A0A087XWL9_POEFO Loading...

Carboxypeptidase A6

AlphaFold DB , UniProt , Accession A0A087XWL9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 447 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	39.9	Very low	35.2	Very low	227 Å²	227	165.2 Å²	165.2	100%	1.118	86%	0.864	S	S	*	*				0	107.6	0	-72.2	165.1	50.5	0	0	104.4
2	D	33.1	Very low	35	Very low	144 Å²	144	161 Å²	161	77%	0.77	86%	0.859	S	S	*	*			cis	-148.4	166.7	29.4	-94	-40.4	0	0	0	112.3
3	L	37.6	Very low	35.2	Very low	155 Å²	155	158.3 Å²	158.3	81%	0.812	85%	0.852	S	S	*	*			trans	-55.2	149.1	-179.3	-75.1	79.1	0	0	0	113.4
4	E	33.3	Very low	35.2	Very low	177 Å²	177	158.6 Å²	158.6	83%	0.827	85%	0.852	S	S	*	*				-174.6	139.4	110.7	-102.5	-171.6	165.8	0	0	115.7
5	H	35.3	Very low	35.1	Very low	175 Å²	175	158.1 Å²	158.1	81%	0.81	85%	0.848	S	S	*	*			trans	33.8	116.5	151.5	-82.2	-51.9	0	0	0	124.7
6	K	37.9	Very low	35.1	Very low	198 Å²	198	156.1 Å²	156.1	86%	0.861	84%	0.843	S	S	*	*			trans	-58.1	141.1	150.6	-70.2	174.7	174	176.4	0	112.2
7	R	31.7	Very low	35	Very low	252 Å²	252	153.8 Å²	153.8	95%	0.951	84%	0.84	S	S	*	*				-162.1	138.9	128.1	-107.7	170.4	-173.7	-169.6	2.3	111.8
8	A	38.9	Very low	35.1	Very low	94 Å²	94	151.7 Å²	151.7	78%	0.777	83%	0.832	S	S	*	*			trans	-73.6	149.5	-169.1	0	0	0	0	0	113.7
9	F	33.3	Very low	35.1	Very low	214 Å²	214	151.3 Å²	151.3	94%	0.939	83%	0.827	S	S	*	*			trans	-137.9	130.2	158.8	-104.3	-89	0	0	0	110.3
10	G	31.8	Very low	35.2	Very low	72 Å²	72	150.9 Å²	150.9	74%	0.742	82%	0.823	S	S	*	*			trans	-71.3	155.8	-173.9	0	0	0	0	0	113.8	S12	G10-S12 PolarHBondContact O-N 3.43Å
11	A	34.3	Very low	35.1	Very low	109 Å²	109	148.8 Å²	148.8	90%	0.901	82%	0.818	S	S	*	*			trans	-60	125.9	179.5	0	0	0	0	0	111.7
12	S	33	Very low	34.7	Very low	115 Å²	115	140.6 Å²	140.6	80%	0.804	79%	0.792	S	S	*	*			trans	-108.1	123.8	169.4	-155.3	0	0	0	0	108.9	G10 L14	G10-S12 PolarHBondContact O-N 3.43Å; S12-L14 PolarHBondContact O-N 2.73Å
13	V	37.8	Very low	34.9	Very low	126 Å²	126	141.2 Å²	141.2	76%	0.764	80%	0.795	S	S	*	*			trans	-72.1	116.9	178.8	173.1	0	0	0	0	108.8	L15	V13-L15 PolarHBondContact O-N 3.35Å
14	L	34.6	Very low	34.8	Very low	162 Å²	162	138.9 Å²	138.9	85%	0.848	79%	0.787	S	S	*	*			trans	-80.3	104.8	172.1	-91.6	153.7	0	0	0	109.7	S12 T16	S12-L14 PolarHBondContact O-N 2.73Å; L14-T16 PolarHBondContact O-N 3.35Å
15	L	34.1	Very low	35.1	Very low	151 Å²	151	135.9 Å²	135.9	79%	0.791	78%	0.783	S	S	*	*			trans	-71.1	107.2	163.6	-116.1	89.6	0	0	0	108.8	V13 C17	V13-L15 PolarHBondContact O-N 3.35Å; L15-C17 PolarHBondContact O-N 3.44Å
16	T	35.8	Very low	34.8	Very low	126 Å²	126	134.9 Å²	134.9	77%	0.773	78%	0.779	S	S	*	*			trans	-82.1	105	164.6	30.4	0	0	0	0	109.4	L14 V18	L14-T16 PolarHBondContact O-N 3.35Å; T16-V18 PolarHBondContact O-N 3.34Å
17	C	32.3	Very low	34.9	Very low	117 Å²	117	131.3 Å²	131.3	79%	0.791	78%	0.776	S	S	*	*			trans	-67.8	97.5	167.7	-88.2	0	0	0	0	110	L15 I19	L15-C17 PolarHBondContact O-N 3.44Å; C17-I19 PolarHBondContact O-N 2.83Å
18	V	36.8	Very low	35.2	Very low	116 Å²	116	125.6 Å²	125.6	70%	0.703	77%	0.768	S	S	*	*			trans	-77.5	107.8	161.5	178.7	0	0	0	0	107.2	T16 I20	T16-V18 PolarHBondContact O-N 3.34Å; V18-I20 VanDerWaalsContact C-N 3.31Å; V18-I20 HydrophobicContact CG1-CG1 4.13Å; V18-I20 PolarHBondContact O-N 2.98Å
19	I	35.1	Very low	35.5	Very low	144 Å²	144	122.9 Å²	122.9	74%	0.738	75%	0.75	S	S	*	*			trans	-67.4	95.6	167.3	-61.2	175.6	0	0	0	106.7	C17 C21	C17-I19 PolarHBondContact O-N 2.83Å; I19-C21 VanDerWaalsContact C-N 3.33Å; I19-C21 PolarHBondContact O-N 3.34Å; I19-C21 VanDerWaalsContact O-N 3.08Å
20	I	37.7	Very low	36.7	Very low	144 Å²	144	117.3 Å²	117.3	74%	0.738	74%	0.743	S	S	*	*			trans	-73.2	97	164.5	-60.5	172	0	0	0	105.2	V18 G22	V18-I20 VanDerWaalsContact C-N 3.31Å; V18-I20 HydrophobicContact CG1-CG1 4.13Å; V18-I20 PolarHBondContact O-N 2.98Å; I20-G22 PolarHBondContact O-N 3.48Å
21	C	33.4	Very low	38.5	Very low	106 Å²	106	120 Å²	120	72%	0.716	73%	0.731	S	S	*	*			trans	-61.1	89.2	159.2	-76.8	0	0	0	0	107.1	I19 N23	I19-C21 VanDerWaalsContact C-N 3.33Å; I19-C21 PolarHBondContact O-N 3.34Å; I19-C21 VanDerWaalsContact O-N 3.08Å; C21-N23 VanDerWaalsContact C-N 3.34Å; C21-N23 PolarHBondContact O-N 2.91Å
22	G	30.8	Very low	40.6	Very low	56 Å²	56	117.3 Å²	117.3	58%	0.577	70%	0.7	S	S	*	*			trans	-60.4	101.1	166.7	0	0	0	0	0	107.5	I20 V24	I20-G22 PolarHBondContact O-N 3.48Å; G22-V24 PolarHBondContact O-N 3.34Å
23	N	37.5	Very low	43.3	Very low	157 Å²	157	113.2 Å²	113.2	84%	0.84	67%	0.667	S	S	*	*			trans	-60.6	91.1	154.8	-81.4	-27.9	0	0	0	105.8	C21 P25	C21-N23 VanDerWaalsContact C-N 3.34Å; C21-N23 PolarHBondContact O-N 2.91Å; N23-P25 WeakPolarHBondContact O-CD 3.48Å; N23-P25 VanDerWaalsContact O-N 3.08Å
24	V	35	Very low	45.8	Very low	106 Å²	106	114.6 Å²	114.6	64%	0.642	67%	0.67	S	S	*	*			trans	-55.4	113.5	159.8	176.3	0	0	0	0	104.4	G22 H26	G22-V24 PolarHBondContact O-N 3.34Å; V24-H26 VanDerWaalsContact C-N 3.29Å; V24-H26 PolarHBondContact O-N 3.2Å
25	P	39.2	Very low	48.5	Very low	114 Å²	114	109.7 Å²	109.7	74%	0.74	65%	0.645	S	S	*	*			trans	-67.2	102.1	169.3	9.8	2.7	0	0	0	104.8	N23 P27	N23-P25 WeakPolarHBondContact O-CD 3.48Å; N23-P25 VanDerWaalsContact O-N 3.08Å; P25-P27 VanDerWaalsContact O-CD 3.28Å; P25-P27 WeakPolarHBondContact O-CD 3.46Å
26	H	30.1	Very low	51.3	Low	154 Å²	154	108.9 Å²	108.9	71%	0.713	63%	0.631	S	S	*	*			trans	-58.8	120.2	160.3	-73.8	-10.3	0	0	0	105.9	V24 V28	V24-H26 VanDerWaalsContact C-N 3.29Å; V24-H26 PolarHBondContact O-N 3.2Å; H26-V28 PolarHBondContact O-N 2.98Å
27	P	38.8	Very low	54.1	Low	123 Å²	123	103 Å²	103	80%	0.799	60%	0.595	S	S	*	*			trans	-67	98.8	169	27.9	-28.4	0	0	0	104.9	P25 G29	P25-P27 VanDerWaalsContact O-CD 3.28Å; P25-P27 WeakPolarHBondContact O-CD 3.46Å; P27-G29 PolarHBondContact O-N 3.38Å
28	V	39.5	Very low	57.2	Low	132 Å²	132	99.2 Å²	99.2	80%	0.8	57%	0.572	S	S	*	*			trans	-68.1	81.2	160.5	-174.6	0	0	0	0	104.4	H26 A30	H26-V28 PolarHBondContact O-N 2.98Å; V28-A30 VanDerWaalsContact C-N 3.26Å; V28-A30 PolarHBondContact O-N 3.19Å
29	G	45.4	Very low	60	Low	37 Å²	37	94.6 Å²	94.6	38%	0.381	55%	0.548	S	S	.	.			trans	-62.8	95.4	170.9	0	0	0	0	0	106.5	P27 Y31	P27-G29 PolarHBondContact O-N 3.38Å; G29-Y31 WeakPolarHBondContact O-CD2 3.34Å; G29-Y31 WeakPolarHBondContact O-CE2 3.34Å; G29-Y31 PolarHBondContact O-N 3.48Å
30	A	57.6	Low	62.9	Low	96 Å²	96	88.2 Å²	88.2	79%	0.793	52%	0.515	S	S	*	.			trans	-71.3	80.2	168.7	0	0	0	0	0	107.1	V28	V28-A30 VanDerWaalsContact C-N 3.26Å; V28-A30 PolarHBondContact O-N 3.19Å
31	Y	69.8	Low	65.7	Low	129 Å²	129	83 Å²	83	51%	0.506	49%	0.487	S	S	.	.			trans	-67.6	135.9	176.7	-62	-84.2	0	0	0	109.5	G29 Y33 N34 N35	G29-Y31 WeakPolarHBondContact O-CD2 3.34Å; G29-Y31 WeakPolarHBondContact O-CE2 3.34Å; G29-Y31 PolarHBondContact O-N 3.48Å; Y31-Y33 PolarHBondContact O-N 2.72Å; Y31-N34 PolarHBondContact O-N 3.06Å; Y31-N34 VanDerWaalsContact O-N 3.15Å; Y31-N35 VanDerWaalsContact CB-CG 3.43Å; Y31-N35 WeakPolarHBondContact CB-OD1 3.48Å; Y31-N35 WeakPolarHBondContact CD1-OD1 3.26Å; Y31-N35 WeakPolarHBondContact CD2-ND2 3.4Å; Y31-N35 VanDerWaalsContact CG-CG 3.5Å; Y31-N35 VanDerWaalsContact CG-OD1 3.29Å
32	Q	79.2	Confident	68.8	Low	52 Å²	52	77.9 Å²	77.9	24%	0.243	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-57.9	141.3	178.2	-66.9	-159.5	-33.1	0	0	110.8	N34 N35 Q113 I116 T120	Q32-N34 PolarHBondContact O-N 2.67Å; Q32-N34 VanDerWaalsContact O-N 3.08Å; Q32-N35 PolarHBondContact O-N 3.43Å; Q32-Q113 PolarHBondContact O-NE2 2.84Å; Q32-I116 HydrophobicContact CB-CG2 4.44Å; Q32-T120 PolarHBondContact NE2-OG1 3.02Å; Q32-T120 VanDerWaalsContact OE1-CG2 3.23Å; Q32-T120 PolarHBondContact OE1-OG1 3.4Å
33	Y	89.6	Confident	71.9	Confident	29 Å²	29	75.2 Å²	75.2	11%	0.114	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	55.4	25.1	-179	-49.6	-80.7	0	0	0	113.9	Y31 N35 R36 Y37 I116 S247 W248 R252	Y31-Y33 PolarHBondContact O-N 2.72Å; Y33-N35 VanDerWaalsContact C-N 3.27Å; Y33-N35 PolarHBondContact O-N 3.06Å; Y33-R36 WeakPolarHBondContact O-CB 3.38Å; Y33-R36 PolarHBondContact O-N 3.13Å; Y33-Y37 HydrophobicContact CD1-CE2 4.46Å; Y33-Y37 HydrophobicContact CD2-CE2 4.15Å; Y33-Y37 AromaticContact CG-CE2 3.9Å; Y33-Y37 HydrophobicContact CG-CE2 3.9Å; Y33-I116 HydrophobicContact CD2-CG2 3.78Å; Y33-I116 HydrophobicContact CE2-CG2 3.51Å; Y33-S247 WeakPolarHBondContact CE1-O 3.33Å; Y33-S247 PolarHBondContact OH-O 3.08Å; Y33-W248 WeakPolarHBondContact CE1-O 3.31Å; Y33-W248 PolarHBondContact OH-O 2.66Å; Y33-R252 HydrophobicContact CD2-CB 4.46Å; Y33-R252 HydrophobicContact CE1-CB 4.02Å; Y33-R252 HydrophobicContact CE2-CB 3.94Å; Y33-R252 HydrophobicContact CE2-CG 4.43Å; Y33-R252 WeakPolarHBondContact OH-CD 3.35Å
34	N	90.2	Very high	74.8	Confident	155 Å²	155	69 Å²	69	83%	0.829	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	53.1	40.1	-178.3	-59.5	-18.8	0	0	0	113.2	Y31 Q32 R36	Y31-N34 PolarHBondContact O-N 3.06Å; Y31-N34 VanDerWaalsContact O-N 3.15Å; Q32-N34 PolarHBondContact O-N 2.67Å; Q32-N34 VanDerWaalsContact O-N 3.08Å; N34-R36 PolarHBondContact O-N 2.86Å; N34-R36 VanDerWaalsContact O-N 3.15Å
35	N	89.8	Confident	77.7	Confident	59 Å²	59	64 Å²	64	32%	0.316	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	57.7	24.8	-177.3	-79.9	-31.8	0	0	0	114.9	Y31 Q32 Y33 Y37 A38	Y31-N35 VanDerWaalsContact CB-CG 3.43Å; Y31-N35 WeakPolarHBondContact CB-OD1 3.48Å; Y31-N35 WeakPolarHBondContact CD1-OD1 3.26Å; Y31-N35 WeakPolarHBondContact CD2-ND2 3.4Å; Y31-N35 VanDerWaalsContact CG-CG 3.5Å; Y31-N35 VanDerWaalsContact CG-OD1 3.29Å; Q32-N35 PolarHBondContact O-N 3.43Å; Y33-N35 VanDerWaalsContact C-N 3.27Å; Y33-N35 PolarHBondContact O-N 3.06Å; N35-Y37 PolarHBondContact O-N 2.77Å; N35-A38 HydrophobicContact CB-CB 4.28Å; N35-A38 WeakPolarHBondContact O-CB 3.22Å; N35-A38 PolarHBondContact O-N 2.72Å; N35-A38 VanDerWaalsContact O-N 3.14Å
36	R	93.8	Very high	80.3	Confident	134 Å²	134	61 Å²	61	51%	0.506	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-29.2	-178.5	175.1	179.5	-179	90.9	-8.6	113.9	Y33 N34 D251	Y33-R36 WeakPolarHBondContact O-CB 3.38Å; Y33-R36 PolarHBondContact O-N 3.13Å; N34-R36 PolarHBondContact O-N 2.86Å; N34-R36 VanDerWaalsContact O-N 3.15Å; R36-D251 IonicContact CZ-OD2 3.05Å; R36-D251 IonicContact NE-OD2 3.32Å; R36-D251 PolarHBondContact NE-OD2 3.37Å; R36-D251 IonicContact NH2-OD2 3.15Å; R36-D251 PolarHBondContact NH2-OD2 3.5Å
37	Y	95.6	Very high	83.3	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.016	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	12.3	-173.5	-52.5	-74.4	0	0	0	113.5	Y33 N35 G39 D40 L112 Q113 I116 D251 R252 F253	Y33-Y37 HydrophobicContact CD1-CE2 4.46Å; Y33-Y37 HydrophobicContact CD2-CE2 4.15Å; Y33-Y37 AromaticContact CG-CE2 3.9Å; Y33-Y37 HydrophobicContact CG-CE2 3.9Å; N35-Y37 PolarHBondContact O-N 2.77Å; Y37-G39 PolarHBondContact O-N 3.38Å; Y37-G39 VanDerWaalsContact O-N 3.11Å; Y37-D40 WeakPolarHBondContact O-CB 3.34Å; Y37-D40 PolarHBondContact O-N 2.69Å; Y37-L112 HydrophobicContact CD1-CD2 4.32Å; Y37-Q113 PolarHBondContact O-N 3.16Å; Y37-I116 HydrophobicContact CD2-CD1 3.28Å; Y37-I116 HydrophobicContact CE2-CD1 3.76Å; Y37-I116 HydrophobicContact CG-CD1 3.82Å; Y37-D251 VanDerWaalsContact OH-C 3.31Å; Y37-D251 VanDerWaalsContact OH-CA 3.25Å; Y37-D251 WeakPolarHBondContact OH-CA 3.39Å; Y37-D251 PolarHBondContact OH-OD1 2.57Å; Y37-R252 HydrophobicContact CE2-CB 3.98Å; Y37-R252 PolarHBondContact OH-N 3.16Å; Y37-F253 AromaticContact CD1-CD2 3.98Å; Y37-F253 HydrophobicContact CD1-CD2 3.98Å; Y37-F253 AromaticContact CD1-CE2 3.94Å; Y37-F253 HydrophobicContact CD1-CE2 3.94Å; Y37-F253 AromaticContact CE1-CD2 3.47Å; Y37-F253 HydrophobicContact CE1-CD2 3.47Å; Y37-F253 VanDerWaalsContact CE1-CD2 3.47Å; Y37-F253 AromaticContact CE1-CE2 3.87Å; Y37-F253 HydrophobicContact CE1-CE2 3.87Å; Y37-F253 HydrophobicContact CE2-CE2 4.48Å; Y37-F253 HydrophobicContact CG-CE2 4.29Å; Y37-F253 AromaticContact CZ-CD2 3.77Å
38	A	95.8	Very high	85.9	Confident	37 Å²	37	51.1 Å²	51.1	31%	0.306	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	115.8	-173.3	0	0	0	0	0	111.3	N35 D40 R88 Q113	N35-A38 HydrophobicContact CB-CB 4.28Å; N35-A38 WeakPolarHBondContact O-CB 3.22Å; N35-A38 PolarHBondContact O-N 2.72Å; N35-A38 VanDerWaalsContact O-N 3.14Å; A38-D40 VanDerWaalsContact C-N 3.25Å; A38-D40 PolarHBondContact O-N 2.73Å; A38-R88 WeakPolarHBondContact O-CD 3.24Å; A38-Q113 HydrophobicContact CB-CB 4.31Å; A38-Q113 HydrophobicContact CB-CG 4.45Å
39	G	95.2	Very high	88.4	Confident	18 Å²	18	47.4 Å²	47.4	19%	0.186	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	7.3	-176.7	0	0	0	0	0	115.1	Y37 R88 D111	Y37-G39 PolarHBondContact O-N 3.38Å; Y37-G39 VanDerWaalsContact O-N 3.11Å; G39-R88 WeakPolarHBondContact O-CA 3.27Å; G39-R88 WeakPolarHBondContact O-CB 3.32Å; G39-D111 PolarHBondContact N-OD1 2.92Å; G39-D111 VanDerWaalsContact N-OD1 3.13Å
40	D	97.1	Very high	90.8	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.053	27%	0.27	C	S	.	.			trans	-66.5	149.2	165.7	-75.3	6.1	0	0	0	109.9	Y37 A38 H85 V86 K87 R88 L112	Y37-D40 WeakPolarHBondContact O-CB 3.34Å; Y37-D40 PolarHBondContact O-N 2.69Å; A38-D40 VanDerWaalsContact C-N 3.25Å; A38-D40 PolarHBondContact O-N 2.73Å; D40-H85 WeakPolarHBondContact CB-NE2 3.42Å; D40-H85 IonicContact OD2-CD2 3.45Å; D40-H85 IonicContact OD2-CE1 2.69Å; D40-H85 IonicContact OD2-NE2 3.63Å; D40-H85 PolarHBondContact OD2-NE2 3.3Å; D40-V86 WeakPolarHBondContact CA-O 3.46Å; D40-K87 VanDerWaalsContact OD1-CA 3.23Å; D40-K87 WeakPolarHBondContact OD1-CA 3.35Å; D40-R88 PolarHBondContact OD1-N 3.18Å; D40-L112 HydrophobicContact CB-CB 3.96Å; D40-L112 HydrophobicContact CB-CD2 4.21Å; D40-L112 WeakPolarHBondContact O-CB 3.39Å; D40-L112 PolarHBondContact O-N 3.09Å
41	Q	97.3	Very high	92.5	Very high	34 Å²	34	51.1 Å²	51.1	16%	0.159	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.5	-174.6	-67.4	-172.7	-31.8	0	0	112	F43 H85 V86 T91 T107 I109 S110	Q41-F43 HydrophobicContact CB-CD2 4.38Å; Q41-F43 HydrophobicContact CB-CE2 3.66Å; Q41-F43 HydrophobicContact CB-CZ 4.02Å; Q41-F43 VanDerWaalsContact OE1-CZ 3.27Å; Q41-H85 WeakPolarHBondContact O-CA 3.44Å; Q41-V86 PolarHBondContact N-O 2.9Å; Q41-V86 PolarHBondContact O-N 3.43Å; Q41-T91 HydrophobicContact CB-CG2 3.83Å; Q41-T91 HydrophobicContact CG-CG2 3.85Å; Q41-T107 HydrophobicContact CB-CG2 4.46Å; Q41-I109 VanDerWaalsContact CA-O 3.31Å; Q41-I109 WeakPolarHBondContact CA-O 3.46Å; Q41-S110 WeakPolarHBondContact CG-O 3.48Å; Q41-S110 PolarHBondContact NE2-O 3.46Å
42	V	97.3	Very high	93.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.5	171.2	-175.4	0	0	0	0	109.2	W68 V84 H85 L108 I109 L112	V42-W68 HydrophobicContact CG1-CD2 4.3Å; V42-W68 HydrophobicContact CG1-CE3 4.04Å; V42-W68 HydrophobicContact CG1-CZ3 4.2Å; V42-W68 HydrophobicContact CG2-CH2 3.82Å; V42-W68 HydrophobicContact CG2-CZ2 3.83Å; V42-W68 HydrophobicContact CG2-CZ3 4.23Å; V42-V84 WeakPolarHBondContact CA-O 3.34Å; V42-H85 HydrophobicContact CG2-CB 4.15Å; V42-L108 HydrophobicContact CB-CB 4.46Å; V42-L108 HydrophobicContact CG1-CB 4.4Å; V42-L108 HydrophobicContact CG1-CD1 4.12Å; V42-L108 PolarHBondContact O-N 3.44Å; V42-I109 HydrophobicContact CB-CB 3.99Å; V42-I109 HydrophobicContact CB-CD1 4.34Å; V42-I109 HydrophobicContact CB-CG1 4.28Å; V42-I109 HydrophobicContact CG2-CB 4.08Å; V42-I109 HydrophobicContact CG2-CD1 4.02Å; V42-I109 HydrophobicContact CG2-CG1 4.4Å; V42-I109 PolarHBondContact N-O 3.5Å; V42-I109 PolarHBondContact O-N 3.13Å; V42-L112 HydrophobicContact CG2-CD1 3.99Å; V42-L112 HydrophobicContact CG2-CD2 4.47Å
43	F	97	Very high	94.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.1	-179	-66.4	-88.5	0	0	0	110.7	Q41 I45 D83 V84 V86 T91 L94 H95 Y105 R106	Q41-F43 HydrophobicContact CB-CD2 4.38Å; Q41-F43 HydrophobicContact CB-CE2 3.66Å; Q41-F43 HydrophobicContact CB-CZ 4.02Å; Q41-F43 VanDerWaalsContact OE1-CZ 3.27Å; F43-I45 HydrophobicContact CB-CG1 4.31Å; F43-D83 CarbonylContact O-C 3.46Å; F43-D83 VanDerWaalsContact O-CA 3.23Å; F43-D83 WeakPolarHBondContact O-CA 3.28Å; F43-V84 HydrophobicContact CB-CG2 4.04Å; F43-V84 PolarHBondContact N-O 3.28Å; F43-V84 PolarHBondContact O-N 3.14Å; F43-V86 HydrophobicContact CD2-CB 4.24Å; F43-V86 HydrophobicContact CD2-CG2 3.86Å; F43-V86 HydrophobicContact CE2-CB 4.07Å; F43-V86 HydrophobicContact CE2-CG2 4.15Å; F43-T91 HydrophobicContact CE2-CG2 4.33Å; F43-L94 HydrophobicContact CD2-CD2 3.81Å; F43-L94 HydrophobicContact CE2-CD2 4.05Å; F43-L94 HydrophobicContact CG-CD2 4.17Å; F43-H95 AromaticContact CE1-CD2 3.76Å; F43-H95 AromaticContact CE1-CE1 3.48Å; F43-H95 VanDerWaalsContact CE1-CE1 3.48Å; F43-H95 WeakPolarHBondContact CE1-CE1 3.46Å; F43-H95 AromaticContact CE1-ND1 3.99Å; F43-H95 AromaticContact CE1-NE2 3.3Å; F43-H95 VanDerWaalsContact CE1-NE2 3.3Å; F43-H95 WeakPolarHBondContact CE1-NE2 3.42Å; F43-H95 AromaticContact CZ-CD2 3.67Å; F43-H95 AromaticContact CZ-NE2 3.47Å; F43-H95 WeakPolarHBondContact CZ-NE2 3.38Å; F43-Y105 AromaticContact CD1-CD2 3.97Å; F43-Y105 HydrophobicContact CD1-CD2 3.97Å; F43-Y105 HydrophobicContact CD1-CE2 4.4Å; F43-Y105 HydrophobicContact CE1-CD2 4.38Å; F43-Y105 HydrophobicContact CE1-CE2 4.35Å; F43-R106 WeakPolarHBondContact CA-O 3.39Å
44	R	96.9	Very high	94.8	Very high	27 Å²	27	48.7 Å²	48.7	10%	0.102	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.2	161.2	175.4	160.5	-63.9	170.6	5	109.8	V82 D83 Y105 R106 L108 T403	R44-V82 CarbonylContact C-O 3.52Å; R44-V82 WeakPolarHBondContact CA-O 3.25Å; R44-D83 WeakPolarHBondContact CB-OD1 3.47Å; R44-D83 WeakPolarHBondContact CG-OD1 3.12Å; R44-D83 IonicContact CZ-OD1 3.86Å; R44-D83 IonicContact CZ-OD2 3.99Å; R44-D83 IonicContact NE-OD1 2.67Å; R44-D83 PolarHBondContact NE-OD1 3Å; R44-D83 IonicContact NE-OD2 2.69Å; R44-D83 IonicContact NH2-OD1 3.43Å; R44-D83 PolarHBondContact NH2-OD1 3.13Å; R44-D83 IonicContact NH2-OD2 2.86Å; R44-D83 PolarHBondContact NH2-OD2 3.45Å; R44-Y105 CarbonylContact O-C 3.57Å; R44-Y105 WeakPolarHBondContact O-CA 3.34Å; R44-Y105 WeakPolarHBondContact O-CB 3.28Å; R44-R106 HydrophobicContact CB-CG 3.97Å; R44-R106 PolarHBondContact N-O 2.97Å; R44-R106 PolarHBondContact O-N 3.25Å; R44-L108 HydrophobicContact CB-CD1 3.68Å; R44-L108 HydrophobicContact CB-CD2 4Å; R44-L108 HydrophobicContact CB-CG 3.75Å; R44-T403 VanDerWaalsContact CZ-O 3.28Å; R44-T403 PolarHBondContact NH1-O 3.21Å; R44-T403 PolarHBondContact NH2-O 3.37Å
45	I	96.4	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.8	-178.6	-52.7	171.5	0	0	0	107.9	F43 L47 L56 V82 V84 L98 I103	F43-I45 HydrophobicContact CB-CG1 4.31Å; I45-L47 HydrophobicContact CG2-CD2 4.18Å; I45-L56 HydrophobicContact CB-CD2 4.43Å; I45-L56 HydrophobicContact CD1-CD1 3.65Å; I45-L56 HydrophobicContact CD1-CD2 4.3Å; I45-L56 HydrophobicContact CG2-CD1 4.29Å; I45-L56 HydrophobicContact CG2-CD2 3.97Å; I45-V82 HydrophobicContact CB-CB 4.29Å; I45-V82 PolarHBondContact N-O 2.85Å; I45-V82 PolarHBondContact O-N 3.37Å; I45-V84 HydrophobicContact CD1-CG2 3.98Å; I45-L98 HydrophobicContact CD1-CD1 3.97Å; I45-L98 HydrophobicContact CD1-CD2 4.2Å; I45-L98 HydrophobicContact CG1-CD1 4.22Å; I45-L98 HydrophobicContact CG2-CD2 4.39Å; I45-I103 HydrophobicContact CG2-CG2 3.46Å; I45-I103 VanDerWaalsContact CG2-CG2 3.46Å
46	T	94.2	Very high	95.3	Very high	50 Å²	50	39.4 Å²	39.4	31%	0.307	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.5	-179	-54.2	0	0	0	0	109.4	K104	T46-K104 PolarHBondContact N-O 2.86Å
47	L	93.9	Very high	95.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.201	C	C	.	.			trans	-113.9	129.8	-173.8	-55.7	169.4	0	0	0	110.2	I45 E52 V53 L56 I76 N79 V82 I103	I45-L47 HydrophobicContact CG2-CD2 4.18Å; L47-E52 WeakPolarHBondContact CA-OE2 3.29Å; L47-E52 HydrophobicContact CD2-CB 3.85Å; L47-V53 HydrophobicContact CB-CG2 4.22Å; L47-V53 HydrophobicContact CD1-CG2 3.87Å; L47-L56 HydrophobicContact CD1-CD2 3.86Å; L47-L56 HydrophobicContact CD2-CB 4.21Å; L47-L56 HydrophobicContact CD2-CD2 4Å; L47-L56 HydrophobicContact CG-CD2 4.34Å; L47-I76 HydrophobicContact CD1-CG2 3.23Å; L47-N79 WeakPolarHBondContact O-CA 3.43Å; L47-N79 PolarHBondContact O-N 2.9Å; L47-V82 HydrophobicContact CD1-CG2 4.03Å; L47-I103 HydrophobicContact CD2-CG2 3.99Å
