A0A087YDJ0_POEFO Loading...

Kynurenine aminotransferase 1

AlphaFold DB , UniProt , Accession A0A087YDJ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 444 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	34.1	Very low	257 Å²	257	154.2 Å²	154.2	100%	1.266	81%	0.809	S	S	*	*				0	129.7	0	-64.5	166.3	168.8	0	0	106.9
2	G	28.3	Very low	33.8	Very low	67 Å²	67	150.6 Å²	150.6	69%	0.691	80%	0.798	S	S	*	*			cis	137.6	122.9	-1.9	0	0	0	0	0	111.5
3	I	28.1	Very low	33.5	Very low	157 Å²	157	151.9 Å²	151.9	81%	0.805	81%	0.805	S	S	*	*			trans	72.5	112.6	159.9	-55.8	167.4	0	0	0	114.3
4	I	33.5	Very low	33.7	Very low	145 Å²	145	152.6 Å²	152.6	74%	0.744	81%	0.808	S	S	*	*			cis	89.7	141.9	48.2	-66.1	165.9	0	0	0	114.4
5	R	36.9	Very low	33.9	Very low	228 Å²	228	158.7 Å²	158.7	86%	0.86	82%	0.815	S	S	*	*			trans	84.1	154.6	163.8	-103.4	170.6	-163.8	174.6	5.6	116.4
6	I	36	Very low	34.2	Very low	141 Å²	141	155.5 Å²	155.5	72%	0.723	81%	0.808	S	S	*	*			cis	-137.3	154.4	5.7	-31.7	159.4	0	0	0	108.5
7	L	32.1	Very low	34.3	Very low	167 Å²	167	156.4 Å²	156.4	87%	0.874	81%	0.814	S	S	*	*				-175.2	152.5	87.8	-95.5	165.6	0	0	0	113.5
8	A	30.6	Very low	34.5	Very low	88 Å²	88	156.3 Å²	156.3	73%	0.727	81%	0.814	S	S	*	*			trans	-104.5	-164.3	-178.2	0	0	0	0	0	111.2
9	P	52.5	Low	35.2	Very low	106 Å²	106	154.7 Å²	154.7	69%	0.688	81%	0.811	S	S	*	*			cis	-136.4	-154	42.3	45.5	-25.3	0	0	0	112.4
10	Y	31.9	Very low	35.4	Very low	198 Å²	198	154.8 Å²	154.8	78%	0.776	81%	0.807	S	S	*	*			cis	-158.5	152.3	-1.6	-124.7	-34	0	0	0	110.2
11	L	29.6	Very low	35.6	Very low	142 Å²	142	154.2 Å²	154.2	74%	0.743	81%	0.805	S	S	*	*			trans	62.5	141.3	155	-65	153.4	0	0	0	117.9
12	T	30.4	Very low	36.1	Very low	111 Å²	111	149.5 Å²	149.5	68%	0.681	78%	0.779	S	S	*	*			cis	-157.5	156.7	16.8	-19.4	0	0	0	0	113.3
13	L	31.1	Very low	37	Very low	168 Å²	168	154.3 Å²	154.3	88%	0.88	78%	0.784	S	S	*	*			trans	75.4	140	150	-78.3	158.1	0	0	0	122.5
14	L	35.8	Very low	38	Very low	162 Å²	162	154.2 Å²	154.2	85%	0.848	78%	0.784	S	S	*	*			trans	-105.5	154.2	-176.3	-75.3	148.4	0	0	0	112.2
15	R	36.8	Very low	39.1	Very low	244 Å²	244	154.3 Å²	154.3	92%	0.921	79%	0.785	S	S	*	*			trans	131.2	155.6	147.6	-74.9	178.7	178.2	-158.1	1.3	112.7
16	P	39.1	Very low	40.1	Very low	107 Å²	107	151.4 Å²	151.4	70%	0.695	78%	0.783	S	S	*	*				-117.6	162.7	-64.2	31.7	-15.3	0	0	0	111	L18	P16-L18 PolarHBondContact O-N 3.01Å
17	N	36.1	Very low	41.7	Very low	171 Å²	171	149 Å²	149	91%	0.914	78%	0.784	S	S	*	*			trans	-66.8	102.5	177	-80.2	-18.2	0	0	0	111.6
18	L	36.3	Very low	44	Very low	155 Å²	155	152 Å²	152	81%	0.812	78%	0.784	S	S	*	*			trans	-78	118.6	165.1	-93.4	160.5	0	0	0	109.6	P16 Q20	P16-L18 PolarHBondContact O-N 3.01Å; L18-Q20 PolarHBondContact O-N 2.96Å
19	V	47.9	Very low	46.5	Very low	125 Å²	125	155 Å²	155	76%	0.758	78%	0.777	S	S	*	*			trans	-68.9	96.5	169.9	178.7	0	0	0	0	108.6	N21	V19-N21 PolarHBondContact O-N 3.26Å
20	Q	40.2	Very low	48.4	Very low	156 Å²	156	158.5 Å²	158.5	73%	0.729	79%	0.788	S	S	*	*			trans	-86.2	86.7	166.4	-82.9	-169.5	-20	0	0	110.2	L18 H22	L18-Q20 PolarHBondContact O-N 2.96Å; Q20-H22 PolarHBondContact O-N 2.92Å; Q20-H22 PolarHBondContact O-ND1 2.89Å; Q20-H22 VanDerWaalsContact O-ND1 3.12Å
21	N	40.4	Very low	51.2	Low	143 Å²	143	155.3 Å²	155.3	77%	0.765	78%	0.776	S	S	*	*			trans	-50.5	102.5	157.7	-90.2	-22.7	0	0	0	108.8	V19 Q23	V19-N21 PolarHBondContact O-N 3.26Å; N21-Q23 PolarHBondContact O-N 2.9Å
22	H	44.8	Very low	54.2	Low	158 Å²	158	150.4 Å²	150.4	73%	0.731	76%	0.756	S	S	*	*			trans	-72	86.5	167.9	-82	54.8	0	0	0	107.9	Q20 L24	Q20-H22 PolarHBondContact O-N 2.92Å; Q20-H22 PolarHBondContact O-ND1 2.89Å; Q20-H22 VanDerWaalsContact O-ND1 3.12Å; H22-L24 VanDerWaalsContact C-N 3.29Å; H22-L24 PolarHBondContact O-N 3.12Å
23	Q	46.1	Very low	57.2	Low	169 Å²	169	149.4 Å²	149.4	79%	0.79	75%	0.753	S	S	*	*			trans	-60.7	100	158.6	-79.2	-174.6	-23.5	0	0	107.2	N21 I25	N21-Q23 PolarHBondContact O-N 2.9Å; Q23-I25 PolarHBondContact O-N 2.67Å
24	L	50.3	Low	60.2	Low	154 Å²	154	147.9 Å²	147.9	81%	0.806	74%	0.736	S	S	*	*			trans	-61.1	90.4	161.7	-91.8	157	0	0	0	107.5	H22 M26	H22-L24 VanDerWaalsContact C-N 3.29Å; H22-L24 PolarHBondContact O-N 3.12Å; L24-M26 VanDerWaalsContact C-N 3.25Å; L24-M26 PolarHBondContact O-N 2.8Å
25	I	56.2	Low	62.9	Low	147 Å²	147	143.2 Å²	143.2	75%	0.754	71%	0.714	S	S	*	*			trans	-64.8	95	167.1	-57.5	179.3	0	0	0	105.6	Q23 A27	Q23-I25 PolarHBondContact O-N 2.67Å; I25-A27 PolarHBondContact O-N 2.86Å
26	M	58	Low	65.5	Low	167 Å²	167	135.4 Å²	135.4	82%	0.823	69%	0.69	S	S	*	*			trans	-66	92.3	168.3	-73	-151.8	177.4	0	0	107.8	L24 R28	L24-M26 VanDerWaalsContact C-N 3.25Å; L24-M26 PolarHBondContact O-N 2.8Å; M26-R28 PolarHBondContact O-N 2.67Å
27	A	69.5	Low	67.7	Low	91 Å²	91	133.1 Å²	133.1	75%	0.752	69%	0.685	S	S	*	*			trans	-56.8	106.5	173.5	0	0	0	0	0	108.4	I25 R29	I25-A27 PolarHBondContact O-N 2.86Å; A27-R29 PolarHBondContact O-N 2.83Å
28	R	79.6	Confident	70.1	Confident	230 Å²	230	126.9 Å²	126.9	87%	0.868	65%	0.654	S	S	*	*			trans	-60.6	131.2	177.2	-73.4	-176.9	173.2	-175.5	-2.5	108.6	M26 L30	M26-R28 PolarHBondContact O-N 2.67Å; R28-L30 PolarHBondContact O-N 3.46Å
29	R	83.9	Confident	72.1	Confident	152 Å²	152	125.4 Å²	125.4	57%	0.574	65%	0.647	S	S	*	*			trans	-56.5	127.4	171.3	-177.2	-177.1	-96.8	151.4	-2.6	108.6	A27 Y31 I36	A27-R29 PolarHBondContact O-N 2.83Å; R29-Y31 VanDerWaalsContact C-N 3.34Å; R29-Y31 WeakPolarHBondContact CD-O 3.24Å; R29-Y31 HydrophobicContact CG-CD1 4.13Å; R29-Y31 HydrophobicContact CG-CD2 3.96Å; R29-Y31 HydrophobicContact CG-CE1 3.93Å; R29-Y31 HydrophobicContact CG-CE2 3.73Å; R29-Y31 HydrophobicContact CG-CG 4.13Å; R29-Y31 WeakPolarHBondContact CG-O 3.4Å; R29-Y31 PolarHBondContact NE-OH 2.94Å; R29-I36 VanDerWaalsContact CZ-CD1 3.46Å
30	L	91.8	Very high	73.7	Confident	178 Å²	178	128.7 Å²	128.7	93%	0.932	65%	0.651	S	S	*	*	S	Bend	trans	-73.1	-25.2	-174.6	-64.3	176.3	0	0	0	113.4	R28	R28-L30 PolarHBondContact O-N 3.46Å
31	Y	91.3	Very high	75.8	Confident	131 Å²	131	125 Å²	125	51%	0.514	64%	0.636	S	S	.	*	S	Bend	trans	-110.1	156.8	-179.4	55.4	-93.9	0	0	0	111.7	R29 I36	R29-Y31 VanDerWaalsContact C-N 3.34Å; R29-Y31 WeakPolarHBondContact CD-O 3.24Å; R29-Y31 HydrophobicContact CG-CD1 4.13Å; R29-Y31 HydrophobicContact CG-CD2 3.96Å; R29-Y31 HydrophobicContact CG-CE1 3.93Å; R29-Y31 HydrophobicContact CG-CE2 3.73Å; R29-Y31 HydrophobicContact CG-CG 4.13Å; R29-Y31 WeakPolarHBondContact CG-O 3.4Å; R29-Y31 PolarHBondContact NE-OH 2.94Å; Y31-I36 HydrophobicContact CD2-CG1 4.36Å; Y31-I36 HydrophobicContact CE2-CD1 4.04Å; Y31-I36 HydrophobicContact CE2-CG1 3.76Å
32	A	93.6	Very high	78	Confident	39 Å²	39	119 Å²	119	32%	0.322	60%	0.604	S	S	.	*			trans	-69.7	148.5	179.4	0	0	0	0	0	111.9	R34 T35	A32-R34 HydrophobicContact CB-CG 4.2Å; A32-R34 PolarHBondContact O-N 3.33Å; A32-T35 PolarHBondContact O-N 3.31Å; A32-T35 PolarHBondContact O-OG1 3.37Å; A32-T35 VanDerWaalsContact O-OG1 3.1Å
33	S	92.7	Very high	80.1	Confident	90 Å²	90	113.8 Å²	113.8	63%	0.629	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-57.1	-37	176	43.6	0	0	0	0	113.2	T35 I36	S33-T35 PolarHBondContact O-N 3.18Å; S33-I36 WeakPolarHBondContact O-CB 3.46Å; S33-I36 WeakPolarHBondContact O-CG1 3.23Å; S33-I36 PolarHBondContact O-N 3.41Å
34	R	93.6	Very high	82	Confident	137 Å²	137	110.5 Å²	110.5	52%	0.517	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-63.3	-5.7	-178.6	79.9	179.2	78.5	89.5	-3.7	115.8	A32 M159	A32-R34 HydrophobicContact CB-CG 4.2Å; A32-R34 PolarHBondContact O-N 3.33Å; R34-M159 HydrophobicContact CB-CG 4.31Å; R34-M159 HydrophobicContact CG-CG 4.13Å
35	T	92.9	Very high	83.9	Confident	63 Å²	63	107.1 Å²	107.1	39%	0.387	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-106.3	11.3	178.6	71.4	0	0	0	0	113	A32 S33	A32-T35 PolarHBondContact O-N 3.31Å; A32-T35 PolarHBondContact O-OG1 3.37Å; A32-T35 VanDerWaalsContact O-OG1 3.1Å; S33-T35 PolarHBondContact O-N 3.18Å
36	I	90.7	Very high	85.6	Confident	80 Å²	80	100.4 Å²	100.4	41%	0.41	52%	0.515	S	S	.	.	S	Bend	trans	-87.6	129.1	-179.5	-64.3	170.4	0	0	0	109.5	R29 Y31 S33 V38	R29-I36 VanDerWaalsContact CZ-CD1 3.46Å; Y31-I36 HydrophobicContact CD2-CG1 4.36Å; Y31-I36 HydrophobicContact CE2-CD1 4.04Å; Y31-I36 HydrophobicContact CE2-CG1 3.76Å; S33-I36 WeakPolarHBondContact O-CB 3.46Å; S33-I36 WeakPolarHBondContact O-CG1 3.23Å; S33-I36 PolarHBondContact O-N 3.41Å; I36-V38 VanDerWaalsContact C-N 3.27Å; I36-V38 PolarHBondContact O-N 2.9Å
37	G	85.1	Confident	87.2	Confident	59 Å²	59	95.1 Å²	95.1	61%	0.608	49%	0.493	S	S	*	.	S	Bend	trans	77.5	8.3	175.5	0	0	0	0	0	115
38	V	86.5	Confident	88.2	Confident	41 Å²	41	96.1 Å²	96.1	25%	0.248	48%	0.481	C	S	.	.			trans	-116.9	15.8	179.1	-59.7	0	0	0	0	112.4	I36 P155 L158	I36-V38 VanDerWaalsContact C-N 3.27Å; I36-V38 PolarHBondContact O-N 2.9Å; V38-P155 HydrophobicContact CB-CB 3.74Å; V38-P155 HydrophobicContact CG1-CB 3.59Å; V38-L158 HydrophobicContact CG1-CB 4.14Å; V38-L158 HydrophobicContact CG1-CD1 4.21Å
39	D	80	Confident	88.9	Confident	124 Å²	124	86.4 Å²	86.4	66%	0.663	45%	0.447	S	S	*	.			trans	-87.8	-25.8	-176.1	56.9	-68.3	0	0	0	114
40	K	80.3	Confident	89.3	Confident	193 Å²	193	79.4 Å²	79.4	84%	0.839	42%	0.421	S	S	*	.			trans	-73.9	135.4	178.5	-67.9	-173.3	177.1	-175.6	0	111.2
41	N	83.7	Confident	89.4	Confident	78 Å²	78	73.9 Å²	73.9	42%	0.417	40%	0.401	S	S	.	.			trans	-143.1	110	-178.1	-170.6	-50.3	0	0	0	111.4	W43 V44	N41-W43 PolarHBondContact O-N 2.67Å; N41-W43 WeakPolarHBondContact OD1-CA 3.42Å; N41-W43 WeakPolarHBondContact OD1-CB 3.45Å; N41-W43 VanDerWaalsContact OD1-CD1 3.24Å; N41-W43 PolarHBondContact OD1-N 3.47Å; N41-V44 HydrophobicContact CB-CG2 4Å; N41-V44 PolarHBondContact O-N 3.19Å; N41-V44 PolarHBondContact OD1-N 3.34Å
42	V	86.6	Confident	89.6	Confident	18 Å²	18	72.3 Å²	72.3	11%	0.109	40%	0.402	C	S	.	.	H	α-helix	trans	-59.2	-31.3	-179.3	66.5	0	0	0	0	113	V44 E45 F46 F386 P402 A405	V42-V44 VanDerWaalsContact C-N 3.33Å; V42-V44 PolarHBondContact O-N 3.24Å; V42-E45 PolarHBondContact O-N 3.31Å; V42-F46 HydrophobicContact CG2-CD2 3.57Å; V42-F46 HydrophobicContact CG2-CE2 3.78Å; V42-F46 WeakPolarHBondContact O-CD2 3.44Å; V42-F46 PolarHBondContact O-N 3.15Å; V42-F386 HydrophobicContact CG2-CE1 4.42Å; V42-F386 HydrophobicContact CG2-CZ 4.04Å; V42-P402 HydrophobicContact CG2-CG 4.5Å; V42-A405 HydrophobicContact CB-CB 4.18Å; V42-A405 HydrophobicContact CG1-CB 4.17Å; V42-A405 HydrophobicContact CG2-CB 3.82Å
43	W	89	Confident	89.6	Confident	48 Å²	48	75.9 Å²	75.9	18%	0.182	41%	0.408	C	S	.	.	H	α-helix	trans	-67.6	-33.4	-178.1	-53.7	106.4	0	0	0	112.7	N41 T47 F150 D151 I401 F406	N41-W43 PolarHBondContact O-N 2.67Å; N41-W43 WeakPolarHBondContact OD1-CA 3.42Å; N41-W43 WeakPolarHBondContact OD1-CB 3.45Å; N41-W43 VanDerWaalsContact OD1-CD1 3.24Å; N41-W43 PolarHBondContact OD1-N 3.47Å; W43-T47 WeakPolarHBondContact O-CB 3.32Å; W43-T47 PolarHBondContact O-N 2.89Å; W43-T47 VanDerWaalsContact O-N 3.12Å; W43-T47 PolarHBondContact O-OG1 3.44Å; W43-F150 AromaticContact CZ2-CE2 3.98Å; W43-F150 HydrophobicContact CZ2-CE2 3.98Å; W43-D151 VanDerWaalsContact CZ2-OD1 3.26Å; W43-D151 WeakPolarHBondContact CZ2-OD1 3.48Å; W43-D151 PolarHBondContact NE1-OD1 2.75Å; W43-D151 PolarHBondContact NE1-OD2 2.73Å; W43-I401 HydrophobicContact CE3-CD1 4.2Å; W43-I401 HydrophobicContact CZ3-CD1 3.87Å; W43-I401 HydrophobicContact CZ3-CG1 3.93Å; W43-I401 HydrophobicContact CZ3-CG2 4.48Å; W43-F406 HydrophobicContact CH2-CE1 4.12Å; W43-F406 AromaticContact CH2-CZ 3.77Å; W43-F406 HydrophobicContact CH2-CZ 3.77Å; W43-F406 AromaticContact CZ2-CE1 3.85Å; W43-F406 HydrophobicContact CZ2-CE1 3.85Å; W43-F406 AromaticContact CZ2-CZ 3.96Å; W43-F406 HydrophobicContact CZ2-CZ 3.96Å
44	V	87.4	Confident	89.8	Confident	101 Å²	101	80.8 Å²	80.8	61%	0.612	42%	0.418	S	S	*	.	H	α-helix	trans	-66.9	-49.2	179.4	178	0	0	0	0	110	N41 V42 Q48	N41-V44 HydrophobicContact CB-CG2 4Å; N41-V44 PolarHBondContact O-N 3.19Å; N41-V44 PolarHBondContact OD1-N 3.34Å; V42-V44 VanDerWaalsContact C-N 3.33Å; V42-V44 PolarHBondContact O-N 3.24Å; V44-Q48 WeakPolarHBondContact O-CB 3.47Å; V44-Q48 PolarHBondContact O-N 2.99Å; V44-Q48 VanDerWaalsContact O-N 3.13Å
45	E	90	Very high	89.9	Confident	83 Å²	83	74.9 Å²	74.9	39%	0.388	40%	0.398	S	S	.	.	H	α-helix	trans	-62.2	-56.2	-177.8	-176.8	175.6	-176.3	0	0	112.3	V42 T47 Q48 L49 K390	V42-E45 PolarHBondContact O-N 3.31Å; E45-T47 PolarHBondContact O-N 2.76Å; E45-Q48 PolarHBondContact O-N 2.97Å; E45-L49 PolarHBondContact O-N 3.06Å; E45-K390 WeakPolarHBondContact OE1-CE 3.44Å; E45-K390 IonicContact OE1-NZ 2.79Å; E45-K390 PolarHBondContact OE1-NZ 3.24Å
46	F	92.4	Very high	90	Very high	5 Å²	5	73.5 Å²	73.5	2%	0.022	39%	0.39	C	S	.	.	H	α-helix	trans	-73.9	-24.6	-176.2	-73.7	-80.4	0	0	0	113.5	V42 A50 F386 V389 K390 I393 I401 P402	V42-F46 HydrophobicContact CG2-CD2 3.57Å; V42-F46 HydrophobicContact CG2-CE2 3.78Å; V42-F46 WeakPolarHBondContact O-CD2 3.44Å; V42-F46 PolarHBondContact O-N 3.15Å; F46-A50 VanDerWaalsContact O-CB 3.28Å; F46-A50 WeakPolarHBondContact O-CB 3.09Å; F46-A50 PolarHBondContact O-N 2.86Å; F46-A50 VanDerWaalsContact O-N 3.09Å; F46-F386 AromaticContact CE2-CD1 3.79Å; F46-F386 HydrophobicContact CE2-CD1 3.79Å; F46-F386 AromaticContact CE2-CE1 3.64Å; F46-F386 HydrophobicContact CE2-CE1 3.64Å; F46-F386 HydrophobicContact CE2-CZ 4.27Å; F46-F386 AromaticContact CZ-CD1 3.78Å; F46-F386 HydrophobicContact CZ-CD1 3.78Å; F46-F386 HydrophobicContact CZ-CE1 4.14Å; F46-F386 HydrophobicContact CZ-CG 4.26Å; F46-V389 HydrophobicContact CD1-CG1 3.67Å; F46-V389 HydrophobicContact CE1-CB 3.85Å; F46-V389 HydrophobicContact CE1-CG1 3.42Å; F46-V389 VanDerWaalsContact CE1-CG1 3.42Å; F46-V389 HydrophobicContact CZ-CB 4.46Å; F46-V389 HydrophobicContact CZ-CG1 4.36Å; F46-K390 HydrophobicContact CE1-CG 4.01Å; F46-K390 HydrophobicContact CZ-CG 4.36Å; F46-I393 HydrophobicContact CD1-CD1 3.91Å; F46-I401 HydrophobicContact CB-CD1 3.98Å; F46-I401 HydrophobicContact CG-CD1 4.5Å; F46-P402 HydrophobicContact CD2-CG 4.45Å; F46-P402 HydrophobicContact CE2-CG 3.63Å; F46-P402 HydrophobicContact CZ-CG 3.71Å
47	T	90.2	Very high	90.3	Very high	57 Å²	57	71.3 Å²	71.3	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-68.3	-43.9	171	-64.2	0	0	0	0	111.2	W43 E45 A51	W43-T47 WeakPolarHBondContact O-CB 3.32Å; W43-T47 PolarHBondContact O-N 2.89Å; W43-T47 VanDerWaalsContact O-N 3.12Å; W43-T47 PolarHBondContact O-OG1 3.44Å; E45-T47 PolarHBondContact O-N 2.76Å; T47-A51 PolarHBondContact O-N 3.41Å
48	Q	91.8	Very high	90.9	Very high	111 Å²	111	68.5 Å²	68.5	52%	0.519	35%	0.35	S	S	.	.	H	α-helix	trans	-64	-48.9	177.4	-173.1	61.3	53	0	0	110.9	V44 E45 A50 A51 D52	V44-Q48 WeakPolarHBondContact O-CB 3.47Å; V44-Q48 PolarHBondContact O-N 2.99Å; V44-Q48 VanDerWaalsContact O-N 3.13Å; E45-Q48 PolarHBondContact O-N 2.97Å; Q48-A50 VanDerWaalsContact C-N 3.32Å; Q48-A50 PolarHBondContact O-N 3.13Å; Q48-A51 WeakPolarHBondContact O-CB 3.3Å; Q48-A51 PolarHBondContact O-N 2.61Å; Q48-D52 PolarHBondContact NE2-OD1 2.77Å; Q48-D52 VanDerWaalsContact O-CG 3.29Å; Q48-D52 PolarHBondContact O-N 3.25Å
49	L	92.9	Very high	91.1	Very high	27 Å²	27	66.6 Å²	66.6	14%	0.141	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-39.3	-178.8	-171.9	65.9	0	0	0	112.6	E45 A51 Y53 K390 I393	E45-L49 PolarHBondContact O-N 3.06Å; L49-A51 VanDerWaalsContact C-N 3.32Å; L49-A51 PolarHBondContact O-N 3.29Å; L49-Y53 HydrophobicContact CD1-CD2 3.81Å; L49-Y53 HydrophobicContact CD1-CE2 3.67Å; L49-Y53 HydrophobicContact CG-CD2 4.44Å; L49-Y53 WeakPolarHBondContact O-CD2 3.45Å; L49-Y53 PolarHBondContact O-N 2.78Å; L49-K390 HydrophobicContact CD2-CB 4.29Å; L49-K390 HydrophobicContact CD2-CG 3.82Å; L49-I393 HydrophobicContact CD2-CB 4.38Å; L49-I393 HydrophobicContact CD2-CD1 3.91Å; L49-I393 HydrophobicContact CD2-CG2 4.37Å; L49-I393 HydrophobicContact CG-CB 4.45Å; L49-I393 HydrophobicContact CG-CD1 4.27Å; L49-I393 HydrophobicContact CG-CG2 3.91Å
50	A	93.6	Very high	91.5	Very high	4 Å²	4	63 Å²	63	3%	0.033	32%	0.317	C	S	.	.	H	α-helix	trans	-65.1	-35	175.1	0	0	0	0	0	112.8	F46 Q48 K54 A55 A399	F46-A50 VanDerWaalsContact O-CB 3.28Å; F46-A50 WeakPolarHBondContact O-CB 3.09Å; F46-A50 PolarHBondContact O-N 2.86Å; F46-A50 VanDerWaalsContact O-N 3.09Å; Q48-A50 VanDerWaalsContact C-N 3.32Å; Q48-A50 PolarHBondContact O-N 3.13Å; A50-K54 PolarHBondContact O-N 2.82Å; A50-K54 VanDerWaalsContact O-N 3.14Å; A50-A55 PolarHBondContact O-N 3.03Å; A50-A399 HydrophobicContact CB-CB 3.62Å
51	A	92.7	Very high	91.9	Very high	62 Å²	62	54.5 Å²	54.5	51%	0.512	29%	0.285	S	S	.	.	H	α-helix	trans	-71.4	-44.6	176.7	0	0	0	0	0	112.1	T47 Q48 L49 Y53 K54	T47-A51 PolarHBondContact O-N 3.41Å; Q48-A51 WeakPolarHBondContact O-CB 3.3Å; Q48-A51 PolarHBondContact O-N 2.61Å; L49-A51 VanDerWaalsContact C-N 3.32Å; L49-A51 PolarHBondContact O-N 3.29Å; A51-Y53 VanDerWaalsContact C-N 3.29Å; A51-Y53 PolarHBondContact O-N 3.13Å; A51-K54 PolarHBondContact O-N 3.12Å; A51-K54 VanDerWaalsContact O-N 3.11Å
52	D	94.8	Very high	92.2	Very high	98 Å²	98	54.6 Å²	54.6	52%	0.524	28%	0.282	S	S	.	.	H	α-helix	trans	-59.3	-40.1	-179.5	-66.1	-22.5	0	0	0	112	Q48	Q48-D52 PolarHBondContact NE2-OD1 2.77Å; Q48-D52 VanDerWaalsContact O-CG 3.29Å; Q48-D52 PolarHBondContact O-N 3.25Å
53	Y	95.6	Very high	92.6	Very high	114 Å²	114	54.3 Å²	54.3	45%	0.447	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.1	178.8	-75.3	-95.8	0	0	0	114.2	L49 A51 A55 I393 K394	L49-Y53 HydrophobicContact CD1-CD2 3.81Å; L49-Y53 HydrophobicContact CD1-CE2 3.67Å; L49-Y53 HydrophobicContact CG-CD2 4.44Å; L49-Y53 WeakPolarHBondContact O-CD2 3.45Å; L49-Y53 PolarHBondContact O-N 2.78Å; A51-Y53 VanDerWaalsContact C-N 3.29Å; A51-Y53 PolarHBondContact O-N 3.13Å; Y53-A55 PolarHBondContact O-N 3.12Å; Y53-I393 HydrophobicContact CD2-CG2 4.3Å; Y53-I393 HydrophobicContact CG-CG2 4.16Å; Y53-K394 HydrophobicContact CD1-CB 4.44Å; Y53-K394 HydrophobicContact CE1-CB 3.98Å; Y53-K394 HydrophobicContact CE1-CG 3.93Å; Y53-K394 HydrophobicContact CE2-CG 4.04Å
54	K	95	Very high	92.9	Very high	193 Å²	193	55 Å²	55	84%	0.839	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	38.9	-176.8	-55.9	178	-176.5	175.7	0	112.9	A50 A51	A50-K54 PolarHBondContact O-N 2.82Å; A50-K54 VanDerWaalsContact O-N 3.14Å; A51-K54 PolarHBondContact O-N 3.12Å; A51-K54 VanDerWaalsContact O-N 3.11Å
55	A	95.6	Very high	93.2	Very high	14 Å²	14	51.9 Å²	51.9	12%	0.116	27%	0.266	C	S	.	.			trans	-71.3	148.8	-173.3	0	0	0	0	0	112.5	A50 Y53 N57 I393 G397 A399	A50-A55 PolarHBondContact O-N 3.03Å; Y53-A55 PolarHBondContact O-N 3.12Å; A55-N57 PolarHBondContact O-N 3.1Å; A55-I393 HydrophobicContact CB-CG2 4.16Å; A55-G397 CarbonylContact C-O 3.58Å; A55-G397 VanDerWaalsContact CA-O 3.23Å; A55-G397 WeakPolarHBondContact CA-O 2.96Å; A55-G397 WeakPolarHBondContact CB-O 3.27Å; A55-A399 HydrophobicContact CB-CB 4.04Å
56	V	96.6	Very high	93.6	Very high	33 Å²	33	52 Å²	52	20%	0.2	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	118.8	167.1	178.5	0	0	0	0	107.9	L58 G397 L398 A399 T429 A432 A433 I436	V56-L58 PolarHBondContact O-N 2.95Å; V56-G397 PolarHBondContact N-O 3.37Å; V56-L398 HydrophobicContact CB-CD1 4.28Å; V56-L398 HydrophobicContact CG1-CD1 4.38Å; V56-A399 PolarHBondContact O-N 3.14Å; V56-T429 HydrophobicContact CG1-CG2 4.15Å; V56-A432 HydrophobicContact CG1-CB 4.24Å; V56-A432 HydrophobicContact CG2-CB 3.86Å; V56-A433 HydrophobicContact CG1-CB 4.02Å; V56-I436 HydrophobicContact CB-CD1 4Å; V56-I436 HydrophobicContact CG2-CD1 3.6Å
57	N	96.2	Very high	93.8	Very high	35 Å²	35	53 Å²	53	19%	0.187	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	91.4	-165.3	-161.2	-33	0	0	0	113.4	A55 G59 Q60 K425	A55-N57 PolarHBondContact O-N 3.1Å; N57-G59 PolarHBondContact OD1-N 3.35Å; N57-Q60 PolarHBondContact ND2-OE1 2.65Å; N57-Q60 PolarHBondContact OD1-N 2.83Å; N57-K425 WeakPolarHBondContact O-CE 3.43Å
58	L	96.9	Very high	94.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.			trans	-94.2	5.6	168	-57.1	-168.3	0	0	0	112.7	V56 L343 L398 A399 F421 C422 K425 T429 L430 A433	V56-L58 PolarHBondContact O-N 2.95Å; L58-L343 HydrophobicContact CD1-CD1 4.06Å; L58-L398 HydrophobicContact CD1-CD1 4.07Å; L58-L398 HydrophobicContact CG-CD1 4.02Å; L58-A399 CarbonylContact C-O 3.58Å; L58-A399 VanDerWaalsContact C-O 3.27Å; L58-A399 WeakPolarHBondContact CA-O 3.3Å; L58-A399 PolarHBondContact N-O 3.32Å; L58-F421 HydrophobicContact CB-CD1 4.01Å; L58-F421 HydrophobicContact CD1-CD1 3.81Å; L58-F421 HydrophobicContact CD1-CE1 4.42Å; L58-F421 CarbonylContact O-C 3.43Å; L58-C422 WeakPolarHBondContact O-CB 3.36Å; L58-C422 PolarHBondContact O-N 2.77Å; L58-K425 HydrophobicContact CD2-CG 3.86Å; L58-T429 HydrophobicContact CD2-CG2 4.01Å; L58-L430 HydrophobicContact CD2-CD2 4.21Å; L58-A433 HydrophobicContact CD1-CB 3.61Å; L58-A433 HydrophobicContact CG-CB 4.2Å
59	G	92.8	Very high	94.5	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.01	27%	0.273	C	S	.	.	S	Bend	trans	-84.4	-40.3	177.5	0	0	0	0	0	113.1	N57 G61 A399 I401 R420	N57-G59 PolarHBondContact OD1-N 3.35Å; G59-G61 PolarHBondContact O-N 3.44Å; G59-A399 PolarHBondContact N-O 3.36Å; G59-I401 WeakPolarHBondContact O-CG1 3.36Å; G59-R420 PolarHBondContact O-NH2 3.11Å
60	Q	87.4	Confident	94.7	Very high	47 Å²	47	52.4 Å²	52.4	22%	0.22	28%	0.277	C	S	.	.	S	Bend	trans	-72.1	123.8	-175.4	-77.1	179.5	-23	0	0	113	N57 F62 C422 K425	N57-Q60 PolarHBondContact ND2-OE1 2.65Å; N57-Q60 PolarHBondContact OD1-N 2.83Å; Q60-F62 VanDerWaalsContact C-N 3.26Å; Q60-F62 HydrophobicContact CB-CD1 4.11Å; Q60-F62 HydrophobicContact CB-CE1 3.69Å; Q60-F62 HydrophobicContact CB-CZ 4.01Å; Q60-F62 HydrophobicContact CG-CE1 4.04Å; Q60-F62 HydrophobicContact CG-CZ 4.41Å; Q60-F62 PolarHBondContact O-N 3.45Å; Q60-C422 PolarHBondContact O-SG 3Å; Q60-C422 VanDerWaalsContact O-SG 3.4Å; Q60-K425 PolarHBondContact O-NZ 2.93Å
61	G	89.6	Confident	94.9	Very high	16 Å²	16	52.2 Å²	52.2	17%	0.165	28%	0.275	C	S	.	.			trans	-81.5	43.8	-173	0	0	0	0	0	116.1	G59 K270	G59-G61 PolarHBondContact O-N 3.44Å; G61-K270 PolarHBondContact O-NZ 3.13Å
62	F	89.3	Confident	95.2	Very high	79 Å²	79	52 Å²	52	35%	0.346	26%	0.263	S	S	.	.	S	Bend	trans	-136.5	154.1	174.2	57.4	-107.1	0	0	0	111.9	Q60 T275 K425	Q60-F62 VanDerWaalsContact C-N 3.26Å; Q60-F62 HydrophobicContact CB-CD1 4.11Å; Q60-F62 HydrophobicContact CB-CE1 3.69Å; Q60-F62 HydrophobicContact CB-CZ 4.01Å; Q60-F62 HydrophobicContact CG-CE1 4.04Å; Q60-F62 HydrophobicContact CG-CZ 4.41Å; Q60-F62 PolarHBondContact O-N 3.45Å; F62-T275 HydrophobicContact CB-CG2 3.75Å; F62-T275 WeakPolarHBondContact CB-OG1 3.21Å; F62-K425 PolarHBondContact O-NZ 3.2Å
63	P	94.7	Very high	95.4	Very high	13 Å²	13	50.2 Å²	50.2	8%	0.084	25%	0.254	C	S	.	.			trans	-63.5	136.8	169.4	-16.1	30.1	0	0	0	111.7	F65 Y361 V424	P63-F65 HydrophobicContact CB-CD1 4.07Å; P63-F65 HydrophobicContact CB-CD2 3.95Å; P63-F65 HydrophobicContact CB-CE1 3.89Å; P63-F65 HydrophobicContact CB-CE2 3.75Å; P63-F65 HydrophobicContact CB-CG 4.11Å; P63-F65 HydrophobicContact CB-CZ 3.74Å; P63-F65 HydrophobicContact CG-CE2 4.3Å; P63-F65 HydrophobicContact CG-CZ 4.25Å; P63-Y361 HydrophobicContact CG-CE2 4.47Å; P63-V424 HydrophobicContact CB-CG1 4.09Å; P63-V424 HydrophobicContact CG-CG1 3.8Å
64	D	94.9	Very high	95.5	Very high	62 Å²	62	45.1 Å²	45.1	33%	0.332	24%	0.236	S	C	.	.	S	Bend	trans	-90.3	-3.2	165.7	54.9	2.1	0	0	0	112.6	K425 E426 T429	D64-K425 VanDerWaalsContact OD1-C 3.28Å; D64-K425 WeakPolarHBondContact OD1-CA 3.14Å; D64-K425 WeakPolarHBondContact OD2-CD 3.36Å; D64-E426 PolarHBondContact OD1-N 2.7Å; D64-T429 WeakPolarHBondContact OD2-CB 3.49Å; D64-T429 PolarHBondContact OD2-OG1 3.15Å
65	F	95.1	Very high	95.7	Very high	35 Å²	35	39 Å²	39	15%	0.154	21%	0.209	C	C	.	.	S	Bend	trans	-95.2	159.3	169	55.8	-99.5	0	0	0	112.9	P63 L332 M335 V424 E426	P63-F65 HydrophobicContact CB-CD1 4.07Å; P63-F65 HydrophobicContact CB-CD2 3.95Å; P63-F65 HydrophobicContact CB-CE1 3.89Å; P63-F65 HydrophobicContact CB-CE2 3.75Å; P63-F65 HydrophobicContact CB-CG 4.11Å; P63-F65 HydrophobicContact CB-CZ 3.74Å; P63-F65 HydrophobicContact CG-CE2 4.3Å; P63-F65 HydrophobicContact CG-CZ 4.25Å; F65-L332 HydrophobicContact CZ-CD1 4.39Å; F65-M335 HydrophobicContact CE1-CE 3.98Å; F65-M335 HydrophobicContact CE2-CE 4.02Å; F65-M335 HydrophobicContact CZ-CE 3.53Å; F65-V424 HydrophobicContact CE1-CG1 3.88Å; F65-V424 HydrophobicContact CZ-CG1 3.72Å; F65-E426 HydrophobicContact CB-CG 3.89Å
66	S	96.7	Very high	95.8	Very high	85 Å²	85	42.1 Å²	42.1	59%	0.594	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-66.1	148.3	-178.9	-63.4	0	0	0	0	114.3
67	P	97.6	Very high	95.9	Very high	28 Å²	28	47.4 Å²	47.4	18%	0.182	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-55.1	159.8	166.2	-24.9	35.3	0	0	0	112.7	Q72 A274	P67-Q72 HydrophobicContact CB-CG 4.08Å; P67-Q72 PolarHBondContact O-NE2 3.36Å; P67-A274 HydrophobicContact CB-CB 4.19Å; P67-A274 HydrophobicContact CG-CB 3.8Å
68	P	97.6	Very high	96	Very high	19 Å²	19	46 Å²	46	12%	0.123	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-64.8	141.9	179.3	29.2	-34.8	0	0	0	111.5	F70 V71 Q72 F272 Y328	P68-F70 VanDerWaalsContact C-N 3.29Å; P68-F70 HydrophobicContact CB-CD1 3.84Å; P68-F70 HydrophobicContact CB-CE1 3.54Å; P68-F70 HydrophobicContact CB-CZ 4.36Å; P68-F70 HydrophobicContact CG-CD1 4.27Å; P68-F70 HydrophobicContact CG-CE1 3.71Å; P68-F70 HydrophobicContact CG-CZ 4.04Å; P68-F70 PolarHBondContact O-N 3.37Å; P68-F70 VanDerWaalsContact O-N 3.13Å; P68-V71 HydrophobicContact CG-CB 4.25Å; P68-V71 HydrophobicContact CG-CG2 3.85Å; P68-V71 WeakPolarHBondContact O-CB 3.33Å; P68-V71 PolarHBondContact O-N 3.23Å; P68-Q72 PolarHBondContact O-N 3.19Å; P68-F272 VanDerWaalsContact CD-O 3.3Å; P68-F272 WeakPolarHBondContact CD-O 3.49Å; P68-Y328 HydrophobicContact CB-CD2 3.8Å; P68-Y328 HydrophobicContact CB-CE2 3.69Å; P68-Y328 HydrophobicContact CB-CG 4.32Å; P68-Y328 HydrophobicContact CG-CD1 4Å; P68-Y328 HydrophobicContact CG-CD2 3.96Å; P68-Y328 HydrophobicContact CG-CE1 3.84Å; P68-Y328 HydrophobicContact CG-CE2 3.82Å; P68-Y328 HydrophobicContact CG-CG 4.05Å
69	Q	98.3	Very high	96	Very high	114 Å²	114	49.1 Å²	49.1	53%	0.533	26%	0.262	S	S	.	.	H	α-helix	trans	-54.5	-39.9	-168.4	-168.9	63	44.6	0	0	113.7	V71 Q72 D73	Q69-V71 PolarHBondContact O-N 3.29Å; Q69-Q72 WeakPolarHBondContact O-CB 3.44Å; Q69-Q72 PolarHBondContact O-N 2.89Å; Q69-Q72 VanDerWaalsContact O-N 3.15Å; Q69-D73 PolarHBondContact NE2-OD1 2.84Å; Q69-D73 WeakPolarHBondContact O-CB 3.42Å; Q69-D73 VanDerWaalsContact O-CG 3.27Å; Q69-D73 PolarHBondContact O-N 3.35Å
70	F	98.3	Very high	96.2	Very high	48 Å²	48	54 Å²	54	21%	0.211	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-31.8	-179.5	68.6	-90.2	0	0	0	113.4	P68 A74 F272 R317 E318 Y328	P68-F70 VanDerWaalsContact C-N 3.29Å; P68-F70 HydrophobicContact CB-CD1 3.84Å; P68-F70 HydrophobicContact CB-CE1 3.54Å; P68-F70 HydrophobicContact CB-CZ 4.36Å; P68-F70 HydrophobicContact CG-CD1 4.27Å; P68-F70 HydrophobicContact CG-CE1 3.71Å; P68-F70 HydrophobicContact CG-CZ 4.04Å; P68-F70 PolarHBondContact O-N 3.37Å; P68-F70 VanDerWaalsContact O-N 3.13Å; F70-A74 WeakPolarHBondContact O-CB 3.28Å; F70-A74 PolarHBondContact O-N 3.06Å; F70-F272 HydrophobicContact CE2-CE1 4.24Å; F70-F272 HydrophobicContact CZ-CD1 4.38Å; F70-F272 HydrophobicContact CZ-CE1 4.3Å; F70-R317 HydrophobicContact CD2-CB 4.38Å; F70-R317 HydrophobicContact CD2-CG 4.45Å; F70-R317 HydrophobicContact CE2-CB 4.37Å; F70-R317 VanDerWaalsContact CE2-CD 3.46Å; F70-R317 HydrophobicContact CE2-CG 4.49Å; F70-R317 VanDerWaalsContact CG-CD 3.49Å; F70-E318 HydrophobicContact CZ-CG 4.45Å; F70-E318 WeakPolarHBondContact CZ-OE1 3.44Å; F70-Y328 HydrophobicContact CE1-CG 4.37Å; F70-Y328 HydrophobicContact CZ-CG 4.41Å
71	V	97.9	Very high	96.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-77.7	-43.6	177.3	177.8	0	0	0	0	109.9	P68 Q69 D73 A74 F75 F272 W277	P68-V71 HydrophobicContact CG-CB 4.25Å; P68-V71 HydrophobicContact CG-CG2 3.85Å; P68-V71 WeakPolarHBondContact O-CB 3.33Å; P68-V71 PolarHBondContact O-N 3.23Å; Q69-V71 PolarHBondContact O-N 3.29Å; V71-D73 PolarHBondContact O-N 3.34Å; V71-A74 PolarHBondContact O-N 3.02Å; V71-F75 PolarHBondContact O-N 2.92Å; V71-F75 VanDerWaalsContact O-N 3.09Å; V71-F272 HydrophobicContact CG1-CB 4.16Å; V71-F272 HydrophobicContact CG1-CG 4.47Å; V71-F272 HydrophobicContact CG2-CB 4.16Å; V71-F272 HydrophobicContact CG2-CD1 3.69Å; V71-F272 HydrophobicContact CG2-CE1 4.26Å; V71-F272 HydrophobicContact CG2-CG 3.97Å; V71-W277 HydrophobicContact CB-CH2 4.42Å; V71-W277 HydrophobicContact CG1-CE3 4.44Å; V71-W277 HydrophobicContact CG1-CH2 3.2Å; V71-W277 HydrophobicContact CG1-CZ2 4.09Å; V71-W277 HydrophobicContact CG1-CZ3 3.41Å; V71-W277 VanDerWaalsContact CG1-CZ3 3.41Å; V71-W277 WeakPolarHBondContact O-CH2 3.42Å
72	Q	98.6	Very high	96.5	Very high	57 Å²	57	54.8 Å²	54.8	27%	0.266	32%	0.317	S	S	.	.	H	α-helix	trans	-57.2	-49.2	173.5	-61.3	-171.9	62.1	0	0	111.7	P67 P68 Q69 A74 F75 C76	P67-Q72 HydrophobicContact CB-CG 4.08Å; P67-Q72 PolarHBondContact O-NE2 3.36Å; P68-Q72 PolarHBondContact O-N 3.19Å; Q69-Q72 WeakPolarHBondContact O-CB 3.44Å; Q69-Q72 PolarHBondContact O-N 2.89Å; Q69-Q72 VanDerWaalsContact O-N 3.15Å; Q72-A74 VanDerWaalsContact C-N 3.31Å; Q72-A74 PolarHBondContact O-N 3.44Å; Q72-F75 PolarHBondContact O-N 3.08Å; Q72-F75 VanDerWaalsContact O-N 3.11Å; Q72-C76 PolarHBondContact O-N 2.87Å; Q72-C76 PolarHBondContact O-SG 2.75Å
73	D	98.6	Very high	96.8	Very high	62 Å²	62	56 Å²	56	33%	0.332	33%	0.332	S	S	.	.	H	α-helix	trans	-59	-41.6	178	-71.1	-10.2	0	0	0	111.8	Q69 V71 F75 C76 K77	Q69-D73 PolarHBondContact NE2-OD1 2.84Å; Q69-D73 WeakPolarHBondContact O-CB 3.42Å; Q69-D73 VanDerWaalsContact O-CG 3.27Å; Q69-D73 PolarHBondContact O-N 3.35Å; V71-D73 PolarHBondContact O-N 3.34Å; D73-F75 VanDerWaalsContact C-N 3.31Å; D73-F75 PolarHBondContact O-N 2.99Å; D73-C76 PolarHBondContact O-N 2.91Å; D73-K77 VanDerWaalsContact O-CB 3.3Å; D73-K77 WeakPolarHBondContact O-CB 3.13Å; D73-K77 WeakPolarHBondContact O-CD 3.49Å; D73-K77 WeakPolarHBondContact O-CG 3.38Å; D73-K77 PolarHBondContact O-N 3.06Å
74	A	98.4	Very high	96.7	Very high	7 Å²	7	62.7 Å²	62.7	6%	0.058	36%	0.362	C	S	.	.	H	α-helix	trans	-63.2	-37.1	177.2	0	0	0	0	0	111.9	F70 V71 Q72 A78 A310 H313	F70-A74 WeakPolarHBondContact O-CB 3.28Å; F70-A74 PolarHBondContact O-N 3.06Å; V71-A74 PolarHBondContact O-N 3.02Å; Q72-A74 VanDerWaalsContact C-N 3.31Å; Q72-A74 PolarHBondContact O-N 3.44Å; A74-A78 WeakPolarHBondContact O-CB 3.36Å; A74-A78 PolarHBondContact O-N 2.86Å; A74-A310 HydrophobicContact CB-CB 4.18Å; A74-H313 HydrophobicContact CB-CB 3.78Å
75	F	98.4	Very high	96.9	Very high	64 Å²	64	61.5 Å²	61.5	28%	0.281	36%	0.355	S	S	.	.	H	α-helix	trans	-73.2	-42.7	176.6	-167.5	-131	0	0	0	112.8	V71 Q72 D73 K77 A78 V79 W277 A306 A307 A310	V71-F75 PolarHBondContact O-N 2.92Å; V71-F75 VanDerWaalsContact O-N 3.09Å; Q72-F75 PolarHBondContact O-N 3.08Å; Q72-F75 VanDerWaalsContact O-N 3.11Å; D73-F75 VanDerWaalsContact C-N 3.31Å; D73-F75 PolarHBondContact O-N 2.99Å; F75-K77 VanDerWaalsContact C-N 3.29Å; F75-K77 PolarHBondContact O-N 2.8Å; F75-A78 PolarHBondContact O-N 3.47Å; F75-V79 HydrophobicContact CD2-CG2 4.36Å; F75-V79 HydrophobicContact CE2-CG2 4.15Å; F75-V79 HydrophobicContact CZ-CG2 4.31Å; F75-V79 WeakPolarHBondContact O-CG2 3.39Å; F75-V79 PolarHBondContact O-N 2.76Å; F75-W277 HydrophobicContact CB-CH2 3.5Å; F75-W277 HydrophobicContact CB-CZ2 3.59Å; F75-W277 HydrophobicContact CB-CZ3 4.44Å; F75-W277 HydrophobicContact CD1-CH2 4.41Å; F75-W277 AromaticContact CD1-CZ2 3.74Å; F75-W277 HydrophobicContact CD1-CZ2 3.74Å; F75-W277 AromaticContact CG-CH2 3.94Å; F75-W277 HydrophobicContact CG-CH2 3.94Å; F75-W277 AromaticContact CG-CZ2 3.74Å; F75-W277 HydrophobicContact CG-CZ2 3.74Å; F75-A306 HydrophobicContact CE2-CB 4.14Å; F75-A307 HydrophobicContact CE2-CB 3.89Å; F75-A310 HydrophobicContact CB-CB 3.64Å; F75-A310 HydrophobicContact CD2-CB 3.89Å; F75-A310 HydrophobicContact CG-CB 4.2Å
76	C	98.3	Very high	97	Very high	79 Å²	79	65.4 Å²	65.4	53%	0.534	37%	0.374	S	S	.	.	H	α-helix	trans	-58.6	-41.9	171.9	-68.8	0	0	0	0	111.7	Q72 D73 S80	Q72-C76 PolarHBondContact O-N 2.87Å; Q72-C76 PolarHBondContact O-SG 2.75Å; D73-C76 PolarHBondContact O-N 2.91Å; C76-S80 VanDerWaalsContact O-CB 3.28Å; C76-S80 WeakPolarHBondContact O-CB 3.26Å; C76-S80 PolarHBondContact O-N 2.96Å; C76-S80 PolarHBondContact O-OG 3.22Å
77	K	98.3	Very high	97	Very high	145 Å²	145	67.1 Å²	67.1	63%	0.63	37%	0.372	S	S	*	.	H	α-helix	trans	-65.4	-42.5	174.6	-74.2	165.1	-173.8	166.8	0	112.2	D73 F75 S80 G81	D73-K77 VanDerWaalsContact O-CB 3.3Å; D73-K77 WeakPolarHBondContact O-CB 3.13Å; D73-K77 WeakPolarHBondContact O-CD 3.49Å; D73-K77 WeakPolarHBondContact O-CG 3.38Å; D73-K77 PolarHBondContact O-N 3.06Å; F75-K77 VanDerWaalsContact C-N 3.29Å; F75-K77 PolarHBondContact O-N 2.8Å; K77-S80 CarbonylContact O-C 3.5Å; K77-S80 PolarHBondContact O-N 2.87Å; K77-G81 WeakPolarHBondContact O-CA 2.91Å; K77-G81 PolarHBondContact O-N 2.83Å
78	A	97.8	Very high	97.1	Very high	6 Å²	6	74.6 Å²	74.6	5%	0.05	40%	0.398	C	S	.	.	H	α-helix	trans	-63.4	-47.5	177.2	0	0	0	0	0	111.5	A74 F75 S80 G81 M85 A306 E309	A74-A78 WeakPolarHBondContact O-CB 3.36Å; A74-A78 PolarHBondContact O-N 2.86Å; F75-A78 PolarHBondContact O-N 3.47Å; A78-S80 VanDerWaalsContact C-N 3.25Å; A78-S80 PolarHBondContact O-N 2.7Å; A78-G81 PolarHBondContact O-N 2.63Å; A78-G81 VanDerWaalsContact O-N 3.09Å; A78-M85 WeakPolarHBondContact O-CB 3.5Å; A78-M85 WeakPolarHBondContact O-CG 3.15Å; A78-A306 HydrophobicContact CB-CB 3.94Å; A78-A306 WeakPolarHBondContact CB-O 3.36Å; A78-E309 HydrophobicContact CB-CB 4.04Å; A78-E309 HydrophobicContact CB-CG 3.92Å
79	V	97.7	Very high	97.1	Very high	65 Å²	65	75 Å²	75	39%	0.394	40%	0.4	S	S	.	.	H	α-helix	trans	-63.9	-30.2	176	175	0	0	0	0	112.2	F75 H86 A306	F75-V79 HydrophobicContact CD2-CG2 4.36Å; F75-V79 HydrophobicContact CE2-CG2 4.15Å; F75-V79 HydrophobicContact CZ-CG2 4.31Å; F75-V79 WeakPolarHBondContact O-CG2 3.39Å; F75-V79 PolarHBondContact O-N 2.76Å; V79-H86 PolarHBondContact O-CE1 3.42Å; V79-H86 PolarHBondContact O-NE2 2.9Å; V79-A306 HydrophobicContact CG2-CB 4.03Å
80	S	97.3	Very high	97.1	Very high	102 Å²	102	72.7 Å²	72.7	71%	0.713	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	0.6	175.6	-49	0	0	0	0	113.7	C76 K77 A78 G82	C76-S80 VanDerWaalsContact O-CB 3.28Å; C76-S80 WeakPolarHBondContact O-CB 3.26Å; C76-S80 PolarHBondContact O-N 2.96Å; C76-S80 PolarHBondContact O-OG 3.22Å; K77-S80 CarbonylContact O-C 3.5Å; K77-S80 PolarHBondContact O-N 2.87Å; A78-S80 VanDerWaalsContact C-N 3.25Å; A78-S80 PolarHBondContact O-N 2.7Å; S80-G82 PolarHBondContact O-N 2.95Å; S80-G82 VanDerWaalsContact O-N 3.09Å
81	G	88	Confident	97.1	Very high	53 Å²	53	71.1 Å²	71.1	55%	0.546	38%	0.383	S	S	.	.	S	Bend	trans	-78.2	11.3	-168.2	0	0	0	0	0	115.4	K77 A78	K77-G81 WeakPolarHBondContact O-CA 2.91Å; K77-G81 PolarHBondContact O-N 2.83Å; A78-G81 PolarHBondContact O-N 2.63Å; A78-G81 VanDerWaalsContact O-N 3.09Å
82	G	94.2	Very high	97.2	Very high	28 Å²	28	73 Å²	73	29%	0.289	39%	0.391	S	S	.	.			trans	88.7	179.7	-178.1	0	0	0	0	0	114.2	S80 Q84 M85	S80-G82 PolarHBondContact O-N 2.95Å; S80-G82 VanDerWaalsContact O-N 3.09Å; G82-Q84 VanDerWaalsContact C-N 3.27Å; G82-Q84 PolarHBondContact O-N 2.87Å; G82-Q84 VanDerWaalsContact O-N 3.07Å; G82-M85 PolarHBondContact O-N 2.66Å
83	P	95.4	Very high	97.2	Very high	103 Å²	103	70.4 Å²	70.4	67%	0.669	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-60	-31	-161.7	20.8	-33.3	0	0	0	114.5	M85 H86 Q87	P83-M85 VanDerWaalsContact C-N 3.29Å; P83-M85 PolarHBondContact O-N 3.08Å; P83-H86 PolarHBondContact O-N 2.78Å; P83-H86 VanDerWaalsContact O-N 3.15Å; P83-Q87 WeakPolarHBondContact O-CG 3.41Å
84	Q	94.3	Very high	97.2	Very high	154 Å²	154	68.5 Å²	68.5	72%	0.72	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-62	-32.8	-176.8	-63.1	-174.6	12.7	0	0	113.2	G82 H86 Q87	G82-Q84 VanDerWaalsContact C-N 3.27Å; G82-Q84 PolarHBondContact O-N 2.87Å; G82-Q84 VanDerWaalsContact O-N 3.07Å; Q84-H86 PolarHBondContact O-N 3.41Å; Q84-Q87 PolarHBondContact O-N 2.81Å; Q84-Q87 VanDerWaalsContact O-N 3.13Å
85	M	97.2	Very high	97.2	Very high	38 Å²	38	70.2 Å²	70.2	19%	0.187	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-72.4	-14	-179.6	-67.5	-64.5	125.6	0	0	113.5	A78 G82 P83 T305 E309	A78-M85 WeakPolarHBondContact O-CB 3.5Å; A78-M85 WeakPolarHBondContact O-CG 3.15Å; G82-M85 PolarHBondContact O-N 2.66Å; P83-M85 VanDerWaalsContact C-N 3.29Å; P83-M85 PolarHBondContact O-N 3.08Å; M85-T305 HydrophobicContact SD-CG2 4.1Å; M85-E309 HydrophobicContact SD-CB 4.15Å; M85-E309 HydrophobicContact SD-CG 4.12Å
86	H	97.3	Very high	97.2	Very high	117 Å²	117	72 Å²	72	54%	0.542	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-95.3	-5.4	173.1	-54.1	-78.5	0	0	0	113.4	V79 P83 Q84	V79-H86 PolarHBondContact O-CE1 3.42Å; V79-H86 PolarHBondContact O-NE2 2.9Å; P83-H86 PolarHBondContact O-N 2.78Å; P83-H86 VanDerWaalsContact O-N 3.15Å; Q84-H86 PolarHBondContact O-N 3.41Å
87	Q	98.1	Very high	97.2	Very high	120 Å²	120	68.3 Å²	68.3	56%	0.561	36%	0.358	S	S	*	.	S	Bend	trans	-101.1	171.6	179.3	-56.7	-48.5	-53.1	0	0	111.9	P83 Q84 T305	P83-Q87 WeakPolarHBondContact O-CG 3.41Å; Q84-Q87 PolarHBondContact O-N 2.81Å; Q84-Q87 VanDerWaalsContact O-N 3.13Å; Q87-T305 PolarHBondContact O-OG1 3.08Å
88	Y	98.5	Very high	97.3	Very high	186 Å²	186	61.4 Å²	61.4	73%	0.729	33%	0.328	S	S	*	.			trans	-58.9	145.1	174.1	-61.5	-56.7	0	0	0	112.3	H302	Y88-H302 HydrophobicContact CD1-CB 4.09Å; Y88-H302 AromaticContact CD1-CE1 3.78Å; Y88-H302 AromaticContact CD1-CG 3.68Å; Y88-H302 AromaticContact CD1-ND1 3.41Å; Y88-H302 WeakPolarHBondContact CD1-ND1 3.46Å; Y88-H302 AromaticContact CE1-ND1 3.67Å; Y88-H302 AromaticContact CG-CE1 3.88Å; Y88-H302 AromaticContact CG-ND1 3.99Å
