A0A087Y563_POEFO Loading...

NAD(P)(+)--arginine ADP-ribosyltransferase

AlphaFold DB , UniProt , Accession A0A087Y563, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 262 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	41.3	Very low	245 Å²	245	156.5 Å²	156.5	100%	1.207	83%	0.832	S	S	*	*				0	141.1	0	-75.7	171.6	-70	0	0	108.4
2	K	36.6	Very low	41.7	Very low	211 Å²	211	164.4 Å²	164.4	92%	0.917	84%	0.842	S	S	*	*			trans	-43.6	151.1	-175.9	-58.7	166.1	174.5	177.1	0	112.1
3	A	34.5	Very low	41.8	Very low	86 Å²	86	161.8 Å²	161.8	71%	0.711	83%	0.83	S	S	*	*			cis	-171.3	150.2	36.5	0	0	0	0	0	113.1
4	K	39.1	Very low	42.2	Very low	192 Å²	192	156.7 Å²	156.7	84%	0.835	82%	0.816	S	S	*	*			trans	65.3	99.5	134.6	-71.4	178.3	178.5	-177.1	0	121.3
5	M	43.5	Very low	42.4	Very low	163 Å²	163	158.3 Å²	158.3	80%	0.803	83%	0.825	S	S	*	*			trans	-50.3	137.1	143.9	-175.9	164.6	69.5	0	0	113.2
6	F	39	Very low	42.7	Very low	187 Å²	187	154.7 Å²	154.7	82%	0.82	82%	0.815	S	S	*	*			trans	-151.9	118.6	150.2	-107.4	-80.7	0	0	0	110.9
7	L	43.7	Very low	43	Very low	153 Å²	153	151.5 Å²	151.5	80%	0.801	81%	0.807	S	S	*	*			trans	-76.1	132.6	163.8	-85.3	116.2	0	0	0	109.6
8	I	47.4	Very low	43.1	Very low	157 Å²	157	152.4 Å²	152.4	81%	0.805	81%	0.811	S	S	*	*			trans	-148	109	157	-44.7	175.2	0	0	0	104
9	G	39.2	Very low	43.3	Very low	67 Å²	67	152.5 Å²	152.5	69%	0.691	81%	0.811	S	S	*	*				94.8	83.7	54.4	0	0	0	0	0	107.9	L11	G9-L11 PolarHBondContact O-N 3.48Å
10	S	49.8	Very low	43.6	Very low	114 Å²	114	152.7 Å²	152.7	80%	0.797	81%	0.807	S	S	*	*			trans	-56	126.7	175.1	47.9	0	0	0	0	111.9
11	L	44.3	Very low	44.2	Very low	147 Å²	147	149.9 Å²	149.9	77%	0.77	81%	0.805	S	S	*	*			trans	-149.7	88	157.1	-130.9	78.9	0	0	0	109.2	G9 L13	G9-L11 PolarHBondContact O-N 3.48Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 HydrophobicContact CB-CD1 4.41Å; L11-L13 HydrophobicContact CD2-CD1 3.31Å; L11-L13 HydrophobicContact CG-CD1 3.8Å; L11-L13 PolarHBondContact O-N 3.08Å; L11-L13 VanDerWaalsContact O-N 3.08Å
12	W	45.9	Very low	44.8	Very low	251 Å²	251	145.5 Å²	145.5	95%	0.951	78%	0.782	S	S	*	*			trans	-64.3	95.9	156	-81.9	19.3	0	0	0	107.6
13	L	43.6	Very low	45.5	Very low	131 Å²	131	140.9 Å²	140.9	69%	0.686	77%	0.774	S	S	*	*			trans	-92.3	94	152.8	-91.9	100.1	0	0	0	107.4	L11 L15	L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 HydrophobicContact CB-CD1 4.41Å; L11-L13 HydrophobicContact CD2-CD1 3.31Å; L11-L13 HydrophobicContact CG-CD1 3.8Å; L11-L13 PolarHBondContact O-N 3.08Å; L11-L13 VanDerWaalsContact O-N 3.08Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 2.83Å
14	S	46.7	Very low	46.6	Very low	90 Å²	90	145.6 Å²	145.6	63%	0.629	78%	0.781	S	S	*	*			trans	-46.6	103.2	152.4	-65.6	0	0	0	0	108	C16	S14-C16 PolarHBondContact O-N 2.91Å
15	L	45.4	Very low	47.4	Very low	181 Å²	181	145 Å²	145	95%	0.948	78%	0.778	S	S	*	*			trans	-73	50.4	166.5	-147.6	81.2	0	0	0	108.9	L13	L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 2.83Å
16	C	48	Very low	49	Very low	100 Å²	100	144.6 Å²	144.6	68%	0.676	78%	0.778	S	S	*	*			trans	-116.1	125.1	178.9	-154.2	0	0	0	0	105	S14	S14-C16 PolarHBondContact O-N 2.91Å
17	C	46.7	Very low	51.2	Low	100 Å²	100	136 Å²	136	68%	0.676	74%	0.743	S	S	*	*			trans	89.6	47.6	-179.4	-53.6	0	0	0	0	117.7
18	L	45.4	Very low	53.5	Low	169 Å²	169	133.1 Å²	133.1	89%	0.885	73%	0.728	S	S	*	*			trans	-98.8	64.1	131.5	-69.4	173	0	0	0	107.9	Q20	L18-Q20 PolarHBondContact O-N 2.86Å
19	L	47.1	Very low	55.9	Low	153 Å²	153	130.1 Å²	130.1	80%	0.801	72%	0.719	S	S	*	*			trans	-59.8	92.7	153	-95.5	138.6	0	0	0	105	A21	L19-A21 PolarHBondContact O-N 2.85Å
20	Q	49.2	Very low	58.7	Low	156 Å²	156	128 Å²	128	73%	0.729	69%	0.691	S	S	*	*			trans	-56.8	101.4	162	-72.3	178.7	-21.9	0	0	105.3	L18 Q22	L18-Q20 PolarHBondContact O-N 2.86Å; Q20-Q22 VanDerWaalsContact C-N 3.31Å; Q20-Q22 PolarHBondContact O-N 2.86Å
21	A	56	Low	60.9	Low	94 Å²	94	126.7 Å²	126.7	78%	0.777	68%	0.675	S	S	*	*			trans	-54.7	105.5	167	0	0	0	0	0	105.5	L19	L19-A21 PolarHBondContact O-N 2.85Å
22	Q	49.5	Very low	63.5	Low	153 Å²	153	121.4 Å²	121.4	72%	0.715	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-56.1	129	173.1	-65.3	-68.8	-51.8	0	0	105.8	Q20 E24	Q20-Q22 VanDerWaalsContact C-N 3.31Å; Q20-Q22 PolarHBondContact O-N 2.86Å; Q22-E24 PolarHBondContact O-N 2.87Å; Q22-E24 VanDerWaalsContact O-N 3.1Å
23	P	51.2	Low	65.9	Low	115 Å²	115	109.9 Å²	109.9	75%	0.747	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-53.3	125.6	178.9	20.1	-29.9	0	0	0	108	K25	P23-K25 PolarHBondContact O-N 3.1Å
24	E	57.3	Low	68.5	Low	184 Å²	184	107.2 Å²	107.2	86%	0.86	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-52	120.8	175.6	-92.2	-173.6	150.8	0	0	107.8	Q22 I26	Q22-E24 PolarHBondContact O-N 2.87Å; Q22-E24 VanDerWaalsContact O-N 3.1Å; E24-I26 PolarHBondContact O-N 3.04Å
25	K	57.3	Low	70.9	Confident	179 Å²	179	106.5 Å²	106.5	78%	0.778	58%	0.584	S	S	*	*			trans	-59.5	105.2	176.6	-174.8	-179.6	179.1	-178.9	0	107.6	P23 G27	P23-K25 PolarHBondContact O-N 3.1Å; K25-G27 PolarHBondContact O-N 3.37Å; K25-G27 VanDerWaalsContact O-N 3.16Å
26	I	77.1	Confident	73.4	Confident	155 Å²	155	97.9 Å²	97.9	80%	0.795	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-55.8	120	174	-62	170.8	0	0	0	106.6	E24	E24-I26 PolarHBondContact O-N 3.04Å
27	G	84.3	Confident	75.8	Confident	8 Å²	8	93.1 Å²	93.1	8%	0.082	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-67	150.7	-179.3	0	0	0	0	0	111.7	K25 T160 T162	K25-G27 PolarHBondContact O-N 3.37Å; K25-G27 VanDerWaalsContact O-N 3.16Å; G27-T160 CarbonylContact C-O 3.45Å; G27-T160 WeakPolarHBondContact CA-O 3.3Å; G27-T162 PolarHBondContact O-OG1 2.77Å
28	D	92.6	Very high	78.3	Confident	92 Å²	92	88.4 Å²	88.4	49%	0.492	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	124.5	-177.2	-56.9	-45.6	0	0	0	109.8	L30 T160 L161 T162	D28-L30 PolarHBondContact O-N 3.25Å; D28-T160 PolarHBondContact N-O 3.31Å; D28-L161 HydrophobicContact CB-CD2 3.96Å; D28-L161 CarbonylContact O-C 3.44Å; D28-L161 VanDerWaalsContact O-CA 3.24Å; D28-L161 WeakPolarHBondContact O-CA 3.44Å; D28-T162 PolarHBondContact O-N 3.29Å
29	P	96.6	Very high	80.7	Confident	94 Å²	94	80.3 Å²	80.3	61%	0.61	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	134.4	-179.3	27.7	-33.4	0	0	0	110.8	T162	P29-T162 VanDerWaalsContact CA-OG1 3.3Å; P29-T162 WeakPolarHBondContact CA-OG1 3.4Å
30	L	97.9	Very high	83	Confident	21 Å²	21	75.9 Å²	75.9	11%	0.11	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-66.2	144.7	163.5	-63.5	170.6	0	0	0	108.5	D28 L161 T162 Q167 I169 F192 I225 Y241	D28-L30 PolarHBondContact O-N 3.25Å; L30-L161 HydrophobicContact CD2-CB 4.22Å; L30-L161 HydrophobicContact CD2-CD1 4.1Å; L30-L161 HydrophobicContact CG-CB 4.26Å; L30-T162 WeakPolarHBondContact CB-O 3.21Å; L30-T162 WeakPolarHBondContact CG-O 3.34Å; L30-T162 PolarHBondContact N-O 2.81Å; L30-Q167 PolarHBondContact O-NE2 2.85Å; L30-I169 HydrophobicContact CB-CB 4.3Å; L30-I169 HydrophobicContact CB-CG2 3.67Å; L30-F192 HydrophobicContact CD1-CE1 3.99Å; L30-F192 HydrophobicContact CD1-CZ 4.34Å; L30-F192 HydrophobicContact CD2-CE1 4.42Å; L30-F192 HydrophobicContact CD2-CZ 4.18Å; L30-I225 HydrophobicContact CD1-CD1 4.02Å; L30-Y241 HydrophobicContact CD1-CD2 3.99Å; L30-Y241 HydrophobicContact CD1-CE2 3.95Å; L30-Y241 HydrophobicContact CD1-CG 4.43Å
31	D	97.5	Very high	85.3	Confident	87 Å²	87	68.6 Å²	68.6	47%	0.465	37%	0.37	S	S	.	.			trans	-152.3	-171.6	179.6	67.6	14	0	0	0	111.1	A33 I169 R170	D31-A33 PolarHBondContact O-N 3.5Å; D31-A33 VanDerWaalsContact OD1-CA 3.24Å; D31-A33 WeakPolarHBondContact OD1-CA 3.45Å; D31-A33 PolarHBondContact OD1-N 2.99Å; D31-I169 CarbonylContact O-C 3.37Å; D31-I169 VanDerWaalsContact O-CA 3.28Å; D31-I169 WeakPolarHBondContact O-CA 3.35Å; D31-R170 PolarHBondContact O-N 3.49Å
32	M	97.9	Very high	87.1	Confident	36 Å²	36	67.4 Å²	67.4	18%	0.177	36%	0.357	C	S	.	.			trans	-82.1	5	176.8	-71.1	-62.9	-74.9	0	0	113.8	V34 E168 R170 T222	M32-V34 HydrophobicContact CB-CG1 4.48Å; M32-V34 PolarHBondContact O-N 3.42Å; M32-E168 VanDerWaalsContact SD-C 3.57Å; M32-E168 HydrophobicContact SD-CB 3.75Å; M32-R170 PolarHBondContact O-NE 3.16Å; M32-R170 PolarHBondContact O-NH2 3.19Å; M32-T222 HydrophobicContact CE-CG2 3.78Å
33	A	97.4	Very high	89.3	Confident	9 Å²	9	66 Å²	66	7%	0.074	36%	0.358	C	S	.	.			trans	46.8	57	179.8	0	0	0	0	0	113.1	D31 N35 S36 R170	D31-A33 PolarHBondContact O-N 3.5Å; D31-A33 VanDerWaalsContact OD1-CA 3.24Å; D31-A33 WeakPolarHBondContact OD1-CA 3.45Å; D31-A33 PolarHBondContact OD1-N 2.99Å; A33-N35 PolarHBondContact O-N 2.69Å; A33-N35 VanDerWaalsContact O-N 3.08Å; A33-S36 WeakPolarHBondContact O-CB 3.48Å; A33-S36 PolarHBondContact O-N 3.01Å; A33-R170 PolarHBondContact O-NH2 2.82Å
34	V	97.3	Very high	91.4	Very high	75 Å²	75	60.7 Å²	60.7	46%	0.455	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.8	-173.2	-62.6	0	0	0	0	113.9	M32 R122	M32-V34 HydrophobicContact CB-CG1 4.48Å; M32-V34 PolarHBondContact O-N 3.42Å; V34-R122 WeakPolarHBondContact O-CD 3.05Å; V34-R122 VanDerWaalsContact O-CZ 3.25Å; V34-R122 PolarHBondContact O-NE 3.39Å; V34-R122 PolarHBondContact O-NH2 3.34Å
35	N	97.6	Very high	93.3	Very high	76 Å²	76	53 Å²	53	41%	0.406	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	8.4	177.3	-63.6	-35.8	0	0	0	113.5	A33 R119 T120 R122	A33-N35 PolarHBondContact O-N 2.69Å; A33-N35 VanDerWaalsContact O-N 3.08Å; N35-R119 CarbonylContact C-O 3.55Å; N35-T120 CarbonylContact O-C 3.44Å; N35-T120 VanDerWaalsContact O-C 3.27Å; N35-R122 WeakPolarHBondContact O-CB 3.48Å; N35-R122 PolarHBondContact O-N 2.7Å
36	S	98.2	Very high	95.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.285	C	S	.	.			trans	-71.1	138.7	178	178.9	0	0	0	0	112.5	A33 D38 V118 G172	A33-S36 WeakPolarHBondContact O-CB 3.48Å; A33-S36 PolarHBondContact O-N 3.01Å; S36-D38 PolarHBondContact O-N 2.77Å; S36-V118 CarbonylContact C-O 3.43Å; S36-V118 WeakPolarHBondContact CA-O 3.1Å; S36-G172 VanDerWaalsContact CB-O 3.24Å; S36-G172 WeakPolarHBondContact CB-O 3.05Å; S36-G172 VanDerWaalsContact OG-C 3.28Å; S36-G172 PolarHBondContact OG-O 3.48Å
37	V	98.4	Very high	96.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.269	C	S	.	.			trans	-74.6	100.7	158.3	-179.2	0	0	0	0	107.6	V118 Y125 F129 H135 L252	V37-V118 HydrophobicContact CB-CG1 4.36Å; V37-V118 PolarHBondContact N-O 3.21Å; V37-V118 VanDerWaalsContact O-CG1 3.32Å; V37-V118 WeakPolarHBondContact O-CG1 3.39Å; V37-Y125 HydrophobicContact CB-CD2 4.34Å; V37-Y125 HydrophobicContact CG1-CD2 3.29Å; V37-Y125 HydrophobicContact CG1-CE2 3.32Å; V37-Y125 HydrophobicContact CG1-CG 4.12Å; V37-Y125 HydrophobicContact CG2-CD2 4.08Å; V37-F129 HydrophobicContact CB-CE2 4.35Å; V37-F129 HydrophobicContact CB-CZ 4.36Å; V37-F129 HydrophobicContact CG1-CE1 4.29Å; V37-F129 HydrophobicContact CG1-CZ 4.17Å; V37-F129 HydrophobicContact CG2-CD2 3.93Å; V37-F129 HydrophobicContact CG2-CE2 3.76Å; V37-F129 HydrophobicContact CG2-CZ 4.21Å; V37-H135 PolarHBondContact O-NE2 2.81Å; V37-H135 VanDerWaalsContact O-NE2 3.13Å; V37-L252 HydrophobicContact CB-CD1 4.17Å; V37-L252 HydrophobicContact CG1-CD1 3.87Å; V37-L252 HydrophobicContact CG2-CD1 4.41Å
38	D	97.6	Very high	96.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.265	C	S	.	.			trans	-122.4	24.8	-168.1	56.9	16.9	0	0	0	112.7	S36 R40 R170 P219 S250 N251 L252	S36-D38 PolarHBondContact O-N 2.77Å; D38-R40 PolarHBondContact O-N 3.04Å; D38-R170 VanDerWaalsContact CG-NH1 3.35Å; D38-R170 IonicContact OD2-CZ 2.72Å; D38-R170 IonicContact OD2-NH1 3.73Å; D38-R170 PolarHBondContact OD2-NH1 3.03Å; D38-R170 IonicContact OD2-NH2 3.03Å; D38-R170 PolarHBondContact OD2-NH2 2.88Å; D38-P219 HydrophobicContact CB-CB 4.48Å; D38-S250 PolarHBondContact O-OG 3.42Å; D38-S250 PolarHBondContact OD1-OG 3.19Å; D38-N251 PolarHBondContact OD1-N 3.49Å; D38-N251 PolarHBondContact OD2-N 2.87Å; D38-N251 PolarHBondContact OD2-ND2 3.48Å; D38-L252 WeakPolarHBondContact OD1-CB 3.43Å; D38-L252 PolarHBondContact OD1-N 3.14Å
39	D	97.3	Very high	96.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.254	C	S	.	.			trans	-63.5	130.9	-173.1	-157.9	-31.3	0	0	0	112.2	Y41 Y125 H135 L252 N253 C254	D39-Y41 HydrophobicContact CB-CD1 4.48Å; D39-Y41 HydrophobicContact CB-CE1 4Å; D39-Y41 HydrophobicContact CB-CE2 4.42Å; D39-Y41 PolarHBondContact OD1-N 2.94Å; D39-Y125 HydrophobicContact CB-CE1 4.07Å; D39-Y125 VanDerWaalsContact CB-OH 3.31Å; D39-Y125 WeakPolarHBondContact CB-OH 3.49Å; D39-Y125 WeakPolarHBondContact OD2-CE1 3.46Å; D39-Y125 PolarHBondContact OD2-OH 2.96Å; D39-H135 PolarHBondContact O-CE1 3.39Å; D39-L252 VanDerWaalsContact CA-O 3.28Å; D39-L252 WeakPolarHBondContact CA-O 3.12Å; D39-L252 HydrophobicContact CB-CB 3.93Å; D39-N253 WeakPolarHBondContact OD1-CA 3.37Å; D39-C254 PolarHBondContact OD1-N 3.49Å; D39-C254 PolarHBondContact OD2-N 2.9Å
40	R	95.6	Very high	97	Very high	60 Å²	60	41.7 Å²	41.7	23%	0.226	25%	0.249	C	C	.	.			trans	-101.1	-12.4	-176.4	-64.2	-175.5	67.8	-143.7	-2.4	113.3	D38 S42 Q143 Y220	D38-R40 PolarHBondContact O-N 3.04Å; R40-S42 PolarHBondContact O-N 2.83Å; R40-Q143 PolarHBondContact O-NE2 2.72Å; R40-Y220 HydrophobicContact CB-CD1 4.46Å; R40-Y220 HydrophobicContact CB-CE1 4.43Å; R40-Y220 VanDerWaalsContact CD-CG 3.45Å; R40-Y220 HydrophobicContact CG-CD1 3.32Å; R40-Y220 HydrophobicContact CG-CD2 3.91Å; R40-Y220 HydrophobicContact CG-CE1 3.67Å; R40-Y220 HydrophobicContact CG-CE2 4.25Å; R40-Y220 HydrophobicContact CG-CG 3.41Å; R40-Y220 VanDerWaalsContact CG-CG 3.41Å; R40-Y220 VanDerWaalsContact NE-CD2 3.25Å; R40-Y220 VanDerWaalsContact NE-CE2 3.34Å
41	Y	96.7	Very high	96.9	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.008	25%	0.248	C	C	.	.			trans	53.4	35.8	-177.6	-47.5	-70.5	0	0	0	113.6	D39 T43 C44 A45 M48 Y125 H135 F136 T139	D39-Y41 HydrophobicContact CB-CD1 4.48Å; D39-Y41 HydrophobicContact CB-CE1 4Å; D39-Y41 HydrophobicContact CB-CE2 4.42Å; D39-Y41 PolarHBondContact OD1-N 2.94Å; Y41-T43 VanDerWaalsContact C-N 3.25Å; Y41-T43 PolarHBondContact O-N 3.48Å; Y41-T43 VanDerWaalsContact O-N 3.14Å; Y41-C44 PolarHBondContact O-N 2.84Å; Y41-A45 PolarHBondContact O-N 3.39Å; Y41-M48 HydrophobicContact CD1-CB 4.03Å; Y41-M48 HydrophobicContact CD1-CG 3.67Å; Y41-M48 HydrophobicContact CE1-CB 4.39Å; Y41-M48 HydrophobicContact CE1-CE 4.01Å; Y41-M48 HydrophobicContact CE1-CG 3.54Å; Y41-M48 HydrophobicContact CE1-SD 4.1Å; Y41-Y125 WeakPolarHBondContact CE1-OH 3.3Å; Y41-Y125 PolarHBondContact OH-OH 3Å; Y41-H135 AromaticContact CE2-ND1 3.69Å; Y41-H135 AromaticContact CZ-ND1 3.61Å; Y41-H135 PolarHBondContact OH-ND1 3.15Å; Y41-F136 AromaticContact CD1-CD2 4Å; Y41-F136 HydrophobicContact CD1-CD2 4Å; Y41-F136 HydrophobicContact CD1-CE2 4.43Å; Y41-F136 AromaticContact CD2-CD2 3.73Å; Y41-F136 HydrophobicContact CD2-CD2 3.73Å; Y41-F136 HydrophobicContact CD2-CE2 4.24Å; Y41-F136 AromaticContact CE1-CD2 3.98Å; Y41-F136 HydrophobicContact CE1-CD2 3.98Å; Y41-F136 HydrophobicContact CE2-CB 4.17Å; Y41-F136 AromaticContact CE2-CD2 3.72Å; Y41-F136 HydrophobicContact CE2-CD2 3.72Å; Y41-F136 HydrophobicContact CE2-CG 4.42Å; Y41-F136 AromaticContact CG-CD2 3.84Å; Y41-F136 HydrophobicContact CG-CD2 3.84Å; Y41-F136 HydrophobicContact CG-CE2 4.09Å; Y41-F136 AromaticContact CZ-CD2 3.8Å; Y41-T139 HydrophobicContact CD2-CG2 3.84Å; Y41-T139 HydrophobicContact CE2-CG2 4.05Å
42	S	93.4	Very high	96.9	Very high	70 Å²	70	37.6 Å²	37.6	49%	0.49	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.5	-165.6	57.6	0	0	0	0	114.3	R40 N253	R40-S42 PolarHBondContact O-N 2.83Å; S42-N253 PolarHBondContact N-OD1 3.31Å; S42-N253 PolarHBondContact OG-ND2 2.83Å; S42-N253 PolarHBondContact OG-OD1 2.6Å
43	T	95.4	Very high	96.8	Very high	122 Å²	122	40.3 Å²	40.3	75%	0.748	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.3	-1.1	-176.9	55.7	0	0	0	0	113.8	Y41	Y41-T43 VanDerWaalsContact C-N 3.25Å; Y41-T43 PolarHBondContact O-N 3.48Å; Y41-T43 VanDerWaalsContact O-N 3.14Å
44	C	96.8	Very high	96.7	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.027	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	14.5	-170.4	63	0	0	0	0	113.9	Y41 A46 Q47 M48 C254 A257	Y41-C44 PolarHBondContact O-N 2.84Å; C44-A46 VanDerWaalsContact C-N 3.28Å; C44-A46 PolarHBondContact O-N 2.75Å; C44-Q47 HydrophobicContact CB-CB 4.48Å; C44-Q47 PolarHBondContact O-N 2.92Å; C44-Q47 VanDerWaalsContact O-N 3.07Å; C44-M48 WeakPolarHBondContact O-CB 3.37Å; C44-M48 PolarHBondContact O-N 3.08Å; C44-C254 HydrophobicContact CB-CB 3.58Å; C44-C254 WeakPolarHBondContact CB-SG 3.32Å; C44-C254 PolarHBondContact N-SG 2.9Å; C44-C254 VanDerWaalsContact N-SG 3.39Å; C44-C254 WeakPolarHBondContact SG-CA 3.41Å; C44-C254 WeakPolarHBondContact SG-CB 2.95Å; C44-C254 CovalentContact SG-SG 2.02Å; C44-C254 PolarHBondContact SG-SG 3.2Å; C44-A257 HydrophobicContact CB-CB 3.58Å
45	A	96.3	Very high	96.6	Very high	22 Å²	22	45.9 Å²	45.9	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-51.4	-44.7	-174.2	0	0	0	0	0	113.3	Y41 E49 F136	Y41-A45 PolarHBondContact O-N 3.39Å; A45-E49 WeakPolarHBondContact O-CB 3.5Å; A45-E49 PolarHBondContact O-N 3.43Å; A45-F136 WeakPolarHBondContact O-CZ 3.35Å
46	A	96.2	Very high	96.5	Very high	77 Å²	77	42.5 Å²	42.5	64%	0.636	24%	0.239	S	C	*	.	H	α-helix	trans	-67.2	-42.7	178.5	0	0	0	0	0	113	C44 E49 A50	C44-A46 VanDerWaalsContact C-N 3.28Å; C44-A46 PolarHBondContact O-N 2.75Å; A46-E49 PolarHBondContact O-N 2.84Å; A46-A50 PolarHBondContact O-N 2.81Å
47	Q	96.6	Very high	96.5	Very high	100 Å²	100	44.6 Å²	44.6	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-45.1	177.7	-68.3	167.3	-15.6	0	0	110.9	C44 E49 A50 K51 A257 N258	C44-Q47 HydrophobicContact CB-CB 4.48Å; C44-Q47 PolarHBondContact O-N 2.92Å; C44-Q47 VanDerWaalsContact O-N 3.07Å; Q47-E49 VanDerWaalsContact C-N 3.35Å; Q47-A50 PolarHBondContact O-N 3.34Å; Q47-K51 WeakPolarHBondContact O-CB 3.3Å; Q47-K51 PolarHBondContact O-N 2.7Å; Q47-A257 HydrophobicContact CB-CB 4.42Å; Q47-N258 PolarHBondContact OE1-OD1 2.84Å
48	M	97.4	Very high	96.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-38.2	177.3	-171.3	64.7	-175.8	0	0	111.3	Y41 C44 A50 K51 V52 Y56 H132 F136 V256 A257	Y41-M48 HydrophobicContact CD1-CB 4.03Å; Y41-M48 HydrophobicContact CD1-CG 3.67Å; Y41-M48 HydrophobicContact CE1-CB 4.39Å; Y41-M48 HydrophobicContact CE1-CE 4.01Å; Y41-M48 HydrophobicContact CE1-CG 3.54Å; Y41-M48 HydrophobicContact CE1-SD 4.1Å; C44-M48 WeakPolarHBondContact O-CB 3.37Å; C44-M48 PolarHBondContact O-N 3.08Å; M48-A50 PolarHBondContact O-N 3.38Å; M48-K51 PolarHBondContact O-N 2.84Å; M48-V52 HydrophobicContact CE-CG2 3.8Å; M48-V52 HydrophobicContact CG-CG2 4.24Å; M48-V52 WeakPolarHBondContact O-CB 3.24Å; M48-V52 VanDerWaalsContact O-CG2 3.25Å; M48-V52 WeakPolarHBondContact O-CG2 3.1Å; M48-V52 PolarHBondContact O-N 2.86Å; M48-V52 HydrophobicContact SD-CG2 4.48Å; M48-Y56 HydrophobicContact CE-CD2 3.97Å; M48-Y56 HydrophobicContact CE-CE2 3.68Å; M48-Y56 HydrophobicContact SD-CE2 4.3Å; M48-H132 HydrophobicContact CE-CB 4.35Å; M48-F136 HydrophobicContact CB-CD2 3.89Å; M48-F136 HydrophobicContact CB-CE2 3.7Å; M48-F136 HydrophobicContact CB-CZ 4.45Å; M48-F136 HydrophobicContact CG-CB 4.49Å; M48-F136 HydrophobicContact CG-CD2 3.36Å; M48-F136 HydrophobicContact CG-CE2 3.74Å; M48-F136 HydrophobicContact CG-CG 3.98Å; M48-V256 HydrophobicContact CE-CG2 3.6Å; M48-V256 HydrophobicContact SD-CG2 3.77Å; M48-A257 HydrophobicContact CB-CB 4.44Å
49	E	97.8	Very high	96.3	Very high	54 Å²	54	55.7 Å²	55.7	25%	0.252	30%	0.295	S	S	.	.	H	α-helix	trans	-60.5	-46.7	174.5	-171.5	171.8	178.2	0	0	111.7	A45 A46 Q47 K51 V52 K53 F136	A45-E49 WeakPolarHBondContact O-CB 3.5Å; A45-E49 PolarHBondContact O-N 3.43Å; A46-E49 PolarHBondContact O-N 2.84Å; Q47-E49 VanDerWaalsContact C-N 3.35Å; E49-K51 VanDerWaalsContact C-N 3.31Å; E49-K51 PolarHBondContact O-N 2.96Å; E49-V52 PolarHBondContact O-N 2.91Å; E49-K53 HydrophobicContact CG-CD 4.18Å; E49-K53 WeakPolarHBondContact O-CG 3.19Å; E49-K53 PolarHBondContact O-N 3.01Å; E49-K53 WeakPolarHBondContact OE1-CE 3.39Å; E49-K53 IonicContact OE1-NZ 3.31Å; E49-K53 PolarHBondContact OE1-NZ 2.76Å; E49-F136 HydrophobicContact CB-CE1 3.65Å; E49-F136 HydrophobicContact CB-CZ 3.59Å; E49-F136 HydrophobicContact CG-CE1 3.91Å; E49-F136 HydrophobicContact CG-CZ 4.31Å
50	A	96.8	Very high	96.3	Very high	61 Å²	61	56.1 Å²	56.1	50%	0.504	30%	0.297	S	S	.	.	H	α-helix	trans	-59.9	-44	177	0	0	0	0	0	111.3	A46 Q47 M48 K53 K54	A46-A50 PolarHBondContact O-N 2.81Å; Q47-A50 PolarHBondContact O-N 3.34Å; M48-A50 PolarHBondContact O-N 3.38Å; A50-K53 PolarHBondContact O-N 3.42Å; A50-K54 VanDerWaalsContact O-CB 3.28Å; A50-K54 WeakPolarHBondContact O-CB 3.38Å; A50-K54 PolarHBondContact O-N 3.41Å
51	K	96	Very high	96.4	Very high	22 Å²	22	55.7 Å²	55.7	10%	0.096	30%	0.298	C	S	.	.	H	α-helix	trans	-67.9	-38.6	178.3	-171.1	172.3	177.3	-177.7	0	112.9	Q47 M48 E49 T55 Y56 V256 Q259	Q47-K51 WeakPolarHBondContact O-CB 3.3Å; Q47-K51 PolarHBondContact O-N 2.7Å; M48-K51 PolarHBondContact O-N 2.84Å; E49-K51 VanDerWaalsContact C-N 3.31Å; E49-K51 PolarHBondContact O-N 2.96Å; K51-T55 WeakPolarHBondContact O-CA 3.32Å; K51-T55 WeakPolarHBondContact O-CB 3.38Å; K51-T55 PolarHBondContact O-N 3.07Å; K51-Y56 HydrophobicContact CD-CE2 3.8Å; K51-Y56 HydrophobicContact CG-CD2 4.08Å; K51-Y56 HydrophobicContact CG-CE2 3.8Å; K51-Y56 PolarHBondContact NZ-OH 3.27Å; K51-Y56 PolarHBondContact O-N 2.88Å; K51-V256 VanDerWaalsContact CD-O 3.28Å; K51-V256 WeakPolarHBondContact CD-O 3.37Å; K51-V256 WeakPolarHBondContact CE-O 3.44Å; K51-V256 PolarHBondContact NZ-O 3.46Å; K51-Q259 WeakPolarHBondContact CE-O 3.45Å; K51-Q259 PolarHBondContact NZ-O 3.44Å