48	T	91.9	Very high	95.4	Very high	70 Å²	70	42.9 Å²	42.9	43%	0.429	23%	0.232	S	C	.	.			trans	-107.3	-19.2	-174.4	66.7	0	0	0	0	113.5	E52 R78	T48-E52 PolarHBondContact N-OE2 3.27Å; T48-E52 PolarHBondContact OG1-OE1 3.45Å; T48-E52 PolarHBondContact OG1-OE2 3.46Å; T48-R78 PolarHBondContact O-NE 2.94Å
49	N	93.1	Very high	95.3	Very high	53 Å²	53	41.6 Å²	41.6	28%	0.283	22%	0.22	S	C	.	.	S	Bend	trans	-150.4	166.9	-176.3	62	71.2	0	0	0	111.8	T51 E52 V53	N49-T51 VanDerWaalsContact C-N 3.32Å; N49-T51 PolarHBondContact O-N 3.44Å; N49-T51 VanDerWaalsContact OD1-CB 3.3Å; N49-T51 WeakPolarHBondContact OD1-CB 3.45Å; N49-T51 PolarHBondContact OD1-N 2.87Å; N49-T51 VanDerWaalsContact OD1-N 3.14Å; N49-E52 VanDerWaalsContact ND2-CD 3.28Å; N49-E52 PolarHBondContact ND2-OE1 3.09Å; N49-E52 PolarHBondContact O-N 3.08Å; N49-E52 WeakPolarHBondContact OD1-CG 3.48Å; N49-E52 PolarHBondContact OD1-N 3.47Å; N49-V53 WeakPolarHBondContact O-CG2 3.38Å; N49-V53 PolarHBondContact O-N 3.03Å
50	D	94.3	Very high	95.2	Very high	98 Å²	98	41.1 Å²	41.1	52%	0.524	21%	0.213	S	C	.	.	H	α-helix	trans	-72.1	-24.9	-175.4	-62.2	-47.5	0	0	0	113.3	V53 Q54	D50-V53 WeakPolarHBondContact O-CB 3.49Å; D50-V53 PolarHBondContact O-N 3.27Å; D50-Q54 WeakPolarHBondContact O-CG 3.35Å; D50-Q54 PolarHBondContact O-N 2.88Å
51	T	94.9	Very high	94.9	Very high	113 Å²	113	43.9 Å²	43.9	69%	0.693	24%	0.244	S	C	*	.	H	α-helix	trans	-63.4	-45.9	174.1	-52.6	0	0	0	0	110.7	N49 V53 Q54 A55	N49-T51 VanDerWaalsContact C-N 3.32Å; N49-T51 PolarHBondContact O-N 3.44Å; N49-T51 VanDerWaalsContact OD1-CB 3.3Å; N49-T51 WeakPolarHBondContact OD1-CB 3.45Å; N49-T51 PolarHBondContact OD1-N 2.87Å; N49-T51 VanDerWaalsContact OD1-N 3.14Å; T51-V53 VanDerWaalsContact C-N 3.3Å; T51-V53 PolarHBondContact O-N 3.29Å; T51-Q54 PolarHBondContact O-N 3.04Å; T51-A55 WeakPolarHBondContact O-CB 3.37Å; T51-A55 PolarHBondContact O-N 3.49Å
52	E	95.4	Very high	94.6	Very high	33 Å²	33	48 Å²	48	15%	0.154	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-37.3	174.2	-69.4	172.8	-168.7	0	0	111.8	L47 T48 N49 A55 L56 I103	L47-E52 WeakPolarHBondContact CA-OE2 3.29Å; L47-E52 HydrophobicContact CD2-CB 3.85Å; T48-E52 PolarHBondContact N-OE2 3.27Å; T48-E52 PolarHBondContact OG1-OE1 3.45Å; T48-E52 PolarHBondContact OG1-OE2 3.46Å; N49-E52 VanDerWaalsContact ND2-CD 3.28Å; N49-E52 PolarHBondContact ND2-OE1 3.09Å; N49-E52 PolarHBondContact O-N 3.08Å; N49-E52 WeakPolarHBondContact OD1-CG 3.48Å; N49-E52 PolarHBondContact OD1-N 3.47Å; E52-A55 PolarHBondContact O-N 3.41Å; E52-L56 WeakPolarHBondContact O-CB 3.42Å; E52-L56 PolarHBondContact O-N 2.7Å; E52-I103 HydrophobicContact CB-CG1 4.3Å; E52-I103 HydrophobicContact CG-CG1 4.14Å
53	V	95.5	Very high	94.3	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-48.9	175.6	171.2	0	0	0	0	110.8	L47 N49 D50 T51 L56 K57 I76	L47-V53 HydrophobicContact CB-CG2 4.22Å; L47-V53 HydrophobicContact CD1-CG2 3.87Å; N49-V53 WeakPolarHBondContact O-CG2 3.38Å; N49-V53 PolarHBondContact O-N 3.03Å; D50-V53 WeakPolarHBondContact O-CB 3.49Å; D50-V53 PolarHBondContact O-N 3.27Å; T51-V53 VanDerWaalsContact C-N 3.3Å; T51-V53 PolarHBondContact O-N 3.29Å; V53-L56 PolarHBondContact O-N 2.87Å; V53-K57 HydrophobicContact CG1-CD 4.19Å; V53-K57 WeakPolarHBondContact O-CG 3.3Å; V53-K57 PolarHBondContact O-N 2.89Å; V53-I76 HydrophobicContact CG1-CG2 4.08Å
54	Q	95.3	Very high	93.9	Very high	122 Å²	122	56.9 Å²	56.9	57%	0.57	31%	0.305	S	S	*	.	H	α-helix	trans	-66	-41.9	179.3	-64.1	-56.7	-29.3	0	0	111.8	D50 T51 K57 K58	D50-Q54 WeakPolarHBondContact O-CG 3.35Å; D50-Q54 PolarHBondContact O-N 2.88Å; T51-Q54 PolarHBondContact O-N 3.04Å; Q54-K57 PolarHBondContact O-N 3.42Å; Q54-K58 PolarHBondContact O-N 2.74Å
55	A	95.2	Very high	93.7	Very high	19 Å²	19	56.6 Å²	56.6	16%	0.157	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-47.1	175.9	0	0	0	0	0	111.4	T51 E52 K58 I59 E101 I103	T51-A55 WeakPolarHBondContact O-CB 3.37Å; T51-A55 PolarHBondContact O-N 3.49Å; E52-A55 PolarHBondContact O-N 3.41Å; A55-K58 WeakPolarHBondContact O-CB 3.33Å; A55-K58 PolarHBondContact O-N 3.18Å; A55-I59 VanDerWaalsContact O-CG1 3.3Å; A55-I59 WeakPolarHBondContact O-CG1 3.38Å; A55-I59 PolarHBondContact O-N 3.27Å; A55-E101 HydrophobicContact CB-CG 4.28Å; A55-I103 HydrophobicContact CB-CD1 4.15Å
56	L	96.1	Very high	93.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-45.8	177.9	-177.4	65.2	0	0	0	111.8	I45 L47 E52 V53 K58 I59 L60 I76 V82 L98 I103	I45-L56 HydrophobicContact CB-CD2 4.43Å; I45-L56 HydrophobicContact CD1-CD1 3.65Å; I45-L56 HydrophobicContact CD1-CD2 4.3Å; I45-L56 HydrophobicContact CG2-CD1 4.29Å; I45-L56 HydrophobicContact CG2-CD2 3.97Å; L47-L56 HydrophobicContact CD1-CD2 3.86Å; L47-L56 HydrophobicContact CD2-CB 4.21Å; L47-L56 HydrophobicContact CD2-CD2 4Å; L47-L56 HydrophobicContact CG-CD2 4.34Å; E52-L56 WeakPolarHBondContact O-CB 3.42Å; E52-L56 PolarHBondContact O-N 2.7Å; V53-L56 PolarHBondContact O-N 2.87Å; L56-K58 PolarHBondContact O-N 2.9Å; L56-I59 PolarHBondContact O-N 3.4Å; L56-I59 VanDerWaalsContact O-N 3.14Å; L56-L60 HydrophobicContact CD1-CD1 3.87Å; L56-L60 HydrophobicContact CD1-CD2 4.24Å; L56-L60 HydrophobicContact CD1-CG 3.8Å; L56-L60 HydrophobicContact CD2-CD1 4.16Å; L56-L60 HydrophobicContact CG-CD1 3.77Å; L56-L60 HydrophobicContact CG-CG 4.06Å; L56-L60 WeakPolarHBondContact O-CG 3.34Å; L56-L60 PolarHBondContact O-N 2.74Å; L56-I76 HydrophobicContact CD2-CD1 4.18Å; L56-I76 HydrophobicContact CD2-CG2 4.47Å; L56-V82 HydrophobicContact CD2-CB 4.23Å; L56-V82 HydrophobicContact CD2-CG1 4.22Å; L56-V82 HydrophobicContact CD2-CG2 4.11Å; L56-L98 HydrophobicContact CD1-CD2 3.81Å; L56-I103 HydrophobicContact CB-CD1 4.34Å
57	K	95.3	Very high	93.6	Very high	57 Å²	57	56.5 Å²	56.5	25%	0.248	30%	0.303	C	S	.	.	H	α-helix	trans	-56.3	-41.5	176.7	-75.8	178.9	-176.2	-171.4	0	111.2	V53 Q54 G61 A73 S74 I76	V53-K57 HydrophobicContact CG1-CD 4.19Å; V53-K57 WeakPolarHBondContact O-CG 3.3Å; V53-K57 PolarHBondContact O-N 2.89Å; Q54-K57 PolarHBondContact O-N 3.42Å; K57-G61 PolarHBondContact O-N 3.02Å; K57-A73 WeakPolarHBondContact CE-O 3.48Å; K57-S74 PolarHBondContact NZ-O 2.82Å; K57-I76 VanDerWaalsContact CE-O 3.29Å; K57-I76 WeakPolarHBondContact CE-O 3.26Å; K57-I76 HydrophobicContact CG-CD1 4.38Å; K57-I76 PolarHBondContact NZ-O 3.26Å; K57-I76 VanDerWaalsContact NZ-O 3.11Å
58	K	94.6	Very high	93.7	Very high	155 Å²	155	57 Å²	57	67%	0.674	31%	0.305	S	S	*	.	H	α-helix	trans	-64.8	-46.4	175.1	-172.5	179.3	-179.7	-178.8	0	112	Q54 A55 L56 G61 L62	Q54-K58 PolarHBondContact O-N 2.74Å; A55-K58 WeakPolarHBondContact O-CB 3.33Å; A55-K58 PolarHBondContact O-N 3.18Å; L56-K58 PolarHBondContact O-N 2.9Å; K58-G61 PolarHBondContact O-N 3.5Å; K58-L62 WeakPolarHBondContact O-CG 3.5Å; K58-L62 PolarHBondContact O-N 3.03Å
59	I	94.4	Very high	93.7	Very high	10 Å²	10	55.1 Å²	55.1	5%	0.051	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-50.4	178.5	-68.5	164.5	0	0	0	110.8	A55 L56 G61 L62 L94 R97 L98 E101 I103	A55-I59 VanDerWaalsContact O-CG1 3.3Å; A55-I59 WeakPolarHBondContact O-CG1 3.38Å; A55-I59 PolarHBondContact O-N 3.27Å; L56-I59 PolarHBondContact O-N 3.4Å; L56-I59 VanDerWaalsContact O-N 3.14Å; I59-G61 VanDerWaalsContact C-N 3.26Å; I59-G61 PolarHBondContact O-N 3.35Å; I59-L62 PolarHBondContact O-N 3.18Å; I59-L62 VanDerWaalsContact O-N 3.16Å; I59-L94 HydrophobicContact CG2-CD1 3.55Å; I59-R97 HydrophobicContact CD1-CB 3.9Å; I59-R97 HydrophobicContact CG1-CB 4.02Å; I59-R97 HydrophobicContact CG2-CB 4.02Å; I59-L98 HydrophobicContact CD1-CD2 4.34Å; I59-E101 HydrophobicContact CD1-CG 3.92Å; I59-I103 HydrophobicContact CD1-CD1 4.35Å
60	L	93.8	Very high	93.6	Very high	8 Å²	8	53 Å²	53	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-71.1	-21.3	-178	-61.3	-178.7	0	0	0	112.7	L56 L62 I63 V65 F67 I76 V84 L94	L56-L60 HydrophobicContact CD1-CD1 3.87Å; L56-L60 HydrophobicContact CD1-CD2 4.24Å; L56-L60 HydrophobicContact CD1-CG 3.8Å; L56-L60 HydrophobicContact CD2-CD1 4.16Å; L56-L60 HydrophobicContact CG-CD1 3.77Å; L56-L60 HydrophobicContact CG-CG 4.06Å; L56-L60 WeakPolarHBondContact O-CG 3.34Å; L56-L60 PolarHBondContact O-N 2.74Å; L60-L62 VanDerWaalsContact C-N 3.25Å; L60-L62 PolarHBondContact O-N 3.4Å; L60-I63 HydrophobicContact CD2-CD1 4.5Å; L60-V65 HydrophobicContact CB-CG2 4.4Å; L60-V65 HydrophobicContact CD2-CG1 4.08Å; L60-V65 HydrophobicContact CD2-CG2 4.39Å; L60-F67 HydrophobicContact CB-CZ 4.25Å; L60-F67 HydrophobicContact CD1-CE1 3.67Å; L60-F67 HydrophobicContact CD1-CZ 3.78Å; L60-I76 HydrophobicContact CD1-CD1 4.19Å; L60-V84 HydrophobicContact CD1-CG1 4.19Å; L60-L94 HydrophobicContact CD2-CD1 4.14Å
61	G	91.1	Very high	93.3	Very high	67 Å²	67	48.7 Å²	48.7	69%	0.691	26%	0.257	S	S	*	.	H	α-helix	trans	-72.1	-16.4	172	0	0	0	0	0	114.2	K57 K58 I59	K57-G61 PolarHBondContact O-N 3.02Å; K58-G61 PolarHBondContact O-N 3.5Å; I59-G61 VanDerWaalsContact C-N 3.26Å; I59-G61 PolarHBondContact O-N 3.35Å
62	L	90.7	Very high	93.1	Very high	120 Å²	120	44 Å²	44	63%	0.628	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-12.3	-179.2	-64.4	172.1	0	0	0	113.6	K58 I59 L60	K58-L62 WeakPolarHBondContact O-CG 3.5Å; K58-L62 PolarHBondContact O-N 3.03Å; I59-L62 PolarHBondContact O-N 3.18Å; I59-L62 VanDerWaalsContact O-N 3.16Å; L60-L62 VanDerWaalsContact C-N 3.25Å; L60-L62 PolarHBondContact O-N 3.4Å
63	I	90.8	Very high	92.8	Very high	20 Å²	20	44 Å²	44	10%	0.103	23%	0.234	C	C	.	.	S	Bend	trans	-131.6	150.6	-178.1	53.4	163.4	0	0	0	110	L60 V65 V86 D90 L94	L60-I63 HydrophobicContact CD2-CD1 4.5Å; I63-V65 HydrophobicContact CD1-CG1 3.64Å; I63-V65 HydrophobicContact CG1-CG1 3.81Å; I63-V65 PolarHBondContact O-N 2.98Å; I63-V86 HydrophobicContact CD1-CG1 4.29Å; I63-D90 HydrophobicContact CB-CB 4.39Å; I63-D90 HydrophobicContact CD1-CB 4.41Å; I63-D90 HydrophobicContact CG2-CB 4.25Å; I63-L94 HydrophobicContact CD1-CB 4.17Å; I63-L94 HydrophobicContact CD1-CD1 4.33Å
64	K	88.1	Confident	92.5	Very high	167 Å²	167	47.8 Å²	47.8	73%	0.726	26%	0.261	S	S	*	.			trans	-81.6	115.9	176	-175.2	170.9	-178.7	168.3	0	109.6
65	V	92.8	Very high	92.3	Very high	22 Å²	22	42.8 Å²	42.8	13%	0.133	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.6	179.1	-58.7	0	0	0	0	111.6	L60 I63 F67 V86	L60-V65 HydrophobicContact CB-CG2 4.4Å; L60-V65 HydrophobicContact CD2-CG1 4.08Å; L60-V65 HydrophobicContact CD2-CG2 4.39Å; I63-V65 HydrophobicContact CD1-CG1 3.64Å; I63-V65 HydrophobicContact CG1-CG1 3.81Å; I63-V65 PolarHBondContact O-N 2.98Å; V65-F67 HydrophobicContact CG2-CD2 3.95Å; V65-F67 HydrophobicContact CG2-CE1 4.37Å; V65-F67 HydrophobicContact CG2-CE2 3.4Å; V65-F67 VanDerWaalsContact CG2-CE2 3.4Å; V65-F67 HydrophobicContact CG2-CZ 3.64Å; V65-V86 HydrophobicContact CG1-CG2 3.92Å
66	D	94.5	Very high	92.1	Very high	21 Å²	21	42.1 Å²	42.1	11%	0.112	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.2	167.1	169.4	30	0	0	0	108.9	W68 V84 H85 R199	D66-W68 PolarHBondContact OD2-NE1 3.07Å; D66-V84 WeakPolarHBondContact O-CA 3Å; D66-H85 HydrophobicContact CB-CB 4.01Å; D66-H85 PolarHBondContact N-O 3.45Å; D66-H85 PolarHBondContact O-N 2.8Å; D66-H85 IonicContact OD2-ND1 3.25Å; D66-R199 VanDerWaalsContact CG-NH1 3.35Å; D66-R199 IonicContact OD1-CZ 3.69Å; D66-R199 IonicContact OD1-NH1 3.44Å; D66-R199 PolarHBondContact OD1-NH1 3.38Å; D66-R199 IonicContact OD1-NH2 2.76Å; D66-R199 IonicContact OD2-NH1 3.89Å; D66-R199 PolarHBondContact OD2-NH1 3.24Å; D66-R199 VanDerWaalsContact OD2-NH1 3.15Å
67	F	95.2	Very high	91.8	Very high	26 Å²	26	46.9 Å²	46.9	11%	0.114	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	117.1	-179.3	-78.6	-81.7	0	0	0	110.4	L60 V65 P70 A73 I76 V84 R199	L60-F67 HydrophobicContact CB-CZ 4.25Å; L60-F67 HydrophobicContact CD1-CE1 3.67Å; L60-F67 HydrophobicContact CD1-CZ 3.78Å; V65-F67 HydrophobicContact CG2-CD2 3.95Å; V65-F67 HydrophobicContact CG2-CE1 4.37Å; V65-F67 HydrophobicContact CG2-CE2 3.4Å; V65-F67 VanDerWaalsContact CG2-CE2 3.4Å; V65-F67 HydrophobicContact CG2-CZ 3.64Å; F67-P70 WeakPolarHBondContact CB-O 3.21Å; F67-A73 HydrophobicContact CE1-CB 4.33Å; F67-A73 HydrophobicContact CE2-CB 4.18Å; F67-A73 HydrophobicContact CZ-CB 3.68Å; F67-I76 HydrophobicContact CE1-CD1 4.11Å; F67-V84 HydrophobicContact CD1-CG1 3.68Å; F67-V84 HydrophobicContact CE1-CG1 3.76Å; F67-V84 HydrophobicContact CG-CG1 4.42Å; F67-R199 PolarHBondContact O-NH2 3.43Å
68	W	95.3	Very high	91.5	Very high	13 Å²	13	50.6 Å²	50.6	5%	0.049	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-45.8	175.4	-74.5	24	0	0	0	110.9	V42 D66 D83 H85 I109 L112 F253 Y327 F408	V42-W68 HydrophobicContact CG1-CD2 4.3Å; V42-W68 HydrophobicContact CG1-CE3 4.04Å; V42-W68 HydrophobicContact CG1-CZ3 4.2Å; V42-W68 HydrophobicContact CG2-CH2 3.82Å; V42-W68 HydrophobicContact CG2-CZ2 3.83Å; V42-W68 HydrophobicContact CG2-CZ3 4.23Å; D66-W68 PolarHBondContact OD2-NE1 3.07Å; W68-D83 HydrophobicContact CB-CB 3.92Å; W68-D83 PolarHBondContact N-O 3.19Å; W68-H85 HydrophobicContact CZ2-CB 4.44Å; W68-I109 HydrophobicContact CH2-CD1 4.09Å; W68-I109 HydrophobicContact CZ3-CD1 4.3Å; W68-L112 HydrophobicContact CH2-CD1 4.3Å; W68-L112 HydrophobicContact CZ2-CD1 4.4Å; W68-F253 AromaticContact CH2-CE1 3.83Å; W68-F253 HydrophobicContact CH2-CE1 3.83Å; W68-F253 HydrophobicContact CH2-CZ 4.41Å; W68-F253 AromaticContact CZ2-CD1 3.67Å; W68-F253 HydrophobicContact CZ2-CD1 3.67Å; W68-F253 AromaticContact CZ2-CE1 3.29Å; W68-F253 HydrophobicContact CZ2-CE1 3.29Å; W68-F253 AromaticContact CZ2-CZ 3.92Å; W68-F253 HydrophobicContact CZ2-CZ 3.92Å; W68-Y327 HydrophobicContact CB-CE1 4.22Å; W68-Y327 WeakPolarHBondContact CB-OH 3.43Å; W68-Y327 HydrophobicContact CD2-CE1 4.47Å; W68-Y327 AromaticContact CE3-CE1 3.82Å; W68-Y327 HydrophobicContact CE3-CE1 3.82Å; W68-F408 HydrophobicContact CB-CE2 3.8Å; W68-F408 HydrophobicContact CB-CZ 4.36Å; W68-F408 AromaticContact CD1-CE2 3.67Å; W68-F408 AromaticContact CD2-CD2 3.54Å; W68-F408 HydrophobicContact CD2-CD2 3.54Å; W68-F408 AromaticContact CD2-CE2 3.52Å; W68-F408 HydrophobicContact CD2-CE2 3.52Å; W68-F408 AromaticContact CE2-CD2 3.59Å; W68-F408 AromaticContact CE2-CE2 3.88Å; W68-F408 AromaticContact CE3-CD2 3.86Å; W68-F408 HydrophobicContact CE3-CD2 3.86Å; W68-F408 HydrophobicContact CE3-CE2 4.07Å; W68-F408 AromaticContact CG-CD2 3.95Å; W68-F408 HydrophobicContact CG-CD2 3.95Å; W68-F408 AromaticContact CG-CE2 3.4Å; W68-F408 HydrophobicContact CG-CE2 3.4Å; W68-F408 HydrophobicContact CG-CZ 4.39Å; W68-F408 HydrophobicContact CH2-CD2 4.28Å; W68-F408 AromaticContact CZ2-CD2 4Å; W68-F408 HydrophobicContact CZ2-CD2 4Å; W68-F408 HydrophobicContact CZ3-CD2 4.22Å; W68-F408 AromaticContact NE1-CD2 3.94Å; W68-F408 AromaticContact NE1-CE2 3.91Å
69	Q	91.8	Very high	91.1	Very high	30 Å²	30	48.9 Å²	48.9	14%	0.14	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	128.6	175.8	-172.8	173.8	5.1	0	0	111.2	V82 D83	Q69-V82 CarbonylContact O-C 3.46Å; Q69-V82 VanDerWaalsContact O-CA 3.24Å; Q69-V82 WeakPolarHBondContact O-CA 3.48Å; Q69-D83 HydrophobicContact CB-CB 4.33Å; Q69-D83 PolarHBondContact N-O 3.43Å; Q69-D83 PolarHBondContact O-N 3.48Å
70	P	91.5	Very high	90.4	Very high	7 Å²	7	48.9 Å²	48.9	5%	0.045	27%	0.267	C	S	.	.	S	Bend	cis	-62.8	175.3	-16.7	33	-36.8	0	0	0	110.5	F67 S72 L75 I76 Y377	F67-P70 WeakPolarHBondContact CB-O 3.21Å; P70-S72 VanDerWaalsContact C-N 3.29Å; P70-S72 PolarHBondContact O-N 3.22Å; P70-L75 HydrophobicContact CB-CB 3.83Å; P70-L75 HydrophobicContact CB-CD1 4.47Å; P70-L75 HydrophobicContact CG-CB 3.98Å; P70-I76 HydrophobicContact CG-CG1 4.08Å; P70-Y377 HydrophobicContact CB-CD1 3.66Å; P70-Y377 HydrophobicContact CB-CE1 3.72Å
71	N	87	Confident	90.1	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.043	28%	0.281	C	S	.	.	S	Bend	trans	-82.9	4.5	-174.2	70	-11.3	0	0	0	115.6	L75 R273 T292 Y377	N71-L75 VanDerWaalsContact OD1-CD1 3.23Å; N71-L75 WeakPolarHBondContact OD1-CD1 3.36Å; N71-R273 PolarHBondContact ND2-NH2 3.37Å; N71-T292 HydrophobicContact CB-CG2 4.13Å; N71-T292 WeakPolarHBondContact ND2-CG2 3.4Å; N71-T292 WeakPolarHBondContact O-CG2 3.25Å; N71-Y377 PolarHBondContact ND2-OH 2.83Å; N71-Y377 PolarHBondContact OD1-OH 2.86Å
72	S	90.3	Very high	90.3	Very high	15 Å²	15	48 Å²	48	11%	0.105	25%	0.248	C	C	.	.	S	Bend	trans	-155.5	156.8	172.1	70.7	0	0	0	0	111.7	P70 S74 L75	P70-S72 VanDerWaalsContact C-N 3.29Å; P70-S72 PolarHBondContact O-N 3.22Å; S72-S74 PolarHBondContact O-N 2.94Å; S72-S74 PolarHBondContact OG-OG 2.92Å; S72-L75 PolarHBondContact O-N 3.08Å; S72-L75 WeakPolarHBondContact OG-CG 3.47Å
73	A	90	Very high	90.6	Very high	32 Å²	32	42.3 Å²	42.3	26%	0.264	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-60.2	-33.4	175	0	0	0	0	0	112.9	K57 F67 L75 I76	K57-A73 WeakPolarHBondContact CE-O 3.48Å; F67-A73 HydrophobicContact CE1-CB 4.33Å; F67-A73 HydrophobicContact CE2-CB 4.18Å; F67-A73 HydrophobicContact CZ-CB 3.68Å; A73-L75 PolarHBondContact O-N 2.79Å; A73-I76 HydrophobicContact CB-CD1 4.44Å; A73-I76 WeakPolarHBondContact O-CB 3.36Å; A73-I76 WeakPolarHBondContact O-CG1 3.4Å; A73-I76 PolarHBondContact O-N 3.02Å
74	S	89.3	Confident	90.9	Very high	85 Å²	85	41.4 Å²	41.4	59%	0.594	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-61	-30	-178	53.6	0	0	0	0	113.1	K57 S72	K57-S74 PolarHBondContact NZ-O 2.82Å; S72-S74 PolarHBondContact O-N 2.94Å; S72-S74 PolarHBondContact OG-OG 2.92Å
75	L	90.3	Very high	91.3	Very high	17 Å²	17	34.1 Å²	34.1	9%	0.089	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-87.2	-2.1	-175.9	-63.6	171.2	0	0	0	114.1	P70 N71 S72 A73 H77 Y377	P70-L75 HydrophobicContact CB-CB 3.83Å; P70-L75 HydrophobicContact CB-CD1 4.47Å; P70-L75 HydrophobicContact CG-CB 3.98Å; N71-L75 VanDerWaalsContact OD1-CD1 3.23Å; N71-L75 WeakPolarHBondContact OD1-CD1 3.36Å; S72-L75 PolarHBondContact O-N 3.08Å; S72-L75 WeakPolarHBondContact OG-CG 3.47Å; A73-L75 PolarHBondContact O-N 2.79Å; L75-H77 PolarHBondContact O-N 3.2Å; L75-H77 PolarHBondContact O-ND1 3.38Å; L75-Y377 HydrophobicContact CD1-CD1 4.42Å; L75-Y377 HydrophobicContact CD1-CD2 3.56Å; L75-Y377 HydrophobicContact CD1-CE2 3.85Å; L75-Y377 HydrophobicContact CD1-CG 3.87Å
76	I	92.2	Very high	91.5	Very high	4 Å²	4	33 Å²	33	2%	0.021	18%	0.176	C	C	.	.			trans	-67.2	126.4	174.5	-59.3	172.5	0	0	0	109.1	L47 V53 L56 K57 L60 F67 P70 A73 V82	L47-I76 HydrophobicContact CD1-CG2 3.23Å; V53-I76 HydrophobicContact CG1-CG2 4.08Å; L56-I76 HydrophobicContact CD2-CD1 4.18Å; L56-I76 HydrophobicContact CD2-CG2 4.47Å; K57-I76 VanDerWaalsContact CE-O 3.29Å; K57-I76 WeakPolarHBondContact CE-O 3.26Å; K57-I76 HydrophobicContact CG-CD1 4.38Å; K57-I76 PolarHBondContact NZ-O 3.26Å; K57-I76 VanDerWaalsContact NZ-O 3.11Å; L60-I76 HydrophobicContact CD1-CD1 4.19Å; F67-I76 HydrophobicContact CE1-CD1 4.11Å; P70-I76 HydrophobicContact CG-CG1 4.08Å; A73-I76 HydrophobicContact CB-CD1 4.44Å; A73-I76 WeakPolarHBondContact O-CB 3.36Å; A73-I76 WeakPolarHBondContact O-CG1 3.4Å; A73-I76 PolarHBondContact O-N 3.02Å; I76-V82 HydrophobicContact CB-CG2 4.48Å; I76-V82 HydrophobicContact CD1-CG1 4.23Å; I76-V82 HydrophobicContact CD1-CG2 4.28Å; I76-V82 HydrophobicContact CG1-CG2 3.98Å; I76-V82 HydrophobicContact CG2-CG2 3.85Å
77	H	89.3	Confident	91.5	Very high	101 Å²	101	37.1 Å²	37.1	47%	0.468	19%	0.192	S	C	.	.			trans	-137.9	169.2	179.8	60.3	-83.9	0	0	0	111.2	L75 A80	L75-H77 PolarHBondContact O-N 3.2Å; L75-H77 PolarHBondContact O-ND1 3.38Å; H77-A80 WeakPolarHBondContact O-CB 3.38Å; H77-A80 PolarHBondContact O-N 2.87Å
78	R	89	Confident	91.5	Very high	134 Å²	134	43.5 Å²	43.5	51%	0.506	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	140.8	177.3	-175.9	179.9	179.8	-165.7	-1.3	111.3	T48 A80	T48-R78 PolarHBondContact O-NE 2.94Å; R78-A80 PolarHBondContact O-N 2.95Å
79	N	85.1	Confident	91.5	Very high	120 Å²	120	49.7 Å²	49.7	64%	0.642	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	5.3	-177.1	-55	-30.9	0	0	0	115.2	L47	L47-N79 WeakPolarHBondContact O-CA 3.43Å; L47-N79 PolarHBondContact O-N 2.9Å
80	A	80.9	Confident	91.7	Very high	10 Å²	10	50.4 Å²	50.4	8%	0.083	26%	0.255	C	S	.	.			trans	-74.3	144.2	171.4	0	0	0	0	0	110.9	H77 R78	H77-A80 WeakPolarHBondContact O-CB 3.38Å; H77-A80 PolarHBondContact O-N 2.87Å; R78-A80 PolarHBondContact O-N 2.95Å
81	T	87.7	Confident	91.8	Very high	57 Å²	57	50.7 Å²	50.7	35%	0.35	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.5	160.7	50.5	0	0	0	0	108.8