89	T	98.4	Very high	97.3	Very high	27 Å²	27	66.5 Å²	66.5	17%	0.166	35%	0.349	C	S	.	.			trans	-113.1	-170.2	168.6	-162.7	0	0	0	0	110.1	A91 H94 P95 H302 T305	T89-A91 PolarHBondContact O-N 3.38Å; T89-H94 HydrophobicContact CG2-CB 3.91Å; T89-H94 PolarHBondContact OG1-ND1 3.14Å; T89-P95 WeakPolarHBondContact OG1-CD 3.28Å; T89-H302 PolarHBondContact O-CD2 3.14Å; T89-H302 VanDerWaalsContact O-CD2 3.24Å; T89-T305 HydrophobicContact CG2-CG2 4.33Å
90	R	98.5	Very high	97.4	Very high	66 Å²	66	63.7 Å²	63.7	25%	0.249	33%	0.333	C	S	.	.			trans	-56.5	128.4	175.3	173	-179	-178.8	-101	5.5	110.2	F92 G93 P95 F116	R90-F92 PolarHBondContact O-N 3.36Å; R90-G93 WeakPolarHBondContact CB-O 3.39Å; R90-G93 CarbonylContact O-C 3.52Å; R90-G93 PolarHBondContact O-N 2.74Å; R90-P95 HydrophobicContact CB-CG 4.16Å; R90-F116 PolarHBondContact NH2-O 2.8Å
91	A	98.3	Very high	97.4	Very high	15 Å²	15	58.9 Å²	58.9	12%	0.124	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43	-59.6	-177.5	0	0	0	0	0	113.7	T89 G93 Y301	T89-A91 PolarHBondContact O-N 3.38Å; A91-G93 PolarHBondContact O-N 3.29Å; A91-Y301 CarbonylContact C-O 3.43Å; A91-Y301 WeakPolarHBondContact CA-O 3.47Å; A91-Y301 HydrophobicContact CB-CD1 3.78Å; A91-Y301 HydrophobicContact CB-CE1 3.71Å; A91-Y301 VanDerWaalsContact CB-O 3.29Å; A91-Y301 WeakPolarHBondContact CB-O 3.47Å
92	F	98.8	Very high	98	Very high	40 Å²	40	56.5 Å²	56.5	18%	0.175	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	11.9	-175.7	-46	-50.9	0	0	0	115.1	R90 L120 V121 K293 Q297	R90-F92 PolarHBondContact O-N 3.36Å; F92-L120 HydrophobicContact CB-CD1 3.8Å; F92-L120 HydrophobicContact CD1-CD1 4.07Å; F92-L120 HydrophobicContact CG-CD1 4.37Å; F92-V121 PolarHBondContact O-N 3.35Å; F92-V121 VanDerWaalsContact O-N 3.08Å; F92-K293 HydrophobicContact CB-CG 4.31Å; F92-K293 HydrophobicContact CD1-CB 3.88Å; F92-K293 HydrophobicContact CD1-CG 3.68Å; F92-K293 HydrophobicContact CD2-CD 4.1Å; F92-K293 HydrophobicContact CD2-CG 4.15Å; F92-K293 HydrophobicContact CE1-CB 3.66Å; F92-K293 HydrophobicContact CE1-CG 3.99Å; F92-K293 WeakPolarHBondContact CE1-O 3.19Å; F92-K293 HydrophobicContact CE2-CD 4.35Å; F92-K293 HydrophobicContact CE2-CG 4.43Å; F92-K293 HydrophobicContact CG-CB 4.39Å; F92-K293 HydrophobicContact CG-CD 4.19Å; F92-K293 HydrophobicContact CG-CG 3.77Å; F92-K293 HydrophobicContact CZ-CB 4.01Å; F92-K293 HydrophobicContact CZ-CG 4.35Å; F92-Q297 HydrophobicContact CE1-CB 4.12Å
93	G	98.8	Very high	98.2	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.01	28%	0.282	C	S	.	.	S	Bend	trans	131.5	143	175.3	0	0	0	0	0	113.7	R90 A91	R90-G93 WeakPolarHBondContact CB-O 3.39Å; R90-G93 CarbonylContact O-C 3.52Å; R90-G93 PolarHBondContact O-N 2.74Å; A91-G93 PolarHBondContact O-N 3.29Å
94	H	98.8	Very high	98.3	Very high	22 Å²	22	55.3 Å²	55.3	10%	0.102	25%	0.251	C	S	.	.			trans	-55.5	129.2	179.2	-175	62.3	0	0	0	111.1	T89 R96 L97 V98 Q308 E309	T89-H94 HydrophobicContact CG2-CB 3.91Å; T89-H94 PolarHBondContact OG1-ND1 3.14Å; H94-R96 VanDerWaalsContact C-N 3.26Å; H94-R96 PolarHBondContact CD2-N 2.91Å; H94-R96 PolarHBondContact O-N 3.01Å; H94-R96 VanDerWaalsContact O-N 3.12Å; H94-L97 HydrophobicContact CB-CB 4.26Å; H94-L97 PolarHBondContact O-N 3.17Å; H94-V98 PolarHBondContact O-N 3.41Å; H94-Q308 HydrophobicContact CB-CB 3.6Å; H94-Q308 HydrophobicContact CB-CG 4.33Å; H94-E309 IonicContact CD2-OE2 3.73Å; H94-E309 IonicContact NE2-OE2 2.74Å; H94-E309 PolarHBondContact NE2-OE2 3.01Å
95	P	98.7	Very high	98.5	Very high	44 Å²	44	48.1 Å²	48.1	29%	0.286	22%	0.217	S	C	.	.	H	α-helix	trans	-58.3	-28.4	-172.2	-29.6	37	0	0	0	115.9	T89 R90 K99	T89-P95 WeakPolarHBondContact OG1-CD 3.28Å; R90-P95 HydrophobicContact CB-CG 4.16Å; P95-K99 WeakPolarHBondContact O-CD 3.47Å; P95-K99 VanDerWaalsContact O-CG 3.23Å; P95-K99 WeakPolarHBondContact O-CG 3.16Å
96	R	98.6	Very high	98.6	Very high	102 Å²	102	47.5 Å²	47.5	39%	0.385	22%	0.217	S	C	.	.	H	α-helix	trans	-71	-52.1	172.8	-169.1	-179.3	176.8	119.1	9.6	111	H94 V98 K99 S100 E309 S312 D316	H94-R96 VanDerWaalsContact C-N 3.26Å; H94-R96 PolarHBondContact CD2-N 2.91Å; H94-R96 PolarHBondContact O-N 3.01Å; H94-R96 VanDerWaalsContact O-N 3.12Å; R96-V98 PolarHBondContact O-N 3.03Å; R96-K99 WeakPolarHBondContact O-CB 3.47Å; R96-K99 PolarHBondContact O-N 3.1Å; R96-K99 VanDerWaalsContact O-N 3.13Å; R96-S100 PolarHBondContact O-N 3.3Å; R96-S100 PolarHBondContact O-OG 3.08Å; R96-E309 WeakPolarHBondContact CD-OE2 3.4Å; R96-S312 WeakPolarHBondContact CD-OG 3.06Å; R96-S312 WeakPolarHBondContact CG-OG 3.31Å; R96-S312 PolarHBondContact NE-OG 3.5Å; R96-D316 IonicContact CZ-OD2 3.15Å; R96-D316 IonicContact NE-OD2 3.59Å; R96-D316 PolarHBondContact NE-OD2 2.98Å; R96-D316 VanDerWaalsContact NE-OD2 3.15Å; R96-D316 IonicContact NH2-OD2 3.22Å; R96-D316 PolarHBondContact NH2-OD2 3.14Å
97	L	98.9	Very high	98.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.3	-48.5	-179	178.4	58.9	0	0	0	112.7	H94 K99 S100 L101 V121 V279 Q308 V311 S312 F315	H94-L97 HydrophobicContact CB-CB 4.26Å; H94-L97 PolarHBondContact O-N 3.17Å; L97-K99 PolarHBondContact O-N 3.35Å; L97-S100 PolarHBondContact O-N 2.77Å; L97-L101 HydrophobicContact CD1-CD1 3.9Å; L97-L101 HydrophobicContact CD1-CD2 4.37Å; L97-L101 HydrophobicContact CD1-CG 3.85Å; L97-L101 HydrophobicContact CD2-CD1 4.45Å; L97-L101 HydrophobicContact CG-CD1 3.79Å; L97-L101 HydrophobicContact CG-CG 4.22Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 VanDerWaalsContact O-CG 3.29Å; L97-L101 WeakPolarHBondContact O-CG 3.36Å; L97-L101 PolarHBondContact O-N 3.47Å; L97-V121 HydrophobicContact CD2-CG1 3.86Å; L97-V121 HydrophobicContact CD2-CG2 3.76Å; L97-V121 HydrophobicContact CG-CG2 4.16Å; L97-V279 HydrophobicContact CD2-CG1 3.94Å; L97-Q308 HydrophobicContact CB-CB 4.29Å; L97-Q308 HydrophobicContact CD2-CB 3.63Å; L97-Q308 HydrophobicContact CD2-CG 3.71Å; L97-V311 HydrophobicContact CD1-CB 4.13Å; L97-V311 HydrophobicContact CD1-CG1 3.64Å; L97-S312 VanDerWaalsContact CA-CB 3.48Å; L97-F315 HydrophobicContact CD1-CD2 4.47Å
98	V	98.9	Very high	98.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-31.6	-178.8	-66.3	0	0	0	0	112.8	H94 R96 A102 P115 F116 V119 V121	H94-V98 PolarHBondContact O-N 3.41Å; R96-V98 PolarHBondContact O-N 3.03Å; V98-A102 WeakPolarHBondContact O-CB 3.45Å; V98-A102 PolarHBondContact O-N 3.13Å; V98-P115 HydrophobicContact CB-CB 4.26Å; V98-P115 WeakPolarHBondContact CB-O 3.34Å; V98-P115 HydrophobicContact CG2-CB 4.16Å; V98-P115 WeakPolarHBondContact CG2-O 3.28Å; V98-P115 WeakPolarHBondContact O-CB 3.46Å; V98-F116 HydrophobicContact CG2-CD1 4.26Å; V98-F116 HydrophobicContact CG2-CE1 4.1Å; V98-V119 HydrophobicContact CB-CB 4.42Å; V98-V119 HydrophobicContact CB-CG1 4.27Å; V98-V119 HydrophobicContact CG1-CB 4.39Å; V98-V119 HydrophobicContact CG1-CG1 3.99Å; V98-V121 HydrophobicContact CG1-CG2 3.66Å
99	K	98.9	Very high	98	Very high	113 Å²	113	36.3 Å²	36.3	49%	0.491	17%	0.17	S	C	.	.	H	α-helix	trans	-71.2	-43.8	173.6	-71.2	175.6	-176	-174.6	0	112.2	P95 R96 L97 A102 K103 P115	P95-K99 WeakPolarHBondContact O-CD 3.47Å; P95-K99 VanDerWaalsContact O-CG 3.23Å; P95-K99 WeakPolarHBondContact O-CG 3.16Å; R96-K99 WeakPolarHBondContact O-CB 3.47Å; R96-K99 PolarHBondContact O-N 3.1Å; R96-K99 VanDerWaalsContact O-N 3.13Å; L97-K99 PolarHBondContact O-N 3.35Å; K99-A102 PolarHBondContact O-N 3.16Å; K99-K103 WeakPolarHBondContact O-CB 3.45Å; K99-K103 PolarHBondContact O-N 3.45Å; K99-P115 HydrophobicContact CG-CB 3.99Å; K99-P115 HydrophobicContact CG-CG 4.11Å
100	S	98.9	Very high	97.7	Very high	7 Å²	7	38.4 Å²	38.4	5%	0.049	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-44.5	175.7	-55.9	0	0	0	0	111.1	R96 L97 F104 D316	R96-S100 PolarHBondContact O-N 3.3Å; R96-S100 PolarHBondContact O-OG 3.08Å; L97-S100 PolarHBondContact O-N 2.77Å; S100-F104 WeakPolarHBondContact O-CB 3.3Å; S100-F104 PolarHBondContact O-N 3.07Å; S100-D316 VanDerWaalsContact CB-OD1 3.31Å; S100-D316 WeakPolarHBondContact CB-OD1 3.35Å; S100-D316 PolarHBondContact OG-OD1 3.03Å
101	L	98.9	Very high	97.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.3	-54	174.5	-69.7	171	0	0	0	111.5	L97 K103 F104 F105 V119 V121 W281 F315	L97-L101 HydrophobicContact CD1-CD1 3.9Å; L97-L101 HydrophobicContact CD1-CD2 4.37Å; L97-L101 HydrophobicContact CD1-CG 3.85Å; L97-L101 HydrophobicContact CD2-CD1 4.45Å; L97-L101 HydrophobicContact CG-CD1 3.79Å; L97-L101 HydrophobicContact CG-CG 4.22Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 VanDerWaalsContact O-CG 3.29Å; L97-L101 WeakPolarHBondContact O-CG 3.36Å; L97-L101 PolarHBondContact O-N 3.47Å; L101-K103 PolarHBondContact O-N 2.86Å; L101-F104 PolarHBondContact O-N 2.82Å; L101-F105 HydrophobicContact CB-CD2 4.4Å; L101-F105 HydrophobicContact CD2-CD2 4.28Å; L101-F105 HydrophobicContact CD2-CE2 3.78Å; L101-F105 WeakPolarHBondContact O-CB 3.43Å; L101-F105 VanDerWaalsContact O-CD2 3.27Å; L101-F105 WeakPolarHBondContact O-CD2 3.41Å; L101-F105 PolarHBondContact O-N 3.39Å; L101-V119 HydrophobicContact CB-CG1 4.37Å; L101-V119 HydrophobicContact CD1-CG1 3.98Å; L101-V121 HydrophobicContact CD1-CG2 4.31Å; L101-W281 HydrophobicContact CD1-CB 3.97Å; L101-W281 HydrophobicContact CD1-CD2 4.16Å; L101-W281 HydrophobicContact CD1-CE3 4.21Å; L101-W281 HydrophobicContact CD1-CG 4.05Å; L101-W281 HydrophobicContact CD2-CD2 3.68Å; L101-W281 HydrophobicContact CD2-CE3 3.81Å; L101-W281 HydrophobicContact CD2-CG 4.17Å; L101-W281 HydrophobicContact CD2-CH2 4.44Å; L101-W281 HydrophobicContact CD2-CZ2 4.29Å; L101-W281 HydrophobicContact CD2-CZ3 4.19Å; L101-F315 HydrophobicContact CD2-CD2 3.89Å; L101-F315 HydrophobicContact CD2-CE1 4.43Å; L101-F315 HydrophobicContact CD2-CE2 3.55Å; L101-F315 HydrophobicContact CD2-CG 4.46Å; L101-F315 HydrophobicContact CD2-CZ 3.85Å
102	A	98.9	Very high	97.4	Very high	4 Å²	4	46 Å²	46	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-47.9	-179.8	0	0	0	0	0	112.3	V98 K99 F104 S106 I113 P115 V119	V98-A102 WeakPolarHBondContact O-CB 3.45Å; V98-A102 PolarHBondContact O-N 3.13Å; K99-A102 PolarHBondContact O-N 3.16Å; A102-F104 PolarHBondContact O-N 2.85Å; A102-S106 VanDerWaalsContact O-CB 3.24Å; A102-S106 WeakPolarHBondContact O-CB 3.31Å; A102-S106 PolarHBondContact O-N 3.4Å; A102-S106 PolarHBondContact O-OG 3.29Å; A102-I113 HydrophobicContact CB-CB 4.33Å; A102-I113 HydrophobicContact CB-CG2 4.13Å; A102-I113 WeakPolarHBondContact CB-O 3.35Å; A102-P115 HydrophobicContact CB-CB 3.72Å; A102-P115 HydrophobicContact CB-CG 4.46Å; A102-V119 HydrophobicContact CB-CG2 4.19Å
103	K	98.7	Very high	97.4	Very high	103 Å²	103	44.3 Å²	44.3	45%	0.448	23%	0.226	S	C	.	.	H	α-helix	trans	-58.4	-46.4	176.2	178.4	-173	170.9	-165.5	0	111.8	K99 L101 Y319	K99-K103 WeakPolarHBondContact O-CB 3.45Å; K99-K103 PolarHBondContact O-N 3.45Å; L101-K103 PolarHBondContact O-N 2.86Å; K103-Y319 HydrophobicContact CD-CE2 4.41Å; K103-Y319 HydrophobicContact CG-CD2 4.26Å; K103-Y319 HydrophobicContact CG-CE2 3.86Å
104	F	98.6	Very high	97.4	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.013	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-52.1	-178.9	-166.5	-71	0	0	0	111.3	S100 L101 A102 S106 R107 V108 W241 F315 E318 Y319 F322 F329	S100-F104 WeakPolarHBondContact O-CB 3.3Å; S100-F104 PolarHBondContact O-N 3.07Å; L101-F104 PolarHBondContact O-N 2.82Å; A102-F104 PolarHBondContact O-N 2.85Å; F104-S106 VanDerWaalsContact C-N 3.34Å; F104-S106 PolarHBondContact O-N 2.72Å; F104-R107 WeakPolarHBondContact O-CB 3.44Å; F104-R107 PolarHBondContact O-N 3.47Å; F104-V108 HydrophobicContact CD1-CG2 3.9Å; F104-V108 HydrophobicContact CE1-CG2 3.67Å; F104-V108 PolarHBondContact O-N 2.87Å; F104-W241 AromaticContact CE1-CH2 3.53Å; F104-W241 HydrophobicContact CE1-CH2 3.53Å; F104-W241 AromaticContact CE1-CZ2 3.66Å; F104-W241 HydrophobicContact CE1-CZ2 3.66Å; F104-W241 HydrophobicContact CZ-CH2 4.04Å; F104-W241 HydrophobicContact CZ-CZ2 4.19Å; F104-F315 HydrophobicContact CB-CD1 4.38Å; F104-F315 AromaticContact CD2-CD1 3.95Å; F104-F315 HydrophobicContact CD2-CD1 3.95Å; F104-F315 HydrophobicContact CE2-CD1 4.44Å; F104-F315 HydrophobicContact CG-CD1 4.03Å; F104-F315 HydrophobicContact CG-CE1 4.5Å; F104-E318 HydrophobicContact CE2-CB 4.22Å; F104-Y319 HydrophobicContact CB-CD2 4.19Å; F104-Y319 AromaticContact CD2-CD2 3.88Å; F104-Y319 HydrophobicContact CD2-CD2 3.88Å; F104-Y319 HydrophobicContact CD2-CG 4.39Å; F104-Y319 HydrophobicContact CG-CD2 4.28Å; F104-F322 HydrophobicContact CE1-CD2 4.49Å; F104-F322 HydrophobicContact CE1-CE2 4.3Å; F104-F322 HydrophobicContact CE2-CD2 4.21Å; F104-F322 AromaticContact CZ-CD2 3.55Å; F104-F322 HydrophobicContact CZ-CD2 3.55Å; F104-F322 AromaticContact CZ-CE2 3.74Å; F104-F322 HydrophobicContact CZ-CE2 3.74Å; F104-F322 HydrophobicContact CZ-CG 4.15Å; F104-F322 HydrophobicContact CZ-CZ 4.44Å; F104-F329 HydrophobicContact CE1-CE2 4.39Å; F104-F329 AromaticContact CE2-CE2 3.97Å; F104-F329 HydrophobicContact CE2-CE2 3.97Å; F104-F329 HydrophobicContact CZ-CD2 4.07Å; F104-F329 AromaticContact CZ-CE2 3.62Å; F104-F329 HydrophobicContact CZ-CE2 3.62Å
105	F	98.4	Very high	97.4	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-72.9	-24.8	-176.3	-72	-64.9	0	0	0	113.3	L101 R107 V108 V109 I113 E240 W241 W281 I283 F315	L101-F105 HydrophobicContact CB-CD2 4.4Å; L101-F105 HydrophobicContact CD2-CD2 4.28Å; L101-F105 HydrophobicContact CD2-CE2 3.78Å; L101-F105 WeakPolarHBondContact O-CB 3.43Å; L101-F105 VanDerWaalsContact O-CD2 3.27Å; L101-F105 WeakPolarHBondContact O-CD2 3.41Å; L101-F105 PolarHBondContact O-N 3.39Å; F105-R107 VanDerWaalsContact C-N 3.29Å; F105-R107 PolarHBondContact O-N 3.05Å; F105-V108 HydrophobicContact CD1-CB 4.39Å; F105-V108 HydrophobicContact CD1-CG2 4.47Å; F105-V108 PolarHBondContact O-N 3.28Å; F105-V108 VanDerWaalsContact O-N 3.11Å; F105-V109 WeakPolarHBondContact O-CB 3.4Å; F105-V109 VanDerWaalsContact O-CG2 3.28Å; F105-V109 WeakPolarHBondContact O-CG2 3.31Å; F105-V109 PolarHBondContact O-N 2.87Å; F105-I113 HydrophobicContact CB-CD1 3.69Å; F105-E240 WeakPolarHBondContact CE1-OE2 3.28Å; F105-E240 WeakPolarHBondContact CZ-OE1 3.35Å; F105-W241 HydrophobicContact CE1-CZ2 4.12Å; F105-W241 HydrophobicContact CZ-CZ2 4.4Å; F105-W281 AromaticContact CE2-CE2 3.96Å; F105-W281 HydrophobicContact CE2-CZ2 4.19Å; F105-W281 AromaticContact CE2-NE1 3.58Å; F105-W281 HydrophobicContact CZ-CZ2 4.14Å; F105-W281 AromaticContact CZ-NE1 3.86Å; F105-I283 HydrophobicContact CB-CD1 4.08Å; F105-I283 HydrophobicContact CD2-CD1 3.27Å; F105-I283 HydrophobicContact CE2-CD1 3.88Å; F105-I283 HydrophobicContact CG-CD1 3.78Å; F105-F315 HydrophobicContact CE2-CE1 4.26Å; F105-F315 HydrophobicContact CE2-CZ 4.36Å; F105-F315 HydrophobicContact CZ-CE1 4.31Å; F105-F315 HydrophobicContact CZ-CZ 4.48Å
106	S	98.3	Very high	97.4	Very high	25 Å²	25	49.2 Å²	49.2	18%	0.175	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-42	169.6	-61.4	0	0	0	0	111.6	A102 F104 V108 G110 H111 I113	A102-S106 VanDerWaalsContact O-CB 3.24Å; A102-S106 WeakPolarHBondContact O-CB 3.31Å; A102-S106 PolarHBondContact O-N 3.4Å; A102-S106 PolarHBondContact O-OG 3.29Å; F104-S106 VanDerWaalsContact C-N 3.34Å; F104-S106 PolarHBondContact O-N 2.72Å; S106-V108 VanDerWaalsContact C-N 3.32Å; S106-V108 PolarHBondContact O-N 2.83Å; S106-G110 WeakPolarHBondContact O-CA 3.49Å; S106-G110 PolarHBondContact O-N 2.92Å; S106-H111 WeakPolarHBondContact CA-O 3.49Å; S106-H111 WeakPolarHBondContact CB-O 3.3Å; S106-H111 PolarHBondContact OG-O 2.84Å; S106-I113 PolarHBondContact OG-N 2.86Å
107	R	95.4	Very high	97.4	Very high	123 Å²	123	49 Å²	49	46%	0.464	25%	0.251	S	S	.	.	H	α-helix	trans	-65.8	-32.3	175.3	178.8	-179.9	175.2	-169.9	-3.9	112.7	F104 F105 Y319	F104-R107 WeakPolarHBondContact O-CB 3.44Å; F104-R107 PolarHBondContact O-N 3.47Å; F105-R107 VanDerWaalsContact C-N 3.29Å; F105-R107 PolarHBondContact O-N 3.05Å; R107-Y319 HydrophobicContact CB-CE2 4.21Å; R107-Y319 PolarHBondContact NH1-O 3.13Å
108	V	93.4	Very high	97.4	Very high	48 Å²	48	50 Å²	50	29%	0.291	26%	0.257	S	S	.	.	H	α-helix	trans	-81	-42.3	-178.8	176.7	0	0	0	0	112.1	F104 F105 S106 W241 K251	F104-V108 HydrophobicContact CD1-CG2 3.9Å; F104-V108 HydrophobicContact CE1-CG2 3.67Å; F104-V108 PolarHBondContact O-N 2.87Å; F105-V108 HydrophobicContact CD1-CB 4.39Å; F105-V108 HydrophobicContact CD1-CG2 4.47Å; F105-V108 PolarHBondContact O-N 3.28Å; F105-V108 VanDerWaalsContact O-N 3.11Å; S106-V108 VanDerWaalsContact C-N 3.32Å; S106-V108 PolarHBondContact O-N 2.83Å; V108-W241 HydrophobicContact CG2-CH2 4.36Å; V108-K251 HydrophobicContact CG1-CD 3.92Å; V108-K251 HydrophobicContact CG1-CG 4.36Å
109	V	93.1	Very high	97.4	Very high	16 Å²	16	50 Å²	50	10%	0.097	26%	0.257	C	S	.	.	H	α-helix	trans	-88.3	-20.7	-174.3	-171.1	0	0	0	0	111.8	F105 H111 K251	F105-V109 WeakPolarHBondContact O-CB 3.4Å; F105-V109 VanDerWaalsContact O-CG2 3.28Å; F105-V109 WeakPolarHBondContact O-CG2 3.31Å; F105-V109 PolarHBondContact O-N 2.87Å; V109-H111 WeakPolarHBondContact CG1-CE1 3.4Å; V109-K251 HydrophobicContact CG2-CD 3.86Å
110	G	92.1	Very high	97.4	Very high	71 Å²	71	44.7 Å²	44.7	73%	0.732	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.5	14.5	173.9	0	0	0	0	0	115.4	S106	S106-G110 WeakPolarHBondContact O-CA 3.49Å; S106-G110 PolarHBondContact O-N 2.92Å
111	H	92.9	Very high	97.4	Very high	61 Å²	61	44.3 Å²	44.3	28%	0.282	23%	0.231	S	C	.	.	S	Bend	trans	-143.2	167	172.9	67.7	-100.1	0	0	0	110.9	S106 V109 W259	S106-H111 WeakPolarHBondContact CA-O 3.49Å; S106-H111 WeakPolarHBondContact CB-O 3.3Å; S106-H111 PolarHBondContact OG-O 2.84Å; V109-H111 WeakPolarHBondContact CG1-CE1 3.4Å; H111-W259 AromaticContact CE1-CD2 3.43Å; H111-W259 VanDerWaalsContact CE1-CD2 3.43Å; H111-W259 AromaticContact CE1-CE2 3.96Å; H111-W259 AromaticContact CE1-CE3 3.48Å; H111-W259 VanDerWaalsContact CE1-CE3 3.48Å; H111-W259 AromaticContact CE1-CG 3.73Å; H111-W259 AromaticContact NE2-CD2 3.21Å; H111-W259 AromaticContact NE2-CE2 3.24Å; H111-W259 AromaticContact NE2-CE3 3.45Å; H111-W259 AromaticContact NE2-CG 3.76Å; H111-W259 AromaticContact NE2-CH2 3.73Å; H111-W259 AromaticContact NE2-CZ2 3.52Å; H111-W259 AromaticContact NE2-CZ3 3.7Å; H111-W259 AromaticContact NE2-NE1 3.75Å
112	E	97.3	Very high	97.4	Very high	179 Å²	179	44.3 Å²	44.3	84%	0.836	23%	0.231	S	C	*	.			trans	-78.3	125.1	-179.1	-175.6	171.2	-163.2	0	0	112
113	I	98.7	Very high	97.4	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	25%	0.245	C	C	.	.			trans	-104.2	126.7	177.5	-60	176.9	0	0	0	108.4	A102 F105 S106 D118 V119 W259 I283	A102-I113 HydrophobicContact CB-CB 4.33Å; A102-I113 HydrophobicContact CB-CG2 4.13Å; A102-I113 WeakPolarHBondContact CB-O 3.35Å; F105-I113 HydrophobicContact CB-CD1 3.69Å; S106-I113 PolarHBondContact OG-N 2.86Å; I113-D118 HydrophobicContact CG2-CB 3.66Å; I113-V119 HydrophobicContact CG2-CG2 3.89Å; I113-W259 HydrophobicContact CD1-CH2 4.36Å; I113-W259 HydrophobicContact CG1-CH2 4.07Å; I113-W259 HydrophobicContact CG2-CH2 4.39Å; I113-I283 HydrophobicContact CD1-CG2 3.96Å; I113-I283 HydrophobicContact CG2-CG2 4.15Å
114	D	98.7	Very high	97.4	Very high	70 Å²	70	42 Å²	42	37%	0.374	23%	0.225	S	C	.	.			trans	-77.6	122.4	175.1	-173.7	-66.1	0	0	0	110.7	F116 E117 D118	D114-F116 PolarHBondContact O-N 2.85Å; D114-F116 WeakPolarHBondContact OD1-CA 3.24Å; D114-F116 PolarHBondContact OD1-N 2.61Å; D114-E117 HydrophobicContact CB-CB 4.11Å; D114-E117 PolarHBondContact OD1-N 3.28Å; D114-D118 PolarHBondContact N-OD2 2.99Å; D114-D118 WeakPolarHBondContact O-CB 3.47Å; D114-D118 PolarHBondContact O-N 2.91Å
115	P	98.8	Very high	97.4	Very high	27 Å²	27	42.3 Å²	42.3	18%	0.175	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.5	-177	27.8	-35.8	0	0	0	114.1	V98 K99 A102	V98-P115 HydrophobicContact CB-CB 4.26Å; V98-P115 WeakPolarHBondContact CB-O 3.34Å; V98-P115 HydrophobicContact CG2-CB 4.16Å; V98-P115 WeakPolarHBondContact CG2-O 3.28Å; V98-P115 WeakPolarHBondContact O-CB 3.46Å; K99-P115 HydrophobicContact CG-CB 3.99Å; K99-P115 HydrophobicContact CG-CG 4.11Å; A102-P115 HydrophobicContact CB-CB 3.72Å; A102-P115 HydrophobicContact CB-CG 4.46Å
116	F	98.7	Very high	97.4	Very high	72 Å²	72	46.2 Å²	46.2	32%	0.316	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-31.6	-178.5	-59.7	-59	0	0	0	112.2	R90 V98 D114 K293	R90-F116 PolarHBondContact NH2-O 2.8Å; V98-F116 HydrophobicContact CG2-CD1 4.26Å; V98-F116 HydrophobicContact CG2-CE1 4.1Å; D114-F116 PolarHBondContact O-N 2.85Å; D114-F116 WeakPolarHBondContact OD1-CA 3.24Å; D114-F116 PolarHBondContact OD1-N 2.61Å; F116-K293 WeakPolarHBondContact O-CE 3.24Å; F116-K293 PolarHBondContact O-NZ 3.02Å
117	E	98.6	Very high	97.4	Very high	98 Å²	98	45.8 Å²	45.8	46%	0.458	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-47.8	179.8	-65.2	-45.8	129.1	0	0	114.9	D114 I289 K293	D114-E117 HydrophobicContact CB-CB 4.11Å; D114-E117 PolarHBondContact OD1-N 3.28Å; E117-I289 WeakPolarHBondContact O-CB 3.43Å; E117-I289 WeakPolarHBondContact O-CG2 3.3Å; E117-K293 VanDerWaalsContact CA-NZ 3.33Å; E117-K293 PolarHBondContact O-NZ 3.25Å; E117-K293 IonicContact OE2-NZ 3.58Å; E117-K293 PolarHBondContact OE2-NZ 2.86Å
118	D	98.8	Very high	97.6	Very high	22 Å²	22	40 Å²	40	12%	0.118	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.1	-170.2	-60.4	-35.4	0	0	0	114	I113 D114 W259 I283 S284 G286	I113-D118 HydrophobicContact CG2-CB 3.66Å; D114-D118 PolarHBondContact N-OD2 2.99Å; D114-D118 WeakPolarHBondContact O-CB 3.47Å; D114-D118 PolarHBondContact O-N 2.91Å; D118-W259 HydrophobicContact CB-CH2 4.22Å; D118-W259 HydrophobicContact CB-CZ2 4.06Å; D118-I283 WeakPolarHBondContact O-CA 3.49Å; D118-S284 CarbonylContact C-O 3.54Å; D118-S284 VanDerWaalsContact CA-O 3.22Å; D118-S284 WeakPolarHBondContact CA-O 3.35Å; D118-S284 WeakPolarHBondContact CB-O 3.06Å; D118-S284 PolarHBondContact O-N 3.44Å; D118-S284 VanDerWaalsContact O-O 3.11Å; D118-G286 WeakPolarHBondContact OD1-CA 3.49Å; D118-G286 PolarHBondContact OD1-N 2.76Å
119	V	98.9	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.6	-180	-170.8	0	0	0	0	111.5	V98 L101 A102 I113 I283	V98-V119 HydrophobicContact CB-CB 4.42Å; V98-V119 HydrophobicContact CB-CG1 4.27Å; V98-V119 HydrophobicContact CG1-CB 4.39Å; V98-V119 HydrophobicContact CG1-CG1 3.99Å; L101-V119 HydrophobicContact CB-CG1 4.37Å; L101-V119 HydrophobicContact CD1-CG1 3.98Å; A102-V119 HydrophobicContact CB-CG2 4.19Å; I113-V119 HydrophobicContact CG2-CG2 3.89Å; V119-I283 HydrophobicContact CG1-CG1 4.34Å; V119-I283 HydrophobicContact CG2-CG1 4.31Å
120	L	98.9	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121.7	168.2	173.2	62.9	0	0	0	109.7	F92 T122 W281 A282 I289 M292 K293 H296	F92-L120 HydrophobicContact CB-CD1 3.8Å; F92-L120 HydrophobicContact CD1-CD1 4.07Å; F92-L120 HydrophobicContact CG-CD1 4.37Å; L120-T122 HydrophobicContact CD2-CG2 4.29Å; L120-T122 HydrophobicContact CG-CG2 3.99Å; L120-W281 CarbonylContact O-C 3.57Å; L120-W281 VanDerWaalsContact O-CA 3.23Å; L120-W281 WeakPolarHBondContact O-CA 3.38Å; L120-A282 PolarHBondContact N-O 2.9Å; L120-A282 PolarHBondContact O-N 2.66Å; L120-I289 HydrophobicContact CB-CG2 4.05Å; L120-M292 HydrophobicContact CD2-CB 3.61Å; L120-K293 HydrophobicContact CD1-CG 4.23Å; L120-H296 HydrophobicContact CD1-CB 4.14Å; L120-H296 HydrophobicContact CD2-CB 4.23Å
121	V	98.9	Very high	98.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	142.2	171.9	-178.2	0	0	0	0	110.2	F92 L97 V98 L101 V279 G280 H296 C303 Q308	F92-V121 PolarHBondContact O-N 3.35Å; F92-V121 VanDerWaalsContact O-N 3.08Å; L97-V121 HydrophobicContact CD2-CG1 3.86Å; L97-V121 HydrophobicContact CD2-CG2 3.76Å; L97-V121 HydrophobicContact CG-CG2 4.16Å; V98-V121 HydrophobicContact CG1-CG2 3.66Å; L101-V121 HydrophobicContact CD1-CG2 4.31Å; V121-V279 HydrophobicContact CG1-CG1 4.19Å; V121-G280 WeakPolarHBondContact CG1-O 3.34Å; V121-H296 PolarHBondContact O-CE1 3.14Å; V121-C303 HydrophobicContact CG1-CB 4.41Å; V121-Q308 HydrophobicContact CG1-CG 3.99Å
122	T	98.9	Very high	98.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	167.1	-171.7	63.2	0	0	0	0	112.8	L120 G124 A128 G280	L120-T122 HydrophobicContact CD2-CG2 4.29Å; L120-T122 HydrophobicContact CG-CG2 3.99Å; T122-G124 PolarHBondContact O-N 3.07Å; T122-G124 PolarHBondContact OG1-O 3.2Å; T122-A128 HydrophobicContact CG2-CB 3.96Å; T122-G280 PolarHBondContact N-O 3.15Å; T122-G280 PolarHBondContact O-N 3.11Å; T122-G280 VanDerWaalsContact OG1-C 3.32Å; T122-G280 PolarHBondContact OG1-O 2.71Å
123	V	98.9	Very high	98.8	Very high	54 Å²	54	24.9 Å²	24.9	33%	0.327	12%	0.123	S	C	.	.	S	Bend	trans	-73.5	64.7	174.3	-170.3	0	0	0	0	110.7	Q127 K278 V300	V123-Q127 HydrophobicContact CB-CB 3.96Å; V123-Q127 HydrophobicContact CB-CG 4.45Å; V123-K278 CarbonylContact C-O 3.41Å; V123-K278 VanDerWaalsContact CA-O 3.22Å; V123-K278 WeakPolarHBondContact CA-O 3.21Å; V123-K278 HydrophobicContact CG1-CB 4.1Å; V123-V300 HydrophobicContact CG2-CG1 4.38Å; V123-V300 HydrophobicContact CG2-CG2 4.27Å
124	G	98.8	Very high	98.8	Very high	3 Å²	3	27.2 Å²	27.2	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	73.4	174.9	-169.9	0	0	0	0	0	112.5	T122 Y126 Q127 A128 K278	T122-G124 PolarHBondContact O-N 3.07Å; T122-G124 PolarHBondContact OG1-O 3.2Å; G124-Y126 PolarHBondContact O-N 3.22Å; G124-Q127 PolarHBondContact O-N 3.05Å; G124-Q127 VanDerWaalsContact O-N 3.14Å; G124-A128 PolarHBondContact O-N 3.34Å; G124-K278 PolarHBondContact N-O 3.41Å
125	A	98.8	Very high	98.8	Very high	10 Å²	10	25 Å²	25	8%	0.083	13%	0.126	C	C	.	.	H	α-helix	trans	-54.9	-34	173.9	0	0	0	0	0	113.3	Q127 A128 L129 V238 V265	A125-Q127 VanDerWaalsContact C-N 3.3Å; A125-Q127 PolarHBondContact O-N 3.18Å; A125-A128 WeakPolarHBondContact O-CA 3.39Å; A125-A128 WeakPolarHBondContact O-CB 3.46Å; A125-A128 PolarHBondContact O-N 3.19Å; A125-L129 WeakPolarHBondContact O-CG 3.4Å; A125-L129 PolarHBondContact O-N 3.27Å; A125-V238 HydrophobicContact CB-CG1 3.32Å; A125-V265 HydrophobicContact CB-CG1 3.47Å; A125-V265 VanDerWaalsContact CB-CG1 3.47Å
126	Y	98.8	Very high	98.8	Very high	85 Å²	85	24.7 Å²	24.7	33%	0.333	12%	0.122	S	C	.	.	H	α-helix	trans	-52	-44.2	174.8	-102.1	-90.3	0	0	0	113.4	G124 F130 F150 C152 M156	G124-Y126 PolarHBondContact O-N 3.22Å; Y126-F130 WeakPolarHBondContact O-CB 3.36Å; Y126-F130 PolarHBondContact O-N 3.07Å; Y126-F150 HydrophobicContact CD2-CE1 4.23Å; Y126-F150 AromaticContact CE2-CE1 3.41Å; Y126-F150 HydrophobicContact CE2-CE1 3.41Å; Y126-F150 VanDerWaalsContact CE2-CE1 3.41Å; Y126-F150 AromaticContact CE2-CZ 3.48Å; Y126-F150 HydrophobicContact CE2-CZ 3.48Å; Y126-F150 VanDerWaalsContact CE2-CZ 3.48Å; Y126-F150 AromaticContact CZ-CE1 3.59Å; Y126-F150 AromaticContact CZ-CZ 3.62Å; Y126-F150 WeakPolarHBondContact OH-CZ 3.15Å; Y126-C152 HydrophobicContact CD1-CB 4.36Å; Y126-C152 HydrophobicContact CE1-CB 3.56Å; Y126-M156 HydrophobicContact CD1-CE 3.83Å; Y126-M156 HydrophobicContact CE1-CE 4.4Å; Y126-M156 WeakPolarHBondContact O-CE 3.1Å
127	Q	98.8	Very high	98.8	Very high	17 Å²	17	21.6 Å²	21.6	8%	0.079	11%	0.109	C	C	.	.	H	α-helix	trans	-80.5	-24.7	178.3	-164.5	-127	-8.8	0	0	112.1	V123 G124 A125 C131 H296 V300	V123-Q127 HydrophobicContact CB-CB 3.96Å; V123-Q127 HydrophobicContact CB-CG 4.45Å; G124-Q127 PolarHBondContact O-N 3.05Å; G124-Q127 VanDerWaalsContact O-N 3.14Å; A125-Q127 VanDerWaalsContact C-N 3.3Å; A125-Q127 PolarHBondContact O-N 3.18Å; Q127-C131 PolarHBondContact NE2-SG 2.81Å; Q127-C131 VanDerWaalsContact O-CB 3.29Å; Q127-C131 WeakPolarHBondContact O-CB 3.4Å; Q127-C131 PolarHBondContact O-N 3.05Å; Q127-C131 PolarHBondContact O-SG 2.8Å; Q127-H296 PolarHBondContact NE2-ND1 3.4Å; Q127-H296 VanDerWaalsContact NE2-ND1 3.19Å; Q127-H296 PolarHBondContact OE1-ND1 2.75Å; Q127-V300 VanDerWaalsContact NE2-CG2 3.29Å
128	A	98.9	Very high	98.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-47.9	170.3	0	0	0	0	0	111.6	T122 G124 A125 C131 A132 V265 A282 M292	T122-A128 HydrophobicContact CG2-CB 3.96Å; G124-A128 PolarHBondContact O-N 3.34Å; A125-A128 WeakPolarHBondContact O-CA 3.39Å; A125-A128 WeakPolarHBondContact O-CB 3.46Å; A125-A128 PolarHBondContact O-N 3.19Å; A128-C131 PolarHBondContact O-N 2.7Å; A128-A132 WeakPolarHBondContact O-CB 3.39Å; A128-A132 PolarHBondContact O-N 2.99Å; A128-V265 HydrophobicContact CB-CG1 3.73Å; A128-V265 HydrophobicContact CB-CG2 4.08Å; A128-A282 HydrophobicContact CB-CB 4.16Å; A128-M292 VanDerWaalsContact O-CE 3.28Å; A128-M292 WeakPolarHBondContact O-CE 3.15Å
129	L	98.9	Very high	98.8	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-57.5	-52.1	172.4	-68.4	164.2	0	0	0	110.9	A125 C131 A132 F133 Y153 M156 I202 D236 V265	A125-L129 WeakPolarHBondContact O-CG 3.4Å; A125-L129 PolarHBondContact O-N 3.27Å; L129-C131 VanDerWaalsContact C-N 3.32Å; L129-C131 PolarHBondContact O-N 2.9Å; L129-A132 WeakPolarHBondContact O-CB 3.48Å; L129-A132 PolarHBondContact O-N 2.96Å; L129-F133 HydrophobicContact CB-CD2 4.43Å; L129-F133 HydrophobicContact CB-CE2 4.28Å; L129-F133 HydrophobicContact CD2-CE2 4.48Å; L129-F133 WeakPolarHBondContact O-CD2 3.45Å; L129-F133 PolarHBondContact O-N 3.36Å; L129-Y153 HydrophobicContact CD1-CD1 4.29Å; L129-Y153 HydrophobicContact CD1-CE1 3.75Å; L129-Y153 HydrophobicContact CD2-CE1 4.14Å; L129-M156 HydrophobicContact CB-CE 4.42Å; L129-M156 HydrophobicContact CB-SD 3.76Å; L129-I202 HydrophobicContact CD2-CD1 3.82Å; L129-D236 HydrophobicContact CD2-CB 4.46Å; L129-V265 HydrophobicContact CD2-CG2 4.28Å; L129-V265 HydrophobicContact CG-CG1 4.42Å
130	F	98.9	Very high	98.6	Very high	55 Å²	55	30.3 Å²	30.3	24%	0.241	17%	0.168	C	C	.	.	H	α-helix	trans	-56.1	-44.6	177.5	179.6	-98.5	0	0	0	112.4	Y126 A132 Q134 M156 M159 I295	Y126-F130 WeakPolarHBondContact O-CB 3.36Å; Y126-F130 PolarHBondContact O-N 3.07Å; F130-A132 VanDerWaalsContact C-N 3.32Å; F130-A132 PolarHBondContact O-N 2.7Å; F130-Q134 HydrophobicContact CD1-CG 4.24Å; F130-Q134 HydrophobicContact CD2-CG 4.06Å; F130-Q134 HydrophobicContact CE1-CG 3.9Å; F130-Q134 HydrophobicContact CE2-CG 3.69Å; F130-Q134 HydrophobicContact CG-CG 4.32Å; F130-Q134 HydrophobicContact CZ-CG 3.62Å; F130-Q134 WeakPolarHBondContact O-CB 3.3Å; F130-Q134 VanDerWaalsContact O-CG 3.23Å; F130-Q134 WeakPolarHBondContact O-CG 3.21Å; F130-Q134 PolarHBondContact O-N 3.37Å; F130-M156 HydrophobicContact CB-CE 4.1Å; F130-M156 HydrophobicContact CB-SD 4.21Å; F130-M159 HydrophobicContact CE2-CE 4.08Å; F130-M159 HydrophobicContact CE2-SD 4.04Å; F130-M159 HydrophobicContact CZ-CE 4.37Å; F130-I295 HydrophobicContact CE1-CG2 4.4Å
131	C	98.9	Very high	98.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67	-31.1	176.2	-68.7	0	0	0	0	112.8	Q127 A128 L129 A135 M292 I295	Q127-C131 PolarHBondContact NE2-SG 2.81Å; Q127-C131 VanDerWaalsContact O-CB 3.29Å; Q127-C131 WeakPolarHBondContact O-CB 3.4Å; Q127-C131 PolarHBondContact O-N 3.05Å; Q127-C131 PolarHBondContact O-SG 2.8Å; A128-C131 PolarHBondContact O-N 2.7Å; L129-C131 VanDerWaalsContact C-N 3.32Å; L129-C131 PolarHBondContact O-N 2.9Å; C131-A135 WeakPolarHBondContact O-CB 3.23Å; C131-A135 PolarHBondContact O-N 3.23Å; C131-M292 HydrophobicContact CB-CB 4.31Å; C131-M292 HydrophobicContact CB-CE 4.02Å; C131-I295 HydrophobicContact CB-CB 4.44Å; C131-I295 HydrophobicContact CB-CG2 4.36Å
132	A	98.9	Very high	98.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-69.3	-51.5	176	0	0	0	0	0	110.5	A128 L129 F130 A135 L136 F234 I263 M292	A128-A132 WeakPolarHBondContact O-CB 3.39Å; A128-A132 PolarHBondContact O-N 2.99Å; L129-A132 WeakPolarHBondContact O-CB 3.48Å; L129-A132 PolarHBondContact O-N 2.96Å; F130-A132 VanDerWaalsContact C-N 3.32Å; F130-A132 PolarHBondContact O-N 2.7Å; A132-A135 PolarHBondContact O-N 3.08Å; A132-L136 WeakPolarHBondContact O-CB 3.49Å; A132-L136 PolarHBondContact O-N 3.19Å; A132-F234 HydrophobicContact CB-CE1 4.46Å; A132-F234 HydrophobicContact CB-CZ 4.46Å; A132-I263 HydrophobicContact CB-CD1 3.91Å; A132-M292 HydrophobicContact CB-CE 3.88Å; A132-M292 HydrophobicContact CB-SD 4.43Å
133	F	98.9	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-52.1	178.1	-71.3	-64.2	0	0	0	112.1	L129 A135 L136 I137 V143 M156 V157 I202 F234	L129-F133 HydrophobicContact CB-CD2 4.43Å; L129-F133 HydrophobicContact CB-CE2 4.28Å; L129-F133 HydrophobicContact CD2-CE2 4.48Å; L129-F133 WeakPolarHBondContact O-CD2 3.45Å; L129-F133 PolarHBondContact O-N 3.36Å; F133-A135 PolarHBondContact O-N 2.9Å; F133-L136 PolarHBondContact O-N 3.39Å; F133-I137 HydrophobicContact CD1-CG1 4.03Å; F133-I137 WeakPolarHBondContact O-CB 3.36Å; F133-I137 PolarHBondContact O-N 2.91Å; F133-V143 HydrophobicContact CE1-CG1 4.21Å; F133-M156 HydrophobicContact CB-CB 4.25Å; F133-M156 HydrophobicContact CD2-CB 3.35Å; F133-M156 HydrophobicContact CD2-CG 4.13Å; F133-M156 HydrophobicContact CD2-SD 3.75Å; F133-M156 HydrophobicContact CE2-CB 3.79Å; F133-M156 HydrophobicContact CE2-SD 4Å; F133-M156 HydrophobicContact CG-CB 3.88Å; F133-V157 HydrophobicContact CD1-CG2 3.78Å; F133-V157 HydrophobicContact CE1-CG2 3.38Å; F133-V157 HydrophobicContact CZ-CG2 4.05Å; F133-I202 HydrophobicContact CE2-CD1 4.14Å; F133-I202 HydrophobicContact CZ-CD1 3.65Å; F133-F234 HydrophobicContact CD1-CD2 4.1Å; F133-F234 AromaticContact CD1-CE2 3.71Å; F133-F234 HydrophobicContact CD1-CE2 3.71Å; F133-F234 AromaticContact CE1-CD2 3.67Å; F133-F234 HydrophobicContact CE1-CD2 3.67Å; F133-F234 AromaticContact CE1-CE2 3.72Å; F133-F234 HydrophobicContact CE1-CE2 3.72Å; F133-F234 HydrophobicContact CG-CE2 4.45Å; F133-F234 HydrophobicContact CZ-CD2 4.07Å
134	Q	98.8	Very high	98.6	Very high	55 Å²	55	29.9 Å²	29.9	26%	0.257	16%	0.163	S	C	.	.	H	α-helix	trans	-69.6	-14.5	-178.5	-64.3	-75.5	-74.7	0	0	114.3	F130 M159 A160 I295	F130-Q134 HydrophobicContact CD1-CG 4.24Å; F130-Q134 HydrophobicContact CD2-CG 4.06Å; F130-Q134 HydrophobicContact CE1-CG 3.9Å; F130-Q134 HydrophobicContact CE2-CG 3.69Å; F130-Q134 HydrophobicContact CG-CG 4.32Å; F130-Q134 HydrophobicContact CZ-CG 3.62Å; F130-Q134 WeakPolarHBondContact O-CB 3.3Å; F130-Q134 VanDerWaalsContact O-CG 3.23Å; F130-Q134 WeakPolarHBondContact O-CG 3.21Å; F130-Q134 PolarHBondContact O-N 3.37Å; Q134-M159 PolarHBondContact NE2-O 3.31Å; Q134-A160 VanDerWaalsContact NE2-CA 3.35Å; Q134-I295 HydrophobicContact CB-CD1 4.17Å; Q134-I295 HydrophobicContact CB-CG1 4.14Å; Q134-I295 HydrophobicContact CB-CG2 4Å; Q134-I295 WeakPolarHBondContact O-CD1 3.37Å
135	A	98.7	Very high	98.6	Very high	24 Å²	24	29.7 Å²	29.7	20%	0.198	16%	0.161	C	C	.	.	H	α-helix	trans	-97	-18.4	179.8	0	0	0	0	0	113.9	C131 A132 F133 H291 M292 I295	C131-A135 WeakPolarHBondContact O-CB 3.23Å; C131-A135 PolarHBondContact O-N 3.23Å; A132-A135 PolarHBondContact O-N 3.08Å; F133-A135 PolarHBondContact O-N 2.9Å; A135-H291 HydrophobicContact CB-CB 3.99Å; A135-M292 HydrophobicContact CB-CG 4.25Å; A135-I295 HydrophobicContact CB-CG1 3.72Å
136	L	98.8	Very high	98.6	Very high	19 Å²	19	29.5 Å²	29.5	10%	0.099	16%	0.159	C	C	.	.	H	α-helix	trans	-138.8	-5.4	-162.4	-61.8	170.9	0	0	0	114.8	A132 F133 K199 L232 F234 I263 L288 H291	A132-L136 WeakPolarHBondContact O-CB 3.49Å; A132-L136 PolarHBondContact O-N 3.19Å; F133-L136 PolarHBondContact O-N 3.39Å; L136-K199 WeakPolarHBondContact O-CE 3.36Å; L136-L232 HydrophobicContact CB-CD1 4Å; L136-L232 HydrophobicContact CD1-CD1 4.16Å; L136-L232 HydrophobicContact CD2-CD1 4.45Å; L136-L232 HydrophobicContact CG-CD1 4.43Å; L136-F234 HydrophobicContact CB-CZ 4.18Å; L136-F234 HydrophobicContact CD1-CE1 4Å; L136-F234 HydrophobicContact CD1-CZ 4.28Å; L136-I263 HydrophobicContact CD1-CD1 3.32Å; L136-L288 HydrophobicContact CD2-CD2 4.11Å; L136-H291 HydrophobicContact CD2-CB 4.38Å
137	I	98.8	Very high	98.6	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.036	14%	0.143	C	C	.	.			trans	-114.5	127.4	174	-53.7	-53.5	0	0	0	108.2	F133 D141 V143 A160 K199 A200 F234	F133-I137 HydrophobicContact CD1-CG1 4.03Å; F133-I137 WeakPolarHBondContact O-CB 3.36Å; F133-I137 PolarHBondContact O-N 2.91Å; I137-D141 HydrophobicContact CG2-CB 3.9Å; I137-V143 HydrophobicContact CD1-CG2 3.45Å; I137-V143 VanDerWaalsContact CD1-CG2 3.45Å; I137-V143 HydrophobicContact CG1-CG2 3.88Å; I137-V143 HydrophobicContact CG2-CG2 4.15Å; I137-A160 HydrophobicContact CB-CB 3.96Å; I137-A160 HydrophobicContact CG2-CB 4.08Å; I137-K199 HydrophobicContact CD1-CB 4.09Å; I137-K199 HydrophobicContact CD1-CG 3.6Å; I137-A200 HydrophobicContact CD1-CB 4.08Å; I137-F234 HydrophobicContact CD1-CE2 4.15Å; I137-F234 HydrophobicContact CD1-CZ 4.17Å; I137-F234 HydrophobicContact CG1-CE2 4.33Å
138	D	98.3	Very high	98.6	Very high	115 Å²	115	24.8 Å²	24.8	62%	0.615	14%	0.14	S	C	*	.			trans	-108.4	172.1	175.5	-84.5	-52.5	0	0	0	112.3	G140 D141	D138-G140 PolarHBondContact O-N 3.03Å; D138-G140 VanDerWaalsContact O-N 3.12Å; D138-D141 PolarHBondContact N-OD2 3.19Å; D138-D141 WeakPolarHBondContact O-CB 3.27Å; D138-D141 PolarHBondContact O-N 3.19Å; D138-D141 VanDerWaalsContact O-N 3.13Å
139	D	98.1	Very high	98.5	Very high	150 Å²	150	24.9 Å²	24.9	80%	0.802	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	115.3	173.5	-81.9	-31	0	0	0	111.3	G161	D139-G161 WeakPolarHBondContact OD1-CA 3.49Å
140	G	95.1	Very high	98.5	Very high	38 Å²	38	26.2 Å²	26.2	39%	0.392	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	-2.6	177.7	0	0	0	0	0	116.1	D138 G161	D138-G140 PolarHBondContact O-N 3.03Å; D138-G140 VanDerWaalsContact O-N 3.12Å; G140-G161 PolarHBondContact N-O 3.29Å; G140-G161 VanDerWaalsContact N-O 3.12Å
141	D	98.8	Very high	98.3	Very high	29 Å²	29	24.7 Å²	24.7	16%	0.155	14%	0.141	C	C	.	.			trans	-64.4	144.3	166.3	-84.4	-23.8	0	0	0	110.4	I137 D138 G162 T163 K199	I137-D141 HydrophobicContact CG2-CB 3.9Å; D138-D141 PolarHBondContact N-OD2 3.19Å; D138-D141 WeakPolarHBondContact O-CB 3.27Å; D138-D141 PolarHBondContact O-N 3.19Å; D138-D141 VanDerWaalsContact O-N 3.13Å; D141-G162 CarbonylContact O-C 3.58Å; D141-G162 WeakPolarHBondContact O-CA 3.41Å; D141-T163 PolarHBondContact O-N 3Å; D141-K199 HydrophobicContact CB-CB 3.74Å; D141-K199 HydrophobicContact CB-CG 4.19Å; D141-K199 WeakPolarHBondContact OD2-CE 2.97Å; D141-K199 WeakPolarHBondContact OD2-CG 3.41Å; D141-K199 IonicContact OD2-NZ 2.76Å
