBondContact OD1-N 3.28Å; S93-K95 PolarHBondContact O-N 3.01Å; S93-K95 WeakPolarHBondContact OG-CB 3.31Å; S93-K95 WeakPolarHBondContact OG-CG 3.42Å; S93-K95 PolarHBondContact OG-N 3.27Å; S93-K95 VanDerWaalsContact OG-N 3.09Å; S93-N96 PolarHBondContact O-N 3.16Å; S93-N96 VanDerWaalsContact O-N 3.17Å; S93-L161 WeakPolarHBondContact O-CD1 3.33Å
94	E	98.9	Very high	98.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-62.3	-18.2	169.5	-75	171.1	-138.6	0	0	113.1	S82 I83 N96 A97 N100 A159 N160 A164	S82-E94 VanDerWaalsContact CB-OE1 3.29Å; S82-E94 WeakPolarHBondContact CB-OE1 3.39Å; S82-E94 PolarHBondContact OG-OE1 3.32Å; I83-E94 HydrophobicContact CG1-CB 4.38Å; E94-N96 PolarHBondContact O-N 3.1Å; E94-N96 VanDerWaalsContact O-N 3.07Å; E94-A97 WeakPolarHBondContact O-CB 3.2Å; E94-A97 PolarHBondContact O-N 3.49Å; E94-N100 VanDerWaalsContact O-CB 3.23Å; E94-N100 WeakPolarHBondContact O-CB 3.42Å; E94-N100 PolarHBondContact O-ND2 2.79Å; E94-A159 HydrophobicContact CG-CB 4.25Å; E94-N160 VanDerWaalsContact CG-C 3.46Å; E94-N160 PolarHBondContact OE1-N 2.94Å; E94-A164 HydrophobicContact CB-CB 4.3Å; E94-A164 HydrophobicContact CG-CB 4Å
95	K	98.9	Very high	98.6	Very high	32 Å²	32	50 Å²	50	14%	0.139	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-57.8	-23.5	174.4	-63.1	177.5	-171.6	171.5	0	112.3	I83 L84 D86 S93 N100 V101 F107	I83-K95 WeakPolarHBondContact O-CE 3.49Å; L84-K95 VanDerWaalsContact O-CE 3.28Å; L84-K95 WeakPolarHBondContact O-CE 3.2Å; L84-K95 PolarHBondContact O-NZ 2.85Å; D86-K95 WeakPolarHBondContact OD1-CD 3.38Å; D86-K95 WeakPolarHBondContact OD1-CE 3.43Å; D86-K95 IonicContact OD1-NZ 3.92Å; D86-K95 PolarHBondContact OD1-NZ 3.24Å; D86-K95 IonicContact OD2-NZ 2.72Å; S93-K95 PolarHBondContact O-N 3.01Å; S93-K95 WeakPolarHBondContact OG-CB 3.31Å; S93-K95 WeakPolarHBondContact OG-CG 3.42Å; S93-K95 PolarHBondContact OG-N 3.27Å; S93-K95 VanDerWaalsContact OG-N 3.09Å; K95-N100 CarbonylContact O-C 3.46Å; K95-V101 WeakPolarHBondContact O-CA 3.1Å; K95-V101 PolarHBondContact O-N 3.23Å; K95-F107 HydrophobicContact CD-CD1 4.46Å; K95-F107 HydrophobicContact CD-CD2 4.49Å; K95-F107 HydrophobicContact CD-CE1 4.16Å; K95-F107 HydrophobicContact CD-CE2 4.21Å; K95-F107 HydrophobicContact CD-CZ 4.04Å; K95-F107 HydrophobicContact CG-CE1 4.08Å; K95-F107 HydrophobicContact CG-CE2 4.22Å; K95-F107 HydrophobicContact CG-CZ 3.74Å
96	N	98.8	Very high	98.6	Very high	81 Å²	81	50.1 Å²	50.1	43%	0.433	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-91.6	-3.5	176.9	-60.8	-50.2	0	0	0	114.1	D87 S93 E94 L161	D87-N96 PolarHBondContact OD1-ND2 2.79Å; D87-N96 PolarHBondContact OD2-ND2 2.96Å; S93-N96 PolarHBondContact O-N 3.16Å; S93-N96 VanDerWaalsContact O-N 3.17Å; E94-N96 PolarHBondContact O-N 3.1Å; E94-N96 VanDerWaalsContact O-N 3.07Å; N96-L161 HydrophobicContact CB-CD1 4.11Å
97	A	98.8	Very high	98.6	Very high	0 Å²	0	49 Å²	49	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-66.5	149.9	174.1	0	0	0	0	0	110.9	E94 N100 V101 A164 N165	E94-A97 WeakPolarHBondContact O-CB 3.2Å; E94-A97 PolarHBondContact O-N 3.49Å; A97-N100 CarbonylContact O-C 3.43Å; A97-N100 WeakPolarHBondContact O-CA 3.17Å; A97-N100 WeakPolarHBondContact O-CB 3.45Å; A97-N100 PolarHBondContact O-N 2.83Å; A97-V101 PolarHBondContact O-N 3.36Å; A97-A164 HydrophobicContact CB-CB 3.45Å; A97-A164 VanDerWaalsContact CB-CB 3.45Å; A97-N165 WeakPolarHBondContact CA-OD1 3.39Å
98	G	98.3	Very high	98.6	Very high	39 Å²	39	49.4 Å²	49.4	40%	0.402	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-43.9	-176.8	0	0	0	0	0	115	N100 N165	G98-N100 PolarHBondContact O-N 2.73Å; G98-N165 PolarHBondContact N-OD1 2.85Å
99	P	98.6	Very high	98.6	Very high	29 Å²	29	47 Å²	47	19%	0.188	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.3	176.4	-24.5	36.4	0	0	0	115.1	R68 S103 I168	R68-P99 PolarHBondContact NH1-O 3.16Å; R68-P99 PolarHBondContact NH2-O 2.84Å; R68-P99 VanDerWaalsContact NH2-O 3.14Å; P99-S103 WeakPolarHBondContact O-CB 3.48Å; P99-S103 PolarHBondContact O-OG 3.02Å; P99-I168 HydrophobicContact CB-CB 4.16Å; P99-I168 HydrophobicContact CB-CD1 4.12Å; P99-I168 HydrophobicContact CB-CG2 3.79Å; P99-I168 HydrophobicContact CG-CB 3.94Å; P99-I168 HydrophobicContact CG-CD1 4.36Å; P99-I168 HydrophobicContact CG-CG2 4.04Å
100	N	98.8	Very high	98.7	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-42.2	-172.6	-71.3	-31.8	0	0	0	113.4	H72 E94 K95 A97 G98 N102 S103 A104	H72-N100 PolarHBondContact CE1-OD1 2.72Å; H72-N100 PolarHBondContact ND1-OD1 3.29Å; E94-N100 VanDerWaalsContact O-CB 3.23Å; E94-N100 WeakPolarHBondContact O-CB 3.42Å; E94-N100 PolarHBondContact O-ND2 2.79Å; K95-N100 CarbonylContact O-C 3.46Å; A97-N100 CarbonylContact O-C 3.43Å; A97-N100 WeakPolarHBondContact O-CA 3.17Å; A97-N100 WeakPolarHBondContact O-CB 3.45Å; A97-N100 PolarHBondContact O-N 2.83Å; G98-N100 PolarHBondContact O-N 2.73Å; N100-N102 PolarHBondContact O-N 2.9Å; N100-S103 CarbonylContact O-C 3.52Å; N100-S103 WeakPolarHBondContact O-CA 3.37Å; N100-S103 VanDerWaalsContact O-CB 3.31Å; N100-S103 WeakPolarHBondContact O-CB 3.37Å; N100-S103 PolarHBondContact O-N 3.24Å; N100-A104 HydrophobicContact CB-CB 4.13Å; N100-A104 PolarHBondContact O-N 3.16Å
101	V	98.5	Very high	98.7	Very high	52 Å²	52	39.4 Å²	39.4	32%	0.315	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	129.4	-174.5	69.3	0	0	0	0	110.6	K95 A97 S103	K95-V101 WeakPolarHBondContact O-CA 3.1Å; K95-V101 PolarHBondContact O-N 3.23Å; A97-V101 PolarHBondContact O-N 3.36Å; V101-S103 WeakPolarHBondContact O-CB 3.31Å; V101-S103 PolarHBondContact O-N 2.9Å; V101-S103 VanDerWaalsContact O-N 3.08Å
102	N	98.1	Very high	98.7	Very high	156 Å²	156	43.1 Å²	43.1	83%	0.834	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	32.8	-175.3	-56	-47.4	0	0	0	113.3	N100 R205	N100-N102 PolarHBondContact O-N 2.9Å; N102-R205 PolarHBondContact O-NH1 3.42Å
103	S	98.6	Very high	98.8	Very high	27 Å²	27	37.6 Å²	37.6	19%	0.189	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144	-64.4	-169.6	-160.6	0	0	0	0	112	R68 P99 N100 V101 R205	R68-S103 PolarHBondContact NH1-OG 3.37Å; P99-S103 WeakPolarHBondContact O-CB 3.48Å; P99-S103 PolarHBondContact O-OG 3.02Å; N100-S103 CarbonylContact O-C 3.52Å; N100-S103 WeakPolarHBondContact O-CA 3.37Å; N100-S103 VanDerWaalsContact O-CB 3.31Å; N100-S103 WeakPolarHBondContact O-CB 3.37Å; N100-S103 PolarHBondContact O-N 3.24Å; V101-S103 WeakPolarHBondContact O-CB 3.31Å; V101-S103 PolarHBondContact O-N 2.9Å; V101-S103 VanDerWaalsContact O-N 3.08Å; S103-R205 VanDerWaalsContact CB-NH1 3.26Å; S103-R205 PolarHBondContact OG-NH1 2.79Å
104	A	98.7	Very high	98.8	Very high	19 Å²	19	37.8 Å²	37.8	16%	0.157	21%	0.211	C	C	.	.			trans	-66.2	141.6	175.6	0	0	0	0	0	110.4	L69 N100 F107	L69-A104 HydrophobicContact CD2-CB 3.98Å; N100-A104 HydrophobicContact CB-CB 4.13Å; N100-A104 PolarHBondContact O-N 3.16Å; A104-F107 HydrophobicContact CB-CE2 4.09Å; A104-F107 HydrophobicContact CB-CZ 3.85Å
105	R	98.9	Very high	98.8	Very high	80 Å²	80	41.5 Å²	41.5	30%	0.302	23%	0.234	S	C	.	.			trans	-155.5	169.7	-176.9	70.4	-177.6	-62.8	-78.9	1.3	111	D59 S65 L69	D59-R105 IonicContact OD1-NH1 3.18Å; D59-R105 IonicContact OD2-CZ 2.79Å; D59-R105 IonicContact OD2-NH1 3.34Å; D59-R105 PolarHBondContact OD2-NH1 2.83Å; D59-R105 IonicContact OD2-NH2 2.66Å; D59-R105 PolarHBondContact OD2-NH2 2.99Å; S65-R105 WeakPolarHBondContact OG-CD 3.47Å; S65-R105 VanDerWaalsContact OG-CG 3.31Å; S65-R105 WeakPolarHBondContact OG-CG 3.12Å; S65-R105 PolarHBondContact OG-NH1 2.73Å; L69-R105 WeakPolarHBondContact CD1-O 3.36Å
106	G	98.8	Very high	98.8	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.031	24%	0.239	C	C	.	.			trans	94.7	4.2	-180	0	0	0	0	0	114.1	N108 V109 V110	G106-N108 PolarHBondContact O-N 3.01Å; G106-V109 WeakPolarHBondContact O-CA 3Å; G106-V109 PolarHBondContact O-N 3.23Å; G106-V110 PolarHBondContact O-N 2.78Å
107	F	98.9	Very high	98.8	Very high	39 Å²	39	37.5 Å²	37.5	17%	0.171	22%	0.218	C	C	.	.	H	α-helix	trans	-53.2	-39.1	175.5	-58.2	-72.5	0	0	0	112.7	L69 I83 L84 K95 A104 V109 V110 D111	L69-F107 HydrophobicContact CD1-CD1 4.16Å; L69-F107 HydrophobicContact CD1-CE1 4.25Å; L69-F107 HydrophobicContact CD2-CD1 4.26Å; L69-F107 HydrophobicContact CD2-CE1 3.53Å; L69-F107 HydrophobicContact CD2-CE2 4.4Å; L69-F107 HydrophobicContact CD2-CZ 3.62Å; I83-F107 HydrophobicContact CG1-CE1 4.43Å; L84-F107 HydrophobicContact CD2-CD1 3.8Å; L84-F107 HydrophobicContact CD2-CE1 4.08Å; K95-F107 HydrophobicContact CD-CD1 4.46Å; K95-F107 HydrophobicContact CD-CD2 4.49Å; K95-F107 HydrophobicContact CD-CE1 4.16Å; K95-F107 HydrophobicContact CD-CE2 4.21Å; K95-F107 HydrophobicContact CD-CZ 4.04Å; K95-F107 HydrophobicContact CG-CE1 4.08Å; K95-F107 HydrophobicContact CG-CE2 4.22Å; K95-F107 HydrophobicContact CG-CZ 3.74Å; A104-F107 HydrophobicContact CB-CE2 4.09Å; A104-F107 HydrophobicContact CB-CZ 3.85Å; F107-V109 VanDerWaalsContact C-N 3.29Å; F107-V109 PolarHBondContact O-N 2.67Å; F107-V110 WeakPolarHBondContact O-CB 3.1Å; F107-V110 PolarHBondContact O-N 3.13Å; F107-D111 PolarHBondContact O-N 2.81Å
108	N	98.8	Very high	98.8	Very high	97 Å²	97	39 Å²	39	52%	0.519	23%	0.225	S	C	.	.	H	α-helix	trans	-64.6	-31.8	175.3	64.5	-54.3	0	0	0	113.1	G106 D111 N112	G106-N108 PolarHBondContact O-N 3.01Å; N108-D111 PolarHBondContact O-N 2.71Å; N108-N112 PolarHBondContact O-N 2.86Å; N108-N112 PolarHBondContact O-OD1 3.23Å
109	V	98.9	Very high	98.8	Very high	10 Å²	10	43.5 Å²	43.5	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-77.3	-33.7	175.9	179.4	0	0	0	0	110.5	A55 I62 L66 G106 F107 D111 N112 I113	A55-V109 HydrophobicContact CB-CG1 3.94Å; A55-V109 HydrophobicContact CB-CG2 4.28Å; I62-V109 HydrophobicContact CD1-CB 3.92Å; I62-V109 HydrophobicContact CD1-CG1 4.43Å; I62-V109 HydrophobicContact CD1-CG2 3.56Å; I62-V109 HydrophobicContact CG1-CB 4.07Å; I62-V109 HydrophobicContact CG1-CG1 4.02Å; I62-V109 HydrophobicContact CG1-CG2 3.82Å; L66-V109 HydrophobicContact CD1-CG1 4.23Å; G106-V109 WeakPolarHBondContact O-CA 3Å; G106-V109 PolarHBondContact O-N 3.23Å; F107-V109 VanDerWaalsContact C-N 3.29Å; F107-V109 PolarHBondContact O-N 2.67Å; V109-D111 VanDerWaalsContact C-N 3.31Å; V109-D111 PolarHBondContact O-N 3.37Å; V109-N112 PolarHBondContact O-N 3.25Å; V109-I113 HydrophobicContact CG1-CD1 4.26Å; V109-I113 WeakPolarHBondContact O-CD1 3.02Å; V109-I113 VanDerWaalsContact O-CG1 3.26Å; V109-I113 WeakPolarHBondContact O-CG1 3.34Å; V109-I113 PolarHBondContact O-N 3.43Å
110	V	98.9	Very high	98.8	Very high	1 Å²	1	45 Å²	45	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-58.4	-44.8	168	178.3	0	0	0	0	110.5	L66 L69 L84 G106 F107 N112 I113 K114 V130 L131	L66-V110 HydrophobicContact CD2-CG2 3.59Å; L69-V110 HydrophobicContact CD1-CG2 3.95Å; L84-V110 HydrophobicContact CD1-CG1 3.85Å; L84-V110 HydrophobicContact CD2-CG1 4.36Å; G106-V110 PolarHBondContact O-N 2.78Å; F107-V110 WeakPolarHBondContact O-CB 3.1Å; F107-V110 PolarHBondContact O-N 3.13Å; V110-N112 VanDerWaalsContact C-N 3.35Å; V110-N112 PolarHBondContact O-N 3.01Å; V110-I113 PolarHBondContact O-N 2.93Å; V110-K114 WeakPolarHBondContact O-CB 3.38Å; V110-K114 PolarHBondContact O-N 3.23Å; V110-V130 HydrophobicContact CG1-CG1 3.99Å; V110-L131 HydrophobicContact CG1-CD2 4.34Å; V110-L131 HydrophobicContact CG2-CD2 3.79Å
111	D	98.9	Very high	98.8	Very high	31 Å²	31	45.4 Å²	45.4	17%	0.166	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-40.5	175.2	-72.6	-18.5	0	0	0	112.5	F107 N108 V109 K114 T115 K330	F107-D111 PolarHBondContact O-N 2.81Å; N108-D111 PolarHBondContact O-N 2.71Å; V109-D111 VanDerWaalsContact C-N 3.31Å; V109-D111 PolarHBondContact O-N 3.37Å; D111-K114 PolarHBondContact O-N 3.34Å; D111-T115 VanDerWaalsContact O-CB 3.32Å; D111-T115 WeakPolarHBondContact O-CB 3.5Å; D111-T115 PolarHBondContact O-N 3Å; D111-T115 PolarHBondContact O-OG1 2.68Å; D111-K330 IonicContact OD1-NZ 3.17Å; D111-K330 PolarHBondContact OD1-NZ 2.65Å; D111-K330 WeakPolarHBondContact OD2-CD 3.42Å; D111-K330 WeakPolarHBondContact OD2-CE 3.34Å; D111-K330 IonicContact OD2-NZ 2.73Å; D111-K330 PolarHBondContact OD2-NZ 2.86Å
112	N	98.9	Very high	98.8	Very high	90 Å²	90	47.7 Å²	47.7	48%	0.481	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-42.8	176.5	-68.6	-14.7	0	0	0	111.7	T51 N108 V109 V110 T115 A116	T51-N112 HydrophobicContact CG2-CB 4.07Å; N108-N112 PolarHBondContact O-N 2.86Å; N108-N112 PolarHBondContact O-OD1 3.23Å; V109-N112 PolarHBondContact O-N 3.25Å; V110-N112 VanDerWaalsContact C-N 3.35Å; V110-N112 PolarHBondContact O-N 3.01Å; N112-T115 PolarHBondContact O-N 3.44Å; N112-A116 WeakPolarHBondContact O-CB 3.39Å; N112-A116 PolarHBondContact O-N 2.7Å
113	I	98.9	Very high	98.8	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-49.1	175	-67.4	160.7	0	0	0	109.6	V48 T51 I52 V109 V110 T115 A116 L117 V130 A134	V48-I113 HydrophobicContact CB-CG2 4.19Å; V48-I113 HydrophobicContact CG1-CD1 4.48Å; V48-I113 HydrophobicContact CG1-CG2 4.18Å; V48-I113 HydrophobicContact CG2-CG2 3.63Å; T51-I113 HydrophobicContact CG2-CB 4.43Å; T51-I113 HydrophobicContact CG2-CG1 3.62Å; I52-I113 HydrophobicContact CD1-CD1 3.96Å; I52-I113 HydrophobicContact CG1-CD1 3.73Å; I52-I113 HydrophobicContact CG1-CG1 4.38Å; V109-I113 HydrophobicContact CG1-CD1 4.26Å; V109-I113 WeakPolarHBondContact O-CD1 3.02Å; V109-I113 VanDerWaalsContact O-CG1 3.26Å; V109-I113 WeakPolarHBondContact O-CG1 3.34Å; V109-I113 PolarHBondContact O-N 3.43Å; V110-I113 PolarHBondContact O-N 2.93Å; I113-T115 VanDerWaalsContact C-N 3.34Å; I113-T115 PolarHBondContact O-N 3.09Å; I113-A116 PolarHBondContact O-N 3.04Å; I113-L117 HydrophobicContact CG2-CD1 3.86Å; I113-L117 HydrophobicContact CG2-CG 4.48Å; I113-L117 WeakPolarHBondContact O-CG 3.48Å; I113-L117 PolarHBondContact O-N 3.48Å; I113-V130 HydrophobicContact CB-CG1 4.16Å; I113-V130 HydrophobicContact CG2-CG1 3.65Å; I113-V130 HydrophobicContact CG2-CG2 4.37Å; I113-A134 HydrophobicContact CD1-CB 4.2Å
114	K	98.9	Very high	98.8	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-44.6	179.2	-179.1	57.8	170.7	167.8	0	111.5	V110 D111 A116 L117 E118 V125 R326 L327 C329	V110-K114 WeakPolarHBondContact O-CB 3.38Å; V110-K114 PolarHBondContact O-N 3.23Å; D111-K114 PolarHBondContact O-N 3.34Å; K114-A116 VanDerWaalsContact C-N 3.35Å; K114-A116 PolarHBondContact O-N 3Å; K114-L117 PolarHBondContact O-N 3.09Å; K114-E118 HydrophobicContact CD-CG 4.06Å; K114-E118 WeakPolarHBondContact CE-OE1 3.21Å; K114-E118 HydrophobicContact CG-CG 4.33Å; K114-E118 IonicContact NZ-OE1 3.84Å; K114-E118 PolarHBondContact NZ-OE1 2.82Å; K114-E118 WeakPolarHBondContact O-CB 3.39Å; K114-E118 WeakPolarHBondContact O-CG 3.36Å; K114-E118 PolarHBondContact O-N 3.04Å; K114-V125 PolarHBondContact NZ-O 3.46Å; K114-R326 WeakPolarHBondContact CE-O 3.46Å; K114-R326 PolarHBondContact NZ-O 2.88Å; K114-L327 WeakPolarHBondContact CE-O 3.44Å; K114-C329 VanDerWaalsContact CG-SG 3.59Å
115	T	98.9	Very high	98.8	Very high	78 Å²	78	41.4 Å²	41.4	48%	0.479	25%	0.245	S	C	.	.	H	α-helix	trans	-59.7	-44.8	176.3	-60.2	0	0	0	0	111.5	D111 N112 I113 L117 E118 N119	D111-T115 VanDerWaalsContact O-CB 3.32Å; D111-T115 WeakPolarHBondContact O-CB 3.5Å; D111-T115 PolarHBondContact O-N 3Å; D111-T115 PolarHBondContact O-OG1 2.68Å; N112-T115 PolarHBondContact O-N 3.44Å; I113-T115 VanDerWaalsContact C-N 3.34Å; I113-T115 PolarHBondContact O-N 3.09Å; T115-L117 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 3.32Å; T115-E118 PolarHBondContact O-N 3.32Å; T115-N119 WeakPolarHBondContact O-CB 3.25Å; T115-N119 PolarHBondContact O-N 3.35Å; T115-N119 PolarHBondContact O-ND2 2.85Å
116	A	98.9	Very high	98.8	Very high	30 Å²	30	37.6 Å²	37.6	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-39.2	177.1	0	0	0	0	0	112.2	I47 N112 I113 K114 A120	I47-A116 HydrophobicContact CG2-CB 3.69Å; N112-A116 WeakPolarHBondContact O-CB 3.39Å; N112-A116 PolarHBondContact O-N 2.7Å; I113-A116 PolarHBondContact O-N 3.04Å; K114-A116 VanDerWaalsContact C-N 3.35Å; K114-A116 PolarHBondContact O-N 3Å; A116-A120 PolarHBondContact O-N 3.23Å
117	L	98.9	Very high	98.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-43.9	175.5	-72.8	167.3	0	0	0	112.1	A44 I47 V48 I113 K114 T115 N119 A120 C121 V125 V130	A44-L117 HydrophobicContact CB-CD2 4Å; I47-L117 HydrophobicContact CB-CD2 4.05Å; I47-L117 HydrophobicContact CD1-CD2 4.25Å; I47-L117 HydrophobicContact CG2-CD2 3.94Å; I47-L117 HydrophobicContact CG2-CG 4.11Å; V48-L117 HydrophobicContact CG2-CD1 3.95Å; V48-L117 HydrophobicContact CG2-CD2 4.41Å; V48-L117 HydrophobicContact CG2-CG 4.49Å; I113-L117 HydrophobicContact CG2-CD1 3.86Å; I113-L117 HydrophobicContact CG2-CG 4.48Å; I113-L117 WeakPolarHBondContact O-CG 3.48Å; I113-L117 PolarHBondContact O-N 3.48Å; K114-L117 PolarHBondContact O-N 3.09Å; T115-L117 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 3.32Å; L117-N119 VanDerWaalsContact C-N 3.3Å; L117-N119 PolarHBondContact O-N 3.05Å; L117-A120 PolarHBondContact O-N 3.34Å; L117-A120 VanDerWaalsContact O-N 3.13Å; L117-C121 CarbonylContact O-C 3.46Å; L117-C121 WeakPolarHBondContact O-CA 3.46Å; L117-C121 WeakPolarHBondContact O-CB 3.45Å; L117-C121 PolarHBondContact O-N 2.66Å; L117-V125 HydrophobicContact CD1-CB 4.22Å; L117-V125 HydrophobicContact CD1-CG1 3.97Å; L117-V125 HydrophobicContact CD2-CG2 4.3Å; L117-V130 HydrophobicContact CD1-CG2 3.47Å; L117-V130 VanDerWaalsContact CD1-CG2 3.47Å
118	E	98.8	Very high	98.8	Very high	30 Å²	30	35.6 Å²	35.6	14%	0.14	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-35.3	177.6	-72.9	-58	122.6	0	0	112	K114 T115 A120 P122 G123 L327	K114-E118 HydrophobicContact CD-CG 4.06Å; K114-E118 WeakPolarHBondContact CE-OE1 3.21Å; K114-E118 HydrophobicContact CG-CG 4.33Å; K114-E118 IonicContact NZ-OE1 3.84Å; K114-E118 PolarHBondContact NZ-OE1 2.82Å; K114-E118 WeakPolarHBondContact O-CB 3.39Å; K114-E118 WeakPolarHBondContact O-CG 3.36Å; K114-E118 PolarHBondContact O-N 3.04Å; T115-E118 PolarHBondContact O-N 3.32Å; E118-A120 VanDerWaalsContact C-N 3.28Å; E118-A120 PolarHBondContact O-N 3.13Å; E118-P122 WeakPolarHBondContact O-CA 3.35Å; E118-P122 WeakPolarHBondContact O-CG 3.45Å; E118-G123 PolarHBondContact OE1-N 3.21Å; E118-G123 PolarHBondContact OE2-N 3.31Å; E118-L327 WeakPolarHBondContact OE2-CD2 3.18Å
119	N	98.7	Very high	98.8	Very high	134 Å²	134	31 Å²	31	72%	0.717	20%	0.196	S	C	*	.	H	α-helix	trans	-64.6	-32.4	174	-73	-23.4	0	0	0	112.8	T115 L117	T115-N119 WeakPolarHBondContact O-CB 3.25Å; T115-N119 PolarHBondContact O-N 3.35Å; T115-N119 PolarHBondContact O-ND2 2.85Å; L117-N119 VanDerWaalsContact C-N 3.3Å; L117-N119 PolarHBondContact O-N 3.05Å
120	A	98.7	Very high	98.9	Very high	61 Å²	61	30.5 Å²	30.5	50%	0.504	19%	0.193	S	C	.	.	H	α-helix	trans	-91.7	-34.2	-178.8	0	0	0	0	0	113.2	I47 A116 L117 E118	I47-A120 HydrophobicContact CD1-CB 3.58Å; A116-A120 PolarHBondContact O-N 3.23Å; L117-A120 PolarHBondContact O-N 3.34Å; L117-A120 VanDerWaalsContact O-N 3.13Å; E118-A120 VanDerWaalsContact C-N 3.28Å; E118-A120 PolarHBondContact O-N 3.13Å
121	C	98.7	Very high	98.9	Very high	11 Å²	11	30.4 Å²	30.4	7%	0.074	19%	0.193	C	C	.	.	S	Bend	trans	-145.2	70.4	-167.7	-52	0	0	0	0	110.2	C41 L117 G123 V124	C41-C121 WeakPolarHBondContact CA-SG 2.97Å; C41-C121 HydrophobicContact CB-CB 3.52Å; C41-C121 WeakPolarHBondContact CB-SG 3.47Å; C41-C121 WeakPolarHBondContact SG-CB 3.4Å; C41-C121 CovalentContact SG-SG 2.03Å; C41-C121 PolarHBondContact SG-SG 3.05Å; L117-C121 CarbonylContact O-C 3.46Å; L117-C121 WeakPolarHBondContact O-CA 3.46Å; L117-C121 WeakPolarHBondContact O-CB 3.45Å; L117-C121 PolarHBondContact O-N 2.66Å; C121-G123 PolarHBondContact O-N 2.8Å; C121-V124 HydrophobicContact CB-CB 4.05Å; C121-V124 HydrophobicContact CB-CG2 4.11Å; C121-V124 WeakPolarHBondContact O-CB 3.01Å; C121-V124 PolarHBondContact O-N 3.36Å
122	P	98.7	Very high	98.9	Very high	101 Å²	101	29.1 Å²	29.1	66%	0.656	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	125.7	-171.6	-22.1	31.1	0	0	0	112.8	E118 V124	E118-P122 WeakPolarHBondContact O-CA 3.35Å; E118-P122 WeakPolarHBondContact O-CG 3.45Å; P122-V124 VanDerWaalsContact C-N 3.29Å; P122-V124 PolarHBondContact O-N 3.18Å
123	G	98.6	Very high	98.9	Very high	35 Å²	35	25.1 Å²	25.1	36%	0.361	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	18.9	175.5	0	0	0	0	0	115.5	E118 C121	E118-G123 PolarHBondContact OE1-N 3.21Å; E118-G123 PolarHBondContact OE2-N 3.31Å; C121-G123 PolarHBondContact O-N 2.8Å
124	V	98.8	Very high	98.9	Very high	34 Å²	34	25.1 Å²	25.1	21%	0.206	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-54.4	-173.5	178	0	0	0	0	113.1	Y37 T40 C41 C121 P122	Y37-V124 HydrophobicContact CD1-CG1 3.59Å; Y37-V124 HydrophobicContact CE1-CG1 3.8Å; Y37-V124 VanDerWaalsContact CE1-O 3.31Å; Y37-V124 WeakPolarHBondContact CE1-O 3.35Å; T40-V124 WeakPolarHBondContact OG1-CG1 3.39Å; C41-V124 HydrophobicContact CB-CG1 3.94Å; C121-V124 HydrophobicContact CB-CB 4.05Å; C121-V124 HydrophobicContact CB-CG2 4.11Å; C121-V124 WeakPolarHBondContact O-CB 3.01Å; C121-V124 PolarHBondContact O-N 3.36Å; P122-V124 VanDerWaalsContact C-N 3.29Å; P122-V124 PolarHBondContact O-N 3.18Å
125	V	98.9	Very high	98.9	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-92.6	124.2	-166.9	-175.5	0	0	0	0	110.5	Y37 C41 A44 K114 L117 D129 V130	Y37-V125 HydrophobicContact CD1-CG2 4.37Å; Y37-V125 HydrophobicContact CD2-CG2 4.32Å; Y37-V125 HydrophobicContact CE1-CG2 4.28Å; Y37-V125 HydrophobicContact CE2-CB 4.42Å; Y37-V125 HydrophobicContact CE2-CG1 3.89Å; Y37-V125 HydrophobicContact CE2-CG2 4.25Å; Y37-V125 HydrophobicContact CG-CG2 4.4Å; C41-V125 HydrophobicContact CB-CG2 3.94Å; A44-V125 HydrophobicContact CB-CG2 4.25Å; K114-V125 PolarHBondContact NZ-O 3.46Å; L117-V125 HydrophobicContact CD1-CB 4.22Å; L117-V125 HydrophobicContact CD1-CG1 3.97Å; L117-V125 HydrophobicContact CD2-CG2 4.3Å; V125-D129 HydrophobicContact CG1-CB 4.43Å; V125-V130 HydrophobicContact CG1-CG2 4.17Å