82	V	95.2	Very high	92.1	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.9	178.9	-178.8	0	0	0	0	109.5	R44 I45 L47 L56 Q69 I76 V84	R44-V82 CarbonylContact C-O 3.52Å; R44-V82 WeakPolarHBondContact CA-O 3.25Å; I45-V82 HydrophobicContact CB-CB 4.29Å; I45-V82 PolarHBondContact N-O 2.85Å; I45-V82 PolarHBondContact O-N 3.37Å; L47-V82 HydrophobicContact CD1-CG2 4.03Å; L56-V82 HydrophobicContact CD2-CB 4.23Å; L56-V82 HydrophobicContact CD2-CG1 4.22Å; L56-V82 HydrophobicContact CD2-CG2 4.11Å; Q69-V82 CarbonylContact O-C 3.46Å; Q69-V82 VanDerWaalsContact O-CA 3.24Å; Q69-V82 WeakPolarHBondContact O-CA 3.48Å; I76-V82 HydrophobicContact CB-CG2 4.48Å; I76-V82 HydrophobicContact CD1-CG1 4.23Å; I76-V82 HydrophobicContact CD1-CG2 4.28Å; I76-V82 HydrophobicContact CG1-CG2 3.98Å; I76-V82 HydrophobicContact CG2-CG2 3.85Å; V82-V84 HydrophobicContact CG1-CG1 3.91Å
83	D	96.8	Very high	92.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.6	174.3	-66.3	-13.5	0	0	0	110	F43 R44 W68 Q69 Y327	F43-D83 CarbonylContact O-C 3.46Å; F43-D83 VanDerWaalsContact O-CA 3.23Å; F43-D83 WeakPolarHBondContact O-CA 3.28Å; R44-D83 WeakPolarHBondContact CB-OD1 3.47Å; R44-D83 WeakPolarHBondContact CG-OD1 3.12Å; R44-D83 IonicContact CZ-OD1 3.86Å; R44-D83 IonicContact CZ-OD2 3.99Å; R44-D83 IonicContact NE-OD1 2.67Å; R44-D83 PolarHBondContact NE-OD1 3Å; R44-D83 IonicContact NE-OD2 2.69Å; R44-D83 IonicContact NH2-OD1 3.43Å; R44-D83 PolarHBondContact NH2-OD1 3.13Å; R44-D83 IonicContact NH2-OD2 2.86Å; R44-D83 PolarHBondContact NH2-OD2 3.45Å; W68-D83 HydrophobicContact CB-CB 3.92Å; W68-D83 PolarHBondContact N-O 3.19Å; Q69-D83 HydrophobicContact CB-CB 4.33Å; Q69-D83 PolarHBondContact N-O 3.43Å; Q69-D83 PolarHBondContact O-N 3.48Å; D83-Y327 WeakPolarHBondContact CB-OH 3.36Å; D83-Y327 PolarHBondContact OD2-OH 3.46Å
84	V	96.6	Very high	92.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.8	-178.6	-71.1	0	0	0	0	111.8	V42 F43 I45 L60 D66 F67 V82 V86 L94	V42-V84 WeakPolarHBondContact CA-O 3.34Å; F43-V84 HydrophobicContact CB-CG2 4.04Å; F43-V84 PolarHBondContact N-O 3.28Å; F43-V84 PolarHBondContact O-N 3.14Å; I45-V84 HydrophobicContact CD1-CG2 3.98Å; L60-V84 HydrophobicContact CD1-CG1 4.19Å; D66-V84 WeakPolarHBondContact O-CA 3Å; F67-V84 HydrophobicContact CD1-CG1 3.68Å; F67-V84 HydrophobicContact CE1-CG1 3.76Å; F67-V84 HydrophobicContact CG-CG1 4.42Å; V82-V84 HydrophobicContact CG1-CG1 3.91Å; V84-V86 HydrophobicContact CB-CG2 4.38Å; V84-V86 HydrophobicContact CG2-CG2 4.09Å; V84-L94 HydrophobicContact CG2-CD2 4.49Å
85	H	96.3	Very high	92.8	Very high	14 Å²	14	57.3 Å²	57.3	7%	0.065	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.4	166.3	162	-142.9	0	0	0	109.3	D40 Q41 V42 D66 W68 L112	D40-H85 WeakPolarHBondContact CB-NE2 3.42Å; D40-H85 IonicContact OD2-CD2 3.45Å; D40-H85 IonicContact OD2-CE1 2.69Å; D40-H85 IonicContact OD2-NE2 3.63Å; D40-H85 PolarHBondContact OD2-NE2 3.3Å; Q41-H85 WeakPolarHBondContact O-CA 3.44Å; V42-H85 HydrophobicContact CG2-CB 4.15Å; D66-H85 HydrophobicContact CB-CB 4.01Å; D66-H85 PolarHBondContact N-O 3.45Å; D66-H85 PolarHBondContact O-N 2.8Å; D66-H85 IonicContact OD2-ND1 3.25Å; W68-H85 HydrophobicContact CZ2-CB 4.44Å; H85-L112 VanDerWaalsContact CD2-CD2 3.46Å; H85-L112 WeakPolarHBondContact CD2-CD2 3.33Å; H85-L112 WeakPolarHBondContact NE2-CD2 3.42Å
86	V	96.7	Very high	93	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.7	-175	-174.6	0	0	0	0	109.5	D40 Q41 F43 I63 V65 V84 D90 T91 L94	D40-V86 WeakPolarHBondContact CA-O 3.46Å; Q41-V86 PolarHBondContact N-O 2.9Å; Q41-V86 PolarHBondContact O-N 3.43Å; F43-V86 HydrophobicContact CD2-CB 4.24Å; F43-V86 HydrophobicContact CD2-CG2 3.86Å; F43-V86 HydrophobicContact CE2-CB 4.07Å; F43-V86 HydrophobicContact CE2-CG2 4.15Å; I63-V86 HydrophobicContact CD1-CG1 4.29Å; V65-V86 HydrophobicContact CG1-CG2 3.92Å; V84-V86 HydrophobicContact CB-CG2 4.38Å; V84-V86 HydrophobicContact CG2-CG2 4.09Å; V86-D90 HydrophobicContact CG1-CB 3.68Å; V86-T91 HydrophobicContact CG1-CG2 4.41Å; V86-L94 HydrophobicContact CG1-CD2 4.47Å; V86-L94 HydrophobicContact CG2-CD2 3.65Å
87	K	96	Very high	93.2	Very high	106 Å²	106	64 Å²	64	46%	0.461	31%	0.307	S	S	.	.			trans	-66.4	147.4	178.9	-69.6	-170.9	174.9	-169.9	0	111.7	D40 N89 D90 T91	D40-K87 VanDerWaalsContact OD1-CA 3.23Å; D40-K87 WeakPolarHBondContact OD1-CA 3.35Å; K87-N89 PolarHBondContact O-N 3.34Å; K87-D90 PolarHBondContact O-N 2.77Å; K87-T91 WeakPolarHBondContact O-CG2 3.3Å; K87-T91 PolarHBondContact O-N 2.85Å
88	R	95.3	Very high	93.5	Very high	160 Å²	160	59.2 Å²	59.2	60%	0.604	28%	0.284	S	S	*	.	H	α-helix	trans	-41.5	-48.3	179.2	-177.1	-179.3	172.2	-179.9	-2.4	113.4	A38 G39 D40 D90 T91	A38-R88 WeakPolarHBondContact O-CD 3.24Å; G39-R88 WeakPolarHBondContact O-CA 3.27Å; G39-R88 WeakPolarHBondContact O-CB 3.32Å; D40-R88 PolarHBondContact OD1-N 3.18Å; R88-D90 PolarHBondContact O-N 2.95Å; R88-T91 PolarHBondContact O-N 2.87Å; R88-T91 PolarHBondContact O-OG1 3.08Å
89	N	94.4	Very high	93.8	Very high	144 Å²	144	60 Å²	60	77%	0.77	29%	0.291	S	S	*	.	H	α-helix	trans	-65	-25.1	-175.8	-66.4	-3.4	0	0	0	113.6	K87	K87-N89 PolarHBondContact O-N 3.34Å
90	D	95.6	Very high	94.3	Very high	45 Å²	45	59.8 Å²	59.8	24%	0.241	29%	0.29	C	S	.	.	H	α-helix	trans	-100.2	-11.8	-176.9	-62.3	-48.2	0	0	0	112.8	I63 V86 K87 R88 Q92 H93 L94	I63-D90 HydrophobicContact CB-CB 4.39Å; I63-D90 HydrophobicContact CD1-CB 4.41Å; I63-D90 HydrophobicContact CG2-CB 4.25Å; V86-D90 HydrophobicContact CG1-CB 3.68Å; K87-D90 PolarHBondContact O-N 2.77Å; R88-D90 PolarHBondContact O-N 2.95Å; D90-Q92 PolarHBondContact O-N 2.9Å; D90-H93 PolarHBondContact O-N 3.07Å; D90-L94 PolarHBondContact O-N 2.92Å
91	T	94.6	Very high	95	Very high	13 Å²	13	63.8 Å²	63.8	8%	0.08	31%	0.307	C	S	.	.	H	α-helix	trans	-57.9	-48.4	-176.7	58.3	0	0	0	0	112.8	Q41 F43 V86 K87 R88 H93 L94 H95	Q41-T91 HydrophobicContact CB-CG2 3.83Å; Q41-T91 HydrophobicContact CG-CG2 3.85Å; F43-T91 HydrophobicContact CE2-CG2 4.33Å; V86-T91 HydrophobicContact CG1-CG2 4.41Å; K87-T91 WeakPolarHBondContact O-CG2 3.3Å; K87-T91 PolarHBondContact O-N 2.85Å; R88-T91 PolarHBondContact O-N 2.87Å; R88-T91 PolarHBondContact O-OG1 3.08Å; T91-H93 PolarHBondContact O-N 3.21Å; T91-L94 PolarHBondContact O-N 3.09Å; T91-H95 WeakPolarHBondContact O-CB 3.31Å; T91-H95 PolarHBondContact O-CD2 3.25Å; T91-H95 PolarHBondContact O-N 2.98Å
92	Q	93	Very high	95.4	Very high	162 Å²	162	71.6 Å²	71.6	76%	0.757	33%	0.33	S	S	*	.	H	α-helix	trans	-64	-41	-179.8	-69.1	-173.8	-17.6	0	0	111.7	D90 H95 A96	D90-Q92 PolarHBondContact O-N 2.9Å; Q92-H95 PolarHBondContact O-N 3.28Å; Q92-A96 WeakPolarHBondContact O-CB 3.34Å; Q92-A96 PolarHBondContact O-N 2.86Å
93	H	93.3	Very high	95.4	Very high	69 Å²	69	71.9 Å²	71.9	32%	0.319	33%	0.331	S	S	.	.	H	α-helix	trans	-64.6	-45	177.2	179.4	-99.3	0	0	0	111.2	D90 T91 A96 R97	D90-H93 PolarHBondContact O-N 3.07Å; T91-H93 PolarHBondContact O-N 3.21Å; H93-A96 PolarHBondContact O-N 2.74Å; H93-R97 PolarHBondContact NE2-NE 2.87Å; H93-R97 VanDerWaalsContact NE2-NE 3.19Å; H93-R97 WeakPolarHBondContact O-CG 3.25Å; H93-R97 PolarHBondContact O-N 3.23Å
94	L	95.4	Very high	95.4	Very high	0 Å²	0	79.2 Å²	79.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.6	-47.4	176.2	179.2	61	0	0	0	111.5	F43 I59 L60 I63 V84 V86 D90 T91 A96 R97 L98	F43-L94 HydrophobicContact CD2-CD2 3.81Å; F43-L94 HydrophobicContact CE2-CD2 4.05Å; F43-L94 HydrophobicContact CG-CD2 4.17Å; I59-L94 HydrophobicContact CG2-CD1 3.55Å; L60-L94 HydrophobicContact CD2-CD1 4.14Å; I63-L94 HydrophobicContact CD1-CB 4.17Å; I63-L94 HydrophobicContact CD1-CD1 4.33Å; V84-L94 HydrophobicContact CG2-CD2 4.49Å; V86-L94 HydrophobicContact CG1-CD2 4.47Å; V86-L94 HydrophobicContact CG2-CD2 3.65Å; D90-L94 PolarHBondContact O-N 2.92Å; T91-L94 PolarHBondContact O-N 3.09Å; L94-A96 VanDerWaalsContact C-N 3.31Å; L94-A96 PolarHBondContact O-N 3.44Å; L94-R97 PolarHBondContact O-N 2.87Å; L94-L98 HydrophobicContact CD1-CD1 3.8Å; L94-L98 HydrophobicContact CD1-CD2 4.27Å; L94-L98 HydrophobicContact CD1-CG 3.79Å; L94-L98 HydrophobicContact CD2-CD1 4.35Å; L94-L98 HydrophobicContact CG-CD1 3.75Å; L94-L98 HydrophobicContact CG-CG 4.19Å; L94-L98 WeakPolarHBondContact O-CG 3.46Å; L94-L98 PolarHBondContact O-N 3.03Å
95	H	94.5	Very high	95.4	Very high	47 Å²	47	81.6 Å²	81.6	22%	0.218	37%	0.372	C	S	.	.	H	α-helix	trans	-53.8	-46.4	176.1	-90.6	-73	0	0	0	112.5	F43 T91 Q92 K99 Y105	F43-H95 AromaticContact CE1-CD2 3.76Å; F43-H95 AromaticContact CE1-CE1 3.48Å; F43-H95 VanDerWaalsContact CE1-CE1 3.48Å; F43-H95 WeakPolarHBondContact CE1-CE1 3.46Å; F43-H95 AromaticContact CE1-ND1 3.99Å; F43-H95 AromaticContact CE1-NE2 3.3Å; F43-H95 VanDerWaalsContact CE1-NE2 3.3Å; F43-H95 WeakPolarHBondContact CE1-NE2 3.42Å; F43-H95 AromaticContact CZ-CD2 3.67Å; F43-H95 AromaticContact CZ-NE2 3.47Å; F43-H95 WeakPolarHBondContact CZ-NE2 3.38Å; T91-H95 WeakPolarHBondContact O-CB 3.31Å; T91-H95 PolarHBondContact O-CD2 3.25Å; T91-H95 PolarHBondContact O-N 2.98Å; Q92-H95 PolarHBondContact O-N 3.28Å; H95-K99 WeakPolarHBondContact O-CG 2.99Å; H95-K99 PolarHBondContact O-N 3.36Å; H95-K99 VanDerWaalsContact O-N 3.14Å; H95-Y105 AromaticContact CE1-CE2 3.51Å; H95-Y105 AromaticContact ND1-CE2 3.17Å; H95-Y105 WeakPolarHBondContact ND1-CE2 3.47Å; H95-Y105 AromaticContact ND1-CZ 3.34Å; H95-Y105 VanDerWaalsContact ND1-CZ 3.34Å; H95-Y105 PolarHBondContact ND1-OH 3.45Å
96	A	95.1	Very high	95.4	Very high	59 Å²	59	87.6 Å²	87.6	49%	0.488	39%	0.394	S	S	.	.	H	α-helix	trans	-64.9	-45	-179.8	0	0	0	0	0	111.8	Q92 H93 L94 K99 L100	Q92-A96 WeakPolarHBondContact O-CB 3.34Å; Q92-A96 PolarHBondContact O-N 2.86Å; H93-A96 PolarHBondContact O-N 2.74Å; L94-A96 VanDerWaalsContact C-N 3.31Å; L94-A96 PolarHBondContact O-N 3.44Å; A96-K99 PolarHBondContact O-N 3.33Å; A96-L100 WeakPolarHBondContact O-CB 3.18Å; A96-L100 PolarHBondContact O-N 2.82Å
97	R	95.8	Very high	95.3	Very high	104 Å²	104	90.1 Å²	90.1	39%	0.392	41%	0.41	S	S	.	.	H	α-helix	trans	-65.7	-43.9	179	-68.2	-64.6	-175.4	175.5	-0.6	112.7	I59 H93 L94 K99 L100 E101	I59-R97 HydrophobicContact CD1-CB 3.9Å; I59-R97 HydrophobicContact CG1-CB 4.02Å; I59-R97 HydrophobicContact CG2-CB 4.02Å; H93-R97 PolarHBondContact NE2-NE 2.87Å; H93-R97 VanDerWaalsContact NE2-NE 3.19Å; H93-R97 WeakPolarHBondContact O-CG 3.25Å; H93-R97 PolarHBondContact O-N 3.23Å; L94-R97 PolarHBondContact O-N 2.87Å; R97-K99 VanDerWaalsContact C-N 3.31Å; R97-K99 PolarHBondContact O-N 2.86Å; R97-L100 PolarHBondContact O-N 3Å; R97-E101 WeakPolarHBondContact O-CG 3.44Å; R97-E101 PolarHBondContact O-N 2.56Å
98	L	96	Very high	95.3	Very high	0 Å²	0	86.4 Å²	86.4	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-62.8	-38.7	177.2	-67.7	173.6	0	0	0	111.9	I45 L56 I59 L94 R102 I103 Y105	I45-L98 HydrophobicContact CD1-CD1 3.97Å; I45-L98 HydrophobicContact CD1-CD2 4.2Å; I45-L98 HydrophobicContact CG1-CD1 4.22Å; I45-L98 HydrophobicContact CG2-CD2 4.39Å; L56-L98 HydrophobicContact CD1-CD2 3.81Å; I59-L98 HydrophobicContact CD1-CD2 4.34Å; L94-L98 HydrophobicContact CD1-CD1 3.8Å; L94-L98 HydrophobicContact CD1-CD2 4.27Å; L94-L98 HydrophobicContact CD1-CG 3.79Å; L94-L98 HydrophobicContact CD2-CD1 4.35Å; L94-L98 HydrophobicContact CG-CD1 3.75Å; L94-L98 HydrophobicContact CG-CG 4.19Å; L94-L98 WeakPolarHBondContact O-CG 3.46Å; L94-L98 PolarHBondContact O-N 3.03Å; L98-R102 PolarHBondContact O-N 3.42Å; L98-R102 VanDerWaalsContact O-N 3.14Å; L98-I103 HydrophobicContact CD2-CB 4.04Å; L98-I103 HydrophobicContact CD2-CD1 4.13Å; L98-I103 HydrophobicContact CD2-CG2 4.01Å; L98-I103 PolarHBondContact O-N 2.89Å; L98-Y105 HydrophobicContact CB-CD1 3.53Å; L98-Y105 HydrophobicContact CB-CE1 3.54Å; L98-Y105 HydrophobicContact CB-CG 4.42Å; L98-Y105 HydrophobicContact CD1-CD1 3.68Å; L98-Y105 HydrophobicContact CD1-CD2 4.23Å; L98-Y105 HydrophobicContact CD1-CE1 4.16Å; L98-Y105 HydrophobicContact CD1-CG 3.7Å; L98-Y105 HydrophobicContact CG-CD1 4.21Å
99	K	95.9	Very high	95.3	Very high	150 Å²	150	79.3 Å²	79.3	65%	0.652	37%	0.369	S	S	*	.	H	α-helix	trans	-65.7	-42.8	174.7	-77.1	-178.6	176.5	-177	0	112.3	H95 A96 R97 R102 Y105	H95-K99 WeakPolarHBondContact O-CG 2.99Å; H95-K99 PolarHBondContact O-N 3.36Å; H95-K99 VanDerWaalsContact O-N 3.14Å; A96-K99 PolarHBondContact O-N 3.33Å; R97-K99 VanDerWaalsContact C-N 3.31Å; R97-K99 PolarHBondContact O-N 2.86Å; K99-R102 PolarHBondContact O-N 3.04Å; K99-R102 VanDerWaalsContact O-N 3.09Å; K99-Y105 WeakPolarHBondContact CE-OH 3.4Å; K99-Y105 HydrophobicContact CG-CE1 4.2Å
100	L	95.8	Very high	95.4	Very high	115 Å²	115	76.2 Å²	76.2	60%	0.602	36%	0.359	S	S	*	.	H	α-helix	trans	-59.8	-46.4	178.2	-179.4	65.5	0	0	0	111.4	A96 R97 R102	A96-L100 WeakPolarHBondContact O-CB 3.18Å; A96-L100 PolarHBondContact O-N 2.82Å; R97-L100 PolarHBondContact O-N 3Å; L100-R102 PolarHBondContact O-N 3.18Å
101	E	95.5	Very high	95.4	Very high	94 Å²	94	75.4 Å²	75.4	44%	0.439	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	1.4	177.6	-60.4	-59.8	155.8	0	0	113.2	A55 I59 R97 I103	A55-E101 HydrophobicContact CB-CG 4.28Å; I59-E101 HydrophobicContact CD1-CG 3.92Å; R97-E101 WeakPolarHBondContact O-CG 3.44Å; R97-E101 PolarHBondContact O-N 2.56Å; E101-I103 HydrophobicContact CB-CD1 3.79Å; E101-I103 HydrophobicContact CB-CG1 3.83Å; E101-I103 PolarHBondContact O-N 2.82Å; E101-I103 VanDerWaalsContact O-N 3.13Å
102	R	95.8	Very high	95.4	Very high	222 Å²	222	74.8 Å²	74.8	84%	0.838	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	28	-177.5	-56.2	178.3	177.1	172.6	-1.4	113.8	L98 K99 L100	L98-R102 PolarHBondContact O-N 3.42Å; L98-R102 VanDerWaalsContact O-N 3.14Å; K99-R102 PolarHBondContact O-N 3.04Å; K99-R102 VanDerWaalsContact O-N 3.09Å; L100-R102 PolarHBondContact O-N 3.18Å
103	I	96	Very high	95.4	Very high	6 Å²	6	67.3 Å²	67.3	3%	0.031	32%	0.315	C	S	.	.			trans	-77.3	131.4	178.2	-63.3	171.8	0	0	0	109	I45 L47 E52 A55 L56 I59 L98 E101 Y105	I45-I103 HydrophobicContact CG2-CG2 3.46Å; I45-I103 VanDerWaalsContact CG2-CG2 3.46Å; L47-I103 HydrophobicContact CD2-CG2 3.99Å; E52-I103 HydrophobicContact CB-CG1 4.3Å; E52-I103 HydrophobicContact CG-CG1 4.14Å; A55-I103 HydrophobicContact CB-CD1 4.15Å; L56-I103 HydrophobicContact CB-CD1 4.34Å; I59-I103 HydrophobicContact CD1-CD1 4.35Å; L98-I103 HydrophobicContact CD2-CB 4.04Å; L98-I103 HydrophobicContact CD2-CD1 4.13Å; L98-I103 HydrophobicContact CD2-CG2 4.01Å; L98-I103 PolarHBondContact O-N 2.89Å; E101-I103 HydrophobicContact CB-CD1 3.79Å; E101-I103 HydrophobicContact CB-CG1 3.83Å; E101-I103 PolarHBondContact O-N 2.82Å; E101-I103 VanDerWaalsContact O-N 3.13Å; I103-Y105 WeakPolarHBondContact O-CD1 3.37Å
104	K	95.7	Very high	95.4	Very high	153 Å²	153	69.6 Å²	69.6	67%	0.665	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.1	178.6	-174	176.6	180	177.5	0	111	T46	T46-K104 PolarHBondContact N-O 2.86Å
105	Y	96.3	Very high	95.3	Very high	51 Å²	51	71.7 Å²	71.7	20%	0.2	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	166.5	174.9	70.9	-85.8	0	0	0	112.4	F43 R44 H95 L98 K99 I103	F43-Y105 AromaticContact CD1-CD2 3.97Å; F43-Y105 HydrophobicContact CD1-CD2 3.97Å; F43-Y105 HydrophobicContact CD1-CE2 4.4Å; F43-Y105 HydrophobicContact CE1-CD2 4.38Å; F43-Y105 HydrophobicContact CE1-CE2 4.35Å; R44-Y105 CarbonylContact O-C 3.57Å; R44-Y105 WeakPolarHBondContact O-CA 3.34Å; R44-Y105 WeakPolarHBondContact O-CB 3.28Å; H95-Y105 AromaticContact CE1-CE2 3.51Å; H95-Y105 AromaticContact ND1-CE2 3.17Å; H95-Y105 WeakPolarHBondContact ND1-CE2 3.47Å; H95-Y105 AromaticContact ND1-CZ 3.34Å; H95-Y105 VanDerWaalsContact ND1-CZ 3.34Å; H95-Y105 PolarHBondContact ND1-OH 3.45Å; L98-Y105 HydrophobicContact CB-CD1 3.53Å; L98-Y105 HydrophobicContact CB-CE1 3.54Å; L98-Y105 HydrophobicContact CB-CG 4.42Å; L98-Y105 HydrophobicContact CD1-CD1 3.68Å; L98-Y105 HydrophobicContact CD1-CD2 4.23Å; L98-Y105 HydrophobicContact CD1-CE1 4.16Å; L98-Y105 HydrophobicContact CD1-CG 3.7Å; L98-Y105 HydrophobicContact CG-CD1 4.21Å; K99-Y105 WeakPolarHBondContact CE-OH 3.4Å; K99-Y105 HydrophobicContact CG-CE1 4.2Å; I103-Y105 WeakPolarHBondContact O-CD1 3.37Å
106	R	96	Very high	95.2	Very high	139 Å²	139	69.5 Å²	69.5	53%	0.525	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	150.5	167.7	65.9	179.7	-174.1	-178.6	2.8	110.6	F43 R44 L108	F43-R106 WeakPolarHBondContact CA-O 3.39Å; R44-R106 HydrophobicContact CB-CG 3.97Å; R44-R106 PolarHBondContact N-O 2.97Å; R44-R106 PolarHBondContact O-N 3.25Å; R106-L108 HydrophobicContact CG-CD2 4.41Å
107	T	96.2	Very high	94.9	Very high	53 Å²	53	69.2 Å²	69.2	33%	0.325	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.3	169.6	-53.2	0	0	0	0	108.5	Q41 I109	Q41-T107 HydrophobicContact CB-CG2 4.46Å; T107-I109 VanDerWaalsContact CG2-O 3.31Å; T107-I109 WeakPolarHBondContact CG2-O 3.2Å
108	L	95.3	Very high	94.5	Very high	29 Å²	29	70.8 Å²	70.8	15%	0.152	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-46.1	175.6	-67.7	171.4	0	0	0	110.9	V42 R44 R106 G404	V42-L108 HydrophobicContact CB-CB 4.46Å; V42-L108 HydrophobicContact CG1-CB 4.4Å; V42-L108 HydrophobicContact CG1-CD1 4.12Å; V42-L108 PolarHBondContact O-N 3.44Å; R44-L108 HydrophobicContact CB-CD1 3.68Å; R44-L108 HydrophobicContact CB-CD2 4Å; R44-L108 HydrophobicContact CB-CG 3.75Å; R106-L108 HydrophobicContact CG-CD2 4.41Å; L108-G404 WeakPolarHBondContact CD1-O 3.05Å
109	I	95.7	Very high	93.7	Very high	10 Å²	10	71.1 Å²	71.1	5%	0.051	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.5	179.9	-59.1	174.6	0	0	0	107.7	Q41 V42 W68 T107 L112 E115	Q41-I109 VanDerWaalsContact CA-O 3.31Å; Q41-I109 WeakPolarHBondContact CA-O 3.46Å; V42-I109 HydrophobicContact CB-CB 3.99Å; V42-I109 HydrophobicContact CB-CD1 4.34Å; V42-I109 HydrophobicContact CB-CG1 4.28Å; V42-I109 HydrophobicContact CG2-CB 4.08Å; V42-I109 HydrophobicContact CG2-CD1 4.02Å; V42-I109 HydrophobicContact CG2-CG1 4.4Å; V42-I109 PolarHBondContact N-O 3.5Å; V42-I109 PolarHBondContact O-N 3.13Å; W68-I109 HydrophobicContact CH2-CD1 4.09Å; W68-I109 HydrophobicContact CZ3-CD1 4.3Å; T107-I109 VanDerWaalsContact CG2-O 3.31Å; T107-I109 WeakPolarHBondContact CG2-O 3.2Å; I109-L112 HydrophobicContact CD1-CD1 3.93Å; I109-L112 HydrophobicContact CG2-CB 4.41Å; I109-L112 HydrophobicContact CG2-CD1 3.94Å; I109-E115 HydrophobicContact CG2-CB 4.4Å; I109-E115 HydrophobicContact CG2-CG 3.59Å
110	S	95.4	Very high	92.2	Very high	80 Å²	80	64.4 Å²	64.4	56%	0.559	30%	0.296	S	S	*	.	S	Bend	trans	-90.2	-21.6	-174.6	55.2	0	0	0	0	113.9	Q41	Q41-S110 WeakPolarHBondContact CG-O 3.48Å; Q41-S110 PolarHBondContact NE2-O 3.46Å
111	D	95.3	Very high	90.2	Very high	28 Å²	28	61.8 Å²	61.8	15%	0.15	30%	0.296	C	S	.	.			trans	-151.9	100.1	175.9	-169.7	-18.8	0	0	0	109.4	G39 Q113 K114 E115	G39-D111 PolarHBondContact N-OD1 2.92Å; G39-D111 VanDerWaalsContact N-OD1 3.13Å; D111-Q113 VanDerWaalsContact C-N 3.32Å; D111-Q113 PolarHBondContact O-N 3.02Å; D111-Q113 PolarHBondContact OD1-N 3.47Å; D111-K114 HydrophobicContact CB-CB 4.32Å; D111-K114 HydrophobicContact CB-CD 3.98Å; D111-K114 HydrophobicContact CB-CG 4.21Å; D111-K114 PolarHBondContact O-N 2.79Å; D111-K114 VanDerWaalsContact OD2-CD 3.28Å; D111-K114 WeakPolarHBondContact OD2-CD 3.49Å; D111-K114 WeakPolarHBondContact OD2-CE 3.41Å; D111-K114 IonicContact OD2-NZ 3.04Å; D111-K114 PolarHBondContact OD2-NZ 3Å; D111-E115 PolarHBondContact O-N 3.17Å
112	L	94.7	Very high	88	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67.4	-32.5	-171.2	-165.5	59.2	0	0	0	112.8	Y37 D40 V42 W68 H85 I109 K114 E115 I116 F253 L409	Y37-L112 HydrophobicContact CD1-CD2 4.32Å; D40-L112 HydrophobicContact CB-CB 3.96Å; D40-L112 HydrophobicContact CB-CD2 4.21Å; D40-L112 WeakPolarHBondContact O-CB 3.39Å; D40-L112 PolarHBondContact O-N 3.09Å; V42-L112 HydrophobicContact CG2-CD1 3.99Å; V42-L112 HydrophobicContact CG2-CD2 4.47Å; W68-L112 HydrophobicContact CH2-CD1 4.3Å; W68-L112 HydrophobicContact CZ2-CD1 4.4Å; H85-L112 VanDerWaalsContact CD2-CD2 3.46Å; H85-L112 WeakPolarHBondContact CD2-CD2 3.33Å; H85-L112 WeakPolarHBondContact NE2-CD2 3.42Å; I109-L112 HydrophobicContact CD1-CD1 3.93Å; I109-L112 HydrophobicContact CG2-CB 4.41Å; I109-L112 HydrophobicContact CG2-CD1 3.94Å; L112-K114 VanDerWaalsContact C-N 3.34Å; L112-K114 PolarHBondContact O-N 3.4Å; L112-E115 PolarHBondContact O-N 3.09Å; L112-I116 HydrophobicContact CG-CD1 4.5Å; L112-I116 WeakPolarHBondContact O-CG1 3.43Å; L112-I116 PolarHBondContact O-N 2.64Å; L112-I116 VanDerWaalsContact O-N 3.07Å; L112-F253 HydrophobicContact CD1-CE2 4.18Å; L112-F253 HydrophobicContact CD1-CZ 3.64Å; L112-F253 HydrophobicContact CD2-CD2 4.08Å; L112-F253 HydrophobicContact CD2-CE2 3.26Å; L112-F253 HydrophobicContact CD2-CZ 3.58Å; L112-F253 HydrophobicContact CG-CE2 3.64Å; L112-F253 HydrophobicContact CG-CZ 3.64Å; L112-L409 HydrophobicContact CD1-CD1 3.6Å