142	E	98.9	Very high	98.2	Very high	15 Å²	15	25.1 Å²	25.1	7%	0.07	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.4	172.4	-75.7	166.3	-172.1	0	0	110.6	T163 V165 T195 R197 T198 K199	E142-T163 CarbonylContact C-O 3.34Å; E142-T163 WeakPolarHBondContact CA-O 3.27Å; E142-V165 HydrophobicContact CB-CG2 3.94Å; E142-V165 HydrophobicContact CG-CG2 3.91Å; E142-T195 WeakPolarHBondContact OE2-CB 3.24Å; E142-T195 VanDerWaalsContact OE2-CG2 3.24Å; E142-T195 WeakPolarHBondContact OE2-CG2 3.24Å; E142-T195 PolarHBondContact OE2-OG1 2.96Å; E142-R197 HydrophobicContact CB-CB 4.35Å; E142-R197 HydrophobicContact CG-CB 4Å; E142-R197 PolarHBondContact N-O 3.27Å; E142-R197 IonicContact OE1-CZ 3.15Å; E142-R197 IonicContact OE1-NE 2.8Å; E142-R197 PolarHBondContact OE1-NE 2.74Å; E142-R197 IonicContact OE1-NH2 2.67Å; E142-R197 PolarHBondContact OE1-NH2 2.86Å; E142-T198 WeakPolarHBondContact O-CA 3.28Å; E142-K199 PolarHBondContact O-N 3.39Å
143	V	98.9	Very high	98.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.1	174.2	-178.4	0	0	0	0	109.3	F133 I137 I145 V157 T163 V165 A200 I202	F133-V143 HydrophobicContact CE1-CG1 4.21Å; I137-V143 HydrophobicContact CD1-CG2 3.45Å; I137-V143 VanDerWaalsContact CD1-CG2 3.45Å; I137-V143 HydrophobicContact CG1-CG2 3.88Å; I137-V143 HydrophobicContact CG2-CG2 4.15Å; V143-I145 HydrophobicContact CG1-CG1 4.44Å; V143-I145 PolarHBondContact O-N 2.8Å; V143-V157 HydrophobicContact CB-CG1 4.01Å; V143-V157 HydrophobicContact CB-CG2 3.74Å; V143-V157 HydrophobicContact CG1-CG2 3.85Å; V143-V157 HydrophobicContact CG2-CG1 3.99Å; V143-V157 HydrophobicContact CG2-CG2 3.93Å; V143-T163 PolarHBondContact N-O 3.13Å; V143-V165 PolarHBondContact O-N 2.88Å; V143-A200 CarbonylContact C-O 3.49Å; V143-A200 WeakPolarHBondContact CA-O 3.23Å; V143-A200 HydrophobicContact CG1-CB 4.35Å; V143-A200 HydrophobicContact CG2-CB 4.5Å; V143-I202 HydrophobicContact CG1-CG2 4.37Å
144	I	98.9	Very high	98.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.3	173.9	-63.9	174.9	0	0	0	109.2	V165 V167 L190 K193 I194 T198 A200 I201 I202	I144-V165 CarbonylContact C-O 3.56Å; I144-V165 VanDerWaalsContact CA-O 3.26Å; I144-V165 WeakPolarHBondContact CA-O 3.36Å; I144-V165 HydrophobicContact CG1-CB 4.39Å; I144-V167 HydrophobicContact CG2-CB 4.47Å; I144-V167 HydrophobicContact CG2-CG2 3.81Å; I144-L190 HydrophobicContact CD1-CD1 4.05Å; I144-L190 HydrophobicContact CG2-CD1 3.77Å; I144-K193 HydrophobicContact CD1-CB 4.16Å; I144-K193 HydrophobicContact CG1-CB 4.49Å; I144-I194 HydrophobicContact CD1-CG1 3.72Å; I144-T198 HydrophobicContact CD1-CG2 3.73Å; I144-T198 HydrophobicContact CG1-CG2 3.88Å; I144-A200 PolarHBondContact N-O 3.33Å; I144-I201 HydrophobicContact CB-CB 4.29Å; I144-I201 HydrophobicContact CB-CG1 4.08Å; I144-I201 HydrophobicContact CG2-CD1 4.27Å; I144-I201 HydrophobicContact CG2-CG1 4.01Å; I144-I201 CarbonylContact O-C 3.56Å; I144-I201 WeakPolarHBondContact O-CA 3.33Å; I144-I202 PolarHBondContact O-N 3.47Å
145	I	98.9	Very high	98	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.2	176.5	-53.9	-173	0	0	0	108.3	V143 F149 Y153 Q154 V157 A164 V165 Y166 V167 I202	V143-I145 HydrophobicContact CG1-CG1 4.44Å; V143-I145 PolarHBondContact O-N 2.8Å; I145-F149 HydrophobicContact CG2-CB 3.44Å; I145-F149 VanDerWaalsContact CG2-CB 3.44Å; I145-F149 HydrophobicContact CG2-CD1 3.42Å; I145-F149 VanDerWaalsContact CG2-CD1 3.42Å; I145-F149 HydrophobicContact CG2-CD2 4.41Å; I145-F149 HydrophobicContact CG2-CE1 4.27Å; I145-F149 HydrophobicContact CG2-CG 3.53Å; I145-Y153 HydrophobicContact CG2-CD2 4.31Å; I145-Q154 HydrophobicContact CD1-CB 4.36Å; I145-V157 HydrophobicContact CD1-CG2 4.26Å; I145-A164 HydrophobicContact CD1-CB 3.7Å; I145-A164 HydrophobicContact CG1-CB 4.39Å; I145-V165 PolarHBondContact N-O 3.05Å; I145-Y166 HydrophobicContact CB-CD1 4.17Å; I145-Y166 HydrophobicContact CB-CE1 4.44Å; I145-Y166 HydrophobicContact CD1-CE1 4.23Å; I145-Y166 WeakPolarHBondContact O-CA 3.1Å; I145-V167 PolarHBondContact O-N 3.41Å; I145-I202 HydrophobicContact CB-CG2 4.16Å; I145-I202 HydrophobicContact CG1-CG2 3.84Å; I145-I202 HydrophobicContact CG2-CG2 4.13Å
146	V	98.8	Very high	98	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.036	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.4	176.6	-175.5	0	0	0	0	110.5	V167 L169 L185 I201 I203 Y214	V146-V167 CarbonylContact C-O 3.59Å; V146-V167 VanDerWaalsContact CA-O 3.28Å; V146-V167 WeakPolarHBondContact CA-O 3.2Å; V146-L169 HydrophobicContact CG1-CD1 4.47Å; V146-L169 HydrophobicContact CG1-CD2 4.07Å; V146-L169 HydrophobicContact CG1-CG 3.84Å; V146-L185 HydrophobicContact CG1-CD1 3.93Å; V146-L185 HydrophobicContact CG2-CD1 4.35Å; V146-L185 HydrophobicContact CG2-CD2 4.28Å; V146-I201 HydrophobicContact CG2-CD1 4.12Å; V146-I201 HydrophobicContact CG2-CG1 4.42Å; V146-I203 HydrophobicContact CG2-CG2 4.28Å; V146-Y214 WeakPolarHBondContact CG1-OH 3.47Å
147	E	98.6	Very high	98	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	149.7	-179.8	-63.2	160.1	126.8	0	0	112.9	F149 Y166 V167 P168 L169 F407 S408 H411	E147-F149 HydrophobicContact CB-CD1 4.36Å; E147-F149 HydrophobicContact CG-CD1 3.46Å; E147-F149 VanDerWaalsContact CG-CD1 3.46Å; E147-F149 HydrophobicContact CG-CE1 3.71Å; E147-Y166 HydrophobicContact CG-CD1 4.34Å; E147-V167 PolarHBondContact N-O 3.08Å; E147-P168 HydrophobicContact CB-CB 4.23Å; E147-L169 VanDerWaalsContact O-CB 3.3Å; E147-L169 WeakPolarHBondContact O-CB 3.44Å; E147-L169 VanDerWaalsContact O-CG 3.28Å; E147-L169 WeakPolarHBondContact O-CG 3.33Å; E147-L169 PolarHBondContact O-N 3.09Å; E147-F407 HydrophobicContact CB-CD1 3.53Å; E147-F407 HydrophobicContact CB-CE1 3.48Å; E147-F407 VanDerWaalsContact CB-CE1 3.48Å; E147-F407 HydrophobicContact CB-CG 4.44Å; E147-F407 HydrophobicContact CB-CZ 4.38Å; E147-F407 HydrophobicContact CG-CD1 3.93Å; E147-F407 HydrophobicContact CG-CE1 4.37Å; E147-S408 WeakPolarHBondContact OE1-CB 3.34Å; E147-S408 PolarHBondContact OE1-N 2.82Å; E147-S408 PolarHBondContact OE1-OG 3.22Å; E147-H411 IonicContact OE1-ND1 3.9Å; E147-H411 IonicContact OE2-CE1 2.99Å; E147-H411 IonicContact OE2-CG 2.77Å; E147-H411 IonicContact OE2-ND1 3.41Å; E147-H411 PolarHBondContact OE2-ND1 3.37Å
148	P	98.3	Very high	97.9	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.013	16%	0.162	C	C	.	.	S	Bend	cis	-71.5	134.5	-5.9	30.3	-35.3	0	0	0	111.5	N207 P209 L210 F406 F407	P148-N207 PolarHBondContact O-ND2 2.74Å; P148-P209 HydrophobicContact CB-CG 3.59Å; P148-P209 HydrophobicContact CG-CG 3.74Å; P148-L210 HydrophobicContact CG-CB 3.96Å; P148-F406 CarbonylContact C-O 3.52Å; P148-F406 VanDerWaalsContact CA-O 3.3Å; P148-F406 WeakPolarHBondContact CA-O 3.47Å; P148-F406 HydrophobicContact CB-CB 3.92Å; P148-F407 HydrophobicContact CB-CD2 4.13Å; P148-F407 HydrophobicContact CB-CE2 3.6Å; P148-F407 HydrophobicContact CB-CZ 3.81Å; P148-F407 HydrophobicContact CG-CE2 4.29Å; P148-F407 HydrophobicContact CG-CZ 4.22Å
149	F	98.3	Very high	97.9	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.013	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-103.6	155.2	-176.2	55.3	-103.7	0	0	0	111.9	I145 E147 D151 Y153 Q154 Y166 F406	I145-F149 HydrophobicContact CG2-CB 3.44Å; I145-F149 VanDerWaalsContact CG2-CB 3.44Å; I145-F149 HydrophobicContact CG2-CD1 3.42Å; I145-F149 VanDerWaalsContact CG2-CD1 3.42Å; I145-F149 HydrophobicContact CG2-CD2 4.41Å; I145-F149 HydrophobicContact CG2-CE1 4.27Å; I145-F149 HydrophobicContact CG2-CG 3.53Å; E147-F149 HydrophobicContact CB-CD1 4.36Å; E147-F149 HydrophobicContact CG-CD1 3.46Å; E147-F149 VanDerWaalsContact CG-CD1 3.46Å; E147-F149 HydrophobicContact CG-CE1 3.71Å; F149-D151 PolarHBondContact O-N 3.31Å; F149-Y153 HydrophobicContact CB-CD2 3.8Å; F149-Y153 HydrophobicContact CB-CE2 4.27Å; F149-Q154 HydrophobicContact CE2-CB 4.16Å; F149-Q154 HydrophobicContact CZ-CB 4.31Å; F149-Y166 HydrophobicContact CD1-CD1 4.32Å; F149-Y166 HydrophobicContact CD1-CE1 4.48Å; F149-Y166 AromaticContact CE1-CD1 3.75Å; F149-Y166 HydrophobicContact CE1-CD1 3.75Å; F149-Y166 AromaticContact CE1-CE1 3.67Å; F149-Y166 HydrophobicContact CE1-CE1 3.67Å; F149-Y166 HydrophobicContact CZ-CE1 4.12Å; F149-F406 PolarHBondContact N-O 2.97Å; F149-F406 VanDerWaalsContact O-CB 3.24Å; F149-F406 WeakPolarHBondContact O-CB 3.34Å; F149-F406 VanDerWaalsContact O-CD1 3.24Å; F149-F406 WeakPolarHBondContact O-CD1 3.49Å
150	F	98.1	Very high	97.9	Very high	30 Å²	30	19.9 Å²	19.9	13%	0.132	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-69	127.2	167.3	-174.6	-134.9	0	0	0	109.9	W43 Y126 C152 Y153 N208	W43-F150 AromaticContact CZ2-CE2 3.98Å; W43-F150 HydrophobicContact CZ2-CE2 3.98Å; Y126-F150 HydrophobicContact CD2-CE1 4.23Å; Y126-F150 AromaticContact CE2-CE1 3.41Å; Y126-F150 HydrophobicContact CE2-CE1 3.41Å; Y126-F150 VanDerWaalsContact CE2-CE1 3.41Å; Y126-F150 AromaticContact CE2-CZ 3.48Å; Y126-F150 HydrophobicContact CE2-CZ 3.48Å; Y126-F150 VanDerWaalsContact CE2-CZ 3.48Å; Y126-F150 AromaticContact CZ-CE1 3.59Å; Y126-F150 AromaticContact CZ-CZ 3.62Å; Y126-F150 WeakPolarHBondContact OH-CZ 3.15Å; F150-C152 VanDerWaalsContact CD1-SG 3.58Å; F150-C152 PolarHBondContact O-N 2.84Å; F150-Y153 HydrophobicContact CB-CD1 4.47Å; F150-Y153 HydrophobicContact CB-CE1 3.86Å; F150-Y153 HydrophobicContact CB-CE2 3.99Å; F150-Y153 HydrophobicContact CD1-CE1 4.07Å; F150-Y153 HydrophobicContact CG-CE1 4.48Å; F150-Y153 VanDerWaalsContact O-CG 3.26Å; F150-Y153 PolarHBondContact O-N 3.34Å; F150-N208 WeakPolarHBondContact CD2-ND2 3.49Å; F150-N208 WeakPolarHBondContact CE2-ND2 3.34Å
151	D	93.9	Very high	98	Very high	24 Å²	24	19.1 Å²	19.1	13%	0.128	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-29	-160.3	57.4	-74.5	0	0	0	115	W43 F149 Y153 P155 F406	W43-D151 VanDerWaalsContact CZ2-OD1 3.26Å; W43-D151 WeakPolarHBondContact CZ2-OD1 3.48Å; W43-D151 PolarHBondContact NE1-OD1 2.75Å; W43-D151 PolarHBondContact NE1-OD2 2.73Å; F149-D151 PolarHBondContact O-N 3.31Å; D151-Y153 VanDerWaalsContact C-N 3.29Å; D151-Y153 PolarHBondContact O-N 3.05Å; D151-P155 WeakPolarHBondContact O-CD 3.12Å; D151-F406 HydrophobicContact CB-CD1 4.4Å
152	C	96.9	Very high	97.9	Very high	8 Å²	8	18 Å²	18	5%	0.054	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-12.9	-176.9	74	0	0	0	0	114.9	Y126 F150 P155 M156	Y126-C152 HydrophobicContact CD1-CB 4.36Å; Y126-C152 HydrophobicContact CE1-CB 3.56Å; F150-C152 VanDerWaalsContact CD1-SG 3.58Å; F150-C152 PolarHBondContact O-N 2.84Å; C152-P155 WeakPolarHBondContact O-CD 3.45Å; C152-P155 WeakPolarHBondContact O-CG 3.36Å; C152-M156 HydrophobicContact CB-CE 4.07Å; C152-M156 WeakPolarHBondContact O-CB 3.49Å; C152-M156 WeakPolarHBondContact O-CG 3.09Å; C152-M156 PolarHBondContact O-N 2.9Å
153	Y	98.6	Very high	97.9	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-64.2	-48.6	-178.5	-57.4	-14.1	0	0	0	111.6	L129 I145 F149 F150 D151 M156 V157 I202 N204 D236	L129-Y153 HydrophobicContact CD1-CD1 4.29Å; L129-Y153 HydrophobicContact CD1-CE1 3.75Å; L129-Y153 HydrophobicContact CD2-CE1 4.14Å; I145-Y153 HydrophobicContact CG2-CD2 4.31Å; F149-Y153 HydrophobicContact CB-CD2 3.8Å; F149-Y153 HydrophobicContact CB-CE2 4.27Å; F150-Y153 HydrophobicContact CB-CD1 4.47Å; F150-Y153 HydrophobicContact CB-CE1 3.86Å; F150-Y153 HydrophobicContact CB-CE2 3.99Å; F150-Y153 HydrophobicContact CD1-CE1 4.07Å; F150-Y153 HydrophobicContact CG-CE1 4.48Å; F150-Y153 VanDerWaalsContact O-CG 3.26Å; F150-Y153 PolarHBondContact O-N 3.34Å; D151-Y153 VanDerWaalsContact C-N 3.29Å; D151-Y153 PolarHBondContact O-N 3.05Å; Y153-M156 PolarHBondContact O-N 2.83Å; Y153-V157 WeakPolarHBondContact O-CG2 3.33Å; Y153-V157 PolarHBondContact O-N 3.05Å; Y153-I202 HydrophobicContact CD1-CD1 3.56Å; Y153-I202 HydrophobicContact CD2-CD1 3.68Å; Y153-I202 HydrophobicContact CD2-CG1 3.93Å; Y153-I202 HydrophobicContact CD2-CG2 4.02Å; Y153-I202 HydrophobicContact CE1-CD1 3.7Å; Y153-I202 HydrophobicContact CE2-CD1 3.84Å; Y153-I202 HydrophobicContact CE2-CG1 3.94Å; Y153-I202 HydrophobicContact CG-CD1 3.58Å; Y153-I202 HydrophobicContact CG-CG1 4.32Å; Y153-I202 HydrophobicContact CG-CG2 4.41Å; Y153-N204 HydrophobicContact CE2-CB 4.19Å; Y153-N204 WeakPolarHBondContact OH-CB 3.41Å; Y153-D236 VanDerWaalsContact OH-CB 3.24Å; Y153-D236 WeakPolarHBondContact OH-CB 3.31Å; Y153-D236 PolarHBondContact OH-OD2 3.04Å
154	Q	97.4	Very high	97.9	Very high	54 Å²	54	21.3 Å²	21.3	25%	0.252	12%	0.124	S	C	.	.	H	α-helix	trans	-55.5	-57.7	177.4	175	-167.1	55.8	0	0	112.9	I145 F149 M156 V157 L158 Y166	I145-Q154 HydrophobicContact CD1-CB 4.36Å; F149-Q154 HydrophobicContact CE2-CB 4.16Å; F149-Q154 HydrophobicContact CZ-CB 4.31Å; Q154-M156 VanDerWaalsContact C-N 3.26Å; Q154-M156 PolarHBondContact O-N 2.58Å; Q154-V157 PolarHBondContact O-N 3.2Å; Q154-L158 HydrophobicContact CG-CD1 4.02Å; Q154-L158 WeakPolarHBondContact O-CG 3.3Å; Q154-L158 PolarHBondContact O-N 2.82Å; Q154-Y166 WeakPolarHBondContact CG-OH 3.38Å; Q154-Y166 PolarHBondContact NE2-OH 2.81Å
155	P	97.3	Very high	97.9	Very high	37 Å²	37	22.3 Å²	22.3	24%	0.24	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-27.4	-178.1	25.2	-34.6	0	0	0	113	V38 D151 C152 M159	V38-P155 HydrophobicContact CB-CB 3.74Å; V38-P155 HydrophobicContact CG1-CB 3.59Å; D151-P155 WeakPolarHBondContact O-CD 3.12Å; C152-P155 WeakPolarHBondContact O-CD 3.45Å; C152-P155 WeakPolarHBondContact O-CG 3.36Å; P155-M159 WeakPolarHBondContact O-CB 3.47Å; P155-M159 PolarHBondContact O-N 3.45Å
156	M	98.3	Very high	97.9	Very high	20 Å²	20	23.1 Å²	23.1	10%	0.099	13%	0.134	C	C	.	.	H	α-helix	trans	-70	-38.2	173.3	-71.6	-179.3	-175.6	0	0	112.8	Y126 L129 F130 F133 C152 Y153 Q154 A160	Y126-M156 HydrophobicContact CD1-CE 3.83Å; Y126-M156 HydrophobicContact CE1-CE 4.4Å; Y126-M156 WeakPolarHBondContact O-CE 3.1Å; L129-M156 HydrophobicContact CB-CE 4.42Å; L129-M156 HydrophobicContact CB-SD 3.76Å; F130-M156 HydrophobicContact CB-CE 4.1Å; F130-M156 HydrophobicContact CB-SD 4.21Å; F133-M156 HydrophobicContact CB-CB 4.25Å; F133-M156 HydrophobicContact CD2-CB 3.35Å; F133-M156 HydrophobicContact CD2-CG 4.13Å; F133-M156 HydrophobicContact CD2-SD 3.75Å; F133-M156 HydrophobicContact CE2-CB 3.79Å; F133-M156 HydrophobicContact CE2-SD 4Å; F133-M156 HydrophobicContact CG-CB 3.88Å; C152-M156 HydrophobicContact CB-CE 4.07Å; C152-M156 WeakPolarHBondContact O-CB 3.49Å; C152-M156 WeakPolarHBondContact O-CG 3.09Å; C152-M156 PolarHBondContact O-N 2.9Å; Y153-M156 PolarHBondContact O-N 2.83Å; Q154-M156 VanDerWaalsContact C-N 3.26Å; Q154-M156 PolarHBondContact O-N 2.58Å; M156-A160 PolarHBondContact O-N 3.21Å
157	V	98.4	Very high	97.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-50.7	172.1	171.3	0	0	0	0	110.5	F133 V143 I145 Y153 Q154 M159 A160 G161 G162 A164	F133-V157 HydrophobicContact CD1-CG2 3.78Å; F133-V157 HydrophobicContact CE1-CG2 3.38Å; F133-V157 HydrophobicContact CZ-CG2 4.05Å; V143-V157 HydrophobicContact CB-CG1 4.01Å; V143-V157 HydrophobicContact CB-CG2 3.74Å; V143-V157 HydrophobicContact CG1-CG2 3.85Å; V143-V157 HydrophobicContact CG2-CG1 3.99Å; V143-V157 HydrophobicContact CG2-CG2 3.93Å; I145-V157 HydrophobicContact CD1-CG2 4.26Å; Y153-V157 WeakPolarHBondContact O-CG2 3.33Å; Y153-V157 PolarHBondContact O-N 3.05Å; Q154-V157 PolarHBondContact O-N 3.2Å; V157-M159 VanDerWaalsContact C-N 3.34Å; V157-M159 PolarHBondContact O-N 3.2Å; V157-A160 WeakPolarHBondContact O-CB 3.13Å; V157-A160 PolarHBondContact O-N 3.33Å; V157-A160 VanDerWaalsContact O-N 3.08Å; V157-G161 PolarHBondContact O-N 3.04Å; V157-G162 PolarHBondContact O-N 3Å; V157-G162 VanDerWaalsContact O-N 3.08Å; V157-A164 HydrophobicContact CG1-CB 4.17Å
158	L	97.4	Very high	97.8	Very high	72 Å²	72	22.8 Å²	22.8	38%	0.377	13%	0.132	S	C	.	.	H	α-helix	trans	-62.3	-38.8	179.9	-63.6	175.4	0	0	0	112.4	V38 Q154 A160 G161	V38-L158 HydrophobicContact CG1-CB 4.14Å; V38-L158 HydrophobicContact CG1-CD1 4.21Å; Q154-L158 HydrophobicContact CG-CD1 4.02Å; Q154-L158 WeakPolarHBondContact O-CG 3.3Å; Q154-L158 PolarHBondContact O-N 2.82Å; L158-A160 PolarHBondContact O-N 3.41Å; L158-G161 PolarHBondContact O-N 3.18Å; L158-G161 VanDerWaalsContact O-N 3.14Å
159	M	97.4	Very high	97.8	Very high	60 Å²	60	22.7 Å²	22.7	30%	0.296	13%	0.131	S	C	.	.	H	α-helix	trans	-70.3	-18.6	177.3	-174.3	172.8	174.6	0	0	113.1	R34 F130 Q134 P155 V157	R34-M159 HydrophobicContact CB-CG 4.31Å; R34-M159 HydrophobicContact CG-CG 4.13Å; F130-M159 HydrophobicContact CE2-CE 4.08Å; F130-M159 HydrophobicContact CE2-SD 4.04Å; F130-M159 HydrophobicContact CZ-CE 4.37Å; Q134-M159 PolarHBondContact NE2-O 3.31Å; P155-M159 WeakPolarHBondContact O-CB 3.47Å; P155-M159 PolarHBondContact O-N 3.45Å; V157-M159 VanDerWaalsContact C-N 3.34Å; V157-M159 PolarHBondContact O-N 3.2Å
160	A	98.1	Very high	97.5	Very high	16 Å²	16	26 Å²	26	13%	0.132	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.1	171.8	0	0	0	0	0	113.7	Q134 I137 M156 V157 L158 G162	Q134-A160 VanDerWaalsContact NE2-CA 3.35Å; I137-A160 HydrophobicContact CB-CB 3.96Å; I137-A160 HydrophobicContact CG2-CB 4.08Å; M156-A160 PolarHBondContact O-N 3.21Å; V157-A160 WeakPolarHBondContact O-CB 3.13Å; V157-A160 PolarHBondContact O-N 3.33Å; V157-A160 VanDerWaalsContact O-N 3.08Å; L158-A160 PolarHBondContact O-N 3.41Å; A160-G162 VanDerWaalsContact C-N 3.35Å
161	G	97.2	Very high	97.1	Very high	23 Å²	23	26.7 Å²	26.7	24%	0.237	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-2.6	-175.3	0	0	0	0	0	114.4	D139 G140 V157 L158	D139-G161 WeakPolarHBondContact OD1-CA 3.49Å; G140-G161 PolarHBondContact N-O 3.29Å; G140-G161 VanDerWaalsContact N-O 3.12Å; V157-G161 PolarHBondContact O-N 3.04Å; L158-G161 PolarHBondContact O-N 3.18Å; L158-G161 VanDerWaalsContact O-N 3.14Å
162	G	98.3	Very high	96.7	Very high	4 Å²	4	32.7 Å²	32.7	4%	0.041	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-78.7	162.7	178.6	0	0	0	0	0	113.8	D141 V157 A160	D141-G162 CarbonylContact O-C 3.58Å; D141-G162 WeakPolarHBondContact O-CA 3.41Å; V157-G162 PolarHBondContact O-N 3Å; V157-G162 VanDerWaalsContact O-N 3.08Å; A160-G162 VanDerWaalsContact C-N 3.35Å
163	T	98.4	Very high	95.2	Very high	73 Å²	73	36 Å²	36	45%	0.448	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.1	172.7	-59.8	0	0	0	0	109.9	D141 E142 V143 V165	D141-T163 PolarHBondContact O-N 3Å; E142-T163 CarbonylContact C-O 3.34Å; E142-T163 WeakPolarHBondContact CA-O 3.27Å; V143-T163 PolarHBondContact N-O 3.13Å; T163-V165 HydrophobicContact CG2-CG2 4.45Å
164	A	98.3	Very high	93.1	Very high	12 Å²	12	40.1 Å²	40.1	10%	0.099	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	128.1	173.1	0	0	0	0	0	110.5	I145 V157 Y166	I145-A164 HydrophobicContact CD1-CB 3.7Å; I145-A164 HydrophobicContact CG1-CB 4.39Å; V157-A164 HydrophobicContact CG1-CB 4.17Å; A164-Y166 HydrophobicContact CB-CE1 4.01Å; A164-Y166 HydrophobicContact CB-CE2 4.36Å; A164-Y166 VanDerWaalsContact CB-OH 3.28Å; A164-Y166 WeakPolarHBondContact CB-OH 3.45Å
165	V	98.7	Very high	91	Very high	23 Å²	23	41.2 Å²	41.2	14%	0.139	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.5	-179.7	-178.1	0	0	0	0	108.9	E142 V143 I144 I145 T163 K193	E142-V165 HydrophobicContact CB-CG2 3.94Å; E142-V165 HydrophobicContact CG-CG2 3.91Å; V143-V165 PolarHBondContact O-N 2.88Å; I144-V165 CarbonylContact C-O 3.56Å; I144-V165 VanDerWaalsContact CA-O 3.26Å; I144-V165 WeakPolarHBondContact CA-O 3.36Å; I144-V165 HydrophobicContact CG1-CB 4.39Å; I145-V165 PolarHBondContact N-O 3.05Å; T163-V165 HydrophobicContact CG2-CG2 4.45Å; V165-K193 HydrophobicContact CG1-CB 3.79Å; V165-K193 HydrophobicContact CG1-CD 3.89Å; V165-K193 HydrophobicContact CG1-CG 4.02Å
166	Y	98.6	Very high	89.3	Confident	16 Å²	16	43.7 Å²	43.7	6%	0.063	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.4	-168.2	-50.8	-77.7	0	0	0	113.5	I145 E147 F149 Q154 A164 K193 S408	I145-Y166 HydrophobicContact CB-CD1 4.17Å; I145-Y166 HydrophobicContact CB-CE1 4.44Å; I145-Y166 HydrophobicContact CD1-CE1 4.23Å; I145-Y166 WeakPolarHBondContact O-CA 3.1Å; E147-Y166 HydrophobicContact CG-CD1 4.34Å; F149-Y166 HydrophobicContact CD1-CD1 4.32Å; F149-Y166 HydrophobicContact CD1-CE1 4.48Å; F149-Y166 AromaticContact CE1-CD1 3.75Å; F149-Y166 HydrophobicContact CE1-CD1 3.75Å; F149-Y166 AromaticContact CE1-CE1 3.67Å; F149-Y166 HydrophobicContact CE1-CE1 3.67Å; F149-Y166 HydrophobicContact CZ-CE1 4.12Å; Q154-Y166 WeakPolarHBondContact CG-OH 3.38Å; Q154-Y166 PolarHBondContact NE2-OH 2.81Å; A164-Y166 HydrophobicContact CB-CE1 4.01Å; A164-Y166 HydrophobicContact CB-CE2 4.36Å; A164-Y166 VanDerWaalsContact CB-OH 3.28Å; A164-Y166 WeakPolarHBondContact CB-OH 3.45Å; Y166-K193 VanDerWaalsContact O-CE 3.32Å; Y166-K193 WeakPolarHBondContact O-CE 3.24Å; Y166-S408 VanDerWaalsContact CG-CB 3.49Å
167	V	98.4	Very high	88	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	108.9	170.9	-179	0	0	0	0	108.6	I144 I145 V146 E147 L185 E189 L190 K193	I144-V167 HydrophobicContact CG2-CB 4.47Å; I144-V167 HydrophobicContact CG2-CG2 3.81Å; I145-V167 PolarHBondContact O-N 3.41Å; V146-V167 CarbonylContact C-O 3.59Å; V146-V167 VanDerWaalsContact CA-O 3.28Å; V146-V167 WeakPolarHBondContact CA-O 3.2Å; E147-V167 PolarHBondContact N-O 3.08Å; V167-L185 HydrophobicContact CB-CD1 4.46Å; V167-L185 HydrophobicContact CG1-CD1 3.52Å; V167-E189 HydrophobicContact CG1-CB 4.46Å; V167-E189 HydrophobicContact CG1-CG 4.3Å; V167-L190 HydrophobicContact CG1-CB 4.33Å; V167-L190 HydrophobicContact CG2-CD1 4.05Å; V167-K193 HydrophobicContact CG2-CB 4.06Å; V167-K193 HydrophobicContact CG2-CG 3.53Å
168	P	97.8	Very high	87.2	Confident	0 Å²	0	49 Å²	49	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	138.8	179	29.8	-33.6	0	0	0	112.6	E147 R170 F407 F415	E147-P168 HydrophobicContact CB-CB 4.23Å; P168-R170 HydrophobicContact CG-CG 4.42Å; P168-R170 VanDerWaalsContact CG-CZ 3.46Å; P168-F407 HydrophobicContact CB-CE1 4.32Å; P168-F415 HydrophobicContact CB-CE2 4.26Å; P168-F415 HydrophobicContact CB-CZ 4.46Å
169	L	97.6	Very high	87	Confident	0 Å²	0	47 Å²	47	0%	0	31%	0.308	C	S	.	.			trans	-62.8	132.2	154.6	-64.5	173.8	0	0	0	108	V146 E147 W183 L185 L210 K212	V146-L169 HydrophobicContact CG1-CD1 4.47Å; V146-L169 HydrophobicContact CG1-CD2 4.07Å; V146-L169 HydrophobicContact CG1-CG 3.84Å; E147-L169 VanDerWaalsContact O-CB 3.3Å; E147-L169 WeakPolarHBondContact O-CB 3.44Å; E147-L169 VanDerWaalsContact O-CG 3.28Å; E147-L169 WeakPolarHBondContact O-CG 3.33Å; E147-L169 PolarHBondContact O-N 3.09Å; L169-W183 HydrophobicContact CB-CB 4.26Å; L169-W183 HydrophobicContact CB-CE3 4.14Å; L169-L185 HydrophobicContact CD2-CB 3.64Å; L169-L185 HydrophobicContact CD2-CD1 4.27Å; L169-L185 HydrophobicContact CD2-CG 4.47Å; L169-L210 HydrophobicContact CD1-CD2 3.72Å; L169-K212 HydrophobicContact CD1-CD 3.7Å; L169-K212 HydrophobicContact CD2-CD 4.3Å
170	R	93.1	Very high	87	Confident	72 Å²	72	44.1 Å²	44.1	27%	0.272	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.2	177.5	-60.4	-175	-170.9	-85.2	0.2	110.2	P168 W183 V184 E189 E414	P168-R170 HydrophobicContact CG-CG 4.42Å; P168-R170 VanDerWaalsContact CG-CZ 3.46Å; R170-W183 WeakPolarHBondContact O-CA 3.22Å; R170-V184 PolarHBondContact N-O 3.22Å; R170-V184 VanDerWaalsContact N-O 3.08Å; R170-V184 PolarHBondContact O-N 2.9Å; R170-E189 IonicContact CZ-OE1 2.72Å; R170-E189 IonicContact CZ-OE2 2.95Å; R170-E189 IonicContact NE-OE1 3.8Å; R170-E189 PolarHBondContact NE-OE1 3.27Å; R170-E189 IonicContact NE-OE2 2.71Å; R170-E189 PolarHBondContact NE-OE2 3.35Å; R170-E189 IonicContact NH2-OE1 3.52Å; R170-E189 PolarHBondContact NH2-OE1 2.63Å; R170-E189 IonicContact NH2-OE2 3.19Å; R170-E414 IonicContact CZ-OE2 3.87Å; R170-E414 IonicContact NH1-OE1 3.83Å; R170-E414 PolarHBondContact NH1-OE1 3.13Å; R170-E414 IonicContact NH1-OE2 3.91Å; R170-E414 PolarHBondContact NH1-OE2 3.14Å
171	P	88.5	Confident	86.8	Confident	45 Å²	45	43.8 Å²	43.8	29%	0.292	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	138.6	174	26.6	-33.7	0	0	0	110.6	G173 V177	P171-G173 PolarHBondContact O-N 2.88Å; P171-V177 HydrophobicContact CB-CG1 4.33Å; P171-V177 HydrophobicContact CB-CG2 3.42Å; P171-V177 VanDerWaalsContact CB-CG2 3.42Å; P171-V177 HydrophobicContact CG-CG2 4.28Å
172	K	85.1	Confident	86.7	Confident	149 Å²	149	45.1 Å²	45.1	65%	0.648	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-61.8	118.4	174.9	-173	178.8	-180	-178	0	109.8	D182 V184	K172-D182 WeakPolarHBondContact CB-O 3.35Å; K172-D182 PolarHBondContact N-O 3.43Å; K172-V184 HydrophobicContact CB-CG2 4.42Å
173	G	65.4	Low	86.6	Confident	77 Å²	77	45 Å²	45	79%	0.794	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	139	-175.4	0	0	0	0	0	113.6	P171	P171-G173 PolarHBondContact O-N 2.88Å
174	G	55.8	Low	86.4	Confident	89 Å²	89	44.5 Å²	44.5	92%	0.918	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.9	-6.3	167.4	0	0	0	0	0	116.9
175	S	52	Low	86.3	Confident	78 Å²	78	44.3 Å²	44.3	55%	0.545	29%	0.286	S	S	.	.	S	Bend	trans	-134.6	163.4	175.3	60.4	0	0	0	0	112.1	V177	S175-V177 PolarHBondContact O-N 3.26Å
176	S	63.5	Low	86.2	Confident	89 Å²	89	45.4 Å²	45.4	62%	0.622	30%	0.295	S	S	*	.			trans	-57.4	136.5	157.1	43.5	0	0	0	0	108.7	L178	S176-L178 PolarHBondContact O-N 3.2Å
177	V	69.8	Low	86.1	Confident	34 Å²	34	46.8 Å²	46.8	21%	0.206	31%	0.309	C	S	.	.			trans	-81.6	106.7	-177	-179.3	0	0	0	0	107.8	P171 S175 D182 W183 V355	P171-V177 HydrophobicContact CB-CG1 4.33Å; P171-V177 HydrophobicContact CB-CG2 3.42Å; P171-V177 VanDerWaalsContact CB-CG2 3.42Å; P171-V177 HydrophobicContact CG-CG2 4.28Å; S175-V177 PolarHBondContact O-N 3.26Å; V177-D182 HydrophobicContact CG1-CB 4.36Å; V177-W183 VanDerWaalsContact CG1-NE1 3.25Å; V177-V355 HydrophobicContact CG1-CG1 4.29Å; V177-V355 HydrophobicContact CG1-CG2 4.17Å
178	L	81.3	Confident	86.1	Confident	97 Å²	97	54.4 Å²	54.4	51%	0.508	35%	0.345	S	S	.	.			trans	-103.8	-24.7	-171.8	-65.1	178.3	0	0	0	112.6	S176 D182 M356	S176-L178 PolarHBondContact O-N 3.2Å; L178-D182 PolarHBondContact N-OD2 2.86Å; L178-M356 VanDerWaalsContact O-CB 3.26Å; L178-M356 WeakPolarHBondContact O-CB 3.34Å; L178-M356 WeakPolarHBondContact O-CG 3.39Å; L178-M356 PolarHBondContact O-N 3.05Å
179	S	94.1	Very high	86	Confident	29 Å²	29	56.2 Å²	56.2	20%	0.203	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-130.4	150.9	-178.8	-178.3	0	0	0	0	112.3	G181 D182 V355 M356	S179-G181 PolarHBondContact O-N 3.38Å; S179-G181 PolarHBondContact OG-N 2.67Å; S179-G181 VanDerWaalsContact OG-N 3.09Å; S179-D182 PolarHBondContact N-OD2 2.83Å; S179-D182 WeakPolarHBondContact O-CB 3.36Å; S179-D182 PolarHBondContact O-N 2.85Å; S179-D182 VanDerWaalsContact O-N 3.08Å; S179-V355 VanDerWaalsContact C-CG1 3.44Å; S179-M356 CarbonylContact C-O 3.52Å; S179-M356 WeakPolarHBondContact CA-O 3.25Å
180	S	96.8	Very high	86	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-59.6	-23.7	166.5	60.8	0	0	0	0	112.5	D182 W183 L210 G211 K212 M356 E358	S180-D182 PolarHBondContact O-N 2.84Å; S180-W183 WeakPolarHBondContact O-CB 3.35Å; S180-W183 PolarHBondContact O-N 2.92Å; S180-L210 WeakPolarHBondContact CB-O 3.34Å; S180-G211 PolarHBondContact OG-O 3.37Å; S180-K212 WeakPolarHBondContact OG-CA 3.27Å; S180-M356 PolarHBondContact N-O 3.2Å; S180-M356 PolarHBondContact OG-O 3Å; S180-E358 PolarHBondContact OG-N 2.91Å; S180-E358 PolarHBondContact OG-OE2 3.23Å
181	G	95.1	Very high	86.3	Confident	10 Å²	10	55.6 Å²	55.6	10%	0.103	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-72.7	-12.5	175.7	0	0	0	0	0	114.3	S179 W183 E358	S179-G181 PolarHBondContact O-N 3.38Å; S179-G181 PolarHBondContact OG-N 2.67Å; S179-G181 VanDerWaalsContact OG-N 3.09Å; G181-W183 VanDerWaalsContact C-N 3.32Å; G181-E358 WeakPolarHBondContact CA-OE2 3.37Å; G181-E358 PolarHBondContact N-OE2 2.95Å; G181-E358 VanDerWaalsContact N-OE2 3.13Å
182	D	94.1	Very high	86.8	Confident	50 Å²	50	57.4 Å²	57.4	27%	0.267	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-82.4	-11.5	173.2	-58.1	-41.8	0	0	0	112.3	K172 V177 L178 S179 S180	K172-D182 WeakPolarHBondContact CB-O 3.35Å; K172-D182 PolarHBondContact N-O 3.43Å; V177-D182 HydrophobicContact CG1-CB 4.36Å; L178-D182 PolarHBondContact N-OD2 2.86Å; S179-D182 PolarHBondContact N-OD2 2.83Å; S179-D182 WeakPolarHBondContact O-CB 3.36Å; S179-D182 PolarHBondContact O-N 2.85Å; S179-D182 VanDerWaalsContact O-N 3.08Å; S180-D182 PolarHBondContact O-N 2.84Å
183	W	95.6	Very high	87.4	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.008	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.5	172.9	-67.4	68.2	0	0	0	109.4	L169 R170 V177 S180 G181 L210 K212 I364 F415 Y418	L169-W183 HydrophobicContact CB-CB 4.26Å; L169-W183 HydrophobicContact CB-CE3 4.14Å; R170-W183 WeakPolarHBondContact O-CA 3.22Å; V177-W183 VanDerWaalsContact CG1-NE1 3.25Å; S180-W183 WeakPolarHBondContact O-CB 3.35Å; S180-W183 PolarHBondContact O-N 2.92Å; G181-W183 VanDerWaalsContact C-N 3.32Å; W183-L210 HydrophobicContact CB-CD2 3.71Å; W183-L210 HydrophobicContact CD2-CD1 3.91Å; W183-L210 HydrophobicContact CD2-CD2 3.96Å; W183-L210 HydrophobicContact CE3-CD2 4.29Å; W183-L210 HydrophobicContact CG-CD1 3.92Å; W183-L210 HydrophobicContact CG-CD2 3.71Å; W183-L210 HydrophobicContact CG-CG 4.43Å; W183-L210 HydrophobicContact CZ2-CD1 4.45Å; W183-K212 WeakPolarHBondContact O-CE 3.22Å; W183-K212 PolarHBondContact O-NZ 3.49Å; W183-I364 HydrophobicContact CH2-CD1 4.45Å; W183-I364 HydrophobicContact CZ2-CD1 3.88Å; W183-F415 AromaticContact CH2-CD1 3.81Å; W183-F415 HydrophobicContact CH2-CD1 3.81Å; W183-F415 AromaticContact CH2-CE1 3.72Å; W183-F415 HydrophobicContact CH2-CE1 3.72Å; W183-F415 AromaticContact CZ3-CD1 3.95Å; W183-F415 HydrophobicContact CZ3-CD1 3.95Å; W183-F415 AromaticContact CZ3-CE1 3.51Å; W183-F415 HydrophobicContact CZ3-CE1 3.51Å; W183-F415 HydrophobicContact CZ3-CZ 4.37Å; W183-Y418 HydrophobicContact CH2-CE2 4.09Å; W183-Y418 HydrophobicContact CZ2-CE1 4.25Å; W183-Y418 HydrophobicContact CZ2-CE2 4.34Å; W183-Y418 AromaticContact CZ2-CZ 3.95Å
184	V	95	Very high	89	Confident	63 Å²	63	50.6 Å²	50.6	38%	0.382	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.3	-168.3	-176.5	0	0	0	0	110.3	R170 K172	R170-V184 PolarHBondContact N-O 3.22Å; R170-V184 VanDerWaalsContact N-O 3.08Å; R170-V184 PolarHBondContact O-N 2.9Å; K172-V184 HydrophobicContact CB-CG2 4.42Å
185	L	96.6	Very high	91	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.042	29%	0.29	C	S	.	.			trans	-84.2	113	168.8	-172.9	53.9	0	0	0	109.3	V146 V167 L169 A187 L190 Y214 M221 I222	V146-L185 HydrophobicContact CG1-CD1 3.93Å; V146-L185 HydrophobicContact CG2-CD1 4.35Å; V146-L185 HydrophobicContact CG2-CD2 4.28Å; V167-L185 HydrophobicContact CB-CD1 4.46Å; V167-L185 HydrophobicContact CG1-CD1 3.52Å; L169-L185 HydrophobicContact CD2-CB 3.64Å; L169-L185 HydrophobicContact CD2-CD1 4.27Å; L169-L185 HydrophobicContact CD2-CG 4.47Å; L185-A187 PolarHBondContact O-N 2.86Å; L185-L190 HydrophobicContact CD2-CD2 4.09Å; L185-L190 HydrophobicContact CG-CD2 4.44Å; L185-Y214 HydrophobicContact CD2-CE1 4.15Å; L185-M221 HydrophobicContact CB-CE 4.35Å; L185-M221 HydrophobicContact CD2-CE 3.97Å; L185-M221 HydrophobicContact CG-CE 3.99Å; L185-I222 HydrophobicContact CD2-CD1 3.92Å; L185-I222 HydrophobicContact CD2-CG1 4.01Å
186	S	96.2	Very high	93.2	Very high	45 Å²	45	51.5 Å²	51.5	32%	0.315	31%	0.308	S	S	.	.			trans	-70.4	118.8	177	173.9	0	0	0	0	110.4	E188 E189 L190	S186-E188 PolarHBondContact O-N 3.25Å; S186-E188 PolarHBondContact OG-N 2.92Å; S186-E189 PolarHBondContact O-N 2.75Å; S186-E189 PolarHBondContact OG-N 2.93Å; S186-L190 WeakPolarHBondContact O-CB 3.49Å; S186-L190 PolarHBondContact O-N 2.99Å
187	A	96.5	Very high	94.9	Very high	45 Å²	45	54.2 Å²	54.2	37%	0.372	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-32.1	175.6	0	0	0	0	0	112.1	L185 T191 M221	L185-A187 PolarHBondContact O-N 2.86Å; A187-T191 VanDerWaalsContact O-CB 3.23Å; A187-T191 WeakPolarHBondContact O-CB 3.44Å; A187-T191 PolarHBondContact O-N 2.84Å; A187-T191 PolarHBondContact O-OG1 3.47Å; A187-M221 HydrophobicContact CB-CE 4.36Å; A187-M221 HydrophobicContact CB-CG 3.8Å; A187-M221 HydrophobicContact CB-SD 3.79Å
188	E	97.5	Very high	96.3	Very high	160 Å²	160	53.3 Å²	53.3	75%	0.748	30%	0.299	S	S	*	.	H	α-helix	trans	-70.2	-48.4	175.2	-176.3	177.5	-175.6	0	0	111.2	S186 L190 T191 S192	S186-E188 PolarHBondContact O-N 3.25Å; S186-E188 PolarHBondContact OG-N 2.92Å; E188-L190 PolarHBondContact O-N 3.04Å; E188-T191 PolarHBondContact O-N 3.22Å; E188-S192 WeakPolarHBondContact O-CB 3.44Å; E188-S192 PolarHBondContact O-N 2.9Å
189	E	96.7	Very high	97.1	Very high	38 Å²	38	52.1 Å²	52.1	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-44.7	178.4	-163.5	167.7	-177.4	0	0	110.3	V167 R170 S186 S192 K193	V167-E189 HydrophobicContact CG1-CB 4.46Å; V167-E189 HydrophobicContact CG1-CG 4.3Å; R170-E189 IonicContact CZ-OE1 2.72Å; R170-E189 IonicContact CZ-OE2 2.95Å; R170-E189 IonicContact NE-OE1 3.8Å; R170-E189 PolarHBondContact NE-OE1 3.27Å; R170-E189 IonicContact NE-OE2 2.71Å; R170-E189 PolarHBondContact NE-OE2 3.35Å; R170-E189 IonicContact NH2-OE1 3.52Å; R170-E189 PolarHBondContact NH2-OE1 2.63Å; R170-E189 IonicContact NH2-OE2 3.19Å; S186-E189 PolarHBondContact O-N 2.75Å; S186-E189 PolarHBondContact OG-N 2.93Å; E189-S192 PolarHBondContact O-N 3.01Å; E189-S192 PolarHBondContact O-OG 3.34Å; E189-K193 PolarHBondContact O-N 2.96Å
190	L	98.3	Very high	97.4	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-48.8	174.7	179.1	58.1	0	0	0	112.3	I144 V167 L185 S186 E188 S192 K193 I201 M221 I222 L225	I144-L190 HydrophobicContact CD1-CD1 4.05Å; I144-L190 HydrophobicContact CG2-CD1 3.77Å; V167-L190 HydrophobicContact CG1-CB 4.33Å; V167-L190 HydrophobicContact CG2-CD1 4.05Å; L185-L190 HydrophobicContact CD2-CD2 4.09Å; L185-L190 HydrophobicContact CG-CD2 4.44Å; S186-L190 WeakPolarHBondContact O-CB 3.49Å; S186-L190 PolarHBondContact O-N 2.99Å; E188-L190 PolarHBondContact O-N 3.04Å; L190-S192 VanDerWaalsContact C-N 3.26Å; L190-S192 PolarHBondContact O-N 3.33Å; L190-K193 PolarHBondContact O-N 3.28Å; L190-K193 VanDerWaalsContact O-N 3.15Å; L190-I201 HydrophobicContact CD1-CD1 3.92Å; L190-I201 HydrophobicContact CD2-CD1 4.25Å; L190-M221 HydrophobicContact CD2-CE 4.04Å; L190-M221 HydrophobicContact CD2-SD 3.87Å; L190-I222 HydrophobicContact CD2-CG1 4.34Å; L190-L225 HydrophobicContact CB-CD1 4.49Å; L190-L225 HydrophobicContact CD2-CD1 3.61Å; L190-L225 HydrophobicContact CG-CD1 3.81Å
191	T	98.4	Very high	97.5	Very high	57 Å²	57	50.9 Å²	50.9	35%	0.35	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-36.7	178.7	-58.7	0	0	0	0	111.4	A187 E188 K193 I194	A187-T191 VanDerWaalsContact O-CB 3.23Å; A187-T191 WeakPolarHBondContact O-CB 3.44Å; A187-T191 PolarHBondContact O-N 2.84Å; A187-T191 PolarHBondContact O-OG1 3.47Å; E188-T191 PolarHBondContact O-N 3.22Å; T191-K193 PolarHBondContact O-N 2.98Å; T191-I194 PolarHBondContact O-N 2.94Å
192	S	98.3	Very high	97.7	Very high	83 Å²	83	50.5 Å²	50.5	58%	0.58	28%	0.276	S	S	*	.	H	α-helix	trans	-64.4	-21.2	179	81.3	0	0	0	0	114.3	E188 E189 L190	E188-S192 WeakPolarHBondContact O-CB 3.44Å; E188-S192 PolarHBondContact O-N 2.9Å; E189-S192 PolarHBondContact O-N 3.01Å; E189-S192 PolarHBondContact O-OG 3.34Å; L190-S192 VanDerWaalsContact C-N 3.26Å; L190-S192 PolarHBondContact O-N 3.33Å
193	K	98.4	Very high	97.9	Very high	58 Å²	58	48.1 Å²	48.1	25%	0.252	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-9.5	177.9	-62.7	-55.7	-175.5	160.8	0	113.9	I144 V165 Y166 V167 E189 L190 T191	I144-K193 HydrophobicContact CD1-CB 4.16Å; I144-K193 HydrophobicContact CG1-CB 4.49Å; V165-K193 HydrophobicContact CG1-CB 3.79Å; V165-K193 HydrophobicContact CG1-CD 3.89Å; V165-K193 HydrophobicContact CG1-CG 4.02Å; Y166-K193 VanDerWaalsContact O-CE 3.32Å; Y166-K193 WeakPolarHBondContact O-CE 3.24Å; V167-K193 HydrophobicContact CG2-CB 4.06Å; V167-K193 HydrophobicContact CG2-CG 3.53Å; E189-K193 PolarHBondContact O-N 2.96Å; L190-K193 PolarHBondContact O-N 3.28Å; L190-K193 VanDerWaalsContact O-N 3.15Å; T191-K193 PolarHBondContact O-N 2.98Å
194	I	98.8	Very high	98	Very high	24 Å²	24	48.3 Å²	48.3	12%	0.123	27%	0.265	C	S	.	.			trans	-80.3	123.6	179.7	-60.1	171.1	0	0	0	109.7	I144 T191 L225 H229 L231	I144-I194 HydrophobicContact CD1-CG1 3.72Å; T191-I194 PolarHBondContact O-N 2.94Å; I194-L225 HydrophobicContact CD1-CB 4.09Å; I194-L225 HydrophobicContact CD1-CD1 4.22Å; I194-L225 HydrophobicContact CD1-CD2 4.13Å; I194-L225 HydrophobicContact CD1-CG 4.39Å; I194-H229 HydrophobicContact CG2-CB 3.96Å; I194-L231 HydrophobicContact CD1-CD1 4.17Å; I194-L231 HydrophobicContact CG1-CD1 4.35Å; I194-L231 HydrophobicContact CG2-CD1 4.49Å
195	T	98.7	Very high	98.2	Very high	43 Å²	43	45.3 Å²	45.3	26%	0.264	25%	0.247	S	C	.	.			trans	-126.2	170.8	176.9	92.2	0	0	0	0	110.5	E142 R197 T198	E142-T195 WeakPolarHBondContact OE2-CB 3.24Å; E142-T195 VanDerWaalsContact OE2-CG2 3.24Å; E142-T195 WeakPolarHBondContact OE2-CG2 3.24Å; E142-T195 PolarHBondContact OE2-OG1 2.96Å; T195-R197 PolarHBondContact O-N 3.06Å; T195-R197 PolarHBondContact OG1-N 2.82Å; T195-T198 PolarHBondContact N-OG1 3Å; T195-T198 WeakPolarHBondContact O-CB 3.42Å; T195-T198 PolarHBondContact O-N 3.18Å; T195-T198 PolarHBondContact O-OG1 2.92Å
196	P	98.5	Very high	98.3	Very high	144 Å²	144	45 Å²	45	94%	0.935	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-8.5	171.8	-23.5	35.3	0	0	0	115.4
197	R	98.8	Very high	98.5	Very high	146 Å²	146	42.9 Å²	42.9	55%	0.551	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-9.5	171.6	-66.4	-176.7	-61.9	-90.3	-6.1	113.1	E142 T195 K199	E142-R197 HydrophobicContact CB-CB 4.35Å; E142-R197 HydrophobicContact CG-CB 4Å; E142-R197 PolarHBondContact N-O 3.27Å; E142-R197 IonicContact OE1-CZ 3.15Å; E142-R197 IonicContact OE1-NE 2.8Å; E142-R197 PolarHBondContact OE1-NE 2.74Å; E142-R197 IonicContact OE1-NH2 2.67Å; E142-R197 PolarHBondContact OE1-NH2 2.86Å; T195-R197 PolarHBondContact O-N 3.06Å; T195-R197 PolarHBondContact OG1-N 2.82Å; R197-K199 PolarHBondContact O-N 3.45Å; R197-K199 VanDerWaalsContact O-N 3.13Å