126	S	98.9	Very high	98.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.144	C	C	.	.			trans	-70.2	152.7	178.9	67	0	0	0	0	111.7	Y37 S128 D129 V130 R153 D155	Y37-S126 PolarHBondContact OH-N 3.15Å; Y37-S126 VanDerWaalsContact OH-N 3.16Å; S126-S128 PolarHBondContact O-N 3.11Å; S126-D129 PolarHBondContact O-N 2.88Å; S126-D129 WeakPolarHBondContact OG-CB 3.49Å; S126-D129 PolarHBondContact OG-N 3.34Å; S126-D129 VanDerWaalsContact OG-N 3.08Å; S126-V130 WeakPolarHBondContact O-CG2 3.38Å; S126-V130 PolarHBondContact O-N 3.32Å; S126-R153 WeakPolarHBondContact CB-O 3.48Å; S126-R153 PolarHBondContact OG-O 2.85Å; S126-D155 WeakPolarHBondContact CA-OD2 3.21Å; S126-D155 WeakPolarHBondContact CB-OD1 3.16Å
127	C	99	Very high	98.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.4	-30	172.8	-66.6	0	0	0	0	112.2	A81 L84 V130 L131 D155 C329	A81-C127 HydrophobicContact CB-CB 3.78Å; L84-C127 HydrophobicContact CD1-CB 3.96Å; C127-V130 WeakPolarHBondContact O-CB 3.5Å; C127-V130 PolarHBondContact O-N 3.16Å; C127-L131 PolarHBondContact O-N 2.91Å; C127-L131 VanDerWaalsContact O-N 3.16Å; C127-D155 WeakPolarHBondContact CA-OD1 3.25Å; C127-D155 WeakPolarHBondContact CB-OD1 3.38Å; C127-D155 VanDerWaalsContact N-CG 3.3Å; C127-D155 PolarHBondContact N-OD1 3.44Å; C127-D155 PolarHBondContact N-OD2 2.7Å; C127-C329 HydrophobicContact CB-CB 3.83Å; C127-C329 WeakPolarHBondContact CB-SG 3.5Å; C127-C329 WeakPolarHBondContact SG-CA 3.35Å; C127-C329 WeakPolarHBondContact SG-CB 3.17Å; C127-C329 CovalentContact SG-SG 2.04Å; C127-C329 PolarHBondContact SG-SG 2.78Å
128	S	98.9	Very high	98.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.7	-46.8	174.9	-51.3	0	0	0	0	110.9	D80 A81 S126 V130 L131 A132 R154 D155	D80-S128 WeakPolarHBondContact CA-OG 3.28Å; D80-S128 PolarHBondContact O-OG 3Å; A81-S128 WeakPolarHBondContact CB-OG 3.42Å; A81-S128 PolarHBondContact N-OG 3.23Å; S126-S128 PolarHBondContact O-N 3.11Å; S128-V130 VanDerWaalsContact C-N 3.33Å; S128-L131 PolarHBondContact O-N 3.4Å; S128-A132 PolarHBondContact O-N 3.08Å; S128-R154 PolarHBondContact OG-O 3.2Å; S128-D155 WeakPolarHBondContact CB-OD1 3.45Å; S128-D155 PolarHBondContact N-OD1 3.39Å; S128-D155 PolarHBondContact OG-OD1 3.18Å
129	D	98.9	Very high	98.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-72.8	-25.4	175.8	-76.9	-18.7	0	0	0	112.7	Y37 V125 S126 A132 L133 L151 G152 R153	Y37-D129 HydrophobicContact CE2-CB 4.08Å; Y37-D129 WeakPolarHBondContact CE2-OD2 3.36Å; Y37-D129 PolarHBondContact OH-OD2 3.44Å; Y37-D129 VanDerWaalsContact OH-OD2 3.07Å; V125-D129 HydrophobicContact CG1-CB 4.43Å; S126-D129 PolarHBondContact O-N 2.88Å; S126-D129 WeakPolarHBondContact OG-CB 3.49Å; S126-D129 PolarHBondContact OG-N 3.34Å; S126-D129 VanDerWaalsContact OG-N 3.08Å; D129-A132 PolarHBondContact O-N 3.07Å; D129-L133 WeakPolarHBondContact O-CB 3.17Å; D129-L133 VanDerWaalsContact O-CG 3.29Å; D129-L133 WeakPolarHBondContact O-CG 3.29Å; D129-L133 PolarHBondContact O-N 3.31Å; D129-L151 HydrophobicContact CB-CD2 3.96Å; D129-G152 WeakPolarHBondContact OD2-CA 3.5Å; D129-G152 PolarHBondContact OD2-N 3.04Å; D129-R153 VanDerWaalsContact OD1-CB 3.31Å; D129-R153 WeakPolarHBondContact OD1-CB 3.44Å; D129-R153 WeakPolarHBondContact OD1-CG 3.31Å; D129-R153 IonicContact OD1-CZ 2.71Å; D129-R153 PolarHBondContact OD1-N 3.03Å; D129-R153 IonicContact OD1-NH1 3.83Å; D129-R153 PolarHBondContact OD1-NH1 2.85Å; D129-R153 PolarHBondContact OD2-N 3.03Å; D129-R153 VanDerWaalsContact OD2-N 3.17Å
130	V	99	Very high	98.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.8	-47	168.7	167.7	0	0	0	0	111	V110 I113 L117 V125 S126 C127 S128 A132 L133 A134	V110-V130 HydrophobicContact CG1-CG1 3.99Å; I113-V130 HydrophobicContact CB-CG1 4.16Å; I113-V130 HydrophobicContact CG2-CG1 3.65Å; I113-V130 HydrophobicContact CG2-CG2 4.37Å; L117-V130 HydrophobicContact CD1-CG2 3.47Å; L117-V130 VanDerWaalsContact CD1-CG2 3.47Å; V125-V130 HydrophobicContact CG1-CG2 4.17Å; S126-V130 WeakPolarHBondContact O-CG2 3.38Å; S126-V130 PolarHBondContact O-N 3.32Å; C127-V130 WeakPolarHBondContact O-CB 3.5Å; C127-V130 PolarHBondContact O-N 3.16Å; S128-V130 VanDerWaalsContact C-N 3.33Å; V130-A132 PolarHBondContact O-N 3.1Å; V130-L133 PolarHBondContact O-N 3.06Å; V130-A134 WeakPolarHBondContact O-CB 3.48Å; V130-A134 PolarHBondContact O-N 3.1Å
131	L	99	Very high	98.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.2	-39.6	178.6	-69	-177.4	0	0	0	112.4	L69 H70 D73 I83 L84 V110 C127 S128 A134 S135	L69-L131 HydrophobicContact CB-CD2 4.06Å; L69-L131 HydrophobicContact CD1-CD2 4.49Å; H70-L131 HydrophobicContact CB-CB 4.08Å; D73-L131 HydrophobicContact CB-CD1 3.93Å; I83-L131 HydrophobicContact CG2-CD1 4.19Å; L84-L131 HydrophobicContact CD1-CD1 3.99Å; L84-L131 HydrophobicContact CD1-CD2 4.39Å; L84-L131 HydrophobicContact CD1-CG 4.1Å; L84-L131 HydrophobicContact CD2-CD1 4.19Å; L84-L131 HydrophobicContact CD2-CD2 4.28Å; L84-L131 HydrophobicContact CG-CD1 4.09Å; V110-L131 HydrophobicContact CG1-CD2 4.34Å; V110-L131 HydrophobicContact CG2-CD2 3.79Å; C127-L131 PolarHBondContact O-N 2.91Å; C127-L131 VanDerWaalsContact O-N 3.16Å; S128-L131 PolarHBondContact O-N 3.4Å; L131-A134 PolarHBondContact O-N 2.77Å; L131-S135 WeakPolarHBondContact O-CB 3.29Å; L131-S135 PolarHBondContact O-N 2.78Å; L131-S135 PolarHBondContact O-OG 2.95Å
132	A	98.9	Very high	98.9	Very high	3 Å²	3	13.3 Å²	13.3	3%	0.025	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-48.6	176.9	0	0	0	0	0	111.9	S128 D129 V130 S135 E136 V149	S128-A132 PolarHBondContact O-N 3.08Å; D129-A132 PolarHBondContact O-N 3.07Å; V130-A132 PolarHBondContact O-N 3.1Å; A132-S135 PolarHBondContact O-N 2.64Å; A132-E136 PolarHBondContact O-N 3.09Å; A132-V149 HydrophobicContact CB-CG1 3.8Å
133	L	99	Very high	98.9	Very high	7 Å²	7	11 Å²	11	4%	0.037	9%	0.085	C	C	.	.	H	α-helix	trans	-63.8	-40.8	176.2	-72	167.9	0	0	0	111.8	A44 V48 D129 V130 S135 E136 A137 V149 L151	A44-L133 HydrophobicContact CB-CD1 4.42Å; V48-L133 HydrophobicContact CB-CB 4.27Å; V48-L133 HydrophobicContact CG1-CB 3.95Å; V48-L133 HydrophobicContact CG2-CB 3.98Å; V48-L133 HydrophobicContact CG2-CD1 4.06Å; D129-L133 WeakPolarHBondContact O-CB 3.17Å; D129-L133 VanDerWaalsContact O-CG 3.29Å; D129-L133 WeakPolarHBondContact O-CG 3.29Å; D129-L133 PolarHBondContact O-N 3.31Å; V130-L133 PolarHBondContact O-N 3.06Å; L133-S135 VanDerWaalsContact C-N 3.27Å; L133-S135 PolarHBondContact O-N 2.82Å; L133-E136 PolarHBondContact O-N 2.61Å; L133-A137 WeakPolarHBondContact O-CB 3.36Å; L133-A137 PolarHBondContact O-N 2.77Å; L133-V149 HydrophobicContact CD2-CB 4.24Å; L133-V149 HydrophobicContact CD2-CG1 4.33Å; L133-V149 HydrophobicContact CD2-CG2 4.41Å; L133-L151 HydrophobicContact CD1-CD2 4.12Å; L133-L151 HydrophobicContact CD2-CD1 4.32Å; L133-L151 HydrophobicContact CD2-CD2 3.93Å; L133-L151 HydrophobicContact CG-CD2 3.79Å
134	A	99	Very high	98.9	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.4	-34.5	179.7	0	0	0	0	0	111.9	V48 I52 L66 I113 V130 L131 S138	V48-A134 HydrophobicContact CG1-CB 4.18Å; I52-A134 HydrophobicContact CD1-CB 3.71Å; L66-A134 HydrophobicContact CB-CB 4.43Å; L66-A134 HydrophobicContact CD1-CB 4.43Å; I113-A134 HydrophobicContact CD1-CB 4.2Å; V130-A134 WeakPolarHBondContact O-CB 3.48Å; V130-A134 PolarHBondContact O-N 3.1Å; L131-A134 PolarHBondContact O-N 2.77Å; A134-S138 WeakPolarHBondContact O-CB 3.19Å; A134-S138 PolarHBondContact O-N 2.97Å; A134-S138 PolarHBondContact O-OG 3.16Å
135	S	98.9	Very high	98.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65	-47.6	177.2	-61	0	0	0	0	112.1	H70 L131 A132 L133 S138 V139	H70-S135 WeakPolarHBondContact CB-OG 3.32Å; H70-S135 PolarHBondContact CD2-OG 3.17Å; L131-S135 WeakPolarHBondContact O-CB 3.29Å; L131-S135 PolarHBondContact O-N 2.78Å; L131-S135 PolarHBondContact O-OG 2.95Å; A132-S135 PolarHBondContact O-N 2.64Å; L133-S135 VanDerWaalsContact C-N 3.27Å; L133-S135 PolarHBondContact O-N 2.82Å; S135-S138 PolarHBondContact O-N 3.43Å; S135-V139 WeakPolarHBondContact O-CG2 3.42Å; S135-V139 PolarHBondContact O-N 3.01Å; S135-V139 VanDerWaalsContact O-N 3.12Å
136	E	98.9	Very high	98.9	Very high	14 Å²	14	12.9 Å²	12.9	7%	0.065	10%	0.096	C	C	.	.	H	α-helix	trans	-62.1	-48.9	176.2	-168.9	-79.2	158.9	0	0	111.7	A132 L133 S138 V139 S140 S146 W147 V149	A132-E136 PolarHBondContact O-N 3.09Å; L133-E136 PolarHBondContact O-N 2.61Å; E136-S138 VanDerWaalsContact C-N 3.28Å; E136-S138 PolarHBondContact O-N 2.72Å; E136-V139 PolarHBondContact O-N 3.44Å; E136-S140 VanDerWaalsContact O-CB 3.31Å; E136-S140 WeakPolarHBondContact O-CB 3.11Å; E136-S140 PolarHBondContact O-N 3.49Å; E136-S146 WeakPolarHBondContact OE1-CA 3.47Å; E136-S146 WeakPolarHBondContact OE1-CB 3.48Å; E136-S146 PolarHBondContact OE1-OG 2.78Å; E136-W147 HydrophobicContact CB-CD2 4.11Å; E136-W147 HydrophobicContact CB-CE3 4.48Å; E136-W147 HydrophobicContact CB-CH2 4.02Å; E136-W147 HydrophobicContact CB-CZ2 3.56Å; E136-W147 HydrophobicContact CB-CZ3 4.43Å; E136-W147 HydrophobicContact CG-CD2 3.57Å; E136-W147 HydrophobicContact CG-CE3 3.84Å; E136-W147 HydrophobicContact CG-CG 4.03Å; E136-W147 HydrophobicContact CG-CH2 4.25Å; E136-W147 HydrophobicContact CG-CZ2 3.98Å; E136-W147 HydrophobicContact CG-CZ3 4.16Å; E136-W147 PolarHBondContact OE1-N 3.17Å; E136-V149 HydrophobicContact CB-CG2 3.44Å; E136-V149 VanDerWaalsContact CB-CG2 3.44Å; E136-V149 HydrophobicContact CG-CG2 3.82Å
137	A	98.9	Very high	98.9	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-60	-41.4	179.5	0	0	0	0	0	111.6	V48 R49 I52 L133 L141	V48-A137 HydrophobicContact CG1-CB 4.44Å; R49-A137 HydrophobicContact CB-CB 4.11Å; R49-A137 HydrophobicContact CG-CB 4.33Å; I52-A137 HydrophobicContact CD1-CB 3.88Å; L133-A137 WeakPolarHBondContact O-CB 3.36Å; L133-A137 PolarHBondContact O-N 2.77Å; A137-L141 WeakPolarHBondContact O-CB 3.35Å; A137-L141 WeakPolarHBondContact O-CD1 3.37Å; A137-L141 WeakPolarHBondContact O-CG 3.5Å; A137-L141 PolarHBondContact O-N 3.47Å
138	S	98.9	Very high	98.9	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-44.5	179.9	-65.8	0	0	0	0	112.6	G63 A134 S135 E136 A142	G63-S138 VanDerWaalsContact CA-CB 3.48Å; G63-S138 WeakPolarHBondContact CA-OG 3.39Å; G63-S138 WeakPolarHBondContact O-CB 3.39Å; A134-S138 WeakPolarHBondContact O-CB 3.19Å; A134-S138 PolarHBondContact O-N 2.97Å; A134-S138 PolarHBondContact O-OG 3.16Å; S135-S138 PolarHBondContact O-N 3.43Å; E136-S138 VanDerWaalsContact C-N 3.28Å; E136-S138 PolarHBondContact O-N 2.72Å; S138-A142 WeakPolarHBondContact O-CB 3.28Å; S138-A142 PolarHBondContact O-N 3.38Å
139	V	98.9	Very high	98.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-69.1	-47.4	179.3	169.6	0	0	0	0	110.9	I67 S135 E136 L141 A142 G143 G144 P145 W147 F201 F258 F305	I67-V139 HydrophobicContact CD1-CG2 3.43Å; I67-V139 VanDerWaalsContact CD1-CG2 3.43Å; S135-V139 WeakPolarHBondContact O-CG2 3.42Å; S135-V139 PolarHBondContact O-N 3.01Å; S135-V139 VanDerWaalsContact O-N 3.12Å; E136-V139 PolarHBondContact O-N 3.44Å; V139-L141 PolarHBondContact O-N 3Å; V139-A142 PolarHBondContact O-N 3.35Å; V139-A142 VanDerWaalsContact O-N 3.11Å; V139-G143 PolarHBondContact O-N 3.34Å; V139-G144 WeakPolarHBondContact O-CA 3.04Å; V139-G144 PolarHBondContact O-N 3.32Å; V139-P145 HydrophobicContact CG1-CG 4.28Å; V139-W147 HydrophobicContact CB-CH2 3.9Å; V139-W147 HydrophobicContact CB-CZ3 3.82Å; V139-W147 HydrophobicContact CG1-CH2 4.29Å; V139-W147 HydrophobicContact CG1-CZ3 3.77Å; V139-W147 HydrophobicContact CG2-CH2 3.99Å; V139-W147 HydrophobicContact CG2-CZ3 4.32Å; V139-F201 HydrophobicContact CG2-CZ 4.42Å; V139-F258 HydrophobicContact CB-CD2 4.26Å; V139-F258 HydrophobicContact CB-CE2 4.4Å; V139-F258 HydrophobicContact CG1-CB 4.5Å; V139-F258 HydrophobicContact CG1-CD1 3.78Å; V139-F258 HydrophobicContact CG1-CD2 3.81Å; V139-F258 HydrophobicContact CG1-CE1 3.9Å; V139-F258 HydrophobicContact CG1-CE2 3.91Å; V139-F258 HydrophobicContact CG1-CG 3.75Å; V139-F258 HydrophobicContact CG1-CZ 3.97Å; V139-F258 HydrophobicContact CG2-CD2 3.86Å; V139-F258 HydrophobicContact CG2-CE2 3.7Å; V139-F258 HydrophobicContact CG2-CZ 4.35Å; V139-F305 HydrophobicContact CG1-CE1 4.2Å; V139-F305 HydrophobicContact CG2-CE1 4.01Å; V139-F305 HydrophobicContact CG2-CZ 4.42Å
140	S	98.9	Very high	98.9	Very high	20 Å²	20	21.7 Å²	21.7	14%	0.14	14%	0.144	C	C	.	.	H	α-helix	trans	-61.7	-41	178.2	176.2	0	0	0	0	112.1	R49 E136 A142 G143 S146	R49-S140 PolarHBondContact NH1-OG 3.06Å; E136-S140 VanDerWaalsContact O-CB 3.31Å; E136-S140 WeakPolarHBondContact O-CB 3.11Å; E136-S140 PolarHBondContact O-N 3.49Å; S140-A142 VanDerWaalsContact C-N 3.26Å; S140-A142 PolarHBondContact O-N 3.3Å; S140-G143 PolarHBondContact O-N 3.44Å; S140-G143 VanDerWaalsContact O-N 3.16Å; S140-S146 WeakPolarHBondContact CB-OG 3.42Å; S140-S146 PolarHBondContact OG-OG 3.18Å
141	L	98.9	Very high	98.9	Very high	43 Å²	43	22.3 Å²	22.3	23%	0.225	15%	0.148	C	C	.	.	H	α-helix	trans	-66.4	-26.6	175.6	-76.4	165.9	0	0	0	113.1	R49 I52 Q53 L56 A137 V139 G143	R49-L141 HydrophobicContact CG-CD1 4.07Å; R49-L141 HydrophobicContact CG-CD2 4.37Å; R49-L141 HydrophobicContact CG-CG 4.28Å; I52-L141 HydrophobicContact CB-CD1 4.08Å; I52-L141 HydrophobicContact CG2-CD1 3.79Å; Q53-L141 HydrophobicContact CB-CD1 4.09Å; Q53-L141 HydrophobicContact CB-CD2 4.11Å; Q53-L141 HydrophobicContact CG-CD2 4.17Å; L56-L141 HydrophobicContact CD1-CB 3.92Å; L56-L141 HydrophobicContact CD1-CD1 3.98Å; L56-L141 HydrophobicContact CD1-CG 4.48Å; A137-L141 WeakPolarHBondContact O-CB 3.35Å; A137-L141 WeakPolarHBondContact O-CD1 3.37Å; A137-L141 WeakPolarHBondContact O-CG 3.5Å; A137-L141 PolarHBondContact O-N 3.47Å; V139-L141 PolarHBondContact O-N 3Å; L141-G143 VanDerWaalsContact C-N 3.27Å
142	A	98.8	Very high	98.8	Very high	21 Å²	21	22.6 Å²	22.6	17%	0.174	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	4.8	174.9	0	0	0	0	0	113.5	S138 V139 S140 F201 F258	S138-A142 WeakPolarHBondContact O-CB 3.28Å; S138-A142 PolarHBondContact O-N 3.38Å; V139-A142 PolarHBondContact O-N 3.35Å; V139-A142 VanDerWaalsContact O-N 3.11Å; S140-A142 VanDerWaalsContact C-N 3.26Å; S140-A142 PolarHBondContact O-N 3.3Å; A142-F201 HydrophobicContact CB-CD2 3.9Å; A142-F201 HydrophobicContact CB-CE2 3.9Å; A142-F258 HydrophobicContact CB-CB 3.79Å; A142-F258 PolarHBondContact O-N 2.85Å
143	G	98.8	Very high	98.8	Very high	53 Å²	53	22.7 Å²	22.7	55%	0.546	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	3.3	179.4	0	0	0	0	0	114.9	V139 S140 L141	V139-G143 PolarHBondContact O-N 3.34Å; S140-G143 PolarHBondContact O-N 3.44Å; S140-G143 VanDerWaalsContact O-N 3.16Å; L141-G143 VanDerWaalsContact C-N 3.27Å
144	G	98.9	Very high	98.8	Very high	12 Å²	12	25.1 Å²	25.1	12%	0.124	16%	0.159	C	C	.	.			trans	-77.7	-173.9	177.4	0	0	0	0	0	113.8	V139	V139-G144 WeakPolarHBondContact O-CA 3.04Å; V139-G144 PolarHBondContact O-N 3.32Å
145	P	98.8	Very high	98.8	Very high	16 Å²	16	25.1 Å²	25.1	10%	0.104	16%	0.159	C	C	.	.			trans	-67.6	153.1	178.1	28.4	-33.5	0	0	0	112	V139 W147 F302 F305	V139-P145 HydrophobicContact CG1-CG 4.28Å; P145-W147 WeakPolarHBondContact O-CZ3 3.49Å; P145-F302 HydrophobicContact CB-CB 3.93Å; P145-F302 HydrophobicContact CB-CD2 4.18Å; P145-F302 HydrophobicContact CB-CG 4.14Å; P145-F302 HydrophobicContact CG-CB 3.98Å; P145-F302 HydrophobicContact CG-CD1 4.35Å; P145-F302 HydrophobicContact CG-CD2 4.38Å; P145-F302 HydrophobicContact CG-CG 4.01Å; P145-F305 HydrophobicContact CG-CD1 4.27Å
146	S	98.8	Very high	98.8	Very high	79 Å²	79	25.2 Å²	25.2	55%	0.552	16%	0.16	S	C	*	.			trans	-95.3	150.9	158.7	-85.6	0	0	0	0	110.6	E136 S140	E136-S146 WeakPolarHBondContact OE1-CA 3.47Å; E136-S146 WeakPolarHBondContact OE1-CB 3.48Å; E136-S146 PolarHBondContact OE1-OG 2.78Å; S140-S146 WeakPolarHBondContact CB-OG 3.42Å; S140-S146 PolarHBondContact OG-OG 3.18Å
147	W	98.8	Very high	98.8	Very high	30 Å²	30	29.2 Å²	29.2	11%	0.114	18%	0.181	C	C	.	.			trans	-144.7	163	174.1	65.5	91.7	0	0	0	111.6	E136 V139 P145 V149 F305 A306 M309 I310	E136-W147 HydrophobicContact CB-CD2 4.11Å; E136-W147 HydrophobicContact CB-CE3 4.48Å; E136-W147 HydrophobicContact CB-CH2 4.02Å; E136-W147 HydrophobicContact CB-CZ2 3.56Å; E136-W147 HydrophobicContact CB-CZ3 4.43Å; E136-W147 HydrophobicContact CG-CD2 3.57Å; E136-W147 HydrophobicContact CG-CE3 3.84Å; E136-W147 HydrophobicContact CG-CG 4.03Å; E136-W147 HydrophobicContact CG-CH2 4.25Å; E136-W147 HydrophobicContact CG-CZ2 3.98Å; E136-W147 HydrophobicContact CG-CZ3 4.16Å; E136-W147 PolarHBondContact OE1-N 3.17Å; V139-W147 HydrophobicContact CB-CH2 3.9Å; V139-W147 HydrophobicContact CB-CZ3 3.82Å; V139-W147 HydrophobicContact CG1-CH2 4.29Å; V139-W147 HydrophobicContact CG1-CZ3 3.77Å; V139-W147 HydrophobicContact CG2-CH2 3.99Å; V139-W147 HydrophobicContact CG2-CZ3 4.32Å; P145-W147 WeakPolarHBondContact O-CZ3 3.49Å; W147-V149 PolarHBondContact O-N 3.31Å; W147-F305 HydrophobicContact CH2-CE1 4.09Å; W147-F305 HydrophobicContact CZ3-CD1 4.34Å; W147-F305 HydrophobicContact CZ3-CE1 4.18Å; W147-A306 HydrophobicContact CB-CB 3.8Å; W147-A306 HydrophobicContact CE3-CB 4.43Å; W147-A306 HydrophobicContact CG-CB 4.36Å; W147-M309 HydrophobicContact CH2-CB 4.41Å; W147-M309 HydrophobicContact CH2-CE 4.39Å; W147-M309 HydrophobicContact CH2-CG 4.06Å; W147-M309 HydrophobicContact CZ2-CB 3.84Å; W147-M309 HydrophobicContact CZ2-CE 3.93Å; W147-M309 HydrophobicContact CZ2-CG 3.93Å; W147-I310 HydrophobicContact CB-CD1 4.46Å
148	T	98.7	Very high	98.8	Very high	94 Å²	94	33.2 Å²	33.2	58%	0.577	21%	0.205	S	C	*	.			trans	-82.3	102.9	176.6	-60.1	0	0	0	0	109.3	A34 L150	A34-T148 HydrophobicContact CB-CG2 3.27Å; T148-L150 PolarHBondContact O-N 3.12Å
149	V	98.7	Very high	98.8	Very high	18 Å²	18	34.2 Å²	34.2	11%	0.109	21%	0.213	C	C	.	.			trans	-66.6	127.1	175.7	-173.9	0	0	0	0	109.5	A132 L133 E136 W147 L151	A132-V149 HydrophobicContact CB-CG1 3.8Å; L133-V149 HydrophobicContact CD2-CB 4.24Å; L133-V149 HydrophobicContact CD2-CG1 4.33Å; L133-V149 HydrophobicContact CD2-CG2 4.41Å; E136-V149 HydrophobicContact CB-CG2 3.44Å; E136-V149 VanDerWaalsContact CB-CG2 3.44Å; E136-V149 HydrophobicContact CG-CG2 3.82Å; W147-V149 PolarHBondContact O-N 3.31Å; V149-L151 HydrophobicContact CB-CD2 4.44Å; V149-L151 HydrophobicContact CG1-CD2 3.73Å; V149-L151 HydrophobicContact CG1-CG 4.41Å
150	L	98.7	Very high	98.8	Very high	43 Å²	43	36.6 Å²	36.6	23%	0.225	23%	0.226	C	C	.	.			trans	-81.5	138.8	169.6	-56.3	-176.3	0	0	0	109.4	L32 A34 T148 R153 I310	L32-L150 HydrophobicContact CB-CB 3.91Å; A34-L150 HydrophobicContact CB-CD2 4.49Å; T148-L150 PolarHBondContact O-N 3.12Å; L150-R153 PolarHBondContact O-NH1 3.42Å; L150-R153 PolarHBondContact O-NH2 2.98Å; L150-I310 HydrophobicContact CD1-CG2 4.02Å; L150-I310 HydrophobicContact CG-CG2 4.38Å
151	L	98.8	Very high	98.8	Very high	14 Å²	14	38.1 Å²	38.1	7%	0.073	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-131.2	169.3	-170.3	-56.9	168.3	0	0	0	110.6	L32 N33 F36 Y37 D129 L133 V149	L32-L151 CarbonylContact C-O 3.57Å; L32-L151 WeakPolarHBondContact CA-O 3.36Å; N33-L151 PolarHBondContact N-O 3.06Å; N33-L151 PolarHBondContact O-N 3.13Å; F36-L151 HydrophobicContact CB-CB 3.84Å; Y37-L151 HydrophobicContact CD2-CB 4.31Å; Y37-L151 HydrophobicContact CD2-CD1 3.91Å; Y37-L151 HydrophobicContact CE2-CB 4.17Å; Y37-L151 HydrophobicContact CE2-CD1 4.42Å; D129-L151 HydrophobicContact CB-CD2 3.96Å; L133-L151 HydrophobicContact CD1-CD2 4.12Å; L133-L151 HydrophobicContact CD2-CD1 4.32Å; L133-L151 HydrophobicContact CD2-CD2 3.93Å; L133-L151 HydrophobicContact CG-CD2 3.79Å; V149-L151 HydrophobicContact CB-CD2 4.44Å; V149-L151 HydrophobicContact CG1-CD2 3.73Å; V149-L151 HydrophobicContact CG1-CG 4.41Å
152	G	98.5	Very high	98.8	Very high	5 Å²	5	39.3 Å²	39.3	5%	0.052	25%	0.248	C	C	.	.			trans	110.8	12.7	-175.8	0	0	0	0	0	114.2	L32 F36 D129	L32-G152 VanDerWaalsContact CD2-C 3.42Å; F36-G152 VanDerWaalsContact CD2-CA 3.48Å; D129-G152 WeakPolarHBondContact OD2-CA 3.5Å; D129-G152 PolarHBondContact OD2-N 3.04Å
153	R	98.8	Very high	98.8	Very high	5 Å²	5	38.6 Å²	38.6	2%	0.019	24%	0.243	C	C	.	.			trans	-70.6	155.3	173.4	-61.8	177.3	-169.2	71.3	5	109.9	L32 C79 S126 D129 L150 G313 P317 L318	L32-R153 HydrophobicContact CD1-CG 3.87Å; L32-R153 HydrophobicContact CD2-CG 3.78Å; C79-R153 WeakPolarHBondContact O-CD 3.04Å; S126-R153 WeakPolarHBondContact CB-O 3.48Å; S126-R153 PolarHBondContact OG-O 2.85Å; D129-R153 VanDerWaalsContact OD1-CB 3.31Å; D129-R153 WeakPolarHBondContact OD1-CB 3.44Å; D129-R153 WeakPolarHBondContact OD1-CG 3.31Å; D129-R153 IonicContact OD1-CZ 2.71Å; D129-R153 PolarHBondContact OD1-N 3.03Å; D129-R153 IonicContact OD1-NH1 3.83Å; D129-R153 PolarHBondContact OD1-NH1 2.85Å; D129-R153 PolarHBondContact OD2-N 3.03Å; D129-R153 VanDerWaalsContact OD2-N 3.17Å; L150-R153 PolarHBondContact O-NH1 3.42Å; L150-R153 PolarHBondContact O-NH2 2.98Å; R153-G313 PolarHBondContact NE-O 3.29Å; R153-G313 PolarHBondContact NH2-O 2.89Å; R153-P317 HydrophobicContact CG-CB 3.9Å; R153-L318 CarbonylContact C-O 3.56Å; R153-L318 WeakPolarHBondContact CA-O 3.05Å