52	V	97.5	Very high	96.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.336	C	S	.	.	I	π-helix	trans	-59.6	-52.6	173.7	164	0	0	0	0	109.9	M48 E49 K54 Y56 F57 F136 W137	M48-V52 HydrophobicContact CE-CG2 3.8Å; M48-V52 HydrophobicContact CG-CG2 4.24Å; M48-V52 WeakPolarHBondContact O-CB 3.24Å; M48-V52 VanDerWaalsContact O-CG2 3.25Å; M48-V52 WeakPolarHBondContact O-CG2 3.1Å; M48-V52 PolarHBondContact O-N 2.86Å; M48-V52 HydrophobicContact SD-CG2 4.48Å; E49-V52 PolarHBondContact O-N 2.91Å; V52-K54 PolarHBondContact O-N 3.27Å; V52-Y56 HydrophobicContact CG2-CD2 4.11Å; V52-Y56 PolarHBondContact O-N 3.39Å; V52-F57 HydrophobicContact CG1-CB 4.46Å; V52-F57 WeakPolarHBondContact O-CB 3.25Å; V52-F57 PolarHBondContact O-N 2.99Å; V52-F136 HydrophobicContact CB-CD1 4.27Å; V52-F136 HydrophobicContact CG1-CD1 4.4Å; V52-F136 HydrophobicContact CG2-CB 3.83Å; V52-F136 HydrophobicContact CG2-CD1 3.91Å; V52-F136 HydrophobicContact CG2-CG 3.9Å; V52-W137 HydrophobicContact CG1-CD2 4.22Å; V52-W137 HydrophobicContact CG1-CE3 4.45Å; V52-W137 HydrophobicContact CG1-CH2 3.78Å; V52-W137 HydrophobicContact CG1-CZ2 3.46Å; V52-W137 VanDerWaalsContact CG1-CZ2 3.46Å; V52-W137 HydrophobicContact CG1-CZ3 4.26Å
53	K	96.9	Very high	96.2	Very high	92 Å²	92	64.7 Å²	64.7	40%	0.4	33%	0.332	S	S	.	.	I	π-helix	trans	-63.6	-40.3	-177.7	-73.8	176.9	170.7	169.5	0	113.1	E49 A50 D94 W137	E49-K53 HydrophobicContact CG-CD 4.18Å; E49-K53 WeakPolarHBondContact O-CG 3.19Å; E49-K53 PolarHBondContact O-N 3.01Å; E49-K53 WeakPolarHBondContact OE1-CE 3.39Å; E49-K53 IonicContact OE1-NZ 3.31Å; E49-K53 PolarHBondContact OE1-NZ 2.76Å; A50-K53 PolarHBondContact O-N 3.42Å; K53-D94 VanDerWaalsContact CE-OD2 3.27Å; K53-D94 WeakPolarHBondContact CE-OD2 3.42Å; K53-D94 IonicContact NZ-OD2 2.77Å; K53-W137 HydrophobicContact CG-CZ2 4.24Å
54	K	95.1	Very high	96	Very high	160 Å²	160	63.5 Å²	63.5	70%	0.696	32%	0.321	S	S	*	.	I	π-helix	trans	-85.9	-23.6	-175.1	-173.9	174.9	177.1	-177.2	0	114.3	A50 V52	A50-K54 VanDerWaalsContact O-CB 3.28Å; A50-K54 WeakPolarHBondContact O-CB 3.38Å; A50-K54 PolarHBondContact O-N 3.41Å; V52-K54 PolarHBondContact O-N 3.27Å
55	T	94.9	Very high	95.6	Very high	42 Å²	42	67 Å²	67	26%	0.258	34%	0.342	S	S	.	.	I	π-helix	trans	-136.1	-54.2	-167.2	-52.3	0	0	0	0	114	K51 R59 I261	K51-T55 WeakPolarHBondContact O-CA 3.32Å; K51-T55 WeakPolarHBondContact O-CB 3.38Å; K51-T55 PolarHBondContact O-N 3.07Å; T55-R59 WeakPolarHBondContact O-CB 3.12Å; T55-R59 PolarHBondContact O-N 2.95Å; T55-I261 HydrophobicContact CG2-CB 4.36Å; T55-I261 HydrophobicContact CG2-CD1 3.59Å
56	Y	96.6	Very high	95.5	Very high	5 Å²	5	66.1 Å²	66.1	2%	0.02	33%	0.334	C	S	.	.	I	π-helix	trans	-70.6	-48.3	-176.5	-68.2	-63.3	0	0	0	111.5	M48 K51 V52 E58 R59 E60 H132 V256 I261	M48-Y56 HydrophobicContact CE-CD2 3.97Å; M48-Y56 HydrophobicContact CE-CE2 3.68Å; M48-Y56 HydrophobicContact SD-CE2 4.3Å; K51-Y56 HydrophobicContact CD-CE2 3.8Å; K51-Y56 HydrophobicContact CG-CD2 4.08Å; K51-Y56 HydrophobicContact CG-CE2 3.8Å; K51-Y56 PolarHBondContact NZ-OH 3.27Å; K51-Y56 PolarHBondContact O-N 2.88Å; V52-Y56 HydrophobicContact CG2-CD2 4.11Å; V52-Y56 PolarHBondContact O-N 3.39Å; Y56-E58 PolarHBondContact O-N 2.76Å; Y56-R59 WeakPolarHBondContact O-CB 3.26Å; Y56-R59 PolarHBondContact O-N 2.92Å; Y56-E60 WeakPolarHBondContact O-CB 3.47Å; Y56-E60 VanDerWaalsContact O-CG 3.25Å; Y56-E60 WeakPolarHBondContact O-CG 3.39Å; Y56-E60 PolarHBondContact O-N 2.79Å; Y56-H132 HydrophobicContact CD1-CB 3.66Å; Y56-H132 AromaticContact CD1-CG 3.49Å; Y56-H132 VanDerWaalsContact CD1-CG 3.49Å; Y56-H132 AromaticContact CD1-ND1 3.38Å; Y56-H132 WeakPolarHBondContact CD1-ND1 3.29Å; Y56-H132 HydrophobicContact CD2-CB 3.78Å; Y56-H132 HydrophobicContact CE1-CB 4.08Å; Y56-H132 AromaticContact CE1-CD2 3.71Å; Y56-H132 AromaticContact CE1-CE1 3.52Å; Y56-H132 AromaticContact CE1-CG 3.47Å; Y56-H132 VanDerWaalsContact CE1-CG 3.47Å; Y56-H132 AromaticContact CE1-ND1 3.35Å; Y56-H132 WeakPolarHBondContact CE1-ND1 3.32Å; Y56-H132 AromaticContact CE1-NE2 3.73Å; Y56-H132 HydrophobicContact CE2-CB 4.19Å; Y56-H132 HydrophobicContact CG-CB 3.5Å; Y56-H132 VanDerWaalsContact CG-CB 3.5Å; Y56-H132 AromaticContact CG-CG 3.85Å; Y56-H132 AromaticContact CZ-CD2 3.66Å; Y56-H132 AromaticContact CZ-CG 3.79Å; Y56-H132 AromaticContact CZ-NE2 3.89Å; Y56-V256 HydrophobicContact CE2-CG2 4.25Å; Y56-V256 WeakPolarHBondContact OH-CB 3.48Å; Y56-I261 HydrophobicContact CD1-CD1 4.18Å; Y56-I261 HydrophobicContact CE1-CD1 3.49Å; Y56-I261 VanDerWaalsContact CE1-CD1 3.49Å; Y56-I261 HydrophobicContact CE2-CD1 4.24Å
57	F	97.6	Very high	95.5	Very high	44 Å²	44	63.3 Å²	63.3	19%	0.193	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-45.1	-175.5	-175.6	-112.5	0	0	0	111.9	V52 R59 E60 M61 F66 W70 S133 W137	V52-F57 HydrophobicContact CG1-CB 4.46Å; V52-F57 WeakPolarHBondContact O-CB 3.25Å; V52-F57 PolarHBondContact O-N 2.99Å; F57-R59 VanDerWaalsContact C-N 3.28Å; F57-R59 PolarHBondContact O-N 3Å; F57-E60 PolarHBondContact O-N 3.03Å; F57-M61 HydrophobicContact CD1-CG 4.22Å; F57-M61 HydrophobicContact CD2-CG 4.1Å; F57-M61 HydrophobicContact CE1-CG 3.86Å; F57-M61 HydrophobicContact CE2-CG 3.74Å; F57-M61 HydrophobicContact CE2-SD 3.78Å; F57-M61 HydrophobicContact CG-CG 4.33Å; F57-M61 HydrophobicContact CZ-CG 3.59Å; F57-M61 HydrophobicContact CZ-SD 3.71Å; F57-M61 WeakPolarHBondContact O-CB 3.24Å; F57-M61 WeakPolarHBondContact O-CG 3.28Å; F57-M61 PolarHBondContact O-N 2.69Å; F57-F66 AromaticContact CD2-CE1 3.91Å; F57-F66 HydrophobicContact CD2-CE1 3.91Å; F57-F66 HydrophobicContact CD2-CZ 4.22Å; F57-F66 AromaticContact CE2-CE1 3.77Å; F57-F66 HydrophobicContact CE2-CE1 3.77Å; F57-F66 HydrophobicContact CE2-CZ 4.24Å; F57-W70 AromaticContact CE2-CD1 3.83Å; F57-W70 AromaticContact CE2-CD2 3.83Å; F57-W70 HydrophobicContact CE2-CD2 3.83Å; F57-W70 AromaticContact CE2-CE2 3.54Å; F57-W70 HydrophobicContact CE2-CE3 4.5Å; F57-W70 HydrophobicContact CE2-CG 4.03Å; F57-W70 HydrophobicContact CE2-CZ2 4.02Å; F57-W70 AromaticContact CE2-NE1 3.53Å; F57-W70 AromaticContact CZ-CD1 3.65Å; F57-W70 HydrophobicContact CZ-CD2 4.36Å; F57-W70 AromaticContact CZ-CE2 3.77Å; F57-W70 HydrophobicContact CZ-CG 4.31Å; F57-W70 HydrophobicContact CZ-CZ2 4.35Å; F57-W70 AromaticContact CZ-NE1 3.28Å; F57-W70 VanDerWaalsContact CZ-NE1 3.28Å; F57-S133 WeakPolarHBondContact CA-OG 3.21Å; F57-S133 PolarHBondContact N-OG 2.96Å; F57-S133 VanDerWaalsContact N-OG 3.13Å; F57-W137 HydrophobicContact CB-CH2 3.96Å; F57-W137 HydrophobicContact CD1-CH2 4.27Å; F57-W137 AromaticContact CD2-CH2 3.42Å; F57-W137 HydrophobicContact CD2-CH2 3.42Å; F57-W137 VanDerWaalsContact CD2-CH2 3.42Å; F57-W137 AromaticContact CD2-CZ3 3.45Å; F57-W137 HydrophobicContact CD2-CZ3 3.45Å; F57-W137 VanDerWaalsContact CD2-CZ3 3.45Å; F57-W137 AromaticContact CE2-CH2 3.93Å; F57-W137 HydrophobicContact CE2-CH2 3.93Å; F57-W137 AromaticContact CE2-CZ3 3.81Å; F57-W137 HydrophobicContact CE2-CZ3 3.81Å; F57-W137 AromaticContact CG-CH2 3.61Å; F57-W137 HydrophobicContact CG-CH2 3.61Å; F57-W137 HydrophobicContact CG-CZ3 4.13Å
58	E	96.4	Very high	95.4	Very high	123 Å²	123	64.7 Å²	64.7	58%	0.575	32%	0.315	S	S	*	.	H	α-helix	trans	-59.1	-38.9	176.1	-66.4	-173.9	176.4	0	0	112.7	Y56	Y56-E58 PolarHBondContact O-N 2.76Å
59	R	95.8	Very high	95.2	Very high	109 Å²	109	65.6 Å²	65.6	41%	0.411	32%	0.322	S	S	.	.	H	α-helix	trans	-70.6	-48.4	177.1	-176.8	-166.8	-45.1	-149.3	-11	111.6	T55 Y56 F57 M61 K62	T55-R59 WeakPolarHBondContact O-CB 3.12Å; T55-R59 PolarHBondContact O-N 2.95Å; Y56-R59 WeakPolarHBondContact O-CB 3.26Å; Y56-R59 PolarHBondContact O-N 2.92Å; F57-R59 VanDerWaalsContact C-N 3.28Å; F57-R59 PolarHBondContact O-N 3Å; R59-M61 VanDerWaalsContact C-N 3.27Å; R59-M61 PolarHBondContact O-N 3.13Å; R59-K62 WeakPolarHBondContact O-CB 3.15Å; R59-K62 PolarHBondContact O-N 3.11Å
60	E	96.4	Very high	95.2	Very high	10 Å²	10	63.5 Å²	63.5	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-31.4	-178.6	-70.6	171.3	-175.3	0	0	111.5	Y56 F57 K62 N63 F66 P130 H132 S133	Y56-E60 WeakPolarHBondContact O-CB 3.47Å; Y56-E60 VanDerWaalsContact O-CG 3.25Å; Y56-E60 WeakPolarHBondContact O-CG 3.39Å; Y56-E60 PolarHBondContact O-N 2.79Å; F57-E60 PolarHBondContact O-N 3.03Å; E60-K62 PolarHBondContact O-N 3.31Å; E60-N63 VanDerWaalsContact O-CB 3.26Å; E60-N63 WeakPolarHBondContact O-CB 3.36Å; E60-N63 PolarHBondContact O-N 2.96Å; E60-F66 HydrophobicContact CB-CD1 3.76Å; E60-F66 HydrophobicContact CB-CD2 4.47Å; E60-F66 HydrophobicContact CB-CE1 3.97Å; E60-F66 HydrophobicContact CB-CG 4.03Å; E60-F66 HydrophobicContact CB-CZ 4.41Å; E60-P130 WeakPolarHBondContact CG-O 3.31Å; E60-H132 WeakPolarHBondContact OE1-CA 3.42Å; E60-H132 WeakPolarHBondContact OE1-CB 3.45Å; E60-H132 PolarHBondContact OE1-N 2.88Å; E60-H132 IonicContact OE1-ND1 2.64Å; E60-S133 PolarHBondContact OE1-N 3.37Å; E60-S133 WeakPolarHBondContact OE2-CB 3.38Å; E60-S133 PolarHBondContact OE2-N 2.83Å; E60-S133 VanDerWaalsContact OE2-N 3.15Å; E60-S133 PolarHBondContact OE2-OG 2.93Å
61	M	97	Very high	95.1	Very high	50 Å²	50	65.2 Å²	65.2	25%	0.246	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.1	173.3	-74	-60.7	-65.2	0	0	114	F57 R59 N63 F66 S67 W70	F57-M61 HydrophobicContact CD1-CG 4.22Å; F57-M61 HydrophobicContact CD2-CG 4.1Å; F57-M61 HydrophobicContact CE1-CG 3.86Å; F57-M61 HydrophobicContact CE2-CG 3.74Å; F57-M61 HydrophobicContact CE2-SD 3.78Å; F57-M61 HydrophobicContact CG-CG 4.33Å; F57-M61 HydrophobicContact CZ-CG 3.59Å; F57-M61 HydrophobicContact CZ-SD 3.71Å; F57-M61 WeakPolarHBondContact O-CB 3.24Å; F57-M61 WeakPolarHBondContact O-CG 3.28Å; F57-M61 PolarHBondContact O-N 2.69Å; R59-M61 VanDerWaalsContact C-N 3.27Å; R59-M61 PolarHBondContact O-N 3.13Å; M61-N63 VanDerWaalsContact C-N 3.3Å; M61-F66 HydrophobicContact CG-CE1 4.37Å; M61-F66 HydrophobicContact SD-CD1 3.9Å; M61-F66 HydrophobicContact SD-CE1 3.85Å; M61-S67 VanDerWaalsContact O-CB 3.23Å; M61-S67 WeakPolarHBondContact O-CB 3.27Å; M61-W70 HydrophobicContact SD-CB 4.05Å; M61-W70 HydrophobicContact SD-CG 4.11Å
62	K	96.1	Very high	95.1	Very high	184 Å²	184	68.2 Å²	68.2	80%	0.8	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.5	169.3	-60	174.5	-175.8	177.6	0	112.1	R59 E60	R59-K62 WeakPolarHBondContact O-CB 3.15Å; R59-K62 PolarHBondContact O-N 3.11Å; E60-K62 PolarHBondContact O-N 3.31Å
63	N	91.3	Very high	95	Very high	78 Å²	78	68.5 Å²	68.5	42%	0.417	34%	0.344	S	S	.	.	S	Bend	trans	-80.3	123.6	174.2	-177.7	-66.4	0	0	0	110	E60 M61 V65 F66 S67	E60-N63 VanDerWaalsContact O-CB 3.26Å; E60-N63 WeakPolarHBondContact O-CB 3.36Å; E60-N63 PolarHBondContact O-N 2.96Å; M61-N63 VanDerWaalsContact C-N 3.3Å; N63-V65 VanDerWaalsContact C-N 3.26Å; N63-V65 PolarHBondContact O-N 3.47Å; N63-V65 WeakPolarHBondContact OD1-CA 2.96Å; N63-V65 VanDerWaalsContact OD1-CB 3.29Å; N63-V65 WeakPolarHBondContact OD1-CB 3.29Å; N63-V65 PolarHBondContact OD1-N 3.45Å; N63-F66 HydrophobicContact CB-CB 4.4Å; N63-F66 PolarHBondContact O-N 2.02Å; N63-F66 PolarHBondContact OD1-N 3.37Å; N63-S67 WeakPolarHBondContact O-CB 3.3Å; N63-S67 PolarHBondContact O-N 2.88Å; N63-S67 PolarHBondContact O-OG 3.13Å
64	N	89.9	Confident	95	Very high	96 Å²	96	69.2 Å²	69.2	51%	0.513	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-32	-176.3	-167.7	32.6	0	0	0	113.7	K68	N64-K68 PolarHBondContact ND2-NZ 3.44Å; N64-K68 VanDerWaalsContact O-CB 3.23Å; N64-K68 WeakPolarHBondContact O-CB 3.36Å; N64-K68 WeakPolarHBondContact O-CD 3.02Å; N64-K68 WeakPolarHBondContact O-CG 3.45Å; N64-K68 PolarHBondContact O-N 3.5Å; N64-K68 WeakPolarHBondContact OD1-CD 3.33Å; N64-K68 WeakPolarHBondContact OD1-CE 3.33Å; N64-K68 PolarHBondContact OD1-NZ 3.28Å
65	V	90	Very high	95.1	Very high	79 Å²	79	67.8 Å²	67.8	48%	0.479	35%	0.347	S	S	.	.	H	α-helix	trans	-71.9	-50.4	-179	178.3	0	0	0	0	110	N63 A69 F110	N63-V65 VanDerWaalsContact C-N 3.26Å; N63-V65 PolarHBondContact O-N 3.47Å; N63-V65 WeakPolarHBondContact OD1-CA 2.96Å; N63-V65 VanDerWaalsContact OD1-CB 3.29Å; N63-V65 WeakPolarHBondContact OD1-CB 3.29Å; N63-V65 PolarHBondContact OD1-N 3.45Å; V65-A69 PolarHBondContact O-N 3Å; V65-F110 HydrophobicContact CG1-CD2 3.87Å; V65-F110 HydrophobicContact CG1-CE2 4.15Å
66	F	93.7	Very high	95.2	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.009	34%	0.341	C	S	.	.	H	α-helix	trans	-65.1	-48.2	178.7	-176.6	-90.9	0	0	0	111.8	F57 E60 M61 N63 K68 A69 W70 F110 F131 L134	F57-F66 AromaticContact CD2-CE1 3.91Å; F57-F66 HydrophobicContact CD2-CE1 3.91Å; F57-F66 HydrophobicContact CD2-CZ 4.22Å; F57-F66 AromaticContact CE2-CE1 3.77Å; F57-F66 HydrophobicContact CE2-CE1 3.77Å; F57-F66 HydrophobicContact CE2-CZ 4.24Å; E60-F66 HydrophobicContact CB-CD1 3.76Å; E60-F66 HydrophobicContact CB-CD2 4.47Å; E60-F66 HydrophobicContact CB-CE1 3.97Å; E60-F66 HydrophobicContact CB-CG 4.03Å; E60-F66 HydrophobicContact CB-CZ 4.41Å; M61-F66 HydrophobicContact CG-CE1 4.37Å; M61-F66 HydrophobicContact SD-CD1 3.9Å; M61-F66 HydrophobicContact SD-CE1 3.85Å; N63-F66 HydrophobicContact CB-CB 4.4Å; N63-F66 PolarHBondContact O-N 2.02Å; N63-F66 PolarHBondContact OD1-N 3.37Å; F66-K68 PolarHBondContact O-N 3.49Å; F66-A69 PolarHBondContact O-N 2.96Å; F66-W70 HydrophobicContact CD1-CB 4.46Å; F66-W70 HydrophobicContact CE1-CB 4.21Å; F66-W70 HydrophobicContact CE1-CD2 4.45Å; F66-W70 HydrophobicContact CE1-CE3 4.42Å; F66-W70 HydrophobicContact CE1-CG 4.36Å; F66-W70 HydrophobicContact CZ-CD2 4.41Å; F66-W70 AromaticContact CZ-CE3 3.95Å; F66-W70 HydrophobicContact CZ-CE3 3.95Å; F66-W70 WeakPolarHBondContact O-CB 3.43Å; F66-W70 PolarHBondContact O-N 3.2Å; F66-F110 HydrophobicContact CD2-CE2 4.36Å; F66-F110 AromaticContact CD2-CZ 3.98Å; F66-F110 HydrophobicContact CD2-CZ 3.98Å; F66-F131 AromaticContact CD2-CD1 3.96Å; F66-F131 HydrophobicContact CD2-CD1 3.96Å; F66-F131 HydrophobicContact CD2-CE1 4.4Å; F66-L134 HydrophobicContact CE2-CB 4.01Å
67	S	95.3	Very high	95.2	Very high	18 Å²	18	66.6 Å²	66.6	13%	0.126	34%	0.34	C	S	.	.	H	α-helix	trans	-65	-37.9	-176.1	66.8	0	0	0	0	113	M61 N63 N71	M61-S67 VanDerWaalsContact O-CB 3.23Å; M61-S67 WeakPolarHBondContact O-CB 3.27Å; N63-S67 WeakPolarHBondContact O-CB 3.3Å; N63-S67 PolarHBondContact O-N 2.88Å; N63-S67 PolarHBondContact O-OG 3.13Å; S67-N71 VanDerWaalsContact O-CB 3.23Å; S67-N71 WeakPolarHBondContact O-CB 3.42Å; S67-N71 PolarHBondContact O-N 2.84Å; S67-N71 PolarHBondContact O-ND2 2.95Å; S67-N71 VanDerWaalsContact O-ND2 3.11Å
68	K	94	Very high	95.3	Very high	130 Å²	130	67 Å²	67	57%	0.565	35%	0.345	S	S	*	.	H	α-helix	trans	-61.8	-49.4	172.7	-79.1	174.7	171.4	169.2	0	111.8	N64 F66 N71 A72	N64-K68 PolarHBondContact ND2-NZ 3.44Å; N64-K68 VanDerWaalsContact O-CB 3.23Å; N64-K68 WeakPolarHBondContact O-CB 3.36Å; N64-K68 WeakPolarHBondContact O-CD 3.02Å; N64-K68 WeakPolarHBondContact O-CG 3.45Å; N64-K68 PolarHBondContact O-N 3.5Å; N64-K68 WeakPolarHBondContact OD1-CD 3.33Å; N64-K68 WeakPolarHBondContact OD1-CE 3.33Å; N64-K68 PolarHBondContact OD1-NZ 3.28Å; F66-K68 PolarHBondContact O-N 3.49Å; K68-N71 PolarHBondContact O-N 2.69Å; K68-A72 WeakPolarHBondContact O-CB 3.39Å; K68-A72 PolarHBondContact O-N 3.01Å
69	A	94.4	Very high	95.3	Very high	18 Å²	18	66.2 Å²	66.2	15%	0.149	34%	0.336	C	S	.	.	H	α-helix	trans	-61.8	-46.6	179.4	0	0	0	0	0	111.3	V65 F66 A72 A73 V101 F110	V65-A69 PolarHBondContact O-N 3Å; F66-A69 PolarHBondContact O-N 2.96Å; A69-A72 PolarHBondContact O-N 2.83Å; A69-A73 PolarHBondContact O-N 3.07Å; A69-V101 HydrophobicContact CB-CG1 4.29Å; A69-F110 HydrophobicContact CB-CB 4.26Å; A69-F110 HydrophobicContact CB-CD1 4.19Å; A69-F110 HydrophobicContact CB-CD2 3.51Å; A69-F110 HydrophobicContact CB-CE2 3.89Å; A69-F110 HydrophobicContact CB-CG 3.69Å; A69-F110 HydrophobicContact CB-CZ 4.4Å
70	W	96.8	Very high	95.3	Very high	11 Å²	11	61.1 Å²	61.1	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-60.4	-50.3	178	-167.2	-98.7	0	0	0	111.5	F57 M61 F66 A72 A73 Q97 A98 V101 W137	F57-W70 AromaticContact CE2-CD1 3.83Å; F57-W70 AromaticContact CE2-CD2 3.83Å; F57-W70 HydrophobicContact CE2-CD2 3.83Å; F57-W70 AromaticContact CE2-CE2 3.54Å; F57-W70 HydrophobicContact CE2-CE3 4.5Å; F57-W70 HydrophobicContact CE2-CG 4.03Å; F57-W70 HydrophobicContact CE2-CZ2 4.02Å; F57-W70 AromaticContact CE2-NE1 3.53Å; F57-W70 AromaticContact CZ-CD1 3.65Å; F57-W70 HydrophobicContact CZ-CD2 4.36Å; F57-W70 AromaticContact CZ-CE2 3.77Å; F57-W70 HydrophobicContact CZ-CG 4.31Å; F57-W70 HydrophobicContact CZ-CZ2 4.35Å; F57-W70 AromaticContact CZ-NE1 3.28Å; F57-W70 VanDerWaalsContact CZ-NE1 3.28Å; M61-W70 HydrophobicContact SD-CB 4.05Å; M61-W70 HydrophobicContact SD-CG 4.11Å; F66-W70 HydrophobicContact CD1-CB 4.46Å; F66-W70 HydrophobicContact CE1-CB 4.21Å; F66-W70 HydrophobicContact CE1-CD2 4.45Å; F66-W70 HydrophobicContact CE1-CE3 4.42Å; F66-W70 HydrophobicContact CE1-CG 4.36Å; F66-W70 HydrophobicContact CZ-CD2 4.41Å; F66-W70 AromaticContact CZ-CE3 3.95Å; F66-W70 HydrophobicContact CZ-CE3 3.95Å; F66-W70 WeakPolarHBondContact O-CB 3.43Å; F66-W70 PolarHBondContact O-N 3.2Å; W70-A72 PolarHBondContact O-N 2.88Å; W70-A73 WeakPolarHBondContact O-CB 3.38Å; W70-A73 PolarHBondContact O-N 2.89Å; W70-A73 VanDerWaalsContact O-N 3.15Å; W70-Q97 VanDerWaalsContact CD1-NE2 3.31Å; W70-Q97 HydrophobicContact CD2-CG 4.05Å; W70-Q97 HydrophobicContact CE3-CG 4.38Å; W70-Q97 HydrophobicContact CH2-CB 3.9Å; W70-Q97 HydrophobicContact CH2-CG 4.16Å; W70-Q97 HydrophobicContact CZ2-CB 3.82Å; W70-Q97 HydrophobicContact CZ2-CG 3.85Å; W70-Q97 HydrophobicContact CZ3-CB 4.46Å; W70-Q97 HydrophobicContact CZ3-CG 4.42Å; W70-Q97 VanDerWaalsContact NE1-NE2 3.2Å; W70-Q97 PolarHBondContact O-NE2 2.73Å; W70-A98 HydrophobicContact CH2-CB 4.45Å; W70-A98 HydrophobicContact CZ3-CB 4.28Å; W70-V101 HydrophobicContact CD2-CG2 4.49Å; W70-V101 HydrophobicContact CE3-CG2 3.81Å; W70-V101 HydrophobicContact CZ3-CG2 4.37Å; W70-W137 HydrophobicContact CH2-CD2 4.28Å; W70-W137 AromaticContact CH2-CE3 3.35Å; W70-W137 HydrophobicContact CH2-CE3 3.35Å; W70-W137 HydrophobicContact CH2-CH2 4.34Å; W70-W137 AromaticContact CH2-CZ3 3.38Å; W70-W137 HydrophobicContact CH2-CZ3 3.38Å; W70-W137 HydrophobicContact CZ2-CE3 4.11Å; W70-W137 HydrophobicContact CZ2-CH2 4.3Å; W70-W137 AromaticContact CZ2-CZ3 3.69Å; W70-W137 HydrophobicContact CZ2-CZ3 3.69Å; W70-W137 AromaticContact CZ3-CE3 3.84Å; W70-W137 HydrophobicContact CZ3-CE3 3.84Å; W70-W137 AromaticContact CZ3-CZ3 3.93Å; W70-W137 HydrophobicContact CZ3-CZ3 3.93Å
71	N	96.4	Very high	95.4	Very high	96 Å²	96	63.5 Å²	63.5	51%	0.513	33%	0.329	S	S	.	.	H	α-helix	trans	-64	-38.7	-178.9	-73.1	-29.1	0	0	0	112.8	S67 K68 A73 K74	S67-N71 VanDerWaalsContact O-CB 3.23Å; S67-N71 WeakPolarHBondContact O-CB 3.42Å; S67-N71 PolarHBondContact O-N 2.84Å; S67-N71 PolarHBondContact O-ND2 2.95Å; S67-N71 VanDerWaalsContact O-ND2 3.11Å; K68-N71 PolarHBondContact O-N 2.69Å; N71-A73 PolarHBondContact O-N 2.97Å; N71-K74 WeakPolarHBondContact O-CB 3.2Å; N71-K74 PolarHBondContact O-N 2.77Å
72	A	94.9	Very high	95.3	Very high	85 Å²	85	69.8 Å²	69.8	70%	0.702	36%	0.355	S	S	*	.	H	α-helix	trans	-61.3	-30.5	176.4	0	0	0	0	0	112.6	K68 A69 W70 K74	K68-A72 WeakPolarHBondContact O-CB 3.39Å; K68-A72 PolarHBondContact O-N 3.01Å; A69-A72 PolarHBondContact O-N 2.83Å; W70-A72 PolarHBondContact O-N 2.88Å; A72-K74 VanDerWaalsContact C-N 3.32Å; A72-K74 PolarHBondContact O-N 2.64Å
73	A	95.9	Very high	95.2	Very high	7 Å²	7	64.9 Å²	64.9	6%	0.058	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-6.9	-179.6	0	0	0	0	0	114.7	A69 W70 N71 N75 C76 A77 Q97 C100 V101	A69-A73 PolarHBondContact O-N 3.07Å; W70-A73 WeakPolarHBondContact O-CB 3.38Å; W70-A73 PolarHBondContact O-N 2.89Å; W70-A73 VanDerWaalsContact O-N 3.15Å; N71-A73 PolarHBondContact O-N 2.97Å; A73-N75 PolarHBondContact O-N 3.25Å; A73-C76 WeakPolarHBondContact O-CB 3.19Å; A73-C76 PolarHBondContact O-N 3.13Å; A73-A77 PolarHBondContact O-N 3.34Å; A73-Q97 HydrophobicContact CB-CG 3.89Å; A73-C100 HydrophobicContact CB-CB 3.75Å; A73-V101 HydrophobicContact CB-CB 4.44Å; A73-V101 HydrophobicContact CB-CG2 3.47Å; A73-V101 VanDerWaalsContact CB-CG2 3.47Å
74	K	97	Very high	95.3	Very high	106 Å²	106	64 Å²	64	46%	0.461	33%	0.33	S	S	.	.	H	α-helix	trans	-58.5	-47.1	-173.4	-175	177.1	178.9	179.1	0	113.2	N71 A72 C76 A77 D78	N71-K74 WeakPolarHBondContact O-CB 3.2Å; N71-K74 PolarHBondContact O-N 2.77Å; A72-K74 VanDerWaalsContact C-N 3.32Å; A72-K74 PolarHBondContact O-N 2.64Å; K74-C76 VanDerWaalsContact C-N 3.34Å; K74-C76 PolarHBondContact O-N 3.3Å; K74-A77 WeakPolarHBondContact O-CB 3.16Å; K74-A77 PolarHBondContact O-N 2.62Å; K74-D78 PolarHBondContact O-N 3.19Å
75	N	96.9	Very high	95.6	Very high	131 Å²	131	62.7 Å²	62.7	70%	0.701	32%	0.321	S	S	*	.	H	α-helix	trans	-66	-38.2	-179.1	-69.8	-13.8	0	0	0	111.8	A73 D78 R79	A73-N75 PolarHBondContact O-N 3.25Å; N75-D78 PolarHBondContact O-N 3.07Å; N75-R79 WeakPolarHBondContact O-CB 3.2Å; N75-R79 PolarHBondContact O-N 3.49Å
76	C	96.3	Very high	95.7	Very high	21 Å²	21	64.1 Å²	64.1	14%	0.142	33%	0.332	C	S	.	.	H	α-helix	trans	-61.1	-45.9	172.9	172	0	0	0	0	110.9	A73 K74 R79 N80 C100	A73-C76 WeakPolarHBondContact O-CB 3.19Å; A73-C76 PolarHBondContact O-N 3.13Å; K74-C76 VanDerWaalsContact C-N 3.34Å; K74-C76 PolarHBondContact O-N 3.3Å; C76-R79 PolarHBondContact O-N 3.41Å; C76-N80 WeakPolarHBondContact O-CB 3.24Å; C76-N80 PolarHBondContact O-N 2.95Å; C76-N80 PolarHBondContact O-OD1 3.21Å; C76-C100 HydrophobicContact CB-CB 3.63Å; C76-C100 WeakPolarHBondContact CB-SG 3.32Å; C76-C100 WeakPolarHBondContact SG-CB 3.28Å; C76-C100 CovalentContact SG-SG 2.04Å; C76-C100 PolarHBondContact SG-SG 2.81Å
77	A	98	Very high	95.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.9	-44.7	178.3	0	0	0	0	0	112.4	A73 K74 R79 N80 M81 K93 M96 Q97 C100	A73-A77 PolarHBondContact O-N 3.34Å; K74-A77 WeakPolarHBondContact O-CB 3.16Å; K74-A77 PolarHBondContact O-N 2.62Å; A77-R79 PolarHBondContact O-N 2.95Å; A77-N80 PolarHBondContact O-N 2.83Å; A77-M81 WeakPolarHBondContact O-CG 3.1Å; A77-M81 PolarHBondContact O-N 3.42Å; A77-K93 HydrophobicContact CB-CG 4.47Å; A77-M96 HydrophobicContact CB-CB 4.2Å; A77-Q97 HydrophobicContact CB-CB 3.64Å; A77-Q97 HydrophobicContact CB-CG 4.04Å; A77-C100 PolarHBondContact N-SG 3.03Å; A77-C100 VanDerWaalsContact N-SG 3.43Å
78	D	98.1	Very high	95.6	Very high	53 Å²	53	65.8 Å²	65.8	28%	0.283	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-41.8	178.3	-77.3	-35	0	0	0	111.9	K74 N75 M81 K82 K93	K74-D78 PolarHBondContact O-N 3.19Å; N75-D78 PolarHBondContact O-N 3.07Å; D78-M81 PolarHBondContact O-N 2.84Å; D78-K82 WeakPolarHBondContact O-CG 3.43Å; D78-K82 PolarHBondContact O-N 2.8Å; D78-K93 VanDerWaalsContact CG-NZ 3.33Å; D78-K93 WeakPolarHBondContact OD1-CE 3.28Å; D78-K93 IonicContact OD1-NZ 2.81Å; D78-K93 PolarHBondContact OD1-NZ 2.81Å; D78-K93 IonicContact OD2-NZ 3.38Å; D78-K93 PolarHBondContact OD2-NZ 3.01Å