198	T	98.9	Very high	98.5	Very high	14 Å²	14	41 Å²	41	9%	0.086	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	117.9	-179.6	-51.7	0	0	0	0	109.6	E142 I144 T195 L231	E142-T198 WeakPolarHBondContact O-CA 3.28Å; I144-T198 HydrophobicContact CD1-CG2 3.73Å; I144-T198 HydrophobicContact CG1-CG2 3.88Å; T195-T198 PolarHBondContact N-OG1 3Å; T195-T198 WeakPolarHBondContact O-CB 3.42Å; T195-T198 PolarHBondContact O-N 3.18Å; T195-T198 PolarHBondContact O-OG1 2.92Å; T198-L231 HydrophobicContact CG2-CD1 4.06Å; T198-L231 HydrophobicContact CG2-CD2 3.83Å; T198-L231 WeakPolarHBondContact O-CD2 3.47Å
199	K	98.9	Very high	98.6	Very high	72 Å²	72	33.3 Å²	33.3	31%	0.313	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-41.7	-176	-177.5	63.8	160.6	-156.8	0	112.2	L136 I137 D141 E142 R197 L232	L136-K199 WeakPolarHBondContact O-CE 3.36Å; I137-K199 HydrophobicContact CD1-CB 4.09Å; I137-K199 HydrophobicContact CD1-CG 3.6Å; D141-K199 HydrophobicContact CB-CB 3.74Å; D141-K199 HydrophobicContact CB-CG 4.19Å; D141-K199 WeakPolarHBondContact OD2-CE 2.97Å; D141-K199 WeakPolarHBondContact OD2-CG 3.41Å; D141-K199 IonicContact OD2-NZ 2.76Å; E142-K199 PolarHBondContact O-N 3.39Å; R197-K199 PolarHBondContact O-N 3.45Å; R197-K199 VanDerWaalsContact O-N 3.13Å; K199-L232 PolarHBondContact O-N 3.47Å
200	A	98.9	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.6	-174	0	0	0	0	0	111.9	I137 V143 I144 L232 F234	I137-A200 HydrophobicContact CD1-CB 4.08Å; V143-A200 CarbonylContact C-O 3.49Å; V143-A200 WeakPolarHBondContact CA-O 3.23Å; V143-A200 HydrophobicContact CG1-CB 4.35Å; V143-A200 HydrophobicContact CG2-CB 4.5Å; I144-A200 PolarHBondContact N-O 3.33Å; A200-L232 CarbonylContact C-O 3.6Å; A200-L232 WeakPolarHBondContact CA-O 3.32Å; A200-L232 HydrophobicContact CB-CB 4Å; A200-F234 HydrophobicContact CB-CD2 4.39Å; A200-F234 HydrophobicContact CB-CE1 4.38Å; A200-F234 HydrophobicContact CB-CE2 3.99Å; A200-F234 HydrophobicContact CB-CZ 3.98Å
201	I	98.9	Very high	98.7	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.1	157.2	-173.3	174.5	0	0	0	108.7	I144 V146 L190 I203 I222 C226 L232 C233 F234	I144-I201 HydrophobicContact CB-CB 4.29Å; I144-I201 HydrophobicContact CB-CG1 4.08Å; I144-I201 HydrophobicContact CG2-CD1 4.27Å; I144-I201 HydrophobicContact CG2-CG1 4.01Å; I144-I201 CarbonylContact O-C 3.56Å; I144-I201 WeakPolarHBondContact O-CA 3.33Å; V146-I201 HydrophobicContact CG2-CD1 4.12Å; V146-I201 HydrophobicContact CG2-CG1 4.42Å; L190-I201 HydrophobicContact CD1-CD1 3.92Å; L190-I201 HydrophobicContact CD2-CD1 4.25Å; I201-I203 HydrophobicContact CD1-CG2 3.95Å; I201-I203 HydrophobicContact CG1-CG2 4.02Å; I201-I222 HydrophobicContact CD1-CG2 4.14Å; I201-I222 HydrophobicContact CG2-CG2 4.18Å; I201-C226 VanDerWaalsContact CG2-SG 3.58Å; I201-L232 PolarHBondContact N-O 2.76Å; I201-C233 HydrophobicContact CG2-CB 4.26Å; I201-C233 WeakPolarHBondContact O-CA 3.42Å; I201-F234 PolarHBondContact O-N 2.97Å
202	I	98.9	Very high	98.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.1	165.1	-176.6	158.8	0	0	0	110.6	L129 F133 V143 I144 I145 Y153 F234	L129-I202 HydrophobicContact CD2-CD1 3.82Å; F133-I202 HydrophobicContact CE2-CD1 4.14Å; F133-I202 HydrophobicContact CZ-CD1 3.65Å; V143-I202 HydrophobicContact CG1-CG2 4.37Å; I144-I202 PolarHBondContact O-N 3.47Å; I145-I202 HydrophobicContact CB-CG2 4.16Å; I145-I202 HydrophobicContact CG1-CG2 3.84Å; I145-I202 HydrophobicContact CG2-CG2 4.13Å; Y153-I202 HydrophobicContact CD1-CD1 3.56Å; Y153-I202 HydrophobicContact CD2-CD1 3.68Å; Y153-I202 HydrophobicContact CD2-CG1 3.93Å; Y153-I202 HydrophobicContact CD2-CG2 4.02Å; Y153-I202 HydrophobicContact CE1-CD1 3.7Å; Y153-I202 HydrophobicContact CE2-CD1 3.84Å; Y153-I202 HydrophobicContact CE2-CG1 3.94Å; Y153-I202 HydrophobicContact CG-CD1 3.58Å; Y153-I202 HydrophobicContact CG-CG1 4.32Å; Y153-I202 HydrophobicContact CG-CG2 4.41Å; I202-F234 WeakPolarHBondContact CA-O 3.1Å; I202-F234 HydrophobicContact CB-CB 4.11Å; I202-F234 HydrophobicContact CD1-CB 4.19Å; I202-F234 HydrophobicContact CG1-CB 4.06Å
203	I	98.8	Very high	98.7	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151	174.9	67	174.2	0	0	0	109.8	V146 I201 L219 I222 F234 D236 I252	V146-I203 HydrophobicContact CG2-CG2 4.28Å; I201-I203 HydrophobicContact CD1-CG2 3.95Å; I201-I203 HydrophobicContact CG1-CG2 4.02Å; I203-L219 HydrophobicContact CD1-CD2 3.93Å; I203-I222 HydrophobicContact CD1-CD1 4.45Å; I203-I222 HydrophobicContact CG2-CD1 4.15Å; I203-F234 PolarHBondContact N-O 2.79Å; I203-D236 PolarHBondContact O-N 2.81Å; I203-I252 HydrophobicContact CD1-CB 4.35Å; I203-I252 HydrophobicContact CD1-CD1 3.98Å; I203-I252 HydrophobicContact CD1-CG2 4.11Å
204	N	98.9	Very high	98.7	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.032	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	115.8	176.5	177	-135.5	0	0	0	109.7	Y153 N207 N208 D236	Y153-N204 HydrophobicContact CE2-CB 4.19Å; Y153-N204 WeakPolarHBondContact OH-CB 3.41Å; N204-N207 WeakPolarHBondContact O-CA 3.38Å; N204-N207 WeakPolarHBondContact O-CB 3.26Å; N204-N207 WeakPolarHBondContact OD1-CA 3.38Å; N204-N208 PolarHBondContact OD1-N 3.26Å; N204-D236 WeakPolarHBondContact CA-O 3.21Å; N204-D236 HydrophobicContact CB-CB 4.19Å; N204-D236 PolarHBondContact ND2-O 3.11Å
205	T	98.8	Very high	98.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-145.3	125.3	-177.3	-179.2	0	0	0	0	110.6	Y214 D236 E237 H249	T205-Y214 HydrophobicContact CG2-CD2 4.48Å; T205-Y214 PolarHBondContact OG1-N 2.84Å; T205-Y214 VanDerWaalsContact OG1-N 3.09Å; T205-D236 PolarHBondContact N-O 3.4Å; T205-D236 VanDerWaalsContact N-O 3.11Å; T205-E237 WeakPolarHBondContact O-CA 3.12Å; T205-H249 PolarHBondContact O-CE1 2.65Å
206	P	98.8	Very high	98.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	S	Bend	cis	-58.5	137	-11.4	-22.5	33.7	0	0	0	112.9	K212 V213 Y239 T243	P206-K212 CarbonylContact C-O 3.47Å; P206-K212 WeakPolarHBondContact CA-O 3.3Å; P206-V213 HydrophobicContact CB-CG2 4.06Å; P206-V213 HydrophobicContact CG-CG2 4.06Å; P206-Y239 VanDerWaalsContact CD-C 3.48Å; P206-Y239 WeakPolarHBondContact CG-O 3.34Å; P206-T243 HydrophobicContact CG-CG2 4.23Å
207	N	98.9	Very high	98.5	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.011	12%	0.121	C	C	.	.			trans	-72.7	142.6	-170.6	179	-84.4	0	0	0	113.3	P148 N204 L210 G211 K212	P148-N207 PolarHBondContact O-ND2 2.74Å; N204-N207 WeakPolarHBondContact O-CA 3.38Å; N204-N207 WeakPolarHBondContact O-CB 3.26Å; N204-N207 WeakPolarHBondContact OD1-CA 3.38Å; N207-L210 HydrophobicContact CB-CB 4.45Å; N207-L210 VanDerWaalsContact OD1-CB 3.22Å; N207-L210 WeakPolarHBondContact OD1-CB 3.03Å; N207-L210 PolarHBondContact OD1-N 2.95Å; N207-G211 WeakPolarHBondContact O-CA 3.27Å; N207-G211 PolarHBondContact O-N 2.94Å; N207-K212 HydrophobicContact CB-CB 4.27Å; N207-K212 PolarHBondContact N-O 2.85Å
208	N	98.5	Very high	98.4	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.021	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	121.4	160.9	164.4	36.5	0	0	0	108	F150 N204 Y239 F362 R420	F150-N208 WeakPolarHBondContact CD2-ND2 3.49Å; F150-N208 WeakPolarHBondContact CE2-ND2 3.34Å; N204-N208 PolarHBondContact OD1-N 3.26Å; N208-Y239 HydrophobicContact CB-CE2 3.81Å; N208-F362 HydrophobicContact CB-CD2 3.81Å; N208-F362 HydrophobicContact CB-CE2 3.81Å; N208-F362 WeakPolarHBondContact OD1-CD2 3.46Å; N208-F362 WeakPolarHBondContact OD1-CE2 3.5Å; N208-R420 PolarHBondContact OD1-NH1 3.5Å
209	P	98.1	Very high	98.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.4	-14.7	19.2	37.9	-41.3	0	0	0	117.3	P148 G211 F362 I364 V403 F406 R420	P148-P209 HydrophobicContact CB-CG 3.59Å; P148-P209 HydrophobicContact CG-CG 3.74Å; P209-G211 PolarHBondContact O-N 3.15Å; P209-F362 WeakPolarHBondContact O-CB 3.31Å; P209-I364 HydrophobicContact CB-CG2 4.06Å; P209-I364 HydrophobicContact CG-CG2 4.41Å; P209-I364 WeakPolarHBondContact O-CG2 3.42Å; P209-V403 HydrophobicContact CG-CG1 4.39Å; P209-F406 HydrophobicContact CB-CD2 3.75Å; P209-F406 HydrophobicContact CB-CE2 3.92Å; P209-F406 HydrophobicContact CB-CG 4.22Å; P209-F406 HydrophobicContact CG-CB 3.88Å; P209-F406 HydrophobicContact CG-CD2 3.58Å; P209-F406 HydrophobicContact CG-CE2 4.28Å; P209-F406 HydrophobicContact CG-CG 3.75Å; P209-R420 HydrophobicContact CB-CB 4.37Å; P209-R420 VanDerWaalsContact CB-CD 3.42Å; P209-R420 HydrophobicContact CB-CG 3.87Å
210	L	98.3	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-27.9	-162.4	176.5	61.7	0	0	0	114.6	P148 L169 S180 W183 N207 K212 V355 I364	P148-L210 HydrophobicContact CG-CB 3.96Å; L169-L210 HydrophobicContact CD1-CD2 3.72Å; S180-L210 WeakPolarHBondContact CB-O 3.34Å; W183-L210 HydrophobicContact CB-CD2 3.71Å; W183-L210 HydrophobicContact CD2-CD1 3.91Å; W183-L210 HydrophobicContact CD2-CD2 3.96Å; W183-L210 HydrophobicContact CE3-CD2 4.29Å; W183-L210 HydrophobicContact CG-CD1 3.92Å; W183-L210 HydrophobicContact CG-CD2 3.71Å; W183-L210 HydrophobicContact CG-CG 4.43Å; W183-L210 HydrophobicContact CZ2-CD1 4.45Å; N207-L210 HydrophobicContact CB-CB 4.45Å; N207-L210 VanDerWaalsContact OD1-CB 3.22Å; N207-L210 WeakPolarHBondContact OD1-CB 3.03Å; N207-L210 PolarHBondContact OD1-N 2.95Å; L210-K212 VanDerWaalsContact C-N 3.29Å; L210-K212 HydrophobicContact CD2-CB 3.8Å; L210-K212 HydrophobicContact CD2-CD 4.41Å; L210-K212 HydrophobicContact CG-CB 4.06Å; L210-K212 PolarHBondContact O-N 3.13Å; L210-V355 HydrophobicContact CD1-CG1 4.34Å; L210-I364 HydrophobicContact CD1-CD1 3.43Å; L210-I364 VanDerWaalsContact CD1-CD1 3.43Å; L210-I364 HydrophobicContact CD1-CG1 3.96Å
211	G	98.5	Very high	98.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.			trans	75.9	11.2	-174.1	0	0	0	0	0	115	S180 N207 P209 E358 G359	S180-G211 PolarHBondContact OG-O 3.37Å; N207-G211 WeakPolarHBondContact O-CA 3.27Å; N207-G211 PolarHBondContact O-N 2.94Å; P209-G211 PolarHBondContact O-N 3.15Å; G211-E358 CarbonylContact O-C 3.59Å; G211-E358 PolarHBondContact O-N 2.64Å; G211-G359 VanDerWaalsContact CA-O 3.25Å; G211-G359 WeakPolarHBondContact CA-O 3.36Å; G211-G359 PolarHBondContact O-N 3.09Å
212	K	98.7	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-62.6	133.9	174.4	177.7	-179.2	171.1	69.3	0	111	L169 S180 W183 P206 N207 L210 Y214 E218	L169-K212 HydrophobicContact CD1-CD 3.7Å; L169-K212 HydrophobicContact CD2-CD 4.3Å; S180-K212 WeakPolarHBondContact OG-CA 3.27Å; W183-K212 WeakPolarHBondContact O-CE 3.22Å; W183-K212 PolarHBondContact O-NZ 3.49Å; P206-K212 CarbonylContact C-O 3.47Å; P206-K212 WeakPolarHBondContact CA-O 3.3Å; N207-K212 HydrophobicContact CB-CB 4.27Å; N207-K212 PolarHBondContact N-O 2.85Å; L210-K212 VanDerWaalsContact C-N 3.29Å; L210-K212 HydrophobicContact CD2-CB 3.8Å; L210-K212 HydrophobicContact CD2-CD 4.41Å; L210-K212 HydrophobicContact CG-CB 4.06Å; L210-K212 PolarHBondContact O-N 3.13Å; K212-Y214 HydrophobicContact CD-CD2 4.28Å; K212-Y214 HydrophobicContact CD-CE2 4.05Å; K212-Y214 HydrophobicContact CG-CD2 4.31Å; K212-Y214 HydrophobicContact CG-CE2 4.43Å; K212-E218 VanDerWaalsContact CE-OE1 3.24Å; K212-E218 WeakPolarHBondContact CE-OE1 3.45Å; K212-E218 WeakPolarHBondContact CE-OE2 3.35Å; K212-E218 IonicContact NZ-OE1 3.25Å; K212-E218 PolarHBondContact NZ-OE1 2.95Å; K212-E218 IonicContact NZ-OE2 2.69Å; K212-E218 PolarHBondContact NZ-OE2 2.71Å
213	V	98.8	Very high	98.4	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.03	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-102.1	122.8	165.6	-176.1	0	0	0	0	107.2	P206 T243 A247 E358	P206-V213 HydrophobicContact CB-CG2 4.06Å; P206-V213 HydrophobicContact CG-CG2 4.06Å; V213-T243 HydrophobicContact CG1-CG2 4.33Å; V213-T243 HydrophobicContact CG2-CG2 4.01Å; V213-A247 HydrophobicContact CB-CB 4.33Å; V213-A247 HydrophobicContact CG2-CB 4.27Å; V213-E358 HydrophobicContact CB-CB 4.11Å; V213-E358 VanDerWaalsContact CG2-C 3.49Å; V213-E358 HydrophobicContact CG2-CB 3.71Å; V213-E358 WeakPolarHBondContact CG2-O 3.34Å
214	Y	98.5	Very high	98.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.008	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-70.9	133.5	-178.8	-81.7	-115.8	0	0	0	110.5	V146 L185 T205 K212 E218 L219 I222	V146-Y214 WeakPolarHBondContact CG1-OH 3.47Å; L185-Y214 HydrophobicContact CD2-CE1 4.15Å; T205-Y214 HydrophobicContact CG2-CD2 4.48Å; T205-Y214 PolarHBondContact OG1-N 2.84Å; T205-Y214 VanDerWaalsContact OG1-N 3.09Å; K212-Y214 HydrophobicContact CD-CD2 4.28Å; K212-Y214 HydrophobicContact CD-CE2 4.05Å; K212-Y214 HydrophobicContact CG-CD2 4.31Å; K212-Y214 HydrophobicContact CG-CE2 4.43Å; Y214-E218 HydrophobicContact CD1-CB 4.03Å; Y214-L219 HydrophobicContact CD1-CD2 4.16Å; Y214-L219 HydrophobicContact CG-CD2 4.18Å; Y214-I222 HydrophobicContact CD1-CD1 3.98Å; Y214-I222 HydrophobicContact CE1-CD1 3.91Å
215	K	96.4	Very high	98.4	Very high	95 Å²	95	26 Å²	26	41%	0.413	13%	0.129	S	C	.	.	P	Polyproline II helix	trans	-80.7	159.7	178.3	-61	173.9	-179.2	163.8	0	110.5	E217 E218 L219	K215-E217 VanDerWaalsContact CB-OE2 3.3Å; K215-E217 WeakPolarHBondContact CB-OE2 3.44Å; K215-E217 PolarHBondContact O-N 2.91Å; K215-E218 HydrophobicContact CB-CG 4.42Å; K215-E218 PolarHBondContact N-OE2 3.47Å; K215-E218 PolarHBondContact O-N 2.87Å; K215-L219 PolarHBondContact O-N 3.1Å
216	V	97.2	Very high	98.4	Very high	68 Å²	68	26 Å²	26	41%	0.412	13%	0.129	S	C	.	.	H	α-helix	trans	-56.3	-37.6	-178.2	177.1	0	0	0	0	111.1	L219 Q220 V250	V216-L219 PolarHBondContact O-N 3.05Å; V216-Q220 VanDerWaalsContact O-CB 3.31Å; V216-Q220 WeakPolarHBondContact O-CB 3.26Å; V216-Q220 PolarHBondContact O-N 3.28Å; V216-V250 HydrophobicContact CG2-CG1 4.44Å; V216-V250 HydrophobicContact CG2-CG2 3.94Å
217	E	97.2	Very high	98.4	Very high	137 Å²	137	29.3 Å²	29.3	64%	0.64	15%	0.146	S	C	*	.	H	α-helix	trans	-67.9	-36.3	-179.9	-55	73.9	-160.7	0	0	112	K215 M221	K215-E217 VanDerWaalsContact CB-OE2 3.3Å; K215-E217 WeakPolarHBondContact CB-OE2 3.44Å; K215-E217 PolarHBondContact O-N 2.91Å; E217-M221 WeakPolarHBondContact O-CB 3.45Å; E217-M221 PolarHBondContact O-N 3.41Å; E217-M221 VanDerWaalsContact O-N 3.08Å
218	E	97.8	Very high	98.4	Very high	25 Å²	25	36 Å²	36	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-71.2	-42.4	175.9	-60.4	179.4	110.9	0	0	110.9	K212 Y214 K215 M221 I222	K212-E218 VanDerWaalsContact CE-OE1 3.24Å; K212-E218 WeakPolarHBondContact CE-OE1 3.45Å; K212-E218 WeakPolarHBondContact CE-OE2 3.35Å; K212-E218 IonicContact NZ-OE1 3.25Å; K212-E218 PolarHBondContact NZ-OE1 2.95Å; K212-E218 IonicContact NZ-OE2 2.69Å; K212-E218 PolarHBondContact NZ-OE2 2.71Å; Y214-E218 HydrophobicContact CD1-CB 4.03Å; K215-E218 HydrophobicContact CB-CG 4.42Å; K215-E218 PolarHBondContact N-OE2 3.47Å; K215-E218 PolarHBondContact O-N 2.87Å; E218-M221 PolarHBondContact O-N 3.17Å; E218-I222 WeakPolarHBondContact O-CD1 3.14Å; E218-I222 WeakPolarHBondContact O-CG1 3.27Å; E218-I222 PolarHBondContact O-N 2.88Å; E218-I222 VanDerWaalsContact O-N 3.07Å
219	L	98.8	Very high	98.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.2	-37	176	-64.1	179.2	0	0	0	112.3	I203 Y214 K215 V216 I222 A223 V250 I252 L255	I203-L219 HydrophobicContact CD1-CD2 3.93Å; Y214-L219 HydrophobicContact CD1-CD2 4.16Å; Y214-L219 HydrophobicContact CG-CD2 4.18Å; K215-L219 PolarHBondContact O-N 3.1Å; V216-L219 PolarHBondContact O-N 3.05Å; L219-I222 HydrophobicContact CD2-CD1 4.38Å; L219-I222 PolarHBondContact O-N 2.86Å; L219-A223 VanDerWaalsContact O-CB 3.3Å; L219-A223 WeakPolarHBondContact O-CB 3.3Å; L219-A223 PolarHBondContact O-N 3.37Å; L219-V250 HydrophobicContact CD1-CB 3.76Å; L219-V250 HydrophobicContact CD1-CG1 3.86Å; L219-V250 VanDerWaalsContact CD1-O 3.27Å; L219-V250 WeakPolarHBondContact CD1-O 3.41Å; L219-I252 HydrophobicContact CB-CG1 4.38Å; L219-I252 HydrophobicContact CD2-CB 4.33Å; L219-I252 HydrophobicContact CD2-CD1 4.35Å; L219-L255 HydrophobicContact CB-CD1 3.89Å
220	Q	98.7	Very high	98.4	Very high	63 Å²	63	45 Å²	45	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-65.6	-41.9	174.8	-171.8	63.2	56.5	0	0	111	V216 I222 A223 D224	V216-Q220 VanDerWaalsContact O-CB 3.31Å; V216-Q220 WeakPolarHBondContact O-CB 3.26Å; V216-Q220 PolarHBondContact O-N 3.28Å; Q220-I222 VanDerWaalsContact C-N 3.35Å; Q220-I222 PolarHBondContact O-N 2.61Å; Q220-A223 WeakPolarHBondContact O-CB 3.46Å; Q220-A223 PolarHBondContact O-N 3Å; Q220-A223 VanDerWaalsContact O-N 3.16Å; Q220-D224 PolarHBondContact NE2-OD1 2.81Å; Q220-D224 WeakPolarHBondContact O-CB 3.22Å; Q220-D224 PolarHBondContact O-N 2.82Å
221	M	98.6	Very high	98.4	Very high	36 Å²	36	45.2 Å²	45.2	18%	0.177	22%	0.221	C	C	.	.	H	α-helix	trans	-60	-43.1	174.5	-179.3	-79.6	-64.7	0	0	112.1	L185 A187 L190 E217 E218 L225	L185-M221 HydrophobicContact CB-CE 4.35Å; L185-M221 HydrophobicContact CD2-CE 3.97Å; L185-M221 HydrophobicContact CG-CE 3.99Å; A187-M221 HydrophobicContact CB-CE 4.36Å; A187-M221 HydrophobicContact CB-CG 3.8Å; A187-M221 HydrophobicContact CB-SD 3.79Å; L190-M221 HydrophobicContact CD2-CE 4.04Å; L190-M221 HydrophobicContact CD2-SD 3.87Å; E217-M221 WeakPolarHBondContact O-CB 3.45Å; E217-M221 PolarHBondContact O-N 3.41Å; E217-M221 VanDerWaalsContact O-N 3.08Å; E218-M221 PolarHBondContact O-N 3.17Å; M221-L225 WeakPolarHBondContact O-CG 3.22Å; M221-L225 PolarHBondContact O-N 2.82Å; M221-L225 HydrophobicContact SD-CD1 3.7Å
222	I	98.8	Very high	98.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-43.9	173.6	-65.7	155.6	0	0	0	110.8	L185 L190 I201 I203 Y214 E218 L219 Q220 L225 C226 I252	L185-I222 HydrophobicContact CD2-CD1 3.92Å; L185-I222 HydrophobicContact CD2-CG1 4.01Å; L190-I222 HydrophobicContact CD2-CG1 4.34Å; I201-I222 HydrophobicContact CD1-CG2 4.14Å; I201-I222 HydrophobicContact CG2-CG2 4.18Å; I203-I222 HydrophobicContact CD1-CD1 4.45Å; I203-I222 HydrophobicContact CG2-CD1 4.15Å; Y214-I222 HydrophobicContact CD1-CD1 3.98Å; Y214-I222 HydrophobicContact CE1-CD1 3.91Å; E218-I222 WeakPolarHBondContact O-CD1 3.14Å; E218-I222 WeakPolarHBondContact O-CG1 3.27Å; E218-I222 PolarHBondContact O-N 2.88Å; E218-I222 VanDerWaalsContact O-N 3.07Å; L219-I222 HydrophobicContact CD2-CD1 4.38Å; L219-I222 PolarHBondContact O-N 2.86Å; Q220-I222 VanDerWaalsContact C-N 3.35Å; Q220-I222 PolarHBondContact O-N 2.61Å; I222-L225 PolarHBondContact O-N 3.5Å; I222-C226 PolarHBondContact O-N 2.96Å; I222-C226 PolarHBondContact O-SG 3.24Å; I222-I252 HydrophobicContact CB-CD1 3.92Å; I222-I252 HydrophobicContact CG2-CD1 3.58Å
223	A	98.9	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-46.3	179.8	0	0	0	0	0	112.3	L219 Q220 L225 C226 I227 I252 L255 M258	L219-A223 VanDerWaalsContact O-CB 3.3Å; L219-A223 WeakPolarHBondContact O-CB 3.3Å; L219-A223 PolarHBondContact O-N 3.37Å; Q220-A223 WeakPolarHBondContact O-CB 3.46Å; Q220-A223 PolarHBondContact O-N 3Å; Q220-A223 VanDerWaalsContact O-N 3.16Å; A223-L225 VanDerWaalsContact C-N 3.29Å; A223-L225 PolarHBondContact O-N 2.96Å; A223-C226 PolarHBondContact O-N 3.11Å; A223-C226 VanDerWaalsContact O-N 3.13Å; A223-I227 WeakPolarHBondContact O-CB 3.32Å; A223-I227 VanDerWaalsContact O-CG1 3.31Å; A223-I227 WeakPolarHBondContact O-CG1 3.19Å; A223-I227 PolarHBondContact O-N 3.12Å; A223-I252 HydrophobicContact CB-CD1 4.45Å; A223-I252 HydrophobicContact CB-CG1 4.45Å; A223-L255 HydrophobicContact CB-CD1 4.08Å; A223-M258 VanDerWaalsContact CA-SD 3.53Å; A223-M258 HydrophobicContact CB-CE 4.17Å; A223-M258 HydrophobicContact CB-CG 3.56Å; A223-M258 HydrophobicContact CB-SD 3.53Å; A223-M258 VanDerWaalsContact CB-SD 3.53Å
224	D	98.8	Very high	98.5	Very high	89 Å²	89	46.2 Å²	46.2	48%	0.476	23%	0.226	S	C	.	.	H	α-helix	trans	-58.4	-41.9	177.7	-68.1	-16.3	0	0	0	111.2	Q220 K228	Q220-D224 PolarHBondContact NE2-OD1 2.81Å; Q220-D224 WeakPolarHBondContact O-CB 3.22Å; Q220-D224 PolarHBondContact O-N 2.82Å; D224-K228 WeakPolarHBondContact O-CB 3.18Å; D224-K228 PolarHBondContact O-N 3.1Å
225	L	98.8	Very high	98.5	Very high	18 Å²	18	46.1 Å²	46.1	9%	0.094	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-42.4	174.8	-70	175.8	0	0	0	112.3	L190 I194 M221 I222 A223 I227 K228 H229	L190-L225 HydrophobicContact CB-CD1 4.49Å; L190-L225 HydrophobicContact CD2-CD1 3.61Å; L190-L225 HydrophobicContact CG-CD1 3.81Å; I194-L225 HydrophobicContact CD1-CB 4.09Å; I194-L225 HydrophobicContact CD1-CD1 4.22Å; I194-L225 HydrophobicContact CD1-CD2 4.13Å; I194-L225 HydrophobicContact CD1-CG 4.39Å; M221-L225 WeakPolarHBondContact O-CG 3.22Å; M221-L225 PolarHBondContact O-N 2.82Å; M221-L225 HydrophobicContact SD-CD1 3.7Å; I222-L225 PolarHBondContact O-N 3.5Å; A223-L225 VanDerWaalsContact C-N 3.29Å; A223-L225 PolarHBondContact O-N 2.96Å; L225-I227 VanDerWaalsContact C-N 3.34Å; L225-I227 PolarHBondContact O-N 3.2Å; L225-K228 PolarHBondContact O-N 3.24Å; L225-H229 WeakPolarHBondContact O-CB 3.25Å; L225-H229 PolarHBondContact O-CD2 3Å; L225-H229 PolarHBondContact O-N 3.22Å
226	C	98.9	Very high	98.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-41.5	176.8	-66.9	0	0	0	0	112.1	I201 I222 A223 D230 L231 M258 R261	I201-C226 VanDerWaalsContact CG2-SG 3.58Å; I222-C226 PolarHBondContact O-N 2.96Å; I222-C226 PolarHBondContact O-SG 3.24Å; A223-C226 PolarHBondContact O-N 3.11Å; A223-C226 VanDerWaalsContact O-N 3.13Å; C226-D230 CarbonylContact O-C 3.5Å; C226-D230 VanDerWaalsContact O-CA 3.3Å; C226-D230 WeakPolarHBondContact O-CA 3.41Å; C226-D230 PolarHBondContact O-N 3.03Å; C226-L231 HydrophobicContact CB-CB 4.3Å; C226-L231 PolarHBondContact O-N 3.16Å; C226-M258 HydrophobicContact CB-CE 3.85Å; C226-M258 HydrophobicContact CB-SD 4.1Å; C226-R261 PolarHBondContact O-NH1 3.34Å
227	I	98.8	Very high	98.7	Very high	70 Å²	70	38.6 Å²	38.6	36%	0.359	19%	0.188	S	C	.	.	H	α-helix	trans	-70	-47	178.3	-67.4	164.4	0	0	0	110.5	A223 L225 H229 D230 P256 M258	A223-I227 WeakPolarHBondContact O-CB 3.32Å; A223-I227 VanDerWaalsContact O-CG1 3.31Å; A223-I227 WeakPolarHBondContact O-CG1 3.19Å; A223-I227 PolarHBondContact O-N 3.12Å; L225-I227 VanDerWaalsContact C-N 3.34Å; L225-I227 PolarHBondContact O-N 3.2Å; I227-H229 VanDerWaalsContact C-N 3.31Å; I227-H229 PolarHBondContact O-N 3.1Å; I227-D230 PolarHBondContact O-N 3.32Å; I227-P256 WeakPolarHBondContact CD1-O 3.39Å; I227-M258 HydrophobicContact CD1-SD 4.13Å; I227-M258 HydrophobicContact CG1-SD 4.02Å
228	K	98.6	Very high	98.8	Very high	143 Å²	143	32.6 Å²	32.6	62%	0.622	16%	0.161	S	C	*	.	H	α-helix	trans	-62.6	-34.9	-178.4	177.5	-174.5	168.5	-145.1	0	113.5	D224 L225	D224-K228 WeakPolarHBondContact O-CB 3.18Å; D224-K228 PolarHBondContact O-N 3.1Å; L225-K228 PolarHBondContact O-N 3.24Å
229	H	98.6	Very high	98.8	Very high	73 Å²	73	31.8 Å²	31.8	34%	0.338	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	8.9	-175.6	-65.9	-88.1	0	0	0	113.5	I194 L225 I227 L231	I194-H229 HydrophobicContact CG2-CB 3.96Å; L225-H229 WeakPolarHBondContact O-CB 3.25Å; L225-H229 PolarHBondContact O-CD2 3Å; L225-H229 PolarHBondContact O-N 3.22Å; I227-H229 VanDerWaalsContact C-N 3.31Å; I227-H229 PolarHBondContact O-N 3.1Å; H229-L231 VanDerWaalsContact C-N 3.28Å; H229-L231 HydrophobicContact CB-CD1 4.24Å; H229-L231 HydrophobicContact CB-CD2 3.95Å; H229-L231 HydrophobicContact CB-CG 3.84Å; H229-L231 WeakPolarHBondContact O-CD2 3.18Å; H229-L231 PolarHBondContact O-N 3.4Å
230	D	98.6	Very high	98.8	Very high	118 Å²	118	32 Å²	32	63%	0.631	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	39.8	-175.5	-156.3	34	0	0	0	115.3	C226 I227 R261	C226-D230 CarbonylContact O-C 3.5Å; C226-D230 VanDerWaalsContact O-CA 3.3Å; C226-D230 WeakPolarHBondContact O-CA 3.41Å; C226-D230 PolarHBondContact O-N 3.03Å; I227-D230 PolarHBondContact O-N 3.32Å; D230-R261 IonicContact OD1-CZ 2.66Å; D230-R261 VanDerWaalsContact OD1-CZ 3.3Å; D230-R261 IonicContact OD1-NH1 2.81Å; D230-R261 PolarHBondContact OD1-NH1 3.19Å; D230-R261 IonicContact OD1-NH2 2.67Å; D230-R261 PolarHBondContact OD1-NH2 2.84Å
231	L	98.9	Very high	98.8	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	15%	0.15	C	C	.	.			trans	-81.7	153.1	179.2	-44.3	-179.6	0	0	0	111.4	I194 T198 C226 H229 R261	I194-L231 HydrophobicContact CD1-CD1 4.17Å; I194-L231 HydrophobicContact CG1-CD1 4.35Å; I194-L231 HydrophobicContact CG2-CD1 4.49Å; T198-L231 HydrophobicContact CG2-CD1 4.06Å; T198-L231 HydrophobicContact CG2-CD2 3.83Å; T198-L231 WeakPolarHBondContact O-CD2 3.47Å; C226-L231 HydrophobicContact CB-CB 4.3Å; C226-L231 PolarHBondContact O-N 3.16Å; H229-L231 VanDerWaalsContact C-N 3.28Å; H229-L231 HydrophobicContact CB-CD1 4.24Å; H229-L231 HydrophobicContact CB-CD2 3.95Å; H229-L231 HydrophobicContact CB-CG 3.84Å; H229-L231 WeakPolarHBondContact O-CD2 3.18Å; H229-L231 PolarHBondContact O-N 3.4Å; L231-R261 PolarHBondContact O-NH1 3.43Å
232	L	98.9	Very high	98.7	Very high	23 Å²	23	29 Å²	29	12%	0.12	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	151.4	162.5	-61.1	173.7	0	0	0	110.8	L136 K199 A200 I201 F234 R261 L288	L136-L232 HydrophobicContact CB-CD1 4Å; L136-L232 HydrophobicContact CD1-CD1 4.16Å; L136-L232 HydrophobicContact CD2-CD1 4.45Å; L136-L232 HydrophobicContact CG-CD1 4.43Å; K199-L232 PolarHBondContact O-N 3.47Å; A200-L232 CarbonylContact C-O 3.6Å; A200-L232 WeakPolarHBondContact CA-O 3.32Å; A200-L232 HydrophobicContact CB-CB 4Å; I201-L232 PolarHBondContact N-O 2.76Å; L232-F234 HydrophobicContact CB-CE1 4.11Å; L232-F234 HydrophobicContact CD1-CE1 4.27Å; L232-R261 CarbonylContact C-O 3.55Å; L232-R261 WeakPolarHBondContact CA-O 3.49Å; L232-R261 HydrophobicContact CD2-CB 4.38Å; L232-L288 HydrophobicContact CD2-CD1 3.93Å; L232-L288 HydrophobicContact CD2-CD2 4.09Å
233	C	98.9	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.1	171.2	-175.7	0	0	0	0	110.3	I201 M258 R261 T262 I263	I201-C233 HydrophobicContact CG2-CB 4.26Å; I201-C233 WeakPolarHBondContact O-CA 3.42Å; C233-M258 HydrophobicContact CB-CE 3.86Å; C233-R261 PolarHBondContact N-O 2.88Å; C233-T262 HydrophobicContact CB-CG2 4.28Å; C233-T262 CarbonylContact O-C 3.27Å; C233-T262 VanDerWaalsContact O-CA 3.25Å; C233-T262 WeakPolarHBondContact O-CA 3.2Å; C233-I263 PolarHBondContact O-N 3.09Å
234	F	98.9	Very high	98.7	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.013	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	110.7	168.8	-56.6	-19.5	0	0	0	107.6	A132 F133 L136 I137 A200 I201 I202 I203 L232 I263	A132-F234 HydrophobicContact CB-CE1 4.46Å; A132-F234 HydrophobicContact CB-CZ 4.46Å; F133-F234 HydrophobicContact CD1-CD2 4.1Å; F133-F234 AromaticContact CD1-CE2 3.71Å; F133-F234 HydrophobicContact CD1-CE2 3.71Å; F133-F234 AromaticContact CE1-CD2 3.67Å; F133-F234 HydrophobicContact CE1-CD2 3.67Å; F133-F234 AromaticContact CE1-CE2 3.72Å; F133-F234 HydrophobicContact CE1-CE2 3.72Å; F133-F234 HydrophobicContact CG-CE2 4.45Å; F133-F234 HydrophobicContact CZ-CD2 4.07Å; L136-F234 HydrophobicContact CB-CZ 4.18Å; L136-F234 HydrophobicContact CD1-CE1 4Å; L136-F234 HydrophobicContact CD1-CZ 4.28Å; I137-F234 HydrophobicContact CD1-CE2 4.15Å; I137-F234 HydrophobicContact CD1-CZ 4.17Å; I137-F234 HydrophobicContact CG1-CE2 4.33Å; A200-F234 HydrophobicContact CB-CD2 4.39Å; A200-F234 HydrophobicContact CB-CE1 4.38Å; A200-F234 HydrophobicContact CB-CE2 3.99Å; A200-F234 HydrophobicContact CB-CZ 3.98Å; I201-F234 PolarHBondContact O-N 2.97Å; I202-F234 WeakPolarHBondContact CA-O 3.1Å; I202-F234 HydrophobicContact CB-CB 4.11Å; I202-F234 HydrophobicContact CD1-CB 4.19Å; I202-F234 HydrophobicContact CG1-CB 4.06Å; I203-F234 PolarHBondContact N-O 2.79Å; L232-F234 HydrophobicContact CB-CE1 4.11Å; L232-F234 HydrophobicContact CD1-CE1 4.27Å; F234-I263 HydrophobicContact CD1-CB 4.29Å; F234-I263 HydrophobicContact CD1-CD1 4.08Å; F234-I263 HydrophobicContact CE1-CD1 3.91Å
235	S	98.9	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	100.7	-177.5	-163.2	0	0	0	0	109.4	E237 I263 V265	S235-E237 WeakPolarHBondContact CB-OE1 3.48Å; S235-E237 PolarHBondContact O-N 3.41Å; S235-E237 VanDerWaalsContact OG-CG 3.27Å; S235-E237 WeakPolarHBondContact OG-CG 3.2Å; S235-E237 PolarHBondContact OG-OE1 3.49Å; S235-I263 PolarHBondContact N-O 3.38Å; S235-V265 PolarHBondContact O-N 3.17Å
236	D	98.9	Very high	98.2	Very high	5 Å²	5	34 Å²	34	3%	0.027	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	105.1	172	-172.8	-18	0	0	0	109.1	L129 Y153 I203 N204 T205 V238	L129-D236 HydrophobicContact CD2-CB 4.46Å; Y153-D236 VanDerWaalsContact OH-CB 3.24Å; Y153-D236 WeakPolarHBondContact OH-CB 3.31Å; Y153-D236 PolarHBondContact OH-OD2 3.04Å; I203-D236 PolarHBondContact O-N 2.81Å; N204-D236 WeakPolarHBondContact CA-O 3.21Å; N204-D236 HydrophobicContact CB-CB 4.19Å; N204-D236 PolarHBondContact ND2-O 3.11Å; T205-D236 PolarHBondContact N-O 3.4Å; T205-D236 VanDerWaalsContact N-O 3.11Å; D236-V238 VanDerWaalsContact OD1-CG1 3.29Å; D236-V238 WeakPolarHBondContact OD1-CG1 3.48Å; D236-V238 WeakPolarHBondContact OD1-CG2 3.43Å; D236-V238 PolarHBondContact OD1-N 3.11Å
237	E	98.9	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.			trans	-117.5	25.3	-172.4	-59.8	-177.7	-159.1	0	0	111.9	T205 S235 Y239 E240 H249 K251 T264 V265	T205-E237 WeakPolarHBondContact O-CA 3.12Å; S235-E237 WeakPolarHBondContact CB-OE1 3.48Å; S235-E237 PolarHBondContact O-N 3.41Å; S235-E237 VanDerWaalsContact OG-CG 3.27Å; S235-E237 WeakPolarHBondContact OG-CG 3.2Å; S235-E237 PolarHBondContact OG-OE1 3.49Å; E237-Y239 PolarHBondContact O-N 3.21Å; E237-E240 VanDerWaalsContact O-CB 3.28Å; E237-E240 WeakPolarHBondContact O-CB 3.41Å; E237-E240 WeakPolarHBondContact O-CG 3.11Å; E237-E240 PolarHBondContact O-N 3.28Å; E237-H249 IonicContact OE2-CD2 2.7Å; E237-H249 IonicContact OE2-CE1 3.92Å; E237-H249 IonicContact OE2-NE2 2.75Å; E237-H249 PolarHBondContact OE2-NE2 2.82Å; E237-K251 VanDerWaalsContact OE2-CG 3.24Å; E237-K251 WeakPolarHBondContact OE2-CG 3.48Å; E237-K251 IonicContact OE2-NZ 2.89Å; E237-K251 PolarHBondContact OE2-NZ 3.37Å; E237-T264 HydrophobicContact CB-CG2 4.41Å; E237-T264 HydrophobicContact CG-CG2 4.28Å; E237-V265 CarbonylContact C-O 3.52Å; E237-V265 PolarHBondContact N-O 2.88Å
238	V	98.9	Very high	98	Very high	11 Å²	11	39.5 Å²	39.5	7%	0.067	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.4	-175.7	-64.2	0	0	0	0	114.9	A125 D236 K270	A125-V238 HydrophobicContact CB-CG1 3.32Å; D236-V238 VanDerWaalsContact OD1-CG1 3.29Å; D236-V238 WeakPolarHBondContact OD1-CG1 3.48Å; D236-V238 WeakPolarHBondContact OD1-CG2 3.43Å; D236-V238 PolarHBondContact OD1-N 3.11Å; V238-K270 HydrophobicContact CB-CB 4.4Å; V238-K270 HydrophobicContact CB-CG 4.07Å; V238-K270 HydrophobicContact CG2-CG 4.26Å; V238-K270 WeakPolarHBondContact O-CB 3.33Å
239	Y	98.8	Very high	97.9	Very high	8 Å²	8	34.4 Å²	34.4	3%	0.031	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	11.6	178	-62.9	-70.1	0	0	0	113.7	P206 N208 E237 W241 L242 K270 Y361 F362	P206-Y239 VanDerWaalsContact CD-C 3.48Å; P206-Y239 WeakPolarHBondContact CG-O 3.34Å; N208-Y239 HydrophobicContact CB-CE2 3.81Å; E237-Y239 PolarHBondContact O-N 3.21Å; Y239-W241 PolarHBondContact O-N 2.88Å; Y239-L242 HydrophobicContact CD1-CD1 3.71Å; Y239-L242 HydrophobicContact CG-CD1 4.48Å; Y239-L242 VanDerWaalsContact O-CB 3.31Å; Y239-L242 WeakPolarHBondContact O-CB 3.32Å; Y239-L242 PolarHBondContact O-N 3.05Å; Y239-K270 HydrophobicContact CE1-CD 3.73Å; Y239-K270 HydrophobicContact CE1-CG 4.15Å; Y239-K270 VanDerWaalsContact OH-CE 3.25Å; Y239-K270 WeakPolarHBondContact OH-CE 3.34Å; Y239-K270 PolarHBondContact OH-NZ 2.99Å; Y239-Y361 HydrophobicContact CD1-CD1 4.01Å; Y239-Y361 HydrophobicContact CD1-CE1 4.43Å; Y239-Y361 HydrophobicContact CD1-CG 4.21Å; Y239-Y361 AromaticContact CE1-CD1 3.91Å; Y239-Y361 HydrophobicContact CE1-CD1 3.91Å; Y239-Y361 AromaticContact CE1-CD2 3.89Å; Y239-Y361 HydrophobicContact CE1-CD2 3.89Å; Y239-Y361 HydrophobicContact CE1-CE1 4.4Å; Y239-Y361 HydrophobicContact CE1-CE2 4.33Å; Y239-Y361 AromaticContact CE1-CG 3.66Å; Y239-Y361 HydrophobicContact CE1-CG 3.66Å; Y239-F362 HydrophobicContact CE1-CE2 4.48Å; Y239-F362 HydrophobicContact CE2-CE2 4.34Å; Y239-F362 AromaticContact CZ-CE2 3.81Å; Y239-F362 VanDerWaalsContact OH-CE2 3.3Å; Y239-F362 WeakPolarHBondContact OH-CE2 3.47Å
240	E	98.5	Very high	97.9	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.028	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-32.4	-172.6	58.3	179.9	142.3	0	0	116.4	F105 E237 L242 H249 K251	F105-E240 WeakPolarHBondContact CE1-OE2 3.28Å; F105-E240 WeakPolarHBondContact CZ-OE1 3.35Å; E237-E240 VanDerWaalsContact O-CB 3.28Å; E237-E240 WeakPolarHBondContact O-CB 3.41Å; E237-E240 WeakPolarHBondContact O-CG 3.11Å; E237-E240 PolarHBondContact O-N 3.28Å; E240-L242 VanDerWaalsContact C-N 3.29Å; E240-L242 PolarHBondContact O-N 3.33Å; E240-H249 VanDerWaalsContact CB-CD2 3.44Å; E240-H249 WeakPolarHBondContact CB-CD2 3.42Å; E240-H249 WeakPolarHBondContact O-CB 3.04Å; E240-K251 IonicContact OE1-NZ 2.65Å; E240-K251 WeakPolarHBondContact OE2-CE 3.29Å; E240-K251 IonicContact OE2-NZ 3.3Å; E240-K251 PolarHBondContact OE2-NZ 3.34Å
241	W	98	Very high	97.9	Very high	33 Å²	33	27.1 Å²	27.1	13%	0.125	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	5.4	-179.3	-52.7	114.7	0	0	0	114.3	F104 F105 V108 Y239 F322 F329 P333	F104-W241 AromaticContact CE1-CH2 3.53Å; F104-W241 HydrophobicContact CE1-CH2 3.53Å; F104-W241 AromaticContact CE1-CZ2 3.66Å; F104-W241 HydrophobicContact CE1-CZ2 3.66Å; F104-W241 HydrophobicContact CZ-CH2 4.04Å; F104-W241 HydrophobicContact CZ-CZ2 4.19Å; F105-W241 HydrophobicContact CE1-CZ2 4.12Å; F105-W241 HydrophobicContact CZ-CZ2 4.4Å; V108-W241 HydrophobicContact CG2-CH2 4.36Å; Y239-W241 PolarHBondContact O-N 2.88Å; W241-F322 HydrophobicContact CE3-CE2 4.37Å; W241-F322 HydrophobicContact CH2-CE2 4.11Å; W241-F322 HydrophobicContact CH2-CZ 4.39Å; W241-F322 AromaticContact CZ3-CE2 3.62Å; W241-F322 HydrophobicContact CZ3-CE2 3.62Å; W241-F322 AromaticContact CZ3-CZ 3.98Å; W241-F322 HydrophobicContact CZ3-CZ 3.98Å; W241-F329 HydrophobicContact CB-CB 4.2Å; W241-F329 HydrophobicContact CB-CD1 4.19Å; W241-F329 HydrophobicContact CB-CG 4.19Å; W241-F329 HydrophobicContact CD2-CB 4.16Å; W241-F329 HydrophobicContact CD2-CD1 4.19Å; W241-F329 AromaticContact CD2-CD2 3.52Å; W241-F329 HydrophobicContact CD2-CD2 3.52Å; W241-F329 AromaticContact CD2-CE2 3.87Å; W241-F329 HydrophobicContact CD2-CE2 3.87Å; W241-F329 AromaticContact CD2-CG 3.7Å; W241-F329 HydrophobicContact CD2-CG 3.7Å; W241-F329 HydrophobicContact CD2-CZ 4.38Å; W241-F329 AromaticContact CE2-CD2 3.79Å; W241-F329 AromaticContact CE2-CE2 3.63Å; W241-F329 HydrophobicContact CE3-CB 4.02Å; W241-F329 AromaticContact CE3-CD2 3.66Å; W241-F329 HydrophobicContact CE3-CD2 3.66Å; W241-F329 HydrophobicContact CE3-CE2 4.35Å; W241-F329 AromaticContact CE3-CG 3.96Å; W241-F329 HydrophobicContact CE3-CG 3.96Å; W241-F329 HydrophobicContact CG-CB 4.24Å; W241-F329 AromaticContact CG-CD1 3.83Å; W241-F329 HydrophobicContact CG-CD1 3.83Å; W241-F329 HydrophobicContact CG-CD2 4.06Å; W241-F329 HydrophobicContact CG-CE1 4.21Å; W241-F329 HydrophobicContact CG-CE2 4.38Å; W241-F329 AromaticContact CG-CG 3.78Å; W241-F329 HydrophobicContact CG-CG 3.78Å; W241-F329 HydrophobicContact CG-CZ 4.46Å; W241-F329 HydrophobicContact CH2-CD2 4.42Å; W241-F329 HydrophobicContact CZ2-CD2 4.24Å; W241-F329 AromaticContact CZ2-CE2 3.99Å; W241-F329 HydrophobicContact CZ2-CE2 3.99Å; W241-F329 HydrophobicContact CZ3-CD2 4.13Å; W241-F329 AromaticContact NE1-CE2 3.92Å; W241-F329 AromaticContact NE1-CZ 3.87Å; W241-P333 WeakPolarHBondContact O-CG 3.29Å
242	L	98.3	Very high	97.9	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	15%	0.153	C	C	.	.			trans	-124.8	70.6	-166	-59.9	157.9	0	0	0	108.8	Y239 E240 L332 L336 G359 G360 Y361	Y239-L242 HydrophobicContact CD1-CD1 3.71Å; Y239-L242 HydrophobicContact CG-CD1 4.48Å; Y239-L242 VanDerWaalsContact O-CB 3.31Å; Y239-L242 WeakPolarHBondContact O-CB 3.32Å; Y239-L242 PolarHBondContact O-N 3.05Å; E240-L242 VanDerWaalsContact C-N 3.29Å; E240-L242 PolarHBondContact O-N 3.33Å; L242-L332 HydrophobicContact CD2-CD2 3.72Å; L242-L332 HydrophobicContact CD2-CG 3.8Å; L242-L336 HydrophobicContact CD2-CD1 3.82Å; L242-G359 CarbonylContact O-C 3.49Å; L242-G359 WeakPolarHBondContact O-CA 3.46Å; L242-G360 PolarHBondContact O-N 2.86Å; L242-Y361 HydrophobicContact CD1-CD1 3.68Å; L242-Y361 HydrophobicContact CD1-CE1 3.28Å; L242-Y361 HydrophobicContact CD2-CE1 4.07Å; L242-Y361 HydrophobicContact CG-CE1 4.3Å
243	T	98.3	Very high	97.9	Very high	35 Å²	35	25.9 Å²	25.9	22%	0.215	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-116.3	154.4	173.5	66.5	0	0	0	0	111	P206 V213 A247 H249 E358	P206-T243 HydrophobicContact CG-CG2 4.23Å; V213-T243 HydrophobicContact CG1-CG2 4.33Å; V213-T243 HydrophobicContact CG2-CG2 4.01Å; T243-A247 WeakPolarHBondContact CB-O 3.44Å; T243-A247 PolarHBondContact OG1-O 3.03Å; T243-H249 HydrophobicContact CG2-CB 4.13Å; T243-E358 CarbonylContact C-O 3.56Å; T243-E358 WeakPolarHBondContact CA-O 3.46Å
244	Y	97.9	Very high	97.8	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.016	17%	0.165	C	C	.	.			trans	-130.5	162.3	-171.2	-55.4	-57	0	0	0	110.8	G246 A247 P333 L336 H337 P357 E358 G360 F423	Y244-G246 PolarHBondContact O-N 3.17Å; Y244-A247 VanDerWaalsContact O-CB 3.25Å; Y244-A247 WeakPolarHBondContact O-CB 3.16Å; Y244-A247 PolarHBondContact O-N 3Å; Y244-P333 HydrophobicContact CE1-CB 4.19Å; Y244-P333 WeakPolarHBondContact CE1-O 3.45Å; Y244-L336 HydrophobicContact CE1-CB 4.06Å; Y244-H337 HydrophobicContact CD1-CB 4.01Å; Y244-H337 HydrophobicContact CE1-CB 4.44Å; Y244-P357 WeakPolarHBondContact CD2-O 3.29Å; Y244-E358 PolarHBondContact N-O 3.36Å; Y244-G360 WeakPolarHBondContact CE2-O 3.4Å; Y244-G360 PolarHBondContact OH-O 3.13Å; Y244-F423 HydrophobicContact CE2-CE2 4.28Å; Y244-F423 AromaticContact CE2-CZ 3.85Å; Y244-F423 HydrophobicContact CE2-CZ 3.85Å; Y244-F423 WeakPolarHBondContact OH-CE2 3.19Å