113	Q	94.9	Very high	85.9	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-42.6	176.5	-175.2	64.8	43.6	0	0	111.6	Q32 Y37 A38 D111 E115 I116 E117	Q32-Q113 PolarHBondContact O-NE2 2.84Å; Y37-Q113 PolarHBondContact O-N 3.16Å; A38-Q113 HydrophobicContact CB-CB 4.31Å; A38-Q113 HydrophobicContact CB-CG 4.45Å; D111-Q113 VanDerWaalsContact C-N 3.32Å; D111-Q113 PolarHBondContact O-N 3.02Å; D111-Q113 PolarHBondContact OD1-N 3.47Å; Q113-E115 VanDerWaalsContact C-N 3.33Å; Q113-E115 PolarHBondContact O-N 3.38Å; Q113-I116 WeakPolarHBondContact O-CB 3.27Å; Q113-I116 PolarHBondContact O-N 3.18Å; Q113-E117 WeakPolarHBondContact CG-OE1 3.47Å; Q113-E117 PolarHBondContact NE2-OE1 3.44Å; Q113-E117 WeakPolarHBondContact O-CG 3.25Å; Q113-E117 PolarHBondContact O-N 2.68Å
114	K	93	Very high	83.1	Confident	117 Å²	117	65 Å²	65	51%	0.509	33%	0.327	S	S	.	.	H	α-helix	trans	-64.3	-38.3	178.2	-70.3	179.8	-176.7	151.6	0	112.3	D111 L112 E117 K118	D111-K114 HydrophobicContact CB-CB 4.32Å; D111-K114 HydrophobicContact CB-CD 3.98Å; D111-K114 HydrophobicContact CB-CG 4.21Å; D111-K114 PolarHBondContact O-N 2.79Å; D111-K114 VanDerWaalsContact OD2-CD 3.28Å; D111-K114 WeakPolarHBondContact OD2-CD 3.49Å; D111-K114 WeakPolarHBondContact OD2-CE 3.41Å; D111-K114 IonicContact OD2-NZ 3.04Å; D111-K114 PolarHBondContact OD2-NZ 3Å; L112-K114 VanDerWaalsContact C-N 3.34Å; L112-K114 PolarHBondContact O-N 3.4Å; K114-E117 PolarHBondContact O-N 3.43Å; K114-K118 WeakPolarHBondContact O-CG 3.49Å; K114-K118 PolarHBondContact O-N 3.08Å
115	E	92.3	Very high	80.7	Confident	44 Å²	44	62.3 Å²	62.3	21%	0.206	33%	0.327	C	S	.	.	H	α-helix	trans	-68.8	-35.8	176.9	-62.6	-50.7	136.4	0	0	112.2	I109 D111 L112 Q113 E117 K118 Q119 L409	I109-E115 HydrophobicContact CG2-CB 4.4Å; I109-E115 HydrophobicContact CG2-CG 3.59Å; D111-E115 PolarHBondContact O-N 3.17Å; L112-E115 PolarHBondContact O-N 3.09Å; Q113-E115 VanDerWaalsContact C-N 3.33Å; Q113-E115 PolarHBondContact O-N 3.38Å; E115-E117 VanDerWaalsContact C-N 3.34Å; E115-K118 PolarHBondContact O-N 3.24Å; E115-K118 IonicContact OE1-NZ 3.33Å; E115-K118 PolarHBondContact OE1-NZ 3.47Å; E115-K118 WeakPolarHBondContact OE2-CD 3.45Å; E115-K118 IonicContact OE2-NZ 2.86Å; E115-K118 PolarHBondContact OE2-NZ 3.01Å; E115-Q119 PolarHBondContact O-N 3.38Å; E115-L409 HydrophobicContact CB-CD1 3.65Å
116	I	92.3	Very high	78.7	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-44.1	172.3	-70	168.1	0	0	0	110.9	Q32 Y33 Y37 L112 Q113 K118 Q119 T120 R252 F253 L409	Q32-I116 HydrophobicContact CB-CG2 4.44Å; Y33-I116 HydrophobicContact CD2-CG2 3.78Å; Y33-I116 HydrophobicContact CE2-CG2 3.51Å; Y37-I116 HydrophobicContact CD2-CD1 3.28Å; Y37-I116 HydrophobicContact CE2-CD1 3.76Å; Y37-I116 HydrophobicContact CG-CD1 3.82Å; L112-I116 HydrophobicContact CG-CD1 4.5Å; L112-I116 WeakPolarHBondContact O-CG1 3.43Å; L112-I116 PolarHBondContact O-N 2.64Å; L112-I116 VanDerWaalsContact O-N 3.07Å; Q113-I116 WeakPolarHBondContact O-CB 3.27Å; Q113-I116 PolarHBondContact O-N 3.18Å; I116-K118 VanDerWaalsContact C-N 3.29Å; I116-K118 PolarHBondContact O-N 3.47Å; I116-Q119 VanDerWaalsContact O-CB 3.28Å; I116-Q119 WeakPolarHBondContact O-CB 3.25Å; I116-Q119 PolarHBondContact O-N 3.17Å; I116-Q119 VanDerWaalsContact O-N 3.08Å; I116-T120 PolarHBondContact O-OG1 3.25Å; I116-T120 VanDerWaalsContact O-OG1 3.13Å; I116-R252 HydrophobicContact CD1-CB 4.2Å; I116-R252 HydrophobicContact CD1-CG 4.13Å; I116-R252 HydrophobicContact CG1-CG 4.23Å; I116-F253 HydrophobicContact CD1-CE2 3.8Å; I116-F253 HydrophobicContact CD1-CZ 4.1Å; I116-F253 HydrophobicContact CG1-CZ 4.39Å; I116-L409 HydrophobicContact CG1-CD1 3.92Å; I116-L409 HydrophobicContact CG1-CD2 3.83Å
117	E	89.5	Confident	76.1	Confident	54 Å²	54	67.4 Å²	67.4	25%	0.252	35%	0.351	S	S	.	.	H	α-helix	trans	-67.9	-28.7	179.5	-72.9	167.2	-176.5	0	0	112.6	Q113 K114 E115 Q119 T120 G121	Q113-E117 WeakPolarHBondContact CG-OE1 3.47Å; Q113-E117 PolarHBondContact NE2-OE1 3.44Å; Q113-E117 WeakPolarHBondContact O-CG 3.25Å; Q113-E117 PolarHBondContact O-N 2.68Å; K114-E117 PolarHBondContact O-N 3.43Å; E115-E117 VanDerWaalsContact C-N 3.34Å; E117-Q119 VanDerWaalsContact C-N 3.32Å; E117-T120 PolarHBondContact O-N 3.48Å; E117-T120 PolarHBondContact O-OG1 3.28Å; E117-G121 VanDerWaalsContact O-CA 3.32Å; E117-G121 WeakPolarHBondContact O-CA 3.3Å; E117-G121 PolarHBondContact O-N 3.27Å
118	K	86.8	Confident	73.9	Confident	136 Å²	136	74.5 Å²	74.5	59%	0.591	37%	0.372	S	S	*	.	H	α-helix	trans	-69	-31	170.6	-72	170.2	-173.7	173.2	0	112.6	K114 E115 I116 T120	K114-K118 WeakPolarHBondContact O-CG 3.49Å; K114-K118 PolarHBondContact O-N 3.08Å; E115-K118 PolarHBondContact O-N 3.24Å; E115-K118 IonicContact OE1-NZ 3.33Å; E115-K118 PolarHBondContact OE1-NZ 3.47Å; E115-K118 WeakPolarHBondContact OE2-CD 3.45Å; E115-K118 IonicContact OE2-NZ 2.86Å; E115-K118 PolarHBondContact OE2-NZ 3.01Å; I116-K118 VanDerWaalsContact C-N 3.29Å; I116-K118 PolarHBondContact O-N 3.47Å; K118-T120 PolarHBondContact O-N 3.12Å
119	Q	79.4	Confident	71.7	Confident	7 Å²	7	83 Å²	83	3%	0.033	40%	0.402	C	S	.	.	H	α-helix	trans	-67.1	-21	177.1	-159.6	-177.3	5.5	0	0	111.9	E115 I116 E117 Y139 W201	E115-Q119 PolarHBondContact O-N 3.38Å; I116-Q119 VanDerWaalsContact O-CB 3.28Å; I116-Q119 WeakPolarHBondContact O-CB 3.25Å; I116-Q119 PolarHBondContact O-N 3.17Å; I116-Q119 VanDerWaalsContact O-N 3.08Å; E117-Q119 VanDerWaalsContact C-N 3.32Å; Q119-Y139 HydrophobicContact CG-CD2 4.05Å; Q119-Y139 HydrophobicContact CG-CE2 4.06Å; Q119-W201 VanDerWaalsContact NE2-CE3 3.32Å
120	T	64.4	Low	69.3	Low	10 Å²	10	85.8 Å²	85.8	6%	0.061	42%	0.422	C	S	.	.	H	α-helix	trans	-128.7	-12.9	-168	55.8	0	0	0	0	114.6	Q32 I116 E117 K118 Y122 H123	Q32-T120 PolarHBondContact NE2-OG1 3.02Å; Q32-T120 VanDerWaalsContact OE1-CG2 3.23Å; Q32-T120 PolarHBondContact OE1-OG1 3.4Å; I116-T120 PolarHBondContact O-OG1 3.25Å; I116-T120 VanDerWaalsContact O-OG1 3.13Å; E117-T120 PolarHBondContact O-N 3.48Å; E117-T120 PolarHBondContact O-OG1 3.28Å; K118-T120 PolarHBondContact O-N 3.12Å; T120-Y122 PolarHBondContact O-N 2.91Å; T120-H123 VanDerWaalsContact CB-NE2 3.29Å; T120-H123 WeakPolarHBondContact CB-NE2 3.43Å; T120-H123 PolarHBondContact O-CD2 3.42Å; T120-H123 PolarHBondContact O-N 2.9Å; T120-H123 VanDerWaalsContact O-N 3.08Å; T120-H123 PolarHBondContact O-NE2 2.72Å
121	G	53.6	Low	66.9	Low	59 Å²	59	88.5 Å²	88.5	61%	0.608	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-7.3	-174.6	0	0	0	0	0	116.4	E117 H123	E117-G121 VanDerWaalsContact O-CA 3.32Å; E117-G121 WeakPolarHBondContact O-CA 3.3Å; E117-G121 PolarHBondContact O-N 3.27Å; G121-H123 VanDerWaalsContact C-N 3.35Å
122	Y	49.7	Very low	64.9	Low	197 Å²	197	92.1 Å²	92.1	77%	0.773	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	13.6	172.5	-83.2	-86.8	0	0	0	114.2	T120 S124	T120-Y122 PolarHBondContact O-N 2.91Å; Y122-S124 PolarHBondContact O-N 2.67Å; Y122-S124 VanDerWaalsContact O-N 3.09Å
123	H	52.3	Low	63.8	Low	72 Å²	72	96.6 Å²	96.6	33%	0.333	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-65.9	-5.7	-178.9	-74.9	-39	0	0	0	116.5	T120 G121 S125 R126	T120-H123 VanDerWaalsContact CB-NE2 3.29Å; T120-H123 WeakPolarHBondContact CB-NE2 3.43Å; T120-H123 PolarHBondContact O-CD2 3.42Å; T120-H123 PolarHBondContact O-N 2.9Å; T120-H123 VanDerWaalsContact O-N 3.08Å; T120-H123 PolarHBondContact O-NE2 2.72Å; G121-H123 VanDerWaalsContact C-N 3.35Å; H123-S125 VanDerWaalsContact C-N 3.26Å; H123-S125 PolarHBondContact O-N 3.16Å; H123-R126 PolarHBondContact CE1-NH2 3.13Å
124	S	37.4	Very low	63.5	Low	122 Å²	122	98.7 Å²	98.7	85%	0.853	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-75.3	1.4	-173.5	64.3	0	0	0	0	116.2	Y122	Y122-S124 PolarHBondContact O-N 2.67Å; Y122-S124 VanDerWaalsContact O-N 3.09Å
125	S	43.4	Very low	63.5	Low	95 Å²	95	96.9 Å²	96.9	66%	0.664	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-134.2	25.8	-177	68.4	0	0	0	0	116.2	H123 K127	H123-S125 VanDerWaalsContact C-N 3.26Å; H123-S125 PolarHBondContact O-N 3.16Å; S125-K127 PolarHBondContact O-N 3.02Å
126	R	55.1	Low	63.7	Low	111 Å²	111	96.2 Å²	96.2	42%	0.419	47%	0.474	S	S	.	.			trans	-69.5	75.6	173.1	-70.8	-173	176.2	-171.7	2.1	111.6	H123 R128 Y139 E144	H123-R126 PolarHBondContact CE1-NH2 3.13Å; R126-R128 PolarHBondContact O-N 3.08Å; R126-Y139 PolarHBondContact NH2-O 3.28Å; R126-E144 IonicContact CZ-OE1 3.91Å; R126-E144 IonicContact NH1-OE1 2.74Å; R126-E144 PolarHBondContact NH1-OE1 2.83Å; R126-E144 IonicContact NH1-OE2 2.69Å; R126-E144 PolarHBondContact NH1-OE2 3.28Å
127	K	41.4	Very low	63.8	Low	186 Å²	186	99.5 Å²	99.5	81%	0.809	49%	0.49	S	S	*	.			trans	-62.6	121.8	162.1	-89.3	-177.5	176.5	176.9	0	108.1	S125 Q133	S125-K127 PolarHBondContact O-N 3.02Å; K127-Q133 PolarHBondContact O-OE1 2.87Å
128	R	49.1	Very low	64	Low	202 Å²	202	98.2 Å²	98.2	76%	0.762	49%	0.486	S	S	*	.			trans	-72.7	144.9	179.3	-97.5	176.8	167.8	173.1	-1.9	112.2	R126 Q133	R126-R128 PolarHBondContact O-N 3.08Å; R128-Q133 PolarHBondContact O-OE1 2.88Å
129	R	50.3	Low	64.5	Low	207 Å²	207	91.9 Å²	91.9	78%	0.781	46%	0.458	S	S	*	.			trans	79	84.9	143.8	-66.4	166.4	179	-179.9	-2.2	118.5	Q133	R129-Q133 VanDerWaalsContact N-OE1 3.11Å
130	S	44.6	Very low	65.2	Low	69 Å²	69	92.2 Å²	92.2	48%	0.483	46%	0.459	S	S	.	.				-166	170.2	126.3	84.4	0	0	0	0	110.9	S132 Q133	S130-S132 PolarHBondContact O-N 2.87Å; S130-S132 PolarHBondContact OG-N 3.5Å; S130-S132 PolarHBondContact OG-OG 3.39Å; S130-Q133 PolarHBondContact O-N 2.92Å
131	E	46	Very low	66.8	Low	138 Å²	138	92.8 Å²	92.8	65%	0.645	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-50.9	-21.4	175.3	-168.9	179.1	-179.4	0	0	113.5	S155	E131-S155 WeakPolarHBondContact OE1-CB 3.43Å
132	S	53.7	Low	68.9	Low	104 Å²	104	90.1 Å²	90.1	73%	0.727	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-82	-2.5	175.7	68.3	0	0	0	0	115.6	S130	S130-S132 PolarHBondContact O-N 2.87Å; S130-S132 PolarHBondContact OG-N 3.5Å; S130-S132 PolarHBondContact OG-OG 3.39Å
133	Q	70.9	Confident	71.2	Confident	94 Å²	94	84.2 Å²	84.2	44%	0.439	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-118.4	4.8	-171.7	-69.6	-179.5	-11.3	0	0	115.1	K127 R128 R129 S130 D135	K127-Q133 PolarHBondContact O-OE1 2.87Å; R128-Q133 PolarHBondContact O-OE1 2.88Å; R129-Q133 VanDerWaalsContact N-OE1 3.11Å; S130-Q133 PolarHBondContact O-N 2.92Å; Q133-D135 PolarHBondContact O-N 3.49Å
134	Y	89	Confident	73.3	Confident	48 Å²	48	83.4 Å²	83.4	19%	0.188	41%	0.412	C	S	.	.			trans	-74.6	112.4	171.7	-170.7	-82.3	0	0	0	109.5	Y136 H140 W148 Q208	Y134-Y136 AromaticContact CD1-CD1 3.9Å; Y134-Y136 HydrophobicContact CD1-CD1 3.9Å; Y134-Y136 AromaticContact CD1-CD2 3.83Å; Y134-Y136 HydrophobicContact CD1-CD2 3.83Å; Y134-Y136 AromaticContact CD1-CE1 3.67Å; Y134-Y136 HydrophobicContact CD1-CE1 3.67Å; Y134-Y136 AromaticContact CD1-CE2 3.62Å; Y134-Y136 HydrophobicContact CD1-CE2 3.62Å; Y134-Y136 AromaticContact CD1-CG 3.98Å; Y134-Y136 HydrophobicContact CD1-CG 3.98Å; Y134-Y136 AromaticContact CD1-CZ 3.54Å; Y134-Y136 AromaticContact CE1-CD1 3.6Å; Y134-Y136 HydrophobicContact CE1-CD1 3.6Å; Y134-Y136 HydrophobicContact CE1-CD2 4.33Å; Y134-Y136 AromaticContact CE1-CE1 3.54Å; Y134-Y136 HydrophobicContact CE1-CE1 3.54Å; Y134-Y136 HydrophobicContact CE1-CE2 4.31Å; Y134-Y136 HydrophobicContact CE1-CG 4.01Å; Y134-Y136 AromaticContact CE1-CZ 3.94Å; Y134-H140 AromaticContact CE1-CD2 3.9Å; Y134-H140 AromaticContact CE1-NE2 3.71Å; Y134-H140 AromaticContact CE2-CD2 3.93Å; Y134-H140 AromaticContact CE2-NE2 3.81Å; Y134-H140 AromaticContact CZ-CD2 3.34Å; Y134-H140 AromaticContact CZ-CG 3.94Å; Y134-H140 AromaticContact CZ-NE2 3.43Å; Y134-H140 PolarHBondContact OH-CD2 2.99Å; Y134-W148 AromaticContact CD1-CD1 3.8Å; Y134-W148 HydrophobicContact CD2-CB 3.82Å; Y134-W148 AromaticContact CD2-CD1 3.72Å; Y134-W148 HydrophobicContact CD2-CG 4.02Å; Y134-W148 AromaticContact CE1-CD1 3.88Å; Y134-W148 HydrophobicContact CE1-CG 4.3Å; Y134-W148 HydrophobicContact CE2-CB 3.47Å; Y134-W148 VanDerWaalsContact CE2-CB 3.47Å; Y134-W148 AromaticContact CE2-CD1 3.79Å; Y134-W148 AromaticContact CE2-CG 3.71Å; Y134-W148 HydrophobicContact CE2-CG 3.71Å; Y134-W148 AromaticContact CG-CD1 3.72Å; Y134-W148 HydrophobicContact CG-CG 4.43Å; Y134-W148 AromaticContact CZ-CD1 3.86Å; Y134-W148 AromaticContact CZ-CG 3.86Å; Y134-Q208 PolarHBondContact OH-OE1 2.89Å
135	D	92.2	Very high	76.2	Confident	78 Å²	78	77.7 Å²	77.7	42%	0.417	37%	0.371	S	S	.	.			trans	-94.8	104.1	-174.7	-173.6	-2.9	0	0	0	111.4	Q133 E137 V138 H140	Q133-D135 PolarHBondContact O-N 3.49Å; D135-E137 PolarHBondContact O-N 3.45Å; D135-E137 VanDerWaalsContact O-N 3.14Å; D135-E137 WeakPolarHBondContact OD1-CB 3.21Å; D135-E137 PolarHBondContact OD1-N 3.34Å; D135-V138 HydrophobicContact CB-CG2 3.96Å; D135-V138 WeakPolarHBondContact O-CG2 3.48Å; D135-V138 PolarHBondContact O-N 3.44Å; D135-H140 PolarHBondContact O-NE2 3.24Å
136	Y	95.9	Very high	78.7	Confident	30 Å²	30	74.7 Å²	74.7	12%	0.118	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-1.1	179.5	-63.8	-89.8	0	0	0	114	Y134 W148 Q208 K212 I415	Y134-Y136 AromaticContact CD1-CD1 3.9Å; Y134-Y136 HydrophobicContact CD1-CD1 3.9Å; Y134-Y136 AromaticContact CD1-CD2 3.83Å; Y134-Y136 HydrophobicContact CD1-CD2 3.83Å; Y134-Y136 AromaticContact CD1-CE1 3.67Å; Y134-Y136 HydrophobicContact CD1-CE1 3.67Å; Y134-Y136 AromaticContact CD1-CE2 3.62Å; Y134-Y136 HydrophobicContact CD1-CE2 3.62Å; Y134-Y136 AromaticContact CD1-CG 3.98Å; Y134-Y136 HydrophobicContact CD1-CG 3.98Å; Y134-Y136 AromaticContact CD1-CZ 3.54Å; Y134-Y136 AromaticContact CE1-CD1 3.6Å; Y134-Y136 HydrophobicContact CE1-CD1 3.6Å; Y134-Y136 HydrophobicContact CE1-CD2 4.33Å; Y134-Y136 AromaticContact CE1-CE1 3.54Å; Y134-Y136 HydrophobicContact CE1-CE1 3.54Å; Y134-Y136 HydrophobicContact CE1-CE2 4.31Å; Y134-Y136 HydrophobicContact CE1-CG 4.01Å; Y134-Y136 AromaticContact CE1-CZ 3.94Å; Y136-W148 HydrophobicContact CE1-CZ2 4.18Å; Y136-W148 AromaticContact CE1-NE1 3.57Å; Y136-W148 AromaticContact CZ-NE1 3.54Å; Y136-W148 PolarHBondContact OH-NE1 2.9Å; Y136-Q208 HydrophobicContact CD1-CB 4.19Å; Y136-Q208 HydrophobicContact CE1-CB 4.27Å; Y136-Q208 WeakPolarHBondContact CE1-O 3.39Å; Y136-K212 HydrophobicContact CD1-CB 3.95Å; Y136-K212 HydrophobicContact CD1-CD 4.11Å; Y136-K212 HydrophobicContact CD1-CG 4.35Å; Y136-K212 HydrophobicContact CD2-CB 4.36Å; Y136-K212 HydrophobicContact CD2-CD 3.49Å; Y136-K212 VanDerWaalsContact CD2-CD 3.49Å; Y136-K212 HydrophobicContact CD2-CG 3.87Å; Y136-K212 HydrophobicContact CE1-CB 3.56Å; Y136-K212 HydrophobicContact CE1-CD 4.38Å; Y136-K212 HydrophobicContact CE1-CG 4.11Å; Y136-K212 HydrophobicContact CE2-CB 3.98Å; Y136-K212 HydrophobicContact CE2-CD 3.77Å; Y136-K212 HydrophobicContact CE2-CG 3.57Å; Y136-K212 HydrophobicContact CG-CB 4.33Å; Y136-K212 HydrophobicContact CG-CD 3.66Å; Y136-K212 HydrophobicContact CG-CG 4.24Å; Y136-I415 WeakPolarHBondContact O-CG2 3.41Å
137	E	94.8	Very high	80.7	Confident	70 Å²	70	74.2 Å²	74.2	33%	0.327	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	9.9	179.8	-56.4	-172.5	-165.2	0	0	112.6	D135 W209 E412 K416	D135-E137 PolarHBondContact O-N 3.45Å; D135-E137 VanDerWaalsContact O-N 3.14Å; D135-E137 WeakPolarHBondContact OD1-CB 3.21Å; D135-E137 PolarHBondContact OD1-N 3.34Å; E137-W209 HydrophobicContact CG-CH2 4.37Å; E137-W209 HydrophobicContact CG-CZ3 3.84Å; E137-E412 WeakPolarHBondContact O-CB 3.49Å; E137-K416 HydrophobicContact CG-CB 4.15Å; E137-K416 WeakPolarHBondContact OE1-CD 3.34Å; E137-K416 WeakPolarHBondContact OE1-CE 3.41Å; E137-K416 IonicContact OE1-NZ 3.52Å; E137-K416 PolarHBondContact OE1-NZ 3.03Å; E137-K416 IonicContact OE2-NZ 3.37Å
138	V	93.9	Very high	83.4	Confident	27 Å²	27	65.7 Å²	65.7	16%	0.164	32%	0.316	C	S	.	.	S	Bend	trans	-126.4	165.3	173.5	-58.5	0	0	0	0	112.3	D135 E412	D135-V138 HydrophobicContact CB-CG2 3.96Å; D135-V138 WeakPolarHBondContact O-CG2 3.48Å; D135-V138 PolarHBondContact O-N 3.44Å; V138-E412 WeakPolarHBondContact CA-OE1 3.49Å; V138-E412 VanDerWaalsContact CB-OE1 3.26Å; V138-E412 WeakPolarHBondContact CB-OE1 3.45Å
139	Y	96.1	Very high	85.7	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.016	28%	0.281	C	S	.	.			trans	-84.6	142.6	172.9	-63.4	-68.3	0	0	0	111.9	Q119 R126 W201 A205 W248 L410 E412 I415	Q119-Y139 HydrophobicContact CG-CD2 4.05Å; Q119-Y139 HydrophobicContact CG-CE2 4.06Å; R126-Y139 PolarHBondContact NH2-O 3.28Å; Y139-W201 HydrophobicContact CD1-CB 3.64Å; Y139-W201 HydrophobicContact CD1-CE3 4.39Å; Y139-W201 HydrophobicContact CD2-CE3 4.13Å; Y139-W201 HydrophobicContact CE1-CB 3.65Å; Y139-W201 HydrophobicContact CG-CB 4.32Å; Y139-W201 AromaticContact CG-CE3 3.9Å; Y139-W201 HydrophobicContact CG-CE3 3.9Å; Y139-A205 HydrophobicContact CD1-CB 4.27Å; Y139-A205 HydrophobicContact CE1-CB 4.18Å; Y139-W248 WeakPolarHBondContact O-CH2 3.28Å; Y139-L410 VanDerWaalsContact CE2-O 3.24Å; Y139-L410 WeakPolarHBondContact CE2-O 3.27Å; Y139-L410 PolarHBondContact OH-O 2.88Å; Y139-E412 HydrophobicContact CD2-CG 3.66Å; Y139-E412 HydrophobicContact CE2-CG 3.9Å; Y139-E412 PolarHBondContact N-OE1 3.4Å; Y139-I415 HydrophobicContact CD1-CD1 3.9Å; Y139-I415 HydrophobicContact CD2-CD1 4Å; Y139-I415 HydrophobicContact CE1-CD1 3.72Å; Y139-I415 HydrophobicContact CE1-CG1 4.01Å; Y139-I415 HydrophobicContact CE2-CD1 3.8Å; Y139-I415 HydrophobicContact CE2-CG1 4.26Å; Y139-I415 HydrophobicContact CG-CD1 4.06Å
140	H	95.9	Very high	87.9	Confident	13 Å²	13	50.7 Å²	50.7	6%	0.06	26%	0.262	C	S	.	.			trans	-121.1	140.4	-173.6	-74.5	-64.8	0	0	0	113.8	Y134 D135 E144 I145 Y244 W248	Y134-H140 AromaticContact CE1-CD2 3.9Å; Y134-H140 AromaticContact CE1-NE2 3.71Å; Y134-H140 AromaticContact CE2-CD2 3.93Å; Y134-H140 AromaticContact CE2-NE2 3.81Å; Y134-H140 AromaticContact CZ-CD2 3.34Å; Y134-H140 AromaticContact CZ-CG 3.94Å; Y134-H140 AromaticContact CZ-NE2 3.43Å; Y134-H140 PolarHBondContact OH-CD2 2.99Å; D135-H140 PolarHBondContact O-NE2 3.24Å; H140-E144 VanDerWaalsContact CA-OE2 3.31Å; H140-E144 WeakPolarHBondContact CA-OE2 3.08Å; H140-E144 HydrophobicContact CB-CB 4.01Å; H140-E144 IonicContact CG-OE2 3.7Å; H140-E144 IonicContact ND1-OE2 3.86Å; H140-E144 PolarHBondContact ND1-OE2 3.36Å; H140-I145 HydrophobicContact CB-CD1 4.45Å; H140-I145 HydrophobicContact CB-CG1 3.83Å; H140-Y244 WeakPolarHBondContact O-CE1 3.32Å; H140-Y244 PolarHBondContact O-OH 3.34Å; H140-W248 WeakPolarHBondContact O-CZ2 3.24Å; H140-W248 PolarHBondContact O-NE1 3.18Å
141	S	97.1	Very high	90.3	Very high	22 Å²	22	50.8 Å²	50.8	15%	0.154	26%	0.255	C	S	.	.			trans	-66.3	158.2	174.5	94.7	0	0	0	0	110.7	E143 E144 I145	S141-E143 PolarHBondContact O-N 3.32Å; S141-E143 VanDerWaalsContact O-N 3.12Å; S141-E143 PolarHBondContact OG-N 3.05Å; S141-E143 PolarHBondContact OG-OE2 2.76Å; S141-E144 PolarHBondContact N-OE2 3.13Å; S141-E144 WeakPolarHBondContact O-CB 3.29Å; S141-E144 PolarHBondContact O-N 2.91Å; S141-E144 PolarHBondContact OG-N 3.35Å; S141-I145 WeakPolarHBondContact O-CG1 3.29Å; S141-I145 PolarHBondContact O-N 3.48Å
142	L	98.3	Very high	92.7	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-50.6	-41.7	178	178.9	65.5	0	0	0	112.4	I145 Q146 V238 V241 Y244 R245	L142-I145 PolarHBondContact O-N 2.76Å; L142-Q146 HydrophobicContact CD1-CG 4.3Å; L142-Q146 HydrophobicContact CG-CG 4.44Å; L142-Q146 WeakPolarHBondContact O-CB 3.35Å; L142-Q146 WeakPolarHBondContact O-CG 3.38Å; L142-Q146 PolarHBondContact O-N 3.41Å; L142-V238 HydrophobicContact CD1-CB 4.28Å; L142-V238 HydrophobicContact CD1-CG1 4.23Å; L142-V238 HydrophobicContact CD1-CG2 4.31Å; L142-V241 HydrophobicContact CD1-CB 4.02Å; L142-V241 HydrophobicContact CD1-CG1 3.91Å; L142-V241 HydrophobicContact CD2-CB 3.98Å; L142-Y244 HydrophobicContact CB-CD1 4.18Å; L142-R245 HydrophobicContact CB-CB 4.38Å; L142-R245 HydrophobicContact CD2-CB 4.08Å