154	R	98.9	Very high	98.8	Very high	59 Å²	59	36.1 Å²	36.1	22%	0.223	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-124.4	156.4	175.3	-66.4	-178.9	63.3	86.1	-6.5	110.2	S128 L318 G320 N322 G323 E324 I325	S128-R154 PolarHBondContact OG-O 3.2Å; R154-L318 HydrophobicContact CB-CB 4.05Å; R154-L318 PolarHBondContact N-O 3.19Å; R154-G320 WeakPolarHBondContact CD-O 3.5Å; R154-G320 PolarHBondContact NE-O 3.42Å; R154-N322 WeakPolarHBondContact CB-O 3.27Å; R154-N322 WeakPolarHBondContact CD-O 3.31Å; R154-N322 PolarHBondContact NE-O 3.49Å; R154-G323 PolarHBondContact NE-O 3.23Å; R154-G323 VanDerWaalsContact NE-O 3.16Å; R154-G323 PolarHBondContact NH2-O 3.35Å; R154-E324 VanDerWaalsContact NH2-CA 3.34Å; R154-I325 HydrophobicContact CG-CD1 4.28Å
155	D	98.9	Very high	98.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-87.5	138.4	-170.3	-57.2	-39.4	0	0	0	111.1	D80 S126 C127 S128 G323 E324 R326	D80-D155 WeakPolarHBondContact O-CA 3.35Å; S126-D155 WeakPolarHBondContact CA-OD2 3.21Å; S126-D155 WeakPolarHBondContact CB-OD1 3.16Å; C127-D155 WeakPolarHBondContact CA-OD1 3.25Å; C127-D155 WeakPolarHBondContact CB-OD1 3.38Å; C127-D155 VanDerWaalsContact N-CG 3.3Å; C127-D155 PolarHBondContact N-OD1 3.44Å; C127-D155 PolarHBondContact N-OD2 2.7Å; S128-D155 WeakPolarHBondContact CB-OD1 3.45Å; S128-D155 PolarHBondContact N-OD1 3.39Å; S128-D155 PolarHBondContact OG-OD1 3.18Å; D155-G323 CarbonylContact O-C 3.44Å; D155-G323 WeakPolarHBondContact O-CA 3.36Å; D155-E324 HydrophobicContact CB-CG 4.37Å; D155-E324 WeakPolarHBondContact CB-O 3.4Å; D155-E324 PolarHBondContact N-O 3.11Å; D155-E324 PolarHBondContact O-N 3.04Å; D155-R326 HydrophobicContact CB-CB 4.29Å; D155-R326 HydrophobicContact CB-CG 4.14Å; D155-R326 PolarHBondContact OD2-N 3.08Å
156	S	98.9	Very high	98.8	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.014	25%	0.252	C	S	.	.			trans	-64.6	156.1	176.7	82.5	0	0	0	0	112.2	D80 S82 T158	D80-S156 VanDerWaalsContact CG-CB 3.49Å; D80-S156 WeakPolarHBondContact O-CB 3Å; D80-S156 PolarHBondContact O-N 3.05Å; D80-S156 WeakPolarHBondContact OD2-CB 3.29Å; S82-S156 WeakPolarHBondContact CA-OG 3.33Å; S156-T158 WeakPolarHBondContact CB-O 3.44Å; S156-T158 PolarHBondContact OG-O 3.41Å
157	L	98.7	Very high	98.8	Very high	97 Å²	97	40.3 Å²	40.3	51%	0.508	24%	0.239	S	C	.	.	S	Bend	trans	-99	-2.4	171.1	-59.8	178	0	0	0	112.6	E324 V332	L157-E324 HydrophobicContact CD2-CB 4.36Å; L157-E324 VanDerWaalsContact CD2-CD 3.47Å; L157-E324 HydrophobicContact CD2-CG 3.77Å; L157-V332 HydrophobicContact CB-CG1 4.46Å; L157-V332 HydrophobicContact CD2-CB 4.48Å; L157-V332 HydrophobicContact CD2-CG1 4.28Å
158	T	98.8	Very high	98.8	Very high	85 Å²	85	39 Å²	39	52%	0.521	23%	0.234	S	C	.	.			trans	-142.7	154	-176.2	57.7	0	0	0	0	110.4	S156	S156-T158 WeakPolarHBondContact CB-O 3.44Å; S156-T158 PolarHBondContact OG-O 3.41Å
159	A	98.8	Very high	98.8	Very high	22 Å²	22	35.7 Å²	35.7	18%	0.182	21%	0.214	C	C	.	.			trans	-104.5	162.4	166.5	0	0	0	0	0	110.3	L85 I91 E94	L85-A159 HydrophobicContact CB-CB 4.43Å; L85-A159 HydrophobicContact CD1-CB 4.38Å; I91-A159 HydrophobicContact CG2-CB 3.79Å; E94-A159 HydrophobicContact CG-CB 4.25Å
160	N	98.9	Very high	98.8	Very high	51 Å²	51	36.8 Å²	36.8	27%	0.273	22%	0.223	S	C	.	.			trans	-131.7	73.1	178.9	-172.5	4.3	0	0	0	112.2	V76 N77 E94 A162 G163 A164	V76-N160 HydrophobicContact CG1-CB 3.91Å; N77-N160 WeakPolarHBondContact ND2-CB 3.37Å; N77-N160 PolarHBondContact OD1-ND2 3.47Å; E94-N160 VanDerWaalsContact CG-C 3.46Å; E94-N160 PolarHBondContact OE1-N 2.94Å; N160-A162 PolarHBondContact O-N 3.45Å; N160-G163 WeakPolarHBondContact O-CA 3.3Å; N160-G163 PolarHBondContact O-N 3.38Å; N160-G163 PolarHBondContact OD1-N 3.02Å; N160-A164 PolarHBondContact O-N 2.98Å
161	L	98.8	Very high	98.7	Very high	52 Å²	52	36.2 Å²	36.2	27%	0.272	22%	0.222	S	C	.	.	H	α-helix	trans	-50.7	-42.6	176.9	-178	160	0	0	0	112.6	Q92 S93 N96 A164 N165	Q92-L161 HydrophobicContact CB-CB 4.44Å; Q92-L161 HydrophobicContact CB-CD1 4.12Å; S93-L161 WeakPolarHBondContact O-CD1 3.33Å; N96-L161 HydrophobicContact CB-CD1 4.11Å; L161-A164 PolarHBondContact O-N 2.88Å; L161-N165 WeakPolarHBondContact CD2-ND2 3.47Å; L161-N165 PolarHBondContact O-N 3.25Å; L161-N165 PolarHBondContact O-ND2 2.94Å
162	A	98.8	Very high	98.7	Very high	67 Å²	67	40 Å²	40	55%	0.554	24%	0.241	S	C	*	.	H	α-helix	trans	-66	-42.8	179.1	0	0	0	0	0	111.7	N160 A164 N165 S166	N160-A162 PolarHBondContact O-N 3.45Å; A162-A164 VanDerWaalsContact C-N 3.33Å; A162-A164 PolarHBondContact O-N 3.24Å; A162-N165 PolarHBondContact O-N 3.02Å; A162-N165 VanDerWaalsContact O-N 3.16Å; A162-S166 PolarHBondContact O-N 3.37Å; A162-S166 PolarHBondContact O-OG 3.06Å
163	G	98.7	Very high	98.7	Very high	7 Å²	7	41.5 Å²	41.5	7%	0.072	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-41	174.4	0	0	0	0	0	112.6	N160 N165 S166 S167	N160-G163 WeakPolarHBondContact O-CA 3.3Å; N160-G163 PolarHBondContact O-N 3.38Å; N160-G163 PolarHBondContact OD1-N 3.02Å; G163-N165 VanDerWaalsContact C-N 3.3Å; G163-N165 PolarHBondContact O-N 3.45Å; G163-S166 PolarHBondContact O-N 3.28Å; G163-S166 PolarHBondContact O-OG 3.43Å; G163-S167 WeakPolarHBondContact O-CB 3.49Å; G163-S167 PolarHBondContact O-N 3.43Å; G163-S167 PolarHBondContact O-OG 2.86Å
164	A	98.8	Very high	98.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-36	174.5	0	0	0	0	0	113	V76 E94 A97 N160 L161 A162 I168	V76-A164 HydrophobicContact CG1-CB 4.35Å; V76-A164 VanDerWaalsContact CG2-CA 3.47Å; V76-A164 HydrophobicContact CG2-CB 3.85Å; E94-A164 HydrophobicContact CB-CB 4.3Å; E94-A164 HydrophobicContact CG-CB 4Å; A97-A164 HydrophobicContact CB-CB 3.45Å; A97-A164 VanDerWaalsContact CB-CB 3.45Å; N160-A164 PolarHBondContact O-N 2.98Å; L161-A164 PolarHBondContact O-N 2.88Å; A162-A164 VanDerWaalsContact C-N 3.33Å; A162-A164 PolarHBondContact O-N 3.24Å; A164-I168 HydrophobicContact CB-CD1 4.19Å
165	N	98.7	Very high	98.7	Very high	81 Å²	81	41.5 Å²	41.5	43%	0.433	26%	0.255	S	S	.	.	H	α-helix	trans	-71.8	-29.3	176.4	-74.1	-39.7	0	0	0	113.8	A97 G98 L161 A162 G163	A97-N165 WeakPolarHBondContact CA-OD1 3.39Å; G98-N165 PolarHBondContact N-OD1 2.85Å; L161-N165 WeakPolarHBondContact CD2-ND2 3.47Å; L161-N165 PolarHBondContact O-N 3.25Å; L161-N165 PolarHBondContact O-ND2 2.94Å; A162-N165 PolarHBondContact O-N 3.02Å; A162-N165 VanDerWaalsContact O-N 3.16Å; G163-N165 VanDerWaalsContact C-N 3.3Å; G163-N165 PolarHBondContact O-N 3.45Å
166	S	98.6	Very high	98.7	Very high	75 Å²	75	45.6 Å²	45.6	52%	0.524	28%	0.284	S	S	.	.	H	α-helix	trans	-98.1	-31.1	-175.7	58.2	0	0	0	0	113.9	A162 G163 K181	A162-S166 PolarHBondContact O-N 3.37Å; A162-S166 PolarHBondContact O-OG 3.06Å; G163-S166 PolarHBondContact O-N 3.28Å; G163-S166 PolarHBondContact O-OG 3.43Å; S166-K181 WeakPolarHBondContact O-CE 3.35Å; S166-K181 PolarHBondContact O-NZ 3.48Å
167	S	98.7	Very high	98.7	Very high	39 Å²	39	49.4 Å²	49.4	27%	0.273	30%	0.304	S	S	.	.	H	α-helix	trans	-96.5	-31.7	-166.9	-46.9	0	0	0	0	113	F75 G163	F75-S167 WeakPolarHBondContact O-CB 3.38Å; G163-S167 WeakPolarHBondContact O-CB 3.49Å; G163-S167 PolarHBondContact O-N 3.43Å; G163-S167 PolarHBondContact O-OG 2.86Å
168	I	98.8	Very high	98.7	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	28%	0.283	C	S	.	.	S	Bend	trans	-76.3	129.4	179.3	-61.3	171	0	0	0	109.2	H72 F75 V76 P99 A164 K181	H72-I168 HydrophobicContact CB-CD1 4.04Å; F75-I168 HydrophobicContact CB-CG1 4.22Å; V76-I168 HydrophobicContact CG2-CD1 3.9Å; V76-I168 HydrophobicContact CG2-CG1 3.91Å; P99-I168 HydrophobicContact CB-CB 4.16Å; P99-I168 HydrophobicContact CB-CD1 4.12Å; P99-I168 HydrophobicContact CB-CG2 3.79Å; P99-I168 HydrophobicContact CG-CB 3.94Å; P99-I168 HydrophobicContact CG-CD1 4.36Å; P99-I168 HydrophobicContact CG-CG2 4.04Å; A164-I168 HydrophobicContact CB-CD1 4.19Å; I168-K181 PolarHBondContact O-NZ 3.29Å
169	P	98.8	Very high	98.7	Very high	23 Å²	23	42.7 Å²	42.7	15%	0.149	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-61.5	138	175.8	-21.4	31.7	0	0	0	113	F71 F75 I178 K181 F182	F71-P169 HydrophobicContact CZ-CG 4.39Å; F75-P169 HydrophobicContact CE1-CG 4.24Å; P169-I178 HydrophobicContact CB-CG1 4.28Å; P169-I178 HydrophobicContact CB-CG2 4.24Å; P169-I178 HydrophobicContact CG-CG2 4.47Å; P169-K181 HydrophobicContact CB-CD 4.19Å; P169-K181 HydrophobicContact CG-CB 4.12Å; P169-K181 HydrophobicContact CG-CD 4.08Å; P169-F182 HydrophobicContact CG-CD2 4.31Å; P169-F182 HydrophobicContact CG-CE2 3.99Å
170	S	98.7	Very high	98.7	Very high	42 Å²	42	48.7 Å²	48.7	29%	0.294	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-90.8	144.5	170.6	174.8	0	0	0	0	110.6	I172 E173	S170-I172 PolarHBondContact O-N 3.33Å; S170-I172 VanDerWaalsContact O-N 3.11Å; S170-I172 WeakPolarHBondContact OG-CG1 3.41Å; S170-E173 VanDerWaalsContact CB-OE1 3.25Å; S170-E173 WeakPolarHBondContact CB-OE1 3.48Å; S170-E173 PolarHBondContact N-OE1 2.88Å; S170-E173 PolarHBondContact O-N 2.84Å; S170-E173 VanDerWaalsContact O-N 3.17Å
171	P	98.5	Very high	98.7	Very high	31 Å²	31	47.7 Å²	47.7	20%	0.201	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.1	-178.2	26	-34.4	0	0	0	114.7	V208 L273 Q274 S275	P171-V208 HydrophobicContact CG-CB 3.93Å; P171-V208 HydrophobicContact CG-CG1 4.43Å; P171-L273 HydrophobicContact CB-CB 4.18Å; P171-L273 HydrophobicContact CB-CD1 4.15Å; P171-L273 HydrophobicContact CB-CD2 4.35Å; P171-L273 HydrophobicContact CB-CG 4.46Å; P171-Q274 WeakPolarHBondContact O-CB 3.32Å; P171-S275 PolarHBondContact O-N 2.87Å
172	I	98.4	Very high	98.7	Very high	93 Å²	93	45.7 Å²	45.7	48%	0.477	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	4.1	179	62.8	165.8	0	0	0	113	S170 N211 Q274	S170-I172 PolarHBondContact O-N 3.33Å; S170-I172 VanDerWaalsContact O-N 3.11Å; S170-I172 WeakPolarHBondContact OG-CG1 3.41Å; I172-N211 WeakPolarHBondContact CG2-ND2 3.14Å; I172-Q274 PolarHBondContact O-NE2 3.09Å
173	E	98.3	Very high	98.7	Very high	37 Å²	37	45.6 Å²	45.6	17%	0.173	27%	0.267	C	S	.	.	S	Bend	trans	-73.9	149.5	170.6	-80.7	177	-100.2	0	0	110.6	S170 N177 I178 K181	S170-E173 VanDerWaalsContact CB-OE1 3.25Å; S170-E173 WeakPolarHBondContact CB-OE1 3.48Å; S170-E173 PolarHBondContact N-OE1 2.88Å; S170-E173 PolarHBondContact O-N 2.84Å; S170-E173 VanDerWaalsContact O-N 3.17Å; E173-N177 HydrophobicContact CB-CB 4.18Å; E173-N177 HydrophobicContact CG-CB 4.44Å; E173-I178 HydrophobicContact CB-CD1 4.39Å; E173-I178 HydrophobicContact CB-CG1 3.88Å; E173-I178 WeakPolarHBondContact O-CD1 3.3Å; E173-K181 IonicContact OE1-NZ 2.82Å; E173-K181 PolarHBondContact OE1-NZ 3.11Å; E173-K181 VanDerWaalsContact OE2-CE 3.29Å; E173-K181 WeakPolarHBondContact OE2-CE 3.4Å; E173-K181 IonicContact OE2-NZ 2.84Å; E173-K181 PolarHBondContact OE2-NZ 2.9Å
174	S	98.5	Very high	98.7	Very high	49 Å²	49	48.8 Å²	48.8	34%	0.343	29%	0.292	S	S	.	.			trans	-66	154.3	173.3	67.4	0	0	0	0	111.5	S176 N177 I178 E278	S174-S176 PolarHBondContact O-N 3.1Å; S174-S176 VanDerWaalsContact O-N 3.08Å; S174-N177 PolarHBondContact O-N 3.17Å; S174-N177 PolarHBondContact OG-N 3.13Å; S174-I178 PolarHBondContact O-N 3.48Å; S174-E278 VanDerWaalsContact C-OE2 3.31Å; S174-E278 VanDerWaalsContact CA-OE2 3.31Å; S174-E278 WeakPolarHBondContact CA-OE2 3.43Å
175	L	98.7	Very high	98.7	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.073	30%	0.302	C	S	.	.	H	α-helix	trans	-49.6	-37.3	174	-177.9	57	0	0	0	113.2	T179 L192 E278 L279 T282 S285 T287	L175-T179 VanDerWaalsContact O-CB 3.25Å; L175-T179 WeakPolarHBondContact O-CB 3.44Å; L175-T179 PolarHBondContact O-N 3.36Å; L175-T179 PolarHBondContact O-OG1 2.74Å; L175-L192 HydrophobicContact CD1-CD1 3.78Å; L175-E278 HydrophobicContact CB-CB 4.4Å; L175-E278 PolarHBondContact N-OE2 3.27Å; L175-L279 HydrophobicContact CD1-CD2 3.72Å; L175-T282 HydrophobicContact CD2-CG2 4.22Å; L175-S285 WeakPolarHBondContact CD2-OG 3.48Å; L175-T287 HydrophobicContact CD1-CG2 4.34Å; L175-T287 HydrophobicContact CD2-CG2 4.12Å
176	S	98.7	Very high	98.7	Very high	87 Å²	87	49.7 Å²	49.7	61%	0.608	31%	0.314	S	S	*	.	H	α-helix	trans	-63.5	-43.4	176.9	-174.5	0	0	0	0	112.3	S174 T179 F180	S174-S176 PolarHBondContact O-N 3.1Å; S174-S176 VanDerWaalsContact O-N 3.08Å; S176-T179 PolarHBondContact O-N 3.18Å; S176-F180 PolarHBondContact O-N 2.95Å
177	N	98.7	Very high	98.7	Very high	82 Å²	82	46.3 Å²	46.3	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-72.1	-39.6	-179.7	-71.9	0.9	0	0	0	111.4	E173 S174 T179 F180 K181	E173-N177 HydrophobicContact CB-CB 4.18Å; E173-N177 HydrophobicContact CG-CB 4.44Å; S174-N177 PolarHBondContact O-N 3.17Å; S174-N177 PolarHBondContact OG-N 3.13Å; N177-T179 VanDerWaalsContact C-N 3.34Å; N177-F180 WeakPolarHBondContact O-CB 3.34Å; N177-F180 PolarHBondContact O-N 3.09Å; N177-K181 PolarHBondContact O-N 3.34Å
178	I	98.8	Very high	98.7	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.051	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-47.1	173.5	-62.2	175.5	0	0	0	109.7	P169 E173 S174 F180 K181 F182 L192 S275	P169-I178 HydrophobicContact CB-CG1 4.28Å; P169-I178 HydrophobicContact CB-CG2 4.24Å; P169-I178 HydrophobicContact CG-CG2 4.47Å; E173-I178 HydrophobicContact CB-CD1 4.39Å; E173-I178 HydrophobicContact CB-CG1 3.88Å; E173-I178 WeakPolarHBondContact O-CD1 3.3Å; S174-I178 PolarHBondContact O-N 3.48Å; I178-F180 VanDerWaalsContact C-N 3.28Å; I178-F180 PolarHBondContact O-N 3Å; I178-K181 PolarHBondContact O-N 3.24Å; I178-K181 VanDerWaalsContact O-N 3.12Å; I178-F182 HydrophobicContact CG2-CD2 3.99Å; I178-F182 HydrophobicContact CG2-CE2 3.93Å; I178-F182 WeakPolarHBondContact O-CD2 3.47Å; I178-F182 PolarHBondContact O-N 2.8Å; I178-L192 HydrophobicContact CG2-CD2 4.13Å; I178-L192 HydrophobicContact CG2-CG 4.37Å; I178-S275 VanDerWaalsContact CD1-CB 3.45Å
179	T	98.8	Very high	98.7	Very high	30 Å²	30	49.9 Å²	49.9	18%	0.184	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-39.2	176.8	-59.3	0	0	0	0	111.8	L175 S176 N177 F182 S183	L175-T179 VanDerWaalsContact O-CB 3.25Å; L175-T179 WeakPolarHBondContact O-CB 3.44Å; L175-T179 PolarHBondContact O-N 3.36Å; L175-T179 PolarHBondContact O-OG1 2.74Å; S176-T179 PolarHBondContact O-N 3.18Å; N177-T179 VanDerWaalsContact C-N 3.34Å; T179-F182 PolarHBondContact O-N 3.27Å; T179-S183 WeakPolarHBondContact O-CB 3.34Å; T179-S183 PolarHBondContact O-N 2.89Å; T179-S183 PolarHBondContact O-OG 3.17Å
180	F	98.8	Very high	98.7	Very high	149 Å²	149	53.2 Å²	53.2	65%	0.654	32%	0.324	S	S	*	.	H	α-helix	trans	-62	-44.8	174.6	177.7	-94.2	0	0	0	111.9	S176 N177 I178 F182 S183 A184	S176-F180 PolarHBondContact O-N 2.95Å; N177-F180 WeakPolarHBondContact O-CB 3.34Å; N177-F180 PolarHBondContact O-N 3.09Å; I178-F180 VanDerWaalsContact C-N 3.28Å; I178-F180 PolarHBondContact O-N 3Å; F180-F182 PolarHBondContact O-N 2.69Å; F180-S183 PolarHBondContact O-N 2.69Å; F180-A184 WeakPolarHBondContact O-CB 3.42Å; F180-A184 PolarHBondContact O-N 3.37Å
181	K	98.8	Very high	98.7	Very high	29 Å²	29	51.6 Å²	51.6	13%	0.126	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-40.6	177.5	-74.5	-179.8	170.1	-172.5	0	112.7	S166 I168 P169 E173 N177 I178 A184	S166-K181 WeakPolarHBondContact O-CE 3.35Å; S166-K181 PolarHBondContact O-NZ 3.48Å; I168-K181 PolarHBondContact O-NZ 3.29Å; P169-K181 HydrophobicContact CB-CD 4.19Å; P169-K181 HydrophobicContact CG-CB 4.12Å; P169-K181 HydrophobicContact CG-CD 4.08Å; E173-K181 IonicContact OE1-NZ 2.82Å; E173-K181 PolarHBondContact OE1-NZ 3.11Å; E173-K181 VanDerWaalsContact OE2-CE 3.29Å; E173-K181 WeakPolarHBondContact OE2-CE 3.4Å; E173-K181 IonicContact OE2-NZ 2.84Å; E173-K181 PolarHBondContact OE2-NZ 2.9Å; N177-K181 PolarHBondContact O-N 3.34Å; I178-K181 PolarHBondContact O-N 3.24Å; I178-K181 VanDerWaalsContact O-N 3.12Å; K181-A184 PolarHBondContact O-N 2.98Å
182	F	98.9	Very high	98.7	Very high	10 Å²	10	50.2 Å²	50.2	4%	0.044	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-45.8	172	-87.4	-108.6	0	0	0	111.4	F71 F75 P169 I178 T179 F180 A184 V185 G186 L187 L192 L195	F71-F182 HydrophobicContact CE2-CZ 4.48Å; F75-F182 HydrophobicContact CE1-CD2 4.1Å; F75-F182 HydrophobicContact CE1-CE2 4.23Å; F75-F182 HydrophobicContact CE1-CG 4.38Å; F75-F182 AromaticContact CZ-CD1 4Å; F75-F182 HydrophobicContact CZ-CD1 4Å; F75-F182 HydrophobicContact CZ-CD2 4.08Å; F75-F182 AromaticContact CZ-CE1 3.97Å; F75-F182 HydrophobicContact CZ-CE1 3.97Å; F75-F182 HydrophobicContact CZ-CE2 4.1Å; F75-F182 HydrophobicContact CZ-CG 4.04Å; F75-F182 HydrophobicContact CZ-CZ 4.04Å; P169-F182 HydrophobicContact CG-CD2 4.31Å; P169-F182 HydrophobicContact CG-CE2 3.99Å; I178-F182 HydrophobicContact CG2-CD2 3.99Å; I178-F182 HydrophobicContact CG2-CE2 3.93Å; I178-F182 WeakPolarHBondContact O-CD2 3.47Å; I178-F182 PolarHBondContact O-N 2.8Å; T179-F182 PolarHBondContact O-N 3.27Å; F180-F182 PolarHBondContact O-N 2.69Å; F182-A184 VanDerWaalsContact C-N 3.28Å; F182-A184 PolarHBondContact O-N 3.13Å; F182-V185 WeakPolarHBondContact O-CG2 3.29Å; F182-V185 PolarHBondContact O-N 2.97Å; F182-V185 VanDerWaalsContact O-N 3.14Å; F182-G186 PolarHBondContact O-N 2.98Å; F182-L187 CarbonylContact C-O 3.49Å; F182-L187 HydrophobicContact CB-CB 4.14Å; F182-L187 HydrophobicContact CD1-CB 3.78Å; F182-L187 HydrophobicContact CD1-CD1 3.91Å; F182-L187 HydrophobicContact CE1-CD1 4.21Å; F182-L187 HydrophobicContact CG-CB 4.42Å; F182-L187 PolarHBondContact O-N 3.35Å; F182-L192 HydrophobicContact CD1-CB 3.88Å; F182-L192 HydrophobicContact CD1-CG 4.49Å; F182-L192 HydrophobicContact CD2-CG 4.31Å; F182-L192 HydrophobicContact CE1-CB 4.12Å; F182-L192 HydrophobicContact CE2-CD2 4.08Å; F182-L192 HydrophobicContact CE2-CG 4.35Å; F182-L192 HydrophobicContact CG-CB 4.1Å; F182-L192 HydrophobicContact CG-CG 4.37Å; F182-L192 HydrophobicContact CZ-CD2 4.08Å; F182-L192 HydrophobicContact CZ-CG 4.49Å; F182-L195 HydrophobicContact CE1-CB 4.32Å; F182-L195 HydrophobicContact CE1-CD1 4.05Å
183	S	98.8	Very high	98.7	Very high	66 Å²	66	45.8 Å²	45.8	46%	0.462	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-36	179.4	-58.1	0	0	0	0	112.1	T179 F180 V185 G186 L187	T179-S183 WeakPolarHBondContact O-CB 3.34Å; T179-S183 PolarHBondContact O-N 2.89Å; T179-S183 PolarHBondContact O-OG 3.17Å; F180-S183 PolarHBondContact O-N 2.69Å; S183-V185 PolarHBondContact O-N 3.08Å; S183-G186 PolarHBondContact O-N 3.14Å; S183-L187 VanDerWaalsContact CA-O 3.3Å; S183-L187 WeakPolarHBondContact CA-O 3.19Å; S183-L187 PolarHBondContact N-O 3.19Å
184	A	98.7	Very high	98.8	Very high	73 Å²	73	44 Å²	44	60%	0.603	27%	0.272	S	S	*	.	H	α-helix	trans	-63.4	-24.5	178.5	0	0	0	0	0	113.3	F180 K181 F182	F180-A184 WeakPolarHBondContact O-CB 3.42Å; F180-A184 PolarHBondContact O-N 3.37Å; K181-A184 PolarHBondContact O-N 2.98Å; F182-A184 VanDerWaalsContact C-N 3.28Å; F182-A184 PolarHBondContact O-N 3.13Å
185	V	98.6	Very high	98.8	Very high	33 Å²	33	42.5 Å²	42.5	20%	0.2	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	11.4	174.1	-58.4	0	0	0	0	113	F75 F182 S183 L187 I315	F75-V185 HydrophobicContact CD1-CG1 4.49Å; F75-V185 HydrophobicContact CD1-CG2 4.24Å; F75-V185 HydrophobicContact CD2-CG2 4.32Å; F75-V185 HydrophobicContact CE1-CG2 3.81Å; F75-V185 HydrophobicContact CE2-CG2 3.87Å; F75-V185 HydrophobicContact CG-CG2 4.49Å; F75-V185 HydrophobicContact CZ-CG2 3.6Å; F182-V185 WeakPolarHBondContact O-CG2 3.29Å; F182-V185 PolarHBondContact O-N 2.97Å; F182-V185 VanDerWaalsContact O-N 3.14Å; S183-V185 PolarHBondContact O-N 3.08Å; V185-L187 HydrophobicContact CG2-CD1 4.13Å; V185-L187 HydrophobicContact CG2-CG 4.2Å; V185-I315 HydrophobicContact CB-CD1 3.95Å; V185-I315 HydrophobicContact CB-CG2 4.22Å; V185-I315 HydrophobicContact CG2-CD1 3.86Å; V185-I315 WeakPolarHBondContact O-CG1 3.29Å
186	G	98.7	Very high	98.8	Very high	67 Å²	67	42.7 Å²	42.7	69%	0.691	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	17.5	175.3	0	0	0	0	0	115.4	F182 S183	F182-G186 PolarHBondContact O-N 2.98Å; S183-G186 PolarHBondContact O-N 3.14Å
187	L	98.9	Very high	98.8	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	23%	0.233	C	C	.	.			trans	-104.5	136.5	176	-63.1	176.9	0	0	0	110.8	F75 F182 S183 V185 D191 L195 N311 M312 I315	F75-L187 HydrophobicContact CE2-CD1 3.73Å; F75-L187 HydrophobicContact CZ-CD1 3.85Å; F182-L187 CarbonylContact C-O 3.49Å; F182-L187 HydrophobicContact CB-CB 4.14Å; F182-L187 HydrophobicContact CD1-CB 3.78Å; F182-L187 HydrophobicContact CD1-CD1 3.91Å; F182-L187 HydrophobicContact CE1-CD1 4.21Å; F182-L187 HydrophobicContact CG-CB 4.42Å; F182-L187 PolarHBondContact O-N 3.35Å; S183-L187 VanDerWaalsContact CA-O 3.3Å; S183-L187 WeakPolarHBondContact CA-O 3.19Å; S183-L187 PolarHBondContact N-O 3.19Å; V185-L187 HydrophobicContact CG2-CD1 4.13Å; V185-L187 HydrophobicContact CG2-CG 4.2Å; L187-D191 HydrophobicContact CB-CB 3.84Å; L187-D191 HydrophobicContact CD2-CB 4.01Å; L187-D191 HydrophobicContact CG-CB 4.4Å; L187-L195 HydrophobicContact CD1-CD1 3.87Å; L187-N311 HydrophobicContact CD2-CB 3.72Å; L187-M312 HydrophobicContact CD1-CB 4.17Å; L187-M312 HydrophobicContact CD1-CG 4.27Å; L187-I315 HydrophobicContact CD1-CD1 4.06Å; L187-I315 HydrophobicContact CG-CD1 4.27Å
188	N	98.8	Very high	98.8	Very high	79 Å²	79	35.7 Å²	35.7	42%	0.422	22%	0.221	S	C	.	.			trans	-95.2	-175.7	-176.8	67.4	46.2	0	0	0	112.5	N190 D191 L192	N188-N190 VanDerWaalsContact C-N 3.32Å; N188-N190 PolarHBondContact O-N 3.31Å; N188-N190 WeakPolarHBondContact OD1-CA 3.49Å; N188-N190 VanDerWaalsContact OD1-CB 3.23Å; N188-N190 WeakPolarHBondContact OD1-CB 3.19Å; N188-N190 PolarHBondContact OD1-N 3.03Å; N188-D191 PolarHBondContact N-OD2 2.95Å; N188-D191 PolarHBondContact ND2-OD2 2.04Å; N188-D191 WeakPolarHBondContact O-CB 3.31Å; N188-D191 PolarHBondContact O-N 3.22Å; N188-D191 VanDerWaalsContact O-N 3.17Å; N188-D191 PolarHBondContact OD1-N 3.2Å; N188-D191 PolarHBondContact OD1-OD2 3.44Å; N188-L192 PolarHBondContact O-N 3.47Å