245	D	94.8	Very high	97.8	Very high	105 Å²	105	29.2 Å²	29.2	56%	0.561	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	25.8	172	-50.8	-41.6	0	0	0	115.4	H337 R340	D245-H337 IonicContact OD1-CD2 2.66Å; D245-H337 IonicContact OD1-CE1 3.34Å; D245-H337 IonicContact OD1-NE2 3.36Å; D245-H337 PolarHBondContact OD1-NE2 3.28Å; D245-R340 IonicContact OD1-NH2 3.62Å; D245-R340 PolarHBondContact OD1-NH2 3.49Å; D245-R340 IonicContact OD2-CZ 3.54Å; D245-R340 IonicContact OD2-NH1 3.1Å; D245-R340 PolarHBondContact OD2-NH1 2.81Å; D245-R340 IonicContact OD2-NH2 2.78Å; D245-R340 PolarHBondContact OD2-NH2 3.33Å
246	G	93.3	Very high	97.7	Very high	69 Å²	69	34.1 Å²	34.1	71%	0.711	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.3	1.7	-178.1	0	0	0	0	0	115.2	Y244	Y244-G246 PolarHBondContact O-N 3.17Å
247	A	96.7	Very high	97.6	Very high	23 Å²	23	35.2 Å²	35.2	19%	0.19	22%	0.215	C	C	.	.			trans	-58.2	141.1	168.9	0	0	0	0	0	110.4	V213 T243 Y244 E358	V213-A247 HydrophobicContact CB-CB 4.33Å; V213-A247 HydrophobicContact CG2-CB 4.27Å; T243-A247 WeakPolarHBondContact CB-O 3.44Å; T243-A247 PolarHBondContact OG1-O 3.03Å; Y244-A247 VanDerWaalsContact O-CB 3.25Å; Y244-A247 WeakPolarHBondContact O-CB 3.16Å; Y244-A247 PolarHBondContact O-N 3Å; A247-E358 HydrophobicContact CB-CB 4.16Å
248	K	95.6	Very high	97.6	Very high	163 Å²	163	35.2 Å²	35.2	71%	0.709	22%	0.215	S	C	*	.			trans	-118.7	127.9	-177.6	-63.8	-176.6	-178.4	178.8	0	109.5
249	H	98.2	Very high	97.6	Very high	37 Å²	37	37 Å²	37	17%	0.171	22%	0.22	C	C	.	.			trans	-68.3	133.6	168.5	-175.7	64.6	0	0	0	109.7	T205 E237 E240 T243	T205-H249 PolarHBondContact O-CE1 2.65Å; E237-H249 IonicContact OE2-CD2 2.7Å; E237-H249 IonicContact OE2-CE1 3.92Å; E237-H249 IonicContact OE2-NE2 2.75Å; E237-H249 PolarHBondContact OE2-NE2 2.82Å; E240-H249 VanDerWaalsContact CB-CD2 3.44Å; E240-H249 WeakPolarHBondContact CB-CD2 3.42Å; E240-H249 WeakPolarHBondContact O-CB 3.04Å; T243-H249 HydrophobicContact CG2-CB 4.13Å
250	V	97.7	Very high	97.5	Very high	32 Å²	32	41.1 Å²	41.1	19%	0.194	24%	0.24	C	C	.	.			trans	-129.1	126.9	176.9	176.6	0	0	0	0	107.1	V216 L219	V216-V250 HydrophobicContact CG2-CG1 4.44Å; V216-V250 HydrophobicContact CG2-CG2 3.94Å; L219-V250 HydrophobicContact CD1-CB 3.76Å; L219-V250 HydrophobicContact CD1-CG1 3.86Å; L219-V250 VanDerWaalsContact CD1-O 3.27Å; L219-V250 WeakPolarHBondContact CD1-O 3.41Å
251	K	98.4	Very high	97.5	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.026	24%	0.243	C	C	.	.			trans	-81.7	123	179.1	-53.5	-161	162.2	-83	0	108.4	V108 V109 E237 E240 A253 S254	V108-K251 HydrophobicContact CG1-CD 3.92Å; V108-K251 HydrophobicContact CG1-CG 4.36Å; V109-K251 HydrophobicContact CG2-CD 3.86Å; E237-K251 VanDerWaalsContact OE2-CG 3.24Å; E237-K251 WeakPolarHBondContact OE2-CG 3.48Å; E237-K251 IonicContact OE2-NZ 2.89Å; E237-K251 PolarHBondContact OE2-NZ 3.37Å; E240-K251 IonicContact OE1-NZ 2.65Å; E240-K251 WeakPolarHBondContact OE2-CE 3.29Å; E240-K251 IonicContact OE2-NZ 3.3Å; E240-K251 PolarHBondContact OE2-NZ 3.34Å; K251-A253 PolarHBondContact O-N 3.35Å; K251-A253 VanDerWaalsContact O-N 3.15Å; K251-S254 PolarHBondContact O-N 2.69Å; K251-S254 PolarHBondContact O-OG 2.93Å
252	I	98.7	Very high	97.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-60.9	-28.5	178.3	-162.6	170.9	0	0	0	111.6	I203 L219 I222 A223 S254 L255 M258 T262	I203-I252 HydrophobicContact CD1-CB 4.35Å; I203-I252 HydrophobicContact CD1-CD1 3.98Å; I203-I252 HydrophobicContact CD1-CG2 4.11Å; L219-I252 HydrophobicContact CB-CG1 4.38Å; L219-I252 HydrophobicContact CD2-CB 4.33Å; L219-I252 HydrophobicContact CD2-CD1 4.35Å; I222-I252 HydrophobicContact CB-CD1 3.92Å; I222-I252 HydrophobicContact CG2-CD1 3.58Å; A223-I252 HydrophobicContact CB-CD1 4.45Å; A223-I252 HydrophobicContact CB-CG1 4.45Å; I252-S254 PolarHBondContact O-N 3.31Å; I252-L255 HydrophobicContact CG1-CD1 4.16Å; I252-L255 WeakPolarHBondContact O-CB 3.49Å; I252-L255 PolarHBondContact O-N 3.11Å; I252-M258 HydrophobicContact CD1-CE 3.86Å; I252-M258 HydrophobicContact CG1-CE 3.94Å; I252-M258 HydrophobicContact CG1-CG 4.39Å; I252-M258 WeakPolarHBondContact O-CB 3.43Å; I252-T262 HydrophobicContact CG2-CG2 3.64Å
253	A	98.3	Very high	97.5	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-62	-16.1	172.8	0	0	0	0	0	115.2	K251 W259 T262	K251-A253 PolarHBondContact O-N 3.35Å; K251-A253 VanDerWaalsContact O-N 3.15Å; A253-W259 HydrophobicContact CB-CE3 4.43Å; A253-T262 HydrophobicContact CB-CG2 3.86Å
254	S	97.8	Very high	97.6	Very high	51 Å²	51	39.2 Å²	39.2	36%	0.357	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-89.9	-3.3	173.5	75.2	0	0	0	0	113.4	K251 I252	K251-S254 PolarHBondContact O-N 2.69Å; K251-S254 PolarHBondContact O-OG 2.93Å; I252-S254 PolarHBondContact O-N 3.31Å
255	L	98.2	Very high	97.6	Very high	21 Å²	21	39 Å²	39	11%	0.11	23%	0.228	C	C	.	.	S	Bend	trans	-79.6	149.3	174.4	-57.8	-173.1	0	0	0	110.6	L219 A223 I252 G257 M258	L219-L255 HydrophobicContact CB-CD1 3.89Å; A223-L255 HydrophobicContact CB-CD1 4.08Å; I252-L255 HydrophobicContact CG1-CD1 4.16Å; I252-L255 WeakPolarHBondContact O-CB 3.49Å; I252-L255 PolarHBondContact O-N 3.11Å; L255-G257 PolarHBondContact O-N 3.15Å; L255-M258 HydrophobicContact CB-CB 4.47Å; L255-M258 HydrophobicContact CB-CG 4.06Å; L255-M258 WeakPolarHBondContact O-CB 3.41Å; L255-M258 PolarHBondContact O-N 3.25Å
256	P	97.3	Very high	97.8	Very high	103 Å²	103	34 Å²	34	67%	0.669	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	129.6	-179.9	-25.8	35.2	0	0	0	112.6	I227 M258	I227-P256 WeakPolarHBondContact CD1-O 3.39Å; P256-M258 VanDerWaalsContact C-N 3.31Å; P256-M258 PolarHBondContact O-N 3.22Å
257	G	97.2	Very high	98.1	Very high	29 Å²	29	31.5 Å²	31.5	30%	0.299	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	7.4	178.4	0	0	0	0	0	116	L255 E260 R261	L255-G257 PolarHBondContact O-N 3.15Å; G257-E260 VanDerWaalsContact O-CD 3.29Å; G257-R261 WeakPolarHBondContact O-CD 3.38Å; G257-R261 PolarHBondContact O-NE 2.96Å
258	M	98.6	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.			trans	-99.3	-23.5	-178.7	-68.5	-55.6	-70.2	0	0	114.9	A223 C226 I227 C233 I252 L255 P256 E260 R261 T262	A223-M258 VanDerWaalsContact CA-SD 3.53Å; A223-M258 HydrophobicContact CB-CE 4.17Å; A223-M258 HydrophobicContact CB-CG 3.56Å; A223-M258 HydrophobicContact CB-SD 3.53Å; A223-M258 VanDerWaalsContact CB-SD 3.53Å; C226-M258 HydrophobicContact CB-CE 3.85Å; C226-M258 HydrophobicContact CB-SD 4.1Å; I227-M258 HydrophobicContact CD1-SD 4.13Å; I227-M258 HydrophobicContact CG1-SD 4.02Å; C233-M258 HydrophobicContact CB-CE 3.86Å; I252-M258 HydrophobicContact CD1-CE 3.86Å; I252-M258 HydrophobicContact CG1-CE 3.94Å; I252-M258 HydrophobicContact CG1-CG 4.39Å; I252-M258 WeakPolarHBondContact O-CB 3.43Å; L255-M258 HydrophobicContact CB-CB 4.47Å; L255-M258 HydrophobicContact CB-CG 4.06Å; L255-M258 WeakPolarHBondContact O-CB 3.41Å; L255-M258 PolarHBondContact O-N 3.25Å; P256-M258 VanDerWaalsContact C-N 3.31Å; P256-M258 PolarHBondContact O-N 3.22Å; M258-E260 PolarHBondContact O-N 3.49Å; M258-R261 HydrophobicContact CE-CG 4.24Å; M258-R261 WeakPolarHBondContact O-CG 3.4Å; M258-R261 PolarHBondContact O-N 3.42Å; M258-R261 HydrophobicContact SD-CG 4.07Å; M258-T262 WeakPolarHBondContact O-CB 3.46Å; M258-T262 PolarHBondContact O-N 3.37Å; M258-T262 PolarHBondContact O-OG1 3.25Å
259	W	98.2	Very high	98.3	Very high	47 Å²	47	22.8 Å²	22.8	18%	0.178	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-58.9	-44	-177.5	171	-117.7	0	0	0	113.1	H111 I113 D118 A253 R261 I283 S284	H111-W259 AromaticContact CE1-CD2 3.43Å; H111-W259 VanDerWaalsContact CE1-CD2 3.43Å; H111-W259 AromaticContact CE1-CE2 3.96Å; H111-W259 AromaticContact CE1-CE3 3.48Å; H111-W259 VanDerWaalsContact CE1-CE3 3.48Å; H111-W259 AromaticContact CE1-CG 3.73Å; H111-W259 AromaticContact NE2-CD2 3.21Å; H111-W259 AromaticContact NE2-CE2 3.24Å; H111-W259 AromaticContact NE2-CE3 3.45Å; H111-W259 AromaticContact NE2-CG 3.76Å; H111-W259 AromaticContact NE2-CH2 3.73Å; H111-W259 AromaticContact NE2-CZ2 3.52Å; H111-W259 AromaticContact NE2-CZ3 3.7Å; H111-W259 AromaticContact NE2-NE1 3.75Å; I113-W259 HydrophobicContact CD1-CH2 4.36Å; I113-W259 HydrophobicContact CG1-CH2 4.07Å; I113-W259 HydrophobicContact CG2-CH2 4.39Å; D118-W259 HydrophobicContact CB-CH2 4.22Å; D118-W259 HydrophobicContact CB-CZ2 4.06Å; A253-W259 HydrophobicContact CB-CE3 4.43Å; W259-R261 PolarHBondContact O-N 2.98Å; W259-I283 HydrophobicContact CH2-CG2 3.84Å; W259-I283 HydrophobicContact CZ3-CG2 3.96Å; W259-S284 VanDerWaalsContact CH2-C 3.47Å
260	E	97.1	Very high	98.3	Very high	95 Å²	95	22.3 Å²	22.3	44%	0.444	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-66.4	-17.2	-178.6	60.6	-94.9	-134.8	0	0	114.2	G257 M258	G257-E260 VanDerWaalsContact O-CD 3.29Å; M258-E260 PolarHBondContact O-N 3.49Å
261	R	98.5	Very high	98.4	Very high	29 Å²	29	20.9 Å²	20.9	11%	0.109	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-124.2	-1.1	-173	63.1	-179	65.8	-102.6	-1.4	114.6	C226 D230 L231 L232 C233 G257 M258 W259	C226-R261 PolarHBondContact O-NH1 3.34Å; D230-R261 IonicContact OD1-CZ 2.66Å; D230-R261 VanDerWaalsContact OD1-CZ 3.3Å; D230-R261 IonicContact OD1-NH1 2.81Å; D230-R261 PolarHBondContact OD1-NH1 3.19Å; D230-R261 IonicContact OD1-NH2 2.67Å; D230-R261 PolarHBondContact OD1-NH2 2.84Å; L231-R261 PolarHBondContact O-NH1 3.43Å; L232-R261 CarbonylContact C-O 3.55Å; L232-R261 WeakPolarHBondContact CA-O 3.49Å; L232-R261 HydrophobicContact CD2-CB 4.38Å; C233-R261 PolarHBondContact N-O 2.88Å; G257-R261 WeakPolarHBondContact O-CD 3.38Å; G257-R261 PolarHBondContact O-NE 2.96Å; M258-R261 HydrophobicContact CE-CG 4.24Å; M258-R261 WeakPolarHBondContact O-CG 3.4Å; M258-R261 PolarHBondContact O-N 3.42Å; M258-R261 HydrophobicContact SD-CG 4.07Å; W259-R261 PolarHBondContact O-N 2.98Å
262	T	98.9	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.9	-176.6	-55.4	0	0	0	0	112	C233 I252 A253 M258 S284	C233-T262 HydrophobicContact CB-CG2 4.28Å; C233-T262 CarbonylContact O-C 3.27Å; C233-T262 VanDerWaalsContact O-CA 3.25Å; C233-T262 WeakPolarHBondContact O-CA 3.2Å; I252-T262 HydrophobicContact CG2-CG2 3.64Å; A253-T262 HydrophobicContact CB-CG2 3.86Å; M258-T262 WeakPolarHBondContact O-CB 3.46Å; M258-T262 PolarHBondContact O-N 3.37Å; M258-T262 PolarHBondContact O-OG1 3.25Å; T262-S284 WeakPolarHBondContact O-CB 3.34Å; T262-S284 PolarHBondContact O-OG 3.42Å
263	I	98.9	Very high	98.4	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113.3	163.4	-66.5	165.2	0	0	0	108.5	A132 L136 C233 F234 S235 V265 A282 L288 M292	A132-I263 HydrophobicContact CB-CD1 3.91Å; L136-I263 HydrophobicContact CD1-CD1 3.32Å; C233-I263 PolarHBondContact O-N 3.09Å; F234-I263 HydrophobicContact CD1-CB 4.29Å; F234-I263 HydrophobicContact CD1-CD1 4.08Å; F234-I263 HydrophobicContact CE1-CD1 3.91Å; S235-I263 PolarHBondContact N-O 3.38Å; I263-V265 HydrophobicContact CG2-CG2 4.03Å; I263-A282 HydrophobicContact CG2-CB 4.04Å; I263-L288 HydrophobicContact CG1-CD1 4.27Å; I263-M292 HydrophobicContact CD1-CG 4.49Å; I263-M292 HydrophobicContact CD1-SD 3.57Å; I263-M292 VanDerWaalsContact CD1-SD 3.57Å; I263-M292 HydrophobicContact CG1-SD 4.11Å; I263-M292 HydrophobicContact CG2-CE 4.22Å; I263-M292 HydrophobicContact CG2-SD 4.07Å
264	T	98.9	Very high	98.4	Very high	6 Å²	6	21 Å²	21	4%	0.037	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.3	173.1	-64.2	0	0	0	0	109.6	E237 A282 I283	E237-T264 HydrophobicContact CB-CG2 4.41Å; E237-T264 HydrophobicContact CG-CG2 4.28Å; T264-A282 WeakPolarHBondContact O-CA 3.47Å; T264-I283 PolarHBondContact N-O 2.81Å; T264-I283 PolarHBondContact O-N 2.67Å
265	V	98.9	Very high	98.4	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134	-179.1	176.9	0	0	0	0	110.9	A125 A128 L129 S235 E237 I263 W281	A125-V265 HydrophobicContact CB-CG1 3.47Å; A125-V265 VanDerWaalsContact CB-CG1 3.47Å; A128-V265 HydrophobicContact CB-CG1 3.73Å; A128-V265 HydrophobicContact CB-CG2 4.08Å; L129-V265 HydrophobicContact CD2-CG2 4.28Å; L129-V265 HydrophobicContact CG-CG1 4.42Å; S235-V265 PolarHBondContact O-N 3.17Å; E237-V265 CarbonylContact C-O 3.52Å; E237-V265 PolarHBondContact N-O 2.88Å; I263-V265 HydrophobicContact CG2-CG2 4.03Å; V265-W281 WeakPolarHBondContact CA-O 3.44Å
266	G	98.9	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	170	175.9	0	0	0	0	0	114.1	G280 W281	G266-G280 VanDerWaalsContact O-CA 3.25Å; G266-G280 WeakPolarHBondContact O-CA 3.49Å; G266-W281 PolarHBondContact N-O 2.85Å; G266-W281 PolarHBondContact O-N 2.72Å; G266-W281 VanDerWaalsContact O-N 3.1Å
267	S	98.9	Very high	98.4	Very high	15 Å²	15	20.6 Å²	20.6	11%	0.105	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	113.5	-171.2	-180	0	0	0	0	112.6	G269 K270 T271	S267-G269 PolarHBondContact O-N 2.7Å; S267-G269 VanDerWaalsContact O-N 3.11Å; S267-K270 PolarHBondContact O-N 3.29Å; S267-T271 PolarHBondContact O-N 2.81Å; S267-T271 PolarHBondContact O-OG1 2.96Å
268	A	98.8	Very high	98.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-55.7	-32.8	174.7	0	0	0	0	0	112.2	K270 T271 F272 V279 W281 V311	A268-K270 PolarHBondContact O-N 3.09Å; A268-T271 PolarHBondContact O-N 2.99Å; A268-F272 HydrophobicContact CB-CD2 4.34Å; A268-F272 PolarHBondContact O-N 3.5Å; A268-V279 HydrophobicContact CB-CB 4.02Å; A268-V279 HydrophobicContact CB-CG1 4.32Å; A268-V279 WeakPolarHBondContact CB-O 3.35Å; A268-V279 PolarHBondContact N-O 3.24Å; A268-W281 HydrophobicContact CB-CZ3 4.01Å; A268-W281 VanDerWaalsContact N-CZ3 3.3Å; A268-V311 HydrophobicContact CB-CB 4.31Å; A268-V311 HydrophobicContact CB-CG1 3.71Å; A268-V311 HydrophobicContact CB-CG2 3.51Å
269	G	98.4	Very high	98.5	Very high	2 Å²	2	24 Å²	24	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-67.4	-17.5	179	0	0	0	0	0	114.6	S267 A274 T275	S267-G269 PolarHBondContact O-N 2.7Å; S267-G269 VanDerWaalsContact O-N 3.11Å; G269-A274 WeakPolarHBondContact CA-O 3.4Å; G269-A274 PolarHBondContact O-N 3.12Å; G269-T275 VanDerWaalsContact O-CG2 3.25Å; G269-T275 WeakPolarHBondContact O-CG2 3.44Å; G269-T275 PolarHBondContact O-N 3.45Å
270	K	98.4	Very high	98.5	Very high	28 Å²	28	21.7 Å²	21.7	12%	0.122	12%	0.122	C	C	.	.	H	α-helix	trans	-100.7	-38.9	172.2	-60.5	-55.4	-174.2	165.3	0	111.6	G61 V238 Y239 S267 A268 F272 T275 Y361	G61-K270 PolarHBondContact O-NZ 3.13Å; V238-K270 HydrophobicContact CB-CB 4.4Å; V238-K270 HydrophobicContact CB-CG 4.07Å; V238-K270 HydrophobicContact CG2-CG 4.26Å; V238-K270 WeakPolarHBondContact O-CB 3.33Å; Y239-K270 HydrophobicContact CE1-CD 3.73Å; Y239-K270 HydrophobicContact CE1-CG 4.15Å; Y239-K270 VanDerWaalsContact OH-CE 3.25Å; Y239-K270 WeakPolarHBondContact OH-CE 3.34Å; Y239-K270 PolarHBondContact OH-NZ 2.99Å; S267-K270 PolarHBondContact O-N 3.29Å; A268-K270 PolarHBondContact O-N 3.09Å; K270-F272 PolarHBondContact O-N 3.32Å; K270-T275 HydrophobicContact CD-CG2 4.37Å; K270-Y361 HydrophobicContact CD-CE2 3.92Å; K270-Y361 PolarHBondContact O-OH 3.01Å
271	T	98.6	Very high	98.6	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.012	10%	0.101	C	C	.	.	H	α-helix	trans	-59.2	-41.4	174.3	-54.4	0	0	0	0	113.4	S267 A268 F315 F329	S267-T271 PolarHBondContact O-N 2.81Å; S267-T271 PolarHBondContact O-OG1 2.96Å; A268-T271 PolarHBondContact O-N 2.99Å; T271-F315 HydrophobicContact CG2-CE1 4.47Å; T271-F315 HydrophobicContact CG2-CZ 4.04Å; T271-F329 HydrophobicContact CG2-CD1 4.4Å; T271-F329 HydrophobicContact CG2-CE1 3.31Å; T271-F329 HydrophobicContact CG2-CZ 3.46Å; T271-F329 VanDerWaalsContact CG2-CZ 3.46Å
272	F	98.8	Very high	98.6	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	21.3	-173.1	-60	-64.7	0	0	0	113.5	P68 F70 V71 A268 K270 A274 V311 F315 E318 Y328 F329	P68-F272 VanDerWaalsContact CD-O 3.3Å; P68-F272 WeakPolarHBondContact CD-O 3.49Å; F70-F272 HydrophobicContact CE2-CE1 4.24Å; F70-F272 HydrophobicContact CZ-CD1 4.38Å; F70-F272 HydrophobicContact CZ-CE1 4.3Å; V71-F272 HydrophobicContact CG1-CB 4.16Å; V71-F272 HydrophobicContact CG1-CG 4.47Å; V71-F272 HydrophobicContact CG2-CB 4.16Å; V71-F272 HydrophobicContact CG2-CD1 3.69Å; V71-F272 HydrophobicContact CG2-CE1 4.26Å; V71-F272 HydrophobicContact CG2-CG 3.97Å; A268-F272 HydrophobicContact CB-CD2 4.34Å; A268-F272 PolarHBondContact O-N 3.5Å; K270-F272 PolarHBondContact O-N 3.32Å; F272-A274 PolarHBondContact O-N 2.84Å; F272-V311 HydrophobicContact CE2-CG1 4.23Å; F272-F315 AromaticContact CE2-CD2 3.94Å; F272-F315 HydrophobicContact CE2-CD2 3.94Å; F272-F315 AromaticContact CE2-CE2 3.83Å; F272-F315 HydrophobicContact CE2-CE2 3.83Å; F272-F315 HydrophobicContact CE2-CZ 4.35Å; F272-F315 HydrophobicContact CZ-CD2 4.21Å; F272-F315 HydrophobicContact CZ-CE2 4.34Å; F272-F315 HydrophobicContact CZ-CG 4.36Å; F272-E318 HydrophobicContact CE1-CG 3.94Å; F272-E318 HydrophobicContact CZ-CG 4.46Å; F272-Y328 HydrophobicContact CD1-CD1 4.3Å; F272-F329 HydrophobicContact CD1-CE1 4.37Å; F272-F329 AromaticContact CE1-CE1 3.76Å; F272-F329 HydrophobicContact CE1-CE1 3.76Å; F272-F329 HydrophobicContact CE1-CZ 4.08Å; F272-F329 HydrophobicContact CZ-CE1 4.15Å; F272-F329 HydrophobicContact CZ-CZ 4.04Å
273	S	98.4	Very high	98.6	Very high	5 Å²	5	16.1 Å²	16.1	4%	0.035	10%	0.098	C	C	.	.	S	Bend	trans	58	16.9	178	-62.9	0	0	0	0	115.4	Y328	S273-Y328 WeakPolarHBondContact CB-OH 3.31Å; S273-Y328 PolarHBondContact OG-OH 3.35Å
274	A	98.3	Very high	98.6	Very high	5 Å²	5	16 Å²	16	4%	0.041	10%	0.097	C	C	.	.			trans	-109.1	57.1	-173	0	0	0	0	0	112.3	P67 G269 F272 G276 W277	P67-A274 HydrophobicContact CB-CB 4.19Å; P67-A274 HydrophobicContact CG-CB 3.8Å; G269-A274 WeakPolarHBondContact CA-O 3.4Å; G269-A274 PolarHBondContact O-N 3.12Å; F272-A274 PolarHBondContact O-N 2.84Å; A274-G276 PolarHBondContact O-N 2.74Å; A274-G276 VanDerWaalsContact O-N 3.11Å; A274-W277 HydrophobicContact CB-CB 4.46Å; A274-W277 HydrophobicContact CB-CD2 3.69Å; A274-W277 HydrophobicContact CB-CE3 4.2Å; A274-W277 HydrophobicContact CB-CG 3.79Å; A274-W277 WeakPolarHBondContact O-CB 3.5Å; A274-W277 PolarHBondContact O-N 2.92Å
275	T	97.6	Very high	98.6	Very high	45 Å²	45	16.3 Å²	16.3	28%	0.276	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-55.7	-33.5	-169.7	53.8	0	0	0	0	114.5	F62 G269 K270 W277	F62-T275 HydrophobicContact CB-CG2 3.75Å; F62-T275 WeakPolarHBondContact CB-OG1 3.21Å; G269-T275 VanDerWaalsContact O-CG2 3.25Å; G269-T275 WeakPolarHBondContact O-CG2 3.44Å; G269-T275 PolarHBondContact O-N 3.45Å; K270-T275 HydrophobicContact CD-CG2 4.37Å; T275-W277 PolarHBondContact O-N 2.81Å
276	G	98.1	Very high	98.5	Very high	69 Å²	69	17 Å²	17	71%	0.711	11%	0.107	S	C	*	.	G	3₁₀ helix	trans	-67.4	-16.9	178	0	0	0	0	0	115.1	A274 K278	A274-G276 PolarHBondContact O-N 2.74Å; A274-G276 VanDerWaalsContact O-N 3.11Å; G276-K278 VanDerWaalsContact C-N 3.29Å; G276-K278 PolarHBondContact O-N 2.76Å
277	W	98.3	Very high	98.5	Very high	52 Å²	52	24.4 Å²	24.4	20%	0.197	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-73.1	-21.3	-178.1	-71	14.8	0	0	0	113.8	V71 F75 A274 T275 V279 A310 V311	V71-W277 HydrophobicContact CB-CH2 4.42Å; V71-W277 HydrophobicContact CG1-CE3 4.44Å; V71-W277 HydrophobicContact CG1-CH2 3.2Å; V71-W277 HydrophobicContact CG1-CZ2 4.09Å; V71-W277 HydrophobicContact CG1-CZ3 3.41Å; V71-W277 VanDerWaalsContact CG1-CZ3 3.41Å; V71-W277 WeakPolarHBondContact O-CH2 3.42Å; F75-W277 HydrophobicContact CB-CH2 3.5Å; F75-W277 HydrophobicContact CB-CZ2 3.59Å; F75-W277 HydrophobicContact CB-CZ3 4.44Å; F75-W277 HydrophobicContact CD1-CH2 4.41Å; F75-W277 AromaticContact CD1-CZ2 3.74Å; F75-W277 HydrophobicContact CD1-CZ2 3.74Å; F75-W277 AromaticContact CG-CH2 3.94Å; F75-W277 HydrophobicContact CG-CH2 3.94Å; F75-W277 AromaticContact CG-CZ2 3.74Å; F75-W277 HydrophobicContact CG-CZ2 3.74Å; A274-W277 HydrophobicContact CB-CB 4.46Å; A274-W277 HydrophobicContact CB-CD2 3.69Å; A274-W277 HydrophobicContact CB-CE3 4.2Å; A274-W277 HydrophobicContact CB-CG 3.79Å; A274-W277 WeakPolarHBondContact O-CB 3.5Å; A274-W277 PolarHBondContact O-N 2.92Å; T275-W277 PolarHBondContact O-N 2.81Å; W277-V279 PolarHBondContact O-N 2.95Å; W277-V279 VanDerWaalsContact O-N 3.11Å; W277-A310 HydrophobicContact CH2-CB 3.81Å; W277-A310 HydrophobicContact CZ3-CB 3.66Å; W277-V311 HydrophobicContact CE3-CG2 3.85Å; W277-V311 HydrophobicContact CZ3-CG2 3.97Å
278	K	98.6	Very high	98.5	Very high	95 Å²	95	24.7 Å²	24.7	41%	0.413	14%	0.139	S	C	.	.			trans	47.7	43.2	175.5	-64.1	-68.7	-59.3	-167	0	113.7	V123 G124 G276	V123-K278 CarbonylContact C-O 3.41Å; V123-K278 VanDerWaalsContact CA-O 3.22Å; V123-K278 WeakPolarHBondContact CA-O 3.21Å; V123-K278 HydrophobicContact CG1-CB 4.1Å; G124-K278 PolarHBondContact N-O 3.41Å; G276-K278 VanDerWaalsContact C-N 3.29Å; G276-K278 PolarHBondContact O-N 2.76Å
279	V	98.9	Very high	98.5	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.024	14%	0.139	C	C	.	.			trans	-102.6	132.9	166.3	178.6	0	0	0	0	109	L97 V121 A268 W277 A307 Q308 V311	L97-V279 HydrophobicContact CD2-CG1 3.94Å; V121-V279 HydrophobicContact CG1-CG1 4.19Å; A268-V279 HydrophobicContact CB-CB 4.02Å; A268-V279 HydrophobicContact CB-CG1 4.32Å; A268-V279 WeakPolarHBondContact CB-O 3.35Å; A268-V279 PolarHBondContact N-O 3.24Å; W277-V279 PolarHBondContact O-N 2.95Å; W277-V279 VanDerWaalsContact O-N 3.11Å; V279-A307 HydrophobicContact CG2-CB 3.73Å; V279-Q308 HydrophobicContact CG1-CG 4.36Å; V279-Q308 HydrophobicContact CG2-CG 4.44Å; V279-V311 HydrophobicContact CB-CG2 4.19Å; V279-V311 HydrophobicContact CG1-CB 4.47Å; V279-V311 HydrophobicContact CG1-CG1 4.39Å; V279-V311 HydrophobicContact CG1-CG2 4.2Å; V279-V311 HydrophobicContact CG2-CG2 4.43Å
280	G	98.9	Very high	98.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-176.4	174.7	0	0	0	0	0	110.6	V121 T122 G266	V121-G280 WeakPolarHBondContact CG1-O 3.34Å; T122-G280 PolarHBondContact N-O 3.15Å; T122-G280 PolarHBondContact O-N 3.11Å; T122-G280 VanDerWaalsContact OG1-C 3.32Å; T122-G280 PolarHBondContact OG1-O 2.71Å; G266-G280 VanDerWaalsContact O-CA 3.25Å; G266-G280 WeakPolarHBondContact O-CA 3.49Å
281	W	98.9	Very high	98.5	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	155.6	-178.4	51.2	87.9	0	0	0	111.9	L101 F105 L120 V265 G266 A268 I283 F315	L101-W281 HydrophobicContact CD1-CB 3.97Å; L101-W281 HydrophobicContact CD1-CD2 4.16Å; L101-W281 HydrophobicContact CD1-CE3 4.21Å; L101-W281 HydrophobicContact CD1-CG 4.05Å; L101-W281 HydrophobicContact CD2-CD2 3.68Å; L101-W281 HydrophobicContact CD2-CE3 3.81Å; L101-W281 HydrophobicContact CD2-CG 4.17Å; L101-W281 HydrophobicContact CD2-CH2 4.44Å; L101-W281 HydrophobicContact CD2-CZ2 4.29Å; L101-W281 HydrophobicContact CD2-CZ3 4.19Å; F105-W281 AromaticContact CE2-CE2 3.96Å; F105-W281 HydrophobicContact CE2-CZ2 4.19Å; F105-W281 AromaticContact CE2-NE1 3.58Å; F105-W281 HydrophobicContact CZ-CZ2 4.14Å; F105-W281 AromaticContact CZ-NE1 3.86Å; L120-W281 CarbonylContact O-C 3.57Å; L120-W281 VanDerWaalsContact O-CA 3.23Å; L120-W281 WeakPolarHBondContact O-CA 3.38Å; V265-W281 WeakPolarHBondContact CA-O 3.44Å; G266-W281 PolarHBondContact N-O 2.85Å; G266-W281 PolarHBondContact O-N 2.72Å; G266-W281 VanDerWaalsContact O-N 3.1Å; A268-W281 HydrophobicContact CB-CZ3 4.01Å; A268-W281 VanDerWaalsContact N-CZ3 3.3Å; W281-I283 HydrophobicContact CG-CD1 4.5Å; W281-F315 AromaticContact CH2-CE2 3.55Å; W281-F315 HydrophobicContact CH2-CE2 3.55Å; W281-F315 AromaticContact CH2-CZ 3.43Å; W281-F315 HydrophobicContact CH2-CZ 3.43Å; W281-F315 VanDerWaalsContact CH2-CZ 3.43Å; W281-F315 HydrophobicContact CZ2-CE2 4.18Å; W281-F315 AromaticContact CZ2-CZ 3.68Å; W281-F315 HydrophobicContact CZ2-CZ 3.68Å; W281-F315 AromaticContact CZ3-CE2 3.77Å; W281-F315 HydrophobicContact CZ3-CE2 3.77Å; W281-F315 HydrophobicContact CZ3-CZ 4.12Å
282	A	98.9	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.4	159.4	0	0	0	0	0	108.8	L120 A128 I263 T264 I289 M292	L120-A282 PolarHBondContact N-O 2.9Å; L120-A282 PolarHBondContact O-N 2.66Å; A128-A282 HydrophobicContact CB-CB 4.16Å; I263-A282 HydrophobicContact CG2-CB 4.04Å; T264-A282 WeakPolarHBondContact O-CA 3.47Å; A282-I289 HydrophobicContact CB-CD1 4.16Å; A282-M292 HydrophobicContact CB-CE 3.35Å; A282-M292 HydrophobicContact CB-SD 3.96Å
283	I	98.9	Very high	98.5	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.3	175.4	-62.4	172.4	0	0	0	108	F105 I113 D118 V119 W259 T264 W281	F105-I283 HydrophobicContact CB-CD1 4.08Å; F105-I283 HydrophobicContact CD2-CD1 3.27Å; F105-I283 HydrophobicContact CE2-CD1 3.88Å; F105-I283 HydrophobicContact CG-CD1 3.78Å; I113-I283 HydrophobicContact CD1-CG2 3.96Å; I113-I283 HydrophobicContact CG2-CG2 4.15Å; D118-I283 WeakPolarHBondContact O-CA 3.49Å; V119-I283 HydrophobicContact CG1-CG1 4.34Å; V119-I283 HydrophobicContact CG2-CG1 4.31Å; W259-I283 HydrophobicContact CH2-CG2 3.84Å; W259-I283 HydrophobicContact CZ3-CG2 3.96Å; T264-I283 PolarHBondContact N-O 2.81Å; T264-I283 PolarHBondContact O-N 2.67Å; W281-I283 HydrophobicContact CG-CD1 4.5Å
284	S	98.6	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.			trans	-169.3	171.5	-177.4	-171.3	0	0	0	0	108.8	D118 W259 T262 G286 I289	D118-S284 CarbonylContact C-O 3.54Å; D118-S284 VanDerWaalsContact CA-O 3.22Å; D118-S284 WeakPolarHBondContact CA-O 3.35Å; D118-S284 WeakPolarHBondContact CB-O 3.06Å; D118-S284 PolarHBondContact O-N 3.44Å; D118-S284 VanDerWaalsContact O-O 3.11Å; W259-S284 VanDerWaalsContact CH2-C 3.47Å; T262-S284 WeakPolarHBondContact O-CB 3.34Å; T262-S284 PolarHBondContact O-OG 3.42Å; S284-G286 PolarHBondContact O-N 3.09Å; S284-I289 WeakPolarHBondContact O-CG1 3.28Å
285	S	97.9	Very high	98.6	Very high	11 Å²	11	37.7 Å²	37.7	8%	0.077	20%	0.199	C	C	.	.			trans	-54.4	141.7	169.6	76.6	0	0	0	0	112.1	K287 L288 I289	S285-K287 PolarHBondContact O-N 3.07Å; S285-L288 PolarHBondContact O-N 3.32Å; S285-I289 PolarHBondContact O-N 2.81Å; S285-I289 VanDerWaalsContact O-N 3.1Å
286	G	98.2	Very high	98.6	Very high	17 Å²	17	35.6 Å²	35.6	18%	0.175	19%	0.186	C	C	.	.	H	α-helix	trans	-54.7	-22.6	178.5	0	0	0	0	0	113.8	D118 S284 L288 K290	D118-G286 WeakPolarHBondContact OD1-CA 3.49Å; D118-G286 PolarHBondContact OD1-N 2.76Å; S284-G286 PolarHBondContact O-N 3.09Å; G286-L288 VanDerWaalsContact C-N 3.31Å; G286-L288 PolarHBondContact O-N 2.81Å; G286-K290 WeakPolarHBondContact O-CB 3.44Å; G286-K290 WeakPolarHBondContact O-CG 3.19Å; G286-K290 PolarHBondContact O-N 2.95Å
287	K	97.9	Very high	98.7	Very high	155 Å²	155	35.8 Å²	35.8	67%	0.674	17%	0.169	S	C	*	.	H	α-helix	trans	-60	-35.9	171.5	-68.7	-178.9	-178.4	173.7	0	113	S285 K290 H291	S285-K287 PolarHBondContact O-N 3.07Å; K287-K290 WeakPolarHBondContact O-CE 3.25Å; K287-K290 WeakPolarHBondContact O-CG 3.22Å; K287-H291 PolarHBondContact O-CD2 3.35Å; K287-H291 VanDerWaalsContact O-CD2 3.27Å
288	L	98.7	Very high	98.7	Very high	20 Å²	20	39.4 Å²	39.4	11%	0.105	19%	0.192	C	C	.	.	H	α-helix	trans	-91.3	-44.1	175.8	-61.5	-175.9	0	0	0	111.1	L136 L232 I263 S285 G286 K290 H291 M292	L136-L288 HydrophobicContact CD2-CD2 4.11Å; L232-L288 HydrophobicContact CD2-CD1 3.93Å; L232-L288 HydrophobicContact CD2-CD2 4.09Å; I263-L288 HydrophobicContact CG1-CD1 4.27Å; S285-L288 PolarHBondContact O-N 3.32Å; G286-L288 VanDerWaalsContact C-N 3.31Å; G286-L288 PolarHBondContact O-N 2.81Å; L288-K290 VanDerWaalsContact C-N 3.25Å; L288-K290 PolarHBondContact O-N 2.94Å; L288-H291 PolarHBondContact O-N 3.06Å; L288-M292 PolarHBondContact O-N 2.91Å
289	I	98.8	Very high	98.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-34.2	-178.5	-62.7	-66.1	0	0	0	112.4	E117 L120 A282 S284 S285 H291 M292 K293	E117-I289 WeakPolarHBondContact O-CB 3.43Å; E117-I289 WeakPolarHBondContact O-CG2 3.3Å; L120-I289 HydrophobicContact CB-CG2 4.05Å; A282-I289 HydrophobicContact CB-CD1 4.16Å; S284-I289 WeakPolarHBondContact O-CG1 3.28Å; S285-I289 PolarHBondContact O-N 2.81Å; S285-I289 VanDerWaalsContact O-N 3.1Å; I289-H291 PolarHBondContact O-N 2.94Å; I289-M292 HydrophobicContact CD1-SD 3.99Å; I289-M292 PolarHBondContact O-N 2.89Å; I289-M292 VanDerWaalsContact O-N 3.16Å; I289-K293 HydrophobicContact CG2-CD 3.9Å; I289-K293 HydrophobicContact CG2-CG 4.04Å; I289-K293 WeakPolarHBondContact O-CB 3.5Å; I289-K293 WeakPolarHBondContact O-CG 3.3Å; I289-K293 PolarHBondContact O-N 3.37Å
290	K	98.8	Very high	98.6	Very high	106 Å²	106	40.7 Å²	40.7	46%	0.461	21%	0.21	S	C	.	.	H	α-helix	trans	-56.3	-33.8	175.2	75.7	-171.8	-172.1	-177.8	0	113.4	G286 K287 L288 I294	G286-K290 WeakPolarHBondContact O-CB 3.44Å; G286-K290 WeakPolarHBondContact O-CG 3.19Å; G286-K290 PolarHBondContact O-N 2.95Å; K287-K290 WeakPolarHBondContact O-CE 3.25Å; K287-K290 WeakPolarHBondContact O-CG 3.22Å; L288-K290 VanDerWaalsContact C-N 3.25Å; L288-K290 PolarHBondContact O-N 2.94Å; K290-I294 WeakPolarHBondContact O-CG1 3.41Å; K290-I294 PolarHBondContact O-N 2.77Å
291	H	98.9	Very high	98.6	Very high	76 Å²	76	46.6 Å²	46.6	35%	0.352	23%	0.233	S	C	.	.	H	α-helix	trans	-77.3	-40.4	177.9	-65.5	-80	0	0	0	111	A135 L136 K287 L288 I289 K293 I294 I295	A135-H291 HydrophobicContact CB-CB 3.99Å; L136-H291 HydrophobicContact CD2-CB 4.38Å; K287-H291 PolarHBondContact O-CD2 3.35Å; K287-H291 VanDerWaalsContact O-CD2 3.27Å; L288-H291 PolarHBondContact O-N 3.06Å; I289-H291 PolarHBondContact O-N 2.94Å; H291-K293 VanDerWaalsContact C-N 3.31Å; H291-K293 PolarHBondContact O-N 3.4Å; H291-I294 WeakPolarHBondContact O-CB 3.44Å; H291-I294 PolarHBondContact O-N 2.79Å; H291-I294 VanDerWaalsContact O-N 3.11Å; H291-I295 PolarHBondContact O-N 3.41Å
292	M	98.8	Very high	98.6	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-37.5	173	-58.9	-179.1	69.4	0	0	112.4	L120 A128 C131 A132 A135 I263 A282 L288 I289 I294 I295 H296	L120-M292 HydrophobicContact CD2-CB 3.61Å; A128-M292 VanDerWaalsContact O-CE 3.28Å; A128-M292 WeakPolarHBondContact O-CE 3.15Å; C131-M292 HydrophobicContact CB-CB 4.31Å; C131-M292 HydrophobicContact CB-CE 4.02Å; A132-M292 HydrophobicContact CB-CE 3.88Å; A132-M292 HydrophobicContact CB-SD 4.43Å; A135-M292 HydrophobicContact CB-CG 4.25Å; I263-M292 HydrophobicContact CD1-CG 4.49Å; I263-M292 HydrophobicContact CD1-SD 3.57Å; I263-M292 VanDerWaalsContact CD1-SD 3.57Å; I263-M292 HydrophobicContact CG1-SD 4.11Å; I263-M292 HydrophobicContact CG2-CE 4.22Å; I263-M292 HydrophobicContact CG2-SD 4.07Å; A282-M292 HydrophobicContact CB-CE 3.35Å; A282-M292 HydrophobicContact CB-SD 3.96Å; L288-M292 PolarHBondContact O-N 2.91Å; I289-M292 HydrophobicContact CD1-SD 3.99Å; I289-M292 PolarHBondContact O-N 2.89Å; I289-M292 VanDerWaalsContact O-N 3.16Å; M292-I294 VanDerWaalsContact C-N 3.3Å; M292-I294 PolarHBondContact O-N 2.84Å; M292-I295 PolarHBondContact O-N 3.21Å; M292-H296 WeakPolarHBondContact O-CB 3.28Å; M292-H296 PolarHBondContact O-N 2.7Å
293	K	98.8	Very high	98.6	Very high	12 Å²	12	49.5 Å²	49.5	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-38.1	172.9	-76.1	166	170	158.5	0	111.9	F92 F116 E117 L120 I289 H291 H296 Q297	F92-K293 HydrophobicContact CB-CG 4.31Å; F92-K293 HydrophobicContact CD1-CB 3.88Å; F92-K293 HydrophobicContact CD1-CG 3.68Å; F92-K293 HydrophobicContact CD2-CD 4.1Å; F92-K293 HydrophobicContact CD2-CG 4.15Å; F92-K293 HydrophobicContact CE1-CB 3.66Å; F92-K293 HydrophobicContact CE1-CG 3.99Å; F92-K293 WeakPolarHBondContact CE1-O 3.19Å; F92-K293 HydrophobicContact CE2-CD 4.35Å; F92-K293 HydrophobicContact CE2-CG 4.43Å; F92-K293 HydrophobicContact CG-CB 4.39Å; F92-K293 HydrophobicContact CG-CD 4.19Å; F92-K293 HydrophobicContact CG-CG 3.77Å; F92-K293 HydrophobicContact CZ-CB 4.01Å; F92-K293 HydrophobicContact CZ-CG 4.35Å; F116-K293 WeakPolarHBondContact O-CE 3.24Å; F116-K293 PolarHBondContact O-NZ 3.02Å; E117-K293 VanDerWaalsContact CA-NZ 3.33Å; E117-K293 PolarHBondContact O-NZ 3.25Å; E117-K293 IonicContact OE2-NZ 3.58Å; E117-K293 PolarHBondContact OE2-NZ 2.86Å; L120-K293 HydrophobicContact CD1-CG 4.23Å; I289-K293 HydrophobicContact CG2-CD 3.9Å; I289-K293 HydrophobicContact CG2-CG 4.04Å; I289-K293 WeakPolarHBondContact O-CB 3.5Å; I289-K293 WeakPolarHBondContact O-CG 3.3Å; I289-K293 PolarHBondContact O-N 3.37Å; H291-K293 VanDerWaalsContact C-N 3.31Å; H291-K293 PolarHBondContact O-N 3.4Å; K293-H296 PolarHBondContact O-N 3.02Å; K293-Q297 WeakPolarHBondContact O-CG 3.41Å; K293-Q297 PolarHBondContact O-N 3.07Å
294	I	98.9	Very high	98.6	Very high	83 Å²	83	52.6 Å²	52.6	43%	0.426	27%	0.274	S	S	.	.	H	α-helix	trans	-65.1	-40.6	175.9	-67.2	165.3	0	0	0	111.4	K290 H291 M292 Q297 N298	K290-I294 WeakPolarHBondContact O-CG1 3.41Å; K290-I294 PolarHBondContact O-N 2.77Å; H291-I294 WeakPolarHBondContact O-CB 3.44Å; H291-I294 PolarHBondContact O-N 2.79Å; H291-I294 VanDerWaalsContact O-N 3.11Å; M292-I294 VanDerWaalsContact C-N 3.3Å; M292-I294 PolarHBondContact O-N 2.84Å; I294-Q297 WeakPolarHBondContact O-CG 2.93Å; I294-N298 PolarHBondContact O-N 3.17Å; I294-N298 PolarHBondContact O-ND2 2.96Å
295	I	98.8	Very high	98.6	Very high	41 Å²	41	53.3 Å²	53.3	21%	0.21	28%	0.278	C	S	.	.	H	α-helix	trans	-68.5	-41.2	173.6	-57.1	-56.6	0	0	0	110.9	F130 C131 Q134 A135 H291 M292 N298 S299	F130-I295 HydrophobicContact CE1-CG2 4.4Å; C131-I295 HydrophobicContact CB-CB 4.44Å; C131-I295 HydrophobicContact CB-CG2 4.36Å; Q134-I295 HydrophobicContact CB-CD1 4.17Å; Q134-I295 HydrophobicContact CB-CG1 4.14Å; Q134-I295 HydrophobicContact CB-CG2 4Å; Q134-I295 WeakPolarHBondContact O-CD1 3.37Å; A135-I295 HydrophobicContact CB-CG1 3.72Å; H291-I295 PolarHBondContact O-N 3.41Å; M292-I295 PolarHBondContact O-N 3.21Å; I295-N298 PolarHBondContact O-N 3.45Å; I295-S299 WeakPolarHBondContact O-CB 3.28Å; I295-S299 PolarHBondContact O-N 3Å; I295-S299 VanDerWaalsContact O-N 3.11Å; I295-S299 PolarHBondContact O-OG 2.9Å
296	H	98.9	Very high	98.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-48.8	179.9	-169.5	103	0	0	0	112.5	L120 V121 Q127 M292 K293 N298 S299 V300 Y301	L120-H296 HydrophobicContact CD1-CB 4.14Å; L120-H296 HydrophobicContact CD2-CB 4.23Å; V121-H296 PolarHBondContact O-CE1 3.14Å; Q127-H296 PolarHBondContact NE2-ND1 3.4Å; Q127-H296 VanDerWaalsContact NE2-ND1 3.19Å; Q127-H296 PolarHBondContact OE1-ND1 2.75Å; M292-H296 WeakPolarHBondContact O-CB 3.28Å; M292-H296 PolarHBondContact O-N 2.7Å; K293-H296 PolarHBondContact O-N 3.02Å; H296-N298 VanDerWaalsContact C-N 3.27Å; H296-N298 PolarHBondContact O-N 2.83Å; H296-S299 WeakPolarHBondContact CA-OG 3.44Å; H296-S299 PolarHBondContact O-N 3.1Å; H296-S299 PolarHBondContact O-OG 3.31Å; H296-V300 PolarHBondContact O-N 2.98Å; H296-V300 VanDerWaalsContact O-N 3.15Å; H296-Y301 PolarHBondContact CD2-O 3.21Å; H296-Y301 PolarHBondContact NE2-O 3.31Å; H296-Y301 PolarHBondContact O-N 2.72Å
297	Q	98.5	Very high	98.6	Very high	74 Å²	74	52.9 Å²	52.9	35%	0.346	27%	0.274	S	S	.	.	H	α-helix	trans	-65.4	-28.6	179.8	71.8	-172.5	24.5	0	0	113.2	F92 K293 I294 Y301	F92-Q297 HydrophobicContact CE1-CB 4.12Å; K293-Q297 WeakPolarHBondContact O-CG 3.41Å; K293-Q297 PolarHBondContact O-N 3.07Å; I294-Q297 WeakPolarHBondContact O-CG 2.93Å; Q297-Y301 HydrophobicContact CB-CD2 4.32Å; Q297-Y301 HydrophobicContact CB-CE2 4.48Å; Q297-Y301 WeakPolarHBondContact O-CD2 3.45Å
298	N	98.7	Very high	98.7	Very high	127 Å²	127	45.5 Å²	45.5	68%	0.679	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	7	177.8	-69	-69.2	0	0	0	113.6	I294 I295 H296	I294-N298 PolarHBondContact O-N 3.17Å; I294-N298 PolarHBondContact O-ND2 2.96Å; I295-N298 PolarHBondContact O-N 3.45Å; H296-N298 VanDerWaalsContact C-N 3.27Å; H296-N298 PolarHBondContact O-N 2.83Å
299	S	98.3	Very high	98.7	Very high	62 Å²	62	46 Å²	46	43%	0.434	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-72.6	176.9	53.1	0	0	0	0	112.3	I295 H296	I295-S299 WeakPolarHBondContact O-CB 3.28Å; I295-S299 PolarHBondContact O-N 3Å; I295-S299 VanDerWaalsContact O-N 3.11Å; I295-S299 PolarHBondContact O-OG 2.9Å; H296-S299 WeakPolarHBondContact CA-OG 3.44Å; H296-S299 PolarHBondContact O-N 3.1Å; H296-S299 PolarHBondContact O-OG 3.31Å
300	V	98.3	Very high	98.6	Very high	64 Å²	64	46 Å²	46	39%	0.388	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-21.9	-176.3	-54.6	0	0	0	0	113.1	V123 Q127 H296 H302	V123-V300 HydrophobicContact CG2-CG1 4.38Å; V123-V300 HydrophobicContact CG2-CG2 4.27Å; Q127-V300 VanDerWaalsContact NE2-CG2 3.29Å; H296-V300 PolarHBondContact O-N 2.98Å; H296-V300 VanDerWaalsContact O-N 3.15Å; V300-H302 PolarHBondContact O-N 3Å
301	Y	98.4	Very high	98.7	Very high	124 Å²	124	40.9 Å²	40.9	49%	0.486	22%	0.221	S	C	.	.			trans	61.7	-47.7	-177.5	-152.8	-64.2	0	0	0	116.1	A91 H296 Q297	A91-Y301 CarbonylContact C-O 3.43Å; A91-Y301 WeakPolarHBondContact CA-O 3.47Å; A91-Y301 HydrophobicContact CB-CD1 3.78Å; A91-Y301 HydrophobicContact CB-CE1 3.71Å; A91-Y301 VanDerWaalsContact CB-O 3.29Å; A91-Y301 WeakPolarHBondContact CB-O 3.47Å; H296-Y301 PolarHBondContact CD2-O 3.21Å; H296-Y301 PolarHBondContact NE2-O 3.31Å; H296-Y301 PolarHBondContact O-N 2.72Å; Q297-Y301 HydrophobicContact CB-CD2 4.32Å; Q297-Y301 HydrophobicContact CB-CE2 4.48Å; Q297-Y301 WeakPolarHBondContact O-CD2 3.45Å
302	H	98.7	Very high	98.7	Very high	51 Å²	51	37.3 Å²	37.3	24%	0.236	21%	0.205	C	C	.	.			trans	-131.8	147.5	-179	-54.4	102.5	0	0	0	111	Y88 T89 V300	Y88-H302 HydrophobicContact CD1-CB 4.09Å; Y88-H302 AromaticContact CD1-CE1 3.78Å; Y88-H302 AromaticContact CD1-CG 3.68Å; Y88-H302 AromaticContact CD1-ND1 3.41Å; Y88-H302 WeakPolarHBondContact CD1-ND1 3.46Å; Y88-H302 AromaticContact CE1-ND1 3.67Å; Y88-H302 AromaticContact CG-CE1 3.88Å; Y88-H302 AromaticContact CG-ND1 3.99Å; T89-H302 PolarHBondContact O-CD2 3.14Å; T89-H302 VanDerWaalsContact O-CD2 3.24Å; V300-H302 PolarHBondContact O-N 3Å