143	E	96.7	Very high	94.7	Very high	72 Å²	72	42.8 Å²	42.8	34%	0.336	21%	0.208	S	C	.	.	H	α-helix	trans	-66.3	-39.6	-179.4	-60.2	78.5	-172.3	0	0	111.8	S141 Q146 N147 R245	S141-E143 PolarHBondContact O-N 3.32Å; S141-E143 VanDerWaalsContact O-N 3.12Å; S141-E143 PolarHBondContact OG-N 3.05Å; S141-E143 PolarHBondContact OG-OE2 2.76Å; E143-Q146 PolarHBondContact O-N 3.25Å; E143-N147 WeakPolarHBondContact O-CB 3.5Å; E143-N147 VanDerWaalsContact O-CG 3.22Å; E143-N147 PolarHBondContact O-N 2.82Å; E143-N147 PolarHBondContact O-ND2 3.29Å; E143-N147 VanDerWaalsContact O-ND2 3.13Å; E143-R245 WeakPolarHBondContact OE1-CD 3.39Å; E143-R245 IonicContact OE1-CZ 3.26Å; E143-R245 IonicContact OE1-NE 3.45Å; E143-R245 PolarHBondContact OE1-NE 3.27Å; E143-R245 IonicContact OE1-NH2 3.48Å
144	E	96.4	Very high	95.9	Very high	56 Å²	56	46.7 Å²	46.7	26%	0.262	22%	0.218	S	C	.	.	H	α-helix	trans	-64	-44.1	173.7	-67.8	175.8	152.5	0	0	111.1	R126 H140 S141 N147 W148	R126-E144 IonicContact CZ-OE1 3.91Å; R126-E144 IonicContact NH1-OE1 2.74Å; R126-E144 PolarHBondContact NH1-OE1 2.83Å; R126-E144 IonicContact NH1-OE2 2.69Å; R126-E144 PolarHBondContact NH1-OE2 3.28Å; H140-E144 VanDerWaalsContact CA-OE2 3.31Å; H140-E144 WeakPolarHBondContact CA-OE2 3.08Å; H140-E144 HydrophobicContact CB-CB 4.01Å; H140-E144 IonicContact CG-OE2 3.7Å; H140-E144 IonicContact ND1-OE2 3.86Å; H140-E144 PolarHBondContact ND1-OE2 3.36Å; S141-E144 PolarHBondContact N-OE2 3.13Å; S141-E144 WeakPolarHBondContact O-CB 3.29Å; S141-E144 PolarHBondContact O-N 2.91Å; S141-E144 PolarHBondContact OG-N 3.35Å; E144-N147 PolarHBondContact O-N 2.95Å; E144-W148 WeakPolarHBondContact O-CB 3.15Å; E144-W148 PolarHBondContact O-N 3.16Å
145	I	98.5	Very high	96.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-46.6	176	-56	-167.9	0	0	0	110.7	H140 S141 L142 N147 W148 M149 P204 P237 V238 Y244	H140-I145 HydrophobicContact CB-CD1 4.45Å; H140-I145 HydrophobicContact CB-CG1 3.83Å; S141-I145 WeakPolarHBondContact O-CG1 3.29Å; S141-I145 PolarHBondContact O-N 3.48Å; L142-I145 PolarHBondContact O-N 2.76Å; I145-N147 PolarHBondContact O-N 3.31Å; I145-W148 HydrophobicContact CG2-CE3 4.26Å; I145-W148 WeakPolarHBondContact O-CB 3.45Å; I145-W148 PolarHBondContact O-N 3.33Å; I145-M149 HydrophobicContact CG2-SD 4.41Å; I145-M149 WeakPolarHBondContact O-CG 3.16Å; I145-M149 PolarHBondContact O-N 3.03Å; I145-P204 HydrophobicContact CD1-CB 4.14Å; I145-P237 HydrophobicContact CG2-CB 4.04Å; I145-V238 HydrophobicContact CD1-CG2 3.76Å; I145-V238 HydrophobicContact CG2-CG2 4.31Å; I145-Y244 HydrophobicContact CD1-CE1 3.83Å
146	Q	97.6	Very high	96.1	Very high	32 Å²	32	47.5 Å²	47.5	15%	0.15	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-44	-179.2	-74.3	179.7	-19.3	0	0	112	L142 E143 W148 M149 F150 Y175	L142-Q146 HydrophobicContact CD1-CG 4.3Å; L142-Q146 HydrophobicContact CG-CG 4.44Å; L142-Q146 WeakPolarHBondContact O-CB 3.35Å; L142-Q146 WeakPolarHBondContact O-CG 3.38Å; L142-Q146 PolarHBondContact O-N 3.41Å; E143-Q146 PolarHBondContact O-N 3.25Å; Q146-W148 VanDerWaalsContact C-N 3.31Å; Q146-W148 PolarHBondContact O-N 3.03Å; Q146-M149 WeakPolarHBondContact O-CB 3.28Å; Q146-M149 PolarHBondContact O-N 2.85Å; Q146-M149 VanDerWaalsContact O-N 3.16Å; Q146-F150 HydrophobicContact CB-CE2 4.46Å; Q146-F150 WeakPolarHBondContact O-CD2 3.32Å; Q146-F150 PolarHBondContact O-N 2.98Å; Q146-F150 VanDerWaalsContact O-N 3.09Å; Q146-Y175 HydrophobicContact CG-CD2 4.18Å; Q146-Y175 HydrophobicContact CG-CE2 4.41Å
147	N	96.4	Very high	96	Very high	102 Å²	102	49.5 Å²	49.5	55%	0.545	24%	0.237	S	C	.	.	H	α-helix	trans	-58.6	-44.5	174.2	-71.9	-27.6	0	0	0	111.3	E143 E144 I145 M149 F150 E151	E143-N147 WeakPolarHBondContact O-CB 3.5Å; E143-N147 VanDerWaalsContact O-CG 3.22Å; E143-N147 PolarHBondContact O-N 2.82Å; E143-N147 PolarHBondContact O-ND2 3.29Å; E143-N147 VanDerWaalsContact O-ND2 3.13Å; E144-N147 PolarHBondContact O-N 2.95Å; I145-N147 PolarHBondContact O-N 3.31Å; N147-M149 VanDerWaalsContact C-N 3.35Å; N147-M149 PolarHBondContact O-N 3.03Å; N147-F150 PolarHBondContact O-N 3.29Å; N147-E151 WeakPolarHBondContact O-CG 3.44Å; N147-E151 PolarHBondContact O-N 3Å
148	W	97.2	Very high	96	Very high	7 Å²	7	50.8 Å²	50.8	3%	0.027	24%	0.244	C	C	.	.	H	α-helix	trans	-58.5	-42.4	174.1	164.8	85.6	0	0	0	112.8	Y134 Y136 E144 I145 Q146 F150 E151 M152 L177 Q208 V211 P237	Y134-W148 AromaticContact CD1-CD1 3.8Å; Y134-W148 HydrophobicContact CD2-CB 3.82Å; Y134-W148 AromaticContact CD2-CD1 3.72Å; Y134-W148 HydrophobicContact CD2-CG 4.02Å; Y134-W148 AromaticContact CE1-CD1 3.88Å; Y134-W148 HydrophobicContact CE1-CG 4.3Å; Y134-W148 HydrophobicContact CE2-CB 3.47Å; Y134-W148 VanDerWaalsContact CE2-CB 3.47Å; Y134-W148 AromaticContact CE2-CD1 3.79Å; Y134-W148 AromaticContact CE2-CG 3.71Å; Y134-W148 HydrophobicContact CE2-CG 3.71Å; Y134-W148 AromaticContact CG-CD1 3.72Å; Y134-W148 HydrophobicContact CG-CG 4.43Å; Y134-W148 AromaticContact CZ-CD1 3.86Å; Y134-W148 AromaticContact CZ-CG 3.86Å; Y136-W148 HydrophobicContact CE1-CZ2 4.18Å; Y136-W148 AromaticContact CE1-NE1 3.57Å; Y136-W148 AromaticContact CZ-NE1 3.54Å; Y136-W148 PolarHBondContact OH-NE1 2.9Å; E144-W148 WeakPolarHBondContact O-CB 3.15Å; E144-W148 PolarHBondContact O-N 3.16Å; I145-W148 HydrophobicContact CG2-CE3 4.26Å; I145-W148 WeakPolarHBondContact O-CB 3.45Å; I145-W148 PolarHBondContact O-N 3.33Å; Q146-W148 VanDerWaalsContact C-N 3.31Å; Q146-W148 PolarHBondContact O-N 3.03Å; W148-F150 VanDerWaalsContact C-N 3.34Å; W148-F150 PolarHBondContact O-N 2.82Å; W148-E151 PolarHBondContact O-N 2.77Å; W148-M152 HydrophobicContact CD2-CG 4.15Å; W148-M152 HydrophobicContact CG-CG 4.46Å; W148-M152 HydrophobicContact CZ2-CG 3.86Å; W148-M152 WeakPolarHBondContact O-CG 3.39Å; W148-M152 PolarHBondContact O-N 3.36Å; W148-L177 HydrophobicContact CH2-CD1 3.96Å; W148-L177 HydrophobicContact CZ3-CD1 4.04Å; W148-Q208 HydrophobicContact CD2-CG 4.49Å; W148-Q208 HydrophobicContact CE3-CG 4Å; W148-Q208 HydrophobicContact CH2-CB 4.01Å; W148-Q208 HydrophobicContact CH2-CG 3.81Å; W148-Q208 HydrophobicContact CZ2-CB 4.1Å; W148-Q208 HydrophobicContact CZ2-CG 4.29Å; W148-Q208 HydrophobicContact CZ3-CB 4.36Å; W148-Q208 HydrophobicContact CZ3-CG 3.67Å; W148-V211 HydrophobicContact CH2-CB 3.65Å; W148-V211 HydrophobicContact CH2-CG1 3.79Å; W148-V211 HydrophobicContact CH2-CG2 3.82Å; W148-V211 HydrophobicContact CZ2-CB 3.67Å; W148-V211 HydrophobicContact CZ2-CG1 3.59Å; W148-V211 HydrophobicContact CZ2-CG2 4.36Å; W148-P237 HydrophobicContact CZ3-CG 3.98Å
149	M	97.9	Very high	96.1	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.03	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-42.3	176.4	-66.9	176.2	82.7	0	0	112.2	I145 Q146 N147 E151 M152 N153 M162 Y175 L177 P237	I145-M149 HydrophobicContact CG2-SD 4.41Å; I145-M149 WeakPolarHBondContact O-CG 3.16Å; I145-M149 PolarHBondContact O-N 3.03Å; Q146-M149 WeakPolarHBondContact O-CB 3.28Å; Q146-M149 PolarHBondContact O-N 2.85Å; Q146-M149 VanDerWaalsContact O-N 3.16Å; N147-M149 VanDerWaalsContact C-N 3.35Å; N147-M149 PolarHBondContact O-N 3.03Å; M149-E151 VanDerWaalsContact C-N 3.32Å; M149-E151 PolarHBondContact O-N 2.99Å; M149-M152 PolarHBondContact O-N 2.84Å; M149-N153 WeakPolarHBondContact O-CB 3.34Å; M149-N153 PolarHBondContact O-N 2.82Å; M149-N153 VanDerWaalsContact O-N 3.07Å; M149-M162 HydrophobicContact CB-CE 3.84Å; M149-M162 HydrophobicContact CB-SD 4.04Å; M149-Y175 VanDerWaalsContact CE-CB 3.46Å; M149-L177 HydrophobicContact CB-CD1 4.49Å; M149-L177 HydrophobicContact CB-CD2 4.18Å; M149-L177 HydrophobicContact CE-CD1 4.44Å; M149-L177 HydrophobicContact CE-CD2 4.12Å; M149-L177 HydrophobicContact CE-CG 3.75Å; M149-L177 HydrophobicContact CG-CD1 4.23Å; M149-L177 HydrophobicContact CG-CG 4.4Å; M149-P237 HydrophobicContact CE-CG 3.92Å; M149-P237 HydrophobicContact CG-CG 4.42Å; M149-P237 HydrophobicContact SD-CG 4.01Å
150	F	97.1	Very high	96.2	Very high	88 Å²	88	49.6 Å²	49.6	39%	0.386	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-41.5	175.5	-69.9	-64.6	0	0	0	111.5	Q146 N147 W148 N153 R154 M162 Y175	Q146-F150 HydrophobicContact CB-CE2 4.46Å; Q146-F150 WeakPolarHBondContact O-CD2 3.32Å; Q146-F150 PolarHBondContact O-N 2.98Å; Q146-F150 VanDerWaalsContact O-N 3.09Å; N147-F150 PolarHBondContact O-N 3.29Å; W148-F150 VanDerWaalsContact C-N 3.34Å; W148-F150 PolarHBondContact O-N 2.82Å; F150-N153 PolarHBondContact O-N 2.77Å; F150-R154 WeakPolarHBondContact O-CB 3.47Å; F150-R154 PolarHBondContact O-N 3.12Å; F150-M162 HydrophobicContact CD1-CE 3.74Å; F150-M162 HydrophobicContact CD1-SD 3.57Å; F150-M162 VanDerWaalsContact CD1-SD 3.57Å; F150-M162 HydrophobicContact CD2-CE 4.4Å; F150-M162 HydrophobicContact CE1-CE 3.51Å; F150-M162 HydrophobicContact CE1-SD 3.82Å; F150-M162 HydrophobicContact CE2-CE 4.2Å; F150-M162 HydrophobicContact CG-CE 4.19Å; F150-M162 HydrophobicContact CG-SD 4.19Å; F150-M162 HydrophobicContact CZ-CE 3.76Å; F150-Y175 HydrophobicContact CE2-CE2 4.29Å; F150-Y175 HydrophobicContact CZ-CE1 4.49Å; F150-Y175 AromaticContact CZ-CE2 3.84Å; F150-Y175 HydrophobicContact CZ-CE2 3.84Å; F150-Y175 AromaticContact CZ-CZ 3.69Å; F150-Y175 WeakPolarHBondContact CZ-OH 3.35Å
151	E	94.9	Very high	96.3	Very high	71 Å²	71	50.7 Å²	50.7	33%	0.332	24%	0.244	S	C	.	.	H	α-helix	trans	-65.5	-42.9	177.2	-69.9	-57.5	156.9	0	0	112.6	N147 W148 M149 N153 R154 S155	N147-E151 WeakPolarHBondContact O-CG 3.44Å; N147-E151 PolarHBondContact O-N 3Å; W148-E151 PolarHBondContact O-N 2.77Å; M149-E151 VanDerWaalsContact C-N 3.32Å; M149-E151 PolarHBondContact O-N 2.99Å; E151-N153 VanDerWaalsContact C-N 3.3Å; E151-N153 PolarHBondContact O-N 3.48Å; E151-R154 VanDerWaalsContact CD-NH2 3.28Å; E151-R154 PolarHBondContact O-N 2.88Å; E151-R154 IonicContact OE1-CZ 3.65Å; E151-R154 IonicContact OE1-NE 3.88Å; E151-R154 IonicContact OE1-NH2 3.13Å; E151-R154 PolarHBondContact OE1-NH2 2.82Å; E151-R154 VanDerWaalsContact OE1-NH2 3.13Å; E151-R154 IonicContact OE2-CZ 3.24Å; E151-R154 VanDerWaalsContact OE2-CZ 3.24Å; E151-R154 IonicContact OE2-NE 3.08Å; E151-R154 PolarHBondContact OE2-NE 2.8Å; E151-R154 VanDerWaalsContact OE2-NE 3.08Å; E151-R154 IonicContact OE2-NH2 2.67Å; E151-R154 PolarHBondContact OE2-NH2 2.85Å; E151-S155 WeakPolarHBondContact O-CB 3.32Å; E151-S155 PolarHBondContact O-N 2.82Å; E151-S155 PolarHBondContact O-OG 3.38Å
152	M	95.3	Very high	96.4	Very high	19 Å²	19	51 Å²	51	9%	0.094	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-39.6	175.6	-66.2	-57	94.8	0	0	111.9	W148 M149 R154 S155 R156 L177 V211 L215	W148-M152 HydrophobicContact CD2-CG 4.15Å; W148-M152 HydrophobicContact CG-CG 4.46Å; W148-M152 HydrophobicContact CZ2-CG 3.86Å; W148-M152 WeakPolarHBondContact O-CG 3.39Å; W148-M152 PolarHBondContact O-N 3.36Å; M149-M152 PolarHBondContact O-N 2.84Å; M152-R154 VanDerWaalsContact C-N 3.35Å; M152-S155 PolarHBondContact O-OG 2.9Å; M152-R156 PolarHBondContact O-N 2.82Å; M152-L177 HydrophobicContact CB-CD1 4.44Å; M152-V211 HydrophobicContact CG-CG1 4.22Å; M152-L215 HydrophobicContact SD-CD1 3.85Å
153	N	96	Very high	96.4	Very high	54 Å²	54	53.3 Å²	53.3	29%	0.289	26%	0.256	S	S	.	.	H	α-helix	trans	-67.3	-35	176.1	-175.9	69.6	0	0	0	112.8	M149 F150 E151 V160 T161 M162	M149-N153 WeakPolarHBondContact O-CB 3.34Å; M149-N153 PolarHBondContact O-N 2.82Å; M149-N153 VanDerWaalsContact O-N 3.07Å; F150-N153 PolarHBondContact O-N 2.77Å; E151-N153 VanDerWaalsContact C-N 3.3Å; E151-N153 PolarHBondContact O-N 3.48Å; N153-V160 HydrophobicContact CB-CG1 4.29Å; N153-T161 WeakPolarHBondContact OD1-CA 3.37Å; N153-M162 HydrophobicContact CB-CB 3.83Å; N153-M162 HydrophobicContact CB-SD 4.5Å; N153-M162 PolarHBondContact OD1-N 3.38Å
154	R	95.6	Very high	96.4	Very high	176 Å²	176	53.3 Å²	53.3	66%	0.664	26%	0.263	S	S	*	.	H	α-helix	trans	-77.1	-41.2	179.8	-175.8	175.6	70.7	147.3	1.1	112.9	F150 E151 M152	F150-R154 WeakPolarHBondContact O-CB 3.47Å; F150-R154 PolarHBondContact O-N 3.12Å; E151-R154 VanDerWaalsContact CD-NH2 3.28Å; E151-R154 PolarHBondContact O-N 2.88Å; E151-R154 IonicContact OE1-CZ 3.65Å; E151-R154 IonicContact OE1-NE 3.88Å; E151-R154 IonicContact OE1-NH2 3.13Å; E151-R154 PolarHBondContact OE1-NH2 2.82Å; E151-R154 VanDerWaalsContact OE1-NH2 3.13Å; E151-R154 IonicContact OE2-CZ 3.24Å; E151-R154 VanDerWaalsContact OE2-CZ 3.24Å; E151-R154 IonicContact OE2-NE 3.08Å; E151-R154 PolarHBondContact OE2-NE 2.8Å; E151-R154 VanDerWaalsContact OE2-NE 3.08Å; E151-R154 IonicContact OE2-NH2 2.67Å; E151-R154 PolarHBondContact OE2-NH2 2.85Å; M152-R154 VanDerWaalsContact C-N 3.35Å
155	S	93.3	Very high	96.5	Very high	37 Å²	37	52.3 Å²	52.3	26%	0.259	26%	0.259	S	S	.	.	H	α-helix	trans	-81.4	-26.9	-173.9	55.7	0	0	0	0	113.7	E131 E151 M152 P157	E131-S155 WeakPolarHBondContact OE1-CB 3.43Å; E151-S155 WeakPolarHBondContact O-CB 3.32Å; E151-S155 PolarHBondContact O-N 2.82Å; E151-S155 PolarHBondContact O-OG 3.38Å; M152-S155 PolarHBondContact O-OG 2.9Å; S155-P157 VanDerWaalsContact C-CD 3.43Å
156	R	93.3	Very high	96.5	Very high	107 Å²	107	53.6 Å²	53.6	40%	0.404	27%	0.273	S	S	.	.			trans	-129.4	50.5	-176.4	-58.7	-66.2	-175.6	170.1	-0.3	113.6	M152 E158 L159 V160 L215	M152-R156 PolarHBondContact O-N 2.82Å; R156-E158 VanDerWaalsContact CA-OE2 3.26Å; R156-E158 WeakPolarHBondContact CA-OE2 3.5Å; R156-E158 PolarHBondContact O-N 2.89Å; R156-L159 PolarHBondContact O-N 2.86Å; R156-V160 HydrophobicContact CB-CG2 3.88Å; R156-V160 WeakPolarHBondContact O-CB 3.45Å; R156-V160 PolarHBondContact O-N 3.47Å; R156-L215 HydrophobicContact CB-CD1 4.47Å; R156-L215 HydrophobicContact CB-CD2 4.24Å; R156-L215 HydrophobicContact CG-CD1 4.19Å; R156-L215 HydrophobicContact CG-CD2 4.38Å
157	P	94.6	Very high	96.5	Very high	71 Å²	71	59 Å²	59	46%	0.461	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.9	-174.4	29.2	-37	0	0	0	114.1	S155 L159	S155-P157 VanDerWaalsContact C-CD 3.43Å; P157-L159 VanDerWaalsContact C-N 3.33Å
158	E	94.1	Very high	96.7	Very high	98 Å²	98	54.4 Å²	54.4	46%	0.458	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-20.2	175.5	77.8	-67	173.3	0	0	113.7	R156	R156-E158 VanDerWaalsContact CA-OE2 3.26Å; R156-E158 WeakPolarHBondContact CA-OE2 3.5Å; R156-E158 PolarHBondContact O-N 2.89Å
159	L	96.7	Very high	96.7	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.026	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-24.6	178.8	-70.1	173.9	0	0	0	113.8	R156 P157 L179 G180 K181 L215 Y218	R156-L159 PolarHBondContact O-N 2.86Å; P157-L159 VanDerWaalsContact C-N 3.33Å; L159-L179 CarbonylContact O-C 3.56Å; L159-L179 VanDerWaalsContact O-CA 3.28Å; L159-L179 WeakPolarHBondContact O-CA 3.35Å; L159-G180 PolarHBondContact O-N 3.36Å; L159-K181 HydrophobicContact CD2-CB 4.48Å; L159-L215 HydrophobicContact CB-CD2 3.9Å; L159-L215 HydrophobicContact CD1-CD2 3.97Å; L159-Y218 HydrophobicContact CD1-CD1 3.5Å; L159-Y218 VanDerWaalsContact CD1-CD1 3.5Å; L159-Y218 HydrophobicContact CD1-CE1 4.04Å; L159-Y218 HydrophobicContact CD1-CG 3.77Å; L159-Y218 HydrophobicContact CD2-CD1 4.16Å; L159-Y218 HydrophobicContact CD2-CD2 4.5Å; L159-Y218 HydrophobicContact CD2-CE1 3.89Å; L159-Y218 HydrophobicContact CD2-CE2 4.27Å; L159-Y218 HydrophobicContact CD2-CG 4.44Å; L159-Y218 HydrophobicContact CG-CD1 4.33Å; L159-Y218 HydrophobicContact CG-CE1 4.39Å
160	V	98.2	Very high	96.8	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138	-171.9	-173.9	0	0	0	0	110.3	N153 R156 L177 Q178 L179 L215	N153-V160 HydrophobicContact CB-CG1 4.29Å; R156-V160 HydrophobicContact CB-CG2 3.88Å; R156-V160 WeakPolarHBondContact O-CB 3.45Å; R156-V160 PolarHBondContact O-N 3.47Å; V160-L177 HydrophobicContact CG1-CB 4.47Å; V160-L177 HydrophobicContact CG1-CD2 3.9Å; V160-Q178 CarbonylContact C-O 3.4Å; V160-Q178 WeakPolarHBondContact CA-O 3.31Å; V160-L179 HydrophobicContact CB-CD2 4.49Å; V160-L179 HydrophobicContact CG1-CD2 4.26Å; V160-L179 HydrophobicContact CG2-CD2 3.84Å; V160-L215 HydrophobicContact CG2-CD1 3.87Å; V160-L215 HydrophobicContact CG2-CD2 3.56Å; V160-L215 HydrophobicContact CG2-CG 4.32Å
161	T	97.9	Very high	96.8	Very high	35 Å²	35	60 Å²	60	22%	0.215	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	120.4	166.6	-64.4	0	0	0	0	109.2	N153 L163 Q178 R182	N153-T161 WeakPolarHBondContact OD1-CA 3.37Å; T161-L163 HydrophobicContact CG2-CD2 4.12Å; T161-Q178 PolarHBondContact N-O 2.82Å; T161-Q178 PolarHBondContact O-N 3.36Å; T161-R182 PolarHBondContact OG1-NH2 2.69Å
162	M	98	Very high	97	Very high	28 Å²	28	58.7 Å²	58.7	14%	0.138	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.2	177.9	-173.1	172.7	177.7	0	0	111	M149 F150 N153 Y175 V176 L177	M149-M162 HydrophobicContact CB-CE 3.84Å; M149-M162 HydrophobicContact CB-SD 4.04Å; F150-M162 HydrophobicContact CD1-CE 3.74Å; F150-M162 HydrophobicContact CD1-SD 3.57Å; F150-M162 VanDerWaalsContact CD1-SD 3.57Å; F150-M162 HydrophobicContact CD2-CE 4.4Å; F150-M162 HydrophobicContact CE1-CE 3.51Å; F150-M162 HydrophobicContact CE1-SD 3.82Å; F150-M162 HydrophobicContact CE2-CE 4.2Å; F150-M162 HydrophobicContact CG-CE 4.19Å; F150-M162 HydrophobicContact CG-SD 4.19Å; F150-M162 HydrophobicContact CZ-CE 3.76Å; N153-M162 HydrophobicContact CB-CB 3.83Å; N153-M162 HydrophobicContact CB-SD 4.5Å; N153-M162 PolarHBondContact OD1-N 3.38Å; M162-Y175 HydrophobicContact CE-CD1 3.4Å; M162-Y175 HydrophobicContact CE-CD2 3.44Å; M162-Y175 VanDerWaalsContact CE-CD2 3.44Å; M162-Y175 HydrophobicContact CE-CE1 3.72Å; M162-Y175 HydrophobicContact CE-CE2 3.75Å; M162-Y175 HydrophobicContact CE-CG 3.26Å; M162-Y175 HydrophobicContact CG-CD1 4.39Å; M162-V176 CarbonylContact C-O 3.48Å; M162-V176 WeakPolarHBondContact CA-O 3.29Å; M162-L177 HydrophobicContact CB-CD2 3.87Å; M162-L177 HydrophobicContact CG-CD2 3.99Å; M162-L177 HydrophobicContact SD-CD2 4.49Å
163	L	97.7	Very high	97.2	Very high	54 Å²	54	59.3 Å²	59.3	28%	0.283	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.2	-179.1	-56.6	174.3	0	0	0	109.6	T161 Y175 V176 F234 F310	T161-L163 HydrophobicContact CG2-CD2 4.12Å; L163-Y175 CarbonylContact O-C 3.56Å; L163-Y175 VanDerWaalsContact O-CA 3.31Å; L163-Y175 WeakPolarHBondContact O-CA 3.36Å; L163-V176 PolarHBondContact N-O 2.93Å; L163-V176 PolarHBondContact O-N 3.47Å; L163-F234 HydrophobicContact CD1-CD1 4.35Å; L163-F234 HydrophobicContact CD1-CE1 4.01Å; L163-F310 HydrophobicContact CD1-CE2 4.34Å
164	S	97.9	Very high	97.3	Very high	71 Å²	71	56.8 Å²	56.8	50%	0.497	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.7	166	-178.2	0	0	0	0	109.5	G166 L174	S164-G166 PolarHBondContact OG-O 2.85Å; S164-L174 WeakPolarHBondContact CA-O 3.33Å
165	L	98.4	Very high	97.4	Very high	35 Å²	35	50.8 Å²	50.8	18%	0.183	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-10.7	-179.7	-59	-168.2	0	0	0	113.4	L174 V176 W191 A306 V307 F310	L165-L174 HydrophobicContact CB-CB 4.47Å; L165-L174 PolarHBondContact N-O 3.44Å; L165-V176 HydrophobicContact CD1-CG2 3.59Å; L165-V176 HydrophobicContact CD2-CG2 4.42Å; L165-V176 HydrophobicContact CG-CG2 3.77Å; L165-W191 HydrophobicContact CD1-CH2 3.75Å; L165-W191 HydrophobicContact CD1-CZ3 4.21Å; L165-A306 HydrophobicContact CB-CB 4.21Å; L165-V307 HydrophobicContact CD1-CG2 4.24Å; L165-F310 HydrophobicContact CD1-CB 3.93Å; L165-F310 HydrophobicContact CD1-CD2 4.38Å; L165-F310 HydrophobicContact CD1-CG 4.04Å; L165-F310 HydrophobicContact CD2-CB 4.14Å; L165-F310 HydrophobicContact CD2-CD2 3.36Å; L165-F310 HydrophobicContact CD2-CE2 3.93Å; L165-F310 HydrophobicContact CD2-CG 3.87Å
166	G	98	Very high	97.7	Very high	29 Å²	29	49 Å²	49	30%	0.299	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	148.1	-153.1	-174.1	0	0	0	0	0	111.4	S164 L174	S164-G166 PolarHBondContact OG-O 2.85Å; G166-L174 PolarHBondContact O-N 3.46Å
167	K	98.8	Very high	98	Very high	144 Å²	144	43.9 Å²	43.9	63%	0.626	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.2	177.8	-64.9	-178.4	176.6	-173.5	0	110.4	R172	K167-R172 CarbonylContact C-O 3.5Å; K167-R172 WeakPolarHBondContact CA-O 3.42Å