79	R	96.6	Very high	95.6	Very high	106 Å²	106	67 Å²	67	40%	0.4	36%	0.358	S	S	.	.	H	α-helix	trans	-61.1	-45.6	171.8	-178.4	-159.3	67.2	141.7	0.6	111.3	N75 C76 A77 M81 K82 N83 K204	N75-R79 WeakPolarHBondContact O-CB 3.2Å; N75-R79 PolarHBondContact O-N 3.49Å; C76-R79 PolarHBondContact O-N 3.41Å; A77-R79 PolarHBondContact O-N 2.95Å; R79-M81 VanDerWaalsContact C-N 3.35Å; R79-M81 PolarHBondContact O-N 2.72Å; R79-K82 PolarHBondContact O-N 3.02Å; R79-N83 PolarHBondContact O-N 2.74Å; R79-N83 PolarHBondContact O-ND2 3.05Å; R79-K204 PolarHBondContact NH2-O 3.24Å
80	N	96.8	Very high	95.7	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.011	38%	0.377	C	S	.	.	H	α-helix	trans	-64.7	-39.9	-179	-71.2	-3.9	0	0	0	111.7	C76 A77 K82 N83 K84 M96 C100 Y205	C76-N80 WeakPolarHBondContact O-CB 3.24Å; C76-N80 PolarHBondContact O-N 2.95Å; C76-N80 PolarHBondContact O-OD1 3.21Å; A77-N80 PolarHBondContact O-N 2.83Å; N80-K82 VanDerWaalsContact C-N 3.35Å; N80-K82 PolarHBondContact O-N 3.44Å; N80-N83 CarbonylContact O-C 3.49Å; N80-N83 PolarHBondContact O-N 3.39Å; N80-N83 VanDerWaalsContact O-N 3.14Å; N80-K84 PolarHBondContact O-N 3.11Å; N80-M96 HydrophobicContact CB-CB 4.22Å; N80-M96 HydrophobicContact CB-CG 4.13Å; N80-M96 HydrophobicContact CB-SD 3.76Å; N80-C100 PolarHBondContact ND2-SG 3.41Å; N80-Y205 HydrophobicContact CB-CD1 3.98Å; N80-Y205 WeakPolarHBondContact ND2-CA 3.03Å; N80-Y205 PolarHBondContact ND2-O 3.4Å
81	M	97.6	Very high	95.8	Very high	61 Å²	61	68.9 Å²	68.9	30%	0.3	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-40.2	176.4	-76.1	-59.8	-62.1	0	0	112.6	A77 D78 R79 N83 K84 K93 M96	A77-M81 WeakPolarHBondContact O-CG 3.1Å; A77-M81 PolarHBondContact O-N 3.42Å; D78-M81 PolarHBondContact O-N 2.84Å; R79-M81 VanDerWaalsContact C-N 3.35Å; R79-M81 PolarHBondContact O-N 2.72Å; M81-N83 VanDerWaalsContact C-N 3.27Å; M81-N83 PolarHBondContact O-N 3.49Å; M81-K84 WeakPolarHBondContact O-CB 3.42Å; M81-K84 PolarHBondContact O-N 3.02Å; M81-K84 HydrophobicContact SD-CD 4.45Å; M81-K93 HydrophobicContact CG-CB 4.22Å; M81-K93 HydrophobicContact CG-CG 4.35Å; M81-K93 HydrophobicContact SD-CB 4.43Å; M81-M96 HydrophobicContact CG-CB 4.47Å; M81-M96 HydrophobicContact CG-CG 4.07Å; M81-M96 HydrophobicContact SD-CB 4.48Å; M81-M96 HydrophobicContact SD-CE 4.48Å; M81-M96 HydrophobicContact SD-CG 3.62Å
82	K	96	Very high	95.9	Very high	181 Å²	181	66.5 Å²	66.5	79%	0.787	36%	0.364	S	S	*	.	H	α-helix	trans	-65.9	-30.4	174.8	-69.7	176.6	-177.2	-178	0	113	D78 R79 N80	D78-K82 WeakPolarHBondContact O-CG 3.43Å; D78-K82 PolarHBondContact O-N 2.8Å; R79-K82 PolarHBondContact O-N 3.02Å; N80-K82 VanDerWaalsContact C-N 3.35Å; N80-K82 PolarHBondContact O-N 3.44Å
83	N	92.4	Very high	96	Very high	81 Å²	81	65.9 Å²	65.9	43%	0.433	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	13.1	-176.2	-68.1	-64.6	0	0	0	113.2	R79 N80 M81 E85 K204	R79-N83 PolarHBondContact O-N 2.74Å; R79-N83 PolarHBondContact O-ND2 3.05Å; N80-N83 CarbonylContact O-C 3.49Å; N80-N83 PolarHBondContact O-N 3.39Å; N80-N83 VanDerWaalsContact O-N 3.14Å; M81-N83 VanDerWaalsContact C-N 3.27Å; M81-N83 PolarHBondContact O-N 3.49Å; N83-E85 PolarHBondContact O-N 2.84Å; N83-K204 WeakPolarHBondContact O-CE 3.27Å; N83-K204 PolarHBondContact O-NZ 3.07Å
84	K	94.9	Very high	96.2	Very high	61 Å²	61	67.4 Å²	67.4	27%	0.265	35%	0.353	S	S	.	.			trans	-61.7	129.6	-175.2	-174.1	167.5	67	166.2	0	110.9	N80 M81 D88 K89 L91 M96	N80-K84 PolarHBondContact O-N 3.11Å; M81-K84 WeakPolarHBondContact O-CB 3.42Å; M81-K84 PolarHBondContact O-N 3.02Å; M81-K84 HydrophobicContact SD-CD 4.45Å; K84-D88 WeakPolarHBondContact CD-O 3.45Å; K84-D88 HydrophobicContact CG-CB 4.32Å; K84-K89 PolarHBondContact NZ-O 2.8Å; K84-L91 HydrophobicContact CD-CB 4.22Å; K84-L91 PolarHBondContact NZ-O 3.08Å; K84-M96 HydrophobicContact CB-CE 4.2Å; K84-M96 HydrophobicContact CD-CE 3.8Å; K84-M96 HydrophobicContact CG-CE 3.83Å
85	E	95	Very high	96.2	Very high	67 Å²	67	62.7 Å²	62.7	31%	0.313	33%	0.333	S	S	.	.			trans	-72.7	149.5	179.4	-67.5	178.2	-169	0	0	111.7	N83 G87 D88 K203 Y205	N83-E85 PolarHBondContact O-N 2.84Å; E85-G87 PolarHBondContact O-N 3.47Å; E85-G87 VanDerWaalsContact O-N 3.14Å; E85-D88 PolarHBondContact O-N 3.25Å; E85-K203 WeakPolarHBondContact OE2-CD 3.42Å; E85-K203 IonicContact OE2-NZ 3.08Å; E85-K203 PolarHBondContact OE2-NZ 3.31Å; E85-Y205 PolarHBondContact N-OH 3.24Å
86	P	92.3	Very high	96.3	Very high	109 Å²	109	56.5 Å²	56.5	71%	0.708	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-57.4	-28.9	179.7	-27.2	35.2	0	0	0	114.8	D88 K89	P86-D88 VanDerWaalsContact C-N 3.27Å; P86-D88 PolarHBondContact O-N 3.04Å; P86-K89 WeakPolarHBondContact O-CD 3.21Å; P86-K89 WeakPolarHBondContact O-CE 3.31Å; P86-K89 VanDerWaalsContact O-CG 3.28Å; P86-K89 WeakPolarHBondContact O-CG 3.46Å
87	G	91.7	Very high	96.4	Very high	56 Å²	56	56 Å²	56	58%	0.577	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-72.4	-18.6	176.6	0	0	0	0	0	113.9	E85	E85-G87 PolarHBondContact O-N 3.47Å; E85-G87 VanDerWaalsContact O-N 3.14Å
88	D	95.2	Very high	96.4	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-107.9	22.9	-171	-51.7	-24.3	0	0	0	112.1	K84 E85 P86 A90 L91 H147 K203 Y205	K84-D88 WeakPolarHBondContact CD-O 3.45Å; K84-D88 HydrophobicContact CG-CB 4.32Å; E85-D88 PolarHBondContact O-N 3.25Å; P86-D88 VanDerWaalsContact C-N 3.27Å; P86-D88 PolarHBondContact O-N 3.04Å; D88-A90 PolarHBondContact O-N 2.78Å; D88-L91 HydrophobicContact CB-CD1 3.77Å; D88-L91 HydrophobicContact CB-CG 4.24Å; D88-L91 WeakPolarHBondContact O-CB 3.4Å; D88-L91 PolarHBondContact O-N 2.92Å; D88-H147 IonicContact OD1-CE1 3.89Å; D88-H147 IonicContact OD1-NE2 2.74Å; D88-K203 IonicContact OD1-NZ 2.6Å; D88-K203 PolarHBondContact OD1-NZ 3.36Å; D88-K203 IonicContact OD2-NZ 3.79Å; D88-K203 PolarHBondContact OD2-NZ 2.65Å; D88-Y205 HydrophobicContact CB-CE2 4.47Å; D88-Y205 WeakPolarHBondContact OD2-CE2 3.42Å; D88-Y205 VanDerWaalsContact OD2-CZ 3.29Å; D88-Y205 PolarHBondContact OD2-OH 2.84Å
89	K	94.1	Very high	96.4	Very high	156 Å²	156	53.5 Å²	53.5	68%	0.678	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-33.6	-173.2	-80.1	171.1	-175.5	-175.3	0	113.6	K84 P86 L91	K84-K89 PolarHBondContact NZ-O 2.8Å; P86-K89 WeakPolarHBondContact O-CD 3.21Å; P86-K89 WeakPolarHBondContact O-CE 3.31Å; P86-K89 VanDerWaalsContact O-CG 3.28Å; P86-K89 WeakPolarHBondContact O-CG 3.46Å; K89-L91 PolarHBondContact O-N 3.32Å
90	A	96.9	Very high	96.4	Very high	65 Å²	65	48.5 Å²	48.5	54%	0.537	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.8	178.9	0	0	0	0	0	114.4	D88 T92 I144	D88-A90 PolarHBondContact O-N 2.78Å; A90-T92 PolarHBondContact O-N 3.19Å; A90-I144 HydrophobicContact CB-CD1 4.21Å; A90-I144 HydrophobicContact CB-CG1 4.27Å; A90-I144 HydrophobicContact CB-CG2 3.88Å
91	L	98.1	Very high	96.4	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	26%	0.264	C	S	.	.			trans	-68.6	122.5	172	-64.9	176.3	0	0	0	110.5	K84 D88 K89 H95 M96 A141 I144 L145 Y205	K84-L91 HydrophobicContact CD-CB 4.22Å; K84-L91 PolarHBondContact NZ-O 3.08Å; D88-L91 HydrophobicContact CB-CD1 3.77Å; D88-L91 HydrophobicContact CB-CG 4.24Å; D88-L91 WeakPolarHBondContact O-CB 3.4Å; D88-L91 PolarHBondContact O-N 2.92Å; K89-L91 PolarHBondContact O-N 3.32Å; L91-H95 HydrophobicContact CB-CB 4.44Å; L91-H95 HydrophobicContact CD2-CB 3.85Å; L91-M96 HydrophobicContact CB-CE 3.78Å; L91-M96 HydrophobicContact CD1-CE 3.6Å; L91-M96 HydrophobicContact CD1-SD 4.16Å; L91-M96 HydrophobicContact CG-CE 4.36Å; L91-A141 HydrophobicContact CD2-CB 4.16Å; L91-I144 HydrophobicContact CD2-CB 3.93Å; L91-I144 HydrophobicContact CD2-CD1 4.08Å; L91-I144 HydrophobicContact CD2-CG2 3.72Å; L91-I144 HydrophobicContact CG-CG2 3.83Å; L91-L145 HydrophobicContact CD1-CD2 3.86Å; L91-L145 HydrophobicContact CD1-CG 4.15Å; L91-L145 HydrophobicContact CD2-CG 4.47Å; L91-Y205 HydrophobicContact CD1-CD2 4.24Å; L91-Y205 HydrophobicContact CD1-CE2 3.85Å
92	T	98.4	Very high	96.4	Very high	46 Å²	46	46.1 Å²	46.1	28%	0.282	25%	0.251	S	S	.	.			trans	-88	171.7	174	67.1	0	0	0	0	109.8	A90 D94 H95 M96	A90-T92 PolarHBondContact O-N 3.19Å; T92-D94 VanDerWaalsContact C-N 3.25Å; T92-D94 PolarHBondContact O-N 2.83Å; T92-D94 PolarHBondContact OG1-N 2.77Å; T92-H95 PolarHBondContact N-ND1 2.82Å; T92-H95 PolarHBondContact O-N 2.93Å; T92-H95 PolarHBondContact OG1-N 3.1Å; T92-H95 PolarHBondContact OG1-ND1 3.4Å; T92-M96 WeakPolarHBondContact O-CG 3.22Å; T92-M96 PolarHBondContact O-N 2.77Å
93	K	98.4	Very high	96.3	Very high	72 Å²	72	38.2 Å²	38.2	31%	0.313	22%	0.218	S	C	.	.	H	α-helix	trans	-60.2	-38	172.6	-174.3	174.5	176.4	164.3	0	111.8	A77 D78 M81 H95 M96 Q97	A77-K93 HydrophobicContact CB-CG 4.47Å; D78-K93 VanDerWaalsContact CG-NZ 3.33Å; D78-K93 WeakPolarHBondContact OD1-CE 3.28Å; D78-K93 IonicContact OD1-NZ 2.81Å; D78-K93 PolarHBondContact OD1-NZ 2.81Å; D78-K93 IonicContact OD2-NZ 3.38Å; D78-K93 PolarHBondContact OD2-NZ 3.01Å; M81-K93 HydrophobicContact CG-CB 4.22Å; M81-K93 HydrophobicContact CG-CG 4.35Å; M81-K93 HydrophobicContact SD-CB 4.43Å; K93-H95 PolarHBondContact O-N 3.16Å; K93-M96 PolarHBondContact O-N 2.99Å; K93-Q97 WeakPolarHBondContact O-CB 3.17Å; K93-Q97 PolarHBondContact O-N 2.67Å
94	D	98.6	Very high	96.1	Very high	39 Å²	39	36.8 Å²	36.8	21%	0.209	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-41.5	177.8	-56.7	-33	0	0	0	111.4	K53 T92 Q97 A98 W137	K53-D94 VanDerWaalsContact CE-OD2 3.27Å; K53-D94 WeakPolarHBondContact CE-OD2 3.42Å; K53-D94 IonicContact NZ-OD2 2.77Å; T92-D94 VanDerWaalsContact C-N 3.25Å; T92-D94 PolarHBondContact O-N 2.83Å; T92-D94 PolarHBondContact OG1-N 2.77Å; D94-Q97 PolarHBondContact O-N 2.72Å; D94-A98 WeakPolarHBondContact O-CB 3.48Å; D94-A98 PolarHBondContact O-N 3.03Å; D94-W137 HydrophobicContact CB-CD2 3.8Å; D94-W137 HydrophobicContact CB-CE3 4.41Å; D94-W137 HydrophobicContact CB-CG 4.03Å; D94-W137 HydrophobicContact CB-CH2 4.46Å; D94-W137 HydrophobicContact CB-CZ2 3.88Å
95	H	98.8	Very high	94.8	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-45.4	173	-60.6	150.3	0	0	0	111.6	L91 T92 K93 Q97 A98 I99 W137 A141	L91-H95 HydrophobicContact CB-CB 4.44Å; L91-H95 HydrophobicContact CD2-CB 3.85Å; T92-H95 PolarHBondContact N-ND1 2.82Å; T92-H95 PolarHBondContact O-N 2.93Å; T92-H95 PolarHBondContact OG1-N 3.1Å; T92-H95 PolarHBondContact OG1-ND1 3.4Å; K93-H95 PolarHBondContact O-N 3.16Å; H95-Q97 VanDerWaalsContact C-N 3.35Å; H95-Q97 PolarHBondContact O-N 2.67Å; H95-A98 PolarHBondContact O-N 3.16Å; H95-I99 WeakPolarHBondContact O-CG1 3.38Å; H95-I99 PolarHBondContact O-N 3.43Å; H95-I99 VanDerWaalsContact O-N 3.08Å; H95-W137 AromaticContact CD2-CD1 3.75Å; H95-W137 PolarHBondContact CD2-O 3.47Å; H95-W137 AromaticContact NE2-CD1 3.92Å; H95-A141 HydrophobicContact CB-CB 4.02Å
96	M	98.3	Very high	93.1	Very high	0 Å²	0	35 Å²	35	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-41.5	178.3	-68.4	-61.1	-171.8	0	0	112.1	A77 N80 M81 K84 L91 T92 K93 I99 C100 Y205	A77-M96 HydrophobicContact CB-CB 4.2Å; N80-M96 HydrophobicContact CB-CB 4.22Å; N80-M96 HydrophobicContact CB-CG 4.13Å; N80-M96 HydrophobicContact CB-SD 3.76Å; M81-M96 HydrophobicContact CG-CB 4.47Å; M81-M96 HydrophobicContact CG-CG 4.07Å; M81-M96 HydrophobicContact SD-CB 4.48Å; M81-M96 HydrophobicContact SD-CE 4.48Å; M81-M96 HydrophobicContact SD-CG 3.62Å; K84-M96 HydrophobicContact CB-CE 4.2Å; K84-M96 HydrophobicContact CD-CE 3.8Å; K84-M96 HydrophobicContact CG-CE 3.83Å; L91-M96 HydrophobicContact CB-CE 3.78Å; L91-M96 HydrophobicContact CD1-CE 3.6Å; L91-M96 HydrophobicContact CD1-SD 4.16Å; L91-M96 HydrophobicContact CG-CE 4.36Å; T92-M96 WeakPolarHBondContact O-CG 3.22Å; T92-M96 PolarHBondContact O-N 2.77Å; K93-M96 PolarHBondContact O-N 2.99Å; M96-I99 PolarHBondContact O-N 3.25Å; M96-C100 PolarHBondContact O-N 2.58Å; M96-C100 PolarHBondContact O-SG 3.3Å; M96-Y205 HydrophobicContact CE-CD1 3.95Å; M96-Y205 HydrophobicContact CE-CD2 4.37Å; M96-Y205 HydrophobicContact CE-CE1 3.68Å; M96-Y205 HydrophobicContact CE-CE2 4.13Å; M96-Y205 HydrophobicContact CE-CG 4.29Å; M96-Y205 HydrophobicContact SD-CD1 3.9Å; M96-Y205 HydrophobicContact SD-CD2 4.3Å; M96-Y205 HydrophobicContact SD-CE1 4.27Å; M96-Y205 HydrophobicContact SD-CG 3.92Å
97	Q	98.4	Very high	90.6	Very high	11 Å²	11	37 Å²	37	5%	0.051	25%	0.247	C	C	.	.	H	α-helix	trans	-69.4	-38.7	179.6	-163.1	158.9	-11.6	0	0	111.3	W70 A73 A77 K93 D94 H95 I99 C100 V101	W70-Q97 VanDerWaalsContact CD1-NE2 3.31Å; W70-Q97 HydrophobicContact CD2-CG 4.05Å; W70-Q97 HydrophobicContact CE3-CG 4.38Å; W70-Q97 HydrophobicContact CH2-CB 3.9Å; W70-Q97 HydrophobicContact CH2-CG 4.16Å; W70-Q97 HydrophobicContact CZ2-CB 3.82Å; W70-Q97 HydrophobicContact CZ2-CG 3.85Å; W70-Q97 HydrophobicContact CZ3-CB 4.46Å; W70-Q97 HydrophobicContact CZ3-CG 4.42Å; W70-Q97 VanDerWaalsContact NE1-NE2 3.2Å; W70-Q97 PolarHBondContact O-NE2 2.73Å; A73-Q97 HydrophobicContact CB-CG 3.89Å; A77-Q97 HydrophobicContact CB-CB 3.64Å; A77-Q97 HydrophobicContact CB-CG 4.04Å; K93-Q97 WeakPolarHBondContact O-CB 3.17Å; K93-Q97 PolarHBondContact O-N 2.67Å; D94-Q97 PolarHBondContact O-N 2.72Å; H95-Q97 VanDerWaalsContact C-N 3.35Å; H95-Q97 PolarHBondContact O-N 2.67Å; Q97-I99 PolarHBondContact O-N 2.73Å; Q97-C100 PolarHBondContact O-N 2.89Å; Q97-V101 VanDerWaalsContact O-CG2 3.3Å; Q97-V101 WeakPolarHBondContact O-CG2 3.47Å; Q97-V101 PolarHBondContact O-N 3.28Å
98	A	98.4	Very high	88.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.7	-45.1	171.3	0	0	0	0	0	112.6	W70 D94 H95 V101 Y102 L134 W137	W70-A98 HydrophobicContact CH2-CB 4.45Å; W70-A98 HydrophobicContact CZ3-CB 4.28Å; D94-A98 WeakPolarHBondContact O-CB 3.48Å; D94-A98 PolarHBondContact O-N 3.03Å; H95-A98 PolarHBondContact O-N 3.16Å; A98-V101 PolarHBondContact O-N 3.35Å; A98-Y102 WeakPolarHBondContact O-CB 3.01Å; A98-Y102 PolarHBondContact O-N 2.04Å; A98-L134 HydrophobicContact CB-CD1 3.65Å; A98-W137 HydrophobicContact CB-CB 3.74Å
99	I	98	Very high	87.8	Confident	1 Å²	1	41 Å²	41	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-47.6	173.7	-68.2	166.4	0	0	0	110.4	H95 M96 Q97 V101 Y102 T103 L138 A141 L145 L202	H95-I99 WeakPolarHBondContact O-CG1 3.38Å; H95-I99 PolarHBondContact O-N 3.43Å; H95-I99 VanDerWaalsContact O-N 3.08Å; M96-I99 PolarHBondContact O-N 3.25Å; Q97-I99 PolarHBondContact O-N 2.73Å; I99-V101 PolarHBondContact O-N 3.35Å; I99-Y102 PolarHBondContact O-N 3.13Å; I99-T103 HydrophobicContact CG2-CG2 4.34Å; I99-T103 WeakPolarHBondContact O-CB 3.47Å; I99-T103 WeakPolarHBondContact O-CG2 3.22Å; I99-T103 PolarHBondContact O-N 3.04Å; I99-T103 PolarHBondContact O-OG1 3.43Å; I99-L138 HydrophobicContact CG1-CD1 4.31Å; I99-A141 HydrophobicContact CD1-CB 4.11Å; I99-A141 HydrophobicContact CG1-CB 4.17Å; I99-L145 HydrophobicContact CD1-CD1 4.06Å; I99-L202 HydrophobicContact CD1-CD2 4.42Å; I99-L202 HydrophobicContact CG1-CD2 4.38Å; I99-L202 HydrophobicContact CG2-CD1 4.22Å; I99-L202 HydrophobicContact CG2-CD2 4.48Å
100	C	96.8	Very high	87.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-40.6	179.8	-68.6	0	0	0	0	112.4	A73 C76 A77 N80 M96 Q97 A104 V207	A73-C100 HydrophobicContact CB-CB 3.75Å; C76-C100 HydrophobicContact CB-CB 3.63Å; C76-C100 WeakPolarHBondContact CB-SG 3.32Å; C76-C100 WeakPolarHBondContact SG-CB 3.28Å; C76-C100 CovalentContact SG-SG 2.04Å; C76-C100 PolarHBondContact SG-SG 2.81Å; A77-C100 PolarHBondContact N-SG 3.03Å; A77-C100 VanDerWaalsContact N-SG 3.43Å; N80-C100 PolarHBondContact ND2-SG 3.41Å; M96-C100 PolarHBondContact O-N 2.58Å; M96-C100 PolarHBondContact O-SG 3.3Å; Q97-C100 PolarHBondContact O-N 2.89Å; C100-A104 WeakPolarHBondContact O-CB 3.28Å; C100-A104 PolarHBondContact O-N 2.93Å; C100-A104 VanDerWaalsContact O-N 3.08Å; C100-V207 HydrophobicContact CB-CG2 4.27Å; C100-V207 WeakPolarHBondContact O-CG2 3.46Å
101	V	96.3	Very high	87.1	Confident	7 Å²	7	34 Å²	34	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-47.9	175.2	168.4	0	0	0	0	110.7	A69 W70 A73 Q97 A98 I99 F110 L134	A69-V101 HydrophobicContact CB-CG1 4.29Å; W70-V101 HydrophobicContact CD2-CG2 4.49Å; W70-V101 HydrophobicContact CE3-CG2 3.81Å; W70-V101 HydrophobicContact CZ3-CG2 4.37Å; A73-V101 HydrophobicContact CB-CB 4.44Å; A73-V101 HydrophobicContact CB-CG2 3.47Å; A73-V101 VanDerWaalsContact CB-CG2 3.47Å; Q97-V101 VanDerWaalsContact O-CG2 3.3Å; Q97-V101 WeakPolarHBondContact O-CG2 3.47Å; Q97-V101 PolarHBondContact O-N 3.28Å; A98-V101 PolarHBondContact O-N 3.35Å; I99-V101 PolarHBondContact O-N 3.35Å; V101-F110 HydrophobicContact CG1-CD1 3.6Å; V101-F110 HydrophobicContact CG1-CE1 3.44Å; V101-F110 VanDerWaalsContact CG1-CE1 3.44Å; V101-F110 HydrophobicContact CG1-CZ 4.25Å; V101-L134 HydrophobicContact CB-CD1 4.38Å; V101-L134 HydrophobicContact CG1-CD1 4.29Å; V101-L134 HydrophobicContact CG1-CD2 3.93Å
102	Y	96.6	Very high	86.7	Confident	7 Å²	7	38.5 Å²	38.5	3%	0.027	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-39.2	-177.5	-179.4	-91.9	0	0	0	112.3	A98 I99 F111 F114 N115 L138 F174 S176 L216	A98-Y102 WeakPolarHBondContact O-CB 3.01Å; A98-Y102 PolarHBondContact O-N 2.04Å; I99-Y102 PolarHBondContact O-N 3.13Å; Y102-F111 HydrophobicContact CD2-CB 4.46Å; Y102-F111 WeakPolarHBondContact O-CB 3.1Å; Y102-F114 AromaticContact CD2-CD1 3.89Å; Y102-F114 HydrophobicContact CD2-CD1 3.89Å; Y102-F114 AromaticContact CD2-CE1 3.97Å; Y102-F114 HydrophobicContact CD2-CE1 3.97Å; Y102-F114 HydrophobicContact CE2-CD1 4.12Å; Y102-F114 HydrophobicContact CE2-CE1 4.23Å; Y102-N115 PolarHBondContact OH-ND2 3.17Å; Y102-L138 HydrophobicContact CD2-CD2 3.57Å; Y102-L138 HydrophobicContact CE2-CD2 4.26Å; Y102-L138 HydrophobicContact CG-CD1 4.48Å; Y102-L138 HydrophobicContact CG-CD2 3.74Å; Y102-F174 HydrophobicContact CE2-CB 3.75Å; Y102-F174 PolarHBondContact OH-O 3.05Å; Y102-S176 VanDerWaalsContact CE1-OG 3.24Å; Y102-S176 WeakPolarHBondContact CE1-OG 3.5Å; Y102-S176 PolarHBondContact OH-OG 2.82Å; Y102-L216 HydrophobicContact CD1-CD1 4.15Å; Y102-L216 HydrophobicContact CD1-CD2 3.84Å; Y102-L216 HydrophobicContact CE1-CD1 3.3Å; Y102-L216 HydrophobicContact CE1-CD2 3.86Å; Y102-L216 HydrophobicContact CE1-CG 4.22Å; Y102-L216 HydrophobicContact CG-CD2 4.42Å; Y102-L216 WeakPolarHBondContact OH-CD1 3.49Å
103	T	94.7	Very high	86.5	Confident	14 Å²	14	38.4 Å²	38.4	9%	0.086	25%	0.247	C	C	.	.	H	α-helix	trans	-93.9	-0.5	-173.3	60.1	0	0	0	0	115.1	I99 G105 L202 A206 V207 E214	I99-T103 HydrophobicContact CG2-CG2 4.34Å; I99-T103 WeakPolarHBondContact O-CB 3.47Å; I99-T103 WeakPolarHBondContact O-CG2 3.22Å; I99-T103 PolarHBondContact O-N 3.04Å; I99-T103 PolarHBondContact O-OG1 3.43Å; T103-G105 VanDerWaalsContact C-N 3.26Å; T103-G105 PolarHBondContact O-N 2.94Å; T103-L202 HydrophobicContact CG2-CD1 3.64Å; T103-A206 HydrophobicContact CG2-CB 3.97Å; T103-A206 WeakPolarHBondContact OG1-CA 3.47Å; T103-V207 PolarHBondContact OG1-N 3.08Å; T103-E214 WeakPolarHBondContact CG2-OE2 3.04Å
104	A	88.8	Confident	86.4	Confident	52 Å²	52	35 Å²	35	43%	0.43	23%	0.232	S	C	.	.			trans	-58.3	-34	-173.3	0	0	0	0	0	114.6	C100 V207	C100-A104 WeakPolarHBondContact O-CB 3.28Å; C100-A104 PolarHBondContact O-N 2.93Å; C100-A104 VanDerWaalsContact O-N 3.08Å; A104-V207 HydrophobicContact CB-CG2 4.2Å
105	G	67.4	Low	86.3	Confident	49 Å²	49	33.9 Å²	33.9	51%	0.505	23%	0.226	S	C	.	.			trans	56.5	170.4	-166.6	0	0	0	0	0	112.4	T103	T103-G105 VanDerWaalsContact C-N 3.26Å; T103-G105 PolarHBondContact O-N 2.94Å
106	G	58	Low	86.1	Confident	42 Å²	42	37.1 Å²	37.1	43%	0.433	24%	0.243	S	C	.	.	S	Bend	trans	98.8	-168.4	170.2	0	0	0	0	0	116.6	A108 D109	G106-A108 PolarHBondContact O-N 3.13Å; G106-D109 PolarHBondContact O-N 2.91Å
107	P	41.3	Very low	86.1	Confident	149 Å²	149	37.5 Å²	37.5	97%	0.968	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-9.5	-148.5	20.6	-32.4	0	0	0	117.1
108	A	50.8	Low	86.1	Confident	72 Å²	72	37 Å²	37	60%	0.595	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-14.3	174	0	0	0	0	0	113.3	G106 F110	G106-A108 PolarHBondContact O-N 3.13Å; A108-F110 HydrophobicContact CB-CB 4.26Å; A108-F110 PolarHBondContact O-N 2.91Å
109	D	75.8	Confident	86	Confident	69 Å²	69	43 Å²	43	37%	0.369	27%	0.267	S	S	.	.			trans	44.1	31.6	-173.1	-94.6	-22.9	0	0	0	112.3	G106 F111 K112 A113	G106-D109 PolarHBondContact O-N 2.91Å; D109-F111 VanDerWaalsContact C-N 3.27Å; D109-F111 PolarHBondContact O-N 2.8Å; D109-K112 HydrophobicContact CB-CB 4.38Å; D109-K112 HydrophobicContact CB-CD 3.97Å; D109-K112 HydrophobicContact CB-CG 4.25Å; D109-K112 VanDerWaalsContact CG-CE 3.46Å; D109-K112 WeakPolarHBondContact O-CA 3.41Å; D109-K112 VanDerWaalsContact O-CB 3.28Å; D109-K112 WeakPolarHBondContact O-CB 3.43Å; D109-K112 PolarHBondContact O-N 2.88Å; D109-K112 WeakPolarHBondContact OD1-CE 3.4Å; D109-K112 IonicContact OD1-NZ 2.77Å; D109-K112 PolarHBondContact OD1-NZ 2.95Å; D109-K112 WeakPolarHBondContact OD2-CE 3.46Å; D109-K112 IonicContact OD2-NZ 3.15Å; D109-K112 PolarHBondContact OD2-NZ 2.72Å; D109-A113 PolarHBondContact O-N 3.33Å
110	F	87.9	Confident	85.9	Confident	11 Å²	11	46.5 Å²	46.5	5%	0.048	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-38.9	-166.1	177.1	-84.3	0	0	0	111.2	V65 F66 A69 V101 A108 K112 A113 F114 F131 L134	V65-F110 HydrophobicContact CG1-CD2 3.87Å; V65-F110 HydrophobicContact CG1-CE2 4.15Å; F66-F110 HydrophobicContact CD2-CE2 4.36Å; F66-F110 AromaticContact CD2-CZ 3.98Å; F66-F110 HydrophobicContact CD2-CZ 3.98Å; A69-F110 HydrophobicContact CB-CB 4.26Å; A69-F110 HydrophobicContact CB-CD1 4.19Å; A69-F110 HydrophobicContact CB-CD2 3.51Å; A69-F110 HydrophobicContact CB-CE2 3.89Å; A69-F110 HydrophobicContact CB-CG 3.69Å; A69-F110 HydrophobicContact CB-CZ 4.4Å; V101-F110 HydrophobicContact CG1-CD1 3.6Å; V101-F110 HydrophobicContact CG1-CE1 3.44Å; V101-F110 VanDerWaalsContact CG1-CE1 3.44Å; V101-F110 HydrophobicContact CG1-CZ 4.25Å; A108-F110 HydrophobicContact CB-CB 4.26Å; A108-F110 PolarHBondContact O-N 2.91Å; F110-K112 PolarHBondContact O-N 3.3Å; F110-A113 PolarHBondContact O-N 3.44Å; F110-F114 HydrophobicContact CE1-CB 4.11Å; F110-F114 WeakPolarHBondContact O-CB 3.28Å; F110-F114 PolarHBondContact O-N 3.33Å; F110-F131 HydrophobicContact CE2-CD1 4.47Å; F110-F131 AromaticContact CE2-CE1 3.82Å; F110-F131 HydrophobicContact CE2-CE1 3.82Å; F110-F131 HydrophobicContact CE2-CZ 4.4Å; F110-F131 HydrophobicContact CZ-CD1 4.04Å; F110-F131 AromaticContact CZ-CE1 3.81Å; F110-F131 HydrophobicContact CZ-CE1 3.81Å; F110-L134 HydrophobicContact CD1-CD2 4.49Å; F110-L134 HydrophobicContact CE1-CD2 3.4Å; F110-L134 VanDerWaalsContact CE1-CD2 3.4Å; F110-L134 HydrophobicContact CZ-CD2 3.99Å