189	T	98.8	Very high	98.8	Very high	40 Å²	40	37.7 Å²	37.7	25%	0.245	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-32.3	178.4	-54.1	0	0	0	0	113.8	L192 V193 T287 I290	T189-L192 PolarHBondContact O-N 3.4Å; T189-V193 WeakPolarHBondContact O-CG2 3.43Å; T189-V193 PolarHBondContact O-N 3.13Å; T189-V193 VanDerWaalsContact O-N 3.1Å; T189-T287 HydrophobicContact CG2-CG2 3.63Å; T189-I290 HydrophobicContact CG2-CD1 4.27Å
190	N	98.9	Very high	98.8	Very high	93 Å²	93	36.2 Å²	36.2	50%	0.497	22%	0.221	S	C	.	.	H	α-helix	trans	-66.7	-43	173.6	-61.8	-36.8	0	0	0	110.4	N188 L192 V193 A194 I290	N188-N190 VanDerWaalsContact C-N 3.32Å; N188-N190 PolarHBondContact O-N 3.31Å; N188-N190 WeakPolarHBondContact OD1-CA 3.49Å; N188-N190 VanDerWaalsContact OD1-CB 3.23Å; N188-N190 WeakPolarHBondContact OD1-CB 3.19Å; N188-N190 PolarHBondContact OD1-N 3.03Å; N190-L192 VanDerWaalsContact C-N 3.34Å; N190-V193 PolarHBondContact O-N 3.43Å; N190-A194 VanDerWaalsContact O-CB 3.28Å; N190-A194 WeakPolarHBondContact O-CB 3.37Å; N190-A194 PolarHBondContact O-N 3.02Å; N190-I290 VanDerWaalsContact OD1-CD1 3.23Å; N190-I290 WeakPolarHBondContact OD1-CD1 3.47Å
191	D	98.9	Very high	98.8	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-41.5	176.5	-61.1	-60.5	0	0	0	111.7	L187 N188 L195 S308 N311	L187-D191 HydrophobicContact CB-CB 3.84Å; L187-D191 HydrophobicContact CD2-CB 4.01Å; L187-D191 HydrophobicContact CG-CB 4.4Å; N188-D191 PolarHBondContact N-OD2 2.95Å; N188-D191 PolarHBondContact ND2-OD2 2.04Å; N188-D191 WeakPolarHBondContact O-CB 3.31Å; N188-D191 PolarHBondContact O-N 3.22Å; N188-D191 VanDerWaalsContact O-N 3.17Å; N188-D191 PolarHBondContact OD1-N 3.2Å; N188-D191 PolarHBondContact OD1-OD2 3.44Å; D191-L195 HydrophobicContact CB-CD1 4.45Å; D191-L195 WeakPolarHBondContact O-CB 3.36Å; D191-L195 WeakPolarHBondContact O-CG 3.4Å; D191-L195 PolarHBondContact O-N 2.91Å; D191-S308 WeakPolarHBondContact CA-OG 3.21Å; D191-S308 WeakPolarHBondContact OD1-CA 3.28Å; D191-S308 VanDerWaalsContact OD1-CB 3.27Å; D191-S308 WeakPolarHBondContact OD1-CB 3.42Å; D191-S308 PolarHBondContact OD1-OG 2.82Å; D191-N311 PolarHBondContact OD1-ND2 3.48Å
192	L	98.9	Very high	98.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-53.8	-60.6	173	-178.7	-125.7	0	0	0	110.6	L175 I178 F182 N188 T189 N190 A194 L195 S196 L279 T287	L175-L192 HydrophobicContact CD1-CD1 3.78Å; I178-L192 HydrophobicContact CG2-CD2 4.13Å; I178-L192 HydrophobicContact CG2-CG 4.37Å; F182-L192 HydrophobicContact CD1-CB 3.88Å; F182-L192 HydrophobicContact CD1-CG 4.49Å; F182-L192 HydrophobicContact CD2-CG 4.31Å; F182-L192 HydrophobicContact CE1-CB 4.12Å; F182-L192 HydrophobicContact CE2-CD2 4.08Å; F182-L192 HydrophobicContact CE2-CG 4.35Å; F182-L192 HydrophobicContact CG-CB 4.1Å; F182-L192 HydrophobicContact CG-CG 4.37Å; F182-L192 HydrophobicContact CZ-CD2 4.08Å; F182-L192 HydrophobicContact CZ-CG 4.49Å; N188-L192 PolarHBondContact O-N 3.47Å; T189-L192 PolarHBondContact O-N 3.4Å; N190-L192 VanDerWaalsContact C-N 3.34Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 2.93Å; L192-L195 PolarHBondContact O-N 3.28Å; L192-S196 VanDerWaalsContact CD2-OG 3.28Å; L192-S196 WeakPolarHBondContact CD2-OG 3.14Å; L192-S196 WeakPolarHBondContact O-CB 3.35Å; L192-S196 PolarHBondContact O-N 3.43Å; L192-S196 PolarHBondContact O-OG 3.19Å; L192-L279 HydrophobicContact CD1-CD2 3.7Å; L192-L279 HydrophobicContact CD2-CD2 4.09Å; L192-T287 HydrophobicContact CD1-CG2 4.32Å
193	V	98.9	Very high	98.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-40.6	-175	-179.2	0	0	0	0	111.4	T189 N190 G197 F263 L279 T287 I290 V291 F294	T189-V193 WeakPolarHBondContact O-CG2 3.43Å; T189-V193 PolarHBondContact O-N 3.13Å; T189-V193 VanDerWaalsContact O-N 3.1Å; N190-V193 PolarHBondContact O-N 3.43Å; V193-G197 PolarHBondContact O-N 2.96Å; V193-F263 HydrophobicContact CG1-CE1 3.88Å; V193-F263 WeakPolarHBondContact O-CE1 3.31Å; V193-F263 WeakPolarHBondContact O-CZ 3.28Å; V193-L279 HydrophobicContact CG2-CD2 4.33Å; V193-T287 HydrophobicContact CG2-CG2 3.6Å; V193-I290 HydrophobicContact CB-CB 4.31Å; V193-I290 HydrophobicContact CB-CG2 3.82Å; V193-I290 HydrophobicContact CG1-CB 4Å; V193-I290 HydrophobicContact CG1-CG2 3.58Å; V193-I290 HydrophobicContact CG2-CB 4.3Å; V193-I290 HydrophobicContact CG2-CD1 4.13Å; V193-I290 HydrophobicContact CG2-CG2 4.33Å; V193-V291 HydrophobicContact CG1-CG2 3.78Å; V193-F294 HydrophobicContact CB-CE2 4.44Å; V193-F294 HydrophobicContact CG1-CD2 3.99Å; V193-F294 HydrophobicContact CG1-CE2 3.95Å
194	A	98.9	Very high	98.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-52	177.7	0	0	0	0	0	111.2	N190 L192 S196 G197 F294 A304 F305	N190-A194 VanDerWaalsContact O-CB 3.28Å; N190-A194 WeakPolarHBondContact O-CB 3.37Å; N190-A194 PolarHBondContact O-N 3.02Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 2.93Å; A194-S196 VanDerWaalsContact C-N 3.33Å; A194-S196 PolarHBondContact O-N 2.91Å; A194-G197 WeakPolarHBondContact O-CA 3.41Å; A194-G197 PolarHBondContact O-N 2.98Å; A194-F294 HydrophobicContact CB-CE2 4.04Å; A194-F294 HydrophobicContact CB-CZ 4.31Å; A194-A304 HydrophobicContact CB-CB 4.04Å; A194-F305 VanDerWaalsContact O-CD2 3.31Å; A194-F305 WeakPolarHBondContact O-CD2 3.23Å
195	L	98.9	Very high	98.8	Very high	17 Å²	17	26.8 Å²	26.8	9%	0.089	16%	0.158	C	C	.	.	H	α-helix	trans	-68.6	-29.4	-177.4	-67.6	171.3	0	0	0	113	F182 L187 D191 L192 G197 A198 F305 M309 M312	F182-L195 HydrophobicContact CE1-CB 4.32Å; F182-L195 HydrophobicContact CE1-CD1 4.05Å; L187-L195 HydrophobicContact CD1-CD1 3.87Å; D191-L195 HydrophobicContact CB-CD1 4.45Å; D191-L195 WeakPolarHBondContact O-CB 3.36Å; D191-L195 WeakPolarHBondContact O-CG 3.4Å; D191-L195 PolarHBondContact O-N 2.91Å; L192-L195 PolarHBondContact O-N 3.28Å; L195-G197 PolarHBondContact O-N 3.35Å; L195-A198 VanDerWaalsContact O-CB 3.23Å; L195-A198 WeakPolarHBondContact O-CB 3.2Å; L195-A198 PolarHBondContact O-N 3.47Å; L195-F305 HydrophobicContact CD2-CE2 4.29Å; L195-M309 HydrophobicContact CD2-CG 3.92Å; L195-M309 HydrophobicContact CD2-SD 3.52Å; L195-M309 VanDerWaalsContact CD2-SD 3.52Å; L195-M312 HydrophobicContact CD1-CB 4.16Å; L195-M312 HydrophobicContact CD1-SD 4.16Å
196	S	98.9	Very high	98.8	Very high	18 Å²	18	25.3 Å²	25.3	13%	0.126	15%	0.149	C	C	.	.	H	α-helix	trans	-58.7	-25.5	167.5	-72.3	0	0	0	0	112.6	L192 A194 A198 H199 Y262	L192-S196 VanDerWaalsContact CD2-OG 3.28Å; L192-S196 WeakPolarHBondContact CD2-OG 3.14Å; L192-S196 WeakPolarHBondContact O-CB 3.35Å; L192-S196 PolarHBondContact O-N 3.43Å; L192-S196 PolarHBondContact O-OG 3.19Å; A194-S196 VanDerWaalsContact C-N 3.33Å; A194-S196 PolarHBondContact O-N 2.91Å; S196-A198 PolarHBondContact O-N 3.14Å; S196-A198 VanDerWaalsContact O-N 3.08Å; S196-H199 WeakPolarHBondContact O-CB 3.32Å; S196-H199 PolarHBondContact O-N 3.42Å; S196-Y262 WeakPolarHBondContact O-CE1 3.19Å
197	G	98.9	Very high	98.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-58.1	-16.9	170.9	0	0	0	0	0	114.3	V193 A194 L195 H199 T200	V193-G197 PolarHBondContact O-N 2.96Å; A194-G197 WeakPolarHBondContact O-CA 3.41Å; A194-G197 PolarHBondContact O-N 2.98Å; L195-G197 PolarHBondContact O-N 3.35Å; G197-H199 PolarHBondContact O-N 3.44Å; G197-H199 VanDerWaalsContact O-N 3.13Å; G197-T200 VanDerWaalsContact O-CB 3.28Å; G197-T200 WeakPolarHBondContact O-CB 3.2Å; G197-T200 WeakPolarHBondContact O-CG2 3.23Å; G197-T200 PolarHBondContact O-N 2.66Å
198	A	98.9	Very high	98.8	Very high	22 Å²	22	24.8 Å²	24.8	18%	0.182	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-62.9	-13.6	170.1	0	0	0	0	0	113.3	L195 S196 T200 F201 F305	L195-A198 VanDerWaalsContact O-CB 3.23Å; L195-A198 WeakPolarHBondContact O-CB 3.2Å; L195-A198 PolarHBondContact O-N 3.47Å; S196-A198 PolarHBondContact O-N 3.14Å; S196-A198 VanDerWaalsContact O-N 3.08Å; A198-T200 PolarHBondContact O-N 3.21Å; A198-F201 WeakPolarHBondContact O-CD1 3.15Å; A198-F201 WeakPolarHBondContact O-CE1 3.44Å; A198-F305 HydrophobicContact CB-CE2 3.98Å; A198-F305 HydrophobicContact CB-CZ 4.19Å
199	H	98.9	Very high	98.8	Very high	52 Å²	52	21.1 Å²	21.1	24%	0.241	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-76.5	3.2	169.7	-67.7	168.6	0	0	0	113.7	S196 G197 F201 L250 Y262 D276	S196-H199 WeakPolarHBondContact O-CB 3.32Å; S196-H199 PolarHBondContact O-N 3.42Å; G197-H199 PolarHBondContact O-N 3.44Å; G197-H199 VanDerWaalsContact O-N 3.13Å; H199-F201 PolarHBondContact O-N 3.39Å; H199-F201 VanDerWaalsContact O-N 3.17Å; H199-L250 HydrophobicContact CB-CB 4.24Å; H199-L250 HydrophobicContact CB-CD1 4.3Å; H199-L250 HydrophobicContact CB-CD2 4.27Å; H199-L250 WeakPolarHBondContact O-CB 3.28Å; H199-Y262 HydrophobicContact CB-CD2 3.73Å; H199-Y262 HydrophobicContact CB-CE2 3.58Å; H199-D276 IonicContact CE1-OD1 3.92Å; H199-D276 PolarHBondContact CE1-OD1 3.37Å; H199-D276 IonicContact CG-OD1 3.35Å; H199-D276 IonicContact ND1-OD1 2.7Å; H199-D276 PolarHBondContact ND1-OD1 3.2Å; H199-D276 IonicContact ND1-OD2 2.74Å
200	T	98.9	Very high	98.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-61.3	-15.6	168.7	-167.9	0	0	0	0	114.1	G197 A198 D251 F258 D259	G197-T200 VanDerWaalsContact O-CB 3.28Å; G197-T200 WeakPolarHBondContact O-CB 3.2Å; G197-T200 WeakPolarHBondContact O-CG2 3.23Å; G197-T200 PolarHBondContact O-N 2.66Å; A198-T200 PolarHBondContact O-N 3.21Å; T200-D251 WeakPolarHBondContact O-CB 3.36Å; T200-F258 HydrophobicContact CG2-CB 4.19Å; T200-F258 HydrophobicContact CG2-CD1 4.16Å; T200-F258 HydrophobicContact CG2-CD2 3.56Å; T200-F258 HydrophobicContact CG2-CE1 4.41Å; T200-F258 HydrophobicContact CG2-CE2 3.86Å; T200-F258 HydrophobicContact CG2-CG 3.72Å; T200-F258 HydrophobicContact CG2-CZ 4.26Å; T200-D259 WeakPolarHBondContact CB-O 3.21Å; T200-D259 PolarHBondContact OG1-N 2.96Å; T200-D259 PolarHBondContact OG1-O 3.03Å; T200-D259 PolarHBondContact OG1-OD1 2.89Å
201	F	98.9	Very high	98.8	Very high	9 Å²	9	20.1 Å²	20.1	4%	0.039	11%	0.112	C	C	.	.	S	Bend	trans	-143.9	171	175.9	70.2	-12.9	0	0	0	111.7	A64 I67 V139 A142 A198 H199 P255 F258	A64-F201 VanDerWaalsContact CA-CZ 3.48Å; A64-F201 HydrophobicContact CB-CD1 3.66Å; A64-F201 HydrophobicContact CB-CD2 4.09Å; A64-F201 HydrophobicContact CB-CE1 3.68Å; A64-F201 HydrophobicContact CB-CE2 4.11Å; A64-F201 HydrophobicContact CB-CG 3.88Å; A64-F201 HydrophobicContact CB-CZ 3.92Å; I67-F201 HydrophobicContact CG2-CE1 3.85Å; I67-F201 HydrophobicContact CG2-CZ 3.79Å; V139-F201 HydrophobicContact CG2-CZ 4.42Å; A142-F201 HydrophobicContact CB-CD2 3.9Å; A142-F201 HydrophobicContact CB-CE2 3.9Å; A198-F201 WeakPolarHBondContact O-CD1 3.15Å; A198-F201 WeakPolarHBondContact O-CE1 3.44Å; H199-F201 PolarHBondContact O-N 3.39Å; H199-F201 VanDerWaalsContact O-N 3.17Å; F201-P255 WeakPolarHBondContact CA-O 3.32Å; F201-F258 HydrophobicContact CD1-CD2 4.27Å; F201-F258 HydrophobicContact CD2-CD2 4.42Å; F201-F258 AromaticContact CE1-CD2 3.98Å; F201-F258 HydrophobicContact CE1-CD2 3.98Å; F201-F258 HydrophobicContact CE1-CE2 4.22Å; F201-F258 HydrophobicContact CE2-CD2 4.14Å; F201-F258 HydrophobicContact CG-CD2 4.49Å; F201-F258 AromaticContact CZ-CD2 3.91Å; F201-F258 HydrophobicContact CZ-CD2 3.91Å; F201-F258 HydrophobicContact CZ-CE2 4.38Å
202	G	98.8	Very high	98.8	Very high	2 Å²	2	19.8 Å²	19.8	2%	0.021	11%	0.11	C	C	.	.	S	Bend	trans	89.2	-162.8	179.2	0	0	0	0	0	112.9	A64 L250 P255	A64-G202 VanDerWaalsContact CB-CA 3.48Å; G202-L250 PolarHBondContact O-N 3.35Å; G202-P255 PolarHBondContact N-O 2.92Å
203	R	98.8	Very high	98.8	Very high	43 Å²	43	19.7 Å²	19.7	16%	0.162	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.3	-166.6	-43	-72.5	178	-86.4	-0.8	112.2	R61 I247 T248 N249 P255 D256	R61-R203 HydrophobicContact CG-CG 3.96Å; R61-R203 PolarHBondContact NH2-O 2.72Å; R61-R203 VanDerWaalsContact NH2-O 3.08Å; R203-I247 HydrophobicContact CB-CB 4.33Å; R203-I247 HydrophobicContact CB-CD1 4.41Å; R203-I247 HydrophobicContact CG-CD1 4.28Å; R203-T248 CarbonylContact C-O 3.49Å; R203-T248 WeakPolarHBondContact CA-O 3.2Å; R203-T248 VanDerWaalsContact CB-O 3.27Å; R203-T248 WeakPolarHBondContact CB-O 3.05Å; R203-N249 WeakPolarHBondContact CD-OD1 3.48Å; R203-N249 VanDerWaalsContact CZ-OD1 3.31Å; R203-N249 PolarHBondContact NE-OD1 2.79Å; R203-P255 PolarHBondContact NH1-O 2.82Å; R203-D256 IonicContact CZ-OD1 2.8Å; R203-D256 IonicContact NH1-OD1 3.41Å; R203-D256 PolarHBondContact NH1-OD1 3.49Å; R203-D256 VanDerWaalsContact NH2-CG 3.33Å; R203-D256 IonicContact NH2-OD1 3.71Å; R203-D256 PolarHBondContact NH2-OD1 3.16Å; R203-D256 IonicContact NH2-OD2 2.65Å; R203-D256 PolarHBondContact NH2-OD2 3.47Å
204	A	98.9	Very high	98.7	Very high	10 Å²	10	22 Å²	22	8%	0.083	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.6	170.6	0	0	0	0	0	110.9	V208 F209 I247 T248 L250 L272 L273	A204-V208 HydrophobicContact CB-CG2 3.82Å; A204-F209 HydrophobicContact CB-CD1 4.3Å; A204-F209 HydrophobicContact CB-CE1 4.3Å; A204-I247 CarbonylContact O-C 3.44Å; A204-I247 VanDerWaalsContact O-CA 3.26Å; A204-I247 WeakPolarHBondContact O-CA 3.22Å; A204-T248 PolarHBondContact N-O 3.32Å; A204-T248 PolarHBondContact O-N 3.49Å; A204-L250 HydrophobicContact CB-CD2 3.9Å; A204-L250 HydrophobicContact CB-CG 4.2Å; A204-L272 HydrophobicContact CB-CD2 3.76Å; A204-L273 HydrophobicContact CB-CD2 4.07Å
205	R	98.6	Very high	98.7	Very high	65 Å²	65	26.2 Å²	26.2	25%	0.245	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	152.5	177	67.3	175.7	176.9	-88.2	-4.1	111.5	N102 S103 G207 V208 F209 A244 T246 I247	N102-R205 PolarHBondContact O-NH1 3.42Å; S103-R205 VanDerWaalsContact CB-NH1 3.26Å; S103-R205 PolarHBondContact OG-NH1 2.79Å; R205-G207 PolarHBondContact O-N 3.08Å; R205-G207 VanDerWaalsContact O-N 3.08Å; R205-V208 HydrophobicContact CG-CG1 4.01Å; R205-V208 HydrophobicContact CG-CG2 4.25Å; R205-V208 WeakPolarHBondContact O-CG2 3.47Å; R205-V208 PolarHBondContact O-N 3.35Å; R205-F209 VanDerWaalsContact C-CE1 3.44Å; R205-F209 VanDerWaalsContact O-CD1 3.28Å; R205-F209 WeakPolarHBondContact O-CD1 3.46Å; R205-F209 WeakPolarHBondContact O-CE1 3.47Å; R205-A244 WeakPolarHBondContact CB-O 3.29Å; R205-T246 CarbonylContact C-O 3.54Å; R205-T246 VanDerWaalsContact CA-O 3.25Å; R205-T246 WeakPolarHBondContact CA-O 3.27Å; R205-I247 HydrophobicContact CB-CG2 4.27Å
206	C	98.7	Very high	98.7	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-47.2	-42.7	176.3	-70.7	0	0	0	0	112.8	V208 F209 N210 C238 A244 T246	C206-V208 PolarHBondContact O-N 3.33Å; C206-F209 HydrophobicContact CB-CZ 4.46Å; C206-F209 PolarHBondContact O-N 3.36Å; C206-F209 VanDerWaalsContact O-N 3.13Å; C206-N210 WeakPolarHBondContact O-CB 3.14Å; C206-N210 VanDerWaalsContact O-CG 3.32Å; C206-N210 PolarHBondContact O-N 3.27Å; C206-C238 VanDerWaalsContact CA-SG 3.57Å; C206-C238 HydrophobicContact CB-CB 3.63Å; C206-C238 WeakPolarHBondContact CB-SG 3.47Å; C206-C238 VanDerWaalsContact SG-CA 3.58Å; C206-C238 WeakPolarHBondContact SG-CB 3.48Å; C206-C238 CovalentContact SG-SG 2.02Å; C206-C238 PolarHBondContact SG-SG 2.86Å; C206-A244 PolarHBondContact N-O 3.03Å; C206-T246 PolarHBondContact N-O 2.84Å; C206-T246 PolarHBondContact SG-O 3.37Å; C206-T246 VanDerWaalsContact SG-O 3.42Å
207	G	98.2	Very high	98.6	Very high	32 Å²	32	30.6 Å²	30.6	33%	0.33	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-63.5	-7.3	-178	0	0	0	0	0	116.3	R205 A244	R205-G207 PolarHBondContact O-N 3.08Å; R205-G207 VanDerWaalsContact O-N 3.08Å; G207-A244 PolarHBondContact N-O 2.99Å
208	V	98.5	Very high	98.5	Very high	28 Å²	28	33.6 Å²	33.6	17%	0.17	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-104.1	-3.1	176.1	-60.6	0	0	0	0	114.3	P171 A204 R205 C206 L273	P171-V208 HydrophobicContact CG-CB 3.93Å; P171-V208 HydrophobicContact CG-CG1 4.43Å; A204-V208 HydrophobicContact CB-CG2 3.82Å; R205-V208 HydrophobicContact CG-CG1 4.01Å; R205-V208 HydrophobicContact CG-CG2 4.25Å; R205-V208 WeakPolarHBondContact O-CG2 3.47Å; R205-V208 PolarHBondContact O-N 3.35Å; C206-V208 PolarHBondContact O-N 3.33Å; V208-L273 HydrophobicContact CG2-CD2 3.83Å
209	F	98.8	Very high	98.5	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.4	-5.2	176.6	60.7	-100.8	0	0	0	114.1	A204 R205 C206 N211 R212 L213 L234 C238 T248 L272 L273	A204-F209 HydrophobicContact CB-CD1 4.3Å; A204-F209 HydrophobicContact CB-CE1 4.3Å; R205-F209 VanDerWaalsContact C-CE1 3.44Å; R205-F209 VanDerWaalsContact O-CD1 3.28Å; R205-F209 WeakPolarHBondContact O-CD1 3.46Å; R205-F209 WeakPolarHBondContact O-CE1 3.47Å; C206-F209 HydrophobicContact CB-CZ 4.46Å; C206-F209 PolarHBondContact O-N 3.36Å; C206-F209 VanDerWaalsContact O-N 3.13Å; F209-N211 PolarHBondContact O-N 2.87Å; F209-N211 VanDerWaalsContact O-N 3.14Å; F209-N211 PolarHBondContact O-OD1 2.78Å; F209-R212 WeakPolarHBondContact O-CB 3.47Å; F209-R212 PolarHBondContact O-N 2.9Å; F209-L213 HydrophobicContact CD2-CD1 4.15Å; F209-L213 HydrophobicContact CD2-CD2 4.5Å; F209-L213 HydrophobicContact CD2-CG 4.49Å; F209-L213 HydrophobicContact CE2-CD1 4.13Å; F209-L234 HydrophobicContact CD2-CD1 4.44Å; F209-L234 HydrophobicContact CE2-CB 4.48Å; F209-L234 HydrophobicContact CE2-CD1 4.34Å; F209-L234 HydrophobicContact CE2-CD2 4.01Å; F209-L234 HydrophobicContact CZ-CD2 4.32Å; F209-C238 WeakPolarHBondContact CE2-SG 3.46Å; F209-C238 VanDerWaalsContact CZ-SG 3.51Å; F209-T248 HydrophobicContact CE1-CG2 3.83Å; F209-T248 HydrophobicContact CZ-CG2 3.7Å; F209-L272 HydrophobicContact CD1-CD1 3.92Å; F209-L272 HydrophobicContact CD1-CD2 3.98Å; F209-L272 HydrophobicContact CD1-CG 3.91Å; F209-L272 HydrophobicContact CD2-CD1 4Å; F209-L272 HydrophobicContact CE1-CD1 4.02Å; F209-L272 HydrophobicContact CE1-CD2 3.98Å; F209-L272 HydrophobicContact CE1-CG 4.26Å; F209-L272 HydrophobicContact CE2-CD1 4.09Å; F209-L272 HydrophobicContact CG-CD1 3.91Å; F209-L272 HydrophobicContact CG-CG 4.17Å; F209-L272 HydrophobicContact CZ-CD1 4.11Å; F209-L273 HydrophobicContact CB-CD2 4.21Å; F209-L273 HydrophobicContact CD1-CD2 4.32Å
210	N	98.2	Very high	98.5	Very high	67 Å²	67	36.4 Å²	36.4	36%	0.358	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-63.4	-19.3	-178.8	66.1	-4.8	0	0	0	113.7	C206 R212 L213	C206-N210 WeakPolarHBondContact O-CB 3.14Å; C206-N210 VanDerWaalsContact O-CG 3.32Å; C206-N210 PolarHBondContact O-N 3.27Å; N210-R212 PolarHBondContact O-N 3.07Å; N210-L213 HydrophobicContact CB-CD1 4.24Å; N210-L213 PolarHBondContact O-N 2.76Å; N210-L213 VanDerWaalsContact O-N 3.1Å
211	N	98.5	Very high	98.5	Very high	45 Å²	45	41.3 Å²	41.3	24%	0.241	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-57.5	-28.8	170.9	71.3	-53.8	0	0	0	112.2	I172 F209 F216 Q274	I172-N211 WeakPolarHBondContact CG2-ND2 3.14Å; F209-N211 PolarHBondContact O-N 2.87Å; F209-N211 VanDerWaalsContact O-N 3.14Å; F209-N211 PolarHBondContact O-OD1 2.78Å; N211-F216 VanDerWaalsContact O-CA 3.27Å; N211-F216 WeakPolarHBondContact O-CA 3.46Å; N211-F216 PolarHBondContact O-N 2.83Å; N211-Q274 PolarHBondContact ND2-OE1 3.33Å
212	R	98.8	Very high	98.4	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-79.1	-16.4	179.2	-55.1	-177.2	75.8	-156.3	-1.8	113.8	F209 N210 F216 P222 D223 T225 L226 G271 L272 L273 Q274	F209-R212 WeakPolarHBondContact O-CB 3.47Å; F209-R212 PolarHBondContact O-N 2.9Å; N210-R212 PolarHBondContact O-N 3.07Å; R212-F216 HydrophobicContact CB-CD2 4.47Å; R212-F216 HydrophobicContact CG-CD2 4.22Å; R212-F216 HydrophobicContact CG-CE2 4.22Å; R212-P222 CarbonylContact O-C 3.15Å; R212-P222 WeakPolarHBondContact O-CA 3.4Å; R212-D223 HydrophobicContact CB-CB 3.84Å; R212-D223 HydrophobicContact CG-CB 4.3Å; R212-D223 IonicContact CZ-OD2 3.19Å; R212-D223 IonicContact NE-OD2 2.72Å; R212-D223 PolarHBondContact NE-OD2 3.47Å; R212-D223 IonicContact NH2-OD2 3.22Å; R212-D223 PolarHBondContact NH2-OD2 2.81Å; R212-D223 PolarHBondContact O-N 3.4Å; R212-T225 PolarHBondContact NH2-OG1 3.1Å; R212-L226 HydrophobicContact CB-CD2 4.46Å; R212-G271 PolarHBondContact NH1-O 3.22Å; R212-L272 PolarHBondContact NH1-O 3.3Å; R212-L273 PolarHBondContact NH1-O 3.23Å; R212-Q274 HydrophobicContact CG-CB 4.25Å
213	L	98.8	Very high	98.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-22.7	-161.3	-57.2	-177.5	0	0	0	114.7	F209 N210 L226 L231 L234 Q235 C238	F209-L213 HydrophobicContact CD2-CD1 4.15Å; F209-L213 HydrophobicContact CD2-CD2 4.5Å; F209-L213 HydrophobicContact CD2-CG 4.49Å; F209-L213 HydrophobicContact CE2-CD1 4.13Å; N210-L213 HydrophobicContact CB-CD1 4.24Å; N210-L213 PolarHBondContact O-N 2.76Å; N210-L213 VanDerWaalsContact O-N 3.1Å; L213-L226 HydrophobicContact CD2-CD2 3.79Å; L213-L231 HydrophobicContact CB-CD1 4.35Å; L213-L231 HydrophobicContact CD2-CD1 3.95Å; L213-L234 HydrophobicContact CD1-CB 4.08Å; L213-L234 HydrophobicContact CD2-CB 3.64Å; L213-L234 HydrophobicContact CD2-CD1 4.03Å; L213-Q235 HydrophobicContact CB-CG 4.21Å; L213-Q235 PolarHBondContact O-NE2 3.4Å; L213-C238 HydrophobicContact CD1-CB 3.74Å
214	F	98.6	Very high	98.4	Very high	48 Å²	48	46.5 Å²	46.5	21%	0.211	30%	0.296	C	S	.	.	S	Bend	trans	-137.9	-48.4	-171.6	-57.1	-76.3	0	0	0	113.4	N221 Q235 C238 Q240	F214-N221 CarbonylContact O-C 3.59Å; F214-N221 WeakPolarHBondContact O-CA 3.44Å; F214-Q235 HydrophobicContact CD1-CG 4.3Å; F214-Q235 HydrophobicContact CE1-CB 4.04Å; F214-Q235 HydrophobicContact CE1-CG 3.61Å; F214-Q235 HydrophobicContact CZ-CB 3.99Å; F214-Q235 HydrophobicContact CZ-CG 3.79Å; F214-C238 VanDerWaalsContact CE2-O 3.3Å; F214-C238 WeakPolarHBondContact CE2-O 3.38Å; F214-Q240 HydrophobicContact CB-CG 4.17Å; F214-Q240 HydrophobicContact CD1-CG 3.59Å; F214-Q240 HydrophobicContact CD2-CG 3.42Å; F214-Q240 VanDerWaalsContact CD2-CG 3.42Å; F214-Q240 HydrophobicContact CE1-CG 3.72Å; F214-Q240 HydrophobicContact CE2-CB 4.4Å; F214-Q240 HydrophobicContact CE2-CG 3.56Å; F214-Q240 HydrophobicContact CG-CG 3.44Å; F214-Q240 VanDerWaalsContact CG-CG 3.44Å; F214-Q240 HydrophobicContact CZ-CG 3.7Å