303	C	98.8	Very high	98.6	Very high	12 Å²	12	40.4 Å²	40.4	8%	0.081	22%	0.219	C	C	.	.			trans	-98.3	160.6	163.9	-71.4	0	0	0	0	111.1	V121 T305 Q308	V121-C303 HydrophobicContact CG1-CB 4.41Å; C303-T305 PolarHBondContact O-N 3.14Å; C303-Q308 HydrophobicContact CB-CG 4.47Å; C303-Q308 PolarHBondContact O-NE2 3.01Å
304	A	98.4	Very high	98.6	Very high	70 Å²	70	39.8 Å²	39.8	58%	0.579	22%	0.217	S	C	*	.			trans	-61.9	123.6	-176.8	0	0	0	0	0	112.3	A307 Q308	A304-A307 HydrophobicContact CB-CB 4.33Å; A304-Q308 WeakPolarHBondContact O-CG 3.38Å; A304-Q308 PolarHBondContact O-N 2.8Å; A304-Q308 PolarHBondContact O-NE2 2.94Å
305	T	98.7	Very high	98.6	Very high	14 Å²	14	35.9 Å²	35.9	9%	0.086	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-54.9	-172.2	-57	0	0	0	0	112.7	M85 Q87 T89 C303 A307 Q308 E309	M85-T305 HydrophobicContact SD-CG2 4.1Å; Q87-T305 PolarHBondContact O-OG1 3.08Å; T89-T305 HydrophobicContact CG2-CG2 4.33Å; C303-T305 PolarHBondContact O-N 3.14Å; T305-A307 VanDerWaalsContact C-N 3.3Å; T305-A307 PolarHBondContact O-N 2.81Å; T305-Q308 PolarHBondContact O-N 2.86Å; T305-Q308 VanDerWaalsContact O-N 3.13Å; T305-E309 PolarHBondContact O-N 2.96Å
306	A	98.4	Very high	98.6	Very high	12 Å²	12	35.4 Å²	35.4	10%	0.099	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-34.5	-177	0	0	0	0	0	114.1	F75 A78 V79 A310	F75-A306 HydrophobicContact CE2-CB 4.14Å; A78-A306 HydrophobicContact CB-CB 3.94Å; A78-A306 WeakPolarHBondContact CB-O 3.36Å; V79-A306 HydrophobicContact CG2-CB 4.03Å; A306-A310 PolarHBondContact O-N 3.42Å; A306-A310 VanDerWaalsContact O-N 3.08Å
307	A	98.6	Very high	98.6	Very high	7 Å²	7	38.8 Å²	38.8	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-70.2	-38.5	177.9	0	0	0	0	0	111.5	F75 V279 A304 T305 A310 V311	F75-A307 HydrophobicContact CE2-CB 3.89Å; V279-A307 HydrophobicContact CG2-CB 3.73Å; A304-A307 HydrophobicContact CB-CB 4.33Å; T305-A307 VanDerWaalsContact C-N 3.3Å; T305-A307 PolarHBondContact O-N 2.81Å; A307-A310 PolarHBondContact O-N 3.22Å; A307-V311 VanDerWaalsContact O-CG2 3.27Å; A307-V311 WeakPolarHBondContact O-CG2 3.47Å; A307-V311 PolarHBondContact O-N 2.99Å; A307-V311 VanDerWaalsContact O-N 3.11Å
308	Q	98.8	Very high	98.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.1	-40	175.4	-68.2	172.1	86.2	0	0	112.3	H94 L97 V121 V279 C303 A304 T305 V311 S312	H94-Q308 HydrophobicContact CB-CB 3.6Å; H94-Q308 HydrophobicContact CB-CG 4.33Å; L97-Q308 HydrophobicContact CB-CB 4.29Å; L97-Q308 HydrophobicContact CD2-CB 3.63Å; L97-Q308 HydrophobicContact CD2-CG 3.71Å; V121-Q308 HydrophobicContact CG1-CG 3.99Å; V279-Q308 HydrophobicContact CG1-CG 4.36Å; V279-Q308 HydrophobicContact CG2-CG 4.44Å; C303-Q308 HydrophobicContact CB-CG 4.47Å; C303-Q308 PolarHBondContact O-NE2 3.01Å; A304-Q308 WeakPolarHBondContact O-CG 3.38Å; A304-Q308 PolarHBondContact O-N 2.8Å; A304-Q308 PolarHBondContact O-NE2 2.94Å; T305-Q308 PolarHBondContact O-N 2.86Å; T305-Q308 VanDerWaalsContact O-N 3.13Å; Q308-V311 PolarHBondContact O-N 3.45Å; Q308-S312 PolarHBondContact O-N 2.97Å
309	E	98.6	Very high	98.6	Very high	30 Å²	30	32.2 Å²	32.2	14%	0.14	17%	0.17	C	C	.	.	H	α-helix	trans	-57.1	-51.5	173.4	178.6	63.7	-174	0	0	110.1	A78 M85 H94 R96 T305 V311 S312 H313	A78-E309 HydrophobicContact CB-CB 4.04Å; A78-E309 HydrophobicContact CB-CG 3.92Å; M85-E309 HydrophobicContact SD-CB 4.15Å; M85-E309 HydrophobicContact SD-CG 4.12Å; H94-E309 IonicContact CD2-OE2 3.73Å; H94-E309 IonicContact NE2-OE2 2.74Å; H94-E309 PolarHBondContact NE2-OE2 3.01Å; R96-E309 WeakPolarHBondContact CD-OE2 3.4Å; T305-E309 PolarHBondContact O-N 2.96Å; E309-V311 PolarHBondContact O-N 3.18Å; E309-S312 WeakPolarHBondContact O-CB 3.39Å; E309-S312 PolarHBondContact O-N 3.33Å; E309-S312 PolarHBondContact O-OG 2.93Å; E309-H313 PolarHBondContact O-CD2 2.94Å; E309-H313 PolarHBondContact O-N 3.19Å; E309-H313 IonicContact OE1-CD2 3.6Å; E309-H313 IonicContact OE1-CE1 2.76Å; E309-H313 IonicContact OE1-NE2 2.74Å; E309-H313 PolarHBondContact OE1-NE2 3.5Å
310	A	98.7	Very high	98.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.5	-43.7	178.8	0	0	0	0	0	113.8	A74 F75 W277 A306 A307 S312 H313 G314	A74-A310 HydrophobicContact CB-CB 4.18Å; F75-A310 HydrophobicContact CB-CB 3.64Å; F75-A310 HydrophobicContact CD2-CB 3.89Å; F75-A310 HydrophobicContact CG-CB 4.2Å; W277-A310 HydrophobicContact CH2-CB 3.81Å; W277-A310 HydrophobicContact CZ3-CB 3.66Å; A306-A310 PolarHBondContact O-N 3.42Å; A306-A310 VanDerWaalsContact O-N 3.08Å; A307-A310 PolarHBondContact O-N 3.22Å; A310-S312 VanDerWaalsContact C-N 3.28Å; A310-S312 PolarHBondContact O-N 3.13Å; A310-H313 PolarHBondContact O-N 3.15Å; A310-G314 PolarHBondContact O-N 3.47Å; A310-G314 VanDerWaalsContact O-N 3.14Å
311	V	98.9	Very high	98.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-33.7	176.7	173.1	0	0	0	0	111.5	L97 A268 F272 W277 V279 A307 Q308 E309 G314 F315	L97-V311 HydrophobicContact CD1-CB 4.13Å; L97-V311 HydrophobicContact CD1-CG1 3.64Å; A268-V311 HydrophobicContact CB-CB 4.31Å; A268-V311 HydrophobicContact CB-CG1 3.71Å; A268-V311 HydrophobicContact CB-CG2 3.51Å; F272-V311 HydrophobicContact CE2-CG1 4.23Å; W277-V311 HydrophobicContact CE3-CG2 3.85Å; W277-V311 HydrophobicContact CZ3-CG2 3.97Å; V279-V311 HydrophobicContact CB-CG2 4.19Å; V279-V311 HydrophobicContact CG1-CB 4.47Å; V279-V311 HydrophobicContact CG1-CG1 4.39Å; V279-V311 HydrophobicContact CG1-CG2 4.2Å; V279-V311 HydrophobicContact CG2-CG2 4.43Å; A307-V311 VanDerWaalsContact O-CG2 3.27Å; A307-V311 WeakPolarHBondContact O-CG2 3.47Å; A307-V311 PolarHBondContact O-N 2.99Å; A307-V311 VanDerWaalsContact O-N 3.11Å; Q308-V311 PolarHBondContact O-N 3.45Å; E309-V311 PolarHBondContact O-N 3.18Å; V311-G314 PolarHBondContact O-N 3.19Å; V311-F315 HydrophobicContact CG1-CD2 3.87Å; V311-F315 HydrophobicContact CG1-CE2 3.89Å; V311-F315 WeakPolarHBondContact O-CD2 3.35Å; V311-F315 PolarHBondContact O-N 2.88Å
312	S	98.8	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.7	-42.6	177.3	78.1	0	0	0	0	112.8	R96 L97 Q308 E309 A310 G314 F315 D316	R96-S312 WeakPolarHBondContact CD-OG 3.06Å; R96-S312 WeakPolarHBondContact CG-OG 3.31Å; R96-S312 PolarHBondContact NE-OG 3.5Å; L97-S312 VanDerWaalsContact CA-CB 3.48Å; Q308-S312 PolarHBondContact O-N 2.97Å; E309-S312 WeakPolarHBondContact O-CB 3.39Å; E309-S312 PolarHBondContact O-N 3.33Å; E309-S312 PolarHBondContact O-OG 2.93Å; A310-S312 VanDerWaalsContact C-N 3.28Å; A310-S312 PolarHBondContact O-N 3.13Å; S312-G314 PolarHBondContact O-N 3.39Å; S312-F315 PolarHBondContact O-N 2.84Å; S312-D316 PolarHBondContact O-N 3.19Å
313	H	98.6	Very high	98.2	Very high	65 Å²	65	32.9 Å²	32.9	30%	0.301	18%	0.183	S	C	.	.	H	α-helix	trans	-61.3	-35.8	171.4	-71	-78.8	0	0	0	111.8	A74 E309 A310 D316 R317	A74-H313 HydrophobicContact CB-CB 3.78Å; E309-H313 PolarHBondContact O-CD2 2.94Å; E309-H313 PolarHBondContact O-N 3.19Å; E309-H313 IonicContact OE1-CD2 3.6Å; E309-H313 IonicContact OE1-CE1 2.76Å; E309-H313 IonicContact OE1-NE2 2.74Å; E309-H313 PolarHBondContact OE1-NE2 3.5Å; A310-H313 PolarHBondContact O-N 3.15Å; H313-D316 PolarHBondContact O-N 3.48Å; H313-R317 PolarHBondContact O-N 3.32Å
314	G	98.6	Very high	98.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-50.2	173	0	0	0	0	0	112.4	A310 V311 S312 E318	A310-G314 PolarHBondContact O-N 3.47Å; A310-G314 VanDerWaalsContact O-N 3.14Å; V311-G314 PolarHBondContact O-N 3.19Å; S312-G314 PolarHBondContact O-N 3.39Å; G314-E318 WeakPolarHBondContact O-CG 3.42Å; G314-E318 PolarHBondContact O-N 3.23Å
315	F	98.8	Very high	98.1	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-67.6	-35	176.6	-86.8	-71.5	0	0	0	113.8	L97 L101 F104 F105 T271 F272 W281 V311 S312 E318 Y319 F329	L97-F315 HydrophobicContact CD1-CD2 4.47Å; L101-F315 HydrophobicContact CD2-CD2 3.89Å; L101-F315 HydrophobicContact CD2-CE1 4.43Å; L101-F315 HydrophobicContact CD2-CE2 3.55Å; L101-F315 HydrophobicContact CD2-CG 4.46Å; L101-F315 HydrophobicContact CD2-CZ 3.85Å; F104-F315 HydrophobicContact CB-CD1 4.38Å; F104-F315 AromaticContact CD2-CD1 3.95Å; F104-F315 HydrophobicContact CD2-CD1 3.95Å; F104-F315 HydrophobicContact CE2-CD1 4.44Å; F104-F315 HydrophobicContact CG-CD1 4.03Å; F104-F315 HydrophobicContact CG-CE1 4.5Å; F105-F315 HydrophobicContact CE2-CE1 4.26Å; F105-F315 HydrophobicContact CE2-CZ 4.36Å; F105-F315 HydrophobicContact CZ-CE1 4.31Å; F105-F315 HydrophobicContact CZ-CZ 4.48Å; T271-F315 HydrophobicContact CG2-CE1 4.47Å; T271-F315 HydrophobicContact CG2-CZ 4.04Å; F272-F315 AromaticContact CE2-CD2 3.94Å; F272-F315 HydrophobicContact CE2-CD2 3.94Å; F272-F315 AromaticContact CE2-CE2 3.83Å; F272-F315 HydrophobicContact CE2-CE2 3.83Å; F272-F315 HydrophobicContact CE2-CZ 4.35Å; F272-F315 HydrophobicContact CZ-CD2 4.21Å; F272-F315 HydrophobicContact CZ-CE2 4.34Å; F272-F315 HydrophobicContact CZ-CG 4.36Å; W281-F315 AromaticContact CH2-CE2 3.55Å; W281-F315 HydrophobicContact CH2-CE2 3.55Å; W281-F315 AromaticContact CH2-CZ 3.43Å; W281-F315 HydrophobicContact CH2-CZ 3.43Å; W281-F315 VanDerWaalsContact CH2-CZ 3.43Å; W281-F315 HydrophobicContact CZ2-CE2 4.18Å; W281-F315 AromaticContact CZ2-CZ 3.68Å; W281-F315 HydrophobicContact CZ2-CZ 3.68Å; W281-F315 AromaticContact CZ3-CE2 3.77Å; W281-F315 HydrophobicContact CZ3-CE2 3.77Å; W281-F315 HydrophobicContact CZ3-CZ 4.12Å; V311-F315 HydrophobicContact CG1-CD2 3.87Å; V311-F315 HydrophobicContact CG1-CE2 3.89Å; V311-F315 WeakPolarHBondContact O-CD2 3.35Å; V311-F315 PolarHBondContact O-N 2.88Å; S312-F315 PolarHBondContact O-N 2.84Å; F315-E318 PolarHBondContact O-N 3.14Å; F315-Y319 WeakPolarHBondContact O-CB 3.44Å; F315-Y319 PolarHBondContact O-N 3.4Å; F315-F329 HydrophobicContact CD1-CZ 4.49Å; F315-F329 HydrophobicContact CE1-CZ 4.18Å
316	D	98.6	Very high	98.1	Very high	31 Å²	31	39.8 Å²	39.8	17%	0.166	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-46.3	176.4	-69.3	-24	0	0	0	110.8	R96 S100 S312 H313 Y319 E320	R96-D316 IonicContact CZ-OD2 3.15Å; R96-D316 IonicContact NE-OD2 3.59Å; R96-D316 PolarHBondContact NE-OD2 2.98Å; R96-D316 VanDerWaalsContact NE-OD2 3.15Å; R96-D316 IonicContact NH2-OD2 3.22Å; R96-D316 PolarHBondContact NH2-OD2 3.14Å; S100-D316 VanDerWaalsContact CB-OD1 3.31Å; S100-D316 WeakPolarHBondContact CB-OD1 3.35Å; S100-D316 PolarHBondContact OG-OD1 3.03Å; S312-D316 PolarHBondContact O-N 3.19Å; H313-D316 PolarHBondContact O-N 3.48Å; D316-Y319 WeakPolarHBondContact O-CB 3.21Å; D316-Y319 PolarHBondContact O-N 3.39Å; D316-E320 PolarHBondContact O-N 3.46Å
317	R	98.5	Very high	98.1	Very high	70 Å²	70	39.2 Å²	39.2	26%	0.264	21%	0.208	S	C	.	.	H	α-helix	trans	-59.8	-50.6	173.6	-176.5	-160.8	-178.3	-97.8	-4.9	111.6	F70 H313 Y319 E320 L321 E326	F70-R317 HydrophobicContact CD2-CB 4.38Å; F70-R317 HydrophobicContact CD2-CG 4.45Å; F70-R317 HydrophobicContact CE2-CB 4.37Å; F70-R317 VanDerWaalsContact CE2-CD 3.46Å; F70-R317 HydrophobicContact CE2-CG 4.49Å; F70-R317 VanDerWaalsContact CG-CD 3.49Å; H313-R317 PolarHBondContact O-N 3.32Å; R317-Y319 PolarHBondContact O-N 3.21Å; R317-E320 PolarHBondContact O-N 3.11Å; R317-L321 HydrophobicContact CG-CD1 3.92Å; R317-L321 VanDerWaalsContact NH2-CD1 3.32Å; R317-L321 PolarHBondContact O-N 3.32Å; R317-L321 VanDerWaalsContact O-N 3.11Å; R317-E326 PolarHBondContact NH1-O 3.26Å; R317-E326 PolarHBondContact NH2-O 2.92Å
318	E	98.6	Very high	98.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.3	-25.1	-177.2	-67.3	-59.4	127.4	0	0	112.4	F70 F104 F272 G314 F315 F322 S327 Y328 F329	F70-E318 HydrophobicContact CZ-CG 4.45Å; F70-E318 WeakPolarHBondContact CZ-OE1 3.44Å; F104-E318 HydrophobicContact CE2-CB 4.22Å; F272-E318 HydrophobicContact CE1-CG 3.94Å; F272-E318 HydrophobicContact CZ-CG 4.46Å; G314-E318 WeakPolarHBondContact O-CG 3.42Å; G314-E318 PolarHBondContact O-N 3.23Å; F315-E318 PolarHBondContact O-N 3.14Å; E318-F322 VanDerWaalsContact O-CA 3.3Å; E318-F322 WeakPolarHBondContact O-CA 3.42Å; E318-F322 VanDerWaalsContact O-CB 3.25Å; E318-F322 WeakPolarHBondContact O-CB 3.25Å; E318-F322 PolarHBondContact O-N 2.65Å; E318-S327 WeakPolarHBondContact OE2-CA 3.29Å; E318-S327 WeakPolarHBondContact OE2-CB 3.49Å; E318-S327 PolarHBondContact OE2-OG 2.93Å; E318-Y328 VanDerWaalsContact CD-N 3.29Å; E318-Y328 WeakPolarHBondContact OE1-CB 3.49Å; E318-Y328 PolarHBondContact OE1-N 2.77Å; E318-Y328 PolarHBondContact OE2-N 3.34Å; E318-F329 HydrophobicContact CB-CD2 4.11Å; E318-F329 HydrophobicContact CB-CE1 4.33Å; E318-F329 HydrophobicContact CB-CE2 3.6Å; E318-F329 HydrophobicContact CB-CZ 3.72Å; E318-F329 HydrophobicContact CG-CD1 4.22Å; E318-F329 HydrophobicContact CG-CD2 4.37Å; E318-F329 HydrophobicContact CG-CE1 3.76Å; E318-F329 HydrophobicContact CG-CE2 3.97Å; E318-F329 HydrophobicContact CG-CG 4.49Å; E318-F329 HydrophobicContact CG-CZ 3.64Å; E318-F329 PolarHBondContact OE2-N 3.2Å
319	Y	98.3	Very high	98	Very high	63 Å²	63	40.1 Å²	40.1	25%	0.247	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-44.6	172.3	-173.7	-87.2	0	0	0	112	K103 F104 R107 F315 D316 R317	K103-Y319 HydrophobicContact CD-CE2 4.41Å; K103-Y319 HydrophobicContact CG-CD2 4.26Å; K103-Y319 HydrophobicContact CG-CE2 3.86Å; F104-Y319 HydrophobicContact CB-CD2 4.19Å; F104-Y319 AromaticContact CD2-CD2 3.88Å; F104-Y319 HydrophobicContact CD2-CD2 3.88Å; F104-Y319 HydrophobicContact CD2-CG 4.39Å; F104-Y319 HydrophobicContact CG-CD2 4.28Å; R107-Y319 HydrophobicContact CB-CE2 4.21Å; R107-Y319 PolarHBondContact NH1-O 3.13Å; F315-Y319 WeakPolarHBondContact O-CB 3.44Å; F315-Y319 PolarHBondContact O-N 3.4Å; D316-Y319 WeakPolarHBondContact O-CB 3.21Å; D316-Y319 PolarHBondContact O-N 3.39Å; R317-Y319 PolarHBondContact O-N 3.21Å
320	E	98.2	Very high	98	Very high	152 Å²	152	43.3 Å²	43.3	71%	0.71	23%	0.225	S	C	*	.	H	α-helix	trans	-68.4	-39	-179.3	-68.1	175.8	174.3	0	0	111.6	D316 R317	D316-E320 PolarHBondContact O-N 3.46Å; R317-E320 PolarHBondContact O-N 3.11Å
321	L	98.1	Very high	97.9	Very high	44 Å²	44	47.7 Å²	47.7	23%	0.23	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	5.2	179.9	-57.6	177.1	0	0	0	113.6	R317 G323 T324 E326 S327	R317-L321 HydrophobicContact CG-CD1 3.92Å; R317-L321 VanDerWaalsContact NH2-CD1 3.32Å; R317-L321 PolarHBondContact O-N 3.32Å; R317-L321 VanDerWaalsContact O-N 3.11Å; L321-G323 PolarHBondContact O-N 3.44Å; L321-T324 PolarHBondContact O-N 3.26Å; L321-T324 PolarHBondContact O-OG1 3Å; L321-E326 HydrophobicContact CD1-CB 4.08Å; L321-E326 HydrophobicContact CD2-CB 4.32Å; L321-S327 WeakPolarHBondContact O-CB 3.23Å
322	F	96.9	Very high	97.9	Very high	60 Å²	60	47.9 Å²	47.9	26%	0.263	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	112.5	-168.6	-169.8	-118.1	0	0	0	112.5	F104 W241 E318 F329	F104-F322 HydrophobicContact CE1-CD2 4.49Å; F104-F322 HydrophobicContact CE1-CE2 4.3Å; F104-F322 HydrophobicContact CE2-CD2 4.21Å; F104-F322 AromaticContact CZ-CD2 3.55Å; F104-F322 HydrophobicContact CZ-CD2 3.55Å; F104-F322 AromaticContact CZ-CE2 3.74Å; F104-F322 HydrophobicContact CZ-CE2 3.74Å; F104-F322 HydrophobicContact CZ-CG 4.15Å; F104-F322 HydrophobicContact CZ-CZ 4.44Å; W241-F322 HydrophobicContact CE3-CE2 4.37Å; W241-F322 HydrophobicContact CH2-CE2 4.11Å; W241-F322 HydrophobicContact CH2-CZ 4.39Å; W241-F322 AromaticContact CZ3-CE2 3.62Å; W241-F322 HydrophobicContact CZ3-CE2 3.62Å; W241-F322 AromaticContact CZ3-CZ 3.98Å; W241-F322 HydrophobicContact CZ3-CZ 3.98Å; E318-F322 VanDerWaalsContact O-CA 3.3Å; E318-F322 WeakPolarHBondContact O-CA 3.42Å; E318-F322 VanDerWaalsContact O-CB 3.25Å; E318-F322 WeakPolarHBondContact O-CB 3.25Å; E318-F322 PolarHBondContact O-N 2.65Å; F322-F329 HydrophobicContact CD2-CD2 4.35Å; F322-F329 HydrophobicContact CE2-CD2 4.35Å
323	G	93.1	Very high	97.9	Very high	59 Å²	59	48.5 Å²	48.5	61%	0.608	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	1.2	-177.6	0	0	0	0	0	115.1	L321	L321-G323 PolarHBondContact O-N 3.44Å
324	T	97.8	Very high	97.8	Very high	46 Å²	46	48.3 Å²	48.3	28%	0.282	26%	0.26	S	S	.	.	S	Bend	trans	-98.4	159.6	175.2	85.8	0	0	0	0	112.2	L321 E326 S327 Q330	L321-T324 PolarHBondContact O-N 3.26Å; L321-T324 PolarHBondContact O-OG1 3Å; T324-E326 WeakPolarHBondContact CB-OE2 3.25Å; T324-E326 PolarHBondContact O-N 3.25Å; T324-E326 VanDerWaalsContact O-N 3.13Å; T324-E326 PolarHBondContact OG1-N 3.44Å; T324-E326 PolarHBondContact OG1-OE2 2.83Å; T324-S327 WeakPolarHBondContact O-CB 3.3Å; T324-S327 PolarHBondContact O-N 2.86Å; T324-S327 VanDerWaalsContact O-N 3.17Å; T324-Q330 WeakPolarHBondContact O-CG 3.27Å
325	P	97.1	Very high	97.8	Very high	98 Å²	98	51.7 Å²	51.7	64%	0.636	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.5	176.6	-23.8	35.7	0	0	0	115.2	Q331	P325-Q331 VanDerWaalsContact O-CG 3.24Å; P325-Q331 WeakPolarHBondContact O-CG 3.2Å; P325-Q331 PolarHBondContact O-NE2 3.45Å
326	E	97.5	Very high	97.7	Very high	97 Å²	97	51.6 Å²	51.6	45%	0.453	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-12	179.4	-57.6	70.9	-148.9	0	0	113.2	R317 L321 T324	R317-E326 PolarHBondContact NH1-O 3.26Å; R317-E326 PolarHBondContact NH2-O 2.92Å; L321-E326 HydrophobicContact CD1-CB 4.08Å; L321-E326 HydrophobicContact CD2-CB 4.32Å; T324-E326 WeakPolarHBondContact CB-OE2 3.25Å; T324-E326 PolarHBondContact O-N 3.25Å; T324-E326 VanDerWaalsContact O-N 3.13Å; T324-E326 PolarHBondContact OG1-N 3.44Å; T324-E326 PolarHBondContact OG1-OE2 2.83Å
327	S	98.4	Very high	97.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-67.8	131.9	173.1	168.1	0	0	0	0	110.7	E318 L321 T324 F329 Q330 Q331	E318-S327 WeakPolarHBondContact OE2-CA 3.29Å; E318-S327 WeakPolarHBondContact OE2-CB 3.49Å; E318-S327 PolarHBondContact OE2-OG 2.93Å; L321-S327 WeakPolarHBondContact O-CB 3.23Å; T324-S327 WeakPolarHBondContact O-CB 3.3Å; T324-S327 PolarHBondContact O-N 2.86Å; T324-S327 VanDerWaalsContact O-N 3.17Å; S327-F329 PolarHBondContact O-N 3.03Å; S327-F329 WeakPolarHBondContact OG-CB 3.06Å; S327-F329 PolarHBondContact OG-N 3.48Å; S327-F329 VanDerWaalsContact OG-N 3.13Å; S327-Q330 PolarHBondContact O-N 2.88Å; S327-Q331 WeakPolarHBondContact O-CG 3.46Å; S327-Q331 PolarHBondContact O-N 2.99Å
328	Y	98.6	Very high	97.6	Very high	20 Å²	20	55.5 Å²	55.5	8%	0.078	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-29.2	172.3	-168.9	-114.5	0	0	0	111.7	P68 F70 F272 S273 E318 Q330 Q331 L332	P68-Y328 HydrophobicContact CB-CD2 3.8Å; P68-Y328 HydrophobicContact CB-CE2 3.69Å; P68-Y328 HydrophobicContact CB-CG 4.32Å; P68-Y328 HydrophobicContact CG-CD1 4Å; P68-Y328 HydrophobicContact CG-CD2 3.96Å; P68-Y328 HydrophobicContact CG-CE1 3.84Å; P68-Y328 HydrophobicContact CG-CE2 3.82Å; P68-Y328 HydrophobicContact CG-CG 4.05Å; F70-Y328 HydrophobicContact CE1-CG 4.37Å; F70-Y328 HydrophobicContact CZ-CG 4.41Å; F272-Y328 HydrophobicContact CD1-CD1 4.3Å; S273-Y328 WeakPolarHBondContact CB-OH 3.31Å; S273-Y328 PolarHBondContact OG-OH 3.35Å; E318-Y328 VanDerWaalsContact CD-N 3.29Å; E318-Y328 WeakPolarHBondContact OE1-CB 3.49Å; E318-Y328 PolarHBondContact OE1-N 2.77Å; E318-Y328 PolarHBondContact OE2-N 3.34Å; Y328-Q330 PolarHBondContact O-N 3.48Å; Y328-Q331 PolarHBondContact O-N 2.84Å; Y328-L332 HydrophobicContact CD1-CB 4.41Å; Y328-L332 HydrophobicContact CD1-CD2 4.45Å; Y328-L332 HydrophobicContact CD2-CB 4.5Å; Y328-L332 HydrophobicContact CE1-CB 4.09Å; Y328-L332 HydrophobicContact CE1-CD2 3.64Å; Y328-L332 HydrophobicContact CE1-CG 4.35Å; Y328-L332 HydrophobicContact CE2-CB 4.18Å; Y328-L332 VanDerWaalsContact O-CB 3.3Å; Y328-L332 WeakPolarHBondContact O-CB 3.24Å; Y328-L332 PolarHBondContact O-N 3.5Å
329	F	97.9	Very high	97.6	Very high	6 Å²	6	56 Å²	56	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-70.5	-6.2	174.4	-53.2	-15.3	0	0	0	113.7	F104 W241 T271 F272 F315 E318 F322 S327 P333	F104-F329 HydrophobicContact CE1-CE2 4.39Å; F104-F329 AromaticContact CE2-CE2 3.97Å; F104-F329 HydrophobicContact CE2-CE2 3.97Å; F104-F329 HydrophobicContact CZ-CD2 4.07Å; F104-F329 AromaticContact CZ-CE2 3.62Å; F104-F329 HydrophobicContact CZ-CE2 3.62Å; W241-F329 HydrophobicContact CB-CB 4.2Å; W241-F329 HydrophobicContact CB-CD1 4.19Å; W241-F329 HydrophobicContact CB-CG 4.19Å; W241-F329 HydrophobicContact CD2-CB 4.16Å; W241-F329 HydrophobicContact CD2-CD1 4.19Å; W241-F329 AromaticContact CD2-CD2 3.52Å; W241-F329 HydrophobicContact CD2-CD2 3.52Å; W241-F329 AromaticContact CD2-CE2 3.87Å; W241-F329 HydrophobicContact CD2-CE2 3.87Å; W241-F329 AromaticContact CD2-CG 3.7Å; W241-F329 HydrophobicContact CD2-CG 3.7Å; W241-F329 HydrophobicContact CD2-CZ 4.38Å; W241-F329 AromaticContact CE2-CD2 3.79Å; W241-F329 AromaticContact CE2-CE2 3.63Å; W241-F329 HydrophobicContact CE3-CB 4.02Å; W241-F329 AromaticContact CE3-CD2 3.66Å; W241-F329 HydrophobicContact CE3-CD2 3.66Å; W241-F329 HydrophobicContact CE3-CE2 4.35Å; W241-F329 AromaticContact CE3-CG 3.96Å; W241-F329 HydrophobicContact CE3-CG 3.96Å; W241-F329 HydrophobicContact CG-CB 4.24Å; W241-F329 AromaticContact CG-CD1 3.83Å; W241-F329 HydrophobicContact CG-CD1 3.83Å; W241-F329 HydrophobicContact CG-CD2 4.06Å; W241-F329 HydrophobicContact CG-CE1 4.21Å; W241-F329 HydrophobicContact CG-CE2 4.38Å; W241-F329 AromaticContact CG-CG 3.78Å; W241-F329 HydrophobicContact CG-CG 3.78Å; W241-F329 HydrophobicContact CG-CZ 4.46Å; W241-F329 HydrophobicContact CH2-CD2 4.42Å; W241-F329 HydrophobicContact CZ2-CD2 4.24Å; W241-F329 AromaticContact CZ2-CE2 3.99Å; W241-F329 HydrophobicContact CZ2-CE2 3.99Å; W241-F329 HydrophobicContact CZ3-CD2 4.13Å; W241-F329 AromaticContact NE1-CE2 3.92Å; W241-F329 AromaticContact NE1-CZ 3.87Å; T271-F329 HydrophobicContact CG2-CD1 4.4Å; T271-F329 HydrophobicContact CG2-CE1 3.31Å; T271-F329 HydrophobicContact CG2-CZ 3.46Å; T271-F329 VanDerWaalsContact CG2-CZ 3.46Å; F272-F329 HydrophobicContact CD1-CE1 4.37Å; F272-F329 AromaticContact CE1-CE1 3.76Å; F272-F329 HydrophobicContact CE1-CE1 3.76Å; F272-F329 HydrophobicContact CE1-CZ 4.08Å; F272-F329 HydrophobicContact CZ-CE1 4.15Å; F272-F329 HydrophobicContact CZ-CZ 4.04Å; F315-F329 HydrophobicContact CD1-CZ 4.49Å; F315-F329 HydrophobicContact CE1-CZ 4.18Å; E318-F329 HydrophobicContact CB-CD2 4.11Å; E318-F329 HydrophobicContact CB-CE1 4.33Å; E318-F329 HydrophobicContact CB-CE2 3.6Å; E318-F329 HydrophobicContact CB-CZ 3.72Å; E318-F329 HydrophobicContact CG-CD1 4.22Å; E318-F329 HydrophobicContact CG-CD2 4.37Å; E318-F329 HydrophobicContact CG-CE1 3.76Å; E318-F329 HydrophobicContact CG-CE2 3.97Å; E318-F329 HydrophobicContact CG-CG 4.49Å; E318-F329 HydrophobicContact CG-CZ 3.64Å; E318-F329 PolarHBondContact OE2-N 3.2Å; F322-F329 HydrophobicContact CD2-CD2 4.35Å; F322-F329 HydrophobicContact CE2-CD2 4.35Å; S327-F329 PolarHBondContact O-N 3.03Å; S327-F329 WeakPolarHBondContact OG-CB 3.06Å; S327-F329 PolarHBondContact OG-N 3.48Å; S327-F329 VanDerWaalsContact OG-N 3.13Å; F329-P333 VanDerWaalsContact O-CG 3.29Å; F329-P333 WeakPolarHBondContact O-CG 3.34Å
330	Q	97.3	Very high	97.6	Very high	97 Å²	97	53 Å²	53	45%	0.453	29%	0.287	S	S	.	.	H	α-helix	trans	-105.7	-40.9	166.5	-66	-61.3	-49.1	0	0	111.7	T324 S327 Y328 P333 A334	T324-Q330 WeakPolarHBondContact O-CG 3.27Å; S327-Q330 PolarHBondContact O-N 2.88Å; Y328-Q330 PolarHBondContact O-N 3.48Å; Q330-P333 WeakPolarHBondContact O-CD 3.36Å; Q330-P333 WeakPolarHBondContact O-CG 3.22Å; Q330-A334 VanDerWaalsContact O-CB 3.32Å; Q330-A334 WeakPolarHBondContact O-CB 3.47Å; Q330-A334 PolarHBondContact O-N 2.72Å
331	Q	97.9	Very high	97.5	Very high	92 Å²	92	50.5 Å²	50.5	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-67.2	-43.1	-177.3	-66.9	176.8	-4.9	0	0	113.3	P325 S327 Y328 A334 M335	P325-Q331 VanDerWaalsContact O-CG 3.24Å; P325-Q331 WeakPolarHBondContact O-CG 3.2Å; P325-Q331 PolarHBondContact O-NE2 3.45Å; S327-Q331 WeakPolarHBondContact O-CG 3.46Å; S327-Q331 PolarHBondContact O-N 2.99Å; Y328-Q331 PolarHBondContact O-N 2.84Å; Q331-A334 PolarHBondContact O-N 3.22Å; Q331-M335 WeakPolarHBondContact O-CB 3.49Å; Q331-M335 PolarHBondContact O-N 3.43Å
332	L	98.2	Very high	97.4	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-54.7	180	-178.9	59.8	0	0	0	112.2	F65 L242 Y328 A334 M335 L336	F65-L332 HydrophobicContact CZ-CD1 4.39Å; L242-L332 HydrophobicContact CD2-CD2 3.72Å; L242-L332 HydrophobicContact CD2-CG 3.8Å; Y328-L332 HydrophobicContact CD1-CB 4.41Å; Y328-L332 HydrophobicContact CD1-CD2 4.45Å; Y328-L332 HydrophobicContact CD2-CB 4.5Å; Y328-L332 HydrophobicContact CE1-CB 4.09Å; Y328-L332 HydrophobicContact CE1-CD2 3.64Å; Y328-L332 HydrophobicContact CE1-CG 4.35Å; Y328-L332 HydrophobicContact CE2-CB 4.18Å; Y328-L332 VanDerWaalsContact O-CB 3.3Å; Y328-L332 WeakPolarHBondContact O-CB 3.24Å; Y328-L332 PolarHBondContact O-N 3.5Å; L332-A334 VanDerWaalsContact C-N 3.3Å; L332-A334 PolarHBondContact O-N 3.48Å; L332-M335 HydrophobicContact CD1-CE 3.79Å; L332-M335 PolarHBondContact O-N 3.47Å; L332-L336 HydrophobicContact CD1-CD1 3.73Å; L332-L336 HydrophobicContact CD1-CD2 4.45Å; L332-L336 HydrophobicContact CD1-CG 3.9Å; L332-L336 HydrophobicContact CG-CD1 3.93Å; L332-L336 HydrophobicContact CG-CG 4.41Å; L332-L336 WeakPolarHBondContact O-CB 3.36Å; L332-L336 VanDerWaalsContact O-CG 3.28Å; L332-L336 WeakPolarHBondContact O-CG 3.2Å; L332-L336 PolarHBondContact O-N 3.39Å
333	P	98.1	Very high	97.3	Very high	13 Å²	13	48.8 Å²	48.8	8%	0.084	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-34.7	177.2	22.6	-32.5	0	0	0	112.8	W241 Y244 F329 Q330 L336 H337	W241-P333 WeakPolarHBondContact O-CG 3.29Å; Y244-P333 HydrophobicContact CE1-CB 4.19Å; Y244-P333 WeakPolarHBondContact CE1-O 3.45Å; F329-P333 VanDerWaalsContact O-CG 3.29Å; F329-P333 WeakPolarHBondContact O-CG 3.34Å; Q330-P333 WeakPolarHBondContact O-CD 3.36Å; Q330-P333 WeakPolarHBondContact O-CG 3.22Å; P333-L336 PolarHBondContact O-N 3.38Å; P333-H337 VanDerWaalsContact O-CB 3.29Å; P333-H337 WeakPolarHBondContact O-CB 3.23Å; P333-H337 PolarHBondContact O-N 3.27Å
334	A	97.5	Very high	97.5	Very high	61 Å²	61	46 Å²	46	50%	0.504	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-43.9	175.8	0	0	0	0	0	112.8	Q330 Q331 L332	Q330-A334 VanDerWaalsContact O-CB 3.32Å; Q330-A334 WeakPolarHBondContact O-CB 3.47Å; Q330-A334 PolarHBondContact O-N 2.72Å; Q331-A334 PolarHBondContact O-N 3.22Å; L332-A334 VanDerWaalsContact C-N 3.3Å; L332-A334 PolarHBondContact O-N 3.48Å
335	M	97.6	Very high	97.3	Very high	70 Å²	70	47.6 Å²	47.6	35%	0.345	25%	0.25	S	S	.	.	H	α-helix	trans	-64.1	-43.9	174	-179.7	-171	75.3	0	0	111.8	F65 Q331 L332 H337 Q338 K339	F65-M335 HydrophobicContact CE1-CE 3.98Å; F65-M335 HydrophobicContact CE2-CE 4.02Å; F65-M335 HydrophobicContact CZ-CE 3.53Å; Q331-M335 WeakPolarHBondContact O-CB 3.49Å; Q331-M335 PolarHBondContact O-N 3.43Å; L332-M335 HydrophobicContact CD1-CE 3.79Å; L332-M335 PolarHBondContact O-N 3.47Å; M335-H337 VanDerWaalsContact C-N 3.34Å; M335-H337 PolarHBondContact O-N 2.96Å; M335-Q338 PolarHBondContact O-N 3.08Å; M335-K339 PolarHBondContact O-N 2.94Å
336	L	98.2	Very high	97	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-72.4	-27	-177.7	-66.3	-176.5	0	0	0	113.3	L242 Y244 L332 P333 Q338 K339 R340 Y361 F423 V424	L242-L336 HydrophobicContact CD2-CD1 3.82Å; Y244-L336 HydrophobicContact CE1-CB 4.06Å; L332-L336 HydrophobicContact CD1-CD1 3.73Å; L332-L336 HydrophobicContact CD1-CD2 4.45Å; L332-L336 HydrophobicContact CD1-CG 3.9Å; L332-L336 HydrophobicContact CG-CD1 3.93Å; L332-L336 HydrophobicContact CG-CG 4.41Å; L332-L336 WeakPolarHBondContact O-CB 3.36Å; L332-L336 VanDerWaalsContact O-CG 3.28Å; L332-L336 WeakPolarHBondContact O-CG 3.2Å; L332-L336 PolarHBondContact O-N 3.39Å; P333-L336 PolarHBondContact O-N 3.38Å; L336-Q338 VanDerWaalsContact C-N 3.32Å; L336-Q338 PolarHBondContact O-N 3.42Å; L336-K339 HydrophobicContact CD2-CD 4.04Å; L336-K339 PolarHBondContact O-N 3Å; L336-R340 VanDerWaalsContact O-CB 3.3Å; L336-R340 WeakPolarHBondContact O-CB 3.2Å; L336-R340 PolarHBondContact O-N 2.86Å; L336-Y361 HydrophobicContact CD1-CD1 4.46Å; L336-Y361 HydrophobicContact CD1-CE1 4.23Å; L336-F423 HydrophobicContact CB-CD2 4.5Å; L336-F423 HydrophobicContact CB-CE2 4.16Å; L336-V424 HydrophobicContact CD1-CG1 4.24Å; L336-V424 HydrophobicContact CD1-CG2 3.63Å; L336-V424 HydrophobicContact CD2-CB 4.16Å; L336-V424 HydrophobicContact CD2-CG1 4Å; L336-V424 HydrophobicContact CD2-CG2 3.84Å; L336-V424 HydrophobicContact CG-CG2 4.31Å
337	H	97.8	Very high	96.8	Very high	46 Å²	46	38.7 Å²	38.7	21%	0.213	20%	0.201	C	C	.	.	H	α-helix	trans	-56.5	-45.9	173.9	-177.7	-88.3	0	0	0	111.7	Y244 D245 P333 M335 R340 Q341	Y244-H337 HydrophobicContact CD1-CB 4.01Å; Y244-H337 HydrophobicContact CE1-CB 4.44Å; D245-H337 IonicContact OD1-CD2 2.66Å; D245-H337 IonicContact OD1-CE1 3.34Å; D245-H337 IonicContact OD1-NE2 3.36Å; D245-H337 PolarHBondContact OD1-NE2 3.28Å; P333-H337 VanDerWaalsContact O-CB 3.29Å; P333-H337 WeakPolarHBondContact O-CB 3.23Å; P333-H337 PolarHBondContact O-N 3.27Å; M335-H337 VanDerWaalsContact C-N 3.34Å; M335-H337 PolarHBondContact O-N 2.96Å; H337-R340 PolarHBondContact CD2-NH2 3.26Å; H337-R340 PolarHBondContact NE2-NH2 3.39Å; H337-R340 VanDerWaalsContact NE2-NH2 3.11Å; H337-R340 PolarHBondContact O-N 3.17Å; H337-Q341 PolarHBondContact CE1-NE2 2.85Å; H337-Q341 VanDerWaalsContact CE1-NE2 3.26Å; H337-Q341 WeakPolarHBondContact O-CG 3.46Å; H337-Q341 PolarHBondContact O-N 3.31Å
338	Q	97.3	Very high	96.5	Very high	136 Å²	136	44.3 Å²	44.3	64%	0.636	22%	0.222	S	C	*	.	H	α-helix	trans	-64.6	-44.8	177	-63.1	-179.5	-11.3	0	0	111.7	M335 L336 R340 Q341 K342	M335-Q338 PolarHBondContact O-N 3.08Å; L336-Q338 VanDerWaalsContact C-N 3.32Å; L336-Q338 PolarHBondContact O-N 3.42Å; Q338-R340 PolarHBondContact O-N 2.88Å; Q338-Q341 PolarHBondContact O-N 2.95Å; Q338-K342 PolarHBondContact O-N 3.11Å
339	K	97.8	Very high	95.9	Very high	10 Å²	10	46.8 Å²	46.8	4%	0.043	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-40.3	178.2	-68.5	175.2	-177	-74.7	0	112.4	M335 L336 K342 L343 K425 D427 L430	M335-K339 PolarHBondContact O-N 2.94Å; L336-K339 HydrophobicContact CD2-CD 4.04Å; L336-K339 PolarHBondContact O-N 3Å; K339-K342 PolarHBondContact O-N 2.93Å; K339-L343 WeakPolarHBondContact O-CB 3.16Å; K339-L343 PolarHBondContact O-N 2.96Å; K339-K425 WeakPolarHBondContact CD-O 3.5Å; K339-K425 VanDerWaalsContact CE-O 3.26Å; K339-K425 WeakPolarHBondContact CE-O 3.32Å; K339-K425 PolarHBondContact NZ-O 3Å; K339-D427 IonicContact NZ-OD1 2.7Å; K339-D427 PolarHBondContact NZ-OD1 3.18Å; K339-D427 IonicContact NZ-OD2 3.87Å; K339-D427 PolarHBondContact NZ-OD2 2.95Å; K339-L430 HydrophobicContact CB-CD1 3.75Å; K339-L430 HydrophobicContact CD-CD1 4.12Å; K339-L430 HydrophobicContact CG-CD1 3.74Å
340	R	97.2	Very high	95.4	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-44.4	172	-178.6	-167.9	65.2	134.3	5.9	111.4	D245 L336 H337 Q338 A344 M356 P357 M363 F423	D245-R340 IonicContact OD1-NH2 3.62Å; D245-R340 PolarHBondContact OD1-NH2 3.49Å; D245-R340 IonicContact OD2-CZ 3.54Å; D245-R340 IonicContact OD2-NH1 3.1Å; D245-R340 PolarHBondContact OD2-NH1 2.81Å; D245-R340 IonicContact OD2-NH2 2.78Å; D245-R340 PolarHBondContact OD2-NH2 3.33Å; L336-R340 VanDerWaalsContact O-CB 3.3Å; L336-R340 WeakPolarHBondContact O-CB 3.2Å; L336-R340 PolarHBondContact O-N 2.86Å; H337-R340 PolarHBondContact CD2-NH2 3.26Å; H337-R340 PolarHBondContact NE2-NH2 3.39Å; H337-R340 VanDerWaalsContact NE2-NH2 3.11Å; H337-R340 PolarHBondContact O-N 3.17Å; Q338-R340 PolarHBondContact O-N 2.88Å; R340-A344 WeakPolarHBondContact O-CB 3.13Å; R340-A344 PolarHBondContact O-N 3.42Å; R340-M356 HydrophobicContact CG-CE 4.26Å; R340-P357 HydrophobicContact CG-CG 4Å; R340-P357 PolarHBondContact NH1-O 2.95Å; R340-M363 HydrophobicContact CG-CE 3.65Å; R340-F423 HydrophobicContact CB-CD1 4.19Å; R340-F423 HydrophobicContact CB-CD2 3.99Å; R340-F423 HydrophobicContact CB-CE1 4.2Å; R340-F423 HydrophobicContact CB-CE2 4.01Å; R340-F423 HydrophobicContact CB-CG 4.09Å; R340-F423 HydrophobicContact CB-CZ 4.12Å; R340-F423 HydrophobicContact CG-CD1 4.21Å; R340-F423 HydrophobicContact CG-CE1 3.96Å; R340-F423 HydrophobicContact CG-CZ 4.13Å
341	Q	96.7	Very high	94.8	Very high	99 Å²	99	44.3 Å²	44.3	46%	0.463	24%	0.241	S	C	.	.	H	α-helix	trans	-65.3	-44.5	175.7	-74	-175.1	-21.3	0	0	112.5	H337 Q338 A344 S345	H337-Q341 PolarHBondContact CE1-NE2 2.85Å; H337-Q341 VanDerWaalsContact CE1-NE2 3.26Å; H337-Q341 WeakPolarHBondContact O-CG 3.46Å; H337-Q341 PolarHBondContact O-N 3.31Å; Q338-Q341 PolarHBondContact O-N 2.95Å; Q341-A344 PolarHBondContact O-N 3.36Å; Q341-S345 PolarHBondContact O-N 3.04Å; Q341-S345 VanDerWaalsContact O-N 3.09Å
342	K	95.6	Very high	94.5	Very high	61 Å²	61	40 Å²	40	27%	0.265	22%	0.221	S	C	.	.	H	α-helix	trans	-56.5	-54.5	175.8	-174.8	175.8	-180	178	0	110.4	Q338 K339 A344 S345 C346 E431 E434	Q338-K342 PolarHBondContact O-N 3.11Å; K339-K342 PolarHBondContact O-N 2.93Å; K342-A344 PolarHBondContact O-N 2.87Å; K342-S345 WeakPolarHBondContact O-CB 3.24Å; K342-S345 PolarHBondContact O-N 3.01Å; K342-S345 VanDerWaalsContact O-N 3.07Å; K342-C346 PolarHBondContact O-N 2.96Å; K342-C346 PolarHBondContact O-SG 3.39Å; K342-E431 IonicContact NZ-OE1 2.72Å; K342-E431 PolarHBondContact NZ-OE1 3.32Å; K342-E434 WeakPolarHBondContact CE-OE2 3.43Å; K342-E434 IonicContact NZ-OE2 2.75Å
343	L	96.3	Very high	94.2	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-57.5	-45	179.3	-179.4	64.5	0	0	0	112.4	L58 K339 S345 C346 L347 M363 F421 F423	L58-L343 HydrophobicContact CD1-CD1 4.06Å; K339-L343 WeakPolarHBondContact O-CB 3.16Å; K339-L343 PolarHBondContact O-N 2.96Å; L343-S345 VanDerWaalsContact C-N 3.27Å; L343-S345 PolarHBondContact O-N 3.31Å; L343-C346 PolarHBondContact O-N 3.35Å; L343-L347 HydrophobicContact CD1-CD1 4.09Å; L343-L347 HydrophobicContact CD1-CG 4.09Å; L343-L347 HydrophobicContact CD2-CD1 4.39Å; L343-L347 HydrophobicContact CG-CD1 3.82Å; L343-L347 HydrophobicContact CG-CG 4.27Å; L343-L347 VanDerWaalsContact O-CG 3.29Å; L343-L347 WeakPolarHBondContact O-CG 3.45Å; L343-L347 PolarHBondContact O-N 3.11Å; L343-M363 HydrophobicContact CD2-SD 4.35Å; L343-M363 HydrophobicContact CG-SD 4.43Å; L343-F421 HydrophobicContact CD2-CB 3.76Å; L343-F421 HydrophobicContact CD2-CG 4.42Å; L343-F423 HydrophobicContact CB-CB 4.45Å; L343-F423 HydrophobicContact CD2-CB 3.82Å
344	A	96	Very high	94.1	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-38.3	177	0	0	0	0	0	112.8	R340 Q341 K342 R348 P354 M356 M363	R340-A344 WeakPolarHBondContact O-CB 3.13Å; R340-A344 PolarHBondContact O-N 3.42Å; Q341-A344 PolarHBondContact O-N 3.36Å; K342-A344 PolarHBondContact O-N 2.87Å; A344-R348 VanDerWaalsContact O-CG 3.3Å; A344-R348 WeakPolarHBondContact O-CG 3.27Å; A344-R348 PolarHBondContact O-N 3.12Å; A344-R348 VanDerWaalsContact O-N 3.1Å; A344-P354 HydrophobicContact CB-CB 4.49Å; A344-P354 HydrophobicContact CB-CG 4.13Å; A344-M356 HydrophobicContact CB-CE 4.17Å; A344-M356 HydrophobicContact CB-SD 3.53Å; A344-M356 VanDerWaalsContact CB-SD 3.53Å; A344-M363 HydrophobicContact CB-CE 3.84Å; A344-M363 HydrophobicContact CB-SD 4.14Å
345	S	93.6	Very high	94.1	Very high	79 Å²	79	41 Å²	41	55%	0.552	22%	0.215	S	C	*	.	H	α-helix	trans	-65.8	-47.1	175.7	-164.8	0	0	0	0	111.6	Q341 K342 L343 L347 R348 S349	Q341-S345 PolarHBondContact O-N 3.04Å; Q341-S345 VanDerWaalsContact O-N 3.09Å; K342-S345 WeakPolarHBondContact O-CB 3.24Å; K342-S345 PolarHBondContact O-N 3.01Å; K342-S345 VanDerWaalsContact O-N 3.07Å; L343-S345 VanDerWaalsContact C-N 3.27Å; L343-S345 PolarHBondContact O-N 3.31Å; S345-L347 VanDerWaalsContact C-N 3.33Å; S345-L347 PolarHBondContact O-N 3.32Å; S345-R348 PolarHBondContact O-N 3.49Å; S345-S349 PolarHBondContact O-N 3.2Å; S345-S349 VanDerWaalsContact O-N 3.07Å
346	C	92.4	Very high	94.1	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.054	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-40.1	178.2	-55.2	0	0	0	0	112.1	K342 L343 S349 E434 L437	K342-C346 PolarHBondContact O-N 2.96Å; K342-C346 PolarHBondContact O-SG 3.39Å; L343-C346 PolarHBondContact O-N 3.35Å; C346-S349 PolarHBondContact O-N 3.3Å; C346-S349 PolarHBondContact O-OG 2.77Å; C346-E434 HydrophobicContact CB-CG 4.4Å; C346-E434 VanDerWaalsContact SG-CG 3.59Å; C346-L437 HydrophobicContact CB-CD1 3.94Å
347	L	93.3	Very high	94.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-45.7	177	-67	169.6	0	0	0	111.7	L343 S345 S349 V350 L352 P354 M363 T365 F421 L437	L343-L347 HydrophobicContact CD1-CD1 4.09Å; L343-L347 HydrophobicContact CD1-CG 4.09Å; L343-L347 HydrophobicContact CD2-CD1 4.39Å; L343-L347 HydrophobicContact CG-CD1 3.82Å; L343-L347 HydrophobicContact CG-CG 4.27Å; L343-L347 VanDerWaalsContact O-CG 3.29Å; L343-L347 WeakPolarHBondContact O-CG 3.45Å; L343-L347 PolarHBondContact O-N 3.11Å; S345-L347 VanDerWaalsContact C-N 3.33Å; S345-L347 PolarHBondContact O-N 3.32Å; L347-S349 PolarHBondContact O-N 2.83Å; L347-V350 WeakPolarHBondContact O-CG2 3.48Å; L347-V350 PolarHBondContact O-N 3.24Å; L347-V350 VanDerWaalsContact O-N 3.1Å; L347-L352 HydrophobicContact CB-CB 4.29Å; L347-L352 HydrophobicContact CD2-CD1 3.75Å; L347-L352 WeakPolarHBondContact O-CB 3.45Å; L347-L352 PolarHBondContact O-N 3.41Å; L347-P354 HydrophobicContact CB-CB 4.46Å; L347-P354 HydrophobicContact CB-CG 4.2Å; L347-P354 HydrophobicContact CD1-CB 4.07Å; L347-M363 HydrophobicContact CD1-SD 3.91Å; L347-T365 HydrophobicContact CD1-CG2 4.41Å; L347-F421 HydrophobicContact CD1-CD2 4.07Å; L347-F421 HydrophobicContact CD1-CE2 4.14Å; L347-F421 HydrophobicContact CD1-CG 4.47Å; L347-F421 HydrophobicContact CD2-CD1 4.46Å; L347-F421 HydrophobicContact CD2-CD2 4.3Å; L347-F421 HydrophobicContact CD2-CE1 3.84Å; L347-F421 HydrophobicContact CD2-CE2 3.66Å; L347-F421 HydrophobicContact CD2-CZ 3.4Å; L347-F421 VanDerWaalsContact CD2-CZ 3.4Å; L347-L437 HydrophobicContact CD2-CD1 4.08Å; L347-L437 HydrophobicContact CD2-CD2 4.43Å