111	F	88.9	Confident	86	Confident	63 Å²	63	48.7 Å²	48.7	28%	0.276	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-30.9	175.5	84.1	-85.7	0	0	0	112.5	Y102 D109 N115	Y102-F111 HydrophobicContact CD2-CB 4.46Å; Y102-F111 WeakPolarHBondContact O-CB 3.1Å; D109-F111 VanDerWaalsContact C-N 3.27Å; D109-F111 PolarHBondContact O-N 2.8Å; F111-N115 VanDerWaalsContact O-CB 3.22Å; F111-N115 WeakPolarHBondContact O-CB 3.38Å; F111-N115 VanDerWaalsContact O-CG 3.32Å; F111-N115 PolarHBondContact O-N 3.43Å; F111-N115 PolarHBondContact O-ND2 2.97Å
112	K	90.8	Very high	86	Confident	96 Å²	96	52 Å²	52	42%	0.417	31%	0.312	S	S	.	.	H	α-helix	trans	-69.1	-51.5	175	-59.8	-175.3	-172.8	160.4	0	110	D109 F110 F114 N115 D116	D109-K112 HydrophobicContact CB-CB 4.38Å; D109-K112 HydrophobicContact CB-CD 3.97Å; D109-K112 HydrophobicContact CB-CG 4.25Å; D109-K112 VanDerWaalsContact CG-CE 3.46Å; D109-K112 WeakPolarHBondContact O-CA 3.41Å; D109-K112 VanDerWaalsContact O-CB 3.28Å; D109-K112 WeakPolarHBondContact O-CB 3.43Å; D109-K112 PolarHBondContact O-N 2.88Å; D109-K112 WeakPolarHBondContact OD1-CE 3.4Å; D109-K112 IonicContact OD1-NZ 2.77Å; D109-K112 PolarHBondContact OD1-NZ 2.95Å; D109-K112 WeakPolarHBondContact OD2-CE 3.46Å; D109-K112 IonicContact OD2-NZ 3.15Å; D109-K112 PolarHBondContact OD2-NZ 2.72Å; F110-K112 PolarHBondContact O-N 3.3Å; K112-F114 VanDerWaalsContact C-N 3.27Å; K112-F114 PolarHBondContact O-N 3.45Å; K112-N115 PolarHBondContact O-N 2.85Å; K112-D116 WeakPolarHBondContact O-CB 3.37Å; K112-D116 VanDerWaalsContact O-CG 3.31Å; K112-D116 PolarHBondContact O-N 2.77Å
113	A	93	Very high	86	Confident	45 Å²	45	58.9 Å²	58.9	37%	0.372	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-41	176.8	0	0	0	0	0	112.1	D109 F110 A117	D109-A113 PolarHBondContact O-N 3.33Å; F110-A113 PolarHBondContact O-N 3.44Å; A113-A117 WeakPolarHBondContact O-CB 3.08Å; A113-A117 PolarHBondContact O-N 2.83Å
114	F	96.3	Very high	86.1	Confident	0 Å²	0	61 Å²	61	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-53.7	173.3	173.8	-113.5	0	0	0	111.7	Y102 F110 K112 D116 A117 V118 F131 L134 H135 L138 F174	Y102-F114 AromaticContact CD2-CD1 3.89Å; Y102-F114 HydrophobicContact CD2-CD1 3.89Å; Y102-F114 AromaticContact CD2-CE1 3.97Å; Y102-F114 HydrophobicContact CD2-CE1 3.97Å; Y102-F114 HydrophobicContact CE2-CD1 4.12Å; Y102-F114 HydrophobicContact CE2-CE1 4.23Å; F110-F114 HydrophobicContact CE1-CB 4.11Å; F110-F114 WeakPolarHBondContact O-CB 3.28Å; F110-F114 PolarHBondContact O-N 3.33Å; K112-F114 VanDerWaalsContact C-N 3.27Å; K112-F114 PolarHBondContact O-N 3.45Å; F114-D116 VanDerWaalsContact C-N 3.3Å; F114-D116 PolarHBondContact O-N 3.36Å; F114-A117 PolarHBondContact O-N 3.43Å; F114-V118 HydrophobicContact CD1-CG2 4.46Å; F114-V118 HydrophobicContact CD2-CG2 3.98Å; F114-V118 HydrophobicContact CE1-CG2 4.14Å; F114-V118 HydrophobicContact CE2-CG2 3.61Å; F114-V118 HydrophobicContact CG-CG2 4.41Å; F114-V118 HydrophobicContact CZ-CG2 3.71Å; F114-V118 VanDerWaalsContact O-CG2 3.26Å; F114-V118 WeakPolarHBondContact O-CG2 3.41Å; F114-V118 PolarHBondContact O-N 3.42Å; F114-F131 HydrophobicContact CB-CD2 4.42Å; F114-F131 HydrophobicContact CB-CE2 4.49Å; F114-F131 HydrophobicContact CD2-CB 3.63Å; F114-F131 AromaticContact CD2-CD2 3.77Å; F114-F131 HydrophobicContact CD2-CD2 3.77Å; F114-F131 AromaticContact CD2-CG 3.79Å; F114-F131 HydrophobicContact CD2-CG 3.79Å; F114-F131 HydrophobicContact CE2-CB 3.81Å; F114-F131 HydrophobicContact CE2-CG 4.47Å; F114-L134 HydrophobicContact CD1-CD2 4.14Å; F114-L134 HydrophobicContact CD2-CD2 3.72Å; F114-L134 HydrophobicContact CD2-CG 4.28Å; F114-L134 HydrophobicContact CE1-CD2 4.24Å; F114-L134 HydrophobicContact CE1-CG 4.41Å; F114-L134 HydrophobicContact CE2-CB 4.17Å; F114-L134 HydrophobicContact CE2-CD2 3.85Å; F114-L134 HydrophobicContact CE2-CG 3.9Å; F114-L134 HydrophobicContact CG-CD2 3.86Å; F114-L134 HydrophobicContact CZ-CD2 4.1Å; F114-L134 HydrophobicContact CZ-CG 3.96Å; F114-H135 HydrophobicContact CE2-CB 4.21Å; F114-H135 HydrophobicContact CZ-CB 4.35Å; F114-L138 HydrophobicContact CE1-CD2 3.87Å; F114-L138 HydrophobicContact CZ-CD2 4.3Å; F114-F174 AromaticContact CE1-CD2 3.41Å; F114-F174 HydrophobicContact CE1-CD2 3.41Å; F114-F174 VanDerWaalsContact CE1-CD2 3.41Å; F114-F174 AromaticContact CE1-CE2 3.79Å; F114-F174 HydrophobicContact CE1-CE2 3.79Å; F114-F174 HydrophobicContact CE1-CG 4.18Å; F114-F174 AromaticContact CZ-CD2 3.67Å; F114-F174 HydrophobicContact CZ-CD2 3.67Å; F114-F174 AromaticContact CZ-CE2 3.53Å; F114-F174 HydrophobicContact CZ-CE2 3.53Å; F114-F174 HydrophobicContact CZ-CZ 4.46Å
115	N	96.3	Very high	86.4	Confident	16 Å²	16	58.5 Å²	58.5	9%	0.086	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-33.1	-179.1	-80.5	-21.6	0	0	0	112.8	Y102 F111 K112 V118 R119 F174	Y102-N115 PolarHBondContact OH-ND2 3.17Å; F111-N115 VanDerWaalsContact O-CB 3.22Å; F111-N115 WeakPolarHBondContact O-CB 3.38Å; F111-N115 VanDerWaalsContact O-CG 3.32Å; F111-N115 PolarHBondContact O-N 3.43Å; F111-N115 PolarHBondContact O-ND2 2.97Å; K112-N115 PolarHBondContact O-N 2.85Å; N115-V118 PolarHBondContact O-N 2.84Å; N115-R119 WeakPolarHBondContact O-CB 3.32Å; N115-R119 PolarHBondContact O-N 3.31Å; N115-F174 PolarHBondContact ND2-O 2.59Å; N115-F174 PolarHBondContact OD1-O 3.27Å
116	D	95.8	Very high	87.6	Confident	75 Å²	75	57.6 Å²	57.6	40%	0.401	32%	0.323	S	S	.	.	H	α-helix	trans	-67.1	-45.9	174.5	-74.7	-24.9	0	0	0	111.4	K112 F114 V118 R119 T120	K112-D116 WeakPolarHBondContact O-CB 3.37Å; K112-D116 VanDerWaalsContact O-CG 3.31Å; K112-D116 PolarHBondContact O-N 2.77Å; F114-D116 VanDerWaalsContact C-N 3.3Å; F114-D116 PolarHBondContact O-N 3.36Å; D116-V118 VanDerWaalsContact C-N 3.35Å; D116-V118 PolarHBondContact O-N 3.28Å; D116-R119 PolarHBondContact O-N 2.85Å; D116-R119 IonicContact OD1-CZ 3.25Å; D116-R119 IonicContact OD1-NE 2.76Å; D116-R119 IonicContact OD1-NH2 3.73Å; D116-R119 PolarHBondContact OD1-NH2 3.27Å; D116-T120 PolarHBondContact O-N 3.14Å; D116-T120 VanDerWaalsContact O-N 3.11Å; D116-T120 PolarHBondContact O-OG1 3.39Å
117	A	97.1	Very high	89.2	Confident	8 Å²	8	59.2 Å²	59.2	7%	0.066	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-44.3	173.6	0	0	0	0	0	111.2	A113 F114 R119 T120 N121 F129 F131	A113-A117 WeakPolarHBondContact O-CB 3.08Å; A113-A117 PolarHBondContact O-N 2.83Å; F114-A117 PolarHBondContact O-N 3.43Å; A117-R119 VanDerWaalsContact C-N 3.29Å; A117-R119 PolarHBondContact O-N 3.21Å; A117-T120 PolarHBondContact O-N 2.77Å; A117-N121 WeakPolarHBondContact O-CB 3.42Å; A117-N121 PolarHBondContact O-N 2.02Å; A117-F129 HydrophobicContact CB-CE2 3.97Å; A117-F131 HydrophobicContact CB-CD2 3.69Å; A117-F131 HydrophobicContact CB-CE2 3.7Å
118	V	98.3	Very high	91.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-39.7	176	175.3	0	0	0	0	110.6	S36 V37 F114 N115 D116 T120 F129 F174 P219	S36-V118 CarbonylContact C-O 3.43Å; S36-V118 WeakPolarHBondContact CA-O 3.1Å; V37-V118 HydrophobicContact CB-CG1 4.36Å; V37-V118 PolarHBondContact N-O 3.21Å; V37-V118 VanDerWaalsContact O-CG1 3.32Å; V37-V118 WeakPolarHBondContact O-CG1 3.39Å; F114-V118 HydrophobicContact CD1-CG2 4.46Å; F114-V118 HydrophobicContact CD2-CG2 3.98Å; F114-V118 HydrophobicContact CE1-CG2 4.14Å; F114-V118 HydrophobicContact CE2-CG2 3.61Å; F114-V118 HydrophobicContact CG-CG2 4.41Å; F114-V118 HydrophobicContact CZ-CG2 3.71Å; F114-V118 VanDerWaalsContact O-CG2 3.26Å; F114-V118 WeakPolarHBondContact O-CG2 3.41Å; F114-V118 PolarHBondContact O-N 3.42Å; N115-V118 PolarHBondContact O-N 2.84Å; D116-V118 VanDerWaalsContact C-N 3.35Å; D116-V118 PolarHBondContact O-N 3.28Å; V118-T120 PolarHBondContact O-N 2.87Å; V118-F129 HydrophobicContact CG2-CE2 4.48Å; V118-F129 HydrophobicContact CG2-CZ 4.07Å; V118-F174 HydrophobicContact CG1-CD2 4.4Å; V118-F174 HydrophobicContact CG2-CD2 4.45Å; V118-F174 HydrophobicContact CG2-CE2 4.44Å; V118-P219 HydrophobicContact CG1-CB 4.26Å
119	R	97	Very high	93.8	Very high	127 Å²	127	53 Å²	53	48%	0.479	28%	0.283	S	S	.	.	H	α-helix	trans	-71	-26.7	-177.8	-176	163.7	55.7	115.2	-0.9	114.4	N35 N115 D116 A117 G172	N35-R119 CarbonylContact C-O 3.55Å; N115-R119 WeakPolarHBondContact O-CB 3.32Å; N115-R119 PolarHBondContact O-N 3.31Å; D116-R119 PolarHBondContact O-N 2.85Å; D116-R119 IonicContact OD1-CZ 3.25Å; D116-R119 IonicContact OD1-NE 2.76Å; D116-R119 IonicContact OD1-NH2 3.73Å; D116-R119 PolarHBondContact OD1-NH2 3.27Å; A117-R119 VanDerWaalsContact C-N 3.29Å; A117-R119 PolarHBondContact O-N 3.21Å; R119-G172 VanDerWaalsContact CA-O 3.31Å; R119-G172 WeakPolarHBondContact CA-O 3.31Å
120	T	97	Very high	94.7	Very high	74 Å²	74	52 Å²	52	45%	0.454	28%	0.28	S	S	.	.	H	α-helix	trans	-120.4	-25.1	-166	56.9	0	0	0	0	115	N35 D116 A117 V118 R122	N35-T120 CarbonylContact O-C 3.44Å; N35-T120 VanDerWaalsContact O-C 3.27Å; D116-T120 PolarHBondContact O-N 3.14Å; D116-T120 VanDerWaalsContact O-N 3.11Å; D116-T120 PolarHBondContact O-OG1 3.39Å; A117-T120 PolarHBondContact O-N 2.77Å; V118-T120 PolarHBondContact O-N 2.87Å; T120-R122 PolarHBondContact O-N 2.91Å
121	N	97.5	Very high	95.1	Very high	47 Å²	47	52.3 Å²	52.3	25%	0.251	28%	0.281	S	S	.	.			trans	-98.9	31.3	-164.3	-67.8	-8.8	0	0	0	114.9	A117 Q123 Q124 Y125 F129	A117-N121 WeakPolarHBondContact O-CB 3.42Å; A117-N121 PolarHBondContact O-N 2.02Å; N121-Q123 PolarHBondContact O-N 2.67Å; N121-Q124 HydrophobicContact CB-CB 4.25Å; N121-Q124 PolarHBondContact O-N 3.48Å; N121-Q124 PolarHBondContact O-OE1 3.32Å; N121-Y125 PolarHBondContact O-N 3.16Å; N121-F129 HydrophobicContact CB-CD2 3.92Å; N121-F129 HydrophobicContact CB-CE2 4.5Å
122	R	97.1	Very high	95.5	Very high	77 Å²	77	49.4 Å²	49.4	29%	0.291	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-52.8	-42.8	176.2	-177.6	174.3	66.1	115.6	-5.1	112.6	V34 N35 T120 Q124 Y125 L252	V34-R122 WeakPolarHBondContact O-CD 3.05Å; V34-R122 VanDerWaalsContact O-CZ 3.25Å; V34-R122 PolarHBondContact O-NE 3.39Å; V34-R122 PolarHBondContact O-NH2 3.34Å; N35-R122 WeakPolarHBondContact O-CB 3.48Å; N35-R122 PolarHBondContact O-N 2.7Å; T120-R122 PolarHBondContact O-N 2.91Å; R122-Q124 PolarHBondContact O-N 3.27Å; R122-Y125 WeakPolarHBondContact O-CB 3.5Å; R122-Y125 PolarHBondContact O-N 3.14Å; R122-Y125 VanDerWaalsContact O-N 3.13Å; R122-L252 HydrophobicContact CG-CD1 4.07Å; R122-L252 HydrophobicContact CG-CD2 3.83Å; R122-L252 HydrophobicContact CG-CG 3.97Å
123	Q	96	Very high	95.9	Very high	151 Å²	151	44.8 Å²	44.8	71%	0.706	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-64.9	-30.5	-178.7	-66.5	-175.9	-1.8	0	0	112.5	N121 Y125	N121-Q123 PolarHBondContact O-N 2.67Å; Q123-Y125 VanDerWaalsContact C-N 3.32Å
124	Q	96.6	Very high	96.1	Very high	58 Å²	58	42.7 Å²	42.7	27%	0.271	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-87.8	-1.7	179	-62.6	71.9	21.2	0	0	112.4	N121 R122 G126 S127 S128 F129	N121-Q124 HydrophobicContact CB-CB 4.25Å; N121-Q124 PolarHBondContact O-N 3.48Å; N121-Q124 PolarHBondContact O-OE1 3.32Å; R122-Q124 PolarHBondContact O-N 3.27Å; Q124-G126 VanDerWaalsContact C-N 3.26Å; Q124-G126 PolarHBondContact O-N 3.23Å; Q124-S127 CarbonylContact O-C 3.56Å; Q124-S127 PolarHBondContact O-N 2.98Å; Q124-S127 PolarHBondContact O-OG 3.43Å; Q124-S128 WeakPolarHBondContact CG-OG 3.34Å; Q124-S128 PolarHBondContact O-N 3.4Å; Q124-S128 VanDerWaalsContact O-N 3.13Å; Q124-F129 WeakPolarHBondContact O-CB 3.38Å; Q124-F129 PolarHBondContact O-N 3.44Å
125	Y	95.8	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-39.1	-176.9	-171.9	-118.8	0	0	0	112.4	V37 D39 Y41 N121 R122 Q123 S127 F129 H132 L252 Q255 V256	V37-Y125 HydrophobicContact CB-CD2 4.34Å; V37-Y125 HydrophobicContact CG1-CD2 3.29Å; V37-Y125 HydrophobicContact CG1-CE2 3.32Å; V37-Y125 HydrophobicContact CG1-CG 4.12Å; V37-Y125 HydrophobicContact CG2-CD2 4.08Å; D39-Y125 HydrophobicContact CB-CE1 4.07Å; D39-Y125 VanDerWaalsContact CB-OH 3.31Å; D39-Y125 WeakPolarHBondContact CB-OH 3.49Å; D39-Y125 WeakPolarHBondContact OD2-CE1 3.46Å; D39-Y125 PolarHBondContact OD2-OH 2.96Å; Y41-Y125 WeakPolarHBondContact CE1-OH 3.3Å; Y41-Y125 PolarHBondContact OH-OH 3Å; N121-Y125 PolarHBondContact O-N 3.16Å; R122-Y125 WeakPolarHBondContact O-CB 3.5Å; R122-Y125 PolarHBondContact O-N 3.14Å; R122-Y125 VanDerWaalsContact O-N 3.13Å; Q123-Y125 VanDerWaalsContact C-N 3.32Å; Y125-S127 VanDerWaalsContact C-N 3.25Å; Y125-S127 PolarHBondContact O-N 2.66Å; Y125-F129 HydrophobicContact CD2-CB 4.46Å; Y125-F129 AromaticContact CD2-CD1 3.89Å; Y125-F129 HydrophobicContact CD2-CD1 3.89Å; Y125-F129 HydrophobicContact CD2-CE1 4.36Å; Y125-F129 HydrophobicContact CD2-CG 4.19Å; Y125-F129 HydrophobicContact CE2-CD1 4.18Å; Y125-F129 HydrophobicContact CE2-CE1 4.35Å; Y125-H132 AromaticContact CE2-CD2 3.79Å; Y125-H132 PolarHBondContact O-NE2 3.12Å; Y125-L252 HydrophobicContact CD1-CB 4.45Å; Y125-L252 HydrophobicContact CD1-CD1 3.53Å; Y125-L252 HydrophobicContact CD1-CD2 3.97Å; Y125-L252 HydrophobicContact CD1-CG 4.22Å; Y125-L252 HydrophobicContact CD2-CD1 4.17Å; Y125-L252 HydrophobicContact CE1-CB 4.43Å; Y125-L252 HydrophobicContact CE1-CD1 3.99Å; Y125-L252 HydrophobicContact CG-CD1 3.6Å; Y125-L252 HydrophobicContact CG-CD2 4.49Å; Y125-Q255 HydrophobicContact CD1-CB 4.29Å; Y125-Q255 HydrophobicContact CE1-CB 4.36Å; Y125-V256 HydrophobicContact CD1-CG1 3.62Å; Y125-V256 HydrophobicContact CE1-CB 4.37Å; Y125-V256 HydrophobicContact CE1-CG1 3.71Å; Y125-V256 HydrophobicContact CE1-CG2 3.82Å; Y125-V256 HydrophobicContact CG-CG1 4.33Å; Y125-V256 WeakPolarHBondContact O-CG1 3.28Å
126	G	92.9	Very high	96.4	Very high	30 Å²	30	42 Å²	42	31%	0.309	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-2.4	175.6	0	0	0	0	0	115.6	Q124 Q259	Q124-G126 VanDerWaalsContact C-N 3.26Å; Q124-G126 PolarHBondContact O-N 3.23Å; G126-Q259 PolarHBondContact O-OE1 2.88Å
127	S	90.3	Very high	96.5	Very high	75 Å²	75	38.5 Å²	38.5	52%	0.524	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.8	-93.3	-170.5	58.2	0	0	0	0	112.5	Q124 Y125	Q124-S127 CarbonylContact O-C 3.56Å; Q124-S127 PolarHBondContact O-N 2.98Å; Q124-S127 PolarHBondContact O-OG 3.43Å; Y125-S127 VanDerWaalsContact C-N 3.25Å; Y125-S127 PolarHBondContact O-N 2.66Å
128	S	92.8	Very high	96.6	Very high	86 Å²	86	38.1 Å²	38.1	60%	0.601	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	7	-167.3	58.5	0	0	0	0	114.8	Q124 P130	Q124-S128 WeakPolarHBondContact CG-OG 3.34Å; Q124-S128 PolarHBondContact O-N 3.4Å; Q124-S128 VanDerWaalsContact O-N 3.13Å; S128-P130 WeakPolarHBondContact O-CD 3.34Å
129	F	96.2	Very high	96.6	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.026	21%	0.205	C	C	.	.			trans	-55.8	126.6	173.2	179.7	-108.2	0	0	0	110.2	V37 A117 V118 N121 Q124 Y125 F131 H132 H135	V37-F129 HydrophobicContact CB-CE2 4.35Å; V37-F129 HydrophobicContact CB-CZ 4.36Å; V37-F129 HydrophobicContact CG1-CE1 4.29Å; V37-F129 HydrophobicContact CG1-CZ 4.17Å; V37-F129 HydrophobicContact CG2-CD2 3.93Å; V37-F129 HydrophobicContact CG2-CE2 3.76Å; V37-F129 HydrophobicContact CG2-CZ 4.21Å; A117-F129 HydrophobicContact CB-CE2 3.97Å; V118-F129 HydrophobicContact CG2-CE2 4.48Å; V118-F129 HydrophobicContact CG2-CZ 4.07Å; N121-F129 HydrophobicContact CB-CD2 3.92Å; N121-F129 HydrophobicContact CB-CE2 4.5Å; Q124-F129 WeakPolarHBondContact O-CB 3.38Å; Q124-F129 PolarHBondContact O-N 3.44Å; Y125-F129 HydrophobicContact CD2-CB 4.46Å; Y125-F129 AromaticContact CD2-CD1 3.89Å; Y125-F129 HydrophobicContact CD2-CD1 3.89Å; Y125-F129 HydrophobicContact CD2-CE1 4.36Å; Y125-F129 HydrophobicContact CD2-CG 4.19Å; Y125-F129 HydrophobicContact CE2-CD1 4.18Å; Y125-F129 HydrophobicContact CE2-CE1 4.35Å; F129-F131 HydrophobicContact CE1-CB 4Å; F129-F131 WeakPolarHBondContact CE1-O 3.45Å; F129-F131 HydrophobicContact CZ-CB 3.96Å; F129-H132 AromaticContact CD1-CD2 3.96Å; F129-H132 AromaticContact CD1-CE1 3.81Å; F129-H132 AromaticContact CD1-CG 3.91Å; F129-H132 AromaticContact CD1-ND1 3.82Å; F129-H132 AromaticContact CD1-NE2 3.89Å; F129-H132 PolarHBondContact O-CE1 2.93Å; F129-H132 PolarHBondContact O-ND1 3.3Å; F129-H135 HydrophobicContact CE1-CB 4.19Å
130	P	94.6	Very high	96.7	Very high	47 Å²	47	35.5 Å²	35.5	31%	0.305	20%	0.196	S	C	.	.	S	Bend	trans	-93.8	2.1	-165.1	33.8	-35.2	0	0	0	114.7	E60 S128	E60-P130 WeakPolarHBondContact CG-O 3.31Å; S128-P130 WeakPolarHBondContact O-CD 3.34Å
131	F	97.1	Very high	96.7	Very high	17 Å²	17	32 Å²	32	8%	0.075	17%	0.174	C	C	.	.			trans	-136.2	35.5	-168.2	-53.2	-54.8	0	0	0	113.6	F66 F110 F114 A117 F129 S133 H135	F66-F131 AromaticContact CD2-CD1 3.96Å; F66-F131 HydrophobicContact CD2-CD1 3.96Å; F66-F131 HydrophobicContact CD2-CE1 4.4Å; F110-F131 HydrophobicContact CE2-CD1 4.47Å; F110-F131 AromaticContact CE2-CE1 3.82Å; F110-F131 HydrophobicContact CE2-CE1 3.82Å; F110-F131 HydrophobicContact CE2-CZ 4.4Å; F110-F131 HydrophobicContact CZ-CD1 4.04Å; F110-F131 AromaticContact CZ-CE1 3.81Å; F110-F131 HydrophobicContact CZ-CE1 3.81Å; F114-F131 HydrophobicContact CB-CD2 4.42Å; F114-F131 HydrophobicContact CB-CE2 4.49Å; F114-F131 HydrophobicContact CD2-CB 3.63Å; F114-F131 AromaticContact CD2-CD2 3.77Å; F114-F131 HydrophobicContact CD2-CD2 3.77Å; F114-F131 AromaticContact CD2-CG 3.79Å; F114-F131 HydrophobicContact CD2-CG 3.79Å; F114-F131 HydrophobicContact CE2-CB 3.81Å; F114-F131 HydrophobicContact CE2-CG 4.47Å; A117-F131 HydrophobicContact CB-CD2 3.69Å; A117-F131 HydrophobicContact CB-CE2 3.7Å; F129-F131 HydrophobicContact CE1-CB 4Å; F129-F131 WeakPolarHBondContact CE1-O 3.45Å; F129-F131 HydrophobicContact CZ-CB 3.96Å; F131-S133 VanDerWaalsContact C-N 3.27Å; F131-S133 PolarHBondContact O-N 2.73Å; F131-H135 WeakPolarHBondContact O-CB 3.26Å; F131-H135 PolarHBondContact O-N 2.84Å
132	H	98.1	Very high	96.8	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-56.8	-41.8	177.1	-66.3	90.7	0	0	0	111.9	M48 Y56 E60 Y125 F129 F136	M48-H132 HydrophobicContact CE-CB 4.35Å; Y56-H132 HydrophobicContact CD1-CB 3.66Å; Y56-H132 AromaticContact CD1-CG 3.49Å; Y56-H132 VanDerWaalsContact CD1-CG 3.49Å; Y56-H132 AromaticContact CD1-ND1 3.38Å; Y56-H132 WeakPolarHBondContact CD1-ND1 3.29Å; Y56-H132 HydrophobicContact CD2-CB 3.78Å; Y56-H132 HydrophobicContact CE1-CB 4.08Å; Y56-H132 AromaticContact CE1-CD2 3.71Å; Y56-H132 AromaticContact CE1-CE1 3.52Å; Y56-H132 AromaticContact CE1-CG 3.47Å; Y56-H132 VanDerWaalsContact CE1-CG 3.47Å; Y56-H132 AromaticContact CE1-ND1 3.35Å; Y56-H132 WeakPolarHBondContact CE1-ND1 3.32Å; Y56-H132 AromaticContact CE1-NE2 3.73Å; Y56-H132 HydrophobicContact CE2-CB 4.19Å; Y56-H132 HydrophobicContact CG-CB 3.5Å; Y56-H132 VanDerWaalsContact CG-CB 3.5Å; Y56-H132 AromaticContact CG-CG 3.85Å; Y56-H132 AromaticContact CZ-CD2 3.66Å; Y56-H132 AromaticContact CZ-CG 3.79Å; Y56-H132 AromaticContact CZ-NE2 3.89Å; E60-H132 WeakPolarHBondContact OE1-CA 3.42Å; E60-H132 WeakPolarHBondContact OE1-CB 3.45Å; E60-H132 PolarHBondContact OE1-N 2.88Å; E60-H132 IonicContact OE1-ND1 2.64Å; Y125-H132 AromaticContact CE2-CD2 3.79Å; Y125-H132 PolarHBondContact O-NE2 3.12Å; F129-H132 AromaticContact CD1-CD2 3.96Å; F129-H132 AromaticContact CD1-CE1 3.81Å; F129-H132 AromaticContact CD1-CG 3.91Å; F129-H132 AromaticContact CD1-ND1 3.82Å; F129-H132 AromaticContact CD1-NE2 3.89Å; F129-H132 PolarHBondContact O-CE1 2.93Å; F129-H132 PolarHBondContact O-ND1 3.3Å; H132-F136 VanDerWaalsContact O-CB 3.27Å; H132-F136 WeakPolarHBondContact O-CB 3.41Å; H132-F136 PolarHBondContact O-N 3.48Å
133	S	98.3	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.1	-48.6	-175.6	-43.2	0	0	0	0	111.3	F57 E60 F131 F136 W137	F57-S133 WeakPolarHBondContact CA-OG 3.21Å; F57-S133 PolarHBondContact N-OG 2.96Å; F57-S133 VanDerWaalsContact N-OG 3.13Å; E60-S133 PolarHBondContact OE1-N 3.37Å; E60-S133 WeakPolarHBondContact OE2-CB 3.38Å; E60-S133 PolarHBondContact OE2-N 2.83Å; E60-S133 VanDerWaalsContact OE2-N 3.15Å; E60-S133 PolarHBondContact OE2-OG 2.93Å; F131-S133 VanDerWaalsContact C-N 3.27Å; F131-S133 PolarHBondContact O-N 2.73Å; S133-F136 PolarHBondContact O-N 2.94Å; S133-W137 VanDerWaalsContact CB-CZ3 3.48Å; S133-W137 PolarHBondContact O-N 3Å
134	L	98.3	Very high	96.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-44.2	178	178.8	62.8	0	0	0	111.8	F66 A98 V101 F110 F114 F136 W137 L138	F66-L134 HydrophobicContact CE2-CB 4.01Å; A98-L134 HydrophobicContact CB-CD1 3.65Å; V101-L134 HydrophobicContact CB-CD1 4.38Å; V101-L134 HydrophobicContact CG1-CD1 4.29Å; V101-L134 HydrophobicContact CG1-CD2 3.93Å; F110-L134 HydrophobicContact CD1-CD2 4.49Å; F110-L134 HydrophobicContact CE1-CD2 3.4Å; F110-L134 VanDerWaalsContact CE1-CD2 3.4Å; F110-L134 HydrophobicContact CZ-CD2 3.99Å; F114-L134 HydrophobicContact CD1-CD2 4.14Å; F114-L134 HydrophobicContact CD2-CD2 3.72Å; F114-L134 HydrophobicContact CD2-CG 4.28Å; F114-L134 HydrophobicContact CE1-CD2 4.24Å; F114-L134 HydrophobicContact CE1-CG 4.41Å; F114-L134 HydrophobicContact CE2-CB 4.17Å; F114-L134 HydrophobicContact CE2-CD2 3.85Å; F114-L134 HydrophobicContact CE2-CG 3.9Å; F114-L134 HydrophobicContact CG-CD2 3.86Å; F114-L134 HydrophobicContact CZ-CD2 4.1Å; F114-L134 HydrophobicContact CZ-CG 3.96Å; L134-F136 VanDerWaalsContact C-N 3.3Å; L134-F136 PolarHBondContact O-N 2.72Å; L134-W137 PolarHBondContact O-N 2.78Å; L134-L138 HydrophobicContact CD1-CB 4.47Å; L134-L138 WeakPolarHBondContact O-CB 3.49Å; L134-L138 PolarHBondContact O-N 3.02Å