215	N	98.3	Very high	98.4	Very high	89 Å²	89	47.9 Å²	47.9	48%	0.476	30%	0.304	S	S	.	.			trans	-139.3	72.5	-176.5	-175.2	1.8	0	0	0	109.8	S217 G218 T219 G220 N221	N215-S217 PolarHBondContact O-N 3.22Å; N215-G218 WeakPolarHBondContact OD1-CA 3.26Å; N215-G218 PolarHBondContact OD1-N 3.33Å; N215-T219 PolarHBondContact OD1-N 3.05Å; N215-T219 VanDerWaalsContact OD1-N 3.08Å; N215-G220 WeakPolarHBondContact OD1-CA 3.48Å; N215-G220 PolarHBondContact OD1-N 3.17Å; N215-N221 CarbonylContact C-O 3.58Å; N215-N221 WeakPolarHBondContact CA-O 3.31Å
216	F	98.6	Very high	98.5	Very high	30 Å²	30	45.3 Å²	45.3	13%	0.132	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-68.1	121.2	-179.2	-175.9	-113.2	0	0	0	110.2	N211 R212 G218 T219 N221 D223 Q274	N211-F216 VanDerWaalsContact O-CA 3.27Å; N211-F216 WeakPolarHBondContact O-CA 3.46Å; N211-F216 PolarHBondContact O-N 2.83Å; R212-F216 HydrophobicContact CB-CD2 4.47Å; R212-F216 HydrophobicContact CG-CD2 4.22Å; R212-F216 HydrophobicContact CG-CE2 4.22Å; F216-G218 PolarHBondContact O-N 3.15Å; F216-G218 VanDerWaalsContact O-N 3.1Å; F216-T219 WeakPolarHBondContact O-CB 3.25Å; F216-T219 WeakPolarHBondContact O-CG2 3.48Å; F216-T219 PolarHBondContact O-N 3.03Å; F216-T219 PolarHBondContact O-OG1 2.95Å; F216-N221 WeakPolarHBondContact CB-O 3.34Å; F216-N221 PolarHBondContact N-O 2.88Å; F216-D223 HydrophobicContact CB-CB 4.03Å; F216-D223 HydrophobicContact CD1-CB 3.9Å; F216-D223 HydrophobicContact CD2-CB 3.78Å; F216-D223 HydrophobicContact CE1-CB 4.27Å; F216-D223 HydrophobicContact CE2-CB 4.15Å; F216-D223 HydrophobicContact CG-CB 3.62Å; F216-D223 HydrophobicContact CZ-CB 4.38Å; F216-Q274 HydrophobicContact CE2-CG 4.28Å; F216-Q274 HydrophobicContact CZ-CG 4.37Å
217	S	96.8	Very high	98.5	Very high	96 Å²	96	47.4 Å²	47.4	67%	0.671	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	52.1	33.1	177.8	-59	0	0	0	0	114.5	N215 T219	N215-S217 PolarHBondContact O-N 3.22Å; S217-T219 VanDerWaalsContact C-N 3.28Å; S217-T219 PolarHBondContact O-N 3.4Å
218	G	97.5	Very high	98.5	Very high	63 Å²	63	50.2 Å²	50.2	65%	0.649	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	75.6	10.3	178	0	0	0	0	0	115	N215 F216 G220	N215-G218 WeakPolarHBondContact OD1-CA 3.26Å; N215-G218 PolarHBondContact OD1-N 3.33Å; F216-G218 PolarHBondContact O-N 3.15Å; F216-G218 VanDerWaalsContact O-N 3.1Å; G218-G220 VanDerWaalsContact C-N 3.27Å; G218-G220 PolarHBondContact O-N 2.85Å
219	T	98.4	Very high	98.5	Very high	82 Å²	82	53.7 Å²	53.7	50%	0.503	34%	0.342	S	S	.	.	S	Bend	trans	-75.9	-10.1	-177.3	62.3	0	0	0	0	114.6	N215 F216 S217 N221	N215-T219 PolarHBondContact OD1-N 3.05Å; N215-T219 VanDerWaalsContact OD1-N 3.08Å; F216-T219 WeakPolarHBondContact O-CB 3.25Å; F216-T219 WeakPolarHBondContact O-CG2 3.48Å; F216-T219 PolarHBondContact O-N 3.03Å; F216-T219 PolarHBondContact O-OG1 2.95Å; S217-T219 VanDerWaalsContact C-N 3.28Å; S217-T219 PolarHBondContact O-N 3.4Å; T219-N221 PolarHBondContact O-N 2.87Å; T219-N221 PolarHBondContact O-ND2 3.13Å; T219-N221 VanDerWaalsContact O-ND2 3.16Å; T219-N221 PolarHBondContact OG1-N 3.1Å; T219-N221 PolarHBondContact OG1-O 3.45Å
220	G	98	Very high	98.5	Very high	51 Å²	51	54.7 Å²	54.7	53%	0.526	35%	0.347	S	S	.	.	S	Bend	trans	72.7	4.3	-171.2	0	0	0	0	0	114.4	N215 G218	N215-G220 WeakPolarHBondContact OD1-CA 3.48Å; N215-G220 PolarHBondContact OD1-N 3.17Å; G218-G220 VanDerWaalsContact C-N 3.27Å; G218-G220 PolarHBondContact O-N 2.85Å
221	N	98.6	Very high	98.5	Very high	103 Å²	103	52.7 Å²	52.7	55%	0.551	34%	0.336	S	S	*	.	S	Bend	trans	-128.6	159.2	-178.9	-65.6	-76.4	0	0	0	111	F214 N215 F216 T219	F214-N221 CarbonylContact O-C 3.59Å; F214-N221 WeakPolarHBondContact O-CA 3.44Å; N215-N221 CarbonylContact C-O 3.58Å; N215-N221 WeakPolarHBondContact CA-O 3.31Å; F216-N221 WeakPolarHBondContact CB-O 3.34Å; F216-N221 PolarHBondContact N-O 2.88Å; T219-N221 PolarHBondContact O-N 2.87Å; T219-N221 PolarHBondContact O-ND2 3.13Å; T219-N221 VanDerWaalsContact O-ND2 3.16Å; T219-N221 PolarHBondContact OG1-N 3.1Å; T219-N221 PolarHBondContact OG1-O 3.45Å
222	P	98.8	Very high	98.5	Very high	39 Å²	39	53.2 Å²	53.2	25%	0.253	34%	0.343	S	S	.	.			trans	-59.8	163.4	169.3	-21.8	34	0	0	0	112.7	R212 P224 L231	R212-P222 CarbonylContact O-C 3.15Å; R212-P222 WeakPolarHBondContact O-CA 3.4Å; P222-P224 WeakPolarHBondContact O-CD 3.46Å; P222-L231 HydrophobicContact CB-CD1 3.87Å; P222-L231 HydrophobicContact CB-CD2 3.66Å; P222-L231 HydrophobicContact CB-CG 4.44Å; P222-L231 HydrophobicContact CG-CD1 4.3Å; P222-L231 HydrophobicContact CG-CD2 3.82Å
223	D	98.8	Very high	98.5	Very high	6 Å²	6	57 Å²	57	3%	0.032	37%	0.367	C	S	.	.			trans	-60.9	120	173.4	-180	-9.8	0	0	0	109.8	R212 F216 T225 L226	R212-D223 HydrophobicContact CB-CB 3.84Å; R212-D223 HydrophobicContact CG-CB 4.3Å; R212-D223 IonicContact CZ-OD2 3.19Å; R212-D223 IonicContact NE-OD2 2.72Å; R212-D223 PolarHBondContact NE-OD2 3.47Å; R212-D223 IonicContact NH2-OD2 3.22Å; R212-D223 PolarHBondContact NH2-OD2 2.81Å; R212-D223 PolarHBondContact O-N 3.4Å; F216-D223 HydrophobicContact CB-CB 4.03Å; F216-D223 HydrophobicContact CD1-CB 3.9Å; F216-D223 HydrophobicContact CD2-CB 3.78Å; F216-D223 HydrophobicContact CE1-CB 4.27Å; F216-D223 HydrophobicContact CE2-CB 4.15Å; F216-D223 HydrophobicContact CG-CB 3.62Å; F216-D223 HydrophobicContact CZ-CB 4.38Å; D223-T225 PolarHBondContact O-N 2.88Å; D223-T225 VanDerWaalsContact O-N 3.15Å; D223-T225 WeakPolarHBondContact OD1-CB 3.44Å; D223-T225 PolarHBondContact OD1-N 3.4Å; D223-T225 PolarHBondContact OD1-OG1 3.39Å; D223-T225 PolarHBondContact OD2-OG1 3.23Å; D223-T225 VanDerWaalsContact OD2-OG1 3.07Å; D223-L226 HydrophobicContact CB-CB 4.47Å; D223-L226 PolarHBondContact O-N 3.26Å
224	P	98.7	Very high	98.5	Very high	119 Å²	119	57.1 Å²	57.1	77%	0.773	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.7	-177.7	29.7	-37	0	0	0	113.6	P222	P222-P224 WeakPolarHBondContact O-CD 3.46Å
225	T	98.8	Very high	98.5	Very high	38 Å²	38	57.6 Å²	57.6	23%	0.233	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	2.2	177.2	69.5	0	0	0	0	113.4	R212 D223 N269 Q277	R212-T225 PolarHBondContact NH2-OG1 3.1Å; D223-T225 PolarHBondContact O-N 2.88Å; D223-T225 VanDerWaalsContact O-N 3.15Å; D223-T225 WeakPolarHBondContact OD1-CB 3.44Å; D223-T225 PolarHBondContact OD1-N 3.4Å; D223-T225 PolarHBondContact OD1-OG1 3.39Å; D223-T225 PolarHBondContact OD2-OG1 3.23Å; D223-T225 VanDerWaalsContact OD2-OG1 3.07Å; T225-N269 VanDerWaalsContact O-CB 3.31Å; T225-N269 WeakPolarHBondContact O-CB 3.27Å; T225-N269 PolarHBondContact O-ND2 3.05Å; T225-Q277 WeakPolarHBondContact O-CG 3.37Å
226	L	98.9	Very high	98.5	Very high	11 Å²	11	60.5 Å²	60.5	6%	0.058	38%	0.381	C	S	.	.	S	Bend	trans	-96.1	129.3	174.4	-176.9	59.8	0	0	0	110.3	R212 L213 D223 S228 L230 L231 L234	R212-L226 HydrophobicContact CB-CD2 4.46Å; L213-L226 HydrophobicContact CD2-CD2 3.79Å; D223-L226 HydrophobicContact CB-CB 4.47Å; D223-L226 PolarHBondContact O-N 3.26Å; L226-S228 PolarHBondContact O-N 3Å; L226-L230 HydrophobicContact CD1-CD2 3.82Å; L226-L230 HydrophobicContact CD1-CG 4.2Å; L226-L231 HydrophobicContact CD2-CB 4.04Å; L226-L231 HydrophobicContact CD2-CD1 3.95Å; L226-L231 HydrophobicContact CG-CB 4.18Å; L226-L234 HydrophobicContact CD2-CD1 4.31Å
227	N	98.8	Very high	98.5	Very high	46 Å²	46	62.1 Å²	62.1	25%	0.246	39%	0.391	C	S	.	.			trans	-53.7	128.8	177.3	-175.6	-60.3	0	0	0	110.7	T229 L230 L231 S268 N269 D270	N227-T229 PolarHBondContact O-N 2.91Å; N227-T229 WeakPolarHBondContact OD1-CB 3.49Å; N227-T229 PolarHBondContact OD1-N 3.41Å; N227-L230 HydrophobicContact CB-CB 4.14Å; N227-L230 PolarHBondContact O-N 2.67Å; N227-L231 WeakPolarHBondContact O-CB 3.23Å; N227-L231 PolarHBondContact O-N 3.4Å; N227-S268 PolarHBondContact ND2-O 3.24Å; N227-S268 VanDerWaalsContact ND2-O 3.09Å; N227-N269 HydrophobicContact CB-CB 4.16Å; N227-N269 WeakPolarHBondContact CB-O 3.44Å; N227-N269 PolarHBondContact N-O 2.93Å; N227-D270 WeakPolarHBondContact CB-OD1 3.04Å
228	S	98.7	Very high	98.6	Very high	91 Å²	91	57.7 Å²	57.7	64%	0.636	36%	0.36	S	S	*	.	H	α-helix	trans	-61.3	-29.1	-174.7	62.8	0	0	0	0	114.3	L226 S232	L226-S228 PolarHBondContact O-N 3Å; S228-S232 PolarHBondContact O-N 2.84Å
229	T	98.7	Very high	98.7	Very high	102 Å²	102	58 Å²	58	63%	0.626	35%	0.35	S	S	*	.	H	α-helix	trans	-72.9	-49.4	176.3	-61.3	0	0	0	0	110.1	N227 L231 S232 T233	N227-T229 PolarHBondContact O-N 2.91Å; N227-T229 WeakPolarHBondContact OD1-CB 3.49Å; N227-T229 PolarHBondContact OD1-N 3.41Å; T229-L231 VanDerWaalsContact C-N 3.32Å; T229-L231 PolarHBondContact O-N 3.49Å; T229-S232 PolarHBondContact O-N 3.33Å; T229-T233 PolarHBondContact O-N 3.35Å; T229-T233 PolarHBondContact O-OG1 3.42Å
230	L	98.7	Very high	98.5	Very high	22 Å²	22	61 Å²	61	12%	0.115	36%	0.359	C	S	.	.	H	α-helix	trans	-60.4	-42.4	175.3	-179.7	58.4	0	0	0	111.5	L226 N227 S232 T233 L234 D270	L226-L230 HydrophobicContact CD1-CD2 3.82Å; L226-L230 HydrophobicContact CD1-CG 4.2Å; N227-L230 HydrophobicContact CB-CB 4.14Å; N227-L230 PolarHBondContact O-N 2.67Å; L230-S232 VanDerWaalsContact C-N 3.32Å; L230-S232 PolarHBondContact O-N 2.93Å; L230-T233 WeakPolarHBondContact O-CB 3.21Å; L230-T233 PolarHBondContact O-N 3.42Å; L230-T233 VanDerWaalsContact O-N 3.17Å; L230-L234 HydrophobicContact CD1-CD1 4.09Å; L230-L234 HydrophobicContact CD1-CD2 4.33Å; L230-L234 HydrophobicContact CD1-CG 3.93Å; L230-L234 HydrophobicContact CD2-CD1 4.38Å; L230-L234 HydrophobicContact CG-CD1 3.84Å; L230-L234 HydrophobicContact CG-CG 4.13Å; L230-L234 VanDerWaalsContact O-CG 3.31Å; L230-L234 WeakPolarHBondContact O-CG 3.43Å; L230-L234 PolarHBondContact O-N 3.37Å; L230-D270 HydrophobicContact CD2-CB 4.04Å; L230-D270 WeakPolarHBondContact CD2-O 3.03Å
231	L	98.8	Very high	98.4	Very high	24 Å²	24	66.5 Å²	66.5	13%	0.126	38%	0.376	C	S	.	.	H	α-helix	trans	-52.4	-49.2	174.7	170.5	64.4	0	0	0	111.5	L213 P222 L226 N227 T229 T233 L234 Q235	L213-L231 HydrophobicContact CB-CD1 4.35Å; L213-L231 HydrophobicContact CD2-CD1 3.95Å; P222-L231 HydrophobicContact CB-CD1 3.87Å; P222-L231 HydrophobicContact CB-CD2 3.66Å; P222-L231 HydrophobicContact CB-CG 4.44Å; P222-L231 HydrophobicContact CG-CD1 4.3Å; P222-L231 HydrophobicContact CG-CD2 3.82Å; L226-L231 HydrophobicContact CD2-CB 4.04Å; L226-L231 HydrophobicContact CD2-CD1 3.95Å; L226-L231 HydrophobicContact CG-CB 4.18Å; N227-L231 WeakPolarHBondContact O-CB 3.23Å; N227-L231 PolarHBondContact O-N 3.4Å; T229-L231 VanDerWaalsContact C-N 3.32Å; T229-L231 PolarHBondContact O-N 3.49Å; L231-T233 VanDerWaalsContact C-N 3.33Å; L231-T233 PolarHBondContact O-N 3.04Å; L231-L234 PolarHBondContact O-N 3.21Å; L231-Q235 HydrophobicContact CD1-CG 3.9Å; L231-Q235 HydrophobicContact CG-CG 4.38Å; L231-Q235 WeakPolarHBondContact O-CB 3.47Å; L231-Q235 VanDerWaalsContact O-CG 3.3Å; L231-Q235 WeakPolarHBondContact O-CG 2.92Å; L231-Q235 PolarHBondContact O-N 2.89Å
232	S	98.7	Very high	98.3	Very high	56 Å²	56	63.3 Å²	63.3	39%	0.392	37%	0.368	S	S	.	.	H	α-helix	trans	-61.8	-41.4	-179.9	-171.6	0	0	0	0	112.1	S228 T229 L230 Q236	S228-S232 PolarHBondContact O-N 2.84Å; T229-S232 PolarHBondContact O-N 3.33Å; L230-S232 VanDerWaalsContact C-N 3.32Å; L230-S232 PolarHBondContact O-N 2.93Å; S232-Q236 WeakPolarHBondContact O-CG 3.47Å; S232-Q236 PolarHBondContact O-N 3.04Å; S232-Q236 PolarHBondContact O-NE2 3.43Å
233	T	98.7	Very high	98.3	Very high	82 Å²	82	64.4 Å²	64.4	50%	0.503	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-46.6	174.2	-60.1	0	0	0	0	111.5	T229 L230 L231 Q236 L237	T229-T233 PolarHBondContact O-N 3.35Å; T229-T233 PolarHBondContact O-OG1 3.42Å; L230-T233 WeakPolarHBondContact O-CB 3.21Å; L230-T233 PolarHBondContact O-N 3.42Å; L230-T233 VanDerWaalsContact O-N 3.17Å; L231-T233 VanDerWaalsContact C-N 3.33Å; L231-T233 PolarHBondContact O-N 3.04Å; T233-Q236 PolarHBondContact O-N 3.41Å; T233-L237 PolarHBondContact O-N 3.23Å; T233-L237 VanDerWaalsContact O-N 3.08Å
234	L	98.8	Very high	98.3	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.01	40%	0.395	C	S	.	.	H	α-helix	trans	-69.1	-33.7	-178.7	-66.4	179.6	0	0	0	112.6	F209 L213 L226 L230 L231 Q236 L237 C238 T248 L272	F209-L234 HydrophobicContact CD2-CD1 4.44Å; F209-L234 HydrophobicContact CE2-CB 4.48Å; F209-L234 HydrophobicContact CE2-CD1 4.34Å; F209-L234 HydrophobicContact CE2-CD2 4.01Å; F209-L234 HydrophobicContact CZ-CD2 4.32Å; L213-L234 HydrophobicContact CD1-CB 4.08Å; L213-L234 HydrophobicContact CD2-CB 3.64Å; L213-L234 HydrophobicContact CD2-CD1 4.03Å; L226-L234 HydrophobicContact CD2-CD1 4.31Å; L230-L234 HydrophobicContact CD1-CD1 4.09Å; L230-L234 HydrophobicContact CD1-CD2 4.33Å; L230-L234 HydrophobicContact CD1-CG 3.93Å; L230-L234 HydrophobicContact CD2-CD1 4.38Å; L230-L234 HydrophobicContact CG-CD1 3.84Å; L230-L234 HydrophobicContact CG-CG 4.13Å; L230-L234 VanDerWaalsContact O-CG 3.31Å; L230-L234 WeakPolarHBondContact O-CG 3.43Å; L230-L234 PolarHBondContact O-N 3.37Å; L231-L234 PolarHBondContact O-N 3.21Å; L234-Q236 VanDerWaalsContact C-N 3.33Å; L234-Q236 PolarHBondContact O-N 2.74Å; L234-L237 PolarHBondContact O-N 3.17Å; L234-C238 WeakPolarHBondContact O-CA 3.33Å; L234-C238 VanDerWaalsContact O-CB 3.27Å; L234-C238 WeakPolarHBondContact O-CB 3.48Å; L234-C238 PolarHBondContact O-N 3.43Å; L234-T248 HydrophobicContact CD2-CG2 4.16Å; L234-L272 HydrophobicContact CD1-CD1 3.61Å; L234-L272 HydrophobicContact CD2-CD1 3.95Å; L234-L272 HydrophobicContact CG-CD1 4.46Å
235	Q	98.7	Very high	98.2	Very high	58 Å²	58	64.9 Å²	64.9	27%	0.271	39%	0.386	S	S	.	.	H	α-helix	trans	-65.2	-35.8	174.6	-75.6	177.8	-26.2	0	0	112.5	L213 F214 L231 C238 P239	L213-Q235 HydrophobicContact CB-CG 4.21Å; L213-Q235 PolarHBondContact O-NE2 3.4Å; F214-Q235 HydrophobicContact CD1-CG 4.3Å; F214-Q235 HydrophobicContact CE1-CB 4.04Å; F214-Q235 HydrophobicContact CE1-CG 3.61Å; F214-Q235 HydrophobicContact CZ-CB 3.99Å; F214-Q235 HydrophobicContact CZ-CG 3.79Å; L231-Q235 HydrophobicContact CD1-CG 3.9Å; L231-Q235 HydrophobicContact CG-CG 4.38Å; L231-Q235 WeakPolarHBondContact O-CB 3.47Å; L231-Q235 VanDerWaalsContact O-CG 3.3Å; L231-Q235 WeakPolarHBondContact O-CG 2.92Å; L231-Q235 PolarHBondContact O-N 2.89Å; Q235-C238 CarbonylContact O-C 3.47Å; Q235-P239 WeakPolarHBondContact O-CA 3.38Å
236	Q	98.5	Very high	98.2	Very high	150 Å²	150	65.4 Å²	65.4	70%	0.701	39%	0.389	S	S	*	.	H	α-helix	trans	-70.4	-40.7	174.7	-70	174	57.8	0	0	111.5	S232 T233 L234	S232-Q236 WeakPolarHBondContact O-CG 3.47Å; S232-Q236 PolarHBondContact O-N 3.04Å; S232-Q236 PolarHBondContact O-NE2 3.43Å; T233-Q236 PolarHBondContact O-N 3.41Å; L234-Q236 VanDerWaalsContact C-N 3.33Å; L234-Q236 PolarHBondContact O-N 2.74Å
237	L	98.6	Very high	98.2	Very high	63 Å²	63	68.9 Å²	68.9	33%	0.33	41%	0.407	S	S	.	.	H	α-helix	trans	-69.2	-39	178	-174.3	67.4	0	0	0	112.5	T233 L234 P239 T246 T248	T233-L237 PolarHBondContact O-N 3.23Å; T233-L237 VanDerWaalsContact O-N 3.08Å; L234-L237 PolarHBondContact O-N 3.17Å; L237-P239 VanDerWaalsContact C-CD 3.44Å; L237-P239 WeakPolarHBondContact O-CD 3.4Å; L237-T246 HydrophobicContact CD1-CG2 3.69Å; L237-T246 HydrophobicContact CG-CG2 3.95Å; L237-T248 HydrophobicContact CD2-CG2 4.37Å
238	C	98.6	Very high	98.2	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.02	41%	0.405	C	S	.	.	S	Bend	trans	-122.6	67.9	-173.7	-54.6	0	0	0	0	110.7	C206 F209 L213 F214 L234 Q235	C206-C238 VanDerWaalsContact CA-SG 3.57Å; C206-C238 HydrophobicContact CB-CB 3.63Å; C206-C238 WeakPolarHBondContact CB-SG 3.47Å; C206-C238 VanDerWaalsContact SG-CA 3.58Å; C206-C238 WeakPolarHBondContact SG-CB 3.48Å; C206-C238 CovalentContact SG-SG 2.02Å; C206-C238 PolarHBondContact SG-SG 2.86Å; F209-C238 WeakPolarHBondContact CE2-SG 3.46Å; F209-C238 VanDerWaalsContact CZ-SG 3.51Å; L213-C238 HydrophobicContact CD1-CB 3.74Å; F214-C238 VanDerWaalsContact CE2-O 3.3Å; F214-C238 WeakPolarHBondContact CE2-O 3.38Å; L234-C238 WeakPolarHBondContact O-CA 3.33Å; L234-C238 VanDerWaalsContact O-CB 3.27Å; L234-C238 WeakPolarHBondContact O-CB 3.48Å; L234-C238 PolarHBondContact O-N 3.43Å; Q235-C238 CarbonylContact O-C 3.47Å
239	P	98.2	Very high	98.2	Very high	70 Å²	70	66.4 Å²	66.4	46%	0.455	39%	0.388	S	S	.	.			trans	-63.3	154.5	179.3	23.9	-29.2	0	0	0	111	Q235 L237 N241 G242	Q235-P239 WeakPolarHBondContact O-CA 3.38Å; L237-P239 VanDerWaalsContact C-CD 3.44Å; L237-P239 WeakPolarHBondContact O-CD 3.4Å; P239-N241 PolarHBondContact O-N 3.22Å; P239-G242 WeakPolarHBondContact O-CA 3.36Å; P239-G242 PolarHBondContact O-N 2.83Å
240	Q	95.9	Very high	98.2	Very high	144 Å²	144	62.5 Å²	62.5	67%	0.673	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-37.2	-173.6	-71	-179.8	49	0	0	114.3	F214	F214-Q240 HydrophobicContact CB-CG 4.17Å; F214-Q240 HydrophobicContact CD1-CG 3.59Å; F214-Q240 HydrophobicContact CD2-CG 3.42Å; F214-Q240 VanDerWaalsContact CD2-CG 3.42Å; F214-Q240 HydrophobicContact CE1-CG 3.72Å; F214-Q240 HydrophobicContact CE2-CB 4.4Å; F214-Q240 HydrophobicContact CE2-CG 3.56Å; F214-Q240 HydrophobicContact CG-CG 3.44Å; F214-Q240 VanDerWaalsContact CG-CG 3.44Å; F214-Q240 HydrophobicContact CZ-CG 3.7Å
241	N	95.5	Very high	98.2	Very high	168 Å²	168	61.5 Å²	61.5	90%	0.898	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	22.3	178.6	-58.8	-49.9	0	0	0	112.3	P239	P239-N241 PolarHBondContact O-N 3.22Å
242	G	96.9	Very high	98.2	Very high	36 Å²	36	64.3 Å²	64.3	37%	0.371	37%	0.373	S	S	.	.	S	Bend	trans	-83.4	-179.8	178.3	0	0	0	0	0	113.5	P239 A244	P239-G242 WeakPolarHBondContact O-CA 3.36Å; P239-G242 PolarHBondContact O-N 2.83Å; G242-A244 PolarHBondContact O-N 2.83Å
243	S	97.9	Very high	98.2	Very high	62 Å²	62	64.6 Å²	64.6	43%	0.434	37%	0.374	S	S	.	.			trans	-68.9	124.6	174.3	-176.7	0	0	0	0	111.5	S245	S243-S245 PolarHBondContact O-N 3.23Å; S243-S245 PolarHBondContact OG-N 3.22Å; S243-S245 PolarHBondContact OG-OG 3.38Å
244	A	97.8	Very high	98.2	Very high	52 Å²	52	62.6 Å²	62.6	43%	0.43	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.7	172.7	0	0	0	0	0	113.5	R205 C206 G207 G242	R205-A244 WeakPolarHBondContact CB-O 3.29Å; C206-A244 PolarHBondContact N-O 3.03Å; G207-A244 PolarHBondContact N-O 2.99Å; G242-A244 PolarHBondContact O-N 2.83Å
245	S	98.3	Very high	98.2	Very high	82 Å²	82	64.2 Å²	64.2	57%	0.573	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-12.1	-178.6	68	0	0	0	0	114.4	S243 I247	S243-S245 PolarHBondContact O-N 3.23Å; S243-S245 PolarHBondContact OG-N 3.22Å; S243-S245 PolarHBondContact OG-OG 3.38Å; S245-I247 WeakPolarHBondContact O-CG2 3.28Å; S245-I247 PolarHBondContact O-N 3.27Å
246	T	98.6	Very high	98.2	Very high	50 Å²	50	64.4 Å²	64.4	31%	0.307	38%	0.376	S	S	.	.			trans	-55.7	133.8	174.7	-59.5	0	0	0	0	109.5	R205 C206 L237	R205-T246 CarbonylContact C-O 3.54Å; R205-T246 VanDerWaalsContact CA-O 3.25Å; R205-T246 WeakPolarHBondContact CA-O 3.27Å; C206-T246 PolarHBondContact N-O 2.84Å; C206-T246 PolarHBondContact SG-O 3.37Å; C206-T246 VanDerWaalsContact SG-O 3.42Å; L237-T246 HydrophobicContact CD1-CG2 3.69Å; L237-T246 HydrophobicContact CG-CG2 3.95Å
247	I	98.8	Very high	98.2	Very high	83 Å²	83	59 Å²	59	43%	0.426	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	151.1	-175.3	61.7	175.3	0	0	0	112.2	R203 A204 R205 S245	R203-I247 HydrophobicContact CB-CB 4.33Å; R203-I247 HydrophobicContact CB-CD1 4.41Å; R203-I247 HydrophobicContact CG-CD1 4.28Å; A204-I247 CarbonylContact O-C 3.44Å; A204-I247 VanDerWaalsContact O-CA 3.26Å; A204-I247 WeakPolarHBondContact O-CA 3.22Å; R205-I247 HydrophobicContact CB-CG2 4.27Å; S245-I247 WeakPolarHBondContact O-CG2 3.28Å; S245-I247 PolarHBondContact O-N 3.27Å
248	T	98.9	Very high	98.2	Very high	33 Å²	33	56.1 Å²	56.1	20%	0.202	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	171.6	166.6	-164	0	0	0	0	110.2	R203 A204 F209 L234 L237 L272	R203-T248 CarbonylContact C-O 3.49Å; R203-T248 WeakPolarHBondContact CA-O 3.2Å; R203-T248 VanDerWaalsContact CB-O 3.27Å; R203-T248 WeakPolarHBondContact CB-O 3.05Å; A204-T248 PolarHBondContact N-O 3.32Å; A204-T248 PolarHBondContact O-N 3.49Å; F209-T248 HydrophobicContact CE1-CG2 3.83Å; F209-T248 HydrophobicContact CZ-CG2 3.7Å; L234-T248 HydrophobicContact CD2-CG2 4.16Å; L237-T248 HydrophobicContact CD2-CG2 4.37Å; T248-L272 HydrophobicContact CG2-CD1 3.97Å; T248-L272 HydrophobicContact CG2-CD2 3.6Å; T248-L272 HydrophobicContact CG2-CG 4.47Å
249	N	98.9	Very high	98.3	Very high	53 Å²	53	56.9 Å²	56.9	28%	0.283	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	139.4	176.5	-52.6	-41.5	0	0	0	110.6	R203 D251 P255 L272	R203-N249 WeakPolarHBondContact CD-OD1 3.48Å; R203-N249 VanDerWaalsContact CZ-OD1 3.31Å; R203-N249 PolarHBondContact NE-OD1 2.79Å; N249-D251 WeakPolarHBondContact CB-O 3.3Å; N249-P255 HydrophobicContact CB-CB 3.86Å; N249-P255 HydrophobicContact CB-CG 4.08Å; N249-P255 VanDerWaalsContact CG-CB 3.46Å; N249-P255 VanDerWaalsContact ND2-CG 3.28Å; N249-P255 WeakPolarHBondContact ND2-CG 3.42Å; N249-L272 WeakPolarHBondContact O-CD2 3.49Å