168	S	98.8	Very high	98.2	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.042	23%	0.225	C	C	.	.			trans	-69	177	168.9	68.6	0	0	0	0	112	E170 G171 R172 V241 D242 E303	S168-E170 VanDerWaalsContact C-N 3.33Å; S168-E170 PolarHBondContact O-N 3.5Å; S168-G171 PolarHBondContact O-N 3.32Å; S168-G171 PolarHBondContact OG-N 2.94Å; S168-R172 PolarHBondContact N-O 2.78Å; S168-R172 WeakPolarHBondContact OG-CB 3.37Å; S168-R172 PolarHBondContact OG-N 3.35Å; S168-R172 PolarHBondContact OG-O 3.44Å; S168-V241 VanDerWaalsContact CB-CG2 3.45Å; S168-D242 VanDerWaalsContact CB-CG 3.48Å; S168-D242 VanDerWaalsContact CB-OD1 3.28Å; S168-D242 WeakPolarHBondContact CB-OD1 3.43Å; S168-D242 VanDerWaalsContact CB-OD2 3.27Å; S168-D242 WeakPolarHBondContact CB-OD2 3.46Å; S168-D242 PolarHBondContact OG-OD1 3.08Å; S168-D242 PolarHBondContact OG-OD2 3.38Å; S168-D242 VanDerWaalsContact OG-OD2 3.06Å; S168-E303 WeakPolarHBondContact CA-OE1 3.14Å; S168-E303 VanDerWaalsContact CB-OE1 3.22Å; S168-E303 WeakPolarHBondContact CB-OE1 3.49Å
169	Y	98.7	Very high	98.4	Very high	99 Å²	99	38.1 Å²	38.1	39%	0.388	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-41.9	177.1	-176.5	-89.6	0	0	0	112.9	G171 D242 K260 E303	Y169-G171 PolarHBondContact O-N 2.92Å; Y169-D242 PolarHBondContact N-OD2 2.99Å; Y169-K260 HydrophobicContact CE1-CB 4.49Å; Y169-K260 HydrophobicContact CE1-CD 4.47Å; Y169-K260 HydrophobicContact CE1-CG 4.01Å; Y169-K260 WeakPolarHBondContact OH-CB 3.18Å; Y169-K260 PolarHBondContact OH-N 3.33Å; Y169-E303 PolarHBondContact N-OE1 3.36Å
170	E	98.7	Very high	98.4	Very high	80 Å²	80	38.1 Å²	38.1	37%	0.374	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	12.8	176.4	-59.7	-174.9	168.2	0	0	112.8	S168 R172 D242 R258	S168-E170 VanDerWaalsContact C-N 3.33Å; S168-E170 PolarHBondContact O-N 3.5Å; E170-R172 IonicContact OE2-CZ 3.72Å; E170-R172 VanDerWaalsContact OE2-CZ 3.32Å; E170-R172 IonicContact OE2-NH1 3.73Å; E170-R172 PolarHBondContact OE2-NH1 3.47Å; E170-R172 IonicContact OE2-NH2 3.71Å; E170-R172 PolarHBondContact OE2-NH2 2.96Å; E170-D242 WeakPolarHBondContact CB-OD2 3.46Å; E170-D242 HydrophobicContact CG-CB 4.33Å; E170-D242 WeakPolarHBondContact CG-OD2 3.05Å; E170-D242 PolarHBondContact N-OD2 3.37Å; E170-R258 HydrophobicContact CG-CB 4.3Å
171	G	98.6	Very high	98.3	Very high	39 Å²	39	43.5 Å²	43.5	40%	0.402	23%	0.228	S	C	.	.	S	Bend	trans	84.5	11.4	170.1	0	0	0	0	0	115.7	S168 Y169	S168-G171 PolarHBondContact O-N 3.32Å; S168-G171 PolarHBondContact OG-N 2.94Å; Y169-G171 PolarHBondContact O-N 2.92Å
172	R	98.6	Very high	97.9	Very high	45 Å²	45	50.4 Å²	50.4	17%	0.17	25%	0.25	C	S	.	.			trans	-81.2	141.5	179.1	-59.8	-171.7	-176.2	81	8.2	111.1	K167 S168 E170 V241 D242 R245	K167-R172 CarbonylContact C-O 3.5Å; K167-R172 WeakPolarHBondContact CA-O 3.42Å; S168-R172 PolarHBondContact N-O 2.78Å; S168-R172 WeakPolarHBondContact OG-CB 3.37Å; S168-R172 PolarHBondContact OG-N 3.35Å; S168-R172 PolarHBondContact OG-O 3.44Å; E170-R172 IonicContact OE2-CZ 3.72Å; E170-R172 VanDerWaalsContact OE2-CZ 3.32Å; E170-R172 IonicContact OE2-NH1 3.73Å; E170-R172 PolarHBondContact OE2-NH1 3.47Å; E170-R172 IonicContact OE2-NH2 3.71Å; E170-R172 PolarHBondContact OE2-NH2 2.96Å; R172-V241 HydrophobicContact CB-CG2 3.83Å; R172-D242 IonicContact CZ-OD1 2.68Å; R172-D242 VanDerWaalsContact NH1-CG 3.33Å; R172-D242 IonicContact NH1-OD1 3.94Å; R172-D242 PolarHBondContact NH1-OD1 3.41Å; R172-R245 VanDerWaalsContact NH2-NH1 3.16Å
173	P	98.4	Very high	97.6	Very high	32 Å²	32	51.7 Å²	51.7	21%	0.208	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	142.4	-179.6	28	-35.8	0	0	0	112.3	Y175	P173-Y175 HydrophobicContact CB-CD1 4.36Å; P173-Y175 HydrophobicContact CB-CD2 4.17Å; P173-Y175 HydrophobicContact CB-CE1 3.82Å; P173-Y175 HydrophobicContact CB-CE2 3.6Å; P173-Y175 HydrophobicContact CG-CD2 4.04Å; P173-Y175 HydrophobicContact CG-CE1 4.34Å; P173-Y175 HydrophobicContact CG-CE2 3.24Å; P173-Y175 VanDerWaalsContact CG-CZ 3.41Å; P173-Y175 WeakPolarHBondContact CG-OH 3.45Å
174	L	98.9	Very high	97.1	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	95.4	176.8	-59.9	176.8	0	0	0	109.6	S164 L165 G166 M236 V241 E303 A306	S164-L174 WeakPolarHBondContact CA-O 3.33Å; L165-L174 HydrophobicContact CB-CB 4.47Å; L165-L174 PolarHBondContact N-O 3.44Å; G166-L174 PolarHBondContact O-N 3.46Å; L174-M236 HydrophobicContact CB-CE 3.91Å; L174-M236 HydrophobicContact CD2-CE 4.16Å; L174-V241 HydrophobicContact CD2-CG1 4.24Å; L174-V241 HydrophobicContact CD2-CG2 3.75Å; L174-E303 HydrophobicContact CD1-CB 4.42Å; L174-E303 HydrophobicContact CD1-CG 4.42Å; L174-E303 HydrophobicContact CD2-CG 4.05Å; L174-A306 HydrophobicContact CD1-CB 3.73Å
175	Y	98.8	Very high	96.6	Very high	50 Å²	50	62.8 Å²	62.8	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	147.2	-173.4	-65.8	-56.2	0	0	0	113.8	Q146 M149 F150 M162 L163 P173	Q146-Y175 HydrophobicContact CG-CD2 4.18Å; Q146-Y175 HydrophobicContact CG-CE2 4.41Å; M149-Y175 VanDerWaalsContact CE-CB 3.46Å; F150-Y175 HydrophobicContact CE2-CE2 4.29Å; F150-Y175 HydrophobicContact CZ-CE1 4.49Å; F150-Y175 AromaticContact CZ-CE2 3.84Å; F150-Y175 HydrophobicContact CZ-CE2 3.84Å; F150-Y175 AromaticContact CZ-CZ 3.69Å; F150-Y175 WeakPolarHBondContact CZ-OH 3.35Å; M162-Y175 HydrophobicContact CE-CD1 3.4Å; M162-Y175 HydrophobicContact CE-CD2 3.44Å; M162-Y175 VanDerWaalsContact CE-CD2 3.44Å; M162-Y175 HydrophobicContact CE-CE1 3.72Å; M162-Y175 HydrophobicContact CE-CE2 3.75Å; M162-Y175 HydrophobicContact CE-CG 3.26Å; M162-Y175 HydrophobicContact CG-CD1 4.39Å; L163-Y175 CarbonylContact O-C 3.56Å; L163-Y175 VanDerWaalsContact O-CA 3.31Å; L163-Y175 WeakPolarHBondContact O-CA 3.36Å; P173-Y175 HydrophobicContact CB-CD1 4.36Å; P173-Y175 HydrophobicContact CB-CD2 4.17Å; P173-Y175 HydrophobicContact CB-CE1 3.82Å; P173-Y175 HydrophobicContact CB-CE2 3.6Å; P173-Y175 HydrophobicContact CG-CD2 4.04Å; P173-Y175 HydrophobicContact CG-CE1 4.34Å; P173-Y175 HydrophobicContact CG-CE2 3.24Å; P173-Y175 VanDerWaalsContact CG-CZ 3.41Å; P173-Y175 WeakPolarHBondContact CG-OH 3.45Å
176	V	98.8	Very high	96.2	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.6	175.1	178.1	0	0	0	0	108.8	M162 L163 L165 W191 F234 I235 M236	M162-V176 CarbonylContact C-O 3.48Å; M162-V176 WeakPolarHBondContact CA-O 3.29Å; L163-V176 PolarHBondContact N-O 2.93Å; L163-V176 PolarHBondContact O-N 3.47Å; L165-V176 HydrophobicContact CD1-CG2 3.59Å; L165-V176 HydrophobicContact CD2-CG2 4.42Å; L165-V176 HydrophobicContact CG-CG2 3.77Å; V176-W191 HydrophobicContact CG1-CH2 4.43Å; V176-W191 HydrophobicContact CG1-CZ3 4.09Å; V176-W191 HydrophobicContact CG2-CH2 3.69Å; V176-W191 HydrophobicContact CG2-CZ3 4.05Å; V176-F234 HydrophobicContact CG1-CB 3.96Å; V176-F234 HydrophobicContact CG1-CD1 4.15Å; V176-I235 CarbonylContact C-O 3.51Å; V176-I235 WeakPolarHBondContact CA-O 3.25Å; V176-I235 WeakPolarHBondContact CG1-O 3.44Å; V176-M236 HydrophobicContact CG2-CB 4.09Å; V176-M236 HydrophobicContact CG2-CG 4.17Å; V176-M236 HydrophobicContact CG2-SD 4.44Å
177	L	98.8	Very high	96.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.9	167.5	-62.2	178.7	0	0	0	109.2	W148 M149 M152 V160 M162 L179 V211 I235	W148-L177 HydrophobicContact CH2-CD1 3.96Å; W148-L177 HydrophobicContact CZ3-CD1 4.04Å; M149-L177 HydrophobicContact CB-CD1 4.49Å; M149-L177 HydrophobicContact CB-CD2 4.18Å; M149-L177 HydrophobicContact CE-CD1 4.44Å; M149-L177 HydrophobicContact CE-CD2 4.12Å; M149-L177 HydrophobicContact CE-CG 3.75Å; M149-L177 HydrophobicContact CG-CD1 4.23Å; M149-L177 HydrophobicContact CG-CG 4.4Å; M152-L177 HydrophobicContact CB-CD1 4.44Å; V160-L177 HydrophobicContact CG1-CB 4.47Å; V160-L177 HydrophobicContact CG1-CD2 3.9Å; M162-L177 HydrophobicContact CB-CD2 3.87Å; M162-L177 HydrophobicContact CG-CD2 3.99Å; M162-L177 HydrophobicContact SD-CD2 4.49Å; L177-L179 HydrophobicContact CB-CD2 4.18Å; L177-V211 HydrophobicContact CD1-CG1 4.07Å; L177-V211 HydrophobicContact CD1-CG2 4.1Å; L177-I235 PolarHBondContact N-O 2.86Å; L177-I235 PolarHBondContact O-N 2.98Å
178	Q	98.5	Very high	96	Very high	48 Å²	48	61.7 Å²	61.7	22%	0.224	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.5	163.5	-178.6	-177.8	-11.8	0	0	108.6	V160 T161 D232 F233 F234	V160-Q178 CarbonylContact C-O 3.4Å; V160-Q178 WeakPolarHBondContact CA-O 3.31Å; T161-Q178 PolarHBondContact N-O 2.82Å; T161-Q178 PolarHBondContact O-N 3.36Å; Q178-D232 HydrophobicContact CG-CB 4.44Å; Q178-D232 PolarHBondContact NE2-OD1 3.45Å; Q178-F233 CarbonylContact C-O 3.59Å; Q178-F233 WeakPolarHBondContact CA-O 2.99Å; Q178-F234 HydrophobicContact CB-CD1 3.9Å; Q178-F234 HydrophobicContact CB-CE1 3.72Å; Q178-F234 HydrophobicContact CG-CD1 4.11Å; Q178-F234 HydrophobicContact CG-CE1 3.62Å; Q178-F234 HydrophobicContact CG-CZ 4.03Å
179	L	98.5	Very high	95.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.7	174.1	-46	-179.1	0	0	0	110.8	L159 V160 L177 F210 V211 A214 L228 D232 F233 I235	L159-L179 CarbonylContact O-C 3.56Å; L159-L179 VanDerWaalsContact O-CA 3.28Å; L159-L179 WeakPolarHBondContact O-CA 3.35Å; V160-L179 HydrophobicContact CB-CD2 4.49Å; V160-L179 HydrophobicContact CG1-CD2 4.26Å; V160-L179 HydrophobicContact CG2-CD2 3.84Å; L177-L179 HydrophobicContact CB-CD2 4.18Å; L179-F210 HydrophobicContact CD1-CD1 4.24Å; L179-F210 HydrophobicContact CD1-CE1 4.03Å; L179-V211 HydrophobicContact CD1-CB 4.44Å; L179-V211 HydrophobicContact CD1-CG2 3.96Å; L179-V211 HydrophobicContact CD2-CG1 4.3Å; L179-V211 HydrophobicContact CD2-CG2 4.48Å; L179-A214 HydrophobicContact CD1-CB 3.93Å; L179-L228 HydrophobicContact CB-CD2 4.03Å; L179-D232 CarbonylContact O-C 3.54Å; L179-D232 WeakPolarHBondContact O-CA 3.32Å; L179-F233 HydrophobicContact CB-CB 4.24Å; L179-F233 PolarHBondContact N-O 2.75Å; L179-F233 PolarHBondContact O-N 3.27Å; L179-I235 HydrophobicContact CD1-CG1 3.97Å; L179-I235 HydrophobicContact CG-CG1 4.21Å
180	G	97.3	Very high	95.9	Very high	5 Å²	5	57 Å²	57	5%	0.052	28%	0.279	C	S	.	.	S	Bend	trans	140.9	156.8	170.8	0	0	0	0	0	112.5	L159 R182 L228	L159-G180 PolarHBondContact O-N 3.36Å; G180-R182 PolarHBondContact O-N 2.9Å; G180-L228 WeakPolarHBondContact CA-O 3.16Å
181	K	95.6	Very high	95.9	Very high	113 Å²	113	53.2 Å²	53.2	49%	0.491	26%	0.262	S	S	.	.			trans	-67.3	127.3	178.3	-169.6	170.5	-171.9	171.9	0	110.1	L159 S183 K187 L228	L159-K181 HydrophobicContact CD2-CB 4.48Å; K181-S183 PolarHBondContact O-N 3.17Å; K181-K187 WeakPolarHBondContact O-CE 3.41Å; K181-K187 PolarHBondContact O-NZ 2.97Å; K181-L228 PolarHBondContact N-O 2.91Å
182	R	91.1	Very high	95.9	Very high	180 Å²	180	51.4 Å²	51.4	68%	0.679	24%	0.243	S	C	*	.			trans	-57.6	134.1	176.3	-66.5	-178.8	177.4	171.6	1.4	110.3	T161 G180	T161-R182 PolarHBondContact OG1-NH2 2.69Å; G180-R182 PolarHBondContact O-N 2.9Å
183	S	90.5	Very high	96	Very high	56 Å²	56	49.2 Å²	49.2	39%	0.392	24%	0.235	S	C	.	.			trans	-143.4	157.3	175.9	71.3	0	0	0	0	111.4	K181 P185 K187	K181-S183 PolarHBondContact O-N 3.17Å; S183-P185 CarbonylContact C-O 3.51Å; S183-P185 PolarHBondContact OG-O 3.31Å; S183-K187 VanDerWaalsContact OG-CG 3.25Å; S183-K187 WeakPolarHBondContact OG-CG 3.36Å
184	R	87.6	Confident	96	Very high	248 Å²	248	47.7 Å²	47.7	94%	0.936	23%	0.225	S	C	*	.	S	Bend	trans	-127.5	125	164.8	-68.3	-174.5	177.5	-177	0.2	107.2
185	P	88	Confident	96	Very high	109 Å²	109	47.8 Å²	47.8	71%	0.708	23%	0.225	S	C	*	.	S	Bend	cis	-69.8	169.2	2.8	31.2	-36.9	0	0	0	114.3	S183	S183-P185 CarbonylContact C-O 3.51Å; S183-P185 PolarHBondContact OG-O 3.31Å
186	P	90.3	Very high	96	Very high	85 Å²	85	45.5 Å²	45.5	55%	0.552	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-60	138.2	176.5	-22.3	32.9	0	0	0	112.9
187	K	94.9	Very high	96	Very high	16 Å²	16	45.7 Å²	45.7	7%	0.07	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-73.6	168.8	179.4	-68	171	-61.6	164.6	0	111.6	K181 S183 L228 N229 H230 L231 D232	K181-K187 WeakPolarHBondContact O-CE 3.41Å; K181-K187 PolarHBondContact O-NZ 2.97Å; S183-K187 VanDerWaalsContact OG-CG 3.25Å; S183-K187 WeakPolarHBondContact OG-CG 3.36Å; K187-L228 PolarHBondContact NZ-O 3.31Å; K187-N229 WeakPolarHBondContact CD-O 3.46Å; K187-H230 WeakPolarHBondContact CB-O 3.08Å; K187-L231 PolarHBondContact NZ-O 3.07Å; K187-D232 WeakPolarHBondContact CE-OD1 3.46Å; K187-D232 VanDerWaalsContact CE-OD2 3.3Å; K187-D232 WeakPolarHBondContact CE-OD2 3.42Å; K187-D232 IonicContact NZ-OD1 3.31Å; K187-D232 PolarHBondContact NZ-OD1 3.16Å; K187-D232 IonicContact NZ-OD2 2.77Å
188	K	96.6	Very high	96	Very high	84 Å²	84	45.7 Å²	45.7	37%	0.365	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	149.2	159.8	-66.4	172.8	-179.9	176.9	0	108.3	L231 D232 H317 K319 L433	K188-L231 HydrophobicContact CB-CD2 3.67Å; K188-L231 CarbonylContact O-C 3.58Å; K188-L231 VanDerWaalsContact O-CA 3.28Å; K188-L231 WeakPolarHBondContact O-CA 3.39Å; K188-D232 PolarHBondContact O-N 3.26Å; K188-H317 WeakPolarHBondContact CA-O 3.44Å; K188-K319 HydrophobicContact CB-CG 3.88Å; K188-K319 HydrophobicContact CD-CG 4.02Å; K188-K319 HydrophobicContact CG-CG 3.83Å; K188-L433 PolarHBondContact NZ-O 3.26Å
189	S	97.4	Very high	96	Very high	7 Å²	7	43.5 Å²	43.5	5%	0.049	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.2	-178	-45.1	0	0	0	0	112.3	D232 H317 K319	S189-D232 CarbonylContact C-O 3.57Å; S189-D232 WeakPolarHBondContact CA-O 3.18Å; S189-D232 WeakPolarHBondContact CB-O 3.5Å; S189-H317 PolarHBondContact N-O 3.2Å; S189-K319 PolarHBondContact O-N 3.06Å
190	M	98.4	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.4	176.3	178	166.6	-174.1	0	0	108.8	I192 D232 F233 F234 A320 I322 V426 I429 A430 L433	M190-I192 HydrophobicContact CE-CD1 4.17Å; M190-I192 HydrophobicContact CE-CG1 4.28Å; M190-I192 HydrophobicContact CG-CG1 4.21Å; M190-D232 PolarHBondContact N-O 2.74Å; M190-F233 HydrophobicContact CB-CD1 4.03Å; M190-F233 HydrophobicContact CB-CE1 4.32Å; M190-F233 HydrophobicContact CG-CD1 4.22Å; M190-F233 HydrophobicContact CG-CE1 4.45Å; M190-F233 CarbonylContact O-C 3.57Å; M190-F233 WeakPolarHBondContact O-CA 3.29Å; M190-F233 HydrophobicContact SD-CD1 4.05Å; M190-F233 HydrophobicContact SD-CE1 3.72Å; M190-F234 PolarHBondContact O-N 2.85Å; M190-A320 WeakPolarHBondContact CA-O 3.5Å; M190-A320 HydrophobicContact CB-CB 4.34Å; M190-A320 HydrophobicContact CE-CB 4.28Å; M190-A320 HydrophobicContact CG-CB 3.84Å; M190-A320 HydrophobicContact SD-CB 4.21Å; M190-I322 HydrophobicContact CE-CB 4.47Å; M190-I322 HydrophobicContact CE-CD1 3Å; M190-I322 HydrophobicContact CE-CG1 3.48Å; M190-I322 VanDerWaalsContact CE-CG1 3.48Å; M190-V426 HydrophobicContact CE-CG1 4.1Å; M190-I429 HydrophobicContact CE-CG2 4.14Å; M190-A430 HydrophobicContact SD-CB 4.02Å; M190-L433 HydrophobicContact CB-CD1 4.5Å; M190-L433 HydrophobicContact SD-CD1 4.18Å
191	W	98.9	Very high	96.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135	173.9	176.8	-84.8	0	0	0	109.7	L165 V176 D193 F234 M236 V307 F310 L311 M318 A320 Y321 I322	L165-W191 HydrophobicContact CD1-CH2 3.75Å; L165-W191 HydrophobicContact CD1-CZ3 4.21Å; V176-W191 HydrophobicContact CG1-CH2 4.43Å; V176-W191 HydrophobicContact CG1-CZ3 4.09Å; V176-W191 HydrophobicContact CG2-CH2 3.69Å; V176-W191 HydrophobicContact CG2-CZ3 4.05Å; W191-D193 HydrophobicContact CZ2-CB 4.23Å; W191-D193 PolarHBondContact NE1-OD2 3.22Å; W191-F234 HydrophobicContact CD2-CB 4.43Å; W191-F234 HydrophobicContact CE3-CB 3.53Å; W191-F234 HydrophobicContact CE3-CG 4.41Å; W191-F234 HydrophobicContact CZ3-CB 3.98Å; W191-M236 HydrophobicContact CH2-CB 4.06Å; W191-M236 HydrophobicContact CH2-SD 4.11Å; W191-M236 HydrophobicContact CZ2-CB 3.8Å; W191-M236 HydrophobicContact CZ2-CG 4.45Å; W191-M236 HydrophobicContact CZ2-SD 3.87Å; W191-V307 HydrophobicContact CH2-CG1 4Å; W191-V307 HydrophobicContact CH2-CG2 4.2Å; W191-V307 HydrophobicContact CZ2-CB 4.38Å; W191-V307 HydrophobicContact CZ2-CG1 3.47Å; W191-V307 VanDerWaalsContact CZ2-CG1 3.47Å; W191-V307 HydrophobicContact CZ2-CG2 3.97Å; W191-F310 AromaticContact CE3-CD1 3.88Å; W191-F310 HydrophobicContact CE3-CD1 3.88Å; W191-F310 AromaticContact CE3-CE1 3.73Å; W191-F310 HydrophobicContact CE3-CE1 3.73Å; W191-F310 HydrophobicContact CH2-CD1 4.44Å; W191-F310 AromaticContact CZ3-CD1 3.53Å; W191-F310 HydrophobicContact CZ3-CD1 3.53Å; W191-F310 AromaticContact CZ3-CE1 3.58Å; W191-F310 HydrophobicContact CZ3-CE1 3.58Å; W191-F310 HydrophobicContact CZ3-CG 4.42Å; W191-F310 HydrophobicContact CZ3-CZ 4.48Å; W191-L311 HydrophobicContact CB-CD2 3.94Å; W191-L311 HydrophobicContact CD2-CD2 3.85Å; W191-L311 HydrophobicContact CE3-CD2 3.94Å; W191-L311 HydrophobicContact CG-CD2 3.85Å; W191-M318 HydrophobicContact CB-CE 4.17Å; W191-M318 HydrophobicContact CB-SD 3.75Å; W191-M318 PolarHBondContact N-SD 3.2Å; W191-M318 VanDerWaalsContact N-SD 3.41Å; W191-A320 PolarHBondContact N-O 2.91Å; W191-Y321 HydrophobicContact CB-CD2 4.16Å; W191-Y321 AromaticContact CD1-CD2 3.26Å; W191-Y321 AromaticContact CD1-CE2 3.2Å; W191-Y321 AromaticContact CG-CD2 3.9Å; W191-Y321 HydrophobicContact CG-CD2 3.9Å; W191-Y321 HydrophobicContact CG-CE2 4.15Å; W191-Y321 AromaticContact NE1-CE2 3.48Å; W191-Y321 CarbonylContact O-C 3.58Å; W191-Y321 WeakPolarHBondContact O-CA 3.35Å; W191-I322 PolarHBondContact O-N 2.88Å
192	I	98.9	Very high	96.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	114.8	172.9	-51.2	-176.7	0	0	0	107.7	M190 F210 F233 F234 I235 M236 I322 I324 V426	M190-I192 HydrophobicContact CE-CD1 4.17Å; M190-I192 HydrophobicContact CE-CG1 4.28Å; M190-I192 HydrophobicContact CG-CG1 4.21Å; I192-F210 HydrophobicContact CD1-CE1 4.39Å; I192-F210 HydrophobicContact CD1-CE2 4.37Å; I192-F210 HydrophobicContact CD1-CZ 4.24Å; I192-F233 HydrophobicContact CD1-CD1 4.35Å; I192-F234 PolarHBondContact N-O 2.95Å; I192-I235 HydrophobicContact CB-CD1 3.69Å; I192-I235 HydrophobicContact CD1-CD1 3.71Å; I192-I235 HydrophobicContact CG1-CD1 3.87Å; I192-I235 CarbonylContact O-C 3.59Å; I192-I235 WeakPolarHBondContact O-CA 3.09Å; I192-M236 PolarHBondContact O-N 3.38Å; I192-I322 VanDerWaalsContact CA-O 3.28Å; I192-I322 WeakPolarHBondContact CA-O 3.5Å; I192-I322 HydrophobicContact CG1-CB 4.34Å; I192-I322 HydrophobicContact CG2-CB 4.49Å; I192-I324 HydrophobicContact CG2-CG1 4.03Å; I192-V426 HydrophobicContact CD1-CG1 3.8Å
193	D	98.9	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	149.9	169.6	59.4	72.2	0	0	0	112	W191 V196 M236 F239 Y321 I322 S323 I324	W191-D193 HydrophobicContact CZ2-CB 4.23Å; W191-D193 PolarHBondContact NE1-OD2 3.22Å; D193-V196 VanDerWaalsContact OD1-CG2 3.29Å; D193-V196 WeakPolarHBondContact OD1-CG2 3.37Å; D193-M236 HydrophobicContact CB-CB 4.07Å; D193-F239 HydrophobicContact CB-CD2 4.19Å; D193-Y321 VanDerWaalsContact OD2-CE2 3.25Å; D193-Y321 WeakPolarHBondContact OD2-CE2 3.46Å; D193-Y321 PolarHBondContact OD2-OH 2.96Å; D193-I322 PolarHBondContact N-O 3.04Å; D193-S323 WeakPolarHBondContact OD1-CA 3.41Å; D193-S323 WeakPolarHBondContact OD1-CB 3.35Å; D193-S323 PolarHBondContact OD1-OG 2.8Å; D193-I324 PolarHBondContact O-N 3.06Å
194	C	98.9	Very high	97	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	159	178	-63.7	0	0	0	0	109.7	V196 G203 C207 M236 P237 F239 I324	C194-V196 PolarHBondContact O-N 3.34Å; C194-G203 VanDerWaalsContact CB-C 3.5Å; C194-G203 WeakPolarHBondContact CB-O 3.24Å; C194-G203 PolarHBondContact SG-O 3.22Å; C194-C207 HydrophobicContact CB-CB 3.8Å; C194-C207 WeakPolarHBondContact CB-SG 3.41Å; C194-C207 WeakPolarHBondContact SG-CB 3.04Å; C194-C207 CovalentContact SG-SG 2.03Å; C194-C207 PolarHBondContact SG-SG 2.7Å; C194-M236 PolarHBondContact N-O 3.08Å; C194-P237 VanDerWaalsContact CB-O 3.3Å; C194-P237 WeakPolarHBondContact CB-O 3.29Å; C194-F239 WeakPolarHBondContact O-CB 3.42Å; C194-F239 PolarHBondContact O-N 2.85Å; C194-I324 HydrophobicContact CB-CB 4.43Å
195	G	98.8	Very high	97.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.01	9%	0.091	C	C	.	.			trans	66	36.6	173.3	0	0	0	0	0	113.5	H197 N240	G195-H197 VanDerWaalsContact C-N 3.35Å; G195-N240 WeakPolarHBondContact O-CB 3.48Å; G195-N240 PolarHBondContact O-N 3.36Å
196	V	98.9	Very high	98	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.012	6%	0.057	C	C	.	.	S	Bend	trans	-64.6	-44.1	169.1	176.9	0	0	0	0	109.7	D193 C194 F239 N240 A271 N272	D193-V196 VanDerWaalsContact OD1-CG2 3.29Å; D193-V196 WeakPolarHBondContact OD1-CG2 3.37Å; C194-V196 PolarHBondContact O-N 3.34Å; V196-F239 HydrophobicContact CB-CB 4.48Å; V196-F239 HydrophobicContact CB-CD1 4.5Å; V196-F239 HydrophobicContact CG1-CD1 4.41Å; V196-F239 HydrophobicContact CG2-CB 3.85Å; V196-F239 HydrophobicContact CG2-CD1 4.2Å; V196-F239 HydrophobicContact CG2-CD2 4.11Å; V196-F239 HydrophobicContact CG2-CG 3.81Å; V196-N240 WeakPolarHBondContact O-CB 3.41Å; V196-N240 PolarHBondContact O-ND2 3.31Å; V196-A271 HydrophobicContact CG1-CB 3.73Å; V196-N272 HydrophobicContact CG1-CB 4.11Å