135	H	98.6	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.7	-46.7	177.1	-178.4	-76.9	0	0	0	111.2	V37 D39 Y41 F114 F129 F131 T139 F174	V37-H135 PolarHBondContact O-NE2 2.81Å; V37-H135 VanDerWaalsContact O-NE2 3.13Å; D39-H135 PolarHBondContact O-CE1 3.39Å; Y41-H135 AromaticContact CE2-ND1 3.69Å; Y41-H135 AromaticContact CZ-ND1 3.61Å; Y41-H135 PolarHBondContact OH-ND1 3.15Å; F114-H135 HydrophobicContact CE2-CB 4.21Å; F114-H135 HydrophobicContact CZ-CB 4.35Å; F129-H135 HydrophobicContact CE1-CB 4.19Å; F131-H135 WeakPolarHBondContact O-CB 3.26Å; F131-H135 PolarHBondContact O-N 2.84Å; H135-T139 VanDerWaalsContact O-CB 3.25Å; H135-T139 WeakPolarHBondContact O-CB 3.32Å; H135-T139 PolarHBondContact O-N 3.37Å; H135-T139 PolarHBondContact O-OG1 2.97Å; H135-F174 AromaticContact CD2-CE2 3.6Å; H135-F174 AromaticContact NE2-CE2 3.99Å
136	F	98.7	Very high	96.8	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-57.1	178.5	174.1	-102.8	0	0	0	112.2	Y41 A45 M48 E49 V52 H132 S133 L134 L138 T139 R140	Y41-F136 AromaticContact CD1-CD2 4Å; Y41-F136 HydrophobicContact CD1-CD2 4Å; Y41-F136 HydrophobicContact CD1-CE2 4.43Å; Y41-F136 AromaticContact CD2-CD2 3.73Å; Y41-F136 HydrophobicContact CD2-CD2 3.73Å; Y41-F136 HydrophobicContact CD2-CE2 4.24Å; Y41-F136 AromaticContact CE1-CD2 3.98Å; Y41-F136 HydrophobicContact CE1-CD2 3.98Å; Y41-F136 HydrophobicContact CE2-CB 4.17Å; Y41-F136 AromaticContact CE2-CD2 3.72Å; Y41-F136 HydrophobicContact CE2-CD2 3.72Å; Y41-F136 HydrophobicContact CE2-CG 4.42Å; Y41-F136 AromaticContact CG-CD2 3.84Å; Y41-F136 HydrophobicContact CG-CD2 3.84Å; Y41-F136 HydrophobicContact CG-CE2 4.09Å; Y41-F136 AromaticContact CZ-CD2 3.8Å; A45-F136 WeakPolarHBondContact O-CZ 3.35Å; M48-F136 HydrophobicContact CB-CD2 3.89Å; M48-F136 HydrophobicContact CB-CE2 3.7Å; M48-F136 HydrophobicContact CB-CZ 4.45Å; M48-F136 HydrophobicContact CG-CB 4.49Å; M48-F136 HydrophobicContact CG-CD2 3.36Å; M48-F136 HydrophobicContact CG-CE2 3.74Å; M48-F136 HydrophobicContact CG-CG 3.98Å; E49-F136 HydrophobicContact CB-CE1 3.65Å; E49-F136 HydrophobicContact CB-CZ 3.59Å; E49-F136 HydrophobicContact CG-CE1 3.91Å; E49-F136 HydrophobicContact CG-CZ 4.31Å; V52-F136 HydrophobicContact CB-CD1 4.27Å; V52-F136 HydrophobicContact CG1-CD1 4.4Å; V52-F136 HydrophobicContact CG2-CB 3.83Å; V52-F136 HydrophobicContact CG2-CD1 3.91Å; V52-F136 HydrophobicContact CG2-CG 3.9Å; H132-F136 VanDerWaalsContact O-CB 3.27Å; H132-F136 WeakPolarHBondContact O-CB 3.41Å; H132-F136 PolarHBondContact O-N 3.48Å; S133-F136 PolarHBondContact O-N 2.94Å; L134-F136 VanDerWaalsContact C-N 3.3Å; L134-F136 PolarHBondContact O-N 2.72Å; F136-L138 VanDerWaalsContact C-N 3.32Å; F136-L138 PolarHBondContact O-N 2.94Å; F136-T139 PolarHBondContact O-N 3.39Å; F136-R140 HydrophobicContact CD2-CG 4.18Å; F136-R140 HydrophobicContact CE1-CG 4.12Å; F136-R140 HydrophobicContact CE2-CG 3.67Å; F136-R140 HydrophobicContact CZ-CG 3.63Å; F136-R140 WeakPolarHBondContact O-CG 3.44Å; F136-R140 PolarHBondContact O-N 3.42Å
137	W	98.9	Very high	96.6	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-35.5	-175.8	-72.4	-47	0	0	0	112.8	V52 K53 F57 W70 D94 H95 A98 S133 L134 R140 A141	V52-W137 HydrophobicContact CG1-CD2 4.22Å; V52-W137 HydrophobicContact CG1-CE3 4.45Å; V52-W137 HydrophobicContact CG1-CH2 3.78Å; V52-W137 HydrophobicContact CG1-CZ2 3.46Å; V52-W137 VanDerWaalsContact CG1-CZ2 3.46Å; V52-W137 HydrophobicContact CG1-CZ3 4.26Å; K53-W137 HydrophobicContact CG-CZ2 4.24Å; F57-W137 HydrophobicContact CB-CH2 3.96Å; F57-W137 HydrophobicContact CD1-CH2 4.27Å; F57-W137 AromaticContact CD2-CH2 3.42Å; F57-W137 HydrophobicContact CD2-CH2 3.42Å; F57-W137 VanDerWaalsContact CD2-CH2 3.42Å; F57-W137 AromaticContact CD2-CZ3 3.45Å; F57-W137 HydrophobicContact CD2-CZ3 3.45Å; F57-W137 VanDerWaalsContact CD2-CZ3 3.45Å; F57-W137 AromaticContact CE2-CH2 3.93Å; F57-W137 HydrophobicContact CE2-CH2 3.93Å; F57-W137 AromaticContact CE2-CZ3 3.81Å; F57-W137 HydrophobicContact CE2-CZ3 3.81Å; F57-W137 AromaticContact CG-CH2 3.61Å; F57-W137 HydrophobicContact CG-CH2 3.61Å; F57-W137 HydrophobicContact CG-CZ3 4.13Å; W70-W137 HydrophobicContact CH2-CD2 4.28Å; W70-W137 AromaticContact CH2-CE3 3.35Å; W70-W137 HydrophobicContact CH2-CE3 3.35Å; W70-W137 HydrophobicContact CH2-CH2 4.34Å; W70-W137 AromaticContact CH2-CZ3 3.38Å; W70-W137 HydrophobicContact CH2-CZ3 3.38Å; W70-W137 HydrophobicContact CZ2-CE3 4.11Å; W70-W137 HydrophobicContact CZ2-CH2 4.3Å; W70-W137 AromaticContact CZ2-CZ3 3.69Å; W70-W137 HydrophobicContact CZ2-CZ3 3.69Å; W70-W137 AromaticContact CZ3-CE3 3.84Å; W70-W137 HydrophobicContact CZ3-CE3 3.84Å; W70-W137 AromaticContact CZ3-CZ3 3.93Å; W70-W137 HydrophobicContact CZ3-CZ3 3.93Å; D94-W137 HydrophobicContact CB-CD2 3.8Å; D94-W137 HydrophobicContact CB-CE3 4.41Å; D94-W137 HydrophobicContact CB-CG 4.03Å; D94-W137 HydrophobicContact CB-CH2 4.46Å; D94-W137 HydrophobicContact CB-CZ2 3.88Å; H95-W137 AromaticContact CD2-CD1 3.75Å; H95-W137 PolarHBondContact CD2-O 3.47Å; H95-W137 AromaticContact NE2-CD1 3.92Å; A98-W137 HydrophobicContact CB-CB 3.74Å; S133-W137 VanDerWaalsContact CB-CZ3 3.48Å; S133-W137 PolarHBondContact O-N 3Å; L134-W137 PolarHBondContact O-N 2.78Å; W137-R140 PolarHBondContact O-N 2.8Å; W137-A141 VanDerWaalsContact O-CB 3.24Å; W137-A141 WeakPolarHBondContact O-CB 3.15Å; W137-A141 PolarHBondContact O-N 2.87Å
138	L	98.6	Very high	96.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-70.3	-40.9	177	-165	63.3	0	0	0	111.5	I99 Y102 F114 L134 F136 R140 A141 I142 F174 L216	I99-L138 HydrophobicContact CG1-CD1 4.31Å; Y102-L138 HydrophobicContact CD2-CD2 3.57Å; Y102-L138 HydrophobicContact CE2-CD2 4.26Å; Y102-L138 HydrophobicContact CG-CD1 4.48Å; Y102-L138 HydrophobicContact CG-CD2 3.74Å; F114-L138 HydrophobicContact CE1-CD2 3.87Å; F114-L138 HydrophobicContact CZ-CD2 4.3Å; L134-L138 HydrophobicContact CD1-CB 4.47Å; L134-L138 WeakPolarHBondContact O-CB 3.49Å; L134-L138 PolarHBondContact O-N 3.02Å; F136-L138 VanDerWaalsContact C-N 3.32Å; F136-L138 PolarHBondContact O-N 2.94Å; L138-R140 PolarHBondContact O-N 3.41Å; L138-A141 PolarHBondContact O-N 2.85Å; L138-I142 WeakPolarHBondContact O-CG1 3.24Å; L138-I142 PolarHBondContact O-N 2.94Å; L138-F174 HydrophobicContact CB-CE1 4.02Å; L138-F174 HydrophobicContact CB-CZ 4.15Å; L138-F174 HydrophobicContact CD2-CB 4.45Å; L138-F174 HydrophobicContact CD2-CD1 3.66Å; L138-F174 HydrophobicContact CD2-CD2 4.15Å; L138-F174 HydrophobicContact CD2-CE1 3.82Å; L138-F174 HydrophobicContact CD2-CE2 4.31Å; L138-F174 HydrophobicContact CD2-CG 3.82Å; L138-F174 HydrophobicContact CD2-CZ 4.15Å; L138-F174 HydrophobicContact CG-CD1 3.94Å; L138-F174 HydrophobicContact CG-CE1 3.76Å; L138-F174 HydrophobicContact CG-CZ 4.29Å; L138-L216 HydrophobicContact CD1-CD2 3.71Å; L138-L216 HydrophobicContact CD2-CD2 3.98Å; L138-L216 HydrophobicContact CG-CD2 3.87Å
139	T	98.6	Very high	96.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-48.1	172.8	-62.6	0	0	0	0	111.2	Y41 H135 F136 I142 Q143 F174 Y220	Y41-T139 HydrophobicContact CD2-CG2 3.84Å; Y41-T139 HydrophobicContact CE2-CG2 4.05Å; H135-T139 VanDerWaalsContact O-CB 3.25Å; H135-T139 WeakPolarHBondContact O-CB 3.32Å; H135-T139 PolarHBondContact O-N 3.37Å; H135-T139 PolarHBondContact O-OG1 2.97Å; F136-T139 PolarHBondContact O-N 3.39Å; T139-I142 PolarHBondContact O-N 2.9Å; T139-Q143 VanDerWaalsContact O-CG 3.31Å; T139-Q143 WeakPolarHBondContact O-CG 3.47Å; T139-Q143 PolarHBondContact O-N 2.94Å; T139-F174 WeakPolarHBondContact OG1-CZ 3.22Å; T139-Y220 HydrophobicContact CG2-CE1 4.05Å
140	R	98.4	Very high	96.4	Very high	72 Å²	72	32.9 Å²	32.9	27%	0.272	17%	0.166	S	C	.	.	H	α-helix	trans	-65.7	-39.4	178.4	-68.9	-55.6	-57.1	163	-4.2	112.2	F136 W137 L138 I142 Q143 I144	F136-R140 HydrophobicContact CD2-CG 4.18Å; F136-R140 HydrophobicContact CE1-CG 4.12Å; F136-R140 HydrophobicContact CE2-CG 3.67Å; F136-R140 HydrophobicContact CZ-CG 3.63Å; F136-R140 WeakPolarHBondContact O-CG 3.44Å; F136-R140 PolarHBondContact O-N 3.42Å; W137-R140 PolarHBondContact O-N 2.8Å; L138-R140 PolarHBondContact O-N 3.41Å; R140-I142 PolarHBondContact O-N 3.22Å; R140-Q143 PolarHBondContact O-N 2.53Å; R140-I144 WeakPolarHBondContact O-CD1 3.5Å; R140-I144 VanDerWaalsContact O-CG1 3.27Å; R140-I144 WeakPolarHBondContact O-CG1 3.24Å; R140-I144 PolarHBondContact O-N 3.09Å
141	A	98.5	Very high	96.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-59.9	-45.9	176.3	0	0	0	0	0	111.7	L91 H95 I99 W137 L138 I144 L145	L91-A141 HydrophobicContact CD2-CB 4.16Å; H95-A141 HydrophobicContact CB-CB 4.02Å; I99-A141 HydrophobicContact CD1-CB 4.11Å; I99-A141 HydrophobicContact CG1-CB 4.17Å; W137-A141 VanDerWaalsContact O-CB 3.24Å; W137-A141 WeakPolarHBondContact O-CB 3.15Å; W137-A141 PolarHBondContact O-N 2.87Å; L138-A141 PolarHBondContact O-N 2.85Å; A141-I144 PolarHBondContact O-N 3.25Å; A141-L145 WeakPolarHBondContact O-CB 2.95Å; A141-L145 WeakPolarHBondContact O-CG 3.42Å; A141-L145 PolarHBondContact O-N 3.27Å
142	I	98.4	Very high	96.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-46.8	175.4	-68.7	168	0	0	0	110.8	L138 T139 R140 I144 L145 N146 F174 Y198 L216 P218	L138-I142 WeakPolarHBondContact O-CG1 3.24Å; L138-I142 PolarHBondContact O-N 2.94Å; T139-I142 PolarHBondContact O-N 2.9Å; R140-I142 PolarHBondContact O-N 3.22Å; I142-I144 VanDerWaalsContact C-N 3.28Å; I142-I144 PolarHBondContact O-N 3.21Å; I142-L145 CarbonylContact O-C 3.58Å; I142-L145 PolarHBondContact O-N 3.38Å; I142-N146 VanDerWaalsContact O-CB 3.28Å; I142-N146 WeakPolarHBondContact O-CB 3.45Å; I142-N146 PolarHBondContact O-N 3.23Å; I142-F174 HydrophobicContact CD1-CD1 3.57Å; I142-F174 HydrophobicContact CD1-CE1 3.63Å; I142-Y198 VanDerWaalsContact CG2-O 3.26Å; I142-Y198 WeakPolarHBondContact CG2-O 3.31Å; I142-L216 HydrophobicContact CD1-CB 4.19Å; I142-L216 HydrophobicContact CD1-CD2 3.76Å; I142-L216 HydrophobicContact CD1-CG 3.7Å; I142-L216 HydrophobicContact CG1-CB 4.3Å; I142-L216 HydrophobicContact CG1-CD2 4.16Å; I142-L216 HydrophobicContact CG1-CG 4.27Å; I142-P218 HydrophobicContact CD1-CB 4.31Å; I142-P218 HydrophobicContact CG2-CB 4.47Å; I142-P218 HydrophobicContact CG2-CG 4.34Å
143	Q	97.3	Very high	96.7	Very high	48 Å²	48	35 Å²	35	22%	0.224	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-34.8	179.6	-72	169.4	-15.6	0	0	112.5	R40 T139 R140 Y220	R40-Q143 PolarHBondContact O-NE2 2.72Å; T139-Q143 VanDerWaalsContact O-CG 3.31Å; T139-Q143 WeakPolarHBondContact O-CG 3.47Å; T139-Q143 PolarHBondContact O-N 2.94Å; R140-Q143 PolarHBondContact O-N 2.53Å; Q143-Y220 PolarHBondContact NE2-OH 2.71Å
144	I	97.3	Very high	96.7	Very high	32 Å²	32	36 Å²	36	16%	0.164	18%	0.18	C	C	.	.	H	α-helix	trans	-71.1	-42.3	175	-69.9	161.3	0	0	0	111.1	A90 L91 R140 A141 I142 N146 H147	A90-I144 HydrophobicContact CB-CD1 4.21Å; A90-I144 HydrophobicContact CB-CG1 4.27Å; A90-I144 HydrophobicContact CB-CG2 3.88Å; L91-I144 HydrophobicContact CD2-CB 3.93Å; L91-I144 HydrophobicContact CD2-CD1 4.08Å; L91-I144 HydrophobicContact CD2-CG2 3.72Å; L91-I144 HydrophobicContact CG-CG2 3.83Å; R140-I144 WeakPolarHBondContact O-CD1 3.5Å; R140-I144 VanDerWaalsContact O-CG1 3.27Å; R140-I144 WeakPolarHBondContact O-CG1 3.24Å; R140-I144 PolarHBondContact O-N 3.09Å; A141-I144 PolarHBondContact O-N 3.25Å; I142-I144 VanDerWaalsContact C-N 3.28Å; I142-I144 PolarHBondContact O-N 3.21Å; I144-N146 VanDerWaalsContact C-N 3.31Å; I144-H147 PolarHBondContact O-CD2 2.67Å; I144-H147 PolarHBondContact O-NE2 3.09Å
145	L	97.2	Very high	96.7	Very high	3 Å²	3	39 Å²	39	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-75.1	-19.9	-179.8	-73.2	169.7	0	0	0	113.3	L91 I99 A141 I142 H147 L202 Y205	L91-L145 HydrophobicContact CD1-CD2 3.86Å; L91-L145 HydrophobicContact CD1-CG 4.15Å; L91-L145 HydrophobicContact CD2-CG 4.47Å; I99-L145 HydrophobicContact CD1-CD1 4.06Å; A141-L145 WeakPolarHBondContact O-CB 2.95Å; A141-L145 WeakPolarHBondContact O-CG 3.42Å; A141-L145 PolarHBondContact O-N 3.27Å; I142-L145 CarbonylContact O-C 3.58Å; I142-L145 PolarHBondContact O-N 3.38Å; L145-H147 PolarHBondContact O-CD2 3.43Å; L145-H147 PolarHBondContact O-N 3.46Å; L145-L202 HydrophobicContact CD1-CD2 3.9Å; L145-Y205 HydrophobicContact CD2-CD2 4.37Å; L145-Y205 HydrophobicContact CD2-CE2 4.06Å
146	N	94.4	Very high	96.7	Very high	23 Å²	23	40 Å²	40	12%	0.123	20%	0.196	C	C	.	.			trans	-78.8	99	175.1	-174	-70.6	0	0	0	109.6	I142 I144 N148 C197 Y198 G199	I142-N146 VanDerWaalsContact O-CB 3.28Å; I142-N146 WeakPolarHBondContact O-CB 3.45Å; I142-N146 PolarHBondContact O-N 3.23Å; I144-N146 VanDerWaalsContact C-N 3.31Å; N146-N148 PolarHBondContact O-N 3.45Å; N146-N148 PolarHBondContact OD1-N 2.98Å; N146-N148 VanDerWaalsContact OD1-N 3.13Å; N146-C197 PolarHBondContact ND2-O 3.01Å; N146-Y198 VanDerWaalsContact ND2-C 3.26Å; N146-Y198 WeakPolarHBondContact ND2-CA 3.43Å; N146-G199 PolarHBondContact ND2-O 2.88Å
147	H	88.8	Confident	96.6	Very high	83 Å²	83	40.7 Å²	40.7	38%	0.384	20%	0.199	S	C	.	.			trans	-88.5	41.6	179.8	-60	-179.4	0	0	0	111.9	D88 I144 L145 K149	D88-H147 IonicContact OD1-CE1 3.89Å; D88-H147 IonicContact OD1-NE2 2.74Å; I144-H147 PolarHBondContact O-CD2 2.67Å; I144-H147 PolarHBondContact O-NE2 3.09Å; L145-H147 PolarHBondContact O-CD2 3.43Å; L145-H147 PolarHBondContact O-N 3.46Å; H147-K149 PolarHBondContact O-N 3.34Å
148	N	87.3	Confident	96.5	Very high	159 Å²	159	45.4 Å²	45.4	85%	0.85	23%	0.229	S	C	*	.	S	Bend	trans	54.4	35.3	-173.3	-59.5	-38.9	0	0	0	113.3	N146	N146-N148 PolarHBondContact O-N 3.45Å; N146-N148 PolarHBondContact OD1-N 2.98Å; N146-N148 VanDerWaalsContact OD1-N 3.13Å
149	K	90.8	Very high	96.3	Very high	127 Å²	127	48.4 Å²	48.4	55%	0.552	25%	0.249	S	C	*	.			trans	-112.5	138.9	178.7	-70.7	-177.1	-179.3	-176.6	0	109.7	H147 Y151	H147-K149 PolarHBondContact O-N 3.34Å; K149-Y151 HydrophobicContact CB-CE2 4.46Å
150	C	97.4	Very high	96.2	Very high	73 Å²	73	51.8 Å²	51.8	49%	0.493	27%	0.27	S	S	.	.			trans	-90.8	144.4	168	-49.2	0	0	0	0	110.7	T195 T196 C197	C150-T195 HydrophobicContact CB-CG2 4.32Å; C150-T196 CarbonylContact C-O 3.32Å; C150-T196 WeakPolarHBondContact CA-O 3.49Å; C150-T196 WeakPolarHBondContact CB-O 3.28Å; C150-C197 HydrophobicContact CB-CB 4.08Å; C150-C197 WeakPolarHBondContact CB-SG 3.32Å; C150-C197 WeakPolarHBondContact SG-CB 3.38Å; C150-C197 CovalentContact SG-SG 2.04Å; C150-C197 PolarHBondContact SG-SG 3.38Å
151	Y	97.7	Very high	96.1	Very high	38 Å²	38	49.8 Å²	49.8	15%	0.149	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.1	177.2	-57.9	-78.1	0	0	0	110	K149 T195 T196 V215	K149-Y151 HydrophobicContact CB-CE2 4.46Å; Y151-T195 CarbonylContact O-C 3.57Å; Y151-T195 WeakPolarHBondContact O-CA 3.2Å; Y151-T196 PolarHBondContact N-O 3.38Å; Y151-T196 PolarHBondContact O-N 3.46Å; Y151-V215 HydrophobicContact CD2-CG1 4.12Å; Y151-V215 HydrophobicContact CG-CG1 4.49Å; Y151-V215 HydrophobicContact CG-CG2 4.44Å
152	T	98.4	Very high	96.1	Very high	72 Å²	72	52.4 Å²	52.4	44%	0.442	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	122.5	159.5	-63.1	0	0	0	0	108	F154 K193 I194	T152-F154 HydrophobicContact CG2-CZ 4.5Å; T152-K193 HydrophobicContact CG2-CG 4.28Å; T152-I194 CarbonylContact C-O 3.27Å; T152-I194 VanDerWaalsContact CA-O 3.3Å; T152-I194 WeakPolarHBondContact CA-O 3.23Å
153	T	98.6	Very high	96.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	165.9	-175.7	70.2	0	0	0	0	110.9	S177 S178 I194 T196 V215	T153-S177 VanDerWaalsContact CB-OG 3.29Å; T153-S177 WeakPolarHBondContact CB-OG 3.34Å; T153-S177 VanDerWaalsContact OG1-CB 3.32Å; T153-S177 WeakPolarHBondContact OG1-CB 3.12Å; T153-S177 PolarHBondContact OG1-OG 2.95Å; T153-S178 CarbonylContact C-O 3.41Å; T153-S178 WeakPolarHBondContact CA-O 3.46Å; T153-S178 WeakPolarHBondContact CB-O 2.88Å; T153-I194 PolarHBondContact N-O 3Å; T153-I194 PolarHBondContact O-N 3.18Å; T153-T196 HydrophobicContact CG2-CG2 4.08Å; T153-V215 HydrophobicContact CG2-CB 3.7Å; T153-V215 HydrophobicContact CG2-CG1 3.96Å; T153-V215 HydrophobicContact CG2-CG2 3.7Å
154	F	98.8	Very high	96.1	Very high	20 Å²	20	55.8 Å²	55.8	9%	0.088	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.8	-176.6	-56.4	-87	0	0	0	109.1	T152 S177 S178 F192 K193 E233 L234	T152-F154 HydrophobicContact CG2-CZ 4.5Å; F154-S177 CarbonylContact O-C 3.57Å; F154-S177 WeakPolarHBondContact O-CA 3.22Å; F154-S178 PolarHBondContact N-O 2.81Å; F154-S178 PolarHBondContact O-N 2.83Å; F154-F192 VanDerWaalsContact CA-O 3.28Å; F154-F192 WeakPolarHBondContact CA-O 3.15Å; F154-K193 HydrophobicContact CD1-CB 4.37Å; F154-K193 HydrophobicContact CD1-CG 4.4Å; F154-K193 HydrophobicContact CE1-CB 4.29Å; F154-K193 HydrophobicContact CE1-CD 4.07Å; F154-K193 HydrophobicContact CE1-CG 3.94Å; F154-E233 HydrophobicContact CE1-CB 3.87Å; F154-E233 HydrophobicContact CE1-CG 4.34Å; F154-E233 HydrophobicContact CZ-CB 4.15Å; F154-E233 HydrophobicContact CZ-CG 4.18Å; F154-L234 HydrophobicContact CD1-CD1 4.09Å; F154-L234 HydrophobicContact CD1-CD2 3.96Å; F154-L234 HydrophobicContact CD1-CG 4.02Å; F154-L234 HydrophobicContact CE1-CG 4.41Å
155	R	98.4	Very high	96.2	Very high	63 Å²	63	58.3 Å²	58.3	24%	0.238	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128	172.5	178	175.3	173.1	80.2	-1.8	108.5	T157 S176 C191 F192 I194	R155-T157 HydrophobicContact CG-CG2 4.37Å; R155-S176 WeakPolarHBondContact CD-O 3.35Å; R155-S176 WeakPolarHBondContact CG-O 3.37Å; R155-S176 PolarHBondContact NH1-O 3.2Å; R155-C191 CarbonylContact O-C 3.59Å; R155-C191 VanDerWaalsContact O-CA 3.29Å; R155-C191 WeakPolarHBondContact O-CA 3.26Å; R155-F192 HydrophobicContact CB-CB 4.24Å; R155-F192 HydrophobicContact CB-CD2 4.23Å; R155-F192 HydrophobicContact CG-CD2 4.3Å; R155-F192 PolarHBondContact N-O 3.45Å; R155-F192 PolarHBondContact O-N 3.19Å; R155-I194 HydrophobicContact CB-CD1 3.88Å
156	R	97.9	Very high	96.2	Very high	23 Å²	23	63.1 Å²	63.1	9%	0.087	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.2	-179.6	-72.7	-179.8	170.6	-102.1	1.7	109.2	S181 L183 F186 G187 C191 D236	R156-S181 PolarHBondContact NE-O 2.9Å; R156-S181 PolarHBondContact NH2-O 3.07Å; R156-L183 VanDerWaalsContact CD-O 3.32Å; R156-L183 WeakPolarHBondContact CD-O 3.44Å; R156-F186 CarbonylContact C-O 3.59Å; R156-F186 HydrophobicContact CB-CB 4Å; R156-G187 WeakPolarHBondContact CB-O 3.24Å; R156-C191 HydrophobicContact CG-CB 4.49Å; R156-D236 IonicContact CZ-OD1 2.76Å; R156-D236 IonicContact CZ-OD2 2.67Å; R156-D236 IonicContact NH1-OD1 2.74Å; R156-D236 PolarHBondContact NH1-OD1 2.04Å; R156-D236 IonicContact NH1-OD2 3.74Å; R156-D236 PolarHBondContact NH1-OD2 2.86Å; R156-D236 VanDerWaalsContact NH1-OD2 3.08Å; R156-D236 IonicContact NH2-OD1 2.71Å; R156-D236 PolarHBondContact NH2-OD1 3.43Å; R156-D236 IonicContact NH2-OD2 2.71Å
157	T	96.5	Very high	96.4	Very high	14 Å²	14	64.7 Å²	64.7	9%	0.086	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157.9	-178.9	75	0	0	0	0	111.6	R155 C159 F186 G187 K188 T189 T190 F192	R155-T157 HydrophobicContact CG-CG2 4.37Å; T157-C159 PolarHBondContact OG1-O 3.26Å; T157-F186 CarbonylContact C-O 3.4Å; T157-F186 VanDerWaalsContact CA-O 3.28Å; T157-F186 WeakPolarHBondContact CA-O 3.44Å; T157-G187 CarbonylContact O-C 3.49Å; T157-K188 PolarHBondContact O-N 3.17Å; T157-T189 PolarHBondContact O-N 3.39Å; T157-T190 PolarHBondContact N-O 2.86Å; T157-T190 PolarHBondContact O-N 3.13Å; T157-T190 PolarHBondContact OG1-O 3.39Å; T157-F192 HydrophobicContact CG2-CE2 4.4Å
158	T	96.3	Very high	96.9	Very high	102 Å²	102	65.1 Å²	65.1	63%	0.626	34%	0.344	S	S	*	.	S	Bend	trans	-88.4	-9.1	167.6	54.4	0	0	0	0	112.8	F186 T189	T158-F186 PolarHBondContact N-O 3.18Å; T158-T189 WeakPolarHBondContact O-CB 3.34Å; T158-T189 PolarHBondContact O-OG1 3.21Å
159	C	94.6	Very high	97.4	Very high	63 Å²	63	57.5 Å²	57.5	43%	0.426	30%	0.304	S	S	.	.	S	Bend	trans	-76.6	143.9	-177.6	-59.2	0	0	0	0	111.4	T157 L161 T189 T190	T157-C159 PolarHBondContact OG1-O 3.26Å; C159-L161 HydrophobicContact CB-CD2 4.07Å; C159-L161 HydrophobicContact CB-CG 4.12Å; C159-T189 WeakPolarHBondContact O-CB 3.1Å; C159-T189 VanDerWaalsContact O-CG2 3.25Å; C159-T189 WeakPolarHBondContact O-CG2 3.29Å; C159-T190 WeakPolarHBondContact O-CB 3.45Å; C159-T190 PolarHBondContact O-N 3.33Å; C159-T190 PolarHBondContact O-OG1 3.32Å
160	T	97.4	Very high	97.7	Very high	70 Å²	70	51.8 Å²	51.8	43%	0.429	28%	0.279	S	S	.	.			trans	-89.2	108.6	169.7	-54.8	0	0	0	0	107.6	G27 D28	G27-T160 CarbonylContact C-O 3.45Å; G27-T160 WeakPolarHBondContact CA-O 3.3Å; D28-T160 PolarHBondContact N-O 3.31Å
161	L	97.2	Very high	97.7	Very high	30 Å²	30	49.7 Å²	49.7	16%	0.157	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138	-178.5	-52.9	170.1	0	0	0	110.3	D28 L30 C159 T190 F192 Y241	D28-L161 HydrophobicContact CB-CD2 3.96Å; D28-L161 CarbonylContact O-C 3.44Å; D28-L161 VanDerWaalsContact O-CA 3.24Å; D28-L161 WeakPolarHBondContact O-CA 3.44Å; L30-L161 HydrophobicContact CD2-CB 4.22Å; L30-L161 HydrophobicContact CD2-CD1 4.1Å; L30-L161 HydrophobicContact CG-CB 4.26Å; C159-L161 HydrophobicContact CB-CD2 4.07Å; C159-L161 HydrophobicContact CB-CG 4.12Å; L161-T190 HydrophobicContact CB-CG2 4.05Å; L161-T190 HydrophobicContact CD1-CG2 4.26Å; L161-T190 HydrophobicContact CG-CG2 4.44Å; L161-T190 PolarHBondContact N-OG1 2.82Å; L161-F192 HydrophobicContact CD1-CE2 3.9Å; L161-F192 HydrophobicContact CD1-CZ 3.66Å; L161-Y241 WeakPolarHBondContact O-CE2 3.48Å; L161-Y241 PolarHBondContact O-OH 3.49Å
162	T	97.8	Very high	97.6	Very high	56 Å²	56	47.9 Å²	47.9	34%	0.344	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	143.2	-178.4	57.5	0	0	0	0	110.7	G27 D28 P29 L30 Y241	G27-T162 PolarHBondContact O-OG1 2.77Å; D28-T162 PolarHBondContact O-N 3.29Å; P29-T162 VanDerWaalsContact CA-OG1 3.3Å; P29-T162 WeakPolarHBondContact CA-OG1 3.4Å; L30-T162 WeakPolarHBondContact CB-O 3.21Å; L30-T162 WeakPolarHBondContact CG-O 3.34Å; L30-T162 PolarHBondContact N-O 2.81Å; T162-Y241 WeakPolarHBondContact CA-OH 3.36Å
163	G	97.1	Very high	97.5	Very high	4 Å²	4	44.9 Å²	44.9	4%	0.041	24%	0.237	C	C	.	.			trans	-174.7	156.4	179.7	0	0	0	0	0	111.6	K228 Y241	G163-K228 WeakPolarHBondContact O-CE 3.23Å; G163-K228 PolarHBondContact O-NZ 2.79Å; G163-Y241 PolarHBondContact N-OH 3.49Å; G163-Y241 WeakPolarHBondContact O-CE1 3.4Å