348	R	91.8	Very high	94.1	Very high	118 Å²	118	38.5 Å²	38.5	45%	0.445	20%	0.203	S	C	.	.	H	α-helix	trans	-60.2	-32.5	176.3	-72.7	172.2	-173.6	150.1	7.2	112.9	A344 S345 V350 G351 L352 P354	A344-R348 VanDerWaalsContact O-CG 3.3Å; A344-R348 WeakPolarHBondContact O-CG 3.27Å; A344-R348 PolarHBondContact O-N 3.12Å; A344-R348 VanDerWaalsContact O-N 3.1Å; S345-R348 PolarHBondContact O-N 3.49Å; R348-V350 PolarHBondContact O-N 2.77Å; R348-G351 PolarHBondContact O-N 3.28Å; R348-G351 VanDerWaalsContact O-N 3.12Å; R348-L352 WeakPolarHBondContact CA-O 3.45Å; R348-P354 HydrophobicContact CG-CG 3.82Å
349	S	86.4	Confident	94.2	Very high	72 Å²	72	32 Å²	32	50%	0.503	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.8	178.5	79.2	0	0	0	0	114.8	S345 C346 L347 S441	S345-S349 PolarHBondContact O-N 3.2Å; S345-S349 VanDerWaalsContact O-N 3.07Å; C346-S349 PolarHBondContact O-N 3.3Å; C346-S349 PolarHBondContact O-OG 2.77Å; L347-S349 PolarHBondContact O-N 2.83Å; S349-S441 WeakPolarHBondContact O-CB 3.48Å
350	V	85.5	Confident	94.2	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.097	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	19.2	173.2	-56.7	0	0	0	0	113.1	L347 R348 L352 L437	L347-V350 WeakPolarHBondContact O-CG2 3.48Å; L347-V350 PolarHBondContact O-N 3.24Å; L347-V350 VanDerWaalsContact O-N 3.1Å; R348-V350 PolarHBondContact O-N 2.77Å; V350-L352 HydrophobicContact CG2-CB 4.21Å; V350-L352 HydrophobicContact CG2-CD1 3.66Å; V350-L352 HydrophobicContact CG2-CG 3.82Å; V350-L352 PolarHBondContact O-N 3.22Å; V350-L437 VanDerWaalsContact CG1-C 3.5Å; V350-L437 HydrophobicContact CG1-CB 3.71Å; V350-L437 HydrophobicContact CG1-CD2 4.26Å; V350-L437 WeakPolarHBondContact CG1-O 3.29Å; V350-L437 HydrophobicContact CG2-CD2 3.85Å
351	G	86	Confident	94.3	Very high	35 Å²	35	31.5 Å²	31.5	36%	0.361	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-4.2	177.9	0	0	0	0	0	115.6	R348 Q353 S369	R348-G351 PolarHBondContact O-N 3.28Å; R348-G351 VanDerWaalsContact O-N 3.12Å; G351-Q353 PolarHBondContact O-NE2 3.11Å; G351-S369 PolarHBondContact O-OG 3.29Å
352	L	90.8	Very high	94.3	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.149	C	C	.	.			trans	-70.5	148.5	174.3	-70.7	173.1	0	0	0	111.6	L347 R348 V350 P354 T365 I367 V370	L347-L352 HydrophobicContact CB-CB 4.29Å; L347-L352 HydrophobicContact CD2-CD1 3.75Å; L347-L352 WeakPolarHBondContact O-CB 3.45Å; L347-L352 PolarHBondContact O-N 3.41Å; R348-L352 WeakPolarHBondContact CA-O 3.45Å; V350-L352 HydrophobicContact CG2-CB 4.21Å; V350-L352 HydrophobicContact CG2-CD1 3.66Å; V350-L352 HydrophobicContact CG2-CG 3.82Å; V350-L352 PolarHBondContact O-N 3.22Å; L352-P354 WeakPolarHBondContact O-CD 3.3Å; L352-T365 HydrophobicContact CB-CG2 3.62Å; L352-T365 HydrophobicContact CD1-CG2 4.24Å; L352-T365 HydrophobicContact CD2-CG2 4.16Å; L352-T365 HydrophobicContact CG-CG2 4.24Å; L352-I367 HydrophobicContact CD2-CB 4.26Å; L352-I367 HydrophobicContact CD2-CG2 3.67Å; L352-V370 HydrophobicContact CD2-CG2 3.55Å; L352-V370 HydrophobicContact CG-CG2 4.11Å
353	Q	93.1	Very high	94.5	Very high	95 Å²	95	24 Å²	24	44%	0.444	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	91.8	-177.2	-52.8	-58.6	-46.5	0	0	111	G351 D366	G351-Q353 PolarHBondContact O-NE2 3.11Å; Q353-D366 HydrophobicContact CB-CB 4.17Å; Q353-D366 PolarHBondContact N-O 3.35Å; Q353-D366 PolarHBondContact O-N 2.94Å
354	P	95.8	Very high	94.5	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.019	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	128.9	178.7	28.1	-33.7	0	0	0	111.8	A344 L347 R348 L352 M363	A344-P354 HydrophobicContact CB-CB 4.49Å; A344-P354 HydrophobicContact CB-CG 4.13Å; L347-P354 HydrophobicContact CB-CB 4.46Å; L347-P354 HydrophobicContact CB-CG 4.2Å; L347-P354 HydrophobicContact CD1-CB 4.07Å; R348-P354 HydrophobicContact CG-CG 3.82Å; L352-P354 WeakPolarHBondContact O-CD 3.3Å; P354-M363 HydrophobicContact CB-CG 4.07Å; P354-M363 HydrophobicContact CB-SD 3.55Å; P354-M363 VanDerWaalsContact CB-SD 3.55Å
355	V	96.7	Very high	94.6	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-80.2	117.3	168.8	179.4	0	0	0	0	107.6	V177 S179 L210 P357 I364 Y418	V177-V355 HydrophobicContact CG1-CG1 4.29Å; V177-V355 HydrophobicContact CG1-CG2 4.17Å; S179-V355 VanDerWaalsContact C-CG1 3.44Å; L210-V355 HydrophobicContact CD1-CG1 4.34Å; V355-P357 VanDerWaalsContact O-CD 3.27Å; V355-P357 WeakPolarHBondContact O-CD 3.44Å; V355-I364 HydrophobicContact CB-CD1 4.49Å; V355-I364 HydrophobicContact CB-CG1 3.8Å; V355-I364 HydrophobicContact CG1-CG1 4.41Å; V355-I364 HydrophobicContact CG2-CD1 4.27Å; V355-I364 HydrophobicContact CG2-CG1 3.93Å; V355-I364 PolarHBondContact N-O 3.25Å; V355-Y418 HydrophobicContact CG2-CE1 4.45Å
356	M	97.7	Very high	94.6	Very high	32 Å²	32	21.5 Å²	21.5	16%	0.158	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-69.4	118.5	-176.4	-64.8	-60.1	-56.3	0	0	110.7	L178 S179 S180 R340 A344 M363	L178-M356 VanDerWaalsContact O-CB 3.26Å; L178-M356 WeakPolarHBondContact O-CB 3.34Å; L178-M356 WeakPolarHBondContact O-CG 3.39Å; L178-M356 PolarHBondContact O-N 3.05Å; S179-M356 CarbonylContact C-O 3.52Å; S179-M356 WeakPolarHBondContact CA-O 3.25Å; S180-M356 PolarHBondContact N-O 3.2Å; S180-M356 PolarHBondContact OG-O 3Å; R340-M356 HydrophobicContact CG-CE 4.26Å; A344-M356 HydrophobicContact CB-CE 4.17Å; A344-M356 HydrophobicContact CB-SD 3.53Å; A344-M356 VanDerWaalsContact CB-SD 3.53Å; M356-M363 HydrophobicContact CE-CE 4.17Å; M356-M363 HydrophobicContact SD-CE 4.01Å
357	P	98.3	Very high	94.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-82	129.7	-178.5	31.4	-32.1	0	0	0	110.6	Y244 R340 V355 G359 F362 M363 F423	Y244-P357 WeakPolarHBondContact CD2-O 3.29Å; R340-P357 HydrophobicContact CG-CG 4Å; R340-P357 PolarHBondContact NH1-O 2.95Å; V355-P357 VanDerWaalsContact O-CD 3.27Å; V355-P357 WeakPolarHBondContact O-CD 3.44Å; P357-G359 PolarHBondContact O-N 3Å; P357-F362 WeakPolarHBondContact CB-O 3.22Å; P357-F362 WeakPolarHBondContact CG-O 3.4Å; P357-M363 VanDerWaalsContact CD-CE 3.5Å; P357-M363 HydrophobicContact CG-CB 4.2Å; P357-M363 HydrophobicContact CG-CE 4.2Å; P357-F423 HydrophobicContact CG-CE1 3.82Å; P357-F423 HydrophobicContact CG-CZ 4.39Å
358	E	98.4	Very high	94.6	Very high	31 Å²	31	24.7 Å²	24.7	15%	0.145	14%	0.139	C	C	.	.	S	Bend	trans	-72.1	-15.1	174.9	-71.9	167.7	136.3	0	0	112.5	S180 G181 G211 V213 T243 Y244 A247	S180-E358 PolarHBondContact OG-N 2.91Å; S180-E358 PolarHBondContact OG-OE2 3.23Å; G181-E358 WeakPolarHBondContact CA-OE2 3.37Å; G181-E358 PolarHBondContact N-OE2 2.95Å; G181-E358 VanDerWaalsContact N-OE2 3.13Å; G211-E358 CarbonylContact O-C 3.59Å; G211-E358 PolarHBondContact O-N 2.64Å; V213-E358 HydrophobicContact CB-CB 4.11Å; V213-E358 VanDerWaalsContact CG2-C 3.49Å; V213-E358 HydrophobicContact CG2-CB 3.71Å; V213-E358 WeakPolarHBondContact CG2-O 3.34Å; T243-E358 CarbonylContact C-O 3.56Å; T243-E358 WeakPolarHBondContact CA-O 3.46Å; Y244-E358 PolarHBondContact N-O 3.36Å; A247-E358 HydrophobicContact CB-CB 4.16Å
359	G	98.4	Very high	94.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-165.1	-176.4	176.4	0	0	0	0	0	115.1	G211 L242 P357	G211-G359 VanDerWaalsContact CA-O 3.25Å; G211-G359 WeakPolarHBondContact CA-O 3.36Å; G211-G359 PolarHBondContact O-N 3.09Å; L242-G359 CarbonylContact O-C 3.49Å; L242-G359 WeakPolarHBondContact O-CA 3.46Å; P357-G359 PolarHBondContact O-N 3Å
360	G	98.2	Very high	94.2	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.01	12%	0.119	C	C	.	.	S	Bend	trans	76.6	-160.2	178.2	0	0	0	0	0	114.8	L242 Y244 F423	L242-G360 PolarHBondContact O-N 2.86Å; Y244-G360 WeakPolarHBondContact CE2-O 3.4Å; Y244-G360 PolarHBondContact OH-O 3.13Å; G360-F423 WeakPolarHBondContact O-CZ 3.21Å
361	Y	98.3	Very high	94	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-102.9	-6.8	-175.7	-79	8.3	0	0	0	113.9	P63 Y239 L242 K270 L336 C422 F423 V424	P63-Y361 HydrophobicContact CG-CE2 4.47Å; Y239-Y361 HydrophobicContact CD1-CD1 4.01Å; Y239-Y361 HydrophobicContact CD1-CE1 4.43Å; Y239-Y361 HydrophobicContact CD1-CG 4.21Å; Y239-Y361 AromaticContact CE1-CD1 3.91Å; Y239-Y361 HydrophobicContact CE1-CD1 3.91Å; Y239-Y361 AromaticContact CE1-CD2 3.89Å; Y239-Y361 HydrophobicContact CE1-CD2 3.89Å; Y239-Y361 HydrophobicContact CE1-CE1 4.4Å; Y239-Y361 HydrophobicContact CE1-CE2 4.33Å; Y239-Y361 AromaticContact CE1-CG 3.66Å; Y239-Y361 HydrophobicContact CE1-CG 3.66Å; L242-Y361 HydrophobicContact CD1-CD1 3.68Å; L242-Y361 HydrophobicContact CD1-CE1 3.28Å; L242-Y361 HydrophobicContact CD2-CE1 4.07Å; L242-Y361 HydrophobicContact CG-CE1 4.3Å; K270-Y361 HydrophobicContact CD-CE2 3.92Å; K270-Y361 PolarHBondContact O-OH 3.01Å; L336-Y361 HydrophobicContact CD1-CD1 4.46Å; L336-Y361 HydrophobicContact CD1-CE1 4.23Å; Y361-C422 WeakPolarHBondContact O-CA 3.39Å; Y361-F423 VanDerWaalsContact C-CE1 3.41Å; Y361-F423 WeakPolarHBondContact O-CD1 3.41Å; Y361-F423 WeakPolarHBondContact O-CE1 3.35Å; Y361-F423 PolarHBondContact O-N 3.25Å; Y361-V424 HydrophobicContact CD1-CB 4.32Å; Y361-V424 HydrophobicContact CD1-CG1 4.46Å; Y361-V424 HydrophobicContact CD1-CG2 3.38Å; Y361-V424 HydrophobicContact CD2-CB 4.15Å; Y361-V424 HydrophobicContact CD2-CG1 4.34Å; Y361-V424 HydrophobicContact CD2-CG2 3.97Å; Y361-V424 HydrophobicContact CE1-CG1 4.16Å; Y361-V424 HydrophobicContact CE1-CG2 3.85Å; Y361-V424 HydrophobicContact CE2-CB 4.4Å; Y361-V424 HydrophobicContact CE2-CG1 4.09Å; Y361-V424 HydrophobicContact CE2-CG2 4.43Å; Y361-V424 HydrophobicContact CG-CB 4.11Å; Y361-V424 HydrophobicContact CG-CG2 3.41Å; Y361-V424 VanDerWaalsContact CG-CG2 3.41Å
362	F	98.5	Very high	94	Very high	3 Å²	3	25 Å²	25	1%	0.013	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.7	-157.4	-55.6	-62	0	0	0	113	N208 P209 Y239 P357 R420 F421 C422	N208-F362 HydrophobicContact CB-CD2 3.81Å; N208-F362 HydrophobicContact CB-CE2 3.81Å; N208-F362 WeakPolarHBondContact OD1-CD2 3.46Å; N208-F362 WeakPolarHBondContact OD1-CE2 3.5Å; P209-F362 WeakPolarHBondContact O-CB 3.31Å; Y239-F362 HydrophobicContact CE1-CE2 4.48Å; Y239-F362 HydrophobicContact CE2-CE2 4.34Å; Y239-F362 AromaticContact CZ-CE2 3.81Å; Y239-F362 VanDerWaalsContact OH-CE2 3.3Å; Y239-F362 WeakPolarHBondContact OH-CE2 3.47Å; P357-F362 WeakPolarHBondContact CB-O 3.22Å; P357-F362 WeakPolarHBondContact CG-O 3.4Å; F362-R420 HydrophobicContact CB-CG 3.85Å; F362-R420 HydrophobicContact CD1-CG 4.24Å; F362-R420 VanDerWaalsContact CE1-CZ 3.41Å; F362-R420 HydrophobicContact CG-CG 4.21Å; F362-F421 VanDerWaalsContact CA-O 3.24Å; F362-F421 WeakPolarHBondContact CA-O 3.41Å; F362-C422 HydrophobicContact CD1-CB 3.96Å; F362-C422 HydrophobicContact CE1-CB 3.94Å
363	M	98.1	Very high	93.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.6	174.7	177.4	174.1	-76.7	0	0	107.4	R340 L343 A344 L347 P354 M356 P357 F421 F423	R340-M363 HydrophobicContact CG-CE 3.65Å; L343-M363 HydrophobicContact CD2-SD 4.35Å; L343-M363 HydrophobicContact CG-SD 4.43Å; A344-M363 HydrophobicContact CB-CE 3.84Å; A344-M363 HydrophobicContact CB-SD 4.14Å; L347-M363 HydrophobicContact CD1-SD 3.91Å; P354-M363 HydrophobicContact CB-CG 4.07Å; P354-M363 HydrophobicContact CB-SD 3.55Å; P354-M363 VanDerWaalsContact CB-SD 3.55Å; M356-M363 HydrophobicContact CE-CE 4.17Å; M356-M363 HydrophobicContact SD-CE 4.01Å; P357-M363 VanDerWaalsContact CD-CE 3.5Å; P357-M363 HydrophobicContact CG-CB 4.2Å; P357-M363 HydrophobicContact CG-CE 4.2Å; M363-F421 PolarHBondContact N-O 3.29Å; M363-F421 PolarHBondContact O-N 3.21Å; M363-F423 HydrophobicContact CB-CD1 4.24Å; M363-F423 HydrophobicContact CB-CE1 4.45Å
364	I	98	Very high	93.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	150.1	166.4	70.3	169	0	0	0	109.7	W183 P209 L210 V355 V403 Y418 I419 R420	W183-I364 HydrophobicContact CH2-CD1 4.45Å; W183-I364 HydrophobicContact CZ2-CD1 3.88Å; P209-I364 HydrophobicContact CB-CG2 4.06Å; P209-I364 HydrophobicContact CG-CG2 4.41Å; P209-I364 WeakPolarHBondContact O-CG2 3.42Å; L210-I364 HydrophobicContact CD1-CD1 3.43Å; L210-I364 VanDerWaalsContact CD1-CD1 3.43Å; L210-I364 HydrophobicContact CD1-CG1 3.96Å; V355-I364 HydrophobicContact CB-CD1 4.49Å; V355-I364 HydrophobicContact CB-CG1 3.8Å; V355-I364 HydrophobicContact CG1-CG1 4.41Å; V355-I364 HydrophobicContact CG2-CD1 4.27Å; V355-I364 HydrophobicContact CG2-CG1 3.93Å; V355-I364 PolarHBondContact N-O 3.25Å; I364-V403 HydrophobicContact CB-CG2 4.24Å; I364-V403 HydrophobicContact CG2-CG2 3.72Å; I364-Y418 HydrophobicContact CD1-CD1 3.91Å; I364-Y418 HydrophobicContact CD1-CE1 4.36Å; I364-Y418 HydrophobicContact CD1-CG 4.3Å; I364-Y418 HydrophobicContact CG1-CD1 4.37Å; I364-I419 CarbonylContact C-O 3.15Å; I364-I419 WeakPolarHBondContact CA-O 3.25Å; I364-R420 HydrophobicContact CG2-CB 4.44Å; I364-R420 HydrophobicContact CG2-CG 4.37Å
365	T	96.8	Very high	92.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	124.9	-175.3	-59.6	0	0	0	0	108.5	L347 L352 Y418 I419 F421	L347-T365 HydrophobicContact CD1-CG2 4.41Å; L352-T365 HydrophobicContact CB-CG2 3.62Å; L352-T365 HydrophobicContact CD1-CG2 4.24Å; L352-T365 HydrophobicContact CD2-CG2 4.16Å; L352-T365 HydrophobicContact CG-CG2 4.24Å; T365-Y418 WeakPolarHBondContact O-CA 3.35Å; T365-I419 PolarHBondContact N-O 3.36Å; T365-I419 PolarHBondContact O-N 3.43Å; T365-F421 HydrophobicContact CG2-CE2 4.26Å; T365-F421 WeakPolarHBondContact OG1-CD2 3.34Å
366	D	95.1	Very high	92.2	Very high	33 Å²	33	34.8 Å²	34.8	18%	0.176	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129	174.4	-169.4	-29.2	0	0	0	109.1	Q353 S368 K417 Y418	Q353-D366 HydrophobicContact CB-CB 4.17Å; Q353-D366 PolarHBondContact N-O 3.35Å; Q353-D366 PolarHBondContact O-N 2.94Å; D366-S368 WeakPolarHBondContact OD1-CB 3.36Å; D366-S368 PolarHBondContact OD1-N 3.44Å; D366-S368 PolarHBondContact OD1-OG 3.22Å; D366-K417 WeakPolarHBondContact CA-O 3.33Å; D366-Y418 HydrophobicContact CB-CD1 3.98Å; D366-Y418 HydrophobicContact CB-CE1 3.64Å
367	I	94.4	Very high	91.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.			trans	-107.2	4.9	-178.5	57.1	163.1	0	0	0	112.6	L352 S369 V370 Y384 D385 F388 K417 I419	L352-I367 HydrophobicContact CD2-CB 4.26Å; L352-I367 HydrophobicContact CD2-CG2 3.67Å; I367-S369 VanDerWaalsContact C-N 3.26Å; I367-S369 PolarHBondContact O-N 2.96Å; I367-V370 PolarHBondContact O-N 3Å; I367-V370 VanDerWaalsContact O-N 3.14Å; I367-Y384 HydrophobicContact CD1-CD1 3.72Å; I367-Y384 HydrophobicContact CD1-CE1 3.64Å; I367-Y384 HydrophobicContact CG1-CD1 4.43Å; I367-Y384 HydrophobicContact CG1-CE1 4.18Å; I367-D385 HydrophobicContact CD1-CB 4.29Å; I367-F388 HydrophobicContact CB-CD2 4.44Å; I367-F388 HydrophobicContact CB-CE1 4.29Å; I367-F388 HydrophobicContact CB-CE2 4.07Å; I367-F388 HydrophobicContact CB-CZ 3.97Å; I367-F388 HydrophobicContact CD1-CB 3.68Å; I367-F388 HydrophobicContact CD1-CD1 3.85Å; I367-F388 HydrophobicContact CD1-CD2 3.76Å; I367-F388 HydrophobicContact CD1-CE1 4.36Å; I367-F388 HydrophobicContact CD1-CE2 4.26Å; I367-F388 HydrophobicContact CD1-CG 3.5Å; I367-F388 HydrophobicContact CG2-CD1 4.18Å; I367-F388 HydrophobicContact CG2-CE1 3.68Å; I367-F388 HydrophobicContact CG2-CE2 4.33Å; I367-F388 HydrophobicContact CG2-CZ 3.73Å; I367-K417 WeakPolarHBondContact CG1-O 3.35Å; I367-K417 PolarHBondContact N-O 3.41Å; I367-I419 HydrophobicContact CD1-CG2 4.05Å; I367-I419 HydrophobicContact CG2-CD1 3.77Å; I367-I419 HydrophobicContact CG2-CG1 3.73Å; I367-I419 HydrophobicContact CG2-CG2 4.18Å
368	S	90.9	Very high	90.9	Very high	74 Å²	74	44.1 Å²	44.1	52%	0.517	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.1	-177.5	61.2	0	0	0	0	114.5	D366 V370	D366-S368 WeakPolarHBondContact OD1-CB 3.36Å; D366-S368 PolarHBondContact OD1-N 3.44Å; D366-S368 PolarHBondContact OD1-OG 3.22Å; S368-V370 VanDerWaalsContact C-N 3.3Å
369	S	86.8	Confident	90.4	Very high	66 Å²	66	43 Å²	43	46%	0.462	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.8	175.9	51.9	0	0	0	0	114.2	G351 I367	G351-S369 PolarHBondContact O-OG 3.29Å; I367-S369 VanDerWaalsContact C-N 3.26Å; I367-S369 PolarHBondContact O-N 2.96Å
370	V	83.3	Confident	89.8	Confident	10 Å²	10	48 Å²	48	6%	0.061	27%	0.267	C	S	.	.			trans	-101	113.4	-170.4	174.9	0	0	0	0	110.4	L352 I367 S368 V372 Y384 F388 W440	L352-V370 HydrophobicContact CD2-CG2 3.55Å; L352-V370 HydrophobicContact CG-CG2 4.11Å; I367-V370 PolarHBondContact O-N 3Å; I367-V370 VanDerWaalsContact O-N 3.14Å; S368-V370 VanDerWaalsContact C-N 3.3Å; V370-V372 HydrophobicContact CG1-CG1 3.77Å; V370-Y384 PolarHBondContact O-OH 3.48Å; V370-F388 HydrophobicContact CB-CE2 4.11Å; V370-F388 HydrophobicContact CB-CZ 4.4Å; V370-F388 HydrophobicContact CG1-CE2 3.72Å; V370-F388 HydrophobicContact CG1-CZ 4.03Å; V370-W440 HydrophobicContact CG1-CH2 3.92Å; V370-W440 HydrophobicContact CG1-CZ2 3.46Å; V370-W440 VanDerWaalsContact CG1-CZ2 3.46Å
371	N	81.2	Confident	89.3	Confident	155 Å²	155	55.4 Å²	55.4	83%	0.829	31%	0.306	S	S	*	.			trans	-98	95.8	-178.9	-171.5	31.1	0	0	0	111.2
372	V	85.4	Confident	89	Confident	18 Å²	18	58.2 Å²	58.2	11%	0.109	32%	0.32	C	S	.	.			trans	-116.8	146.2	179.6	-70.8	0	0	0	0	111.3	V370 L374 F388 W391 W440	V370-V372 HydrophobicContact CG1-CG1 3.77Å; V372-L374 HydrophobicContact CG2-CD1 4.41Å; V372-L374 HydrophobicContact CG2-CD2 3.83Å; V372-L374 HydrophobicContact CG2-CG 4.03Å; V372-L374 PolarHBondContact O-N 3.13Å; V372-F388 HydrophobicContact CG2-CD2 3.67Å; V372-F388 HydrophobicContact CG2-CE2 3.73Å; V372-W391 HydrophobicContact CB-CD2 4.44Å; V372-W391 HydrophobicContact CB-CH2 4.08Å; V372-W391 HydrophobicContact CB-CZ2 3.88Å; V372-W391 HydrophobicContact CB-CZ3 4.44Å; V372-W391 HydrophobicContact CG1-CH2 3.35Å; V372-W391 HydrophobicContact CG1-CZ2 3.52Å; V372-W391 HydrophobicContact CG1-CZ3 3.92Å; V372-W391 HydrophobicContact CG2-CD2 4.45Å; V372-W391 HydrophobicContact CG2-CE3 4.38Å; V372-W391 HydrophobicContact CG2-CZ3 4.45Å; V372-W440 HydrophobicContact CG1-CZ2 3.92Å
373	D	85.4	Confident	88.8	Confident	108 Å²	108	59.4 Å²	59.4	58%	0.578	33%	0.328	S	S	*	.			trans	-71.2	117.4	172.6	-170.7	-17.6	0	0	0	109.9	N375	D373-N375 VanDerWaalsContact CG-ND2 3.3Å; D373-N375 WeakPolarHBondContact OD1-CB 3.43Å; D373-N375 PolarHBondContact OD1-N 3.29Å; D373-N375 PolarHBondContact OD1-ND2 2.88Å; D373-N375 PolarHBondContact OD2-ND2 3.22Å; D373-N375 VanDerWaalsContact OD2-ND2 3.13Å
374	L	88.8	Confident	88.6	Confident	15 Å²	15	61.5 Å²	61.5	8%	0.079	34%	0.337	C	S	.	.			trans	-114.9	27	178.2	-58.3	-180	0	0	0	112.4	V372 D376 Y384 R387 F388 W391	V372-L374 HydrophobicContact CG2-CD1 4.41Å; V372-L374 HydrophobicContact CG2-CD2 3.83Å; V372-L374 HydrophobicContact CG2-CG 4.03Å; V372-L374 PolarHBondContact O-N 3.13Å; L374-D376 PolarHBondContact O-N 2.81Å; L374-Y384 HydrophobicContact CD1-CD2 3.97Å; L374-Y384 HydrophobicContact CD1-CE2 3.55Å; L374-R387 HydrophobicContact CB-CB 4.48Å; L374-R387 HydrophobicContact CD1-CB 4.07Å; L374-R387 PolarHBondContact O-NH2 3.48Å; L374-F388 HydrophobicContact CD1-CB 4.31Å; L374-W391 HydrophobicContact CD2-CB 3.51Å; L374-W391 HydrophobicContact CD2-CD2 4.31Å; L374-W391 HydrophobicContact CD2-CG 3.68Å
375	N	80.4	Confident	88.6	Confident	127 Å²	127	61.5 Å²	61.5	68%	0.679	34%	0.336	S	S	*	.			trans	-67.7	24.8	-175.9	-72.2	-36.3	0	0	0	115.6	D373 E377	D373-N375 VanDerWaalsContact CG-ND2 3.3Å; D373-N375 WeakPolarHBondContact OD1-CB 3.43Å; D373-N375 PolarHBondContact OD1-N 3.29Å; D373-N375 PolarHBondContact OD1-ND2 2.88Å; D373-N375 PolarHBondContact OD2-ND2 3.22Å; D373-N375 VanDerWaalsContact OD2-ND2 3.13Å; N375-E377 PolarHBondContact O-N 2.95Å
376	D	84.1	Confident	88.5	Confident	57 Å²	57	63 Å²	63	31%	0.305	34%	0.343	S	S	.	.			trans	-71.7	95.9	171	-173.8	-16.3	0	0	0	110.2	L374 S378 T379 K394	L374-D376 PolarHBondContact O-N 2.81Å; D376-S378 PolarHBondContact O-N 2.69Å; D376-S378 WeakPolarHBondContact OD1-CB 3.35Å; D376-S378 PolarHBondContact OD1-N 3.3Å; D376-S378 PolarHBondContact OD1-OG 3.12Å; D376-S378 PolarHBondContact OD2-OG 2.79Å; D376-T379 HydrophobicContact CB-CG2 4.44Å; D376-T379 PolarHBondContact O-N 3.06Å; D376-T379 PolarHBondContact O-OG1 3.38Å; D376-K394 IonicContact OD2-NZ 3.3Å; D376-K394 PolarHBondContact OD2-NZ 2.85Å
377	E	84	Confident	88.6	Confident	131 Å²	131	64.2 Å²	64.2	61%	0.612	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-50	-27.5	177.4	-85.3	-72.1	128.7	0	0	114.1	N375 T379 K380	N375-E377 PolarHBondContact O-N 2.95Å; E377-T379 PolarHBondContact O-N 3.07Å; E377-K380 WeakPolarHBondContact O-CG 3.43Å; E377-K380 WeakPolarHBondContact OE2-CD 2.96Å; E377-K380 WeakPolarHBondContact OE2-CE 3.34Å; E377-K380 IonicContact OE2-NZ 3.52Å; E377-K380 PolarHBondContact OE2-NZ 2.85Å
378	S	85	Confident	88.6	Confident	97 Å²	97	64.2 Å²	64.2	68%	0.678	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-69.1	-21.3	177.5	74.2	0	0	0	0	113.1	D376	D376-S378 PolarHBondContact O-N 2.69Å; D376-S378 WeakPolarHBondContact OD1-CB 3.35Å; D376-S378 PolarHBondContact OD1-N 3.3Å; D376-S378 PolarHBondContact OD1-OG 3.12Å; D376-S378 PolarHBondContact OD2-OG 2.79Å
379	T	86.5	Confident	88.9	Confident	6 Å²	6	60.7 Å²	60.7	4%	0.037	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-110.7	3.1	-175.5	68.1	0	0	0	0	113.7	D376 E377 N381 E382 R387 K390	D376-T379 HydrophobicContact CB-CG2 4.44Å; D376-T379 PolarHBondContact O-N 3.06Å; D376-T379 PolarHBondContact O-OG1 3.38Å; E377-T379 PolarHBondContact O-N 3.07Å; T379-N381 PolarHBondContact O-N 2.99Å; T379-E382 VanDerWaalsContact O-CB 3.3Å; T379-E382 WeakPolarHBondContact O-CB 3.35Å; T379-E382 PolarHBondContact O-N 3.22Å; T379-R387 WeakPolarHBondContact O-CD 3.47Å; T379-R387 WeakPolarHBondContact O-CG 3.3Å; T379-K390 HydrophobicContact CG2-CD 3.81Å
380	K	85.9	Confident	89.3	Confident	106 Å²	106	58.5 Å²	58.5	46%	0.461	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.7	-168.7	70.3	-175.8	170.7	-169.6	0	116.1	E377	E377-K380 WeakPolarHBondContact O-CG 3.43Å; E377-K380 WeakPolarHBondContact OE2-CD 2.96Å; E377-K380 WeakPolarHBondContact OE2-CE 3.34Å; E377-K380 IonicContact OE2-NZ 3.52Å; E377-K380 PolarHBondContact OE2-NZ 2.85Å
381	N	88.3	Confident	89.9	Confident	156 Å²	156	60 Å²	60	83%	0.834	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.9	178.5	-65	-25	0	0	0	113.1	T379	T379-N381 PolarHBondContact O-N 2.99Å
382	E	92.4	Very high	90.5	Very high	60 Å²	60	52.8 Å²	52.8	28%	0.28	27%	0.269	S	S	.	.	S	Bend	trans	-85.8	159	177.3	-59.8	174.5	-159.5	0	0	111.1	T379 F386 R387 K390	T379-E382 VanDerWaalsContact O-CB 3.3Å; T379-E382 WeakPolarHBondContact O-CB 3.35Å; T379-E382 PolarHBondContact O-N 3.22Å; E382-F386 HydrophobicContact CB-CB 3.97Å; E382-R387 HydrophobicContact CB-CG 4.06Å; E382-K390 IonicContact OE1-NZ 2.77Å; E382-K390 PolarHBondContact OE1-NZ 3.19Å; E382-K390 WeakPolarHBondContact OE2-CD 3.29Å; E382-K390 VanDerWaalsContact OE2-CE 3.31Å; E382-K390 WeakPolarHBondContact OE2-CE 3.22Å; E382-K390 IonicContact OE2-NZ 2.87Å; E382-K390 PolarHBondContact OE2-NZ 3.39Å
383	S	93.8	Very high	91	Very high	28 Å²	28	52 Å²	52	20%	0.196	26%	0.264	C	S	.	.			trans	-62.9	156.5	173.5	57.3	0	0	0	0	111.3	D385 F386 R387 S404	S383-D385 VanDerWaalsContact C-N 3.34Å; S383-D385 VanDerWaalsContact CB-OD1 3.27Å; S383-D385 WeakPolarHBondContact CB-OD1 3.25Å; S383-D385 PolarHBondContact O-N 3.2Å; S383-D385 PolarHBondContact OG-OD1 2.66Å; S383-F386 PolarHBondContact O-N 2.97Å; S383-F386 WeakPolarHBondContact OG-CD2 3.29Å; S383-R387 WeakPolarHBondContact O-CG 3.41Å; S383-R387 PolarHBondContact O-N 2.7Å; S383-S404 PolarHBondContact OG-OG 3.43Å; S383-S404 VanDerWaalsContact OG-OG 3.05Å
384	Y	95.2	Very high	91.4	Very high	44 Å²	44	49.7 Å²	49.7	17%	0.173	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-40.7	-170.5	179.1	-90.8	0	0	0	112.9	I367 V370 L374 R387 F388 D416 K417	I367-Y384 HydrophobicContact CD1-CD1 3.72Å; I367-Y384 HydrophobicContact CD1-CE1 3.64Å; I367-Y384 HydrophobicContact CG1-CD1 4.43Å; I367-Y384 HydrophobicContact CG1-CE1 4.18Å; V370-Y384 PolarHBondContact O-OH 3.48Å; L374-Y384 HydrophobicContact CD1-CD2 3.97Å; L374-Y384 HydrophobicContact CD1-CE2 3.55Å; Y384-R387 PolarHBondContact O-N 2.81Å; Y384-F388 HydrophobicContact CE1-CD2 4.29Å; Y384-F388 WeakPolarHBondContact O-CB 3.43Å; Y384-F388 PolarHBondContact O-N 3.45Å; Y384-D416 WeakPolarHBondContact CB-OD2 3.46Å; Y384-D416 PolarHBondContact N-OD2 3.22Å; Y384-D416 VanDerWaalsContact N-OD2 3.08Å; Y384-K417 HydrophobicContact CD1-CD 3.54Å; Y384-K417 VanDerWaalsContact CD2-NZ 3.27Å; Y384-K417 HydrophobicContact CE1-CD 3.98Å; Y384-K417 VanDerWaalsContact CE1-NZ 3.32Å; Y384-K417 HydrophobicContact CG-CD 4.13Å
385	D	96.4	Very high	91.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-40.9	173.8	60.4	-18.1	0	0	0	113.4	I367 S383 R387 F388 V389 P402 V403 S404 D416 Y418 I419	I367-D385 HydrophobicContact CD1-CB 4.29Å; S383-D385 VanDerWaalsContact C-N 3.34Å; S383-D385 VanDerWaalsContact CB-OD1 3.27Å; S383-D385 WeakPolarHBondContact CB-OD1 3.25Å; S383-D385 PolarHBondContact O-N 3.2Å; S383-D385 PolarHBondContact OG-OD1 2.66Å; D385-R387 VanDerWaalsContact C-N 3.35Å; D385-R387 PolarHBondContact O-N 3.44Å; D385-F388 PolarHBondContact O-N 3.47Å; D385-V389 VanDerWaalsContact O-CG2 3.3Å; D385-V389 WeakPolarHBondContact O-CG2 3.28Å; D385-V389 PolarHBondContact O-N 3.36Å; D385-P402 HydrophobicContact CB-CB 3.96Å; D385-P402 VanDerWaalsContact OD2-CB 3.27Å; D385-P402 WeakPolarHBondContact OD2-CB 3.45Å; D385-V403 PolarHBondContact OD2-N 2.86Å; D385-S404 PolarHBondContact OD1-OG 2.85Å; D385-S404 VanDerWaalsContact OD2-CB 3.23Å; D385-S404 WeakPolarHBondContact OD2-CB 3.46Å; D385-S404 PolarHBondContact OD2-N 2.87Å; D385-S404 PolarHBondContact OD2-OG 2.57Å; D385-D416 WeakPolarHBondContact CB-O 3.24Å; D385-D416 PolarHBondContact N-O 2.64Å; D385-Y418 WeakPolarHBondContact CB-O 3.35Å; D385-I419 HydrophobicContact CB-CG2 4.12Å
386	F	96.3	Very high	92.3	Very high	33 Å²	33	51.8 Å²	51.8	15%	0.145	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-48.3	173.9	-94.3	-112.4	0	0	0	111.2	V42 F46 E382 S383 F388 V389 K390 P402 S404 A405	V42-F386 HydrophobicContact CG2-CE1 4.42Å; V42-F386 HydrophobicContact CG2-CZ 4.04Å; F46-F386 AromaticContact CE2-CD1 3.79Å; F46-F386 HydrophobicContact CE2-CD1 3.79Å; F46-F386 AromaticContact CE2-CE1 3.64Å; F46-F386 HydrophobicContact CE2-CE1 3.64Å; F46-F386 HydrophobicContact CE2-CZ 4.27Å; F46-F386 AromaticContact CZ-CD1 3.78Å; F46-F386 HydrophobicContact CZ-CD1 3.78Å; F46-F386 HydrophobicContact CZ-CE1 4.14Å; F46-F386 HydrophobicContact CZ-CG 4.26Å; E382-F386 HydrophobicContact CB-CB 3.97Å; S383-F386 PolarHBondContact O-N 2.97Å; S383-F386 WeakPolarHBondContact OG-CD2 3.29Å; F386-F388 VanDerWaalsContact C-N 3.34Å; F386-F388 PolarHBondContact O-N 2.96Å; F386-V389 PolarHBondContact O-N 3.13Å; F386-K390 WeakPolarHBondContact O-CB 3.18Å; F386-K390 WeakPolarHBondContact O-CG 3.22Å; F386-K390 PolarHBondContact O-N 3.31Å; F386-P402 HydrophobicContact CD1-CG 4.23Å; F386-P402 HydrophobicContact CD2-CB 3.36Å; F386-P402 HydrophobicContact CD2-CG 3.33Å; F386-P402 HydrophobicContact CE1-CG 4.21Å; F386-P402 HydrophobicContact CE2-CB 3.7Å; F386-P402 HydrophobicContact CE2-CG 3.34Å; F386-P402 HydrophobicContact CG-CB 4.07Å; F386-P402 HydrophobicContact CG-CG 3.82Å; F386-P402 HydrophobicContact CZ-CG 3.79Å; F386-S404 WeakPolarHBondContact CD2-OG 3.36Å; F386-S404 WeakPolarHBondContact CE2-OG 3.37Å; F386-A405 HydrophobicContact CE2-CB 3.98Å; F386-A405 HydrophobicContact CZ-CB 4.05Å
387	R	95.6	Very high	92.8	Very high	57 Å²	57	50 Å²	50	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-43.8	177	-63.1	172.8	62.6	-174.6	-3.6	111.3	L374 T379 E382 S383 Y384 D385 K390 W391	L374-R387 HydrophobicContact CB-CB 4.48Å; L374-R387 HydrophobicContact CD1-CB 4.07Å; L374-R387 PolarHBondContact O-NH2 3.48Å; T379-R387 WeakPolarHBondContact O-CD 3.47Å; T379-R387 WeakPolarHBondContact O-CG 3.3Å; E382-R387 HydrophobicContact CB-CG 4.06Å; S383-R387 WeakPolarHBondContact O-CG 3.41Å; S383-R387 PolarHBondContact O-N 2.7Å; Y384-R387 PolarHBondContact O-N 2.81Å; D385-R387 VanDerWaalsContact C-N 3.35Å; D385-R387 PolarHBondContact O-N 3.44Å; R387-K390 PolarHBondContact O-N 3Å; R387-W391 WeakPolarHBondContact O-CB 3.45Å; R387-W391 PolarHBondContact O-N 2.7Å
388	F	95.6	Very high	93.4	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-45.1	177.8	-172.5	-81.9	0	0	0	112.7	I367 V370 V372 L374 Y384 D385 F386 W391 L392 I419 W440	I367-F388 HydrophobicContact CB-CD2 4.44Å; I367-F388 HydrophobicContact CB-CE1 4.29Å; I367-F388 HydrophobicContact CB-CE2 4.07Å; I367-F388 HydrophobicContact CB-CZ 3.97Å; I367-F388 HydrophobicContact CD1-CB 3.68Å; I367-F388 HydrophobicContact CD1-CD1 3.85Å; I367-F388 HydrophobicContact CD1-CD2 3.76Å; I367-F388 HydrophobicContact CD1-CE1 4.36Å; I367-F388 HydrophobicContact CD1-CE2 4.26Å; I367-F388 HydrophobicContact CD1-CG 3.5Å; I367-F388 HydrophobicContact CG2-CD1 4.18Å; I367-F388 HydrophobicContact CG2-CE1 3.68Å; I367-F388 HydrophobicContact CG2-CE2 4.33Å; I367-F388 HydrophobicContact CG2-CZ 3.73Å; V370-F388 HydrophobicContact CB-CE2 4.11Å; V370-F388 HydrophobicContact CB-CZ 4.4Å; V370-F388 HydrophobicContact CG1-CE2 3.72Å; V370-F388 HydrophobicContact CG1-CZ 4.03Å; V372-F388 HydrophobicContact CG2-CD2 3.67Å; V372-F388 HydrophobicContact CG2-CE2 3.73Å; L374-F388 HydrophobicContact CD1-CB 4.31Å; Y384-F388 HydrophobicContact CE1-CD2 4.29Å; Y384-F388 WeakPolarHBondContact O-CB 3.43Å; Y384-F388 PolarHBondContact O-N 3.45Å; D385-F388 PolarHBondContact O-N 3.47Å; F386-F388 VanDerWaalsContact C-N 3.34Å; F386-F388 PolarHBondContact O-N 2.96Å; F388-W391 PolarHBondContact O-N 2.97Å; F388-L392 VanDerWaalsContact O-CB 3.31Å; F388-L392 WeakPolarHBondContact O-CB 3.44Å; F388-L392 PolarHBondContact O-N 3.11Å; F388-I419 HydrophobicContact CD1-CD1 4.21Å; F388-I419 HydrophobicContact CD1-CG2 4.31Å; F388-I419 HydrophobicContact CE1-CD1 3.83Å; F388-W440 HydrophobicContact CE1-CH2 4.48Å; F388-W440 AromaticContact CZ-CH2 3.81Å; F388-W440 HydrophobicContact CZ-CH2 3.81Å
389	V	96.3	Very high	94	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-39.4	178.4	176.6	0	0	0	0	110.9	F46 D385 F386 L392 I393 T400 P402 I419	F46-V389 HydrophobicContact CD1-CG1 3.67Å; F46-V389 HydrophobicContact CE1-CB 3.85Å; F46-V389 HydrophobicContact CE1-CG1 3.42Å; F46-V389 VanDerWaalsContact CE1-CG1 3.42Å; F46-V389 HydrophobicContact CZ-CB 4.46Å; F46-V389 HydrophobicContact CZ-CG1 4.36Å; D385-V389 VanDerWaalsContact O-CG2 3.3Å; D385-V389 WeakPolarHBondContact O-CG2 3.28Å; D385-V389 PolarHBondContact O-N 3.36Å; F386-V389 PolarHBondContact O-N 3.13Å; V389-L392 PolarHBondContact O-N 3.25Å; V389-I393 HydrophobicContact CG1-CD1 3.92Å; V389-I393 WeakPolarHBondContact O-CG1 3.46Å; V389-I393 PolarHBondContact O-N 3.13Å; V389-T400 WeakPolarHBondContact CG1-O 3.1Å; V389-T400 WeakPolarHBondContact CG1-OG1 3.19Å; V389-T400 WeakPolarHBondContact CG2-OG1 3.47Å; V389-P402 HydrophobicContact CG2-CB 4.34Å; V389-I419 HydrophobicContact CG2-CB 4.15Å; V389-I419 HydrophobicContact CG2-CG2 3.49Å; V389-I419 VanDerWaalsContact CG2-CG2 3.49Å
390	K	95.7	Very high	94.5	Very high	19 Å²	19	39 Å²	39	8%	0.083	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-47.6	172.9	-73.8	177.7	176.2	179.9	0	111.4	E45 F46 L49 T379 E382 F386 R387 I393 K394	E45-K390 WeakPolarHBondContact OE1-CE 3.44Å; E45-K390 IonicContact OE1-NZ 2.79Å; E45-K390 PolarHBondContact OE1-NZ 3.24Å; F46-K390 HydrophobicContact CE1-CG 4.01Å; F46-K390 HydrophobicContact CZ-CG 4.36Å; L49-K390 HydrophobicContact CD2-CB 4.29Å; L49-K390 HydrophobicContact CD2-CG 3.82Å; T379-K390 HydrophobicContact CG2-CD 3.81Å; E382-K390 IonicContact OE1-NZ 2.77Å; E382-K390 PolarHBondContact OE1-NZ 3.19Å; E382-K390 WeakPolarHBondContact OE2-CD 3.29Å; E382-K390 VanDerWaalsContact OE2-CE 3.31Å; E382-K390 WeakPolarHBondContact OE2-CE 3.22Å; E382-K390 IonicContact OE2-NZ 2.87Å; E382-K390 PolarHBondContact OE2-NZ 3.39Å; F386-K390 WeakPolarHBondContact O-CB 3.18Å; F386-K390 WeakPolarHBondContact O-CG 3.22Å; F386-K390 PolarHBondContact O-N 3.31Å; R387-K390 PolarHBondContact O-N 3Å; K390-I393 PolarHBondContact O-N 2.6Å; K390-K394 WeakPolarHBondContact O-CB 3.48Å; K390-K394 WeakPolarHBondContact O-CG 3.43Å; K390-K394 PolarHBondContact O-N 2.9Å
391	W	94.9	Very high	95.1	Very high	43 Å²	43	34.3 Å²	34.3	16%	0.163	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-44.4	174	172	94	0	0	0	112.4	V372 L374 R387 F388 I393 K394 E395 K396 W440	V372-W391 HydrophobicContact CB-CD2 4.44Å; V372-W391 HydrophobicContact CB-CH2 4.08Å; V372-W391 HydrophobicContact CB-CZ2 3.88Å; V372-W391 HydrophobicContact CB-CZ3 4.44Å; V372-W391 HydrophobicContact CG1-CH2 3.35Å; V372-W391 HydrophobicContact CG1-CZ2 3.52Å; V372-W391 HydrophobicContact CG1-CZ3 3.92Å; V372-W391 HydrophobicContact CG2-CD2 4.45Å; V372-W391 HydrophobicContact CG2-CE3 4.38Å; V372-W391 HydrophobicContact CG2-CZ3 4.45Å; L374-W391 HydrophobicContact CD2-CB 3.51Å; L374-W391 HydrophobicContact CD2-CD2 4.31Å; L374-W391 HydrophobicContact CD2-CG 3.68Å; R387-W391 WeakPolarHBondContact O-CB 3.45Å; R387-W391 PolarHBondContact O-N 2.7Å; F388-W391 PolarHBondContact O-N 2.97Å; W391-I393 VanDerWaalsContact C-N 3.32Å; W391-I393 PolarHBondContact O-N 3.17Å; W391-K394 PolarHBondContact O-N 3.31Å; W391-E395 HydrophobicContact CG-CG 4.22Å; W391-E395 WeakPolarHBondContact O-CB 3.26Å; W391-E395 PolarHBondContact O-N 2.99Å; W391-K396 HydrophobicContact CH2-CD 4.23Å; W391-K396 HydrophobicContact CH2-CG 4.01Å; W391-K396 HydrophobicContact CZ3-CG 4.08Å; W391-W440 AromaticContact CH2-CE2 3.82Å; W391-W440 AromaticContact CH2-CH2 3.89Å; W391-W440 HydrophobicContact CH2-CH2 3.89Å; W391-W440 AromaticContact CH2-CZ2 3.46Å; W391-W440 HydrophobicContact CH2-CZ2 3.46Å; W391-W440 VanDerWaalsContact CH2-CZ2 3.46Å; W391-W440 AromaticContact CZ3-CH2 3.57Å; W391-W440 HydrophobicContact CZ3-CH2 3.57Å; W391-W440 AromaticContact CZ3-CZ2 3.65Å; W391-W440 HydrophobicContact CZ3-CZ2 3.65Å; W391-W440 HydrophobicContact CZ3-CZ3 4.24Å
392	L	95.1	Very high	95.5	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.126	C	C	.	.	I	π-helix	trans	-62.9	-38.3	-179.1	-171.1	72.8	0	0	0	111.9	F388 V389 K396 G397 L398 T400 I419 W440	F388-L392 VanDerWaalsContact O-CB 3.31Å; F388-L392 WeakPolarHBondContact O-CB 3.44Å; F388-L392 PolarHBondContact O-N 3.11Å; V389-L392 PolarHBondContact O-N 3.25Å; L392-K396 HydrophobicContact CD1-CB 4.08Å; L392-K396 HydrophobicContact CD1-CG 3.98Å; L392-K396 CarbonylContact O-C 3.56Å; L392-K396 WeakPolarHBondContact O-CA 3.32Å; L392-K396 WeakPolarHBondContact O-CB 3.23Å; L392-K396 PolarHBondContact O-N 2.91Å; L392-K396 VanDerWaalsContact O-N 3.17Å; L392-G397 PolarHBondContact O-N 3.11Å; L392-G397 VanDerWaalsContact O-N 3.09Å; L392-L398 CarbonylContact C-O 3.58Å; L392-L398 HydrophobicContact CD2-CB 4.38Å; L392-L398 HydrophobicContact CD2-CD2 4.33Å; L392-L398 HydrophobicContact CD2-CG 4.22Å; L392-L398 WeakPolarHBondContact CD2-O 3.31Å; L392-L398 HydrophobicContact CG-CB 4.12Å; L392-L398 HydrophobicContact CG-CG 4.5Å; L392-L398 WeakPolarHBondContact CG-O 3.48Å; L392-L398 PolarHBondContact O-N 3.4Å; L392-T400 HydrophobicContact CD2-CG2 3.87Å; L392-I419 HydrophobicContact CD2-CD1 4.34Å; L392-W440 HydrophobicContact CD1-CE3 4.21Å; L392-W440 HydrophobicContact CD1-CH2 4.05Å; L392-W440 HydrophobicContact CD1-CZ3 3.47Å; L392-W440 VanDerWaalsContact CD1-CZ3 3.47Å
393	I	95.9	Very high	95.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.113	C	C	.	.	I	π-helix	trans	-67.6	-51.4	173.4	-67.3	163.6	0	0	0	110.7	F46 L49 Y53 A55 V389 K390 W391 G397 A399	F46-I393 HydrophobicContact CD1-CD1 3.91Å; L49-I393 HydrophobicContact CD2-CB 4.38Å; L49-I393 HydrophobicContact CD2-CD1 3.91Å; L49-I393 HydrophobicContact CD2-CG2 4.37Å; L49-I393 HydrophobicContact CG-CB 4.45Å; L49-I393 HydrophobicContact CG-CD1 4.27Å; L49-I393 HydrophobicContact CG-CG2 3.91Å; Y53-I393 HydrophobicContact CD2-CG2 4.3Å; Y53-I393 HydrophobicContact CG-CG2 4.16Å; A55-I393 HydrophobicContact CB-CG2 4.16Å; V389-I393 HydrophobicContact CG1-CD1 3.92Å; V389-I393 WeakPolarHBondContact O-CG1 3.46Å; V389-I393 PolarHBondContact O-N 3.13Å; K390-I393 PolarHBondContact O-N 2.6Å; W391-I393 VanDerWaalsContact C-N 3.32Å; W391-I393 PolarHBondContact O-N 3.17Å; I393-G397 VanDerWaalsContact O-CA 3.32Å; I393-G397 WeakPolarHBondContact O-CA 3.35Å; I393-G397 PolarHBondContact O-N 3.21Å; I393-G397 VanDerWaalsContact O-N 3.14Å; I393-A399 HydrophobicContact CD1-CB 4.02Å; I393-A399 HydrophobicContact CG1-CB 3.79Å
394	K	94.4	Very high	95.9	Very high	61 Å²	61	23.1 Å²	23.1	27%	0.265	11%	0.107	S	C	.	.	I	π-helix	trans	-64.4	-49.3	-175.2	-69.6	177.7	-178.2	-175.4	0	113	Y53 D376 K390 W391	Y53-K394 HydrophobicContact CD1-CB 4.44Å; Y53-K394 HydrophobicContact CE1-CB 3.98Å; Y53-K394 HydrophobicContact CE1-CG 3.93Å; Y53-K394 HydrophobicContact CE2-CG 4.04Å; D376-K394 IonicContact OD2-NZ 3.3Å; D376-K394 PolarHBondContact OD2-NZ 2.85Å; K390-K394 WeakPolarHBondContact O-CB 3.48Å; K390-K394 WeakPolarHBondContact O-CG 3.43Å; K390-K394 PolarHBondContact O-N 2.9Å; W391-K394 PolarHBondContact O-N 3.31Å
395	E	92.6	Very high	95.9	Very high	129 Å²	129	22.1 Å²	22.1	60%	0.603	11%	0.108	S	C	*	.	I	π-helix	trans	-97.9	-25.7	-167.3	-59.3	-55.1	135.3	0	0	113.9	W391	W391-E395 HydrophobicContact CG-CG 4.22Å; W391-E395 WeakPolarHBondContact O-CB 3.26Å; W391-E395 PolarHBondContact O-N 2.99Å
396	K	93.4	Very high	96	Very high	56 Å²	56	22.1 Å²	22.1	24%	0.243	11%	0.108	C	C	.	.	I	π-helix	trans	-115	-15	-178.7	-49.3	-62.8	-175.7	172.3	0	113.5	W391 L392 I436	W391-K396 HydrophobicContact CH2-CD 4.23Å; W391-K396 HydrophobicContact CH2-CG 4.01Å; W391-K396 HydrophobicContact CZ3-CG 4.08Å; L392-K396 HydrophobicContact CD1-CB 4.08Å; L392-K396 HydrophobicContact CD1-CG 3.98Å; L392-K396 CarbonylContact O-C 3.56Å; L392-K396 WeakPolarHBondContact O-CA 3.32Å; L392-K396 WeakPolarHBondContact O-CB 3.23Å; L392-K396 PolarHBondContact O-N 2.91Å; L392-K396 VanDerWaalsContact O-N 3.17Å; K396-I436 HydrophobicContact CB-CG2 3.93Å; K396-I436 WeakPolarHBondContact O-CG2 3.17Å