250	L	98.9	Very high	98.3	Very high	20 Å²	20	54.5 Å²	54.5	11%	0.105	33%	0.329	C	S	.	.	S	Bend	trans	-66.1	-42.3	171.6	-79.4	158.1	0	0	0	110.8	H199 G202 A204 L272 L273	H199-L250 HydrophobicContact CB-CB 4.24Å; H199-L250 HydrophobicContact CB-CD1 4.3Å; H199-L250 HydrophobicContact CB-CD2 4.27Å; H199-L250 WeakPolarHBondContact O-CB 3.28Å; G202-L250 PolarHBondContact O-N 3.35Å; A204-L250 HydrophobicContact CB-CD2 3.9Å; A204-L250 HydrophobicContact CB-CG 4.2Å; L250-L272 HydrophobicContact CD2-CD2 4.24Å; L250-L273 HydrophobicContact CD2-CD1 3.83Å; L250-L273 HydrophobicContact CD2-CD2 4.42Å; L250-L273 HydrophobicContact CD2-CG 3.97Å
251	D	98.9	Very high	98.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	31%	0.309	C	S	.	.			trans	-102	122.7	170	176.6	19.4	0	0	0	110.4	T200 N249 S253 T254 P255 N265	T200-D251 WeakPolarHBondContact O-CB 3.36Å; N249-D251 WeakPolarHBondContact CB-O 3.3Å; D251-S253 WeakPolarHBondContact OD1-CB 3.38Å; D251-S253 PolarHBondContact OD1-N 2.02Å; D251-T254 VanDerWaalsContact OD2-C 3.32Å; D251-T254 WeakPolarHBondContact OD2-CA 3.5Å; D251-T254 PolarHBondContact OD2-N 3.01Å; D251-T254 PolarHBondContact OD2-OG1 3.08Å; D251-P255 WeakPolarHBondContact O-CA 3.4Å; D251-P255 WeakPolarHBondContact O-CG 3.4Å; D251-N265 PolarHBondContact OD1-ND2 3.08Å
252	L	98.5	Very high	98.6	Very high	84 Å²	84	42 Å²	42	44%	0.44	27%	0.266	S	S	.	.	S	Bend	trans	-80.7	-20.4	175.5	65.8	140.6	0	0	0	113.4	N265 D270	L252-N265 HydrophobicContact CD2-CB 4.34Å; L252-D270 HydrophobicContact CD2-CB 3.63Å; L252-D270 WeakPolarHBondContact CD2-O 3.47Å
253	S	98.6	Very high	98.7	Very high	61 Å²	61	40.3 Å²	40.3	43%	0.427	25%	0.249	S	C	.	.	S	Bend	trans	-81.9	-51.1	-173.6	-68.6	0	0	0	0	110.6	D251 N265	D251-S253 WeakPolarHBondContact OD1-CB 3.38Å; D251-S253 PolarHBondContact OD1-N 2.02Å; S253-N265 PolarHBondContact OG-OD1 2.99Å
254	T	98.8	Very high	98.7	Very high	41 Å²	41	38.8 Å²	38.8	25%	0.252	24%	0.24	S	C	.	.	S	Bend	trans	-139.7	69.2	-175.1	36.9	0	0	0	0	111.7	D251 D256 A257 D259 N261	D251-T254 VanDerWaalsContact OD2-C 3.32Å; D251-T254 WeakPolarHBondContact OD2-CA 3.5Å; D251-T254 PolarHBondContact OD2-N 3.01Å; D251-T254 PolarHBondContact OD2-OG1 3.08Å; T254-D256 PolarHBondContact O-N 3.13Å; T254-A257 PolarHBondContact O-N 3.4Å; T254-D259 WeakPolarHBondContact CB-OD2 3.5Å; T254-D259 PolarHBondContact OG1-OD1 3.28Å; T254-D259 PolarHBondContact OG1-OD2 3.2Å; T254-N261 WeakPolarHBondContact OG1-CB 3.49Å; T254-N261 PolarHBondContact OG1-ND2 3.3Å
255	P	98.7	Very high	98.8	Very high	36 Å²	36	36.8 Å²	36.8	23%	0.234	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-23.1	-163.8	-32.7	37.7	0	0	0	119.3	F201 G202 R203 N249 D251	F201-P255 WeakPolarHBondContact CA-O 3.32Å; G202-P255 PolarHBondContact N-O 2.92Å; R203-P255 PolarHBondContact NH1-O 2.82Å; N249-P255 HydrophobicContact CB-CB 3.86Å; N249-P255 HydrophobicContact CB-CG 4.08Å; N249-P255 VanDerWaalsContact CG-CB 3.46Å; N249-P255 VanDerWaalsContact ND2-CG 3.28Å; N249-P255 WeakPolarHBondContact ND2-CG 3.42Å; D251-P255 WeakPolarHBondContact O-CA 3.4Å; D251-P255 WeakPolarHBondContact O-CG 3.4Å
256	D	98.8	Very high	98.8	Very high	62 Å²	62	32.9 Å²	32.9	33%	0.332	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-2.5	-174.6	-71.4	-25.8	0	0	0	113.3	T60 R203 T254	T60-D256 WeakPolarHBondContact CB-OD2 3.48Å; T60-D256 PolarHBondContact OG1-OD2 3.23Å; R203-D256 IonicContact CZ-OD1 2.8Å; R203-D256 IonicContact NH1-OD1 3.41Å; R203-D256 PolarHBondContact NH1-OD1 3.49Å; R203-D256 VanDerWaalsContact NH2-CG 3.33Å; R203-D256 IonicContact NH2-OD1 3.71Å; R203-D256 PolarHBondContact NH2-OD1 3.16Å; R203-D256 IonicContact NH2-OD2 2.65Å; R203-D256 PolarHBondContact NH2-OD2 3.47Å; T254-D256 PolarHBondContact O-N 3.13Å
257	A	98.9	Very high	98.8	Very high	36 Å²	36	34.1 Å²	34.1	30%	0.298	20%	0.197	S	C	.	.	S	Bend	trans	-93.3	146.9	175.7	0	0	0	0	0	110.3	T254	T254-A257 PolarHBondContact O-N 3.4Å
258	F	98.9	Very high	98.8	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.013	20%	0.198	C	C	.	.			trans	-97.8	100.8	173.4	-164.2	-72.1	0	0	0	109.9	V139 A142 T200 F201 F301 F302 F305	V139-F258 HydrophobicContact CB-CD2 4.26Å; V139-F258 HydrophobicContact CB-CE2 4.4Å; V139-F258 HydrophobicContact CG1-CB 4.5Å; V139-F258 HydrophobicContact CG1-CD1 3.78Å; V139-F258 HydrophobicContact CG1-CD2 3.81Å; V139-F258 HydrophobicContact CG1-CE1 3.9Å; V139-F258 HydrophobicContact CG1-CE2 3.91Å; V139-F258 HydrophobicContact CG1-CG 3.75Å; V139-F258 HydrophobicContact CG1-CZ 3.97Å; V139-F258 HydrophobicContact CG2-CD2 3.86Å; V139-F258 HydrophobicContact CG2-CE2 3.7Å; V139-F258 HydrophobicContact CG2-CZ 4.35Å; A142-F258 HydrophobicContact CB-CB 3.79Å; A142-F258 PolarHBondContact O-N 2.85Å; T200-F258 HydrophobicContact CG2-CB 4.19Å; T200-F258 HydrophobicContact CG2-CD1 4.16Å; T200-F258 HydrophobicContact CG2-CD2 3.56Å; T200-F258 HydrophobicContact CG2-CE1 4.41Å; T200-F258 HydrophobicContact CG2-CE2 3.86Å; T200-F258 HydrophobicContact CG2-CG 3.72Å; T200-F258 HydrophobicContact CG2-CZ 4.26Å; F201-F258 HydrophobicContact CD1-CD2 4.27Å; F201-F258 HydrophobicContact CD2-CD2 4.42Å; F201-F258 AromaticContact CE1-CD2 3.98Å; F201-F258 HydrophobicContact CE1-CD2 3.98Å; F201-F258 HydrophobicContact CE1-CE2 4.22Å; F201-F258 HydrophobicContact CE2-CD2 4.14Å; F201-F258 HydrophobicContact CG-CD2 4.49Å; F201-F258 AromaticContact CZ-CD2 3.91Å; F201-F258 HydrophobicContact CZ-CD2 3.91Å; F201-F258 HydrophobicContact CZ-CE2 4.38Å; F258-F301 HydrophobicContact CD1-CE1 4.39Å; F258-F301 AromaticContact CE1-CE1 3.7Å; F258-F301 HydrophobicContact CE1-CE1 3.7Å; F258-F301 AromaticContact CE1-CZ 3.66Å; F258-F301 HydrophobicContact CE1-CZ 3.66Å; F258-F301 HydrophobicContact CZ-CE1 4.38Å; F258-F301 AromaticContact CZ-CZ 3.91Å; F258-F301 HydrophobicContact CZ-CZ 3.91Å; F258-F302 HydrophobicContact CD1-CE1 4.01Å; F258-F302 HydrophobicContact CD1-CZ 4.45Å; F258-F302 HydrophobicContact CE1-CE1 4.24Å; F258-F302 VanDerWaalsContact O-CZ 3.31Å; F258-F302 WeakPolarHBondContact O-CZ 3.4Å; F258-F305 HydrophobicContact CE1-CD1 4.12Å; F258-F305 HydrophobicContact CE1-CD2 4.49Å; F258-F305 HydrophobicContact CE1-CE1 4.27Å; F258-F305 HydrophobicContact CE1-CG 4.24Å; F258-F305 HydrophobicContact CE2-CE1 4.04Å; F258-F305 HydrophobicContact CE2-CE2 4.22Å; F258-F305 AromaticContact CE2-CZ 3.79Å; F258-F305 HydrophobicContact CE2-CZ 3.79Å; F258-F305 AromaticContact CZ-CD1 3.72Å; F258-F305 HydrophobicContact CZ-CD1 3.72Å; F258-F305 AromaticContact CZ-CD2 3.81Å; F258-F305 HydrophobicContact CZ-CD2 3.81Å; F258-F305 AromaticContact CZ-CE1 3.48Å; F258-F305 HydrophobicContact CZ-CE1 3.48Å; F258-F305 VanDerWaalsContact CZ-CE1 3.48Å; F258-F305 AromaticContact CZ-CE2 3.59Å; F258-F305 HydrophobicContact CZ-CE2 3.59Å; F258-F305 AromaticContact CZ-CG 3.88Å; F258-F305 HydrophobicContact CZ-CG 3.88Å; F258-F305 AromaticContact CZ-CZ 3.41Å; F258-F305 HydrophobicContact CZ-CZ 3.41Å; F258-F305 VanDerWaalsContact CZ-CZ 3.41Å
259	D	98.9	Very high	98.8	Very high	18 Å²	18	34.3 Å²	34.3	10%	0.096	20%	0.202	C	C	.	.	S	Bend	trans	-147.5	-168.5	-176.8	61.2	40	0	0	0	111.5	T200 T254 N261 F301	T200-D259 WeakPolarHBondContact CB-O 3.21Å; T200-D259 PolarHBondContact OG1-N 2.96Å; T200-D259 PolarHBondContact OG1-O 3.03Å; T200-D259 PolarHBondContact OG1-OD1 2.89Å; T254-D259 WeakPolarHBondContact CB-OD2 3.5Å; T254-D259 PolarHBondContact OG1-OD1 3.28Å; T254-D259 PolarHBondContact OG1-OD2 3.2Å; D259-N261 WeakPolarHBondContact OD1-CB 3.22Å; D259-N261 PolarHBondContact OD1-N 2.78Å; D259-N261 PolarHBondContact OD1-ND2 2.95Å; D259-N261 PolarHBondContact OD2-ND2 3.2Å; D259-F301 WeakPolarHBondContact O-CE1 3.47Å
260	N	98.8	Very high	98.8	Very high	21 Å²	21	33 Å²	33	11%	0.112	20%	0.195	C	C	.	.	S	Bend	trans	-94.1	7.9	-179.1	76.3	-24.9	0	0	0	114.2	Y262 F263 A264 F294 A295 Q298 F301	N260-Y262 PolarHBondContact O-N 3.4Å; N260-F263 HydrophobicContact CB-CD2 4.26Å; N260-F263 PolarHBondContact O-N 3.32Å; N260-A264 PolarHBondContact O-N 2.95Å; N260-F294 PolarHBondContact ND2-O 3.37Å; N260-A295 PolarHBondContact ND2-O 3.37Å; N260-Q298 HydrophobicContact CB-CB 4.1Å; N260-Q298 HydrophobicContact CB-CG 4.19Å; N260-Q298 PolarHBondContact ND2-N 3.05Å; N260-Q298 PolarHBondContact OD1-OE1 3.35Å; N260-F301 HydrophobicContact CB-CB 4.48Å; N260-F301 HydrophobicContact CB-CD1 3.89Å
261	N	98.9	Very high	98.8	Very high	47 Å²	47	32.1 Å²	32.1	25%	0.251	19%	0.192	S	C	.	.	H	α-helix	trans	-61.4	-29.7	-179.7	-72.9	-63.8	0	0	0	111.9	T254 D259 F263 A264 N265	T254-N261 WeakPolarHBondContact OG1-CB 3.49Å; T254-N261 PolarHBondContact OG1-ND2 3.3Å; D259-N261 WeakPolarHBondContact OD1-CB 3.22Å; D259-N261 PolarHBondContact OD1-N 2.78Å; D259-N261 PolarHBondContact OD1-ND2 2.95Å; D259-N261 PolarHBondContact OD2-ND2 3.2Å; N261-F263 VanDerWaalsContact C-N 3.25Å; N261-F263 PolarHBondContact O-N 2.81Å; N261-A264 PolarHBondContact O-N 3.38Å; N261-A264 VanDerWaalsContact O-N 3.1Å; N261-N265 PolarHBondContact O-N 3.21Å; N261-N265 PolarHBondContact O-ND2 3.31Å; N261-N265 PolarHBondContact O-OD1 3.26Å
262	Y	98.9	Very high	98.8	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-46	-50.2	168.8	169.7	-102.9	0	0	0	112.2	S196 H199 N260 N265 L266 D276 L279	S196-Y262 WeakPolarHBondContact O-CE1 3.19Å; H199-Y262 HydrophobicContact CB-CD2 3.73Å; H199-Y262 HydrophobicContact CB-CE2 3.58Å; N260-Y262 PolarHBondContact O-N 3.4Å; Y262-N265 WeakPolarHBondContact O-CB 3.16Å; Y262-N265 PolarHBondContact O-N 3.44Å; Y262-L266 HydrophobicContact CE1-CD1 3.92Å; Y262-L266 HydrophobicContact CE2-CD2 4.2Å; Y262-L266 WeakPolarHBondContact O-CG 3.28Å; Y262-L266 PolarHBondContact O-N 2.97Å; Y262-D276 HydrophobicContact CE2-CB 4Å; Y262-D276 PolarHBondContact OH-OD1 3.14Å; Y262-L279 HydrophobicContact CE1-CD1 4.45Å; Y262-L279 WeakPolarHBondContact OH-CD1 3.44Å
263	F	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-72.9	-34.5	-177.8	-59.1	-76.9	0	0	0	112.3	V193 N260 N261 N265 L266 Q267 V291 F294 A295 F301	V193-F263 HydrophobicContact CG1-CE1 3.88Å; V193-F263 WeakPolarHBondContact O-CE1 3.31Å; V193-F263 WeakPolarHBondContact O-CZ 3.28Å; N260-F263 HydrophobicContact CB-CD2 4.26Å; N260-F263 PolarHBondContact O-N 3.32Å; N261-F263 VanDerWaalsContact C-N 3.25Å; N261-F263 PolarHBondContact O-N 2.81Å; F263-N265 VanDerWaalsContact C-N 3.32Å; F263-L266 PolarHBondContact O-N 3.48Å; F263-Q267 PolarHBondContact O-N 3.26Å; F263-V291 HydrophobicContact CB-CG1 4.28Å; F263-V291 HydrophobicContact CD1-CB 4.41Å; F263-V291 HydrophobicContact CD1-CG1 4.21Å; F263-V291 HydrophobicContact CD1-CG2 4.24Å; F263-F294 HydrophobicContact CB-CB 4.35Å; F263-F294 HydrophobicContact CD1-CB 4.04Å; F263-F294 HydrophobicContact CD1-CD2 4.23Å; F263-F294 HydrophobicContact CD2-CB 3.67Å; F263-F294 HydrophobicContact CE1-CB 4.26Å; F263-F294 AromaticContact CE1-CD2 3.67Å; F263-F294 HydrophobicContact CE1-CD2 3.67Å; F263-F294 HydrophobicContact CE1-CG 4.48Å; F263-F294 HydrophobicContact CE2-CB 3.93Å; F263-F294 HydrophobicContact CE2-CD2 4.08Å; F263-F294 HydrophobicContact CE2-CG 4.39Å; F263-F294 HydrophobicContact CG-CB 3.74Å; F263-F294 HydrophobicContact CZ-CB 4.2Å; F263-F294 AromaticContact CZ-CD2 3.58Å; F263-F294 HydrophobicContact CZ-CD2 3.58Å; F263-F294 HydrophobicContact CZ-CE2 4.41Å; F263-F294 HydrophobicContact CZ-CG 4.31Å; F263-A295 HydrophobicContact CB-CB 3.8Å; F263-F301 HydrophobicContact CD2-CD1 4.42Å; F263-F301 HydrophobicContact CD2-CD2 4.36Å; F263-F301 HydrophobicContact CD2-CG 4.26Å; F263-F301 HydrophobicContact CE2-CB 4.44Å; F263-F301 AromaticContact CE2-CD1 3.89Å; F263-F301 HydrophobicContact CE2-CD1 3.89Å; F263-F301 AromaticContact CE2-CD2 3.31Å; F263-F301 HydrophobicContact CE2-CD2 3.31Å; F263-F301 AromaticContact CE2-CE1 3.96Å; F263-F301 HydrophobicContact CE2-CE1 3.96Å; F263-F301 AromaticContact CE2-CE2 3.4Å; F263-F301 HydrophobicContact CE2-CE2 3.4Å; F263-F301 AromaticContact CE2-CG 3.59Å; F263-F301 HydrophobicContact CE2-CG 3.59Å; F263-F301 AromaticContact CE2-CZ 3.73Å; F263-F301 HydrophobicContact CE2-CZ 3.73Å; F263-F301 AromaticContact CZ-CD2 3.72Å; F263-F301 HydrophobicContact CZ-CD2 3.72Å; F263-F301 AromaticContact CZ-CE2 3.67Å; F263-F301 HydrophobicContact CZ-CE2 3.67Å; F263-F301 HydrophobicContact CZ-CG 4.42Å; F263-F301 HydrophobicContact CZ-CZ 4.32Å
264	A	98.9	Very high	98.9	Very high	30 Å²	30	27 Å²	27	25%	0.248	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-37.9	174.6	0	0	0	0	0	111.7	N260 N261 L266 Q267 S268	N260-A264 PolarHBondContact O-N 2.95Å; N261-A264 PolarHBondContact O-N 3.38Å; N261-A264 VanDerWaalsContact O-N 3.1Å; A264-L266 VanDerWaalsContact C-N 3.32Å; A264-L266 PolarHBondContact O-N 2.89Å; A264-Q267 WeakPolarHBondContact O-CB 3.45Å; A264-Q267 PolarHBondContact O-N 3.43Å; A264-S268 PolarHBondContact O-N 3.24Å
265	N	98.9	Very high	98.9	Very high	10 Å²	10	25.8 Å²	25.8	5%	0.053	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-41.2	175	-62.2	-18.8	0	0	0	111.4	D251 L252 S253 N261 Y262 F263 Q267 S268 N269 D270	D251-N265 PolarHBondContact OD1-ND2 3.08Å; L252-N265 HydrophobicContact CD2-CB 4.34Å; S253-N265 PolarHBondContact OG-OD1 2.99Å; N261-N265 PolarHBondContact O-N 3.21Å; N261-N265 PolarHBondContact O-ND2 3.31Å; N261-N265 PolarHBondContact O-OD1 3.26Å; Y262-N265 WeakPolarHBondContact O-CB 3.16Å; Y262-N265 PolarHBondContact O-N 3.44Å; F263-N265 VanDerWaalsContact C-N 3.32Å; N265-Q267 PolarHBondContact O-N 3.44Å; N265-S268 CarbonylContact O-C 3.57Å; N265-S268 WeakPolarHBondContact O-CA 3.47Å; N265-S268 PolarHBondContact O-N 3.29Å; N265-N269 PolarHBondContact O-N 3.1Å; N265-D270 HydrophobicContact CB-CB 3.98Å; N265-D270 PolarHBondContact O-N 3.17Å
266	L	98.9	Very high	98.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.2	-35.6	179.1	-51.9	-171.8	0	0	0	111.9	Y262 F263 A264 S268 N269 D276 Q277 L279 F280 V291	Y262-L266 HydrophobicContact CE1-CD1 3.92Å; Y262-L266 HydrophobicContact CE2-CD2 4.2Å; Y262-L266 WeakPolarHBondContact O-CG 3.28Å; Y262-L266 PolarHBondContact O-N 2.97Å; F263-L266 PolarHBondContact O-N 3.48Å; A264-L266 VanDerWaalsContact C-N 3.32Å; A264-L266 PolarHBondContact O-N 2.89Å; L266-S268 PolarHBondContact O-N 3.4Å; L266-N269 PolarHBondContact O-N 3.5Å; L266-D276 WeakPolarHBondContact CD1-O 3.48Å; L266-D276 HydrophobicContact CD2-CB 3.99Å; L266-Q277 PolarHBondContact O-NE2 2.93Å; L266-L279 HydrophobicContact CD1-CB 4.17Å; L266-L279 HydrophobicContact CD1-CD1 4.24Å; L266-F280 HydrophobicContact CB-CB 3.84Å; L266-F280 HydrophobicContact CB-CG 4.38Å; L266-F280 VanDerWaalsContact O-CD1 3.23Å; L266-F280 WeakPolarHBondContact O-CD1 3.34Å; L266-V291 HydrophobicContact CB-CG1 4.16Å; L266-V291 HydrophobicContact CD1-CG1 3.99Å; L266-V291 HydrophobicContact CD1-CG2 4.12Å
267	Q	98.8	Very high	98.9	Very high	76 Å²	76	21.2 Å²	21.2	36%	0.355	13%	0.126	S	C	.	.	H	α-helix	trans	-67.2	-22	176.6	-62.9	-178.6	-41	0	0	113.1	F263 A264 N265 F280 A295	F263-Q267 PolarHBondContact O-N 3.26Å; A264-Q267 WeakPolarHBondContact O-CB 3.45Å; A264-Q267 PolarHBondContact O-N 3.43Å; N265-Q267 PolarHBondContact O-N 3.44Å; Q267-F280 HydrophobicContact CB-CE1 4.38Å; Q267-F280 HydrophobicContact CB-CZ 4.24Å; Q267-F280 HydrophobicContact CG-CD2 4.33Å; Q267-F280 HydrophobicContact CG-CE1 4.43Å; Q267-F280 HydrophobicContact CG-CE2 3.86Å; Q267-F280 HydrophobicContact CG-CZ 3.91Å; Q267-A295 HydrophobicContact CG-CB 4.45Å
268	S	98.7	Very high	98.9	Very high	63 Å²	63	21 Å²	21	44%	0.441	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	12.9	178.9	-55.2	0	0	0	0	113.1	N227 A264 N265 L266 D270	N227-S268 PolarHBondContact ND2-O 3.24Å; N227-S268 VanDerWaalsContact ND2-O 3.09Å; A264-S268 PolarHBondContact O-N 3.24Å; N265-S268 CarbonylContact O-C 3.57Å; N265-S268 WeakPolarHBondContact O-CA 3.47Å; N265-S268 PolarHBondContact O-N 3.29Å; L266-S268 PolarHBondContact O-N 3.4Å; S268-D270 VanDerWaalsContact CB-OD2 3.31Å; S268-D270 WeakPolarHBondContact CB-OD2 3.17Å; S268-D270 PolarHBondContact O-N 2.78Å
269	N	98.9	Very high	98.9	Very high	56 Å²	56	21 Å²	21	30%	0.299	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	24	-176.1	-69.8	94.6	0	0	0	114.2	T225 N227 N265 L266 Q277	T225-N269 VanDerWaalsContact O-CB 3.31Å; T225-N269 WeakPolarHBondContact O-CB 3.27Å; T225-N269 PolarHBondContact O-ND2 3.05Å; N227-N269 HydrophobicContact CB-CB 4.16Å; N227-N269 WeakPolarHBondContact CB-O 3.44Å; N227-N269 PolarHBondContact N-O 2.93Å; N265-N269 PolarHBondContact O-N 3.1Å; L266-N269 PolarHBondContact O-N 3.5Å; N269-Q277 VanDerWaalsContact C-OE1 3.27Å
270	D	98.9	Very high	98.9	Very high	25 Å²	25	22.4 Å²	22.4	13%	0.134	12%	0.124	C	C	.	.			trans	-100.4	12.8	-176.4	-67.9	-50.3	0	0	0	113.3	N227 L230 L252 N265 S268 L272	N227-D270 WeakPolarHBondContact CB-OD1 3.04Å; L230-D270 HydrophobicContact CD2-CB 4.04Å; L230-D270 WeakPolarHBondContact CD2-O 3.03Å; L252-D270 HydrophobicContact CD2-CB 3.63Å; L252-D270 WeakPolarHBondContact CD2-O 3.47Å; N265-D270 HydrophobicContact CB-CB 3.98Å; N265-D270 PolarHBondContact O-N 3.17Å; S268-D270 VanDerWaalsContact CB-OD2 3.31Å; S268-D270 WeakPolarHBondContact CB-OD2 3.17Å; S268-D270 PolarHBondContact O-N 2.78Å; D270-L272 PolarHBondContact O-N 3.38Å
271	G	98.9	Very high	98.9	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.031	13%	0.132	C	C	.	.			trans	-64.9	126	170.7	0	0	0	0	0	111	R212	R212-G271 PolarHBondContact NH1-O 3.22Å
272	L	98.9	Very high	98.9	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.037	14%	0.135	C	C	.	.	S	Bend	trans	-70.8	-55.5	-172.8	179.2	64.7	0	0	0	112.5	A204 F209 R212 L234 T248 N249 L250 D270	A204-L272 HydrophobicContact CB-CD2 3.76Å; F209-L272 HydrophobicContact CD1-CD1 3.92Å; F209-L272 HydrophobicContact CD1-CD2 3.98Å; F209-L272 HydrophobicContact CD1-CG 3.91Å; F209-L272 HydrophobicContact CD2-CD1 4Å; F209-L272 HydrophobicContact CE1-CD1 4.02Å; F209-L272 HydrophobicContact CE1-CD2 3.98Å; F209-L272 HydrophobicContact CE1-CG 4.26Å; F209-L272 HydrophobicContact CE2-CD1 4.09Å; F209-L272 HydrophobicContact CG-CD1 3.91Å; F209-L272 HydrophobicContact CG-CG 4.17Å; F209-L272 HydrophobicContact CZ-CD1 4.11Å; R212-L272 PolarHBondContact NH1-O 3.3Å; L234-L272 HydrophobicContact CD1-CD1 3.61Å; L234-L272 HydrophobicContact CD2-CD1 3.95Å; L234-L272 HydrophobicContact CG-CD1 4.46Å; T248-L272 HydrophobicContact CG2-CD1 3.97Å; T248-L272 HydrophobicContact CG2-CD2 3.6Å; T248-L272 HydrophobicContact CG2-CG 4.47Å; N249-L272 WeakPolarHBondContact O-CD2 3.49Å; L250-L272 HydrophobicContact CD2-CD2 4.24Å; D270-L272 PolarHBondContact O-N 3.38Å
273	L	98.9	Very high	98.9	Very high	12 Å²	12	30 Å²	30	6%	0.063	18%	0.176	C	C	.	.	S	Bend	trans	-80.4	153.3	-178.2	-49.7	176.4	0	0	0	109.9	P171 A204 V208 F209 R212 L250 S275 D276 Q277	P171-L273 HydrophobicContact CB-CB 4.18Å; P171-L273 HydrophobicContact CB-CD1 4.15Å; P171-L273 HydrophobicContact CB-CD2 4.35Å; P171-L273 HydrophobicContact CB-CG 4.46Å; A204-L273 HydrophobicContact CB-CD2 4.07Å; V208-L273 HydrophobicContact CG2-CD2 3.83Å; F209-L273 HydrophobicContact CB-CD2 4.21Å; F209-L273 HydrophobicContact CD1-CD2 4.32Å; R212-L273 PolarHBondContact NH1-O 3.23Å; L250-L273 HydrophobicContact CD2-CD1 3.83Å; L250-L273 HydrophobicContact CD2-CD2 4.42Å; L250-L273 HydrophobicContact CD2-CG 3.97Å; L273-S275 VanDerWaalsContact C-N 3.28Å; L273-S275 PolarHBondContact O-N 2.95Å; L273-D276 HydrophobicContact CB-CB 4.38Å; L273-D276 VanDerWaalsContact CB-OD2 3.22Å; L273-D276 WeakPolarHBondContact CB-OD2 3.46Å; L273-D276 VanDerWaalsContact CG-OD2 3.28Å; L273-D276 WeakPolarHBondContact CG-OD2 3.43Å; L273-D276 PolarHBondContact N-OD2 3.44Å; L273-D276 WeakPolarHBondContact O-CB 3.18Å; L273-D276 PolarHBondContact O-N 3.28Å; L273-D276 VanDerWaalsContact O-N 3.11Å; L273-Q277 PolarHBondContact O-N 3.15Å
274	Q	98.9	Very high	98.8	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-45.7	174.5	170.4	-171.8	-25.2	0	0	109.7	P171 I172 N211 R212 F216 D276 Q277 E278	P171-Q274 WeakPolarHBondContact O-CB 3.32Å; I172-Q274 PolarHBondContact O-NE2 3.09Å; N211-Q274 PolarHBondContact ND2-OE1 3.33Å; R212-Q274 HydrophobicContact CG-CB 4.25Å; F216-Q274 HydrophobicContact CE2-CG 4.28Å; F216-Q274 HydrophobicContact CZ-CG 4.37Å; Q274-D276 PolarHBondContact O-N 3.21Å; Q274-Q277 PolarHBondContact O-N 3.19Å; Q274-E278 HydrophobicContact CG-CG 4.22Å; Q274-E278 VanDerWaalsContact CG-OE1 3.29Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.23Å; Q274-E278 PolarHBondContact NE2-OE1 3.28Å; Q274-E278 WeakPolarHBondContact O-CB 3.08Å; Q274-E278 WeakPolarHBondContact O-CG 3.23Å; Q274-E278 PolarHBondContact O-N 3.2Å
275	S	98.8	Very high	98.8	Very high	17 Å²	17	33.5 Å²	33.5	12%	0.119	21%	0.21	C	C	.	.	H	α-helix	trans	-55.4	-31.7	174.6	57.4	0	0	0	0	114.5	P171 I178 L273	P171-S275 PolarHBondContact O-N 2.87Å; I178-S275 VanDerWaalsContact CD1-CB 3.45Å; L273-S275 VanDerWaalsContact C-N 3.28Å; L273-S275 PolarHBondContact O-N 2.95Å
276	D	98.9	Very high	98.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-72.2	-52.4	178.6	-57.3	-24.5	0	0	0	109.5	H199 Y262 L266 L273 Q274 E278 L279	H199-D276 IonicContact CE1-OD1 3.92Å; H199-D276 PolarHBondContact CE1-OD1 3.37Å; H199-D276 IonicContact CG-OD1 3.35Å; H199-D276 IonicContact ND1-OD1 2.7Å; H199-D276 PolarHBondContact ND1-OD1 3.2Å; H199-D276 IonicContact ND1-OD2 2.74Å; Y262-D276 HydrophobicContact CE2-CB 4Å; Y262-D276 PolarHBondContact OH-OD1 3.14Å; L266-D276 WeakPolarHBondContact CD1-O 3.48Å; L266-D276 HydrophobicContact CD2-CB 3.99Å; L273-D276 HydrophobicContact CB-CB 4.38Å; L273-D276 VanDerWaalsContact CB-OD2 3.22Å; L273-D276 WeakPolarHBondContact CB-OD2 3.46Å; L273-D276 VanDerWaalsContact CG-OD2 3.28Å; L273-D276 WeakPolarHBondContact CG-OD2 3.43Å; L273-D276 PolarHBondContact N-OD2 3.44Å; L273-D276 WeakPolarHBondContact O-CB 3.18Å; L273-D276 PolarHBondContact O-N 3.28Å; L273-D276 VanDerWaalsContact O-N 3.11Å; Q274-D276 PolarHBondContact O-N 3.21Å; D276-E278 VanDerWaalsContact C-N 3.29Å; D276-E278 PolarHBondContact O-N 3.35Å; D276-L279 WeakPolarHBondContact O-CB 3.35Å; D276-L279 WeakPolarHBondContact O-CG 3.47Å; D276-L279 PolarHBondContact O-N 2.95Å