164	E	98.1	Very high	97.5	Very high	116 Å²	116	44.9 Å²	44.9	54%	0.542	24%	0.237	S	C	.	.			trans	-114.5	152.1	-172.9	-65.4	-49.6	134.1	0	0	113.5	N166 Q167 I225 K228	E164-N166 PolarHBondContact O-N 3.27Å; E164-Q167 WeakPolarHBondContact O-CB 3.41Å; E164-Q167 PolarHBondContact O-N 2.95Å; E164-I225 WeakPolarHBondContact O-CB 3.35Å; E164-K228 IonicContact OE1-NZ 3.31Å; E164-K228 PolarHBondContact OE1-NZ 3.28Å; E164-K228 IonicContact OE2-NZ 3.01Å; E164-K228 PolarHBondContact OE2-NZ 3.29Å
165	I	98.5	Very high	97.4	Very high	86 Å²	86	44 Å²	44	44%	0.441	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	139.3	173.5	-61.9	175.7	0	0	0	108.3	Q167 K228	I165-Q167 PolarHBondContact O-N 3.37Å; I165-K228 HydrophobicContact CG1-CD 3.98Å; I165-K228 HydrophobicContact CG1-CG 4.1Å
166	N	98.3	Very high	97.4	Very high	104 Å²	104	42.6 Å²	42.6	56%	0.556	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	-4.2	-171.8	-58.1	-60.4	0	0	0	116.8	E164 E168 K224 I225	E164-N166 PolarHBondContact O-N 3.27Å; N166-E168 PolarHBondContact O-N 2.92Å; N166-K224 WeakPolarHBondContact O-CE 3.25Å; N166-K224 WeakPolarHBondContact OD1-CE 3.45Å; N166-K224 PolarHBondContact OD1-NZ 3.41Å; N166-I225 PolarHBondContact N-O 3.49Å
167	Q	98.5	Very high	97.4	Very high	56 Å²	56	41.8 Å²	41.8	26%	0.262	23%	0.23	S	C	.	.			trans	-65.7	134.9	173.5	-171.4	-178.3	-8.1	0	0	110.8	L30 E164 I165 I169 K224 I225	L30-Q167 PolarHBondContact O-NE2 2.85Å; E164-Q167 WeakPolarHBondContact O-CB 3.41Å; E164-Q167 PolarHBondContact O-N 2.95Å; I165-Q167 PolarHBondContact O-N 3.37Å; Q167-I169 HydrophobicContact CG-CG2 3.93Å; Q167-K224 WeakPolarHBondContact O-CA 3.26Å; Q167-I225 HydrophobicContact CB-CD1 4.23Å; Q167-I225 PolarHBondContact O-N 3.33Å
168	E	98.5	Very high	97.5	Very high	91 Å²	91	41.4 Å²	41.4	43%	0.425	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135.6	166.1	-69.3	-156.7	124.6	0	0	110.7	M32 N166 F223 T246	M32-E168 VanDerWaalsContact SD-C 3.57Å; M32-E168 HydrophobicContact SD-CB 3.75Å; N166-E168 PolarHBondContact O-N 2.92Å; E168-F223 CarbonylContact C-O 3.59Å; E168-F223 WeakPolarHBondContact CA-O 3.23Å; E168-T246 WeakPolarHBondContact OE1-CB 3.22Å; E168-T246 PolarHBondContact OE1-OG1 3.28Å
169	I	98.6	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159.2	-177.3	70	104.4	0	0	0	110.6	L30 D31 Q167 F223 I225 L243	L30-I169 HydrophobicContact CB-CB 4.3Å; L30-I169 HydrophobicContact CB-CG2 3.67Å; D31-I169 CarbonylContact O-C 3.37Å; D31-I169 VanDerWaalsContact O-CA 3.28Å; D31-I169 WeakPolarHBondContact O-CA 3.35Å; Q167-I169 HydrophobicContact CG-CG2 3.93Å; I169-F223 HydrophobicContact CD1-CB 4.37Å; I169-F223 HydrophobicContact CG1-CB 4.24Å; I169-F223 PolarHBondContact N-O 2.74Å; I169-F223 PolarHBondContact O-N 2.71Å; I169-I225 HydrophobicContact CG2-CD1 4.14Å; I169-I225 HydrophobicContact CG2-CG1 4.4Å; I169-L243 HydrophobicContact CD1-CD1 3.91Å; I169-L243 HydrophobicContact CD1-CD2 4.48Å; I169-L243 HydrophobicContact CG1-CD2 4.37Å
170	R	97.7	Very high	97.7	Very high	6 Å²	6	39.2 Å²	39.2	2%	0.023	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.6	170.6	-173.4	166.6	72.6	149.9	9.8	108.6	D31 M32 A33 D38 G172 P219 E221 Q249 N251	D31-R170 PolarHBondContact O-N 3.49Å; M32-R170 PolarHBondContact O-NE 3.16Å; M32-R170 PolarHBondContact O-NH2 3.19Å; A33-R170 PolarHBondContact O-NH2 2.82Å; D38-R170 VanDerWaalsContact CG-NH1 3.35Å; D38-R170 IonicContact OD2-CZ 2.72Å; D38-R170 IonicContact OD2-NH1 3.73Å; D38-R170 PolarHBondContact OD2-NH1 3.03Å; D38-R170 IonicContact OD2-NH2 3.03Å; D38-R170 PolarHBondContact OD2-NH2 2.88Å; R170-G172 PolarHBondContact O-N 3.48Å; R170-P219 WeakPolarHBondContact CD-O 3.33Å; R170-P219 WeakPolarHBondContact CG-O 3.34Å; R170-P219 PolarHBondContact NE-O 3.45Å; R170-E221 WeakPolarHBondContact CG-O 3.3Å; R170-Q249 PolarHBondContact NH1-O 2.96Å; R170-N251 PolarHBondContact NH2-ND2 3.5Å
171	F	97.7	Very high	97.8	Very high	29 Å²	29	37 Å²	37	13%	0.127	19%	0.192	C	C	.	.			trans	-66.7	-25.2	-179.4	-71.2	-66.2	0	0	0	113.2	S173 A175 F192 I194 I217 F223 L243	F171-S173 PolarHBondContact O-N 3.49Å; F171-A175 HydrophobicContact CB-CB 3.74Å; F171-A175 HydrophobicContact CD1-CB 4.23Å; F171-A175 HydrophobicContact CD2-CB 3.64Å; F171-A175 HydrophobicContact CE2-CB 4.32Å; F171-A175 HydrophobicContact CG-CB 3.6Å; F171-F192 HydrophobicContact CE1-CD1 4.48Å; F171-F192 HydrophobicContact CE1-CE1 4.39Å; F171-F192 HydrophobicContact CE1-CZ 4.43Å; F171-F192 HydrophobicContact CZ-CD1 4.48Å; F171-I194 HydrophobicContact CE2-CD1 3.9Å; F171-I194 HydrophobicContact CZ-CD1 3.61Å; F171-I194 HydrophobicContact CZ-CG1 4.49Å; F171-I217 HydrophobicContact CD2-CG2 4.28Å; F171-I217 HydrophobicContact CE2-CD1 4.19Å; F171-F223 HydrophobicContact CD2-CD2 4.37Å; F171-F223 AromaticContact CD2-CE2 3.87Å; F171-F223 HydrophobicContact CD2-CE2 3.87Å; F171-F223 HydrophobicContact CE2-CD2 4.15Å; F171-F223 AromaticContact CE2-CE2 3.76Å; F171-F223 HydrophobicContact CE2-CE2 3.76Å; F171-F223 HydrophobicContact CE2-CZ 4.31Å; F171-L243 HydrophobicContact CE2-CD1 4.26Å; F171-L243 HydrophobicContact CZ-CD1 3.73Å
172	G	94.1	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	72.4	-6.4	175.8	0	0	0	0	0	115.3	S36 R119 R170	S36-G172 VanDerWaalsContact CB-O 3.24Å; S36-G172 WeakPolarHBondContact CB-O 3.05Å; S36-G172 VanDerWaalsContact OG-C 3.28Å; S36-G172 PolarHBondContact OG-O 3.48Å; R119-G172 VanDerWaalsContact CA-O 3.31Å; R119-G172 WeakPolarHBondContact CA-O 3.31Å; R170-G172 PolarHBondContact O-N 3.48Å
173	S	96.9	Very high	97.7	Very high	10 Å²	10	38.9 Å²	38.9	7%	0.07	20%	0.204	C	C	.	.	S	Bend	trans	-134.8	176.7	168.6	72.3	0	0	0	0	109.1	F171 A175 P219	F171-S173 PolarHBondContact O-N 3.49Å; S173-A175 PolarHBondContact O-N 3.41Å; S173-P219 WeakPolarHBondContact O-CA 3.2Å
174	F	98.3	Very high	97.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.			trans	-61.4	129.5	161.6	-66.6	-95.7	0	0	0	108	Y102 F114 N115 V118 H135 L138 T139 I142 L216 I217 P219	Y102-F174 HydrophobicContact CE2-CB 3.75Å; Y102-F174 PolarHBondContact OH-O 3.05Å; F114-F174 AromaticContact CE1-CD2 3.41Å; F114-F174 HydrophobicContact CE1-CD2 3.41Å; F114-F174 VanDerWaalsContact CE1-CD2 3.41Å; F114-F174 AromaticContact CE1-CE2 3.79Å; F114-F174 HydrophobicContact CE1-CE2 3.79Å; F114-F174 HydrophobicContact CE1-CG 4.18Å; F114-F174 AromaticContact CZ-CD2 3.67Å; F114-F174 HydrophobicContact CZ-CD2 3.67Å; F114-F174 AromaticContact CZ-CE2 3.53Å; F114-F174 HydrophobicContact CZ-CE2 3.53Å; F114-F174 HydrophobicContact CZ-CZ 4.46Å; N115-F174 PolarHBondContact ND2-O 2.59Å; N115-F174 PolarHBondContact OD1-O 3.27Å; V118-F174 HydrophobicContact CG1-CD2 4.4Å; V118-F174 HydrophobicContact CG2-CD2 4.45Å; V118-F174 HydrophobicContact CG2-CE2 4.44Å; H135-F174 AromaticContact CD2-CE2 3.6Å; H135-F174 AromaticContact NE2-CE2 3.99Å; L138-F174 HydrophobicContact CB-CE1 4.02Å; L138-F174 HydrophobicContact CB-CZ 4.15Å; L138-F174 HydrophobicContact CD2-CB 4.45Å; L138-F174 HydrophobicContact CD2-CD1 3.66Å; L138-F174 HydrophobicContact CD2-CD2 4.15Å; L138-F174 HydrophobicContact CD2-CE1 3.82Å; L138-F174 HydrophobicContact CD2-CE2 4.31Å; L138-F174 HydrophobicContact CD2-CG 3.82Å; L138-F174 HydrophobicContact CD2-CZ 4.15Å; L138-F174 HydrophobicContact CG-CD1 3.94Å; L138-F174 HydrophobicContact CG-CE1 3.76Å; L138-F174 HydrophobicContact CG-CZ 4.29Å; T139-F174 WeakPolarHBondContact OG1-CZ 3.22Å; I142-F174 HydrophobicContact CD1-CD1 3.57Å; I142-F174 HydrophobicContact CD1-CE1 3.63Å; F174-L216 HydrophobicContact CB-CD1 4.05Å; F174-L216 HydrophobicContact CD1-CD2 4.25Å; F174-L216 HydrophobicContact CD1-CG 4.38Å; F174-I217 WeakPolarHBondContact CA-O 3.38Å; F174-P219 HydrophobicContact CE2-CG 4.24Å; F174-P219 HydrophobicContact CZ-CG 4.39Å
175	A	97.4	Very high	97.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	107	-175.4	0	0	0	0	0	110.2	F171 S173 S177 I217	F171-A175 HydrophobicContact CB-CB 3.74Å; F171-A175 HydrophobicContact CD1-CB 4.23Å; F171-A175 HydrophobicContact CD2-CB 3.64Å; F171-A175 HydrophobicContact CE2-CB 4.32Å; F171-A175 HydrophobicContact CG-CB 3.6Å; S173-A175 PolarHBondContact O-N 3.41Å; A175-S177 PolarHBondContact O-N 3.36Å; A175-I217 HydrophobicContact CB-CB 4.15Å; A175-I217 PolarHBondContact N-O 2.98Å; A175-I217 WeakPolarHBondContact O-CB 3.35Å; A175-I217 PolarHBondContact O-N 3.31Å
176	S	97.3	Very high	97.3	Very high	34 Å²	34	43 Å²	43	24%	0.238	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	129.8	170.1	-59.7	0	0	0	0	110.3	Y102 R155 E214	Y102-S176 VanDerWaalsContact CE1-OG 3.24Å; Y102-S176 WeakPolarHBondContact CE1-OG 3.5Å; Y102-S176 PolarHBondContact OH-OG 2.82Å; R155-S176 WeakPolarHBondContact CD-O 3.35Å; R155-S176 WeakPolarHBondContact CG-O 3.37Å; R155-S176 PolarHBondContact NH1-O 3.2Å; S176-E214 WeakPolarHBondContact CB-OE1 3.45Å; S176-E214 PolarHBondContact OG-OE1 3.01Å
177	S	98.3	Very high	97.2	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	168.3	170	68	0	0	0	0	108.6	T153 F154 A175 E214 V215	T153-S177 VanDerWaalsContact CB-OG 3.29Å; T153-S177 WeakPolarHBondContact CB-OG 3.34Å; T153-S177 VanDerWaalsContact OG1-CB 3.32Å; T153-S177 WeakPolarHBondContact OG1-CB 3.12Å; T153-S177 PolarHBondContact OG1-OG 2.95Å; F154-S177 CarbonylContact O-C 3.57Å; F154-S177 WeakPolarHBondContact O-CA 3.22Å; A175-S177 PolarHBondContact O-N 3.36Å; S177-E214 CarbonylContact O-C 3.39Å; S177-E214 WeakPolarHBondContact O-CA 3.21Å; S177-V215 PolarHBondContact N-O 3.39Å; S177-V215 PolarHBondContact O-N 3.47Å; S177-V215 PolarHBondContact OG-O 3.34Å
178	S	98.4	Very high	97.2	Very high	7 Å²	7	40.3 Å²	40.3	5%	0.049	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.1	-177.8	178.1	0	0	0	0	110.9	T153 F154 L180 L183 E212	T153-S178 CarbonylContact C-O 3.41Å; T153-S178 WeakPolarHBondContact CA-O 3.46Å; T153-S178 WeakPolarHBondContact CB-O 2.88Å; F154-S178 PolarHBondContact N-O 2.81Å; F154-S178 PolarHBondContact O-N 2.83Å; S178-L180 PolarHBondContact O-N 3.13Å; S178-L180 WeakPolarHBondContact OG-CB 3.45Å; S178-L180 PolarHBondContact OG-N 3.33Å; S178-L180 PolarHBondContact OG-O 3.26Å; S178-L183 WeakPolarHBondContact OG-CD1 3.25Å; S178-E212 VanDerWaalsContact CB-O 3.24Å; S178-E212 WeakPolarHBondContact CB-O 3.39Å; S178-E212 PolarHBondContact OG-O 3.11Å
179	K	98.1	Very high	97.2	Very high	68 Å²	68	37.2 Å²	37.2	30%	0.296	19%	0.194	S	C	.	.	S	Bend	trans	-66.8	-18.7	164.3	-65.2	178.9	-179.8	173.4	0	112.6	Y201 Q213 V215	K179-Y201 HydrophobicContact CD-CD2 4.35Å; K179-Y201 HydrophobicContact CD-CE2 4.15Å; K179-Q213 HydrophobicContact CB-CB 3.98Å; K179-Q213 HydrophobicContact CD-CB 4.41Å; K179-Q213 HydrophobicContact CG-CB 4.41Å; K179-Q213 PolarHBondContact N-O 2.99Å; K179-V215 HydrophobicContact CG-CG2 4.05Å
180	L	98.3	Very high	97.2	Very high	51 Å²	51	37.2 Å²	37.2	27%	0.267	19%	0.194	S	C	.	.			trans	-90.9	122.2	178.5	-55.9	176.6	0	0	0	110.4	S178 T182 L183 H211 Q213	S178-L180 PolarHBondContact O-N 3.13Å; S178-L180 WeakPolarHBondContact OG-CB 3.45Å; S178-L180 PolarHBondContact OG-N 3.33Å; S178-L180 PolarHBondContact OG-O 3.26Å; L180-T182 PolarHBondContact O-N 3.34Å; L180-L183 HydrophobicContact CB-CD1 4.48Å; L180-L183 HydrophobicContact CB-CG 4.11Å; L180-L183 HydrophobicContact CD1-CD2 4.22Å; L180-H211 WeakPolarHBondContact CD1-O 3.43Å; L180-Q213 HydrophobicContact CD1-CG 4.14Å; L180-Q213 HydrophobicContact CG-CB 4.3Å; L180-Q213 HydrophobicContact CG-CG 4.11Å
181	S	97.9	Very high	97.2	Very high	23 Å²	23	37 Å²	37	16%	0.161	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.2	172.1	59.4	0	0	0	0	113.3	R156	R156-S181 PolarHBondContact NE-O 2.9Å; R156-S181 PolarHBondContact NH2-O 3.07Å
182	T	97.4	Very high	97.3	Very high	97 Å²	97	35.6 Å²	35.6	60%	0.595	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	1.5	-166.7	54.4	0	0	0	0	114.9	L180 T184	L180-T182 PolarHBondContact O-N 3.34Å; T182-T184 PolarHBondContact O-N 2.91Å
183	L	96.4	Very high	97.5	Very high	28 Å²	28	38.1 Å²	38.1	15%	0.147	20%	0.198	C	C	.	.			trans	-75.4	59.8	-178.5	-56.8	-177.7	0	0	0	112.8	R156 S178 L180 K185 F186 E212	R156-L183 VanDerWaalsContact CD-O 3.32Å; R156-L183 WeakPolarHBondContact CD-O 3.44Å; S178-L183 WeakPolarHBondContact OG-CD1 3.25Å; L180-L183 HydrophobicContact CB-CD1 4.48Å; L180-L183 HydrophobicContact CB-CG 4.11Å; L180-L183 HydrophobicContact CD1-CD2 4.22Å; L183-K185 PolarHBondContact O-N 3.43Å; L183-K185 VanDerWaalsContact O-N 3.14Å; L183-F186 HydrophobicContact CB-CD2 3.75Å; L183-F186 HydrophobicContact CB-CE2 3.99Å; L183-F186 HydrophobicContact CD1-CD2 4.47Å; L183-F186 HydrophobicContact CD1-CE2 3.99Å; L183-F186 WeakPolarHBondContact O-CD2 3.19Å; L183-F186 PolarHBondContact O-N 2.57Å; L183-E212 HydrophobicContact CD1-CB 3.98Å; L183-E212 HydrophobicContact CD1-CG 4.22Å
184	T	96.7	Very high	97.6	Very high	60 Å²	60	37.6 Å²	37.6	37%	0.368	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-61.8	-20.6	-175	56.8	0	0	0	0	114.1	T182 F186 G187 D236	T182-T184 PolarHBondContact O-N 2.91Å; T184-F186 PolarHBondContact O-N 3Å; T184-F186 VanDerWaalsContact O-N 3.1Å; T184-G187 PolarHBondContact O-N 3.45Å; T184-D236 WeakPolarHBondContact CG2-OD2 3.46Å
185	K	94.8	Very high	97.6	Very high	140 Å²	140	38.6 Å²	38.6	61%	0.609	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-56.1	-23.8	175.2	67.7	178.7	-176.3	175.7	0	113.9	L183 G187 E212	L183-K185 PolarHBondContact O-N 3.43Å; L183-K185 VanDerWaalsContact O-N 3.14Å; K185-G187 VanDerWaalsContact C-N 3.3Å; K185-E212 WeakPolarHBondContact CE-OE1 3.49Å; K185-E212 IonicContact NZ-OE1 3.77Å; K185-E212 PolarHBondContact NZ-OE1 3.28Å
186	F	93.8	Very high	97.7	Very high	92 Å²	92	38.6 Å²	38.6	40%	0.404	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-83.5	-4.2	177	-64.7	-65.6	0	0	0	113.9	R156 T157 T158 L183 T184 E212	R156-F186 CarbonylContact C-O 3.59Å; R156-F186 HydrophobicContact CB-CB 4Å; T157-F186 CarbonylContact C-O 3.4Å; T157-F186 VanDerWaalsContact CA-O 3.28Å; T157-F186 WeakPolarHBondContact CA-O 3.44Å; T158-F186 PolarHBondContact N-O 3.18Å; L183-F186 HydrophobicContact CB-CD2 3.75Å; L183-F186 HydrophobicContact CB-CE2 3.99Å; L183-F186 HydrophobicContact CD1-CD2 4.47Å; L183-F186 HydrophobicContact CD1-CE2 3.99Å; L183-F186 WeakPolarHBondContact O-CD2 3.19Å; L183-F186 PolarHBondContact O-N 2.57Å; T184-F186 PolarHBondContact O-N 3Å; T184-F186 VanDerWaalsContact O-N 3.1Å; F186-E212 VanDerWaalsContact CZ-OE1 3.24Å; F186-E212 WeakPolarHBondContact CZ-OE1 3.38Å
187	G	97	Very high	97.7	Very high	10 Å²	10	38.5 Å²	38.5	10%	0.103	20%	0.199	C	C	.	.			trans	119.3	173.7	174.9	0	0	0	0	0	114.1	R156 T157 T184 K185	R156-G187 WeakPolarHBondContact CB-O 3.24Å; T157-G187 CarbonylContact O-C 3.49Å; T184-G187 PolarHBondContact O-N 3.45Å; K185-G187 VanDerWaalsContact C-N 3.3Å
188	K	98	Very high	97.7	Very high	94 Å²	94	42 Å²	42	41%	0.409	21%	0.212	S	C	.	.	S	Bend	trans	-138.3	12.4	-178.6	-57.7	-173.4	-177.9	-150.3	0	112.1	T157 D236 C237 K238	T157-K188 PolarHBondContact O-N 3.17Å; K188-D236 HydrophobicContact CD-CB 4.38Å; K188-D236 WeakPolarHBondContact CD-OD2 3.27Å; K188-D236 WeakPolarHBondContact CE-OD2 3.16Å; K188-D236 IonicContact NZ-OD2 3.75Å; K188-D236 PolarHBondContact NZ-OD2 3.29Å; K188-C237 CarbonylContact O-C 3.55Å; K188-C237 WeakPolarHBondContact O-CA 3.36Å; K188-K238 PolarHBondContact O-N 3.28Å
189	T	97.8	Very high	97.7	Very high	27 Å²	27	41.7 Å²	41.7	17%	0.166	21%	0.21	C	C	.	.	S	Bend	trans	-78.5	-70.4	-176.5	-53.7	0	0	0	0	109.6	T157 T158 C159 K238 T239	T157-T189 PolarHBondContact O-N 3.39Å; T158-T189 WeakPolarHBondContact O-CB 3.34Å; T158-T189 PolarHBondContact O-OG1 3.21Å; C159-T189 WeakPolarHBondContact O-CB 3.1Å; C159-T189 VanDerWaalsContact O-CG2 3.25Å; C159-T189 WeakPolarHBondContact O-CG2 3.29Å; T189-K238 WeakPolarHBondContact O-CB 3.25Å; T189-K238 PolarHBondContact O-N 3.34Å; T189-T239 PolarHBondContact O-N 2.9Å
190	T	98.4	Very high	97.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.9	171.5	-49.5	0	0	0	0	109.3	T157 C159 L161 F192 Y241	T157-T190 PolarHBondContact N-O 2.86Å; T157-T190 PolarHBondContact O-N 3.13Å; T157-T190 PolarHBondContact OG1-O 3.39Å; C159-T190 WeakPolarHBondContact O-CB 3.45Å; C159-T190 PolarHBondContact O-N 3.33Å; C159-T190 PolarHBondContact O-OG1 3.32Å; L161-T190 HydrophobicContact CB-CG2 4.05Å; L161-T190 HydrophobicContact CD1-CG2 4.26Å; L161-T190 HydrophobicContact CG-CG2 4.44Å; L161-T190 PolarHBondContact N-OG1 2.82Å; T190-F192 HydrophobicContact CG2-CE2 3.85Å; T190-F192 HydrophobicContact CG2-CZ 3.81Å; T190-Y241 HydrophobicContact CG2-CD2 3.65Å; T190-Y241 HydrophobicContact CG2-CE2 3.58Å
191	C	98.7	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.3	176.7	-57.2	0	0	0	0	110.9	R155 R156 L234 C237 T239 V240 Y241	R155-C191 CarbonylContact O-C 3.59Å; R155-C191 VanDerWaalsContact O-CA 3.29Å; R155-C191 WeakPolarHBondContact O-CA 3.26Å; R156-C191 HydrophobicContact CG-CB 4.49Å; C191-L234 HydrophobicContact CB-CD1 3.97Å; C191-L234 HydrophobicContact CB-CD2 4.14Å; C191-L234 HydrophobicContact CB-CG 4.49Å; C191-C237 HydrophobicContact CB-CB 3.61Å; C191-C237 WeakPolarHBondContact CB-SG 3.45Å; C191-C237 WeakPolarHBondContact SG-CB 3.36Å; C191-C237 CovalentContact SG-SG 2.02Å; C191-C237 PolarHBondContact SG-SG 3.32Å; C191-T239 PolarHBondContact N-O 3.31Å; C191-V240 HydrophobicContact CB-CG2 4.42Å; C191-V240 CarbonylContact O-C 3.59Å; C191-V240 VanDerWaalsContact O-CA 3.3Å; C191-V240 WeakPolarHBondContact O-CA 3.23Å; C191-Y241 PolarHBondContact O-N 3.03Å
192	F	98.8	Very high	97.6	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.8	-180	-58.1	-94.7	0	0	0	109.6	L30 F154 R155 T157 L161 F171 T190 I194 Y241 L243	L30-F192 HydrophobicContact CD1-CE1 3.99Å; L30-F192 HydrophobicContact CD1-CZ 4.34Å; L30-F192 HydrophobicContact CD2-CE1 4.42Å; L30-F192 HydrophobicContact CD2-CZ 4.18Å; F154-F192 VanDerWaalsContact CA-O 3.28Å; F154-F192 WeakPolarHBondContact CA-O 3.15Å; R155-F192 HydrophobicContact CB-CB 4.24Å; R155-F192 HydrophobicContact CB-CD2 4.23Å; R155-F192 HydrophobicContact CG-CD2 4.3Å; R155-F192 PolarHBondContact N-O 3.45Å; R155-F192 PolarHBondContact O-N 3.19Å; T157-F192 HydrophobicContact CG2-CE2 4.4Å; L161-F192 HydrophobicContact CD1-CE2 3.9Å; L161-F192 HydrophobicContact CD1-CZ 3.66Å; F171-F192 HydrophobicContact CE1-CD1 4.48Å; F171-F192 HydrophobicContact CE1-CE1 4.39Å; F171-F192 HydrophobicContact CE1-CZ 4.43Å; F171-F192 HydrophobicContact CZ-CD1 4.48Å; T190-F192 HydrophobicContact CG2-CE2 3.85Å; T190-F192 HydrophobicContact CG2-CZ 3.81Å; F192-I194 HydrophobicContact CB-CD1 3.81Å; F192-I194 HydrophobicContact CB-CG1 3.57Å; F192-Y241 VanDerWaalsContact CA-O 3.27Å; F192-Y241 WeakPolarHBondContact CA-O 3.22Å; F192-Y241 HydrophobicContact CD1-CD2 4.2Å; F192-Y241 HydrophobicContact CD1-CG 4.44Å; F192-Y241 AromaticContact CE1-CD2 3.62Å; F192-Y241 HydrophobicContact CE1-CD2 3.62Å; F192-Y241 HydrophobicContact CE1-CG 4.17Å; F192-Y241 HydrophobicContact CZ-CD2 4.08Å; F192-L243 HydrophobicContact CD1-CD1 3.71Å; F192-L243 HydrophobicContact CD1-CG 4.09Å; F192-L243 HydrophobicContact CE1-CD1 4.36Å
193	K	98.8	Very high	97.5	Very high	52 Å²	52	33.3 Å²	33.3	23%	0.226	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	113	159.7	-179.8	171.2	-178.1	166.2	0	106.9	T152 F154 P231 E233 L234 Y241 V242 L243	T152-K193 HydrophobicContact CG2-CG 4.28Å; F154-K193 HydrophobicContact CD1-CB 4.37Å; F154-K193 HydrophobicContact CD1-CG 4.4Å; F154-K193 HydrophobicContact CE1-CB 4.29Å; F154-K193 HydrophobicContact CE1-CD 4.07Å; F154-K193 HydrophobicContact CE1-CG 3.94Å; K193-P231 HydrophobicContact CD-CG 4.19Å; K193-E233 IonicContact NZ-OE1 3.87Å; K193-E233 PolarHBondContact NZ-OE1 2.87Å; K193-L234 HydrophobicContact CB-CD1 4.11Å; K193-Y241 PolarHBondContact N-O 2.89Å; K193-V242 HydrophobicContact CB-CG2 4.46Å; K193-V242 CarbonylContact O-C 3.54Å; K193-V242 WeakPolarHBondContact O-CA 3.05Å; K193-L243 PolarHBondContact O-N 3.14Å
194	I	98.9	Very high	97.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.7	-166.6	-48.5	173.5	0	0	0	108.3	T152 T153 R155 F171 F192 I217 F223 L243	T152-I194 CarbonylContact C-O 3.27Å; T152-I194 VanDerWaalsContact CA-O 3.3Å; T152-I194 WeakPolarHBondContact CA-O 3.23Å; T153-I194 PolarHBondContact N-O 3Å; T153-I194 PolarHBondContact O-N 3.18Å; R155-I194 HydrophobicContact CB-CD1 3.88Å; F171-I194 HydrophobicContact CE2-CD1 3.9Å; F171-I194 HydrophobicContact CZ-CD1 3.61Å; F171-I194 HydrophobicContact CZ-CG1 4.49Å; F192-I194 HydrophobicContact CB-CD1 3.81Å; F192-I194 HydrophobicContact CB-CG1 3.57Å; I194-I217 HydrophobicContact CD1-CD1 3.9Å; I194-I217 HydrophobicContact CG2-CD1 3.98Å; I194-F223 HydrophobicContact CG2-CD1 4.05Å; I194-F223 HydrophobicContact CG2-CE1 3.52Å; I194-F223 HydrophobicContact CG2-CZ 3.99Å; I194-L243 HydrophobicContact CG1-CD1 4.18Å; I194-L243 HydrophobicContact CG2-CB 4.28Å
195	T	98.8	Very high	97.4	Very high	21 Å²	21	32.9 Å²	32.9	13%	0.129	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	111.1	156	-57.2	0	0	0	0	107.5	C150 Y151 F223 L243 K244 P245	C150-T195 HydrophobicContact CB-CG2 4.32Å; Y151-T195 CarbonylContact O-C 3.57Å; Y151-T195 WeakPolarHBondContact O-CA 3.2Å; T195-F223 WeakPolarHBondContact O-CE1 3.36Å; T195-L243 PolarHBondContact N-O 3.42Å; T195-K244 HydrophobicContact CG2-CD 4.47Å; T195-K244 PolarHBondContact OG1-NZ 3.4Å; T195-P245 HydrophobicContact CG2-CG 4.33Å; T195-P245 WeakPolarHBondContact O-CD 3.4Å
196	T	98.8	Very high	97.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.2	176.2	168.1	0	0	0	0	109.5	C150 Y151 T153 G199 V215 I217 E221	C150-T196 CarbonylContact C-O 3.32Å; C150-T196 WeakPolarHBondContact CA-O 3.49Å; C150-T196 WeakPolarHBondContact CB-O 3.28Å; Y151-T196 PolarHBondContact N-O 3.38Å; Y151-T196 PolarHBondContact O-N 3.46Å; T153-T196 HydrophobicContact CG2-CG2 4.08Å; T196-G199 WeakPolarHBondContact OG1-CA 3.47Å; T196-G199 PolarHBondContact OG1-N 3.08Å; T196-V215 HydrophobicContact CG2-CG1 4.03Å; T196-I217 HydrophobicContact CG2-CD1 4.14Å; T196-I217 HydrophobicContact CG2-CG1 4.03Å; T196-E221 WeakPolarHBondContact CA-OE1 3.42Å; T196-E221 WeakPolarHBondContact CB-OE2 3.43Å; T196-E221 PolarHBondContact OG1-OE1 3.24Å; T196-E221 PolarHBondContact OG1-OE2 2.76Å