397	G	96.1	Very high	96.1	Very high	21 Å²	21	21.1 Å²	21.1	22%	0.216	10%	0.103	C	C	.	.			trans	71	28.2	-178.9	0	0	0	0	0	113.9	A55 V56 L392 I393 I436	A55-G397 CarbonylContact C-O 3.58Å; A55-G397 VanDerWaalsContact CA-O 3.23Å; A55-G397 WeakPolarHBondContact CA-O 2.96Å; A55-G397 WeakPolarHBondContact CB-O 3.27Å; V56-G397 PolarHBondContact N-O 3.37Å; L392-G397 PolarHBondContact O-N 3.11Å; L392-G397 VanDerWaalsContact O-N 3.09Å; I393-G397 VanDerWaalsContact O-CA 3.32Å; I393-G397 WeakPolarHBondContact O-CA 3.35Å; I393-G397 PolarHBondContact O-N 3.21Å; I393-G397 VanDerWaalsContact O-N 3.14Å; G397-I436 WeakPolarHBondContact O-CD1 3.42Å
398	L	96.8	Very high	96.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	115.1	-179.7	178.9	60.4	0	0	0	110.6	V56 L58 L392 F421 A433 I436 L437	V56-L398 HydrophobicContact CB-CD1 4.28Å; V56-L398 HydrophobicContact CG1-CD1 4.38Å; L58-L398 HydrophobicContact CD1-CD1 4.07Å; L58-L398 HydrophobicContact CG-CD1 4.02Å; L392-L398 CarbonylContact C-O 3.58Å; L392-L398 HydrophobicContact CD2-CB 4.38Å; L392-L398 HydrophobicContact CD2-CD2 4.33Å; L392-L398 HydrophobicContact CD2-CG 4.22Å; L392-L398 WeakPolarHBondContact CD2-O 3.31Å; L392-L398 HydrophobicContact CG-CB 4.12Å; L392-L398 HydrophobicContact CG-CG 4.5Å; L392-L398 WeakPolarHBondContact CG-O 3.48Å; L392-L398 PolarHBondContact O-N 3.4Å; L398-F421 HydrophobicContact CD2-CE1 4.22Å; L398-A433 HydrophobicContact CD1-CB 3.92Å; L398-I436 HydrophobicContact CB-CD1 4.3Å; L398-I436 HydrophobicContact CB-CG2 4.1Å; L398-I436 HydrophobicContact CD2-CG2 4.44Å; L398-L437 HydrophobicContact CD2-CD2 3.95Å; L398-L437 HydrophobicContact CD2-CG 4.2Å
399	A	97.4	Very high	95.9	Very high	2 Å²	2	23 Å²	23	2%	0.017	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.6	-179.5	0	0	0	0	0	112.4	A50 A55 V56 L58 G59 I393	A50-A399 HydrophobicContact CB-CB 3.62Å; A55-A399 HydrophobicContact CB-CB 4.04Å; V56-A399 PolarHBondContact O-N 3.14Å; L58-A399 CarbonylContact C-O 3.58Å; L58-A399 VanDerWaalsContact C-O 3.27Å; L58-A399 WeakPolarHBondContact CA-O 3.3Å; L58-A399 PolarHBondContact N-O 3.32Å; G59-A399 PolarHBondContact N-O 3.36Å; I393-A399 HydrophobicContact CD1-CB 4.02Å; I393-A399 HydrophobicContact CG1-CB 3.79Å
400	T	97.1	Very high	95.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	15%	0.153	C	C	.	.			trans	-138.5	-170.2	178.1	60.1	0	0	0	0	108.4	V389 L392 I419 F421	V389-T400 WeakPolarHBondContact CG1-O 3.1Å; V389-T400 WeakPolarHBondContact CG1-OG1 3.19Å; V389-T400 WeakPolarHBondContact CG2-OG1 3.47Å; L392-T400 HydrophobicContact CD2-CG2 3.87Å; T400-I419 HydrophobicContact CG2-CD1 4.39Å; T400-F421 HydrophobicContact CG2-CD1 3.5Å; T400-F421 HydrophobicContact CG2-CD2 4.49Å; T400-F421 HydrophobicContact CG2-CE1 3.23Å; T400-F421 HydrophobicContact CG2-CE2 4.27Å; T400-F421 HydrophobicContact CG2-CG 4.14Å; T400-F421 HydrophobicContact CG2-CZ 3.66Å
401	I	97.8	Very high	95.9	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.5	176	-58.3	-68.5	0	0	0	109.6	W43 F46 G59 F406 R420	W43-I401 HydrophobicContact CE3-CD1 4.2Å; W43-I401 HydrophobicContact CZ3-CD1 3.87Å; W43-I401 HydrophobicContact CZ3-CG1 3.93Å; W43-I401 HydrophobicContact CZ3-CG2 4.48Å; F46-I401 HydrophobicContact CB-CD1 3.98Å; F46-I401 HydrophobicContact CG-CD1 4.5Å; G59-I401 WeakPolarHBondContact O-CG1 3.36Å; I401-F406 HydrophobicContact CG2-CE2 3.74Å; I401-F406 HydrophobicContact CG2-CZ 3.86Å; I401-R420 HydrophobicContact CB-CB 4.49Å; I401-R420 PolarHBondContact N-O 3.34Å; I401-R420 PolarHBondContact O-N 3.04Å
402	P	97.4	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	137.8	173.9	27	-35	0	0	0	111.2	V42 F46 D385 F386 V389	V42-P402 HydrophobicContact CG2-CG 4.5Å; F46-P402 HydrophobicContact CD2-CG 4.45Å; F46-P402 HydrophobicContact CE2-CG 3.63Å; F46-P402 HydrophobicContact CZ-CG 3.71Å; D385-P402 HydrophobicContact CB-CB 3.96Å; D385-P402 VanDerWaalsContact OD2-CB 3.27Å; D385-P402 WeakPolarHBondContact OD2-CB 3.45Å; F386-P402 HydrophobicContact CD1-CG 4.23Å; F386-P402 HydrophobicContact CD2-CB 3.36Å; F386-P402 HydrophobicContact CD2-CG 3.33Å; F386-P402 HydrophobicContact CE1-CG 4.21Å; F386-P402 HydrophobicContact CE2-CB 3.7Å; F386-P402 HydrophobicContact CE2-CG 3.34Å; F386-P402 HydrophobicContact CG-CB 4.07Å; F386-P402 HydrophobicContact CG-CG 3.82Å; F386-P402 HydrophobicContact CZ-CG 3.79Å; V389-P402 HydrophobicContact CG2-CB 4.34Å
403	V	97.6	Very high	95.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-80.1	-26.4	-175.4	167.9	0	0	0	0	112.7	P209 I364 D385 A405 F406 F407 Y418 R420	P209-V403 HydrophobicContact CG-CG1 4.39Å; I364-V403 HydrophobicContact CB-CG2 4.24Å; I364-V403 HydrophobicContact CG2-CG2 3.72Å; D385-V403 PolarHBondContact OD2-N 2.86Å; V403-A405 PolarHBondContact O-N 3.02Å; V403-A405 VanDerWaalsContact O-N 3.07Å; V403-F406 WeakPolarHBondContact O-CB 3.27Å; V403-F406 WeakPolarHBondContact O-CD2 3.43Å; V403-F406 PolarHBondContact O-N 3.05Å; V403-F407 HydrophobicContact CG1-CD2 4.24Å; V403-F407 HydrophobicContact CG1-CE2 3.82Å; V403-Y418 VanDerWaalsContact CB-O 3.28Å; V403-Y418 WeakPolarHBondContact CB-O 3.45Å; V403-Y418 PolarHBondContact N-O 3.2Å; V403-R420 HydrophobicContact CG2-CB 4Å
404	S	96.6	Very high	95.7	Very high	8 Å²	8	40.8 Å²	40.8	6%	0.056	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-58.1	-20.1	174	59.6	0	0	0	0	113.8	S383 D385 F386 F406 F407	S383-S404 PolarHBondContact OG-OG 3.43Å; S383-S404 VanDerWaalsContact OG-OG 3.05Å; D385-S404 PolarHBondContact OD1-OG 2.85Å; D385-S404 VanDerWaalsContact OD2-CB 3.23Å; D385-S404 WeakPolarHBondContact OD2-CB 3.46Å; D385-S404 PolarHBondContact OD2-N 2.87Å; D385-S404 PolarHBondContact OD2-OG 2.57Å; F386-S404 WeakPolarHBondContact CD2-OG 3.36Å; F386-S404 WeakPolarHBondContact CE2-OG 3.37Å; S404-F406 PolarHBondContact O-N 3Å; S404-F407 PolarHBondContact O-N 2.7Å
405	A	95.9	Very high	95.7	Very high	23 Å²	23	38.1 Å²	38.1	19%	0.19	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-67.5	-13.1	171.6	0	0	0	0	0	114.2	V42 F386 V403	V42-A405 HydrophobicContact CB-CB 4.18Å; V42-A405 HydrophobicContact CG1-CB 4.17Å; V42-A405 HydrophobicContact CG2-CB 3.82Å; F386-A405 HydrophobicContact CE2-CB 3.98Å; F386-A405 HydrophobicContact CZ-CB 4.05Å; V403-A405 PolarHBondContact O-N 3.02Å; V403-A405 VanDerWaalsContact O-N 3.07Å
406	F	97.4	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-104.6	12.9	176	-56.1	-70.3	0	0	0	112.5	W43 P148 F149 D151 P209 I401 V403 S404	W43-F406 HydrophobicContact CH2-CE1 4.12Å; W43-F406 AromaticContact CH2-CZ 3.77Å; W43-F406 HydrophobicContact CH2-CZ 3.77Å; W43-F406 AromaticContact CZ2-CE1 3.85Å; W43-F406 HydrophobicContact CZ2-CE1 3.85Å; W43-F406 AromaticContact CZ2-CZ 3.96Å; W43-F406 HydrophobicContact CZ2-CZ 3.96Å; P148-F406 CarbonylContact C-O 3.52Å; P148-F406 VanDerWaalsContact CA-O 3.3Å; P148-F406 WeakPolarHBondContact CA-O 3.47Å; P148-F406 HydrophobicContact CB-CB 3.92Å; F149-F406 PolarHBondContact N-O 2.97Å; F149-F406 VanDerWaalsContact O-CB 3.24Å; F149-F406 WeakPolarHBondContact O-CB 3.34Å; F149-F406 VanDerWaalsContact O-CD1 3.24Å; F149-F406 WeakPolarHBondContact O-CD1 3.49Å; D151-F406 HydrophobicContact CB-CD1 4.4Å; P209-F406 HydrophobicContact CB-CD2 3.75Å; P209-F406 HydrophobicContact CB-CE2 3.92Å; P209-F406 HydrophobicContact CB-CG 4.22Å; P209-F406 HydrophobicContact CG-CB 3.88Å; P209-F406 HydrophobicContact CG-CD2 3.58Å; P209-F406 HydrophobicContact CG-CE2 4.28Å; P209-F406 HydrophobicContact CG-CG 3.75Å; I401-F406 HydrophobicContact CG2-CE2 3.74Å; I401-F406 HydrophobicContact CG2-CZ 3.86Å; V403-F406 WeakPolarHBondContact O-CB 3.27Å; V403-F406 WeakPolarHBondContact O-CD2 3.43Å; V403-F406 PolarHBondContact O-N 3.05Å; S404-F406 PolarHBondContact O-N 3Å
407	F	97.7	Very high	96	Very high	12 Å²	12	32.8 Å²	32.8	5%	0.053	17%	0.173	C	C	.	.	S	Bend	trans	-121.8	154.2	176.3	-78.9	-88.3	0	0	0	110.6	E147 P148 P168 V403 S404 H411 F415	E147-F407 HydrophobicContact CB-CD1 3.53Å; E147-F407 HydrophobicContact CB-CE1 3.48Å; E147-F407 VanDerWaalsContact CB-CE1 3.48Å; E147-F407 HydrophobicContact CB-CG 4.44Å; E147-F407 HydrophobicContact CB-CZ 4.38Å; E147-F407 HydrophobicContact CG-CD1 3.93Å; E147-F407 HydrophobicContact CG-CE1 4.37Å; P148-F407 HydrophobicContact CB-CD2 4.13Å; P148-F407 HydrophobicContact CB-CE2 3.6Å; P148-F407 HydrophobicContact CB-CZ 3.81Å; P148-F407 HydrophobicContact CG-CE2 4.29Å; P148-F407 HydrophobicContact CG-CZ 4.22Å; P168-F407 HydrophobicContact CB-CE1 4.32Å; V403-F407 HydrophobicContact CG1-CD2 4.24Å; V403-F407 HydrophobicContact CG1-CE2 3.82Å; S404-F407 PolarHBondContact O-N 2.7Å; F407-H411 HydrophobicContact CD1-CB 4.04Å; F407-F415 AromaticContact CD1-CD2 3.5Å; F407-F415 HydrophobicContact CD1-CD2 3.5Å; F407-F415 HydrophobicContact CD1-CE2 4.03Å; F407-F415 HydrophobicContact CD1-CG 4.18Å; F407-F415 HydrophobicContact CD2-CB 3.74Å; F407-F415 HydrophobicContact CD2-CD2 4.27Å; F407-F415 HydrophobicContact CD2-CG 4.17Å; F407-F415 HydrophobicContact CE1-CB 4.27Å; F407-F415 HydrophobicContact CE1-CD1 4.28Å; F407-F415 AromaticContact CE1-CD2 3.12Å; F407-F415 HydrophobicContact CE1-CD2 3.12Å; F407-F415 HydrophobicContact CE1-CE1 4.49Å; F407-F415 AromaticContact CE1-CE2 3.39Å; F407-F415 HydrophobicContact CE1-CE2 3.39Å; F407-F415 AromaticContact CE1-CG 3.62Å; F407-F415 HydrophobicContact CE1-CG 3.62Å; F407-F415 HydrophobicContact CE1-CZ 4.09Å; F407-F415 HydrophobicContact CE2-CB 3.42Å; F407-F415 VanDerWaalsContact CE2-CB 3.42Å; F407-F415 HydrophobicContact CE2-CD1 4.22Å; F407-F415 AromaticContact CE2-CD2 3.93Å; F407-F415 HydrophobicContact CE2-CD2 3.93Å; F407-F415 AromaticContact CE2-CG 3.58Å; F407-F415 HydrophobicContact CE2-CG 3.58Å; F407-F415 HydrophobicContact CG-CB 4.28Å; F407-F415 HydrophobicContact CG-CD2 4.08Å; F407-F415 HydrophobicContact CG-CG 4.44Å; F407-F415 HydrophobicContact CZ-CB 3.73Å; F407-F415 AromaticContact CZ-CD1 3.73Å; F407-F415 HydrophobicContact CZ-CD1 3.73Å; F407-F415 AromaticContact CZ-CD2 3.36Å; F407-F415 HydrophobicContact CZ-CD2 3.36Å; F407-F415 HydrophobicContact CZ-CE1 4.19Å; F407-F415 AromaticContact CZ-CE2 3.86Å; F407-F415 HydrophobicContact CZ-CE2 3.86Å; F407-F415 AromaticContact CZ-CG 3.29Å; F407-F415 HydrophobicContact CZ-CG 3.29Å; F407-F415 HydrophobicContact CZ-CZ 4.24Å
408	S	96.4	Very high	96	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.			trans	-62.2	158.8	169.3	61.9	0	0	0	0	111.8	E147 Y166 E410 H411 S412	E147-S408 WeakPolarHBondContact OE1-CB 3.34Å; E147-S408 PolarHBondContact OE1-N 2.82Å; E147-S408 PolarHBondContact OE1-OG 3.22Å; Y166-S408 VanDerWaalsContact CG-CB 3.49Å; S408-E410 PolarHBondContact O-N 3.46Å; S408-E410 VanDerWaalsContact O-N 3.14Å; S408-H411 PolarHBondContact O-N 2.86Å; S408-H411 PolarHBondContact OG-N 3.21Å; S408-S412 WeakPolarHBondContact O-CA 3.3Å; S408-S412 WeakPolarHBondContact O-CB 3.38Å; S408-S412 PolarHBondContact O-N 3.15Å; S408-S412 PolarHBondContact O-OG 2.64Å
409	P	91.8	Very high	96	Very high	99 Å²	99	33 Å²	33	64%	0.643	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.4	170.7	-26.7	35.7	0	0	0	113.3	S412	P409-S412 PolarHBondContact O-OG 3.07Å; P409-S412 VanDerWaalsContact O-OG 3.1Å
410	E	95	Very high	96.1	Very high	133 Å²	133	33 Å²	33	62%	0.621	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-44.5	-179.4	-64.3	168.6	-121.9	0	0	112.5	S408	S408-E410 PolarHBondContact O-N 3.46Å; S408-E410 VanDerWaalsContact O-N 3.14Å
411	H	96.3	Very high	96.1	Very high	26 Å²	26	33 Å²	33	12%	0.12	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-14.2	-176.3	-57.9	137.3	0	0	0	114.3	E147 F407 S408 K413 E414 F415	E147-H411 IonicContact OE1-ND1 3.9Å; E147-H411 IonicContact OE2-CE1 2.99Å; E147-H411 IonicContact OE2-CG 2.77Å; E147-H411 IonicContact OE2-ND1 3.41Å; E147-H411 PolarHBondContact OE2-ND1 3.37Å; F407-H411 HydrophobicContact CD1-CB 4.04Å; S408-H411 PolarHBondContact O-N 2.86Å; S408-H411 PolarHBondContact OG-N 3.21Å; H411-K413 PolarHBondContact O-N 3Å; H411-E414 WeakPolarHBondContact O-CB 3.35Å; H411-E414 PolarHBondContact O-N 3.23Å; H411-F415 HydrophobicContact CB-CD2 4.38Å; H411-F415 HydrophobicContact CB-CE2 4.33Å; H411-F415 WeakPolarHBondContact O-CD2 3.12Å
412	S	94.4	Very high	96.2	Very high	29 Å²	29	32.7 Å²	32.7	20%	0.203	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-33.9	-177.7	60	0	0	0	0	114.3	S408 P409 F415 D416	S408-S412 WeakPolarHBondContact O-CA 3.3Å; S408-S412 WeakPolarHBondContact O-CB 3.38Å; S408-S412 PolarHBondContact O-N 3.15Å; S408-S412 PolarHBondContact O-OG 2.64Å; P409-S412 PolarHBondContact O-OG 3.07Å; P409-S412 VanDerWaalsContact O-OG 3.1Å; S412-F415 PolarHBondContact O-N 3.45Å; S412-D416 PolarHBondContact O-N 3.48Å
413	K	94.4	Very high	96.2	Very high	143 Å²	143	32.7 Å²	32.7	62%	0.622	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-25.8	-179.7	-172.6	56.6	-172	169.8	0	114.2	H411 F415 D416	H411-K413 PolarHBondContact O-N 3Å; K413-F415 VanDerWaalsContact C-N 3.28Å; K413-D416 IonicContact NZ-OD1 3.94Å; K413-D416 IonicContact NZ-OD2 3.56Å; K413-D416 PolarHBondContact NZ-OD2 3Å
414	E	94	Very high	96.2	Very high	106 Å²	106	32.6 Å²	32.6	50%	0.495	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-30.5	173.2	-172.8	-178.8	161.6	0	0	110.9	R170 H411	R170-E414 IonicContact CZ-OE2 3.87Å; R170-E414 IonicContact NH1-OE1 3.83Å; R170-E414 PolarHBondContact NH1-OE1 3.13Å; R170-E414 IonicContact NH1-OE2 3.91Å; R170-E414 PolarHBondContact NH1-OE2 3.14Å; H411-E414 WeakPolarHBondContact O-CB 3.35Å; H411-E414 PolarHBondContact O-N 3.23Å
415	F	94.3	Very high	96.2	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.026	16%	0.163	C	C	.	.	S	Bend	trans	-112	17.7	-172.7	-58.6	-77	0	0	0	114.2	P168 W183 F407 H411 S412 K413 K417 Y418	P168-F415 HydrophobicContact CB-CE2 4.26Å; P168-F415 HydrophobicContact CB-CZ 4.46Å; W183-F415 AromaticContact CH2-CD1 3.81Å; W183-F415 HydrophobicContact CH2-CD1 3.81Å; W183-F415 AromaticContact CH2-CE1 3.72Å; W183-F415 HydrophobicContact CH2-CE1 3.72Å; W183-F415 AromaticContact CZ3-CD1 3.95Å; W183-F415 HydrophobicContact CZ3-CD1 3.95Å; W183-F415 AromaticContact CZ3-CE1 3.51Å; W183-F415 HydrophobicContact CZ3-CE1 3.51Å; W183-F415 HydrophobicContact CZ3-CZ 4.37Å; F407-F415 AromaticContact CD1-CD2 3.5Å; F407-F415 HydrophobicContact CD1-CD2 3.5Å; F407-F415 HydrophobicContact CD1-CE2 4.03Å; F407-F415 HydrophobicContact CD1-CG 4.18Å; F407-F415 HydrophobicContact CD2-CB 3.74Å; F407-F415 HydrophobicContact CD2-CD2 4.27Å; F407-F415 HydrophobicContact CD2-CG 4.17Å; F407-F415 HydrophobicContact CE1-CB 4.27Å; F407-F415 HydrophobicContact CE1-CD1 4.28Å; F407-F415 AromaticContact CE1-CD2 3.12Å; F407-F415 HydrophobicContact CE1-CD2 3.12Å; F407-F415 HydrophobicContact CE1-CE1 4.49Å; F407-F415 AromaticContact CE1-CE2 3.39Å; F407-F415 HydrophobicContact CE1-CE2 3.39Å; F407-F415 AromaticContact CE1-CG 3.62Å; F407-F415 HydrophobicContact CE1-CG 3.62Å; F407-F415 HydrophobicContact CE1-CZ 4.09Å; F407-F415 HydrophobicContact CE2-CB 3.42Å; F407-F415 VanDerWaalsContact CE2-CB 3.42Å; F407-F415 HydrophobicContact CE2-CD1 4.22Å; F407-F415 AromaticContact CE2-CD2 3.93Å; F407-F415 HydrophobicContact CE2-CD2 3.93Å; F407-F415 AromaticContact CE2-CG 3.58Å; F407-F415 HydrophobicContact CE2-CG 3.58Å; F407-F415 HydrophobicContact CG-CB 4.28Å; F407-F415 HydrophobicContact CG-CD2 4.08Å; F407-F415 HydrophobicContact CG-CG 4.44Å; F407-F415 HydrophobicContact CZ-CB 3.73Å; F407-F415 AromaticContact CZ-CD1 3.73Å; F407-F415 HydrophobicContact CZ-CD1 3.73Å; F407-F415 AromaticContact CZ-CD2 3.36Å; F407-F415 HydrophobicContact CZ-CD2 3.36Å; F407-F415 HydrophobicContact CZ-CE1 4.19Å; F407-F415 AromaticContact CZ-CE2 3.86Å; F407-F415 HydrophobicContact CZ-CE2 3.86Å; F407-F415 AromaticContact CZ-CG 3.29Å; F407-F415 HydrophobicContact CZ-CG 3.29Å; F407-F415 HydrophobicContact CZ-CZ 4.24Å; H411-F415 HydrophobicContact CB-CD2 4.38Å; H411-F415 HydrophobicContact CB-CE2 4.33Å; H411-F415 WeakPolarHBondContact O-CD2 3.12Å; S412-F415 PolarHBondContact O-N 3.45Å; K413-F415 VanDerWaalsContact C-N 3.28Å; F415-K417 PolarHBondContact O-N 3.4Å; F415-Y418 HydrophobicContact CB-CD2 4.46Å; F415-Y418 HydrophobicContact CD1-CD2 4.46Å; F415-Y418 HydrophobicContact CD1-CE2 4.19Å
416	D	95.6	Very high	96.2	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.032	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	12	-179.9	88.8	-14.6	0	0	0	115.6	Y384 D385 S412 K413	Y384-D416 WeakPolarHBondContact CB-OD2 3.46Å; Y384-D416 PolarHBondContact N-OD2 3.22Å; Y384-D416 VanDerWaalsContact N-OD2 3.08Å; D385-D416 WeakPolarHBondContact CB-O 3.24Å; D385-D416 PolarHBondContact N-O 2.64Å; S412-D416 PolarHBondContact O-N 3.48Å; K413-D416 IonicContact NZ-OD1 3.94Å; K413-D416 IonicContact NZ-OD2 3.56Å; K413-D416 PolarHBondContact NZ-OD2 3Å
417	K	95.2	Very high	96.1	Very high	67 Å²	67	39.5 Å²	39.5	29%	0.291	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	16.8	-179.7	-59.3	-58.6	-179	168.7	0	113.7	D366 I367 Y384 F415	D366-K417 WeakPolarHBondContact CA-O 3.33Å; I367-K417 WeakPolarHBondContact CG1-O 3.35Å; I367-K417 PolarHBondContact N-O 3.41Å; Y384-K417 HydrophobicContact CD1-CD 3.54Å; Y384-K417 VanDerWaalsContact CD2-NZ 3.27Å; Y384-K417 HydrophobicContact CE1-CD 3.98Å; Y384-K417 VanDerWaalsContact CE1-NZ 3.32Å; Y384-K417 HydrophobicContact CG-CD 4.13Å; F415-K417 PolarHBondContact O-N 3.4Å
418	Y	96.8	Very high	96.1	Very high	25 Å²	25	41.8 Å²	41.8	10%	0.098	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.6	176.4	-62.6	-84.1	0	0	0	112	W183 V355 I364 T365 D366 D385 V403 F415	W183-Y418 HydrophobicContact CH2-CE2 4.09Å; W183-Y418 HydrophobicContact CZ2-CE1 4.25Å; W183-Y418 HydrophobicContact CZ2-CE2 4.34Å; W183-Y418 AromaticContact CZ2-CZ 3.95Å; V355-Y418 HydrophobicContact CG2-CE1 4.45Å; I364-Y418 HydrophobicContact CD1-CD1 3.91Å; I364-Y418 HydrophobicContact CD1-CE1 4.36Å; I364-Y418 HydrophobicContact CD1-CG 4.3Å; I364-Y418 HydrophobicContact CG1-CD1 4.37Å; T365-Y418 WeakPolarHBondContact O-CA 3.35Å; D366-Y418 HydrophobicContact CB-CD1 3.98Å; D366-Y418 HydrophobicContact CB-CE1 3.64Å; D385-Y418 WeakPolarHBondContact CB-O 3.35Å; V403-Y418 VanDerWaalsContact CB-O 3.28Å; V403-Y418 WeakPolarHBondContact CB-O 3.45Å; V403-Y418 PolarHBondContact N-O 3.2Å; F415-Y418 HydrophobicContact CB-CD2 4.46Å; F415-Y418 HydrophobicContact CD1-CD2 4.46Å; F415-Y418 HydrophobicContact CD1-CE2 4.19Å
419	I	97.7	Very high	96.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.4	168.5	65.2	174.8	0	0	0	110.1	I364 T365 I367 D385 F388 V389 L392 T400 F421	I364-I419 CarbonylContact C-O 3.15Å; I364-I419 WeakPolarHBondContact CA-O 3.25Å; T365-I419 PolarHBondContact N-O 3.36Å; T365-I419 PolarHBondContact O-N 3.43Å; I367-I419 HydrophobicContact CD1-CG2 4.05Å; I367-I419 HydrophobicContact CG2-CD1 3.77Å; I367-I419 HydrophobicContact CG2-CG1 3.73Å; I367-I419 HydrophobicContact CG2-CG2 4.18Å; D385-I419 HydrophobicContact CB-CG2 4.12Å; F388-I419 HydrophobicContact CD1-CD1 4.21Å; F388-I419 HydrophobicContact CD1-CG2 4.31Å; F388-I419 HydrophobicContact CE1-CD1 3.83Å; V389-I419 HydrophobicContact CG2-CB 4.15Å; V389-I419 HydrophobicContact CG2-CG2 3.49Å; V389-I419 VanDerWaalsContact CG2-CG2 3.49Å; L392-I419 HydrophobicContact CD2-CD1 4.34Å; T400-I419 HydrophobicContact CG2-CD1 4.39Å; I419-F421 HydrophobicContact CD1-CE2 3.58Å; I419-F421 HydrophobicContact CD1-CZ 3.71Å; I419-F421 HydrophobicContact CG1-CD2 4.37Å; I419-F421 HydrophobicContact CG1-CE2 3.68Å; I419-F421 HydrophobicContact CG1-CZ 4.32Å
420	R	98.4	Very high	96.2	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.8	-176.5	-168	-160.1	75.9	177	-3.2	111.5	G59 N208 P209 F362 I364 I401 V403	G59-R420 PolarHBondContact O-NH2 3.11Å; N208-R420 PolarHBondContact OD1-NH1 3.5Å; P209-R420 HydrophobicContact CB-CB 4.37Å; P209-R420 VanDerWaalsContact CB-CD 3.42Å; P209-R420 HydrophobicContact CB-CG 3.87Å; F362-R420 HydrophobicContact CB-CG 3.85Å; F362-R420 HydrophobicContact CD1-CG 4.24Å; F362-R420 VanDerWaalsContact CE1-CZ 3.41Å; F362-R420 HydrophobicContact CG-CG 4.21Å; I364-R420 HydrophobicContact CG2-CB 4.44Å; I364-R420 HydrophobicContact CG2-CG 4.37Å; I401-R420 HydrophobicContact CB-CB 4.49Å; I401-R420 PolarHBondContact N-O 3.34Å; I401-R420 PolarHBondContact O-N 3.04Å; V403-R420 HydrophobicContact CG2-CB 4Å
421	F	98.4	Very high	96.2	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	152.1	169.7	-64.5	-97.6	0	0	0	111.3	L58 L343 L347 F362 M363 T365 L398 T400 I419	L58-F421 HydrophobicContact CB-CD1 4.01Å; L58-F421 HydrophobicContact CD1-CD1 3.81Å; L58-F421 HydrophobicContact CD1-CE1 4.42Å; L58-F421 CarbonylContact O-C 3.43Å; L343-F421 HydrophobicContact CD2-CB 3.76Å; L343-F421 HydrophobicContact CD2-CG 4.42Å; L347-F421 HydrophobicContact CD1-CD2 4.07Å; L347-F421 HydrophobicContact CD1-CE2 4.14Å; L347-F421 HydrophobicContact CD1-CG 4.47Å; L347-F421 HydrophobicContact CD2-CD1 4.46Å; L347-F421 HydrophobicContact CD2-CD2 4.3Å; L347-F421 HydrophobicContact CD2-CE1 3.84Å; L347-F421 HydrophobicContact CD2-CE2 3.66Å; L347-F421 HydrophobicContact CD2-CZ 3.4Å; L347-F421 VanDerWaalsContact CD2-CZ 3.4Å; F362-F421 VanDerWaalsContact CA-O 3.24Å; F362-F421 WeakPolarHBondContact CA-O 3.41Å; M363-F421 PolarHBondContact N-O 3.29Å; M363-F421 PolarHBondContact O-N 3.21Å; T365-F421 HydrophobicContact CG2-CE2 4.26Å; T365-F421 WeakPolarHBondContact OG1-CD2 3.34Å; L398-F421 HydrophobicContact CD2-CE1 4.22Å; T400-F421 HydrophobicContact CG2-CD1 3.5Å; T400-F421 HydrophobicContact CG2-CD2 4.49Å; T400-F421 HydrophobicContact CG2-CE1 3.23Å; T400-F421 HydrophobicContact CG2-CE2 4.27Å; T400-F421 HydrophobicContact CG2-CG 4.14Å; T400-F421 HydrophobicContact CG2-CZ 3.66Å; I419-F421 HydrophobicContact CD1-CE2 3.58Å; I419-F421 HydrophobicContact CD1-CZ 3.71Å; I419-F421 HydrophobicContact CG1-CD2 4.37Å; I419-F421 HydrophobicContact CG1-CE2 3.68Å; I419-F421 HydrophobicContact CG1-CZ 4.32Å
422	C	98.4	Very high	96.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	114	172.6	-176.6	0	0	0	0	108.9	L58 Q60 Y361 F362	L58-C422 WeakPolarHBondContact O-CB 3.36Å; L58-C422 PolarHBondContact O-N 2.77Å; Q60-C422 PolarHBondContact O-SG 3Å; Q60-C422 VanDerWaalsContact O-SG 3.4Å; Y361-C422 WeakPolarHBondContact O-CA 3.39Å; F362-C422 HydrophobicContact CD1-CB 3.96Å; F362-C422 HydrophobicContact CE1-CB 3.94Å
423	F	97.9	Very high	96.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.			trans	-92.1	0.2	-179.5	54.1	-101.7	0	0	0	113.7	Y244 L336 R340 L343 P357 G360 Y361 M363 K425	Y244-F423 HydrophobicContact CE2-CE2 4.28Å; Y244-F423 AromaticContact CE2-CZ 3.85Å; Y244-F423 HydrophobicContact CE2-CZ 3.85Å; Y244-F423 WeakPolarHBondContact OH-CE2 3.19Å; L336-F423 HydrophobicContact CB-CD2 4.5Å; L336-F423 HydrophobicContact CB-CE2 4.16Å; R340-F423 HydrophobicContact CB-CD1 4.19Å; R340-F423 HydrophobicContact CB-CD2 3.99Å; R340-F423 HydrophobicContact CB-CE1 4.2Å; R340-F423 HydrophobicContact CB-CE2 4.01Å; R340-F423 HydrophobicContact CB-CG 4.09Å; R340-F423 HydrophobicContact CB-CZ 4.12Å; R340-F423 HydrophobicContact CG-CD1 4.21Å; R340-F423 HydrophobicContact CG-CE1 3.96Å; R340-F423 HydrophobicContact CG-CZ 4.13Å; L343-F423 HydrophobicContact CB-CB 4.45Å; L343-F423 HydrophobicContact CD2-CB 3.82Å; P357-F423 HydrophobicContact CG-CE1 3.82Å; P357-F423 HydrophobicContact CG-CZ 4.39Å; G360-F423 WeakPolarHBondContact O-CZ 3.21Å; Y361-F423 VanDerWaalsContact C-CE1 3.41Å; Y361-F423 WeakPolarHBondContact O-CD1 3.41Å; Y361-F423 WeakPolarHBondContact O-CE1 3.35Å; Y361-F423 PolarHBondContact O-N 3.25Å; M363-F423 HydrophobicContact CB-CD1 4.24Å; M363-F423 HydrophobicContact CB-CE1 4.45Å; F423-K425 PolarHBondContact O-N 3.08Å
424	V	97.4	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.			trans	-82.6	75.5	178.1	-175.7	0	0	0	0	108.8	P63 F65 L336 Y361	P63-V424 HydrophobicContact CB-CG1 4.09Å; P63-V424 HydrophobicContact CG-CG1 3.8Å; F65-V424 HydrophobicContact CE1-CG1 3.88Å; F65-V424 HydrophobicContact CZ-CG1 3.72Å; L336-V424 HydrophobicContact CD1-CG1 4.24Å; L336-V424 HydrophobicContact CD1-CG2 3.63Å; L336-V424 HydrophobicContact CD2-CB 4.16Å; L336-V424 HydrophobicContact CD2-CG1 4Å; L336-V424 HydrophobicContact CD2-CG2 3.84Å; L336-V424 HydrophobicContact CG-CG2 4.31Å; Y361-V424 HydrophobicContact CD1-CB 4.32Å; Y361-V424 HydrophobicContact CD1-CG1 4.46Å; Y361-V424 HydrophobicContact CD1-CG2 3.38Å; Y361-V424 HydrophobicContact CD2-CB 4.15Å; Y361-V424 HydrophobicContact CD2-CG1 4.34Å; Y361-V424 HydrophobicContact CD2-CG2 3.97Å; Y361-V424 HydrophobicContact CE1-CG1 4.16Å; Y361-V424 HydrophobicContact CE1-CG2 3.85Å; Y361-V424 HydrophobicContact CE2-CB 4.4Å; Y361-V424 HydrophobicContact CE2-CG1 4.09Å; Y361-V424 HydrophobicContact CE2-CG2 4.43Å; Y361-V424 HydrophobicContact CG-CB 4.11Å; Y361-V424 HydrophobicContact CG-CG2 3.41Å; Y361-V424 VanDerWaalsContact CG-CG2 3.41Å
425	K	97.4	Very high	96.2	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.022	16%	0.163	C	C	.	.	S	Bend	trans	-140.3	160.8	-175.1	-57.5	-65.5	169.5	-168.8	0	112.3	N57 L58 Q60 F62 D64 K339 F423 T429 L430	N57-K425 WeakPolarHBondContact O-CE 3.43Å; L58-K425 HydrophobicContact CD2-CG 3.86Å; Q60-K425 PolarHBondContact O-NZ 2.93Å; F62-K425 PolarHBondContact O-NZ 3.2Å; D64-K425 VanDerWaalsContact OD1-C 3.28Å; D64-K425 WeakPolarHBondContact OD1-CA 3.14Å; D64-K425 WeakPolarHBondContact OD2-CD 3.36Å; K339-K425 WeakPolarHBondContact CD-O 3.5Å; K339-K425 VanDerWaalsContact CE-O 3.26Å; K339-K425 WeakPolarHBondContact CE-O 3.32Å; K339-K425 PolarHBondContact NZ-O 3Å; F423-K425 PolarHBondContact O-N 3.08Å; K425-T429 HydrophobicContact CB-CG2 3.99Å; K425-T429 HydrophobicContact CD-CG2 4.14Å; K425-T429 HydrophobicContact CG-CG2 4.02Å; K425-L430 HydrophobicContact CB-CD2 4.09Å; K425-L430 HydrophobicContact CB-CG 4.1Å; K425-L430 HydrophobicContact CG-CD2 4.41Å
426	E	96.3	Very high	96.2	Very high	91 Å²	91	32.6 Å²	32.6	43%	0.425	17%	0.17	S	C	.	.			trans	-57.6	152.8	163.7	-71.8	-158.2	156.6	0	0	110.9	D64 F65 S428 T429 L430	D64-E426 PolarHBondContact OD1-N 2.7Å; F65-E426 HydrophobicContact CB-CG 3.89Å; E426-S428 VanDerWaalsContact CB-OG 3.27Å; E426-S428 WeakPolarHBondContact CB-OG 3.39Å; E426-S428 PolarHBondContact O-N 3.13Å; E426-S428 PolarHBondContact OE2-OG 3.38Å; E426-T429 PolarHBondContact O-N 3.28Å; E426-L430 PolarHBondContact O-N 2.89Å
427	D	95.1	Very high	95.9	Very high	79 Å²	79	32.3 Å²	32.3	42%	0.422	17%	0.168	S	C	.	.	H	α-helix	trans	-64.7	-33.4	179.3	-63.7	-63.4	0	0	0	111.7	K339 T429 L430 E431	K339-D427 IonicContact NZ-OD1 2.7Å; K339-D427 PolarHBondContact NZ-OD1 3.18Å; K339-D427 IonicContact NZ-OD2 3.87Å; K339-D427 PolarHBondContact NZ-OD2 2.95Å; D427-T429 PolarHBondContact O-N 2.74Å; D427-L430 PolarHBondContact O-N 3.29Å; D427-E431 WeakPolarHBondContact O-CB 3.42Å; D427-E431 WeakPolarHBondContact O-CG 3.4Å; D427-E431 PolarHBondContact O-N 3.13Å
428	S	96.6	Very high	95.5	Very high	61 Å²	61	35.3 Å²	35.3	43%	0.427	18%	0.178	S	C	.	.	H	α-helix	trans	-53.8	-46.6	170.7	54.9	0	0	0	0	113	E426 E431 A432	E426-S428 VanDerWaalsContact CB-OG 3.27Å; E426-S428 WeakPolarHBondContact CB-OG 3.39Å; E426-S428 PolarHBondContact O-N 3.13Å; E426-S428 PolarHBondContact OE2-OG 3.38Å; S428-E431 PolarHBondContact O-N 2.83Å; S428-A432 WeakPolarHBondContact O-CB 3.5Å; S428-A432 PolarHBondContact O-N 3.21Å
429	T	96.6	Very high	95.1	Very high	29 Å²	29	39.3 Å²	39.3	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-39.6	177.2	-60.4	0	0	0	0	111.8	V56 L58 D64 K425 E426 D427 A432 A433	V56-T429 HydrophobicContact CG1-CG2 4.15Å; L58-T429 HydrophobicContact CD2-CG2 4.01Å; D64-T429 WeakPolarHBondContact OD2-CB 3.49Å; D64-T429 PolarHBondContact OD2-OG1 3.15Å; K425-T429 HydrophobicContact CB-CG2 3.99Å; K425-T429 HydrophobicContact CD-CG2 4.14Å; K425-T429 HydrophobicContact CG-CG2 4.02Å; E426-T429 PolarHBondContact O-N 3.28Å; D427-T429 PolarHBondContact O-N 2.74Å; T429-A432 PolarHBondContact O-N 3.27Å; T429-A433 PolarHBondContact O-N 3.4Å; T429-A433 VanDerWaalsContact O-N 3.12Å
430	L	94.6	Very high	94.4	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-69.4	-36.2	176.8	-63.5	176.5	0	0	0	111.9	L58 K339 K425 E426 D427 A433 E434	L58-L430 HydrophobicContact CD2-CD2 4.21Å; K339-L430 HydrophobicContact CB-CD1 3.75Å; K339-L430 HydrophobicContact CD-CD1 4.12Å; K339-L430 HydrophobicContact CG-CD1 3.74Å; K425-L430 HydrophobicContact CB-CD2 4.09Å; K425-L430 HydrophobicContact CB-CG 4.1Å; K425-L430 HydrophobicContact CG-CD2 4.41Å; E426-L430 PolarHBondContact O-N 2.89Å; D427-L430 PolarHBondContact O-N 3.29Å; L430-A433 PolarHBondContact O-N 3.21Å; L430-E434 WeakPolarHBondContact O-CB 3.44Å; L430-E434 PolarHBondContact O-N 2.99Å
431	E	94.8	Very high	93.3	Very high	103 Å²	103	42 Å²	42	48%	0.481	21%	0.214	S	C	.	.	H	α-helix	trans	-67.5	-39.7	174.7	-74.3	164.5	-171	0	0	112	K342 D427 S428 A433 E434 E435	K342-E431 IonicContact NZ-OE1 2.72Å; K342-E431 PolarHBondContact NZ-OE1 3.32Å; D427-E431 WeakPolarHBondContact O-CB 3.42Å; D427-E431 WeakPolarHBondContact O-CG 3.4Å; D427-E431 PolarHBondContact O-N 3.13Å; S428-E431 PolarHBondContact O-N 2.83Å; E431-A433 VanDerWaalsContact C-N 3.32Å; E431-A433 PolarHBondContact O-N 2.9Å; E431-E434 PolarHBondContact O-N 2.89Å; E431-E435 WeakPolarHBondContact O-CB 3.49Å; E431-E435 PolarHBondContact O-N 2.93Å
432	A	96.3	Very high	91.8	Very high	41 Å²	41	48.4 Å²	48.4	34%	0.339	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-39.4	173	0	0	0	0	0	112	V56 S428 T429 I436	V56-A432 HydrophobicContact CG1-CB 4.24Å; V56-A432 HydrophobicContact CG2-CB 3.86Å; S428-A432 WeakPolarHBondContact O-CB 3.5Å; S428-A432 PolarHBondContact O-N 3.21Å; T429-A432 PolarHBondContact O-N 3.27Å; A432-I436 WeakPolarHBondContact O-CG1 3.35Å; A432-I436 PolarHBondContact O-N 3.11Å
433	A	95.6	Very high	89.9	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-69.3	-42.5	174.1	0	0	0	0	0	112.4	V56 L58 L398 T429 L430 E431 E435 I436 L437	V56-A433 HydrophobicContact CG1-CB 4.02Å; L58-A433 HydrophobicContact CD1-CB 3.61Å; L58-A433 HydrophobicContact CG-CB 4.2Å; L398-A433 HydrophobicContact CD1-CB 3.92Å; T429-A433 PolarHBondContact O-N 3.4Å; T429-A433 VanDerWaalsContact O-N 3.12Å; L430-A433 PolarHBondContact O-N 3.21Å; E431-A433 VanDerWaalsContact C-N 3.32Å; E431-A433 PolarHBondContact O-N 2.9Å; A433-E435 VanDerWaalsContact C-N 3.29Å; A433-E435 PolarHBondContact O-N 3.46Å; A433-I436 PolarHBondContact O-N 3.09Å; A433-L437 VanDerWaalsContact O-CG 3.31Å; A433-L437 WeakPolarHBondContact O-CG 3.06Å; A433-L437 PolarHBondContact O-N 3.3Å
434	E	92.8	Very high	87.6	Confident	75 Å²	75	65.5 Å²	65.5	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-57.6	-40.9	174.9	178.1	170.5	-163.8	0	0	111.7	K342 C346 L430 E431 L437 R438	K342-E434 WeakPolarHBondContact CE-OE2 3.43Å; K342-E434 IonicContact NZ-OE2 2.75Å; C346-E434 HydrophobicContact CB-CG 4.4Å; C346-E434 VanDerWaalsContact SG-CG 3.59Å; L430-E434 WeakPolarHBondContact O-CB 3.44Å; L430-E434 PolarHBondContact O-N 2.99Å; E431-E434 PolarHBondContact O-N 2.89Å; E434-L437 PolarHBondContact O-N 3.48Å; E434-R438 WeakPolarHBondContact O-CB 3.45Å; E434-R438 PolarHBondContact O-N 3.09Å
435	E	93.9	Very high	87.2	Confident	59 Å²	59	68.8 Å²	68.8	28%	0.276	34%	0.337	S	S	.	.	H	α-helix	trans	-68.3	-33.8	177.6	178.4	61.5	177.9	0	0	113.2	E431 A433 R438 K439	E431-E435 WeakPolarHBondContact O-CB 3.49Å; E431-E435 PolarHBondContact O-N 2.93Å; A433-E435 VanDerWaalsContact C-N 3.29Å; A433-E435 PolarHBondContact O-N 3.46Å; E435-R438 IonicContact OE1-NH2 2.88Å; E435-R438 PolarHBondContact OE1-NH2 3.33Å; E435-R438 IonicContact OE2-CZ 2.73Å; E435-R438 IonicContact OE2-NE 3.64Å; E435-R438 PolarHBondContact OE2-NE 3.23Å; E435-R438 IonicContact OE2-NH2 2.65Å; E435-R438 PolarHBondContact OE2-NH2 2.9Å; E435-K439 HydrophobicContact CG-CD 4.43Å; E435-K439 WeakPolarHBondContact O-CB 3.39Å; E435-K439 WeakPolarHBondContact O-CG 3.34Å; E435-K439 PolarHBondContact O-N 3.15Å; E435-K439 VanDerWaalsContact O-N 3.13Å; E435-K439 WeakPolarHBondContact OE1-CE 3.28Å; E435-K439 IonicContact OE1-NZ 2.66Å; E435-K439 PolarHBondContact OE1-NZ 2.78Å
436	I	94.3	Very high	86.6	Confident	31 Å²	31	72.1 Å²	72.1	16%	0.159	35%	0.353	C	S	.	.	H	α-helix	trans	-65.6	-47.5	172	-69.4	165	0	0	0	110.2	V56 K396 G397 L398 A432 A433 K439 W440	V56-I436 HydrophobicContact CB-CD1 4Å; V56-I436 HydrophobicContact CG2-CD1 3.6Å; K396-I436 HydrophobicContact CB-CG2 3.93Å; K396-I436 WeakPolarHBondContact O-CG2 3.17Å; G397-I436 WeakPolarHBondContact O-CD1 3.42Å; L398-I436 HydrophobicContact CB-CD1 4.3Å; L398-I436 HydrophobicContact CB-CG2 4.1Å; L398-I436 HydrophobicContact CD2-CG2 4.44Å; A432-I436 WeakPolarHBondContact O-CG1 3.35Å; A432-I436 PolarHBondContact O-N 3.11Å; A433-I436 PolarHBondContact O-N 3.09Å; I436-K439 PolarHBondContact O-N 3.48Å; I436-W440 PolarHBondContact O-N 3.44Å
437	L	89.5	Confident	86.1	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-60.8	-48.2	178.7	-68	170.4	0	0	0	110.7	C346 L347 V350 L398 A433 E434 K439 W440 S441	C346-L437 HydrophobicContact CB-CD1 3.94Å; L347-L437 HydrophobicContact CD2-CD1 4.08Å; L347-L437 HydrophobicContact CD2-CD2 4.43Å; V350-L437 VanDerWaalsContact CG1-C 3.5Å; V350-L437 HydrophobicContact CG1-CB 3.71Å; V350-L437 HydrophobicContact CG1-CD2 4.26Å; V350-L437 WeakPolarHBondContact CG1-O 3.29Å; V350-L437 HydrophobicContact CG2-CD2 3.85Å; L398-L437 HydrophobicContact CD2-CD2 3.95Å; L398-L437 HydrophobicContact CD2-CG 4.2Å; A433-L437 VanDerWaalsContact O-CG 3.31Å; A433-L437 WeakPolarHBondContact O-CG 3.06Å; A433-L437 PolarHBondContact O-N 3.3Å; E434-L437 PolarHBondContact O-N 3.48Å; L437-K439 VanDerWaalsContact C-N 3.32Å; L437-K439 PolarHBondContact O-N 3.23Å; L437-W440 HydrophobicContact CD2-CE3 4.4Å; L437-W440 WeakPolarHBondContact O-CA 3.3Å; L437-W440 VanDerWaalsContact O-CB 3.27Å; L437-W440 WeakPolarHBondContact O-CB 3.22Å; L437-W440 PolarHBondContact O-N 3.07Å; L437-S441 PolarHBondContact O-N 2.88Å
438	R	86.3	Confident	85.6	Confident	129 Å²	129	70.6 Å²	70.6	49%	0.487	35%	0.345	S	S	.	.	H	α-helix	trans	-60.1	-36.6	177.5	-172.1	177.8	72.1	144.8	6.1	113.6	E434 E435 W440 S441 Q442	E434-R438 WeakPolarHBondContact O-CB 3.45Å; E434-R438 PolarHBondContact O-N 3.09Å; E435-R438 IonicContact OE1-NH2 2.88Å; E435-R438 PolarHBondContact OE1-NH2 3.33Å; E435-R438 IonicContact OE2-CZ 2.73Å; E435-R438 IonicContact OE2-NE 3.64Å; E435-R438 PolarHBondContact OE2-NE 3.23Å; E435-R438 IonicContact OE2-NH2 2.65Å; E435-R438 PolarHBondContact OE2-NH2 2.9Å; R438-W440 VanDerWaalsContact C-N 3.25Å; R438-W440 PolarHBondContact O-N 3.34Å; R438-S441 PolarHBondContact O-OG 3.09Å; R438-Q442 WeakPolarHBondContact O-CG 3.39Å
439	K	88.3	Confident	84.9	Confident	110 Å²	110	71.2 Å²	71.2	48%	0.478	34%	0.34	S	S	.	.	H	α-helix	trans	-70.9	-20.1	174.4	-79.8	171.8	178.4	144.1	0	113.6	E435 I436 L437	E435-K439 HydrophobicContact CG-CD 4.43Å; E435-K439 WeakPolarHBondContact O-CB 3.39Å; E435-K439 WeakPolarHBondContact O-CG 3.34Å; E435-K439 PolarHBondContact O-N 3.15Å; E435-K439 VanDerWaalsContact O-N 3.13Å; E435-K439 WeakPolarHBondContact OE1-CE 3.28Å; E435-K439 IonicContact OE1-NZ 2.66Å; E435-K439 PolarHBondContact OE1-NZ 2.78Å; I436-K439 PolarHBondContact O-N 3.48Å; L437-K439 VanDerWaalsContact C-N 3.32Å; L437-K439 PolarHBondContact O-N 3.23Å
440	W	83.9	Confident	84.1	Confident	8 Å²	8	74 Å²	74	3%	0.03	35%	0.35	C	S	.	.	H	α-helix	trans	-78.2	-51.7	174.5	-173.3	-6.5	0	0	0	110.4	V370 V372 F388 W391 L392 I436 L437 R438 Q442 K443 E444	V370-W440 HydrophobicContact CG1-CH2 3.92Å; V370-W440 HydrophobicContact CG1-CZ2 3.46Å; V370-W440 VanDerWaalsContact CG1-CZ2 3.46Å; V372-W440 HydrophobicContact CG1-CZ2 3.92Å; F388-W440 HydrophobicContact CE1-CH2 4.48Å; F388-W440 AromaticContact CZ-CH2 3.81Å; F388-W440 HydrophobicContact CZ-CH2 3.81Å; W391-W440 AromaticContact CH2-CE2 3.82Å; W391-W440 AromaticContact CH2-CH2 3.89Å; W391-W440 HydrophobicContact CH2-CH2 3.89Å; W391-W440 AromaticContact CH2-CZ2 3.46Å; W391-W440 HydrophobicContact CH2-CZ2 3.46Å; W391-W440 VanDerWaalsContact CH2-CZ2 3.46Å; W391-W440 AromaticContact CZ3-CH2 3.57Å; W391-W440 HydrophobicContact CZ3-CH2 3.57Å; W391-W440 AromaticContact CZ3-CZ2 3.65Å; W391-W440 HydrophobicContact CZ3-CZ2 3.65Å; W391-W440 HydrophobicContact CZ3-CZ3 4.24Å; L392-W440 HydrophobicContact CD1-CE3 4.21Å; L392-W440 HydrophobicContact CD1-CH2 4.05Å; L392-W440 HydrophobicContact CD1-CZ3 3.47Å; L392-W440 VanDerWaalsContact CD1-CZ3 3.47Å; I436-W440 PolarHBondContact O-N 3.44Å; L437-W440 HydrophobicContact CD2-CE3 4.4Å; L437-W440 WeakPolarHBondContact O-CA 3.3Å; L437-W440 VanDerWaalsContact O-CB 3.27Å; L437-W440 WeakPolarHBondContact O-CB 3.22Å; L437-W440 PolarHBondContact O-N 3.07Å; R438-W440 VanDerWaalsContact C-N 3.25Å; R438-W440 PolarHBondContact O-N 3.34Å; W440-Q442 PolarHBondContact O-N 2.76Å; W440-K443 PolarHBondContact O-N 3.3Å; W440-E444 PolarHBondContact NE1-OE1 2.98Å
441	S	74.1	Confident	83.3	Confident	50 Å²	50	78.6 Å²	78.6	35%	0.35	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-6.5	-179.9	55.2	0	0	0	0	115.6	S349 L437 R438	S349-S441 WeakPolarHBondContact O-CB 3.48Å; L437-S441 PolarHBondContact O-N 2.88Å; R438-S441 PolarHBondContact O-OG 3.09Å
442	Q	68.2	Low	82.5	Confident	135 Å²	135	76.8 Å²	76.8	63%	0.631	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.6	174.2	-69.4	176.9	-1.6	0	0	114.1	R438 W440	R438-Q442 WeakPolarHBondContact O-CG 3.39Å; W440-Q442 PolarHBondContact O-N 2.76Å
443	K	57.9	Low	81.3	Confident	177 Å²	177	79.8 Å²	79.8	77%	0.77	37%	0.366	S	S	*	.			trans	-114.6	4.9	-176.8	-75.6	-173.8	173.8	-173	0	113.9	W440	W440-K443 PolarHBondContact O-N 3.3Å
444	E	50.9	Low	80	Confident	181 Å²	181	86.9 Å²	86.9	85%	0.846	40%	0.398	S	S	*	.			trans	-112.2	0	168.7	-68.7	173.1	-160.6	0	0	108.4	W440	W440-E444 PolarHBondContact NE1-OE1 2.98Å

Retrieved 444 of 444 residues in 612.7 ms (Link to these results)

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