197	H	98.9	Very high	98.4	Very high	5 Å²	5	6.5 Å²	6.5	2%	0.023	3%	0.031	C	C	.	.	S	Bend	trans	-97.2	131.2	168.2	-53	131.1	0	0	0	110.3	G195 R199 E200 R255 D270 H325	G195-H197 VanDerWaalsContact C-N 3.35Å; H197-R199 PolarHBondContact O-N 3.13Å; H197-E200 VanDerWaalsContact CB-CD 3.48Å; H197-E200 HydrophobicContact CB-CG 4.02Å; H197-E200 VanDerWaalsContact CB-OE1 3.26Å; H197-E200 WeakPolarHBondContact CB-OE1 3.35Å; H197-E200 IonicContact CE1-OE1 3.67Å; H197-E200 IonicContact CG-OE1 3.51Å; H197-E200 VanDerWaalsContact CG-OE1 3.31Å; H197-E200 IonicContact CG-OE2 2.8Å; H197-E200 IonicContact ND1-OE1 2.79Å; H197-E200 PolarHBondContact ND1-OE1 3.39Å; H197-E200 IonicContact ND1-OE2 2.88Å; H197-E200 PolarHBondContact ND1-OE2 2.03Å; H197-E200 PolarHBondContact O-N 3Å; H197-R255 WeakPolarHBondContact CA-O 3.34Å; H197-R255 HydrophobicContact CB-CG 3.93Å; H197-R255 VanDerWaalsContact CD2-CZ 3.46Å; H197-R255 PolarHBondContact CE1-NH1 3.3Å; H197-R255 PolarHBondContact CE1-NH2 2.68Å; H197-R255 PolarHBondContact ND1-NH1 3.36Å; H197-R255 VanDerWaalsContact ND1-NH1 3.13Å; H197-R255 VanDerWaalsContact NE2-CZ 3.3Å; H197-R255 PolarHBondContact NE2-NH2 3.03Å; H197-D270 IonicContact CD2-OD1 2.69Å; H197-D270 IonicContact NE2-OD1 3.31Å; H197-D270 PolarHBondContact NE2-OD1 3.35Å; H197-H325 AromaticContact CE1-CE1 3.37Å; H197-H325 PolarHBondContact CE1-CE1 2.86Å; H197-H325 AromaticContact CE1-ND1 3.4Å; H197-H325 PolarHBondContact CE1-ND1 2.84Å; H197-H325 AromaticContact ND1-CE1 3.65Å; H197-H325 AromaticContact ND1-ND1 3.25Å; H197-H325 PolarHBondContact ND1-ND1 3.41Å
198	A	98.8	Very high	98.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-34.1	-168.1	0	0	0	0	0	114.9	E200 W201 G243 S247 W254 R255	A198-E200 VanDerWaalsContact C-N 3.3Å; A198-E200 PolarHBondContact O-N 2.89Å; A198-W201 VanDerWaalsContact O-CD1 3.25Å; A198-W201 PolarHBondContact O-NE1 2.97Å; A198-G243 VanDerWaalsContact CB-O 3.23Å; A198-G243 WeakPolarHBondContact CB-O 3.49Å; A198-S247 PolarHBondContact O-OG 3.27Å; A198-W254 CarbonylContact C-O 3.58Å; A198-W254 VanDerWaalsContact CB-O 3.23Å; A198-W254 WeakPolarHBondContact CB-O 3.31Å; A198-R255 PolarHBondContact N-O 3.49Å
199	R	98.4	Very high	98.7	Very high	2 Å²	2	2.2 Å²	2.2	1%	0.008	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-12.7	-178.8	65.8	-167.7	-174.6	-173.9	4.6	115.3	D66 F67 H197 W201 R252 F253 W254 F408	D66-R199 VanDerWaalsContact CG-NH1 3.35Å; D66-R199 IonicContact OD1-CZ 3.69Å; D66-R199 IonicContact OD1-NH1 3.44Å; D66-R199 PolarHBondContact OD1-NH1 3.38Å; D66-R199 IonicContact OD1-NH2 2.76Å; D66-R199 IonicContact OD2-NH1 3.89Å; D66-R199 PolarHBondContact OD2-NH1 3.24Å; D66-R199 VanDerWaalsContact OD2-NH1 3.15Å; F67-R199 PolarHBondContact O-NH2 3.43Å; H197-R199 PolarHBondContact O-N 3.13Å; R199-W201 VanDerWaalsContact C-N 3.32Å; R199-W201 PolarHBondContact O-N 2.96Å; R199-W201 VanDerWaalsContact O-N 3.08Å; R199-R252 WeakPolarHBondContact CB-O 3.48Å; R199-R252 PolarHBondContact O-NH1 3.36Å; R199-F253 VanDerWaalsContact CD-O 3.26Å; R199-F253 WeakPolarHBondContact CD-O 3.47Å; R199-F253 PolarHBondContact NH1-O 2.88Å; R199-W254 WeakPolarHBondContact CB-O 3.36Å; R199-W254 PolarHBondContact N-O 2.93Å; R199-F408 HydrophobicContact CG-CD1 4.06Å; R199-F408 HydrophobicContact CG-CD2 4.26Å; R199-F408 HydrophobicContact CG-CE1 4.32Å; R199-F408 HydrophobicContact CG-CG 4.04Å; R199-F408 VanDerWaalsContact CZ-CE2 3.45Å; R199-F408 VanDerWaalsContact NE-CE2 3.25Å; R199-F408 VanDerWaalsContact NE-CZ 3.35Å
200	E	98.8	Very high	98.8	Very high	5 Å²	5	2 Å²	2	2%	0.023	1%	0.01	C	C	.	.			trans	-88.2	62.2	-172.1	-63.2	172.3	-162.7	0	0	111.3	H197 A198 I202 G203 P204 R255 H325 A326 F408	H197-E200 VanDerWaalsContact CB-CD 3.48Å; H197-E200 HydrophobicContact CB-CG 4.02Å; H197-E200 VanDerWaalsContact CB-OE1 3.26Å; H197-E200 WeakPolarHBondContact CB-OE1 3.35Å; H197-E200 IonicContact CE1-OE1 3.67Å; H197-E200 IonicContact CG-OE1 3.51Å; H197-E200 VanDerWaalsContact CG-OE1 3.31Å; H197-E200 IonicContact CG-OE2 2.8Å; H197-E200 IonicContact ND1-OE1 2.79Å; H197-E200 PolarHBondContact ND1-OE1 3.39Å; H197-E200 IonicContact ND1-OE2 2.88Å; H197-E200 PolarHBondContact ND1-OE2 2.03Å; H197-E200 PolarHBondContact O-N 3Å; A198-E200 VanDerWaalsContact C-N 3.3Å; A198-E200 PolarHBondContact O-N 2.89Å; E200-I202 PolarHBondContact O-N 2.84Å; E200-I202 VanDerWaalsContact O-N 3.13Å; E200-G203 PolarHBondContact O-N 3.41Å; E200-P204 VanDerWaalsContact O-CD 3.24Å; E200-P204 WeakPolarHBondContact O-CD 3.4Å; E200-R255 IonicContact OE1-NH1 2.82Å; E200-H325 WeakPolarHBondContact OE2-CA 3.26Å; E200-H325 VanDerWaalsContact OE2-CB 3.31Å; E200-H325 WeakPolarHBondContact OE2-CB 3.42Å; E200-H325 IonicContact OE2-CG 3.36Å; E200-H325 IonicContact OE2-ND1 2.76Å; E200-H325 PolarHBondContact OE2-ND1 3.16Å; E200-A326 HydrophobicContact CB-CB 4.31Å; E200-A326 HydrophobicContact CG-CB 4.43Å; E200-A326 WeakPolarHBondContact CG-O 3.4Å; E200-A326 VanDerWaalsContact OE1-O 3.13Å; E200-A326 PolarHBondContact OE2-N 2.76Å; E200-A326 VanDerWaalsContact OE2-N 3.16Å; E200-F408 HydrophobicContact CG-CD1 3.97Å; E200-F408 HydrophobicContact CG-CE1 3.98Å
201	W	98.7	Very high	98.8	Very high	4 Å²	4	2 Å²	2	2%	0.015	1%	0.01	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.9	-168.3	-71.2	4.9	0	0	0	115.3	Q119 Y139 A198 R199 G203 P204 A205 Y244 S247 W248 R252	Q119-W201 VanDerWaalsContact NE2-CE3 3.32Å; Y139-W201 HydrophobicContact CD1-CB 3.64Å; Y139-W201 HydrophobicContact CD1-CE3 4.39Å; Y139-W201 HydrophobicContact CD2-CE3 4.13Å; Y139-W201 HydrophobicContact CE1-CB 3.65Å; Y139-W201 HydrophobicContact CG-CB 4.32Å; Y139-W201 AromaticContact CG-CE3 3.9Å; Y139-W201 HydrophobicContact CG-CE3 3.9Å; A198-W201 VanDerWaalsContact O-CD1 3.25Å; A198-W201 PolarHBondContact O-NE1 2.97Å; R199-W201 VanDerWaalsContact C-N 3.32Å; R199-W201 PolarHBondContact O-N 2.96Å; R199-W201 VanDerWaalsContact O-N 3.08Å; W201-G203 PolarHBondContact O-N 2.82Å; W201-P204 WeakPolarHBondContact O-CD 3.41Å; W201-A205 PolarHBondContact O-N 2.83Å; W201-Y244 AromaticContact CD1-CE2 3.52Å; W201-Y244 HydrophobicContact CG-CE2 4.12Å; W201-Y244 AromaticContact NE1-CE2 3.89Å; W201-S247 PolarHBondContact NE1-OG 2.85Å; W201-W248 AromaticContact CE2-NE1 3.83Å; W201-W248 HydrophobicContact CE3-CZ2 4.3Å; W201-W248 HydrophobicContact CH2-CD2 4.03Å; W201-W248 AromaticContact CH2-CE2 3.98Å; W201-W248 HydrophobicContact CH2-CE3 4.35Å; W201-W248 HydrophobicContact CH2-CG 4.42Å; W201-W248 HydrophobicContact CH2-CZ2 4.24Å; W201-W248 AromaticContact CZ2-CD1 3.86Å; W201-W248 HydrophobicContact CZ2-CD2 4.05Å; W201-W248 AromaticContact CZ2-CE2 3.94Å; W201-W248 HydrophobicContact CZ2-CG 4.01Å; W201-W248 AromaticContact CZ2-NE1 3.83Å; W201-W248 HydrophobicContact CZ3-CH2 4.36Å; W201-W248 HydrophobicContact CZ3-CZ2 4.11Å; W201-R252 VanDerWaalsContact CH2-CD 3.5Å
202	I	98.8	Very high	98.7	Very high	5 Å²	5	4.6 Å²	4.6	3%	0.026	2%	0.022	C	C	.	.	H	α-helix	trans	-65.2	-26.1	175.7	-171.3	58.5	0	0	0	112.8	E200 A205 F206 A326 L400 L410 I415 T418	E200-I202 PolarHBondContact O-N 2.84Å; E200-I202 VanDerWaalsContact O-N 3.13Å; I202-A205 HydrophobicContact CD1-CB 4.37Å; I202-A205 PolarHBondContact O-N 2.9Å; I202-F206 WeakPolarHBondContact O-CB 3.24Å; I202-F206 PolarHBondContact O-N 3.46Å; I202-A326 HydrophobicContact CG2-CB 3.41Å; I202-A326 VanDerWaalsContact CG2-CB 3.41Å; I202-L400 HydrophobicContact CG1-CD1 4.11Å; I202-L400 HydrophobicContact CG2-CB 4.21Å; I202-L400 HydrophobicContact CG2-CD1 4.32Å; I202-L410 HydrophobicContact CB-CD2 4.22Å; I202-L410 HydrophobicContact CD1-CD2 4.02Å; I202-L410 HydrophobicContact CG1-CD2 3.83Å; I202-I415 HydrophobicContact CD1-CB 4.34Å; I202-I415 HydrophobicContact CD1-CG1 4.04Å; I202-I415 HydrophobicContact CD1-CG2 4.38Å; I202-T418 HydrophobicContact CD1-CG2 4.09Å; I202-T418 HydrophobicContact CG1-CG2 3.8Å
203	G	98.8	Very high	98.7	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61.7	-61.5	175.3	0	0	0	0	0	112	C194 E200 W201 A205 F206 C207	C194-G203 VanDerWaalsContact CB-C 3.5Å; C194-G203 WeakPolarHBondContact CB-O 3.24Å; C194-G203 PolarHBondContact SG-O 3.22Å; E200-G203 PolarHBondContact O-N 3.41Å; W201-G203 PolarHBondContact O-N 2.82Å; G203-A205 VanDerWaalsContact C-N 3.26Å; G203-A205 PolarHBondContact O-N 2.86Å; G203-F206 WeakPolarHBondContact O-CB 3.41Å; G203-F206 PolarHBondContact O-N 3.44Å; G203-C207 PolarHBondContact O-N 3.39Å
204	P	98.9	Very high	98.7	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-53.8	-39.7	174.3	-30.8	37.7	0	0	0	113.9	I145 E200 W201 F206 C207 Q208 P237 V238 Y244	I145-P204 HydrophobicContact CD1-CB 4.14Å; E200-P204 VanDerWaalsContact O-CD 3.24Å; E200-P204 WeakPolarHBondContact O-CD 3.4Å; W201-P204 WeakPolarHBondContact O-CD 3.41Å; P204-F206 PolarHBondContact O-N 3.44Å; P204-C207 PolarHBondContact O-N 3.03Å; P204-Q208 VanDerWaalsContact O-CG 3.29Å; P204-Q208 WeakPolarHBondContact O-CG 3.49Å; P204-Q208 PolarHBondContact O-N 2.85Å; P204-Q208 VanDerWaalsContact O-N 3.16Å; P204-Q208 PolarHBondContact O-NE2 2.83Å; P204-P237 WeakPolarHBondContact CA-O 3.28Å; P204-P237 WeakPolarHBondContact CB-O 3.49Å; P204-V238 HydrophobicContact CB-CG2 4.14Å; P204-V238 HydrophobicContact CG-CG2 4.3Å; P204-Y244 HydrophobicContact CB-CE2 4.3Å; P204-Y244 HydrophobicContact CG-CD2 4.25Å; P204-Y244 HydrophobicContact CG-CE2 3.82Å
205	A	98.9	Very high	98.6	Very high	5 Å²	5	7.7 Å²	7.7	4%	0.041	4%	0.036	C	C	.	.	H	α-helix	trans	-58.5	-45.6	173.8	0	0	0	0	0	111.9	Y139 W201 I202 G203 Q208 W209 I415	Y139-A205 HydrophobicContact CD1-CB 4.27Å; Y139-A205 HydrophobicContact CE1-CB 4.18Å; W201-A205 PolarHBondContact O-N 2.83Å; I202-A205 HydrophobicContact CD1-CB 4.37Å; I202-A205 PolarHBondContact O-N 2.9Å; G203-A205 VanDerWaalsContact C-N 3.26Å; G203-A205 PolarHBondContact O-N 2.86Å; A205-Q208 PolarHBondContact O-N 3.15Å; A205-W209 PolarHBondContact O-N 3.3Å; A205-I415 HydrophobicContact CB-CG2 4.06Å
206	F	98.9	Very high	98.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.7	-44.6	175.3	169.1	-102.5	0	0	0	113.1	I202 G203 P204 Q208 W209 F210 I324 L400 C419 T422 V426	I202-F206 WeakPolarHBondContact O-CB 3.24Å; I202-F206 PolarHBondContact O-N 3.46Å; G203-F206 WeakPolarHBondContact O-CB 3.41Å; G203-F206 PolarHBondContact O-N 3.44Å; P204-F206 PolarHBondContact O-N 3.44Å; F206-Q208 PolarHBondContact O-N 3.22Å; F206-W209 WeakPolarHBondContact O-CB 3.3Å; F206-W209 PolarHBondContact O-N 3.02Å; F206-F210 HydrophobicContact CE2-CB 4.5Å; F206-F210 HydrophobicContact CZ-CB 4.26Å; F206-F210 HydrophobicContact CZ-CD2 4.23Å; F206-F210 WeakPolarHBondContact O-CB 3.38Å; F206-F210 PolarHBondContact O-N 3.34Å; F206-I324 HydrophobicContact CD1-CB 4.47Å; F206-I324 HydrophobicContact CD1-CD1 3.98Å; F206-I324 HydrophobicContact CD1-CG1 3.8Å; F206-I324 HydrophobicContact CD1-CG2 4.05Å; F206-I324 HydrophobicContact CE1-CD1 3.76Å; F206-I324 HydrophobicContact CE1-CG1 3.92Å; F206-L400 HydrophobicContact CB-CD1 4.19Å; F206-C419 HydrophobicContact CD2-CB 4.28Å; F206-T422 HydrophobicContact CD1-CG2 4.28Å; F206-T422 HydrophobicContact CD2-CG2 3.8Å; F206-T422 HydrophobicContact CE1-CG2 3.96Å; F206-T422 HydrophobicContact CE2-CG2 3.45Å; F206-T422 VanDerWaalsContact CE2-CG2 3.45Å; F206-T422 HydrophobicContact CG-CG2 4.2Å; F206-T422 HydrophobicContact CZ-CG2 3.54Å; F206-V426 HydrophobicContact CE1-CG2 4.3Å; F206-V426 HydrophobicContact CZ-CB 4.47Å; F206-V426 HydrophobicContact CZ-CG2 3.79Å
207	C	98.9	Very high	98.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.7	-36.8	177.7	-92.8	0	0	0	0	112.1	C194 G203 P204 V211 I235 P237	C194-C207 HydrophobicContact CB-CB 3.8Å; C194-C207 WeakPolarHBondContact CB-SG 3.41Å; C194-C207 WeakPolarHBondContact SG-CB 3.04Å; C194-C207 CovalentContact SG-SG 2.03Å; C194-C207 PolarHBondContact SG-SG 2.7Å; G203-C207 PolarHBondContact O-N 3.39Å; P204-C207 PolarHBondContact O-N 3.03Å; C207-V211 WeakPolarHBondContact O-CG2 3.5Å; C207-V211 PolarHBondContact O-N 3.43Å; C207-I235 HydrophobicContact CB-CG2 3.92Å; C207-P237 HydrophobicContact CB-CB 4.06Å; C207-P237 HydrophobicContact CB-CG 4.5Å
208	Q	98.8	Very high	98.2	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.019	7%	0.066	C	C	.	.	H	α-helix	trans	-70.5	-43.4	176.8	-64.8	170.8	115.7	0	0	111.4	Y134 Y136 W148 P204 A205 F206 F210 V211 K212 P237	Y134-Q208 PolarHBondContact OH-OE1 2.89Å; Y136-Q208 HydrophobicContact CD1-CB 4.19Å; Y136-Q208 HydrophobicContact CE1-CB 4.27Å; Y136-Q208 WeakPolarHBondContact CE1-O 3.39Å; W148-Q208 HydrophobicContact CD2-CG 4.49Å; W148-Q208 HydrophobicContact CE3-CG 4Å; W148-Q208 HydrophobicContact CH2-CB 4.01Å; W148-Q208 HydrophobicContact CH2-CG 3.81Å; W148-Q208 HydrophobicContact CZ2-CB 4.1Å; W148-Q208 HydrophobicContact CZ2-CG 4.29Å; W148-Q208 HydrophobicContact CZ3-CB 4.36Å; W148-Q208 HydrophobicContact CZ3-CG 3.67Å; P204-Q208 VanDerWaalsContact O-CG 3.29Å; P204-Q208 WeakPolarHBondContact O-CG 3.49Å; P204-Q208 PolarHBondContact O-N 2.85Å; P204-Q208 VanDerWaalsContact O-N 3.16Å; P204-Q208 PolarHBondContact O-NE2 2.83Å; A205-Q208 PolarHBondContact O-N 3.15Å; F206-Q208 PolarHBondContact O-N 3.22Å; Q208-F210 VanDerWaalsContact C-N 3.35Å; Q208-F210 PolarHBondContact O-N 3.25Å; Q208-V211 PolarHBondContact O-N 3.28Å; Q208-K212 PolarHBondContact O-N 3.12Å; Q208-P237 HydrophobicContact CG-CB 4.48Å
209	W	98.8	Very high	98	Very high	5 Å²	5	20.1 Å²	20.1	2%	0.019	10%	0.1	C	C	.	.	H	α-helix	trans	-59.7	-42.3	173.3	-168.4	-79.2	0	0	0	112.6	E137 A205 F206 V211 K212 E213 K416 C419 I420	E137-W209 HydrophobicContact CG-CH2 4.37Å; E137-W209 HydrophobicContact CG-CZ3 3.84Å; A205-W209 PolarHBondContact O-N 3.3Å; F206-W209 WeakPolarHBondContact O-CB 3.3Å; F206-W209 PolarHBondContact O-N 3.02Å; W209-V211 VanDerWaalsContact C-N 3.33Å; W209-V211 PolarHBondContact O-N 3Å; W209-K212 WeakPolarHBondContact O-CB 3.45Å; W209-K212 PolarHBondContact O-N 2.9Å; W209-E213 HydrophobicContact CG-CG 4.45Å; W209-E213 VanDerWaalsContact NE1-CG 3.32Å; W209-E213 WeakPolarHBondContact O-CB 3.28Å; W209-E213 WeakPolarHBondContact O-CG 3.48Å; W209-E213 PolarHBondContact O-N 2.82Å; W209-K416 HydrophobicContact CH2-CB 4.01Å; W209-K416 HydrophobicContact CH2-CD 4.36Å; W209-K416 HydrophobicContact CH2-CG 3.65Å; W209-K416 HydrophobicContact CZ2-CG 4.12Å; W209-K416 HydrophobicContact CZ3-CB 4.22Å; W209-K416 HydrophobicContact CZ3-CG 4.36Å; W209-C419 HydrophobicContact CB-CB 3.67Å; W209-C419 VanDerWaalsContact CD1-CB 3.49Å; W209-C419 HydrophobicContact CD2-CB 3.52Å; W209-C419 HydrophobicContact CE3-CB 4.14Å; W209-C419 HydrophobicContact CG-CB 3.25Å; W209-I420 HydrophobicContact CZ2-CD1 4.29Å; W209-I420 HydrophobicContact CZ2-CG1 3.97Å
210	F	98.8	Very high	97.9	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-59.1	-45.6	177.1	-179.4	-88.2	0	0	0	111.3	L179 I192 F206 Q208 E213 A214 F233 I235 L423 V426	L179-F210 HydrophobicContact CD1-CD1 4.24Å; L179-F210 HydrophobicContact CD1-CE1 4.03Å; I192-F210 HydrophobicContact CD1-CE1 4.39Å; I192-F210 HydrophobicContact CD1-CE2 4.37Å; I192-F210 HydrophobicContact CD1-CZ 4.24Å; F206-F210 HydrophobicContact CE2-CB 4.5Å; F206-F210 HydrophobicContact CZ-CB 4.26Å; F206-F210 HydrophobicContact CZ-CD2 4.23Å; F206-F210 WeakPolarHBondContact O-CB 3.38Å; F206-F210 PolarHBondContact O-N 3.34Å; Q208-F210 VanDerWaalsContact C-N 3.35Å; Q208-F210 PolarHBondContact O-N 3.25Å; F210-E213 PolarHBondContact O-N 2.97Å; F210-A214 HydrophobicContact CE1-CB 4.44Å; F210-A214 WeakPolarHBondContact O-CB 3.01Å; F210-A214 PolarHBondContact O-N 2.78Å; F210-F233 HydrophobicContact CE1-CB 4.29Å; F210-F233 HydrophobicContact CE1-CD1 4.09Å; F210-F233 HydrophobicContact CE1-CG 4.15Å; F210-F233 AromaticContact CZ-CD1 3.72Å; F210-F233 HydrophobicContact CZ-CD1 3.72Å; F210-F233 AromaticContact CZ-CE1 3.88Å; F210-F233 HydrophobicContact CZ-CE1 3.88Å; F210-F233 HydrophobicContact CZ-CG 4.15Å; F210-F233 HydrophobicContact CZ-CZ 4.42Å; F210-I235 HydrophobicContact CD1-CD1 3.7Å; F210-I235 HydrophobicContact CD1-CG1 4.11Å; F210-I235 HydrophobicContact CE1-CD1 3.69Å; F210-I235 HydrophobicContact CE1-CG1 4.28Å; F210-L423 HydrophobicContact CD2-CD1 3.56Å; F210-L423 HydrophobicContact CE2-CD1 3.92Å; F210-V426 HydrophobicContact CD2-CG1 4.14Å; F210-V426 HydrophobicContact CE2-CB 4.42Å; F210-V426 HydrophobicContact CE2-CG1 3.58Å; F210-V426 HydrophobicContact CZ-CG1 4.36Å
211	V	98.7	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-46.2	177.6	171.7	0	0	0	0	110.7	W148 M152 L177 L179 C207 Q208 W209 E213 A214 L215 I235	W148-V211 HydrophobicContact CH2-CB 3.65Å; W148-V211 HydrophobicContact CH2-CG1 3.79Å; W148-V211 HydrophobicContact CH2-CG2 3.82Å; W148-V211 HydrophobicContact CZ2-CB 3.67Å; W148-V211 HydrophobicContact CZ2-CG1 3.59Å; W148-V211 HydrophobicContact CZ2-CG2 4.36Å; M152-V211 HydrophobicContact CG-CG1 4.22Å; L177-V211 HydrophobicContact CD1-CG1 4.07Å; L177-V211 HydrophobicContact CD1-CG2 4.1Å; L179-V211 HydrophobicContact CD1-CB 4.44Å; L179-V211 HydrophobicContact CD1-CG2 3.96Å; L179-V211 HydrophobicContact CD2-CG1 4.3Å; L179-V211 HydrophobicContact CD2-CG2 4.48Å; C207-V211 WeakPolarHBondContact O-CG2 3.5Å; C207-V211 PolarHBondContact O-N 3.43Å; Q208-V211 PolarHBondContact O-N 3.28Å; W209-V211 VanDerWaalsContact C-N 3.33Å; W209-V211 PolarHBondContact O-N 3Å; V211-E213 PolarHBondContact O-N 3.39Å; V211-A214 PolarHBondContact O-N 2.94Å; V211-L215 HydrophobicContact CG1-CD1 3.82Å; V211-L215 HydrophobicContact CG1-CG 4.43Å; V211-L215 VanDerWaalsContact O-CG 3.28Å; V211-L215 WeakPolarHBondContact O-CG 3.03Å; V211-L215 PolarHBondContact O-N 3.42Å; V211-I235 HydrophobicContact CG2-CB 4.24Å; V211-I235 HydrophobicContact CG2-CG1 4.15Å; V211-I235 HydrophobicContact CG2-CG2 4.05Å
212	K	97.5	Very high	97.7	Very high	56 Å²	56	37 Å²	37	24%	0.243	18%	0.181	C	C	.	.	H	α-helix	trans	-51.4	-55.9	174.4	179.9	-152.6	-173.9	-172.1	0	111.4	Y136 Q208 W209 A214 L215 S216	Y136-K212 HydrophobicContact CD1-CB 3.95Å; Y136-K212 HydrophobicContact CD1-CD 4.11Å; Y136-K212 HydrophobicContact CD1-CG 4.35Å; Y136-K212 HydrophobicContact CD2-CB 4.36Å; Y136-K212 HydrophobicContact CD2-CD 3.49Å; Y136-K212 VanDerWaalsContact CD2-CD 3.49Å; Y136-K212 HydrophobicContact CD2-CG 3.87Å; Y136-K212 HydrophobicContact CE1-CB 3.56Å; Y136-K212 HydrophobicContact CE1-CD 4.38Å; Y136-K212 HydrophobicContact CE1-CG 4.11Å; Y136-K212 HydrophobicContact CE2-CB 3.98Å; Y136-K212 HydrophobicContact CE2-CD 3.77Å; Y136-K212 HydrophobicContact CE2-CG 3.57Å; Y136-K212 HydrophobicContact CG-CB 4.33Å; Y136-K212 HydrophobicContact CG-CD 3.66Å; Y136-K212 HydrophobicContact CG-CG 4.24Å; Q208-K212 PolarHBondContact O-N 3.12Å; W209-K212 WeakPolarHBondContact O-CB 3.45Å; W209-K212 PolarHBondContact O-N 2.9Å; K212-A214 PolarHBondContact O-N 2.86Å; K212-L215 PolarHBondContact O-N 3.11Å; K212-S216 WeakPolarHBondContact O-CB 3.44Å; K212-S216 PolarHBondContact O-N 3.35Å; K212-S216 PolarHBondContact O-OG 3.08Å
213	E	98	Very high	97.6	Very high	51 Å²	51	39.4 Å²	39.4	24%	0.238	20%	0.196	C	C	.	.	H	α-helix	trans	-68.2	-35.9	-175.5	-68.1	-64.7	129.2	0	0	111.9	W209 F210 V211 L215 S217 L423	W209-E213 HydrophobicContact CG-CG 4.45Å; W209-E213 VanDerWaalsContact NE1-CG 3.32Å; W209-E213 WeakPolarHBondContact O-CB 3.28Å; W209-E213 WeakPolarHBondContact O-CG 3.48Å; W209-E213 PolarHBondContact O-N 2.82Å; F210-E213 PolarHBondContact O-N 2.97Å; V211-E213 PolarHBondContact O-N 3.39Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 2.86Å; E213-S217 VanDerWaalsContact O-CB 3.22Å; E213-S217 WeakPolarHBondContact O-CB 3.16Å; E213-S217 PolarHBondContact O-N 2.77Å; E213-S217 VanDerWaalsContact O-N 3.08Å; E213-S217 PolarHBondContact O-OG 2.96Å; E213-L423 HydrophobicContact CB-CD2 3.66Å; E213-L423 HydrophobicContact CG-CD2 3.75Å