277	Q	98.9	Very high	98.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-30.8	-175.3	-165.9	58.4	55.2	0	0	112.2	T225 L266 N269 L273 Q274 L279 F280 S281	T225-Q277 WeakPolarHBondContact O-CG 3.37Å; L266-Q277 PolarHBondContact O-NE2 2.93Å; N269-Q277 VanDerWaalsContact C-OE1 3.27Å; L273-Q277 PolarHBondContact O-N 3.15Å; Q274-Q277 PolarHBondContact O-N 3.19Å; Q277-L279 PolarHBondContact O-N 3.14Å; Q277-F280 PolarHBondContact O-N 3.42Å; Q277-F280 VanDerWaalsContact O-N 3.08Å; Q277-S281 PolarHBondContact NE2-OG 3.19Å; Q277-S281 WeakPolarHBondContact O-CB 3.4Å; Q277-S281 PolarHBondContact O-N 3.47Å; Q277-S281 PolarHBondContact O-OG 3.37Å
278	E	98.8	Very high	98.8	Very high	32 Å²	32	35.6 Å²	35.6	15%	0.15	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-25.1	176.3	-79.6	-176.9	-173.2	0	0	113.3	S174 L175 Q274 D276 F280 T282	S174-E278 VanDerWaalsContact C-OE2 3.31Å; S174-E278 VanDerWaalsContact CA-OE2 3.31Å; S174-E278 WeakPolarHBondContact CA-OE2 3.43Å; L175-E278 HydrophobicContact CB-CB 4.4Å; L175-E278 PolarHBondContact N-OE2 3.27Å; Q274-E278 HydrophobicContact CG-CG 4.22Å; Q274-E278 VanDerWaalsContact CG-OE1 3.29Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.23Å; Q274-E278 PolarHBondContact NE2-OE1 3.28Å; Q274-E278 WeakPolarHBondContact O-CB 3.08Å; Q274-E278 WeakPolarHBondContact O-CG 3.23Å; Q274-E278 PolarHBondContact O-N 3.2Å; D276-E278 VanDerWaalsContact C-N 3.29Å; D276-E278 PolarHBondContact O-N 3.35Å; E278-F280 PolarHBondContact O-N 3.27Å; E278-T282 WeakPolarHBondContact O-CB 3.38Å; E278-T282 PolarHBondContact O-N 2.92Å; E278-T282 PolarHBondContact O-OG1 3.02Å
279	L	98.9	Very high	98.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-29.4	174.6	-59.8	176.4	0	0	0	112.5	L175 L192 V193 Y262 L266 D276 Q277 T287 I288 V291	L175-L279 HydrophobicContact CD1-CD2 3.72Å; L192-L279 HydrophobicContact CD1-CD2 3.7Å; L192-L279 HydrophobicContact CD2-CD2 4.09Å; V193-L279 HydrophobicContact CG2-CD2 4.33Å; Y262-L279 HydrophobicContact CE1-CD1 4.45Å; Y262-L279 WeakPolarHBondContact OH-CD1 3.44Å; L266-L279 HydrophobicContact CD1-CB 4.17Å; L266-L279 HydrophobicContact CD1-CD1 4.24Å; D276-L279 WeakPolarHBondContact O-CB 3.35Å; D276-L279 WeakPolarHBondContact O-CG 3.47Å; D276-L279 PolarHBondContact O-N 2.95Å; Q277-L279 PolarHBondContact O-N 3.14Å; L279-T287 HydrophobicContact CD2-CG2 4.35Å; L279-T287 CarbonylContact O-C 3.51Å; L279-T287 VanDerWaalsContact O-CB 3.28Å; L279-T287 WeakPolarHBondContact O-CB 3.37Å; L279-T287 PolarHBondContact O-OG1 3.33Å; L279-I288 PolarHBondContact O-N 2.87Å; L279-V291 HydrophobicContact CB-CG2 3.87Å
280	F	98.9	Very high	98.8	Very high	48 Å²	48	34.5 Å²	34.5	21%	0.211	23%	0.228	C	C	.	.	H	α-helix	trans	-109.3	-29.4	-178.8	-169.4	-104.1	0	0	0	113.3	L266 Q267 Q277 E278 I288 V291	L266-F280 HydrophobicContact CB-CB 3.84Å; L266-F280 HydrophobicContact CB-CG 4.38Å; L266-F280 VanDerWaalsContact O-CD1 3.23Å; L266-F280 WeakPolarHBondContact O-CD1 3.34Å; Q267-F280 HydrophobicContact CB-CE1 4.38Å; Q267-F280 HydrophobicContact CB-CZ 4.24Å; Q267-F280 HydrophobicContact CG-CD2 4.33Å; Q267-F280 HydrophobicContact CG-CE1 4.43Å; Q267-F280 HydrophobicContact CG-CE2 3.86Å; Q267-F280 HydrophobicContact CG-CZ 3.91Å; Q277-F280 PolarHBondContact O-N 3.42Å; Q277-F280 VanDerWaalsContact O-N 3.08Å; E278-F280 PolarHBondContact O-N 3.27Å; F280-I288 HydrophobicContact CD2-CG2 4.05Å; F280-I288 HydrophobicContact CE2-CG2 3.9Å; F280-I288 WeakPolarHBondContact O-CG1 3.4Å; F280-V291 HydrophobicContact CB-CG1 4.29Å; F280-V291 HydrophobicContact CD2-CB 4.19Å; F280-V291 HydrophobicContact CD2-CG1 3.7Å; F280-V291 HydrophobicContact CG-CG1 4.34Å
281	S	98.8	Very high	98.8	Very high	39 Å²	39	33.3 Å²	33.3	27%	0.273	22%	0.222	S	C	.	.	H	α-helix	trans	-98.2	-3.6	-172.9	-61.6	0	0	0	0	114.6	Q277 T283	Q277-S281 PolarHBondContact NE2-OG 3.19Å; Q277-S281 WeakPolarHBondContact O-CB 3.4Å; Q277-S281 PolarHBondContact O-N 3.47Å; Q277-S281 PolarHBondContact O-OG 3.37Å; S281-T283 PolarHBondContact O-N 2.88Å
282	T	98.7	Very high	98.8	Very high	50 Å²	50	35.8 Å²	35.8	31%	0.307	24%	0.236	S	C	.	.	S	Bend	trans	-78.1	103.1	174.3	-60.2	0	0	0	0	110.8	L175 E278 G284 S285 I288	L175-T282 HydrophobicContact CD2-CG2 4.22Å; E278-T282 WeakPolarHBondContact O-CB 3.38Å; E278-T282 PolarHBondContact O-N 2.92Å; E278-T282 PolarHBondContact O-OG1 3.02Å; T282-G284 PolarHBondContact O-N 3.2Å; T282-S285 WeakPolarHBondContact O-CB 3.31Å; T282-S285 PolarHBondContact O-N 2.83Å; T282-I288 WeakPolarHBondContact O-CD1 3.47Å
283	T	98.6	Very high	98.8	Very high	143 Å²	143	37.7 Å²	37.7	88%	0.877	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	127.9	-178.6	-57.9	0	0	0	0	113	S281 S285	S281-T283 PolarHBondContact O-N 2.88Å; T283-S285 PolarHBondContact O-N 2.8Å
284	G	98.3	Very high	98.8	Very high	77 Å²	77	37.6 Å²	37.6	79%	0.794	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	1.8	177.6	0	0	0	0	0	114.9	T282	T282-G284 PolarHBondContact O-N 3.2Å
285	S	98.4	Very high	98.8	Very high	26 Å²	26	37.5 Å²	37.5	18%	0.182	25%	0.252	C	S	.	.			trans	-68.7	139.6	176.3	-176.2	0	0	0	0	112	L175 T282 T283 T287 I288	L175-S285 WeakPolarHBondContact CD2-OG 3.48Å; T282-S285 WeakPolarHBondContact O-CB 3.31Å; T282-S285 PolarHBondContact O-N 2.83Å; T283-S285 PolarHBondContact O-N 2.8Å; S285-T287 WeakPolarHBondContact CB-OG1 3.49Å; S285-T287 PolarHBondContact O-N 2.88Å; S285-T287 PolarHBondContact OG-N 3.46Å; S285-T287 PolarHBondContact OG-OG1 3.19Å; S285-I288 PolarHBondContact O-N 3.22Å
286	S	98.4	Very high	98.8	Very high	78 Å²	78	41.3 Å²	41.3	55%	0.545	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.1	171.6	55.4	0	0	0	0	112.8	I288 A289	S286-I288 PolarHBondContact O-N 2.71Å; S286-A289 PolarHBondContact O-N 3.11Å
287	T	98.9	Very high	98.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-29	178.6	56.5	0	0	0	0	112.9	L175 T189 L192 V193 L279 S285 A289 I290 V291	L175-T287 HydrophobicContact CD1-CG2 4.34Å; L175-T287 HydrophobicContact CD2-CG2 4.12Å; T189-T287 HydrophobicContact CG2-CG2 3.63Å; L192-T287 HydrophobicContact CD1-CG2 4.32Å; V193-T287 HydrophobicContact CG2-CG2 3.6Å; L279-T287 HydrophobicContact CD2-CG2 4.35Å; L279-T287 CarbonylContact O-C 3.51Å; L279-T287 VanDerWaalsContact O-CB 3.28Å; L279-T287 WeakPolarHBondContact O-CB 3.37Å; L279-T287 PolarHBondContact O-OG1 3.33Å; S285-T287 WeakPolarHBondContact CB-OG1 3.49Å; S285-T287 PolarHBondContact O-N 2.88Å; S285-T287 PolarHBondContact OG-N 3.46Å; S285-T287 PolarHBondContact OG-OG1 3.19Å; T287-A289 VanDerWaalsContact C-N 3.33Å; T287-A289 PolarHBondContact O-N 3.19Å; T287-I290 PolarHBondContact O-N 3.44Å; T287-I290 VanDerWaalsContact O-N 3.15Å; T287-V291 WeakPolarHBondContact O-CG2 3.36Å; T287-V291 PolarHBondContact O-N 3Å
288	I	98.9	Very high	98.8	Very high	50 Å²	50	48.2 Å²	48.2	26%	0.256	31%	0.313	S	S	.	.	H	α-helix	trans	-58.8	-44.5	-178.4	-60.5	176	0	0	0	111.2	L279 F280 T282 S285 S286 I290 T292	L279-I288 PolarHBondContact O-N 2.87Å; F280-I288 HydrophobicContact CD2-CG2 4.05Å; F280-I288 HydrophobicContact CE2-CG2 3.9Å; F280-I288 WeakPolarHBondContact O-CG1 3.4Å; T282-I288 WeakPolarHBondContact O-CD1 3.47Å; S285-I288 PolarHBondContact O-N 3.22Å; S286-I288 PolarHBondContact O-N 2.71Å; I288-I290 VanDerWaalsContact C-N 3.33Å; I288-T292 WeakPolarHBondContact O-CB 3.34Å; I288-T292 PolarHBondContact O-N 3.02Å; I288-T292 PolarHBondContact O-OG1 3.21Å
289	A	98.8	Very high	98.8	Very high	69 Å²	69	50.9 Å²	50.9	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-66.7	-38	-179.9	0	0	0	0	0	111.5	S286 T287 T292 S293	S286-A289 PolarHBondContact O-N 3.11Å; T287-A289 VanDerWaalsContact C-N 3.33Å; T287-A289 PolarHBondContact O-N 3.19Å; A289-T292 PolarHBondContact O-N 3.49Å; A289-S293 WeakPolarHBondContact O-CB 3.28Å; A289-S293 PolarHBondContact O-N 3.36Å
290	I	98.9	Very high	98.8	Very high	27 Å²	27	54 Å²	54	14%	0.138	35%	0.347	C	S	.	.	H	α-helix	trans	-68	-48.4	178.7	-53.4	167.9	0	0	0	110.1	T189 N190 V193 T287 I288 T292 S293 F294	T189-I290 HydrophobicContact CG2-CD1 4.27Å; N190-I290 VanDerWaalsContact OD1-CD1 3.23Å; N190-I290 WeakPolarHBondContact OD1-CD1 3.47Å; V193-I290 HydrophobicContact CB-CB 4.31Å; V193-I290 HydrophobicContact CB-CG2 3.82Å; V193-I290 HydrophobicContact CG1-CB 4Å; V193-I290 HydrophobicContact CG1-CG2 3.58Å; V193-I290 HydrophobicContact CG2-CB 4.3Å; V193-I290 HydrophobicContact CG2-CD1 4.13Å; V193-I290 HydrophobicContact CG2-CG2 4.33Å; T287-I290 PolarHBondContact O-N 3.44Å; T287-I290 VanDerWaalsContact O-N 3.15Å; I288-I290 VanDerWaalsContact C-N 3.33Å; I290-T292 VanDerWaalsContact C-N 3.31Å; I290-T292 PolarHBondContact O-N 3.22Å; I290-S293 WeakPolarHBondContact O-CB 3.3Å; I290-S293 PolarHBondContact O-N 3.43Å; I290-S293 VanDerWaalsContact O-N 3.14Å; I290-F294 HydrophobicContact CG2-CD2 3.94Å; I290-F294 HydrophobicContact CG2-CE1 4.28Å; I290-F294 HydrophobicContact CG2-CE2 3.42Å; I290-F294 VanDerWaalsContact CG2-CE2 3.42Å; I290-F294 HydrophobicContact CG2-CZ 3.6Å; I290-F294 WeakPolarHBondContact O-CG 3.37Å; I290-F294 PolarHBondContact O-N 2.7Å
291	V	98.9	Very high	98.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-55.2	-47.4	174.7	168.7	0	0	0	0	110.6	V193 F263 L266 L279 F280 T287 S293 F294 A295	V193-V291 HydrophobicContact CG1-CG2 3.78Å; F263-V291 HydrophobicContact CB-CG1 4.28Å; F263-V291 HydrophobicContact CD1-CB 4.41Å; F263-V291 HydrophobicContact CD1-CG1 4.21Å; F263-V291 HydrophobicContact CD1-CG2 4.24Å; L266-V291 HydrophobicContact CB-CG1 4.16Å; L266-V291 HydrophobicContact CD1-CG1 3.99Å; L266-V291 HydrophobicContact CD1-CG2 4.12Å; L279-V291 HydrophobicContact CB-CG2 3.87Å; F280-V291 HydrophobicContact CB-CG1 4.29Å; F280-V291 HydrophobicContact CD2-CB 4.19Å; F280-V291 HydrophobicContact CD2-CG1 3.7Å; F280-V291 HydrophobicContact CG-CG1 4.34Å; T287-V291 WeakPolarHBondContact O-CG2 3.36Å; T287-V291 PolarHBondContact O-N 3Å; V291-S293 VanDerWaalsContact C-N 3.31Å; V291-S293 PolarHBondContact O-N 3.11Å; V291-F294 PolarHBondContact O-N 3.17Å; V291-A295 WeakPolarHBondContact O-CB 3.34Å; V291-A295 PolarHBondContact O-N 2.86Å
292	T	98.9	Very high	98.8	Very high	56 Å²	56	51.3 Å²	51.3	34%	0.344	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-41.4	178.9	-58.7	0	0	0	0	111.8	I288 A289 I290 S296	I288-T292 WeakPolarHBondContact O-CB 3.34Å; I288-T292 PolarHBondContact O-N 3.02Å; I288-T292 PolarHBondContact O-OG1 3.21Å; A289-T292 PolarHBondContact O-N 3.49Å; I290-T292 VanDerWaalsContact C-N 3.31Å; I290-T292 PolarHBondContact O-N 3.22Å; T292-S296 WeakPolarHBondContact O-CB 3.05Å; T292-S296 PolarHBondContact O-N 3.35Å; T292-S296 PolarHBondContact O-OG 3.1Å
293	S	98.9	Very high	98.8	Very high	47 Å²	47	54.9 Å²	54.9	33%	0.329	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-48	177.3	-158.9	0	0	0	0	111.5	A289 I290 V291 S296 N297 L300	A289-S293 WeakPolarHBondContact O-CB 3.28Å; A289-S293 PolarHBondContact O-N 3.36Å; I290-S293 WeakPolarHBondContact O-CB 3.3Å; I290-S293 PolarHBondContact O-N 3.43Å; I290-S293 VanDerWaalsContact O-N 3.14Å; V291-S293 VanDerWaalsContact C-N 3.31Å; V291-S293 PolarHBondContact O-N 3.11Å; S293-S296 PolarHBondContact O-N 2.78Å; S293-S296 PolarHBondContact O-OG 3.22Å; S293-N297 PolarHBondContact O-N 3Å; S293-L300 WeakPolarHBondContact OG-CD2 3.29Å
294	F	98.9	Very high	98.8	Very high	9 Å²	9	49.3 Å²	49.3	4%	0.039	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-40.2	178.3	-67.6	-16.4	0	0	0	113.1	V193 A194 N260 F263 I290 V291 S296 N297 L300 F301 A304	V193-F294 HydrophobicContact CB-CE2 4.44Å; V193-F294 HydrophobicContact CG1-CD2 3.99Å; V193-F294 HydrophobicContact CG1-CE2 3.95Å; A194-F294 HydrophobicContact CB-CE2 4.04Å; A194-F294 HydrophobicContact CB-CZ 4.31Å; N260-F294 PolarHBondContact ND2-O 3.37Å; F263-F294 HydrophobicContact CB-CB 4.35Å; F263-F294 HydrophobicContact CD1-CB 4.04Å; F263-F294 HydrophobicContact CD1-CD2 4.23Å; F263-F294 HydrophobicContact CD2-CB 3.67Å; F263-F294 HydrophobicContact CE1-CB 4.26Å; F263-F294 AromaticContact CE1-CD2 3.67Å; F263-F294 HydrophobicContact CE1-CD2 3.67Å; F263-F294 HydrophobicContact CE1-CG 4.48Å; F263-F294 HydrophobicContact CE2-CB 3.93Å; F263-F294 HydrophobicContact CE2-CD2 4.08Å; F263-F294 HydrophobicContact CE2-CG 4.39Å; F263-F294 HydrophobicContact CG-CB 3.74Å; F263-F294 HydrophobicContact CZ-CB 4.2Å; F263-F294 AromaticContact CZ-CD2 3.58Å; F263-F294 HydrophobicContact CZ-CD2 3.58Å; F263-F294 HydrophobicContact CZ-CE2 4.41Å; F263-F294 HydrophobicContact CZ-CG 4.31Å; I290-F294 HydrophobicContact CG2-CD2 3.94Å; I290-F294 HydrophobicContact CG2-CE1 4.28Å; I290-F294 HydrophobicContact CG2-CE2 3.42Å; I290-F294 VanDerWaalsContact CG2-CE2 3.42Å; I290-F294 HydrophobicContact CG2-CZ 3.6Å; I290-F294 WeakPolarHBondContact O-CG 3.37Å; I290-F294 PolarHBondContact O-N 2.7Å; V291-F294 PolarHBondContact O-N 3.17Å; F294-S296 VanDerWaalsContact C-N 3.28Å; F294-S296 PolarHBondContact O-N 2.84Å; F294-N297 CarbonylContact O-C 3.11Å; F294-N297 PolarHBondContact O-N 3.37Å; F294-L300 HydrophobicContact CD1-CD2 3.85Å; F294-L300 HydrophobicContact CD1-CG 4.27Å; F294-L300 HydrophobicContact CE1-CD2 3.89Å; F294-L300 HydrophobicContact CE1-CG 4.13Å; F294-F301 HydrophobicContact CB-CB 3.89Å; F294-F301 HydrophobicContact CB-CG 4.47Å; F294-F301 HydrophobicContact CD1-CB 3.94Å; F294-F301 HydrophobicContact CD2-CD2 4.16Å; F294-F301 HydrophobicContact CG-CB 3.91Å; F294-F301 HydrophobicContact CG-CD2 4.29Å; F294-F301 HydrophobicContact CG-CG 4.48Å; F294-A304 HydrophobicContact CE1-CB 3.68Å; F294-A304 HydrophobicContact CE2-CB 4.38Å; F294-A304 HydrophobicContact CZ-CB 3.4Å; F294-A304 VanDerWaalsContact CZ-CB 3.4Å
295	A	98.9	Very high	98.8	Very high	16 Å²	16	45.7 Å²	45.7	13%	0.132	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-37.8	173.6	0	0	0	0	0	112	N260 F263 Q267 V291	N260-A295 PolarHBondContact ND2-O 3.37Å; F263-A295 HydrophobicContact CB-CB 3.8Å; Q267-A295 HydrophobicContact CG-CB 4.45Å; V291-A295 WeakPolarHBondContact O-CB 3.34Å; V291-A295 PolarHBondContact O-N 2.86Å
296	S	98.8	Very high	98.9	Very high	96 Å²	96	45.1 Å²	45.1	67%	0.671	27%	0.272	S	S	*	.	H	α-helix	trans	-79.4	-22.2	179.7	73.4	0	0	0	0	114.6	T292 S293 F294	T292-S296 WeakPolarHBondContact O-CB 3.05Å; T292-S296 PolarHBondContact O-N 3.35Å; T292-S296 PolarHBondContact O-OG 3.1Å; S293-S296 PolarHBondContact O-N 2.78Å; S293-S296 PolarHBondContact O-OG 3.22Å; F294-S296 VanDerWaalsContact C-N 3.28Å; F294-S296 PolarHBondContact O-N 2.84Å
297	N	98.8	Very high	98.9	Very high	74 Å²	74	46.3 Å²	46.3	40%	0.396	27%	0.269	S	S	.	.			trans	-146.6	98.6	-172.8	-170.5	-30.6	0	0	0	111.8	S293 F294 T299 L300 F301	S293-N297 PolarHBondContact O-N 3Å; F294-N297 CarbonylContact O-C 3.11Å; F294-N297 PolarHBondContact O-N 3.37Å; N297-T299 VanDerWaalsContact C-N 3.27Å; N297-T299 PolarHBondContact O-N 3.42Å; N297-T299 WeakPolarHBondContact OD1-CA 3.39Å; N297-T299 WeakPolarHBondContact OD1-CB 3.25Å; N297-T299 PolarHBondContact OD1-N 3.15Å; N297-L300 HydrophobicContact CB-CB 4.04Å; N297-L300 WeakPolarHBondContact O-CB 3.39Å; N297-L300 PolarHBondContact O-N 2.62Å; N297-L300 PolarHBondContact OD1-N 3.43Å; N297-F301 PolarHBondContact O-N 3.14Å; N297-F301 VanDerWaalsContact O-N 3.15Å
298	Q	98.8	Very high	98.9	Very high	74 Å²	74	46.5 Å²	46.5	35%	0.346	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-33.9	177.4	-176.2	169.5	-58.3	0	0	113.1	N260 L300 F301 F302	N260-Q298 HydrophobicContact CB-CB 4.1Å; N260-Q298 HydrophobicContact CB-CG 4.19Å; N260-Q298 PolarHBondContact ND2-N 3.05Å; N260-Q298 PolarHBondContact OD1-OE1 3.35Å; Q298-L300 VanDerWaalsContact C-N 3.33Å; Q298-L300 PolarHBondContact O-N 2.68Å; Q298-F301 PolarHBondContact O-N 2.82Å; Q298-F302 HydrophobicContact CG-CD1 3.85Å; Q298-F302 HydrophobicContact CG-CD2 4.25Å; Q298-F302 HydrophobicContact CG-CE1 3.54Å; Q298-F302 HydrophobicContact CG-CE2 3.97Å; Q298-F302 HydrophobicContact CG-CG 4.2Å; Q298-F302 HydrophobicContact CG-CZ 3.6Å; Q298-F302 WeakPolarHBondContact O-CB 3.34Å; Q298-F302 WeakPolarHBondContact O-CD1 3.44Å; Q298-F302 WeakPolarHBondContact O-CG 3.45Å; Q298-F302 PolarHBondContact O-N 2.8Å
299	T	98.9	Very high	98.9	Very high	88 Å²	88	44.4 Å²	44.4	54%	0.54	26%	0.26	S	S	.	.	H	α-helix	trans	-63.7	-41.3	177.1	-57.2	0	0	0	0	111.4	N297 F302 Q303	N297-T299 VanDerWaalsContact C-N 3.27Å; N297-T299 PolarHBondContact O-N 3.42Å; N297-T299 WeakPolarHBondContact OD1-CA 3.39Å; N297-T299 WeakPolarHBondContact OD1-CB 3.25Å; N297-T299 PolarHBondContact OD1-N 3.15Å; T299-F302 PolarHBondContact O-N 3.28Å; T299-Q303 VanDerWaalsContact O-CG 3.3Å; T299-Q303 WeakPolarHBondContact O-CG 3.46Å; T299-Q303 PolarHBondContact O-N 3.46Å
300	L	98.8	Very high	98.9	Very high	65 Å²	65	43 Å²	43	34%	0.34	24%	0.242	S	C	.	.	H	α-helix	trans	-63.6	-44.6	175.8	-168.5	89.5	0	0	0	111	S293 F294 N297 Q298 Q303 A304	S293-L300 WeakPolarHBondContact OG-CD2 3.29Å; F294-L300 HydrophobicContact CD1-CD2 3.85Å; F294-L300 HydrophobicContact CD1-CG 4.27Å; F294-L300 HydrophobicContact CE1-CD2 3.89Å; F294-L300 HydrophobicContact CE1-CG 4.13Å; N297-L300 HydrophobicContact CB-CB 4.04Å; N297-L300 WeakPolarHBondContact O-CB 3.39Å; N297-L300 PolarHBondContact O-N 2.62Å; N297-L300 PolarHBondContact OD1-N 3.43Å; Q298-L300 VanDerWaalsContact C-N 3.33Å; Q298-L300 PolarHBondContact O-N 2.68Å; L300-Q303 PolarHBondContact O-N 2.97Å; L300-A304 WeakPolarHBondContact O-CB 3.18Å; L300-A304 PolarHBondContact O-N 2.96Å
301	F	98.9	Very high	98.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57	-51	174.2	166.9	-132.4	0	0	0	111.2	F258 D259 N260 F263 F294 N297 Q298 Q303 A304 F305	F258-F301 HydrophobicContact CD1-CE1 4.39Å; F258-F301 AromaticContact CE1-CE1 3.7Å; F258-F301 HydrophobicContact CE1-CE1 3.7Å; F258-F301 AromaticContact CE1-CZ 3.66Å; F258-F301 HydrophobicContact CE1-CZ 3.66Å; F258-F301 HydrophobicContact CZ-CE1 4.38Å; F258-F301 AromaticContact CZ-CZ 3.91Å; F258-F301 HydrophobicContact CZ-CZ 3.91Å; D259-F301 WeakPolarHBondContact O-CE1 3.47Å; N260-F301 HydrophobicContact CB-CB 4.48Å; N260-F301 HydrophobicContact CB-CD1 3.89Å; F263-F301 HydrophobicContact CD2-CD1 4.42Å; F263-F301 HydrophobicContact CD2-CD2 4.36Å; F263-F301 HydrophobicContact CD2-CG 4.26Å; F263-F301 HydrophobicContact CE2-CB 4.44Å; F263-F301 AromaticContact CE2-CD1 3.89Å; F263-F301 HydrophobicContact CE2-CD1 3.89Å; F263-F301 AromaticContact CE2-CD2 3.31Å; F263-F301 HydrophobicContact CE2-CD2 3.31Å; F263-F301 AromaticContact CE2-CE1 3.96Å; F263-F301 HydrophobicContact CE2-CE1 3.96Å; F263-F301 AromaticContact CE2-CE2 3.4Å; F263-F301 HydrophobicContact CE2-CE2 3.4Å; F263-F301 AromaticContact CE2-CG 3.59Å; F263-F301 HydrophobicContact CE2-CG 3.59Å; F263-F301 AromaticContact CE2-CZ 3.73Å; F263-F301 HydrophobicContact CE2-CZ 3.73Å; F263-F301 AromaticContact CZ-CD2 3.72Å; F263-F301 HydrophobicContact CZ-CD2 3.72Å; F263-F301 AromaticContact CZ-CE2 3.67Å; F263-F301 HydrophobicContact CZ-CE2 3.67Å; F263-F301 HydrophobicContact CZ-CG 4.42Å; F263-F301 HydrophobicContact CZ-CZ 4.32Å; F294-F301 HydrophobicContact CB-CB 3.89Å; F294-F301 HydrophobicContact CB-CG 4.47Å; F294-F301 HydrophobicContact CD1-CB 3.94Å; F294-F301 HydrophobicContact CD2-CD2 4.16Å; F294-F301 HydrophobicContact CG-CB 3.91Å; F294-F301 HydrophobicContact CG-CD2 4.29Å; F294-F301 HydrophobicContact CG-CG 4.48Å; N297-F301 PolarHBondContact O-N 3.14Å; N297-F301 VanDerWaalsContact O-N 3.15Å; Q298-F301 PolarHBondContact O-N 2.82Å; F301-Q303 VanDerWaalsContact C-N 3.32Å; F301-Q303 PolarHBondContact O-N 3.5Å; F301-A304 PolarHBondContact O-N 3.21Å; F301-A304 VanDerWaalsContact O-N 3.17Å; F301-F305 HydrophobicContact CD2-CB 4.26Å; F301-F305 HydrophobicContact CE2-CB 3.79Å; F301-F305 AromaticContact CE2-CD2 3.79Å; F301-F305 HydrophobicContact CE2-CD2 3.79Å; F301-F305 HydrophobicContact CE2-CG 4.12Å; F301-F305 HydrophobicContact CZ-CB 4.24Å; F301-F305 AromaticContact CZ-CD2 3.97Å; F301-F305 HydrophobicContact CZ-CD2 3.97Å; F301-F305 HydrophobicContact CZ-CG 4.26Å; F301-F305 WeakPolarHBondContact O-CB 3.3Å; F301-F305 PolarHBondContact O-N 3.32Å
302	F	98.9	Very high	98.9	Very high	32 Å²	32	44.2 Å²	44.2	14%	0.14	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-39.7	-177.3	-81.2	14.1	0	0	0	112.6	P145 F258 Q298 T299 A306	P145-F302 HydrophobicContact CB-CB 3.93Å; P145-F302 HydrophobicContact CB-CD2 4.18Å; P145-F302 HydrophobicContact CB-CG 4.14Å; P145-F302 HydrophobicContact CG-CB 3.98Å; P145-F302 HydrophobicContact CG-CD1 4.35Å; P145-F302 HydrophobicContact CG-CD2 4.38Å; P145-F302 HydrophobicContact CG-CG 4.01Å; F258-F302 HydrophobicContact CD1-CE1 4.01Å; F258-F302 HydrophobicContact CD1-CZ 4.45Å; F258-F302 HydrophobicContact CE1-CE1 4.24Å; F258-F302 VanDerWaalsContact O-CZ 3.31Å; F258-F302 WeakPolarHBondContact O-CZ 3.4Å; Q298-F302 HydrophobicContact CG-CD1 3.85Å; Q298-F302 HydrophobicContact CG-CD2 4.25Å; Q298-F302 HydrophobicContact CG-CE1 3.54Å; Q298-F302 HydrophobicContact CG-CE2 3.97Å; Q298-F302 HydrophobicContact CG-CG 4.2Å; Q298-F302 HydrophobicContact CG-CZ 3.6Å; Q298-F302 WeakPolarHBondContact O-CB 3.34Å; Q298-F302 WeakPolarHBondContact O-CD1 3.44Å; Q298-F302 WeakPolarHBondContact O-CG 3.45Å; Q298-F302 PolarHBondContact O-N 2.8Å; T299-F302 PolarHBondContact O-N 3.28Å; F302-A306 WeakPolarHBondContact O-CB 3.44Å; F302-A306 PolarHBondContact O-N 3.28Å