197	C	98.4	Very high	97.4	Very high	32 Å²	32	24.4 Å²	24.4	22%	0.216	12%	0.119	C	C	.	.	S	Bend	trans	-110.5	-11.4	175.8	-64.8	0	0	0	0	112.8	N146 C150 E221 P245	N146-C197 PolarHBondContact ND2-O 3.01Å; C150-C197 HydrophobicContact CB-CB 4.08Å; C150-C197 WeakPolarHBondContact CB-SG 3.32Å; C150-C197 WeakPolarHBondContact SG-CB 3.38Å; C150-C197 CovalentContact SG-SG 2.04Å; C150-C197 PolarHBondContact SG-SG 3.38Å; C197-E221 PolarHBondContact N-OE1 3.42Å; C197-P245 HydrophobicContact CB-CG 4.45Å
198	Y	98.1	Very high	97.1	Very high	80 Å²	80	27.6 Å²	27.6	31%	0.314	13%	0.133	S	C	.	.	S	Bend	trans	-109.3	-4.7	175.6	-65.9	-87.9	0	0	0	113.6	I142 N146 P218 Y220 E221 V248	I142-Y198 VanDerWaalsContact CG2-O 3.26Å; I142-Y198 WeakPolarHBondContact CG2-O 3.31Å; N146-Y198 VanDerWaalsContact ND2-C 3.26Å; N146-Y198 WeakPolarHBondContact ND2-CA 3.43Å; Y198-P218 WeakPolarHBondContact O-CD 3.36Å; Y198-Y220 HydrophobicContact CD1-CE2 4.27Å; Y198-Y220 HydrophobicContact CG-CE2 4.41Å; Y198-E221 HydrophobicContact CD2-CB 4.5Å; Y198-E221 HydrophobicContact CD2-CG 3.87Å; Y198-E221 HydrophobicContact CG-CG 4.47Å; Y198-E221 PolarHBondContact N-OE1 3.32Å; Y198-E221 VanDerWaalsContact N-OE1 3.16Å; Y198-E221 PolarHBondContact N-OE2 2.8Å; Y198-V248 HydrophobicContact CD1-CG1 3.86Å; Y198-V248 HydrophobicContact CD2-CG1 3.69Å; Y198-V248 HydrophobicContact CE1-CG1 3.6Å; Y198-V248 HydrophobicContact CE2-CG1 3.43Å; Y198-V248 VanDerWaalsContact CE2-CG1 3.43Å; Y198-V248 HydrophobicContact CG-CG1 3.89Å
199	G	98.3	Very high	96.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.			trans	-68.7	148.3	174.4	0	0	0	0	0	113.2	N146 T196 L216	N146-G199 PolarHBondContact ND2-O 2.88Å; T196-G199 WeakPolarHBondContact OG1-CA 3.47Å; T196-G199 PolarHBondContact OG1-N 3.08Å; G199-L216 CarbonylContact C-O 3.6Å; G199-L216 WeakPolarHBondContact CA-O 3.25Å
200	G	97.8	Very high	96.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.8	177.1	0	0	0	0	0	110.6	L202 V215 L216	G200-L202 PolarHBondContact O-N 3.32Å; G200-V215 WeakPolarHBondContact O-CA 3.24Å; G200-L216 PolarHBondContact N-O 2.75Å; G200-L216 PolarHBondContact O-N 3.44Å
201	Y	97.7	Very high	96.1	Very high	36 Å²	36	33.6 Å²	33.6	14%	0.141	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	117	172.8	177.2	-136.2	0	0	0	109.4	K179 K203 D210 Q213 E214 V215	K179-Y201 HydrophobicContact CD-CD2 4.35Å; K179-Y201 HydrophobicContact CD-CE2 4.15Å; Y201-K203 VanDerWaalsContact C-N 3.27Å; Y201-K203 HydrophobicContact CD1-CG 3.61Å; Y201-K203 HydrophobicContact CE1-CB 4.29Å; Y201-K203 HydrophobicContact CE1-CG 3.75Å; Y201-K203 HydrophobicContact CG-CG 4.23Å; Y201-K203 PolarHBondContact O-N 2.95Å; Y201-D210 PolarHBondContact OH-OD1 3.3Å; Y201-Q213 HydrophobicContact CE2-CB 4.04Å; Y201-E214 WeakPolarHBondContact CD2-O 3.36Å; Y201-V215 HydrophobicContact CD2-CG2 3.93Å; Y201-V215 HydrophobicContact CG-CG2 4.42Å
202	L	97	Very high	95.9	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.171	C	C	.	.			trans	-77.2	-12.1	-173.5	-58.2	-172.9	0	0	0	113.3	I99 T103 L145 G200 Y205 A206 E214 L216	I99-L202 HydrophobicContact CD1-CD2 4.42Å; I99-L202 HydrophobicContact CG1-CD2 4.38Å; I99-L202 HydrophobicContact CG2-CD1 4.22Å; I99-L202 HydrophobicContact CG2-CD2 4.48Å; T103-L202 HydrophobicContact CG2-CD1 3.64Å; L145-L202 HydrophobicContact CD1-CD2 3.9Å; G200-L202 PolarHBondContact O-N 3.32Å; L202-Y205 VanDerWaalsContact O-CB 3.22Å; L202-Y205 WeakPolarHBondContact O-CB 3.45Å; L202-Y205 VanDerWaalsContact O-CD2 3.25Å; L202-Y205 WeakPolarHBondContact O-CD2 3.27Å; L202-Y205 PolarHBondContact O-N 3.39Å; L202-A206 HydrophobicContact CB-CB 4.38Å; L202-A206 HydrophobicContact CD1-CB 4.47Å; L202-E214 HydrophobicContact CD1-CB 4.18Å; L202-E214 HydrophobicContact CD1-CG 3.93Å; L202-E214 PolarHBondContact N-O 3.47Å; L202-L216 HydrophobicContact CD1-CB 4.1Å; L202-L216 HydrophobicContact CD2-CB 4.04Å; L202-L216 HydrophobicContact CG-CB 4.13Å
203	K	94.3	Very high	95.8	Very high	25 Å²	25	37 Å²	37	11%	0.109	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	53.6	-139.1	178.5	-49.4	174	-174.2	-179.4	0	110.5	E85 D88 Y201 Y205	E85-K203 WeakPolarHBondContact OE2-CD 3.42Å; E85-K203 IonicContact OE2-NZ 3.08Å; E85-K203 PolarHBondContact OE2-NZ 3.31Å; D88-K203 IonicContact OD1-NZ 2.6Å; D88-K203 PolarHBondContact OD1-NZ 3.36Å; D88-K203 IonicContact OD2-NZ 3.79Å; D88-K203 PolarHBondContact OD2-NZ 2.65Å; Y201-K203 VanDerWaalsContact C-N 3.27Å; Y201-K203 HydrophobicContact CD1-CG 3.61Å; Y201-K203 HydrophobicContact CE1-CB 4.29Å; Y201-K203 HydrophobicContact CE1-CG 3.75Å; Y201-K203 HydrophobicContact CG-CG 4.23Å; Y201-K203 PolarHBondContact O-N 2.95Å; K203-Y205 HydrophobicContact CD-CE2 4.19Å; K203-Y205 PolarHBondContact O-N 2.95Å
204	K	95	Very high	95.8	Very high	79 Å²	79	35 Å²	35	34%	0.343	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-74.5	0.6	173.8	66.4	-172.3	176.3	-176	0	114.9	R79 N83	R79-K204 PolarHBondContact NH2-O 3.24Å; N83-K204 WeakPolarHBondContact O-CE 3.27Å; N83-K204 PolarHBondContact O-NZ 3.07Å
205	Y	97.1	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-80.4	-22.6	-177	-51.9	-45	0	0	0	113.3	N80 E85 D88 L91 M96 L145 L202 K203	N80-Y205 HydrophobicContact CB-CD1 3.98Å; N80-Y205 WeakPolarHBondContact ND2-CA 3.03Å; N80-Y205 PolarHBondContact ND2-O 3.4Å; E85-Y205 PolarHBondContact N-OH 3.24Å; D88-Y205 HydrophobicContact CB-CE2 4.47Å; D88-Y205 WeakPolarHBondContact OD2-CE2 3.42Å; D88-Y205 VanDerWaalsContact OD2-CZ 3.29Å; D88-Y205 PolarHBondContact OD2-OH 2.84Å; L91-Y205 HydrophobicContact CD1-CD2 4.24Å; L91-Y205 HydrophobicContact CD1-CE2 3.85Å; M96-Y205 HydrophobicContact CE-CD1 3.95Å; M96-Y205 HydrophobicContact CE-CD2 4.37Å; M96-Y205 HydrophobicContact CE-CE1 3.68Å; M96-Y205 HydrophobicContact CE-CE2 4.13Å; M96-Y205 HydrophobicContact CE-CG 4.29Å; M96-Y205 HydrophobicContact SD-CD1 3.9Å; M96-Y205 HydrophobicContact SD-CD2 4.3Å; M96-Y205 HydrophobicContact SD-CE1 4.27Å; M96-Y205 HydrophobicContact SD-CG 3.92Å; L145-Y205 HydrophobicContact CD2-CD2 4.37Å; L145-Y205 HydrophobicContact CD2-CE2 4.06Å; L202-Y205 VanDerWaalsContact O-CB 3.22Å; L202-Y205 WeakPolarHBondContact O-CB 3.45Å; L202-Y205 VanDerWaalsContact O-CD2 3.25Å; L202-Y205 WeakPolarHBondContact O-CD2 3.27Å; L202-Y205 PolarHBondContact O-N 3.39Å; K203-Y205 HydrophobicContact CD-CE2 4.19Å; K203-Y205 PolarHBondContact O-N 2.95Å
206	A	94.8	Very high	95.7	Very high	1 Å²	1	34 Å²	34	1%	0.008	17%	0.168	C	C	.	.	S	Bend	trans	-58.6	152.6	168.6	0	0	0	0	0	110.6	T103 L202 L208 G209	T103-A206 HydrophobicContact CG2-CB 3.97Å; T103-A206 WeakPolarHBondContact OG1-CA 3.47Å; L202-A206 HydrophobicContact CB-CB 4.38Å; L202-A206 HydrophobicContact CD1-CB 4.47Å; A206-L208 VanDerWaalsContact C-N 3.26Å; A206-L208 PolarHBondContact O-N 2.99Å; A206-G209 WeakPolarHBondContact O-CA 3.34Å; A206-G209 PolarHBondContact O-N 3.03Å
207	V	93.4	Very high	95.7	Very high	54 Å²	54	34 Å²	34	33%	0.327	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-38.6	-179.3	167.3	0	0	0	0	111.7	C100 T103 A104 G209	C100-V207 HydrophobicContact CB-CG2 4.27Å; C100-V207 WeakPolarHBondContact O-CG2 3.46Å; T103-V207 PolarHBondContact OG1-N 3.08Å; A104-V207 HydrophobicContact CB-CG2 4.2Å; V207-G209 PolarHBondContact O-N 3.22Å
208	L	90.5	Very high	95.7	Very high	77 Å²	77	32.6 Å²	32.6	40%	0.403	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	13.3	173.9	-62.8	178.1	0	0	0	113.4	A206 D210 H211 E212	A206-L208 VanDerWaalsContact C-N 3.26Å; A206-L208 PolarHBondContact O-N 2.99Å; L208-D210 PolarHBondContact O-N 3.18Å; L208-H211 WeakPolarHBondContact O-CB 3.28Å; L208-H211 PolarHBondContact O-CD2 3.42Å; L208-H211 PolarHBondContact O-N 3.44Å; L208-E212 HydrophobicContact CB-CG 4.37Å; L208-E212 VanDerWaalsContact CD1-CD 3.44Å; L208-E212 HydrophobicContact CD1-CG 4.11Å; L208-E212 VanDerWaalsContact CD1-OE1 3.23Å; L208-E212 WeakPolarHBondContact CD1-OE1 3.32Å
209	G	88.9	Confident	95.7	Very high	11 Å²	11	28.8 Å²	28.8	11%	0.113	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	54	-135.4	179.4	0	0	0	0	0	112.2	A206 V207 H211	A206-G209 WeakPolarHBondContact O-CA 3.34Å; A206-G209 PolarHBondContact O-N 3.03Å; V207-G209 PolarHBondContact O-N 3.22Å; G209-H211 VanDerWaalsContact C-N 3.3Å; G209-H211 PolarHBondContact O-N 3.32Å
210	D	90.2	Very high	95.7	Very high	79 Å²	79	28.9 Å²	28.9	42%	0.422	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-85.7	2.8	-177.1	-157.4	42	0	0	0	114	Y201 L208 E212 Q213	Y201-D210 PolarHBondContact OH-OD1 3.3Å; L208-D210 PolarHBondContact O-N 3.18Å; D210-E212 VanDerWaalsContact C-N 3.26Å; D210-E212 PolarHBondContact O-N 3.01Å; D210-Q213 VanDerWaalsContact O-CG 3.24Å; D210-Q213 WeakPolarHBondContact O-CG 3.19Å; D210-Q213 PolarHBondContact O-N 3.44Å
211	H	93.5	Very high	95.7	Very high	156 Å²	156	28.9 Å²	28.9	72%	0.722	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-63.1	-33.1	-178.6	-66.8	-59.2	0	0	0	113	L180 L208 G209	L180-H211 WeakPolarHBondContact CD1-O 3.43Å; L208-H211 WeakPolarHBondContact O-CB 3.28Å; L208-H211 PolarHBondContact O-CD2 3.42Å; L208-H211 PolarHBondContact O-N 3.44Å; G209-H211 VanDerWaalsContact C-N 3.3Å; G209-H211 PolarHBondContact O-N 3.32Å
212	E	94.6	Very high	95.8	Very high	22 Å²	22	27.5 Å²	27.5	10%	0.103	14%	0.138	C	C	.	.	S	Bend	trans	-102.5	-7.3	179.7	-60.9	-169.3	153.8	0	0	112.9	S178 L183 K185 F186 L208 D210 E214	S178-E212 VanDerWaalsContact CB-O 3.24Å; S178-E212 WeakPolarHBondContact CB-O 3.39Å; S178-E212 PolarHBondContact OG-O 3.11Å; L183-E212 HydrophobicContact CD1-CB 3.98Å; L183-E212 HydrophobicContact CD1-CG 4.22Å; K185-E212 WeakPolarHBondContact CE-OE1 3.49Å; K185-E212 IonicContact NZ-OE1 3.77Å; K185-E212 PolarHBondContact NZ-OE1 3.28Å; F186-E212 VanDerWaalsContact CZ-OE1 3.24Å; F186-E212 WeakPolarHBondContact CZ-OE1 3.38Å; L208-E212 HydrophobicContact CB-CG 4.37Å; L208-E212 VanDerWaalsContact CD1-CD 3.44Å; L208-E212 HydrophobicContact CD1-CG 4.11Å; L208-E212 VanDerWaalsContact CD1-OE1 3.23Å; L208-E212 WeakPolarHBondContact CD1-OE1 3.32Å; D210-E212 VanDerWaalsContact C-N 3.26Å; D210-E212 PolarHBondContact O-N 3.01Å; E212-E214 PolarHBondContact O-N 2.9Å; E212-E214 VanDerWaalsContact O-N 3.09Å
213	Q	97.1	Very high	95.9	Very high	52 Å²	52	27.4 Å²	27.4	24%	0.243	14%	0.138	C	C	.	.			trans	39.9	48.5	-174.5	-56.7	-170.2	20.9	0	0	112.6	K179 L180 Y201 D210 V215	K179-Q213 HydrophobicContact CB-CB 3.98Å; K179-Q213 HydrophobicContact CD-CB 4.41Å; K179-Q213 HydrophobicContact CG-CB 4.41Å; K179-Q213 PolarHBondContact N-O 2.99Å; L180-Q213 HydrophobicContact CD1-CG 4.14Å; L180-Q213 HydrophobicContact CG-CB 4.3Å; L180-Q213 HydrophobicContact CG-CG 4.11Å; Y201-Q213 HydrophobicContact CE2-CB 4.04Å; D210-Q213 VanDerWaalsContact O-CG 3.24Å; D210-Q213 WeakPolarHBondContact O-CG 3.19Å; D210-Q213 PolarHBondContact O-N 3.44Å; Q213-V215 PolarHBondContact O-N 3.07Å
214	E	97.8	Very high	96.1	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.047	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	129.2	-166.4	-171.7	176	176.9	0	0	111.4	T103 S176 S177 Y201 L202 E212	T103-E214 WeakPolarHBondContact CG2-OE2 3.04Å; S176-E214 WeakPolarHBondContact CB-OE1 3.45Å; S176-E214 PolarHBondContact OG-OE1 3.01Å; S177-E214 CarbonylContact O-C 3.39Å; S177-E214 WeakPolarHBondContact O-CA 3.21Å; Y201-E214 WeakPolarHBondContact CD2-O 3.36Å; L202-E214 HydrophobicContact CD1-CB 4.18Å; L202-E214 HydrophobicContact CD1-CG 3.93Å; L202-E214 PolarHBondContact N-O 3.47Å; E212-E214 PolarHBondContact O-N 2.9Å; E212-E214 VanDerWaalsContact O-N 3.09Å
215	V	98.5	Very high	96.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.5	167.6	178.8	0	0	0	0	107.2	Y151 T153 S177 K179 T196 G200 Y201 Q213	Y151-V215 HydrophobicContact CD2-CG1 4.12Å; Y151-V215 HydrophobicContact CG-CG1 4.49Å; Y151-V215 HydrophobicContact CG-CG2 4.44Å; T153-V215 HydrophobicContact CG2-CB 3.7Å; T153-V215 HydrophobicContact CG2-CG1 3.96Å; T153-V215 HydrophobicContact CG2-CG2 3.7Å; S177-V215 PolarHBondContact N-O 3.39Å; S177-V215 PolarHBondContact O-N 3.47Å; S177-V215 PolarHBondContact OG-O 3.34Å; K179-V215 HydrophobicContact CG-CG2 4.05Å; T196-V215 HydrophobicContact CG2-CG1 4.03Å; G200-V215 WeakPolarHBondContact O-CA 3.24Å; Y201-V215 HydrophobicContact CD2-CG2 3.93Å; Y201-V215 HydrophobicContact CG-CG2 4.42Å; Q213-V215 PolarHBondContact O-N 3.07Å
216	L	98.3	Very high	96.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	119.8	-178.2	-171.1	57.4	0	0	0	110.2	Y102 L138 I142 F174 G199 G200 L202	Y102-L216 HydrophobicContact CD1-CD1 4.15Å; Y102-L216 HydrophobicContact CD1-CD2 3.84Å; Y102-L216 HydrophobicContact CE1-CD1 3.3Å; Y102-L216 HydrophobicContact CE1-CD2 3.86Å; Y102-L216 HydrophobicContact CE1-CG 4.22Å; Y102-L216 HydrophobicContact CG-CD2 4.42Å; Y102-L216 WeakPolarHBondContact OH-CD1 3.49Å; L138-L216 HydrophobicContact CD1-CD2 3.71Å; L138-L216 HydrophobicContact CD2-CD2 3.98Å; L138-L216 HydrophobicContact CG-CD2 3.87Å; I142-L216 HydrophobicContact CD1-CB 4.19Å; I142-L216 HydrophobicContact CD1-CD2 3.76Å; I142-L216 HydrophobicContact CD1-CG 3.7Å; I142-L216 HydrophobicContact CG1-CB 4.3Å; I142-L216 HydrophobicContact CG1-CD2 4.16Å; I142-L216 HydrophobicContact CG1-CG 4.27Å; F174-L216 HydrophobicContact CB-CD1 4.05Å; F174-L216 HydrophobicContact CD1-CD2 4.25Å; F174-L216 HydrophobicContact CD1-CG 4.38Å; G199-L216 CarbonylContact C-O 3.6Å; G199-L216 WeakPolarHBondContact CA-O 3.25Å; G200-L216 PolarHBondContact N-O 2.75Å; G200-L216 PolarHBondContact O-N 3.44Å; L202-L216 HydrophobicContact CD1-CB 4.1Å; L202-L216 HydrophobicContact CD2-CB 4.04Å; L202-L216 HydrophobicContact CG-CB 4.13Å
217	I	98.8	Very high	96.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.3	-179	-60.4	171.7	0	0	0	108.5	F171 F174 A175 I194 T196 E221 F223	F171-I217 HydrophobicContact CD2-CG2 4.28Å; F171-I217 HydrophobicContact CE2-CD1 4.19Å; F174-I217 WeakPolarHBondContact CA-O 3.38Å; A175-I217 HydrophobicContact CB-CB 4.15Å; A175-I217 PolarHBondContact N-O 2.98Å; A175-I217 WeakPolarHBondContact O-CB 3.35Å; A175-I217 PolarHBondContact O-N 3.31Å; I194-I217 HydrophobicContact CD1-CD1 3.9Å; I194-I217 HydrophobicContact CG2-CD1 3.98Å; T196-I217 HydrophobicContact CG2-CD1 4.14Å; T196-I217 HydrophobicContact CG2-CG1 4.03Å; I217-E221 HydrophobicContact CG2-CB 4.23Å; I217-E221 WeakPolarHBondContact CG2-OE2 3.49Å; I217-F223 HydrophobicContact CD1-CZ 4.42Å; I217-F223 HydrophobicContact CG2-CE2 4.07Å; I217-F223 HydrophobicContact CG2-CZ 3.85Å
218	P	98.4	Very high	96.7	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-74.4	157.6	179.9	31.3	-34.6	0	0	0	112.1	I142 Y198 Y220 E221	I142-P218 HydrophobicContact CD1-CB 4.31Å; I142-P218 HydrophobicContact CG2-CB 4.47Å; I142-P218 HydrophobicContact CG2-CG 4.34Å; Y198-P218 WeakPolarHBondContact O-CD 3.36Å; P218-Y220 HydrophobicContact CB-CD1 3.75Å; P218-Y220 HydrophobicContact CB-CD2 4.33Å; P218-Y220 HydrophobicContact CB-CE1 3.31Å; P218-Y220 HydrophobicContact CB-CE2 3.92Å; P218-Y220 HydrophobicContact CB-CG 4.27Å; P218-Y220 HydrophobicContact CG-CD1 4.36Å; P218-Y220 HydrophobicContact CG-CD2 4.04Å; P218-Y220 HydrophobicContact CG-CE1 3.9Å; P218-Y220 HydrophobicContact CG-CE2 3.49Å; P218-Y220 VanDerWaalsContact CG-CE2 3.49Å; P218-Y220 HydrophobicContact CG-CG 4.46Å; P218-Y220 VanDerWaalsContact CG-CZ 3.42Å; P218-Y220 PolarHBondContact O-N 2.96Å; P218-E221 HydrophobicContact CG-CB 4.44Å; P218-E221 PolarHBondContact O-N 3.21Å
219	P	98.1	Very high	97	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.5	-174.5	26.1	-35.8	0	0	0	114.9	D38 V118 R170 S173 F174	D38-P219 HydrophobicContact CB-CB 4.48Å; V118-P219 HydrophobicContact CG1-CB 4.26Å; R170-P219 WeakPolarHBondContact CD-O 3.33Å; R170-P219 WeakPolarHBondContact CG-O 3.34Å; R170-P219 PolarHBondContact NE-O 3.45Å; S173-P219 WeakPolarHBondContact O-CA 3.2Å; F174-P219 HydrophobicContact CE2-CG 4.24Å; F174-P219 HydrophobicContact CZ-CG 4.39Å
220	Y	97.9	Very high	97.3	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.012	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-6.2	-173.4	53.9	-104.2	0	0	0	115.1	R40 T139 Q143 Y198 P218 V248 Q249	R40-Y220 HydrophobicContact CB-CD1 4.46Å; R40-Y220 HydrophobicContact CB-CE1 4.43Å; R40-Y220 VanDerWaalsContact CD-CG 3.45Å; R40-Y220 HydrophobicContact CG-CD1 3.32Å; R40-Y220 HydrophobicContact CG-CD2 3.91Å; R40-Y220 HydrophobicContact CG-CE1 3.67Å; R40-Y220 HydrophobicContact CG-CE2 4.25Å; R40-Y220 HydrophobicContact CG-CG 3.41Å; R40-Y220 VanDerWaalsContact CG-CG 3.41Å; R40-Y220 VanDerWaalsContact NE-CD2 3.25Å; R40-Y220 VanDerWaalsContact NE-CE2 3.34Å; T139-Y220 HydrophobicContact CG2-CE1 4.05Å; Q143-Y220 PolarHBondContact NE2-OH 2.71Å; Y198-Y220 HydrophobicContact CD1-CE2 4.27Å; Y198-Y220 HydrophobicContact CG-CE2 4.41Å; P218-Y220 HydrophobicContact CB-CD1 3.75Å; P218-Y220 HydrophobicContact CB-CD2 4.33Å; P218-Y220 HydrophobicContact CB-CE1 3.31Å; P218-Y220 HydrophobicContact CB-CE2 3.92Å; P218-Y220 HydrophobicContact CB-CG 4.27Å; P218-Y220 HydrophobicContact CG-CD1 4.36Å; P218-Y220 HydrophobicContact CG-CD2 4.04Å; P218-Y220 HydrophobicContact CG-CE1 3.9Å; P218-Y220 HydrophobicContact CG-CE2 3.49Å; P218-Y220 VanDerWaalsContact CG-CE2 3.49Å; P218-Y220 HydrophobicContact CG-CG 4.46Å; P218-Y220 VanDerWaalsContact CG-CZ 3.42Å; P218-Y220 PolarHBondContact O-N 2.96Å; Y220-V248 HydrophobicContact CD2-CB 4.36Å; Y220-V248 HydrophobicContact CD2-CG1 3.87Å; Y220-V248 HydrophobicContact CE2-CG1 4.23Å; Y220-V248 WeakPolarHBondContact O-CA 3.4Å; Y220-Q249 WeakPolarHBondContact CA-O 3.45Å; Y220-Q249 WeakPolarHBondContact CB-O 3.46Å; Y220-Q249 PolarHBondContact O-N 2.59Å
221	E	98.6	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.6	178.6	-173.1	170.9	-163.7	0	0	110.6	R170 T196 C197 Y198 I217 P218 F223	R170-E221 WeakPolarHBondContact CG-O 3.3Å; T196-E221 WeakPolarHBondContact CA-OE1 3.42Å; T196-E221 WeakPolarHBondContact CB-OE2 3.43Å; T196-E221 PolarHBondContact OG1-OE1 3.24Å; T196-E221 PolarHBondContact OG1-OE2 2.76Å; C197-E221 PolarHBondContact N-OE1 3.42Å; Y198-E221 HydrophobicContact CD2-CB 4.5Å; Y198-E221 HydrophobicContact CD2-CG 3.87Å; Y198-E221 HydrophobicContact CG-CG 4.47Å; Y198-E221 PolarHBondContact N-OE1 3.32Å; Y198-E221 VanDerWaalsContact N-OE1 3.16Å; Y198-E221 PolarHBondContact N-OE2 2.8Å; I217-E221 HydrophobicContact CG2-CB 4.23Å; I217-E221 WeakPolarHBondContact CG2-OE2 3.49Å; P218-E221 HydrophobicContact CG-CB 4.44Å; P218-E221 PolarHBondContact O-N 3.21Å; E221-F223 HydrophobicContact CB-CE2 3.97Å; E221-F223 HydrophobicContact CB-CZ 4Å; E221-F223 HydrophobicContact CG-CE1 3.98Å; E221-F223 HydrophobicContact CG-CE2 3.79Å; E221-F223 HydrophobicContact CG-CZ 3.45Å; E221-F223 VanDerWaalsContact CG-CZ 3.45Å; E221-F223 WeakPolarHBondContact O-CE2 3.36Å; E221-F223 WeakPolarHBondContact OE2-CZ 3.37Å
222	T	98.7	Very high	97.6	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	145.7	-179.9	59	0	0	0	0	110.9	M32 P245 T246 G247 Q249	M32-T222 HydrophobicContact CE-CG2 3.78Å; T222-P245 WeakPolarHBondContact O-CA 3.02Å; T222-T246 WeakPolarHBondContact CB-OG1 3.24Å; T222-T246 PolarHBondContact O-N 3.07Å; T222-T246 PolarHBondContact OG1-OG1 3.49Å; T222-G247 PolarHBondContact N-O 3.28Å; T222-G247 VanDerWaalsContact N-O 3.07Å; T222-G247 VanDerWaalsContact OG1-C 3.23Å; T222-G247 PolarHBondContact OG1-N 2.85Å; T222-G247 PolarHBondContact OG1-O 3.22Å; T222-Q249 HydrophobicContact CG2-CB 3.59Å
223	F	98.9	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.6	-179.2	-56.3	-87.9	0	0	0	111.5	E168 I169 F171 I194 T195 I217 E221 L243 K244 P245	E168-F223 CarbonylContact C-O 3.59Å; E168-F223 WeakPolarHBondContact CA-O 3.23Å; I169-F223 HydrophobicContact CD1-CB 4.37Å; I169-F223 HydrophobicContact CG1-CB 4.24Å; I169-F223 PolarHBondContact N-O 2.74Å; I169-F223 PolarHBondContact O-N 2.71Å; F171-F223 HydrophobicContact CD2-CD2 4.37Å; F171-F223 AromaticContact CD2-CE2 3.87Å; F171-F223 HydrophobicContact CD2-CE2 3.87Å; F171-F223 HydrophobicContact CE2-CD2 4.15Å; F171-F223 AromaticContact CE2-CE2 3.76Å; F171-F223 HydrophobicContact CE2-CE2 3.76Å; F171-F223 HydrophobicContact CE2-CZ 4.31Å; I194-F223 HydrophobicContact CG2-CD1 4.05Å; I194-F223 HydrophobicContact CG2-CE1 3.52Å; I194-F223 HydrophobicContact CG2-CZ 3.99Å; T195-F223 WeakPolarHBondContact O-CE1 3.36Å; I217-F223 HydrophobicContact CD1-CZ 4.42Å; I217-F223 HydrophobicContact CG2-CE2 4.07Å; I217-F223 HydrophobicContact CG2-CZ 3.85Å; E221-F223 HydrophobicContact CB-CE2 3.97Å; E221-F223 HydrophobicContact CB-CZ 4Å; E221-F223 HydrophobicContact CG-CE1 3.98Å; E221-F223 HydrophobicContact CG-CE2 3.79Å; E221-F223 HydrophobicContact CG-CZ 3.45Å; E221-F223 VanDerWaalsContact CG-CZ 3.45Å; E221-F223 WeakPolarHBondContact O-CE2 3.36Å; E221-F223 WeakPolarHBondContact OE2-CZ 3.37Å; F223-L243 HydrophobicContact CB-CB 4.04Å; F223-L243 HydrophobicContact CB-CD1 4.18Å; F223-L243 HydrophobicContact CB-CG 4.49Å; F223-L243 HydrophobicContact CD1-CB 4.12Å; F223-L243 HydrophobicContact CG-CB 4.27Å; F223-L243 HydrophobicContact CG-CD1 4.24Å; F223-K244 CarbonylContact C-O 3.6Å; F223-K244 WeakPolarHBondContact CA-O 3.34Å; F223-P245 HydrophobicContact CD1-CB 4.38Å; F223-P245 HydrophobicContact CE1-CB 4.4Å
224	K	98.8	Very high	97.7	Very high	73 Å²	73	35.3 Å²	35.3	32%	0.317	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	135	167.4	-172.5	170.6	-177.4	-179.5	0	110.1	N166 Q167 I226 L243 K244 T246	N166-K224 WeakPolarHBondContact O-CE 3.25Å; N166-K224 WeakPolarHBondContact OD1-CE 3.45Å; N166-K224 PolarHBondContact OD1-NZ 3.41Å; Q167-K224 WeakPolarHBondContact O-CA 3.26Å; K224-I226 PolarHBondContact O-N 2.84Å; K224-L243 WeakPolarHBondContact O-CA 3.4Å; K224-K244 PolarHBondContact N-O 2.89Å; K224-K244 PolarHBondContact O-N 3.38Å; K224-T246 HydrophobicContact CB-CG2 3.57Å