303	Q	98.9	Very high	98.9	Very high	125 Å²	125	41.7 Å²	41.7	58%	0.584	23%	0.233	S	C	*	.	H	α-helix	trans	-64.5	-47	174.5	-73.2	172.6	-5.7	0	0	111.9	T299 L300 F301 Q307	T299-Q303 VanDerWaalsContact O-CG 3.3Å; T299-Q303 WeakPolarHBondContact O-CG 3.46Å; T299-Q303 PolarHBondContact O-N 3.46Å; L300-Q303 PolarHBondContact O-N 2.97Å; F301-Q303 VanDerWaalsContact C-N 3.32Å; F301-Q303 PolarHBondContact O-N 3.5Å; Q303-Q307 PolarHBondContact O-N 3.24Å; Q303-Q307 VanDerWaalsContact O-N 3.12Å
304	A	98.9	Very high	98.8	Very high	26 Å²	26	42.6 Å²	42.6	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-43.3	178	0	0	0	0	0	111.5	A194 F294 L300 F301 Q307 S308	A194-A304 HydrophobicContact CB-CB 4.04Å; F294-A304 HydrophobicContact CE1-CB 3.68Å; F294-A304 HydrophobicContact CE2-CB 4.38Å; F294-A304 HydrophobicContact CZ-CB 3.4Å; F294-A304 VanDerWaalsContact CZ-CB 3.4Å; L300-A304 WeakPolarHBondContact O-CB 3.18Å; L300-A304 PolarHBondContact O-N 2.96Å; F301-A304 PolarHBondContact O-N 3.21Å; F301-A304 VanDerWaalsContact O-N 3.17Å; A304-Q307 PolarHBondContact O-N 2.72Å; A304-S308 WeakPolarHBondContact O-CB 3.3Å; A304-S308 PolarHBondContact O-N 2.7Å; A304-S308 PolarHBondContact O-OG 2.81Å; A304-S308 VanDerWaalsContact O-OG 3.1Å
305	F	99	Very high	98.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-49.4	178.3	-170.9	-92.9	0	0	0	112	I67 V139 P145 W147 A194 L195 A198 F258 F301 Q307 S308 M309	I67-F305 HydrophobicContact CD1-CE1 4.18Å; I67-F305 HydrophobicContact CD1-CZ 3.74Å; V139-F305 HydrophobicContact CG1-CE1 4.2Å; V139-F305 HydrophobicContact CG2-CE1 4.01Å; V139-F305 HydrophobicContact CG2-CZ 4.42Å; P145-F305 HydrophobicContact CG-CD1 4.27Å; W147-F305 HydrophobicContact CH2-CE1 4.09Å; W147-F305 HydrophobicContact CZ3-CD1 4.34Å; W147-F305 HydrophobicContact CZ3-CE1 4.18Å; A194-F305 VanDerWaalsContact O-CD2 3.31Å; A194-F305 WeakPolarHBondContact O-CD2 3.23Å; L195-F305 HydrophobicContact CD2-CE2 4.29Å; A198-F305 HydrophobicContact CB-CE2 3.98Å; A198-F305 HydrophobicContact CB-CZ 4.19Å; F258-F305 HydrophobicContact CE1-CD1 4.12Å; F258-F305 HydrophobicContact CE1-CD2 4.49Å; F258-F305 HydrophobicContact CE1-CE1 4.27Å; F258-F305 HydrophobicContact CE1-CG 4.24Å; F258-F305 HydrophobicContact CE2-CE1 4.04Å; F258-F305 HydrophobicContact CE2-CE2 4.22Å; F258-F305 AromaticContact CE2-CZ 3.79Å; F258-F305 HydrophobicContact CE2-CZ 3.79Å; F258-F305 AromaticContact CZ-CD1 3.72Å; F258-F305 HydrophobicContact CZ-CD1 3.72Å; F258-F305 AromaticContact CZ-CD2 3.81Å; F258-F305 HydrophobicContact CZ-CD2 3.81Å; F258-F305 AromaticContact CZ-CE1 3.48Å; F258-F305 HydrophobicContact CZ-CE1 3.48Å; F258-F305 VanDerWaalsContact CZ-CE1 3.48Å; F258-F305 AromaticContact CZ-CE2 3.59Å; F258-F305 HydrophobicContact CZ-CE2 3.59Å; F258-F305 AromaticContact CZ-CG 3.88Å; F258-F305 HydrophobicContact CZ-CG 3.88Å; F258-F305 AromaticContact CZ-CZ 3.41Å; F258-F305 HydrophobicContact CZ-CZ 3.41Å; F258-F305 VanDerWaalsContact CZ-CZ 3.41Å; F301-F305 HydrophobicContact CD2-CB 4.26Å; F301-F305 HydrophobicContact CE2-CB 3.79Å; F301-F305 AromaticContact CE2-CD2 3.79Å; F301-F305 HydrophobicContact CE2-CD2 3.79Å; F301-F305 HydrophobicContact CE2-CG 4.12Å; F301-F305 HydrophobicContact CZ-CB 4.24Å; F301-F305 AromaticContact CZ-CD2 3.97Å; F301-F305 HydrophobicContact CZ-CD2 3.97Å; F301-F305 HydrophobicContact CZ-CG 4.26Å; F301-F305 WeakPolarHBondContact O-CB 3.3Å; F301-F305 PolarHBondContact O-N 3.32Å; F305-Q307 VanDerWaalsContact C-N 3.33Å; F305-Q307 PolarHBondContact O-N 2.71Å; F305-S308 PolarHBondContact O-N 3.07Å; F305-M309 HydrophobicContact CD1-CG 3.87Å; F305-M309 HydrophobicContact CE1-CG 3.42Å; F305-M309 VanDerWaalsContact CE1-CG 3.42Å; F305-M309 HydrophobicContact CE1-SD 4.14Å; F305-M309 HydrophobicContact CE2-CG 4.46Å; F305-M309 HydrophobicContact CZ-CG 3.76Å; F305-M309 HydrophobicContact CZ-SD 3.92Å; F305-M309 WeakPolarHBondContact O-CB 3.38Å; F305-M309 WeakPolarHBondContact O-CG 3.42Å; F305-M309 PolarHBondContact O-N 2.88Å
306	A	98.9	Very high	98.8	Very high	14 Å²	14	46 Å²	46	12%	0.116	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-46.4	176.8	0	0	0	0	0	111.8	W147 F302 M309 I310	W147-A306 HydrophobicContact CB-CB 3.8Å; W147-A306 HydrophobicContact CE3-CB 4.43Å; W147-A306 HydrophobicContact CG-CB 4.36Å; F302-A306 WeakPolarHBondContact O-CB 3.44Å; F302-A306 PolarHBondContact O-N 3.28Å; A306-M309 PolarHBondContact O-N 3.08Å; A306-I310 WeakPolarHBondContact O-CG1 3.41Å; A306-I310 PolarHBondContact O-N 3.23Å; A306-I310 VanDerWaalsContact O-N 3.11Å
307	Q	98.9	Very high	98.8	Very high	103 Å²	103	43.3 Å²	43.3	48%	0.481	24%	0.238	S	C	.	.	H	α-helix	trans	-64.4	-44	178.5	-175.5	58.5	60.1	0	0	111.8	Q303 A304 F305 M309 I310 N311	Q303-Q307 PolarHBondContact O-N 3.24Å; Q303-Q307 VanDerWaalsContact O-N 3.12Å; A304-Q307 PolarHBondContact O-N 2.72Å; F305-Q307 VanDerWaalsContact C-N 3.33Å; F305-Q307 PolarHBondContact O-N 2.71Å; Q307-M309 VanDerWaalsContact C-N 3.35Å; Q307-M309 PolarHBondContact O-N 2.82Å; Q307-I310 WeakPolarHBondContact O-CB 3.25Å; Q307-I310 PolarHBondContact O-N 3.45Å; Q307-N311 PolarHBondContact NE2-OD1 3.24Å; Q307-N311 PolarHBondContact O-N 3.3Å; Q307-N311 PolarHBondContact O-OD1 3.18Å
308	S	98.9	Very high	98.8	Very high	5 Å²	5	42.1 Å²	42.1	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-69.8	-30.8	180	-63.4	0	0	0	0	112.8	D191 A304 F305 N311 M312	D191-S308 WeakPolarHBondContact CA-OG 3.21Å; D191-S308 WeakPolarHBondContact OD1-CA 3.28Å; D191-S308 VanDerWaalsContact OD1-CB 3.27Å; D191-S308 WeakPolarHBondContact OD1-CB 3.42Å; D191-S308 PolarHBondContact OD1-OG 2.82Å; A304-S308 WeakPolarHBondContact O-CB 3.3Å; A304-S308 PolarHBondContact O-N 2.7Å; A304-S308 PolarHBondContact O-OG 2.81Å; A304-S308 VanDerWaalsContact O-OG 3.1Å; F305-S308 PolarHBondContact O-N 3.07Å; S308-N311 PolarHBondContact O-N 2.79Å; S308-M312 WeakPolarHBondContact O-CB 3.31Å; S308-M312 PolarHBondContact O-N 3Å
309	M	98.9	Very high	98.7	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.034	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-38.9	169.6	-77.3	-60.8	-63.6	0	0	111.9	I67 W147 L195 F305 A306 Q307 M312 G313	I67-M309 HydrophobicContact CD1-CE 3.77Å; I67-M309 HydrophobicContact CD1-SD 3.95Å; I67-M309 HydrophobicContact CG1-CE 3.97Å; I67-M309 HydrophobicContact CG1-SD 4.43Å; W147-M309 HydrophobicContact CH2-CB 4.41Å; W147-M309 HydrophobicContact CH2-CE 4.39Å; W147-M309 HydrophobicContact CH2-CG 4.06Å; W147-M309 HydrophobicContact CZ2-CB 3.84Å; W147-M309 HydrophobicContact CZ2-CE 3.93Å; W147-M309 HydrophobicContact CZ2-CG 3.93Å; L195-M309 HydrophobicContact CD2-CG 3.92Å; L195-M309 HydrophobicContact CD2-SD 3.52Å; L195-M309 VanDerWaalsContact CD2-SD 3.52Å; F305-M309 HydrophobicContact CD1-CG 3.87Å; F305-M309 HydrophobicContact CE1-CG 3.42Å; F305-M309 VanDerWaalsContact CE1-CG 3.42Å; F305-M309 HydrophobicContact CE1-SD 4.14Å; F305-M309 HydrophobicContact CE2-CG 4.46Å; F305-M309 HydrophobicContact CZ-CG 3.76Å; F305-M309 HydrophobicContact CZ-SD 3.92Å; F305-M309 WeakPolarHBondContact O-CB 3.38Å; F305-M309 WeakPolarHBondContact O-CG 3.42Å; F305-M309 PolarHBondContact O-N 2.88Å; A306-M309 PolarHBondContact O-N 3.08Å; Q307-M309 VanDerWaalsContact C-N 3.35Å; Q307-M309 PolarHBondContact O-N 2.82Å; M309-M312 HydrophobicContact CE-CE 3.71Å; M309-M312 HydrophobicContact SD-CE 3.68Å; M309-G313 PolarHBondContact O-N 2.93Å
310	I	98.8	Very high	98.6	Very high	38 Å²	38	37.7 Å²	37.7	20%	0.195	22%	0.219	C	C	.	.	H	α-helix	trans	-65.5	-42.9	172.9	-67	164.5	0	0	0	110.4	W147 L150 A306 Q307 G313 N314	W147-I310 HydrophobicContact CB-CD1 4.46Å; L150-I310 HydrophobicContact CD1-CG2 4.02Å; L150-I310 HydrophobicContact CG-CG2 4.38Å; A306-I310 WeakPolarHBondContact O-CG1 3.41Å; A306-I310 PolarHBondContact O-N 3.23Å; A306-I310 VanDerWaalsContact O-N 3.11Å; Q307-I310 WeakPolarHBondContact O-CB 3.25Å; Q307-I310 PolarHBondContact O-N 3.45Å; I310-G313 PolarHBondContact O-N 2.74Å; I310-N314 PolarHBondContact O-N 3.12Å; I310-N314 PolarHBondContact O-ND2 2.96Å; I310-N314 VanDerWaalsContact O-ND2 3.11Å
311	N	98.8	Very high	98.5	Very high	51 Å²	51	39.7 Å²	39.7	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-59.7	-49.4	176.5	-63.8	-12.3	0	0	0	111	L187 D191 Q307 S308 G313 N314	L187-N311 HydrophobicContact CD2-CB 3.72Å; D191-N311 PolarHBondContact OD1-ND2 3.48Å; Q307-N311 PolarHBondContact NE2-OD1 3.24Å; Q307-N311 PolarHBondContact O-N 3.3Å; Q307-N311 PolarHBondContact O-OD1 3.18Å; S308-N311 PolarHBondContact O-N 2.79Å; N311-G313 PolarHBondContact O-N 2.87Å; N311-N314 PolarHBondContact O-N 2.99Å; N311-N314 VanDerWaalsContact O-N 3.1Å
312	M	98.9	Very high	98.4	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-42.8	177.6	-174.8	-178.5	77.3	0	0	111.7	F71 C74 F75 C79 L187 L195 S308 M309 N314 I315	F71-M312 HydrophobicContact CB-CE 4.17Å; F71-M312 HydrophobicContact CB-SD 4.05Å; F71-M312 HydrophobicContact CD2-SD 3.78Å; F71-M312 HydrophobicContact CG-SD 4.39Å; C74-M312 HydrophobicContact CB-CG 3.9Å; F75-M312 HydrophobicContact CE2-CG 4.32Å; F75-M312 HydrophobicContact CE2-SD 4.28Å; C79-M312 PolarHBondContact SG-O 2.92Å; L187-M312 HydrophobicContact CD1-CB 4.17Å; L187-M312 HydrophobicContact CD1-CG 4.27Å; L195-M312 HydrophobicContact CD1-CB 4.16Å; L195-M312 HydrophobicContact CD1-SD 4.16Å; S308-M312 WeakPolarHBondContact O-CB 3.31Å; S308-M312 PolarHBondContact O-N 3Å; M309-M312 HydrophobicContact CE-CE 3.71Å; M309-M312 HydrophobicContact SD-CE 3.68Å; M312-N314 PolarHBondContact O-N 3.33Å; M312-N314 VanDerWaalsContact O-N 3.13Å; M312-I315 HydrophobicContact CB-CD1 4.39Å; M312-I315 HydrophobicContact CG-CD1 3.95Å; M312-I315 WeakPolarHBondContact O-CB 3.35Å; M312-I315 WeakPolarHBondContact O-CD1 3.33Å; M312-I315 WeakPolarHBondContact O-CG1 3.43Å; M312-I315 PolarHBondContact O-N 2.72Å; M312-I315 VanDerWaalsContact O-N 3.14Å
313	G	98.7	Very high	98.4	Very high	2 Å²	2	44 Å²	44	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-22	176.2	0	0	0	0	0	113.4	C79 R153 M309 I310 N311 I315	C79-G313 PolarHBondContact SG-O 3.08Å; C79-G313 VanDerWaalsContact SG-O 3.35Å; R153-G313 PolarHBondContact NE-O 3.29Å; R153-G313 PolarHBondContact NH2-O 2.89Å; M309-G313 PolarHBondContact O-N 2.93Å; I310-G313 PolarHBondContact O-N 2.74Å; N311-G313 PolarHBondContact O-N 2.87Å; G313-I315 VanDerWaalsContact C-N 3.32Å
314	N	98.6	Very high	98.4	Very high	66 Å²	66	39.4 Å²	39.4	35%	0.353	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.6	-179.9	-74.2	-34.1	0	0	0	113.8	I310 N311 M312 S316 P317	I310-N314 PolarHBondContact O-N 3.12Å; I310-N314 PolarHBondContact O-ND2 2.96Å; I310-N314 VanDerWaalsContact O-ND2 3.11Å; N311-N314 PolarHBondContact O-N 2.99Å; N311-N314 VanDerWaalsContact O-N 3.1Å; M312-N314 PolarHBondContact O-N 3.33Å; M312-N314 VanDerWaalsContact O-N 3.13Å; N314-S316 PolarHBondContact O-N 3.24Å; N314-P317 WeakPolarHBondContact O-CD 3.45Å
315	I	98.6	Very high	98.4	Very high	15 Å²	15	39.6 Å²	39.6	8%	0.077	24%	0.243	C	C	.	.	S	Bend	trans	-70.6	113.6	179.4	-60.7	166.2	0	0	0	109.7	C74 F75 G78 C79 V185 L187 M312 G313	C74-I315 HydrophobicContact CB-CD1 4.29Å; C74-I315 WeakPolarHBondContact O-CG2 3.49Å; F75-I315 HydrophobicContact CE2-CD1 4.44Å; G78-I315 VanDerWaalsContact CA-O 3.29Å; G78-I315 WeakPolarHBondContact CA-O 3.31Å; C79-I315 PolarHBondContact N-O 2.84Å; V185-I315 HydrophobicContact CB-CD1 3.95Å; V185-I315 HydrophobicContact CB-CG2 4.22Å; V185-I315 HydrophobicContact CG2-CD1 3.86Å; V185-I315 WeakPolarHBondContact O-CG1 3.29Å; L187-I315 HydrophobicContact CD1-CD1 4.06Å; L187-I315 HydrophobicContact CG-CD1 4.27Å; M312-I315 HydrophobicContact CB-CD1 4.39Å; M312-I315 HydrophobicContact CG-CD1 3.95Å; M312-I315 WeakPolarHBondContact O-CB 3.35Å; M312-I315 WeakPolarHBondContact O-CD1 3.33Å; M312-I315 WeakPolarHBondContact O-CG1 3.43Å; M312-I315 PolarHBondContact O-N 2.72Å; M312-I315 VanDerWaalsContact O-N 3.14Å; G313-I315 VanDerWaalsContact C-N 3.32Å
316	S	97.8	Very high	98.4	Very high	83 Å²	83	39.6 Å²	39.6	58%	0.58	24%	0.243	S	C	*	.	S	Bend	trans	40.9	52.2	169.2	-58.5	0	0	0	0	116	N314	N314-S316 PolarHBondContact O-N 3.24Å
317	P	98.5	Very high	98.4	Very high	38 Å²	38	43.7 Å²	43.7	25%	0.247	26%	0.263	C	S	.	.			trans	-69	142.2	-178.3	31.1	-36.8	0	0	0	111.5	L32 R153 N314 T319	L32-P317 HydrophobicContact CD1-CB 3.95Å; L32-P317 HydrophobicContact CD1-CG 3.92Å; L32-P317 HydrophobicContact CD2-CB 4.23Å; L32-P317 HydrophobicContact CD2-CG 4.45Å; L32-P317 HydrophobicContact CG-CB 4.34Å; L32-P317 HydrophobicContact CG-CG 4.14Å; R153-P317 HydrophobicContact CG-CB 3.9Å; N314-P317 WeakPolarHBondContact O-CD 3.45Å; P317-T319 HydrophobicContact CB-CG2 4Å; P317-T319 HydrophobicContact CG-CG2 4.05Å
318	L	98.4	Very high	98.4	Very high	50 Å²	50	41.2 Å²	41.2	26%	0.262	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-75.3	127.3	161	-58.9	179.3	0	0	0	108.6	D80 R153 R154 N322	D80-L318 HydrophobicContact CB-CD1 4.11Å; D80-L318 HydrophobicContact CB-CG 4.22Å; R153-L318 CarbonylContact C-O 3.56Å; R153-L318 WeakPolarHBondContact CA-O 3.05Å; R154-L318 HydrophobicContact CB-CB 4.05Å; R154-L318 PolarHBondContact N-O 3.19Å; L318-N322 HydrophobicContact CB-CB 4.37Å; L318-N322 HydrophobicContact CD2-CB 4.3Å
319	T	98.3	Very high	98.4	Very high	21 Å²	21	41 Å²	41	13%	0.129	25%	0.252	C	S	.	.			trans	-136.7	167.8	-179	71.1	0	0	0	0	112.1	A30 L32 P317 S321 N322	A30-T319 WeakPolarHBondContact O-CB 3.39Å; A30-T319 WeakPolarHBondContact O-CG2 3.43Å; A30-T319 PolarHBondContact O-OG1 3.27Å; L32-T319 HydrophobicContact CD2-CG2 3.81Å; P317-T319 HydrophobicContact CB-CG2 4Å; P317-T319 HydrophobicContact CG-CG2 4.05Å; T319-S321 PolarHBondContact O-N 2.79Å; T319-N322 WeakPolarHBondContact O-CB 3.44Å; T319-N322 PolarHBondContact O-N 3.05Å; T319-N322 VanDerWaalsContact O-N 3.13Å; T319-N322 PolarHBondContact O-ND2 3.47Å
320	G	96	Very high	98.4	Very high	48 Å²	48	43.5 Å²	43.5	50%	0.495	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	-114.5	179.7	0	0	0	0	0	111.7	R154	R154-G320 WeakPolarHBondContact CD-O 3.5Å; R154-G320 PolarHBondContact NE-O 3.42Å
321	S	96.4	Very high	98.4	Very high	107 Å²	107	45.8 Å²	45.8	75%	0.748	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-2.6	176.9	58.2	0	0	0	0	113.9	T319	T319-S321 PolarHBondContact O-N 2.79Å
322	N	98	Very high	98.4	Very high	98 Å²	98	44.9 Å²	44.9	52%	0.524	27%	0.267	S	S	.	.	S	Bend	trans	-77.3	132.5	178.7	-60.5	-53.4	0	0	0	109.8	R154 L318 T319	R154-N322 WeakPolarHBondContact CB-O 3.27Å; R154-N322 WeakPolarHBondContact CD-O 3.31Å; R154-N322 PolarHBondContact NE-O 3.49Å; L318-N322 HydrophobicContact CB-CB 4.37Å; L318-N322 HydrophobicContact CD2-CB 4.3Å; T319-N322 WeakPolarHBondContact O-CB 3.44Å; T319-N322 PolarHBondContact O-N 3.05Å; T319-N322 VanDerWaalsContact O-N 3.13Å; T319-N322 PolarHBondContact O-ND2 3.47Å
323	G	98.5	Very high	98.4	Very high	23 Å²	23	47.6 Å²	47.6	24%	0.237	28%	0.281	C	S	.	.	S	Bend	trans	70.7	-166.8	-172.7	0	0	0	0	0	113.3	R154 D155	R154-G323 PolarHBondContact NE-O 3.23Å; R154-G323 VanDerWaalsContact NE-O 3.16Å; R154-G323 PolarHBondContact NH2-O 3.35Å; D155-G323 CarbonylContact O-C 3.44Å; D155-G323 WeakPolarHBondContact O-CA 3.36Å
324	E	98.8	Very high	98.3	Very high	29 Å²	29	51.9 Å²	51.9	14%	0.136	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-131.8	178.8	-175.4	66.8	177.9	-174.7	0	0	113.9	R154 D155 L157 R326 V332 N333	R154-E324 VanDerWaalsContact NH2-CA 3.34Å; D155-E324 HydrophobicContact CB-CG 4.37Å; D155-E324 WeakPolarHBondContact CB-O 3.4Å; D155-E324 PolarHBondContact N-O 3.11Å; D155-E324 PolarHBondContact O-N 3.04Å; L157-E324 HydrophobicContact CD2-CB 4.36Å; L157-E324 VanDerWaalsContact CD2-CD 3.47Å; L157-E324 HydrophobicContact CD2-CG 3.77Å; E324-R326 HydrophobicContact CG-CG 4.08Å; E324-R326 WeakPolarHBondContact OE1-CG 3.27Å; E324-V332 VanDerWaalsContact OE1-CA 3.25Å; E324-V332 WeakPolarHBondContact OE1-CA 3.37Å; E324-N333 PolarHBondContact OE1-N 3.22Å; E324-N333 VanDerWaalsContact OE2-CB 3.26Å; E324-N333 WeakPolarHBondContact OE2-CB 3.09Å; E324-N333 PolarHBondContact OE2-ND2 3.37Å
325	I	98.9	Very high	98.1	Very high	30 Å²	30	53.4 Å²	53.4	15%	0.154	34%	0.342	C	S	.	.			trans	-106.7	101.2	162	-54.6	-60.3	0	0	0	105.2	R154 N333	R154-I325 HydrophobicContact CG-CD1 4.28Å; I325-N333 PolarHBondContact O-ND2 3.38Å
326	R	98.9	Very high	98.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	36%	0.355	C	S	.	.			trans	-65.2	135.7	179.6	-92.4	-175.2	-92.1	152.7	-5.6	109.6	D80 A81 K114 D155 E324 C329 K331	D80-R326 PolarHBondContact O-NH2 3.15Å; A81-R326 VanDerWaalsContact CB-NH2 3.33Å; A81-R326 PolarHBondContact O-NH1 2.85Å; A81-R326 VanDerWaalsContact O-NH1 3.13Å; A81-R326 PolarHBondContact O-NH2 3.47Å; K114-R326 WeakPolarHBondContact CE-O 3.46Å; K114-R326 PolarHBondContact NZ-O 2.88Å; D155-R326 HydrophobicContact CB-CB 4.29Å; D155-R326 HydrophobicContact CB-CG 4.14Å; D155-R326 PolarHBondContact OD2-N 3.08Å; E324-R326 HydrophobicContact CG-CG 4.08Å; E324-R326 WeakPolarHBondContact OE1-CG 3.27Å; R326-C329 PolarHBondContact NH1-O 3.21Å; R326-K331 WeakPolarHBondContact CD-O 3.42Å; R326-K331 WeakPolarHBondContact CG-O 3.42Å
327	L	98.8	Very high	98.1	Very high	101 Å²	101	53.8 Å²	53.8	53%	0.529	34%	0.343	S	S	.	.	S	Bend	trans	-80.9	-38.7	172.7	-61.5	178.2	0	0	0	111.3	K114 E118 N333	K114-L327 WeakPolarHBondContact CE-O 3.44Å; E118-L327 WeakPolarHBondContact OE2-CD2 3.18Å; L327-N333 PolarHBondContact N-OD1 3.33Å
328	D	98.8	Very high	98	Very high	51 Å²	51	54.7 Å²	54.7	27%	0.273	35%	0.348	S	S	.	.	S	Bend	trans	-116.4	119.4	170.9	-179.1	-15.8	0	0	0	108.2	K330 K331	D328-K330 PolarHBondContact O-N 2.73Å; D328-K330 WeakPolarHBondContact OD1-CB 3.48Å; D328-K330 PolarHBondContact OD1-N 3.06Å; D328-K330 IonicContact OD1-NZ 3.27Å; D328-K330 PolarHBondContact OD1-NZ 3.32Å; D328-K330 IonicContact OD2-NZ 2.67Å; D328-K330 PolarHBondContact OD2-NZ 3.4Å; D328-K331 HydrophobicContact CB-CG 4.17Å; D328-K331 PolarHBondContact O-N 3.29Å
329	C	98.9	Very high	98	Very high	1 Å²	1	55 Å²	55	1%	0.007	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.7	-176.2	-62.9	0	0	0	0	114	L84 K114 C127 R326	L84-C329 CarbonylContact C-O 3.56Å; L84-C329 HydrophobicContact CB-CB 4.33Å; L84-C329 WeakPolarHBondContact CB-O 3.47Å; L84-C329 HydrophobicContact CD1-CB 3.89Å; K114-C329 VanDerWaalsContact CG-SG 3.59Å; C127-C329 HydrophobicContact CB-CB 3.83Å; C127-C329 WeakPolarHBondContact CB-SG 3.5Å; C127-C329 WeakPolarHBondContact SG-CA 3.35Å; C127-C329 WeakPolarHBondContact SG-CB 3.17Å; C127-C329 CovalentContact SG-SG 2.04Å; C127-C329 PolarHBondContact SG-SG 2.78Å; R326-C329 PolarHBondContact NH1-O 3.21Å
330	K	98.9	Very high	98	Very high	59 Å²	59	57.1 Å²	57.1	26%	0.257	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-14	180	-66.8	177.7	-59.2	-58.2	0	114.2	L84 L85 D86 D111 D328	L84-K330 WeakPolarHBondContact O-CA 3.48Å; L85-K330 WeakPolarHBondContact CA-O 3.19Å; D86-K330 PolarHBondContact N-O 3.1Å; D86-K330 WeakPolarHBondContact OD2-CB 3.5Å; D86-K330 WeakPolarHBondContact OD2-CD 3.34Å; D111-K330 IonicContact OD1-NZ 3.17Å; D111-K330 PolarHBondContact OD1-NZ 2.65Å; D111-K330 WeakPolarHBondContact OD2-CD 3.42Å; D111-K330 WeakPolarHBondContact OD2-CE 3.34Å; D111-K330 IonicContact OD2-NZ 2.73Å; D111-K330 PolarHBondContact OD2-NZ 2.86Å; D328-K330 PolarHBondContact O-N 2.73Å; D328-K330 WeakPolarHBondContact OD1-CB 3.48Å; D328-K330 PolarHBondContact OD1-N 3.06Å; D328-K330 IonicContact OD1-NZ 3.27Å; D328-K330 PolarHBondContact OD1-NZ 3.32Å; D328-K330 IonicContact OD2-NZ 2.67Å; D328-K330 PolarHBondContact OD2-NZ 3.4Å
331	K	98.9	Very high	98.1	Very high	85 Å²	85	57.7 Å²	57.7	37%	0.37	36%	0.359	S	S	.	.	S	Bend	trans	-150.3	153	-172.6	65.6	177.1	-174.8	161.8	0	112.9	R326 D328 S335	R326-K331 WeakPolarHBondContact CD-O 3.42Å; R326-K331 WeakPolarHBondContact CG-O 3.42Å; D328-K331 HydrophobicContact CB-CG 4.17Å; D328-K331 PolarHBondContact O-N 3.29Å; K331-S335 PolarHBondContact NZ-O 2.78Å
332	V	98.8	Very high	98.3	Very high	32 Å²	32	54.2 Å²	54.2	19%	0.194	33%	0.331	C	S	.	.			trans	-65.2	147.8	171.8	-60.8	0	0	0	0	110.7	L85 I91 L157 E324 S335	L85-V332 HydrophobicContact CD2-CG1 4.06Å; I91-V332 HydrophobicContact CD1-CG1 4.15Å; L157-V332 HydrophobicContact CB-CG1 4.46Å; L157-V332 HydrophobicContact CD2-CB 4.48Å; L157-V332 HydrophobicContact CD2-CG1 4.28Å; E324-V332 VanDerWaalsContact OE1-CA 3.25Å; E324-V332 WeakPolarHBondContact OE1-CA 3.37Å; V332-S335 PolarHBondContact O-N 3.33Å; V332-S335 PolarHBondContact O-OG 3.16Å
333	N	98.6	Very high	98.3	Very high	60 Å²	60	50.8 Å²	50.8	32%	0.321	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	144	179.5	-65	-42.1	0	0	0	111.2	E324 I325 L327 S335	E324-N333 PolarHBondContact OE1-N 3.22Å; E324-N333 VanDerWaalsContact OE2-CB 3.26Å; E324-N333 WeakPolarHBondContact OE2-CB 3.09Å; E324-N333 PolarHBondContact OE2-ND2 3.37Å; I325-N333 PolarHBondContact O-ND2 3.38Å; L327-N333 PolarHBondContact N-OD1 3.33Å; N333-S335 VanDerWaalsContact C-N 3.3Å; N333-S335 PolarHBondContact O-N 3.08Å
334	G	97.3	Very high	98.3	Very high	93 Å²	93	53.2 Å²	53.2	96%	0.959	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	5.8	-179.2	0	0	0	0	0	115.4
335	S	93.7	Very high	98.2	Very high	97 Å²	97	55.4 Å²	55.4	68%	0.678	34%	0.34	S	S	*	.			trans	-95.5	0	171.2	65.5	0	0	0	0	114.5	K331 V332 N333	K331-S335 PolarHBondContact NZ-O 2.78Å; V332-S335 PolarHBondContact O-N 3.33Å; V332-S335 PolarHBondContact O-OG 3.16Å; N333-S335 VanDerWaalsContact C-N 3.3Å; N333-S335 PolarHBondContact O-N 3.08Å

Retrieved 335 of 335 residues in 233.8 ms (Link to these results)

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