225	I	98.8	Very high	97.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	109.4	170.2	-57	178.8	0	0	0	107.8	L30 E164 N166 Q167 I169 K228 Y241 L243	L30-I225 HydrophobicContact CD1-CD1 4.02Å; E164-I225 WeakPolarHBondContact O-CB 3.35Å; N166-I225 PolarHBondContact N-O 3.49Å; Q167-I225 HydrophobicContact CB-CD1 4.23Å; Q167-I225 PolarHBondContact O-N 3.33Å; I169-I225 HydrophobicContact CG2-CD1 4.14Å; I169-I225 HydrophobicContact CG2-CG1 4.4Å; I225-K228 HydrophobicContact CG2-CG 4.41Å; I225-Y241 HydrophobicContact CD1-CD1 3.96Å; I225-Y241 HydrophobicContact CD1-CE1 4.29Å; I225-Y241 HydrophobicContact CD1-CG 4.49Å; I225-Y241 HydrophobicContact CG2-CD1 3.81Å; I225-L243 HydrophobicContact CB-CD2 4.34Å; I225-L243 HydrophobicContact CG1-CD2 3.67Å
226	I	98.7	Very high	97.7	Very high	77 Å²	77	41.1 Å²	41.1	40%	0.395	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-21.1	-177.5	59.9	151.2	0	0	0	113.3	K224 V242 K244	K224-I226 PolarHBondContact O-N 2.84Å; I226-V242 HydrophobicContact CD1-CG1 3.86Å; I226-V242 HydrophobicContact CG1-CB 4.05Å; I226-V242 HydrophobicContact CG1-CG1 3.84Å; I226-V242 VanDerWaalsContact CG1-O 3.26Å; I226-V242 WeakPolarHBondContact CG1-O 3.48Å; I226-V242 PolarHBondContact N-O 2.95Å; I226-K244 HydrophobicContact CD1-CD 4.48Å; I226-K244 HydrophobicContact CD1-CG 3.57Å; I226-K244 HydrophobicContact CG1-CG 4Å; I226-K244 HydrophobicContact CG2-CB 4Å; I226-K244 HydrophobicContact CG2-CG 3.95Å
227	S	98.3	Very high	97.6	Very high	19 Å²	19	41.2 Å²	41.2	13%	0.133	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	151.7	178.7	167.1	0	0	0	0	110.1	D229 V242	S227-D229 VanDerWaalsContact OG-CB 3.31Å; S227-D229 WeakPolarHBondContact OG-CB 3.38Å; S227-D229 PolarHBondContact OG-N 3.21Å; S227-D229 PolarHBondContact OG-OD2 3.31Å; S227-V242 PolarHBondContact O-N 3.24Å
228	K	97.9	Very high	97.6	Very high	70 Å²	70	48.4 Å²	48.4	30%	0.304	25%	0.245	S	C	.	.			trans	-110.6	6.2	170.7	-69.1	169.2	73.7	163.3	0	111.8	G163 E164 I165 I225 V240 Y241	G163-K228 WeakPolarHBondContact O-CE 3.23Å; G163-K228 PolarHBondContact O-NZ 2.79Å; E164-K228 IonicContact OE1-NZ 3.31Å; E164-K228 PolarHBondContact OE1-NZ 3.28Å; E164-K228 IonicContact OE2-NZ 3.01Å; E164-K228 PolarHBondContact OE2-NZ 3.29Å; I165-K228 HydrophobicContact CG1-CD 3.98Å; I165-K228 HydrophobicContact CG1-CG 4.1Å; I225-K228 HydrophobicContact CG2-CG 4.41Å; K228-V240 VanDerWaalsContact CA-O 3.3Å; K228-V240 WeakPolarHBondContact CA-O 3.38Å; K228-Y241 HydrophobicContact CD-CD1 4.42Å; K228-Y241 HydrophobicContact CD-CE1 3.99Å; K228-Y241 HydrophobicContact CG-CD1 3.8Å; K228-Y241 HydrophobicContact CG-CE1 3.83Å
229	D	96.1	Very high	97.6	Very high	122 Å²	122	50.6 Å²	50.6	65%	0.652	26%	0.258	S	S	*	.			trans	-68.8	147	-179.7	-54.8	-43.8	0	0	0	110.4	S227 P231	S227-D229 VanDerWaalsContact OG-CB 3.31Å; S227-D229 WeakPolarHBondContact OG-CB 3.38Å; S227-D229 PolarHBondContact OG-N 3.21Å; S227-D229 PolarHBondContact OG-OD2 3.31Å; D229-P231 WeakPolarHBondContact O-CD 3.33Å
230	K	94.6	Very high	97.6	Very high	111 Å²	111	50.6 Å²	50.6	48%	0.483	26%	0.258	S	S	.	.			trans	-88.2	105.9	178.7	-61.7	-172.8	-174.7	-175.4	0	109.6	C237 K238 V240	K230-C237 WeakPolarHBondContact CE-O 3.04Å; K230-C237 PolarHBondContact NZ-O 2.98Å; K230-K238 WeakPolarHBondContact CE-O 3.4Å; K230-K238 PolarHBondContact NZ-O 3.31Å; K230-V240 HydrophobicContact CB-CG2 4.39Å; K230-V240 HydrophobicContact CG-CB 4.32Å; K230-V240 HydrophobicContact CG-CG2 3.92Å
231	P	94.6	Very high	97.6	Very high	28 Å²	28	50.8 Å²	50.8	18%	0.182	26%	0.259	C	S	.	.			trans	-69.5	159.2	171.7	35.9	-37.7	0	0	0	109.4	K193 D229 E233 L234 S235	K193-P231 HydrophobicContact CD-CG 4.19Å; D229-P231 WeakPolarHBondContact O-CD 3.33Å; P231-E233 WeakPolarHBondContact CB-OE2 3.28Å; P231-E233 PolarHBondContact O-N 2.71Å; P231-E233 VanDerWaalsContact O-N 3.13Å; P231-L234 HydrophobicContact CG-CB 4.09Å; P231-L234 HydrophobicContact CG-CD1 4.32Å; P231-L234 HydrophobicContact CG-CG 4.3Å; P231-L234 CarbonylContact O-C 3.52Å; P231-L234 PolarHBondContact O-N 3.2Å; P231-S235 PolarHBondContact O-N 3.25Å; P231-S235 VanDerWaalsContact O-N 3.11Å
232	L	95.8	Very high	97.7	Very high	150 Å²	150	52 Å²	52	79%	0.785	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-53.1	-39.6	-177.3	-177.2	63.9	0	0	0	111.9	L234 S235	L232-L234 PolarHBondContact O-N 3.15Å; L232-S235 WeakPolarHBondContact O-CB 3.47Å; L232-S235 PolarHBondContact O-N 3.4Å; L232-S235 PolarHBondContact O-OG 3.43Å
233	E	97.2	Very high	97.7	Very high	72 Å²	72	51.7 Å²	51.7	34%	0.336	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-62.4	-21.6	-179.5	-53.5	98.4	111.4	0	0	114.2	F154 K193 P231	F154-E233 HydrophobicContact CE1-CB 3.87Å; F154-E233 HydrophobicContact CE1-CG 4.34Å; F154-E233 HydrophobicContact CZ-CB 4.15Å; F154-E233 HydrophobicContact CZ-CG 4.18Å; K193-E233 IonicContact NZ-OE1 3.87Å; K193-E233 PolarHBondContact NZ-OE1 2.87Å; P231-E233 WeakPolarHBondContact CB-OE2 3.28Å; P231-E233 PolarHBondContact O-N 2.71Å; P231-E233 VanDerWaalsContact O-N 3.13Å
234	L	97.8	Very high	97.7	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-126.9	22.2	-177.8	-62	-179.5	0	0	0	112.2	F154 C191 K193 P231 L232 D236 C237 V240	F154-L234 HydrophobicContact CD1-CD1 4.09Å; F154-L234 HydrophobicContact CD1-CD2 3.96Å; F154-L234 HydrophobicContact CD1-CG 4.02Å; F154-L234 HydrophobicContact CE1-CG 4.41Å; C191-L234 HydrophobicContact CB-CD1 3.97Å; C191-L234 HydrophobicContact CB-CD2 4.14Å; C191-L234 HydrophobicContact CB-CG 4.49Å; K193-L234 HydrophobicContact CB-CD1 4.11Å; P231-L234 HydrophobicContact CG-CB 4.09Å; P231-L234 HydrophobicContact CG-CD1 4.32Å; P231-L234 HydrophobicContact CG-CG 4.3Å; P231-L234 CarbonylContact O-C 3.52Å; P231-L234 PolarHBondContact O-N 3.2Å; L232-L234 PolarHBondContact O-N 3.15Å; L234-D236 PolarHBondContact O-N 3.42Å; L234-D236 VanDerWaalsContact O-N 3.13Å; L234-C237 WeakPolarHBondContact O-CB 3.46Å; L234-C237 PolarHBondContact O-N 2.96Å; L234-V240 HydrophobicContact CB-CG2 3.85Å; L234-V240 HydrophobicContact CD1-CG1 3.9Å; L234-V240 HydrophobicContact CD1-CG2 4.29Å
235	S	97.2	Very high	97.6	Very high	75 Å²	75	54.3 Å²	54.3	52%	0.524	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.9	-179	49.7	0	0	0	0	113.5	P231 L232 C237	P231-S235 PolarHBondContact O-N 3.25Å; P231-S235 VanDerWaalsContact O-N 3.11Å; L232-S235 WeakPolarHBondContact O-CB 3.47Å; L232-S235 PolarHBondContact O-N 3.4Å; L232-S235 PolarHBondContact O-OG 3.43Å; S235-C237 VanDerWaalsContact C-N 3.32Å; S235-C237 PolarHBondContact O-N 3.27Å
236	D	97.6	Very high	97.6	Very high	56 Å²	56	57.4 Å²	57.4	30%	0.299	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-2.2	179.2	74.1	-41.3	0	0	0	114.5	R156 T184 K188 L234	R156-D236 IonicContact CZ-OD1 2.76Å; R156-D236 IonicContact CZ-OD2 2.67Å; R156-D236 IonicContact NH1-OD1 2.74Å; R156-D236 PolarHBondContact NH1-OD1 2.04Å; R156-D236 IonicContact NH1-OD2 3.74Å; R156-D236 PolarHBondContact NH1-OD2 2.86Å; R156-D236 VanDerWaalsContact NH1-OD2 3.08Å; R156-D236 IonicContact NH2-OD1 2.71Å; R156-D236 PolarHBondContact NH2-OD1 3.43Å; R156-D236 IonicContact NH2-OD2 2.71Å; T184-D236 WeakPolarHBondContact CG2-OD2 3.46Å; K188-D236 HydrophobicContact CD-CB 4.38Å; K188-D236 WeakPolarHBondContact CD-OD2 3.27Å; K188-D236 WeakPolarHBondContact CE-OD2 3.16Å; K188-D236 IonicContact NZ-OD2 3.75Å; K188-D236 PolarHBondContact NZ-OD2 3.29Å; L234-D236 PolarHBondContact O-N 3.42Å; L234-D236 VanDerWaalsContact O-N 3.13Å
237	C	98.1	Very high	97.5	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.014	29%	0.29	C	S	.	.			trans	-86.4	143.8	178.5	-63.1	0	0	0	0	112.1	K188 C191 K230 L234 S235 V240	K188-C237 CarbonylContact O-C 3.55Å; K188-C237 WeakPolarHBondContact O-CA 3.36Å; C191-C237 HydrophobicContact CB-CB 3.61Å; C191-C237 WeakPolarHBondContact CB-SG 3.45Å; C191-C237 WeakPolarHBondContact SG-CB 3.36Å; C191-C237 CovalentContact SG-SG 2.02Å; C191-C237 PolarHBondContact SG-SG 3.32Å; K230-C237 WeakPolarHBondContact CE-O 3.04Å; K230-C237 PolarHBondContact NZ-O 2.98Å; L234-C237 WeakPolarHBondContact O-CB 3.46Å; L234-C237 PolarHBondContact O-N 2.96Å; S235-C237 VanDerWaalsContact C-N 3.32Å; S235-C237 PolarHBondContact O-N 3.27Å; C237-V240 HydrophobicContact CB-CG2 3.84Å
238	K	97.8	Very high	97.4	Very high	152 Å²	152	56.1 Å²	56.1	66%	0.661	30%	0.297	S	S	*	.	S	Bend	trans	-67.2	-49.6	176.5	-61.8	-177.6	179	-176.8	0	111	K188 T189 K230	K188-K238 PolarHBondContact O-N 3.28Å; T189-K238 WeakPolarHBondContact O-CB 3.25Å; T189-K238 PolarHBondContact O-N 3.34Å; K230-K238 WeakPolarHBondContact CE-O 3.4Å; K230-K238 PolarHBondContact NZ-O 3.31Å
239	T	97.9	Very high	97.3	Very high	46 Å²	46	56.5 Å²	56.5	28%	0.282	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.6	176.5	-56.6	0	0	0	0	109.9	T189 C191 Y241	T189-T239 PolarHBondContact O-N 2.9Å; C191-T239 PolarHBondContact N-O 3.31Å; T239-Y241 HydrophobicContact CG2-CD2 4.39Å; T239-Y241 HydrophobicContact CG2-CE1 4.36Å; T239-Y241 HydrophobicContact CG2-CE2 3.72Å
240	V	98.5	Very high	97.3	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.2	174.3	176.2	0	0	0	0	109.9	C191 K228 K230 L234 C237 V242	C191-V240 HydrophobicContact CB-CG2 4.42Å; C191-V240 CarbonylContact O-C 3.59Å; C191-V240 VanDerWaalsContact O-CA 3.3Å; C191-V240 WeakPolarHBondContact O-CA 3.23Å; K228-V240 VanDerWaalsContact CA-O 3.3Å; K228-V240 WeakPolarHBondContact CA-O 3.38Å; K230-V240 HydrophobicContact CB-CG2 4.39Å; K230-V240 HydrophobicContact CG-CB 4.32Å; K230-V240 HydrophobicContact CG-CG2 3.92Å; L234-V240 HydrophobicContact CB-CG2 3.85Å; L234-V240 HydrophobicContact CD1-CG1 3.9Å; L234-V240 HydrophobicContact CD1-CG2 4.29Å; C237-V240 HydrophobicContact CB-CG2 3.84Å; V240-V242 HydrophobicContact CG1-CG2 4.41Å
241	Y	98.8	Very high	97.2	Very high	6 Å²	6	49.9 Å²	49.9	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.7	165.5	-61.4	-70	0	0	0	110	L30 L161 T162 G163 T190 C191 F192 K193 I225 K228 T239	L30-Y241 HydrophobicContact CD1-CD2 3.99Å; L30-Y241 HydrophobicContact CD1-CE2 3.95Å; L30-Y241 HydrophobicContact CD1-CG 4.43Å; L161-Y241 WeakPolarHBondContact O-CE2 3.48Å; L161-Y241 PolarHBondContact O-OH 3.49Å; T162-Y241 WeakPolarHBondContact CA-OH 3.36Å; G163-Y241 PolarHBondContact N-OH 3.49Å; G163-Y241 WeakPolarHBondContact O-CE1 3.4Å; T190-Y241 HydrophobicContact CG2-CD2 3.65Å; T190-Y241 HydrophobicContact CG2-CE2 3.58Å; C191-Y241 PolarHBondContact O-N 3.03Å; F192-Y241 VanDerWaalsContact CA-O 3.27Å; F192-Y241 WeakPolarHBondContact CA-O 3.22Å; F192-Y241 HydrophobicContact CD1-CD2 4.2Å; F192-Y241 HydrophobicContact CD1-CG 4.44Å; F192-Y241 AromaticContact CE1-CD2 3.62Å; F192-Y241 HydrophobicContact CE1-CD2 3.62Å; F192-Y241 HydrophobicContact CE1-CG 4.17Å; F192-Y241 HydrophobicContact CZ-CD2 4.08Å; K193-Y241 PolarHBondContact N-O 2.89Å; I225-Y241 HydrophobicContact CD1-CD1 3.96Å; I225-Y241 HydrophobicContact CD1-CE1 4.29Å; I225-Y241 HydrophobicContact CD1-CG 4.49Å; I225-Y241 HydrophobicContact CG2-CD1 3.81Å; K228-Y241 HydrophobicContact CD-CD1 4.42Å; K228-Y241 HydrophobicContact CD-CE1 3.99Å; K228-Y241 HydrophobicContact CG-CD1 3.8Å; K228-Y241 HydrophobicContact CG-CE1 3.83Å; T239-Y241 HydrophobicContact CG2-CD2 4.39Å; T239-Y241 HydrophobicContact CG2-CE1 4.36Å; T239-Y241 HydrophobicContact CG2-CE2 3.72Å
242	V	98.8	Very high	97.2	Very high	25 Å²	25	48.7 Å²	48.7	15%	0.152	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.1	171.4	-172.9	0	0	0	0	108.3	K193 I226 S227 V240	K193-V242 HydrophobicContact CB-CG2 4.46Å; K193-V242 CarbonylContact O-C 3.54Å; K193-V242 WeakPolarHBondContact O-CA 3.05Å; I226-V242 HydrophobicContact CD1-CG1 3.86Å; I226-V242 HydrophobicContact CG1-CB 4.05Å; I226-V242 HydrophobicContact CG1-CG1 3.84Å; I226-V242 VanDerWaalsContact CG1-O 3.26Å; I226-V242 WeakPolarHBondContact CG1-O 3.48Å; I226-V242 PolarHBondContact N-O 2.95Å; S227-V242 PolarHBondContact O-N 3.24Å; V240-V242 HydrophobicContact CG1-CG2 4.41Å
243	L	98.9	Very high	96.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.3	-173	-58.7	-171.1	0	0	0	111.4	I169 F171 F192 K193 I194 T195 F223 K224 I225	I169-L243 HydrophobicContact CD1-CD1 3.91Å; I169-L243 HydrophobicContact CD1-CD2 4.48Å; I169-L243 HydrophobicContact CG1-CD2 4.37Å; F171-L243 HydrophobicContact CE2-CD1 4.26Å; F171-L243 HydrophobicContact CZ-CD1 3.73Å; F192-L243 HydrophobicContact CD1-CD1 3.71Å; F192-L243 HydrophobicContact CD1-CG 4.09Å; F192-L243 HydrophobicContact CE1-CD1 4.36Å; K193-L243 PolarHBondContact O-N 3.14Å; I194-L243 HydrophobicContact CG1-CD1 4.18Å; I194-L243 HydrophobicContact CG2-CB 4.28Å; T195-L243 PolarHBondContact N-O 3.42Å; F223-L243 HydrophobicContact CB-CB 4.04Å; F223-L243 HydrophobicContact CB-CD1 4.18Å; F223-L243 HydrophobicContact CB-CG 4.49Å; F223-L243 HydrophobicContact CD1-CB 4.12Å; F223-L243 HydrophobicContact CG-CB 4.27Å; F223-L243 HydrophobicContact CG-CD1 4.24Å; K224-L243 WeakPolarHBondContact O-CA 3.4Å; I225-L243 HydrophobicContact CB-CD2 4.34Å; I225-L243 HydrophobicContact CG1-CD2 3.67Å
244	K	98.7	Very high	96.7	Very high	92 Å²	92	42.9 Å²	42.9	40%	0.4	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.5	168.2	-74.8	-67.8	-178.3	-174	0	110.4	T195 F223 K224 I226	T195-K244 HydrophobicContact CG2-CD 4.47Å; T195-K244 PolarHBondContact OG1-NZ 3.4Å; F223-K244 CarbonylContact C-O 3.6Å; F223-K244 WeakPolarHBondContact CA-O 3.34Å; K224-K244 PolarHBondContact N-O 2.89Å; K224-K244 PolarHBondContact O-N 3.38Å; I226-K244 HydrophobicContact CD1-CD 4.48Å; I226-K244 HydrophobicContact CD1-CG 3.57Å; I226-K244 HydrophobicContact CG1-CG 4Å; I226-K244 HydrophobicContact CG2-CB 4Å; I226-K244 HydrophobicContact CG2-CG 3.95Å
245	P	98.4	Very high	96.3	Very high	37 Å²	37	47 Å²	47	24%	0.24	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	136.6	-178.1	30.9	-28.6	0	0	0	108.8	T195 C197 T222 F223	T195-P245 HydrophobicContact CG2-CG 4.33Å; T195-P245 WeakPolarHBondContact O-CD 3.4Å; C197-P245 HydrophobicContact CB-CG 4.45Å; T222-P245 WeakPolarHBondContact O-CA 3.02Å; F223-P245 HydrophobicContact CD1-CB 4.38Å; F223-P245 HydrophobicContact CE1-CB 4.4Å
246	T	98.3	Very high	96.1	Very high	65 Å²	65	43.4 Å²	43.4	40%	0.399	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-8.9	172.7	57.2	0	0	0	0	112.8	E168 T222 K224	E168-T246 WeakPolarHBondContact OE1-CB 3.22Å; E168-T246 PolarHBondContact OE1-OG1 3.28Å; T222-T246 WeakPolarHBondContact CB-OG1 3.24Å; T222-T246 PolarHBondContact O-N 3.07Å; T222-T246 PolarHBondContact OG1-OG1 3.49Å; K224-T246 HydrophobicContact CB-CG2 3.57Å
247	G	97	Very high	95.7	Very high	20 Å²	20	41.1 Å²	41.1	21%	0.206	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.5	-134.2	176.9	0	0	0	0	0	111.1	T222	T222-G247 PolarHBondContact N-O 3.28Å; T222-G247 VanDerWaalsContact N-O 3.07Å; T222-G247 VanDerWaalsContact OG1-C 3.23Å; T222-G247 PolarHBondContact OG1-N 2.85Å; T222-G247 PolarHBondContact OG1-O 3.22Å
248	V	96.3	Very high	94.7	Very high	48 Å²	48	46.8 Å²	46.8	29%	0.291	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.7	-175.8	-68.6	0	0	0	0	109.4	Y198 Y220	Y198-V248 HydrophobicContact CD1-CG1 3.86Å; Y198-V248 HydrophobicContact CD2-CG1 3.69Å; Y198-V248 HydrophobicContact CE1-CG1 3.6Å; Y198-V248 HydrophobicContact CE2-CG1 3.43Å; Y198-V248 VanDerWaalsContact CE2-CG1 3.43Å; Y198-V248 HydrophobicContact CG-CG1 3.89Å; Y220-V248 HydrophobicContact CD2-CB 4.36Å; Y220-V248 HydrophobicContact CD2-CG1 3.87Å; Y220-V248 HydrophobicContact CE2-CG1 4.23Å; Y220-V248 WeakPolarHBondContact O-CA 3.4Å
249	Q	96	Very high	93.8	Very high	79 Å²	79	42.8 Å²	42.8	37%	0.369	24%	0.235	S	C	.	.			trans	-134.2	137.1	169	-177.1	174.5	-27.2	0	0	107.5	R170 Y220 T222	R170-Q249 PolarHBondContact NH1-O 2.96Å; Y220-Q249 WeakPolarHBondContact CA-O 3.45Å; Y220-Q249 WeakPolarHBondContact CB-O 3.46Å; Y220-Q249 PolarHBondContact O-N 2.59Å; T222-Q249 HydrophobicContact CG2-CB 3.59Å
250	S	94.7	Very high	92.4	Very high	35 Å²	35	47.8 Å²	47.8	25%	0.245	26%	0.259	C	S	.	.			trans	-146.1	124.6	-177.3	179.2	0	0	0	0	108.2	D38 L252	D38-S250 PolarHBondContact O-OG 3.42Å; D38-S250 PolarHBondContact OD1-OG 3.19Å; S250-L252 PolarHBondContact OG-O 3.46Å
251	N	93.9	Very high	90.6	Very high	59 Å²	59	50.2 Å²	50.2	32%	0.316	27%	0.271	S	S	.	.	S	Bend	trans	-88.5	-11.4	-180	-61.5	-44.4	0	0	0	111.5	D38 R170	D38-N251 PolarHBondContact OD1-N 3.49Å; D38-N251 PolarHBondContact OD2-N 2.87Å; D38-N251 PolarHBondContact OD2-ND2 3.48Å; R170-N251 PolarHBondContact NH2-ND2 3.5Å
252	L	93.5	Very high	88.2	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.016	33%	0.326	C	S	.	.			trans	-121.8	125.9	174.8	-58.8	174.5	0	0	0	108.8	V37 D38 D39 R122 Y125 S250	V37-L252 HydrophobicContact CB-CD1 4.17Å; V37-L252 HydrophobicContact CG1-CD1 3.87Å; V37-L252 HydrophobicContact CG2-CD1 4.41Å; D38-L252 WeakPolarHBondContact OD1-CB 3.43Å; D38-L252 PolarHBondContact OD1-N 3.14Å; D39-L252 VanDerWaalsContact CA-O 3.28Å; D39-L252 WeakPolarHBondContact CA-O 3.12Å; D39-L252 HydrophobicContact CB-CB 3.93Å; R122-L252 HydrophobicContact CG-CD1 4.07Å; R122-L252 HydrophobicContact CG-CD2 3.83Å; R122-L252 HydrophobicContact CG-CG 3.97Å; Y125-L252 HydrophobicContact CD1-CB 4.45Å; Y125-L252 HydrophobicContact CD1-CD1 3.53Å; Y125-L252 HydrophobicContact CD1-CD2 3.97Å; Y125-L252 HydrophobicContact CD1-CG 4.22Å; Y125-L252 HydrophobicContact CD2-CD1 4.17Å; Y125-L252 HydrophobicContact CE1-CB 4.43Å; Y125-L252 HydrophobicContact CE1-CD1 3.99Å; Y125-L252 HydrophobicContact CG-CD1 3.6Å; Y125-L252 HydrophobicContact CG-CD2 4.49Å; S250-L252 PolarHBondContact OG-O 3.46Å
253	N	89.9	Confident	87.7	Confident	81 Å²	81	62.4 Å²	62.4	43%	0.433	33%	0.334	S	S	.	.	S	Bend	trans	-142.1	108.6	170.6	-174.5	34.2	0	0	0	109.3	D39 S42 Q255	D39-N253 WeakPolarHBondContact OD1-CA 3.37Å; S42-N253 PolarHBondContact N-OD1 3.31Å; S42-N253 PolarHBondContact OG-ND2 2.83Å; S42-N253 PolarHBondContact OG-OD1 2.6Å; N253-Q255 PolarHBondContact O-N 2.97Å; N253-Q255 VanDerWaalsContact O-N 3.16Å
254	C	93.2	Very high	87.1	Confident	18 Å²	18	65.6 Å²	65.6	12%	0.122	35%	0.352	C	S	.	.	S	Bend	trans	60.6	20.6	-178.8	-63.2	0	0	0	0	114.4	D39 C44 V256 A257	D39-C254 PolarHBondContact OD1-N 3.49Å; D39-C254 PolarHBondContact OD2-N 2.9Å; C44-C254 HydrophobicContact CB-CB 3.58Å; C44-C254 WeakPolarHBondContact CB-SG 3.32Å; C44-C254 PolarHBondContact N-SG 2.9Å; C44-C254 VanDerWaalsContact N-SG 3.39Å; C44-C254 WeakPolarHBondContact SG-CA 3.41Å; C44-C254 WeakPolarHBondContact SG-CB 2.95Å; C44-C254 CovalentContact SG-SG 2.02Å; C44-C254 PolarHBondContact SG-SG 3.2Å; C254-V256 PolarHBondContact O-N 3Å; C254-V256 VanDerWaalsContact O-N 3.12Å; C254-A257 HydrophobicContact CB-CB 4.35Å; C254-A257 PolarHBondContact O-N 3.27Å; C254-A257 VanDerWaalsContact O-N 3.16Å
255	Q	89.8	Confident	86.5	Confident	86 Å²	86	64.2 Å²	64.2	40%	0.402	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-37.5	-171.7	175.4	170.5	-29.3	0	0	112	Y125 N253 Q259	Y125-Q255 HydrophobicContact CD1-CB 4.29Å; Y125-Q255 HydrophobicContact CE1-CB 4.36Å; N253-Q255 PolarHBondContact O-N 2.97Å; N253-Q255 VanDerWaalsContact O-N 3.16Å; Q255-Q259 WeakPolarHBondContact O-CG 3.44Å; Q255-Q259 PolarHBondContact O-NE2 3.21Å
256	V	91.9	Very high	85.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-1.7	-174.8	-52.6	0	0	0	0	113.4	M48 K51 Y56 Y125 C254 N258 Q259	M48-V256 HydrophobicContact CE-CG2 3.6Å; M48-V256 HydrophobicContact SD-CG2 3.77Å; K51-V256 VanDerWaalsContact CD-O 3.28Å; K51-V256 WeakPolarHBondContact CD-O 3.37Å; K51-V256 WeakPolarHBondContact CE-O 3.44Å; K51-V256 PolarHBondContact NZ-O 3.46Å; Y56-V256 HydrophobicContact CE2-CG2 4.25Å; Y56-V256 WeakPolarHBondContact OH-CB 3.48Å; Y125-V256 HydrophobicContact CD1-CG1 3.62Å; Y125-V256 HydrophobicContact CE1-CB 4.37Å; Y125-V256 HydrophobicContact CE1-CG1 3.71Å; Y125-V256 HydrophobicContact CE1-CG2 3.82Å; Y125-V256 HydrophobicContact CG-CG1 4.33Å; Y125-V256 WeakPolarHBondContact O-CG1 3.28Å; C254-V256 PolarHBondContact O-N 3Å; C254-V256 VanDerWaalsContact O-N 3.12Å; V256-N258 VanDerWaalsContact C-N 3.29Å; V256-N258 PolarHBondContact O-N 2.89Å; V256-Q259 PolarHBondContact O-N 3.39Å
257	A	88.2	Confident	85	Confident	9 Å²	9	65.8 Å²	65.8	7%	0.074	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-37.1	-176.4	0	0	0	0	0	112.3	C44 Q47 M48 C254	C44-A257 HydrophobicContact CB-CB 3.58Å; Q47-A257 HydrophobicContact CB-CB 4.42Å; M48-A257 HydrophobicContact CB-CB 4.44Å; C254-A257 HydrophobicContact CB-CB 4.35Å; C254-A257 PolarHBondContact O-N 3.27Å; C254-A257 VanDerWaalsContact O-N 3.16Å
258	N	77.5	Confident	84.2	Confident	120 Å²	120	68.9 Å²	68.9	64%	0.642	36%	0.363	S	S	*	.	S	Bend	trans	-106.8	1.1	-177	-64	-37	0	0	0	114.2	Q47 V256 I260	Q47-N258 PolarHBondContact OE1-OD1 2.84Å; V256-N258 VanDerWaalsContact C-N 3.29Å; V256-N258 PolarHBondContact O-N 2.89Å; N258-I260 PolarHBondContact O-N 3.34Å
259	Q	79.1	Confident	83.3	Confident	69 Å²	69	70.4 Å²	70.4	32%	0.322	37%	0.368	S	S	.	.			trans	-68.9	128.9	177.6	-72.7	-180	-14.7	0	0	110	K51 G126 Q255 V256 I261	K51-Q259 WeakPolarHBondContact CE-O 3.45Å; K51-Q259 PolarHBondContact NZ-O 3.44Å; G126-Q259 PolarHBondContact O-OE1 2.88Å; Q255-Q259 WeakPolarHBondContact O-CG 3.44Å; Q255-Q259 PolarHBondContact O-NE2 3.21Å; V256-Q259 PolarHBondContact O-N 3.39Å; Q259-I261 PolarHBondContact O-N 3.19Å
260	I	68.6	Low	82.3	Confident	151 Å²	151	69.7 Å²	69.7	77%	0.774	37%	0.368	S	S	*	.			trans	-73.1	118.9	167.9	-60.2	173.8	0	0	0	106.3	N258 L262	N258-I260 PolarHBondContact O-N 3.34Å; I260-L262 HydrophobicContact CG2-CD2 4.35Å; I260-L262 PolarHBondContact O-N 3.49Å
261	I	61.4	Low	81.3	Confident	52 Å²	52	72.6 Å²	72.6	27%	0.267	38%	0.378	S	S	.	.			trans	-90.3	106.8	171.3	-51.7	167.6	0	0	0	106.7	T55 Y56 Q259	T55-I261 HydrophobicContact CG2-CB 4.36Å; T55-I261 HydrophobicContact CG2-CD1 3.59Å; Y56-I261 HydrophobicContact CD1-CD1 4.18Å; Y56-I261 HydrophobicContact CE1-CD1 3.49Å; Y56-I261 VanDerWaalsContact CE1-CD1 3.49Å; Y56-I261 HydrophobicContact CE2-CD1 4.24Å; Q259-I261 PolarHBondContact O-N 3.19Å
262	L	48.6	Very low	80.2	Confident	223 Å²	223	73.8 Å²	73.8	100%	1.168	38%	0.384	S	S	*	.			trans	-67.5	0	169.7	-64.7	169.7	0	0	0	110.4	I260	I260-L262 HydrophobicContact CG2-CD2 4.35Å; I260-L262 PolarHBondContact O-N 3.49Å

Retrieved 262 of 262 residues in 162.8 ms (Link to these results)

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