214	A	98	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-43.5	174.4	0	0	0	0	0	111.7	L179 F210 V211 K212 Y218 M224 L228	L179-A214 HydrophobicContact CD1-CB 3.93Å; F210-A214 HydrophobicContact CE1-CB 4.44Å; F210-A214 WeakPolarHBondContact O-CB 3.01Å; F210-A214 PolarHBondContact O-N 2.78Å; V211-A214 PolarHBondContact O-N 2.94Å; K212-A214 PolarHBondContact O-N 2.86Å; A214-Y218 PolarHBondContact O-N 2.89Å; A214-M224 HydrophobicContact CB-CE 4.28Å; A214-M224 HydrophobicContact CB-SD 4.06Å; A214-L228 HydrophobicContact CB-CD1 4.3Å; A214-L228 VanDerWaalsContact O-CD1 3.25Å; A214-L228 WeakPolarHBondContact O-CD1 3.34Å
215	L	96.8	Very high	97.5	Very high	14 Å²	14	40.7 Å²	40.7	7%	0.073	20%	0.204	C	C	.	.	H	α-helix	trans	-78	-43.2	-178.1	-62.6	174.9	0	0	0	112.7	M152 R156 L159 V160 V211 K212 E213	M152-L215 HydrophobicContact SD-CD1 3.85Å; R156-L215 HydrophobicContact CB-CD1 4.47Å; R156-L215 HydrophobicContact CB-CD2 4.24Å; R156-L215 HydrophobicContact CG-CD1 4.19Å; R156-L215 HydrophobicContact CG-CD2 4.38Å; L159-L215 HydrophobicContact CB-CD2 3.9Å; L159-L215 HydrophobicContact CD1-CD2 3.97Å; V160-L215 HydrophobicContact CG2-CD1 3.87Å; V160-L215 HydrophobicContact CG2-CD2 3.56Å; V160-L215 HydrophobicContact CG2-CG 4.32Å; V211-L215 HydrophobicContact CG1-CD1 3.82Å; V211-L215 HydrophobicContact CG1-CG 4.43Å; V211-L215 VanDerWaalsContact O-CG 3.28Å; V211-L215 WeakPolarHBondContact O-CG 3.03Å; V211-L215 PolarHBondContact O-N 3.42Å; K212-L215 PolarHBondContact O-N 3.11Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 2.86Å
216	S	95.9	Very high	97.5	Very high	62 Å²	62	47.9 Å²	47.9	43%	0.434	23%	0.23	S	C	.	.	H	α-helix	trans	-70.5	-33.3	-177.5	66.5	0	0	0	0	112.7	K212 Y220	K212-S216 WeakPolarHBondContact O-CB 3.44Å; K212-S216 PolarHBondContact O-N 3.35Å; K212-S216 PolarHBondContact O-OG 3.08Å; S216-Y220 WeakPolarHBondContact O-CD2 3.33Å
217	S	96.3	Very high	97.4	Very high	19 Å²	19	48 Å²	48	13%	0.133	23%	0.231	C	C	.	.	H	α-helix	trans	-93.2	-5.9	-177.9	73.8	0	0	0	0	113.9	E213 K219 Y220 D221 M224	E213-S217 VanDerWaalsContact O-CB 3.22Å; E213-S217 WeakPolarHBondContact O-CB 3.16Å; E213-S217 PolarHBondContact O-N 2.77Å; E213-S217 VanDerWaalsContact O-N 3.08Å; E213-S217 PolarHBondContact O-OG 2.96Å; S217-K219 PolarHBondContact O-N 3.09Å; S217-Y220 PolarHBondContact O-N 2.99Å; S217-D221 PolarHBondContact O-N 3.18Å; S217-M224 WeakPolarHBondContact OG-CB 3.42Å; S217-M224 WeakPolarHBondContact OG-CG 3.32Å
218	Y	96.1	Very high	97.4	Very high	26 Å²	26	48 Å²	48	10%	0.102	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	130	175.2	-174.8	-109.5	0	0	0	110.9	L159 A214 Y220 T225 L228 N229	L159-Y218 HydrophobicContact CD1-CD1 3.5Å; L159-Y218 VanDerWaalsContact CD1-CD1 3.5Å; L159-Y218 HydrophobicContact CD1-CE1 4.04Å; L159-Y218 HydrophobicContact CD1-CG 3.77Å; L159-Y218 HydrophobicContact CD2-CD1 4.16Å; L159-Y218 HydrophobicContact CD2-CD2 4.5Å; L159-Y218 HydrophobicContact CD2-CE1 3.89Å; L159-Y218 HydrophobicContact CD2-CE2 4.27Å; L159-Y218 HydrophobicContact CD2-CG 4.44Å; L159-Y218 HydrophobicContact CG-CD1 4.33Å; L159-Y218 HydrophobicContact CG-CE1 4.39Å; A214-Y218 PolarHBondContact O-N 2.89Å; Y218-Y220 VanDerWaalsContact C-N 3.26Å; Y218-Y220 WeakPolarHBondContact O-CD2 3.43Å; Y218-Y220 PolarHBondContact O-N 2.79Å; Y218-T225 HydrophobicContact CD2-CG2 4.36Å; Y218-T225 HydrophobicContact CE2-CG2 4.08Å; Y218-L228 HydrophobicContact CD2-CB 3.85Å; Y218-L228 HydrophobicContact CD2-CD1 3.63Å; Y218-L228 HydrophobicContact CD2-CG 4.35Å; Y218-L228 HydrophobicContact CE2-CB 3.87Å; Y218-L228 HydrophobicContact CE2-CD1 4.44Å; Y218-L228 HydrophobicContact CG-CD1 4.11Å; Y218-N229 WeakPolarHBondContact CE2-OD1 3.37Å; Y218-N229 PolarHBondContact OH-OD1 3.41Å
219	K	94.9	Very high	97.3	Very high	163 Å²	163	50.5 Å²	50.5	71%	0.709	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	-8.6	-169.5	-52.4	177.2	-179.7	176.3	0	116.2	S217 T225	S217-K219 PolarHBondContact O-N 3.09Å; K219-T225 WeakPolarHBondContact CA-OG1 3.42Å; K219-T225 PolarHBondContact N-OG1 3.18Å
220	Y	96.3	Very high	97.2	Very high	200 Å²	200	55.2 Å²	55.2	78%	0.784	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-44	179.6	-58.9	-74.2	0	0	0	112.5	S216 S217 Y218	S216-Y220 WeakPolarHBondContact O-CD2 3.33Å; S217-Y220 PolarHBondContact O-N 2.99Å; Y218-Y220 VanDerWaalsContact C-N 3.26Å; Y218-Y220 WeakPolarHBondContact O-CD2 3.43Å; Y218-Y220 PolarHBondContact O-N 2.79Å
221	D	97.3	Very high	97.1	Very high	49 Å²	49	55.1 Å²	55.1	26%	0.262	27%	0.266	S	S	.	.	S	Bend	trans	-90.9	116.4	171.3	178.8	-109.4	0	0	0	109.3	S217 V223 M224 T225 K427	S217-D221 PolarHBondContact O-N 3.18Å; D221-V223 PolarHBondContact O-N 2.85Å; D221-V223 WeakPolarHBondContact OD1-CB 3.41Å; D221-M224 HydrophobicContact CB-CB 4.12Å; D221-M224 PolarHBondContact O-N 2.01Å; D221-M224 VanDerWaalsContact OD1-CB 3.24Å; D221-M224 WeakPolarHBondContact OD1-CB 3.45Å; D221-M224 PolarHBondContact OD1-N 3.05Å; D221-T225 VanDerWaalsContact O-CB 3.27Å; D221-T225 WeakPolarHBondContact O-CB 3.43Å; D221-T225 PolarHBondContact O-N 3.4Å; D221-T225 PolarHBondContact O-OG1 3.26Å; D221-K427 VanDerWaalsContact CG-NZ 3.32Å; D221-K427 IonicContact OD1-NZ 2.71Å; D221-K427 PolarHBondContact OD1-NZ 3.03Å; D221-K427 IonicContact OD2-NZ 3.77Å; D221-K427 PolarHBondContact OD2-NZ 3.1Å
222	T	97.2	Very high	97.1	Very high	116 Å²	116	55.8 Å²	55.8	71%	0.712	27%	0.269	S	S	*	.	H	α-helix	trans	-61.3	-34.8	-176.1	56.4	0	0	0	0	112	R226	T222-R226 VanDerWaalsContact O-CB 3.32Å; T222-R226 WeakPolarHBondContact O-CB 3.17Å; T222-R226 PolarHBondContact O-N 3.33Å
223	V	96.8	Very high	97.2	Very high	56 Å²	56	53.1 Å²	53.1	34%	0.339	26%	0.258	S	S	.	.	H	α-helix	trans	-67.8	-55.5	178	178.4	0	0	0	0	110.6	D221 T225 R226 L227	D221-V223 PolarHBondContact O-N 2.85Å; D221-V223 WeakPolarHBondContact OD1-CB 3.41Å; V223-T225 VanDerWaalsContact C-N 3.29Å; V223-T225 PolarHBondContact O-N 2.96Å; V223-R226 WeakPolarHBondContact O-CB 3.38Å; V223-R226 PolarHBondContact O-N 3.17Å; V223-R226 VanDerWaalsContact O-N 3.13Å; V223-L227 HydrophobicContact CG1-CD1 4.11Å; V223-L227 HydrophobicContact CG1-CG 4.37Å; V223-L227 VanDerWaalsContact O-CG 3.3Å; V223-L227 WeakPolarHBondContact O-CG 3.45Å; V223-L227 PolarHBondContact O-N 2.78Å
224	M	97.8	Very high	97.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-39.9	-179.9	-171.4	62.1	77.3	0	0	111.4	A214 S217 D221 R226 L227 L228 L423 K427	A214-M224 HydrophobicContact CB-CE 4.28Å; A214-M224 HydrophobicContact CB-SD 4.06Å; S217-M224 WeakPolarHBondContact OG-CB 3.42Å; S217-M224 WeakPolarHBondContact OG-CG 3.32Å; D221-M224 HydrophobicContact CB-CB 4.12Å; D221-M224 PolarHBondContact O-N 2.01Å; D221-M224 VanDerWaalsContact OD1-CB 3.24Å; D221-M224 WeakPolarHBondContact OD1-CB 3.45Å; D221-M224 PolarHBondContact OD1-N 3.05Å; M224-R226 VanDerWaalsContact C-N 3.34Å; M224-R226 PolarHBondContact O-N 3.02Å; M224-L227 PolarHBondContact O-N 3.05Å; M224-L227 HydrophobicContact SD-CD1 4.43Å; M224-L228 HydrophobicContact CG-CD1 4.09Å; M224-L228 HydrophobicContact CG-CG 4.38Å; M224-L228 PolarHBondContact O-N 3.48Å; M224-L228 HydrophobicContact SD-CD1 4.42Å; M224-L228 HydrophobicContact SD-CG 4.26Å; M224-L423 HydrophobicContact CE-CD1 4.22Å; M224-K427 HydrophobicContact CE-CD 4.1Å; M224-K427 HydrophobicContact CE-CG 4.16Å
225	T	97.7	Very high	97.3	Very high	26 Å²	26	51.2 Å²	51.2	16%	0.16	25%	0.249	C	C	.	.	H	α-helix	trans	-58	-47.9	174	-57.8	0	0	0	0	111.2	Y218 K219 D221 V223 L227 N229	Y218-T225 HydrophobicContact CD2-CG2 4.36Å; Y218-T225 HydrophobicContact CE2-CG2 4.08Å; K219-T225 WeakPolarHBondContact CA-OG1 3.42Å; K219-T225 PolarHBondContact N-OG1 3.18Å; D221-T225 VanDerWaalsContact O-CB 3.27Å; D221-T225 WeakPolarHBondContact O-CB 3.43Å; D221-T225 PolarHBondContact O-N 3.4Å; D221-T225 PolarHBondContact O-OG1 3.26Å; V223-T225 VanDerWaalsContact C-N 3.29Å; V223-T225 PolarHBondContact O-N 2.96Å; T225-L227 VanDerWaalsContact C-N 3.35Å; T225-L227 PolarHBondContact O-N 3.4Å; T225-N229 WeakPolarHBondContact O-CB 3.23Å; T225-N229 PolarHBondContact O-N 3.48Å; T225-N229 VanDerWaalsContact O-N 3.09Å; T225-N229 PolarHBondContact O-ND2 3.03Å
226	R	97.3	Very high	97.4	Very high	155 Å²	155	50.6 Å²	50.6	59%	0.585	25%	0.245	S	C	*	.	H	α-helix	trans	-62.3	-42.4	176.1	-176.3	179	178.4	175.9	1.2	111.7	T222 V223 M224 N229 H230 L434	T222-R226 VanDerWaalsContact O-CB 3.32Å; T222-R226 WeakPolarHBondContact O-CB 3.17Å; T222-R226 PolarHBondContact O-N 3.33Å; V223-R226 WeakPolarHBondContact O-CB 3.38Å; V223-R226 PolarHBondContact O-N 3.17Å; V223-R226 VanDerWaalsContact O-N 3.13Å; M224-R226 VanDerWaalsContact C-N 3.34Å; M224-R226 PolarHBondContact O-N 3.02Å; R226-N229 PolarHBondContact O-N 3.45Å; R226-H230 PolarHBondContact O-N 2.88Å; R226-H230 PolarHBondContact O-ND1 2.81Å; R226-L434 HydrophobicContact CG-CD1 4.03Å
227	L	97.9	Very high	97.5	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-54.1	178.5	-68.8	176.8	0	0	0	111.3	V223 M224 T225 N229 H230 L231 F233 K427 A430 L434	V223-L227 HydrophobicContact CG1-CD1 4.11Å; V223-L227 HydrophobicContact CG1-CG 4.37Å; V223-L227 VanDerWaalsContact O-CG 3.3Å; V223-L227 WeakPolarHBondContact O-CG 3.45Å; V223-L227 PolarHBondContact O-N 2.78Å; M224-L227 PolarHBondContact O-N 3.05Å; M224-L227 HydrophobicContact SD-CD1 4.43Å; T225-L227 VanDerWaalsContact C-N 3.35Å; T225-L227 PolarHBondContact O-N 3.4Å; L227-N229 PolarHBondContact O-N 3.13Å; L227-H230 PolarHBondContact O-N 3.44Å; L227-H230 VanDerWaalsContact O-N 3.07Å; L227-L231 HydrophobicContact CD2-CD1 3.98Å; L227-L231 WeakPolarHBondContact O-CB 3.47Å; L227-L231 PolarHBondContact O-N 3.33Å; L227-F233 HydrophobicContact CB-CE2 4.14Å; L227-F233 HydrophobicContact CB-CZ 4.08Å; L227-F233 HydrophobicContact CD1-CZ 4.46Å; L227-K427 HydrophobicContact CD1-CB 4.46Å; L227-K427 HydrophobicContact CD1-CG 4.24Å; L227-A430 HydrophobicContact CD1-CB 4.08Å; L227-A430 HydrophobicContact CD2-CB 3.8Å; L227-L434 HydrophobicContact CD2-CD1 4Å
228	L	97.9	Very high	97.6	Very high	1 Å²	1	47 Å²	47	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-66.6	-24.4	-178.5	-69.5	176.6	0	0	0	113.6	L179 G180 K181 K187 A214 Y218 M224 F233	L179-L228 HydrophobicContact CB-CD2 4.03Å; G180-L228 WeakPolarHBondContact CA-O 3.16Å; K181-L228 PolarHBondContact N-O 2.91Å; K187-L228 PolarHBondContact NZ-O 3.31Å; A214-L228 HydrophobicContact CB-CD1 4.3Å; A214-L228 VanDerWaalsContact O-CD1 3.25Å; A214-L228 WeakPolarHBondContact O-CD1 3.34Å; Y218-L228 HydrophobicContact CD2-CB 3.85Å; Y218-L228 HydrophobicContact CD2-CD1 3.63Å; Y218-L228 HydrophobicContact CD2-CG 4.35Å; Y218-L228 HydrophobicContact CE2-CB 3.87Å; Y218-L228 HydrophobicContact CE2-CD1 4.44Å; Y218-L228 HydrophobicContact CG-CD1 4.11Å; M224-L228 HydrophobicContact CG-CD1 4.09Å; M224-L228 HydrophobicContact CG-CG 4.38Å; M224-L228 PolarHBondContact O-N 3.48Å; M224-L228 HydrophobicContact SD-CD1 4.42Å; M224-L228 HydrophobicContact SD-CG 4.26Å; L228-F233 HydrophobicContact CD2-CD2 3.82Å; L228-F233 HydrophobicContact CD2-CE2 3.99Å
229	N	96.8	Very high	97.8	Very high	56 Å²	56	45.8 Å²	45.8	30%	0.299	22%	0.215	S	C	.	.	H	α-helix	trans	-74.8	-27.8	173	-73.9	-15.2	0	0	0	113.2	K187 Y218 T225 R226 L227	K187-N229 WeakPolarHBondContact CD-O 3.46Å; Y218-N229 WeakPolarHBondContact CE2-OD1 3.37Å; Y218-N229 PolarHBondContact OH-OD1 3.41Å; T225-N229 WeakPolarHBondContact O-CB 3.23Å; T225-N229 PolarHBondContact O-N 3.48Å; T225-N229 VanDerWaalsContact O-N 3.09Å; T225-N229 PolarHBondContact O-ND2 3.03Å; R226-N229 PolarHBondContact O-N 3.45Å; L227-N229 PolarHBondContact O-N 3.13Å
230	H	96.9	Very high	97.9	Very high	104 Å²	104	38 Å²	38	48%	0.481	18%	0.182	S	C	.	.	H	α-helix	trans	-118.5	-11.3	-171.3	-64.2	86.7	0	0	0	114.9	K187 R226 L227 L434	K187-H230 WeakPolarHBondContact CB-O 3.08Å; R226-H230 PolarHBondContact O-N 2.88Å; R226-H230 PolarHBondContact O-ND1 2.81Å; L227-H230 PolarHBondContact O-N 3.44Å; L227-H230 VanDerWaalsContact O-N 3.07Å; H230-L434 HydrophobicContact CB-CD1 4.4Å; H230-L434 HydrophobicContact CB-CD2 3.61Å
231	L	97.9	Very high	98.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.9	176.1	-59.6	177.9	0	0	0	110.9	K187 K188 L227 F233 A430 L434	K187-L231 PolarHBondContact NZ-O 3.07Å; K188-L231 HydrophobicContact CB-CD2 3.67Å; K188-L231 CarbonylContact O-C 3.58Å; K188-L231 VanDerWaalsContact O-CA 3.28Å; K188-L231 WeakPolarHBondContact O-CA 3.39Å; L227-L231 HydrophobicContact CD2-CD1 3.98Å; L227-L231 WeakPolarHBondContact O-CB 3.47Å; L227-L231 PolarHBondContact O-N 3.33Å; L231-F233 HydrophobicContact CB-CE2 3.96Å; L231-F233 HydrophobicContact CB-CZ 4.24Å; L231-F233 HydrophobicContact CD1-CE2 4.49Å; L231-F233 HydrophobicContact CD1-CZ 3.96Å; L231-A430 HydrophobicContact CD1-CB 4.05Å; L231-L434 HydrophobicContact CD1-CD2 4.36Å; L231-L434 HydrophobicContact CD2-CD2 3.83Å; L231-L434 HydrophobicContact CG-CD2 3.89Å
232	D	98.3	Very high	98.1	Very high	14 Å²	14	26.4 Å²	26.4	8%	0.075	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.1	158.8	-69	-51.1	0	0	0	109.6	Q178 L179 K187 K188 S189 M190 F234	Q178-D232 HydrophobicContact CG-CB 4.44Å; Q178-D232 PolarHBondContact NE2-OD1 3.45Å; L179-D232 CarbonylContact O-C 3.54Å; L179-D232 WeakPolarHBondContact O-CA 3.32Å; K187-D232 WeakPolarHBondContact CE-OD1 3.46Å; K187-D232 VanDerWaalsContact CE-OD2 3.3Å; K187-D232 WeakPolarHBondContact CE-OD2 3.42Å; K187-D232 IonicContact NZ-OD1 3.31Å; K187-D232 PolarHBondContact NZ-OD1 3.16Å; K187-D232 IonicContact NZ-OD2 2.77Å; K188-D232 PolarHBondContact O-N 3.26Å; S189-D232 CarbonylContact C-O 3.57Å; S189-D232 WeakPolarHBondContact CA-O 3.18Å; S189-D232 WeakPolarHBondContact CB-O 3.5Å; M190-D232 PolarHBondContact N-O 2.74Å; D232-F234 HydrophobicContact CB-CE2 4.29Å
233	F	98.8	Very high	98.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.6	172.7	-60.8	-95.7	0	0	0	109.3	Q178 L179 M190 I192 F210 L227 L228 L231 I235 A430	Q178-F233 CarbonylContact C-O 3.59Å; Q178-F233 WeakPolarHBondContact CA-O 2.99Å; L179-F233 HydrophobicContact CB-CB 4.24Å; L179-F233 PolarHBondContact N-O 2.75Å; L179-F233 PolarHBondContact O-N 3.27Å; M190-F233 HydrophobicContact CB-CD1 4.03Å; M190-F233 HydrophobicContact CB-CE1 4.32Å; M190-F233 HydrophobicContact CG-CD1 4.22Å; M190-F233 HydrophobicContact CG-CE1 4.45Å; M190-F233 CarbonylContact O-C 3.57Å; M190-F233 WeakPolarHBondContact O-CA 3.29Å; M190-F233 HydrophobicContact SD-CD1 4.05Å; M190-F233 HydrophobicContact SD-CE1 3.72Å; I192-F233 HydrophobicContact CD1-CD1 4.35Å; F210-F233 HydrophobicContact CE1-CB 4.29Å; F210-F233 HydrophobicContact CE1-CD1 4.09Å; F210-F233 HydrophobicContact CE1-CG 4.15Å; F210-F233 AromaticContact CZ-CD1 3.72Å; F210-F233 HydrophobicContact CZ-CD1 3.72Å; F210-F233 AromaticContact CZ-CE1 3.88Å; F210-F233 HydrophobicContact CZ-CE1 3.88Å; F210-F233 HydrophobicContact CZ-CG 4.15Å; F210-F233 HydrophobicContact CZ-CZ 4.42Å; L227-F233 HydrophobicContact CB-CE2 4.14Å; L227-F233 HydrophobicContact CB-CZ 4.08Å; L227-F233 HydrophobicContact CD1-CZ 4.46Å; L228-F233 HydrophobicContact CD2-CD2 3.82Å; L228-F233 HydrophobicContact CD2-CE2 3.99Å; L231-F233 HydrophobicContact CB-CE2 3.96Å; L231-F233 HydrophobicContact CB-CZ 4.24Å; L231-F233 HydrophobicContact CD1-CE2 4.49Å; L231-F233 HydrophobicContact CD1-CZ 3.96Å; F233-I235 HydrophobicContact CB-CD1 3.89Å; F233-I235 HydrophobicContact CB-CG1 4.32Å; F233-A430 HydrophobicContact CE1-CB 3.9Å; F233-A430 HydrophobicContact CZ-CB 3.96Å
234	F	98.9	Very high	98.3	Very high	11 Å²	11	18.2 Å²	18.2	5%	0.048	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	106.4	170.8	-67.5	-79.6	0	0	0	108.3	L163 V176 Q178 M190 W191 I192 D232 F310 M318	L163-F234 HydrophobicContact CD1-CD1 4.35Å; L163-F234 HydrophobicContact CD1-CE1 4.01Å; V176-F234 HydrophobicContact CG1-CB 3.96Å; V176-F234 HydrophobicContact CG1-CD1 4.15Å; Q178-F234 HydrophobicContact CB-CD1 3.9Å; Q178-F234 HydrophobicContact CB-CE1 3.72Å; Q178-F234 HydrophobicContact CG-CD1 4.11Å; Q178-F234 HydrophobicContact CG-CE1 3.62Å; Q178-F234 HydrophobicContact CG-CZ 4.03Å; M190-F234 PolarHBondContact O-N 2.85Å; W191-F234 HydrophobicContact CD2-CB 4.43Å; W191-F234 HydrophobicContact CE3-CB 3.53Å; W191-F234 HydrophobicContact CE3-CG 4.41Å; W191-F234 HydrophobicContact CZ3-CB 3.98Å; I192-F234 PolarHBondContact N-O 2.95Å; D232-F234 HydrophobicContact CB-CE2 4.29Å; F234-F310 HydrophobicContact CD1-CE1 4.16Å; F234-F310 AromaticContact CD1-CZ 3.64Å; F234-F310 HydrophobicContact CD1-CZ 3.64Å; F234-F310 HydrophobicContact CD2-CE1 4.38Å; F234-F310 HydrophobicContact CD2-CZ 4.4Å; F234-F310 HydrophobicContact CE1-CE1 4.48Å; F234-F310 AromaticContact CE1-CZ 3.64Å; F234-F310 HydrophobicContact CE1-CZ 3.64Å; F234-F310 HydrophobicContact CE2-CZ 4.38Å; F234-F310 HydrophobicContact CG-CE1 4.1Å; F234-F310 HydrophobicContact CG-CZ 4.04Å; F234-F310 HydrophobicContact CZ-CZ 4.02Å; F234-M318 HydrophobicContact CD2-CE 3.81Å; F234-M318 HydrophobicContact CE2-CE 4.21Å
235	I	98.9	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.3	-176.6	-48.3	-57.6	0	0	0	109	V176 L177 L179 I192 C207 F210 V211 F233 P237	V176-I235 CarbonylContact C-O 3.51Å; V176-I235 WeakPolarHBondContact CA-O 3.25Å; V176-I235 WeakPolarHBondContact CG1-O 3.44Å; L177-I235 PolarHBondContact N-O 2.86Å; L177-I235 PolarHBondContact O-N 2.98Å; L179-I235 HydrophobicContact CD1-CG1 3.97Å; L179-I235 HydrophobicContact CG-CG1 4.21Å; I192-I235 HydrophobicContact CB-CD1 3.69Å; I192-I235 HydrophobicContact CD1-CD1 3.71Å; I192-I235 HydrophobicContact CG1-CD1 3.87Å; I192-I235 CarbonylContact O-C 3.59Å; I192-I235 WeakPolarHBondContact O-CA 3.09Å; C207-I235 HydrophobicContact CB-CG2 3.92Å; F210-I235 HydrophobicContact CD1-CD1 3.7Å; F210-I235 HydrophobicContact CD1-CG1 4.11Å; F210-I235 HydrophobicContact CE1-CD1 3.69Å; F210-I235 HydrophobicContact CE1-CG1 4.28Å; V211-I235 HydrophobicContact CG2-CB 4.24Å; V211-I235 HydrophobicContact CG2-CG1 4.15Å; V211-I235 HydrophobicContact CG2-CG2 4.05Å; F233-I235 HydrophobicContact CB-CD1 3.89Å; F233-I235 HydrophobicContact CB-CG1 4.32Å; I235-P237 HydrophobicContact CG2-CG 4.43Å; I235-P237 WeakPolarHBondContact O-CD 3.45Å
236	M	98.9	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	94.6	171.7	-170.8	173.2	-167.4	0	0	109.1	L174 V176 W191 I192 D193 C194 V238 F239 V307	L174-M236 HydrophobicContact CB-CE 3.91Å; L174-M236 HydrophobicContact CD2-CE 4.16Å; V176-M236 HydrophobicContact CG2-CB 4.09Å; V176-M236 HydrophobicContact CG2-CG 4.17Å; V176-M236 HydrophobicContact CG2-SD 4.44Å; W191-M236 HydrophobicContact CH2-CB 4.06Å; W191-M236 HydrophobicContact CH2-SD 4.11Å; W191-M236 HydrophobicContact CZ2-CB 3.8Å; W191-M236 HydrophobicContact CZ2-CG 4.45Å; W191-M236 HydrophobicContact CZ2-SD 3.87Å; I192-M236 PolarHBondContact O-N 3.38Å; D193-M236 HydrophobicContact CB-CB 4.07Å; C194-M236 PolarHBondContact N-O 3.08Å; M236-V238 VanDerWaalsContact C-N 3.29Å; M236-V238 PolarHBondContact O-N 2.82Å; M236-F239 HydrophobicContact SD-CB 4.28Å; M236-F239 HydrophobicContact SD-CD2 3.85Å; M236-F239 HydrophobicContact SD-CG 4.33Å; M236-V307 HydrophobicContact CE-CG2 4.3Å; M236-V307 HydrophobicContact SD-CG2 3.65Å
237	P	98.8	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-62.6	-33.6	-173.3	-24.1	34.4	0	0	0	114.2	I145 W148 M149 C194 P204 C207 Q208 I235	I145-P237 HydrophobicContact CG2-CB 4.04Å; W148-P237 HydrophobicContact CZ3-CG 3.98Å; M149-P237 HydrophobicContact CE-CG 3.92Å; M149-P237 HydrophobicContact CG-CG 4.42Å; M149-P237 HydrophobicContact SD-CG 4.01Å; C194-P237 VanDerWaalsContact CB-O 3.3Å; C194-P237 WeakPolarHBondContact CB-O 3.29Å; P204-P237 WeakPolarHBondContact CA-O 3.28Å; P204-P237 WeakPolarHBondContact CB-O 3.49Å; C207-P237 HydrophobicContact CB-CB 4.06Å; C207-P237 HydrophobicContact CB-CG 4.5Å; Q208-P237 HydrophobicContact CG-CB 4.48Å; I235-P237 HydrophobicContact CG2-CG 4.43Å; I235-P237 WeakPolarHBondContact O-CD 3.45Å
238	V	98.9	Very high	98.3	Very high	7 Å²	7	17.4 Å²	17.4	4%	0.042	8%	0.078	C	C	.	.			trans	-136.4	105.1	177.8	-172.7	0	0	0	0	109.2	L142 I145 P204 M236 V241 Y244	L142-V238 HydrophobicContact CD1-CB 4.28Å; L142-V238 HydrophobicContact CD1-CG1 4.23Å; L142-V238 HydrophobicContact CD1-CG2 4.31Å; I145-V238 HydrophobicContact CD1-CG2 3.76Å; I145-V238 HydrophobicContact CG2-CG2 4.31Å; P204-V238 HydrophobicContact CB-CG2 4.14Å; P204-V238 HydrophobicContact CG-CG2 4.3Å; M236-V238 VanDerWaalsContact C-N 3.29Å; M236-V238 PolarHBondContact O-N 2.82Å; V238-V241 HydrophobicContact CB-CG1 4.13Å; V238-V241 HydrophobicContact CG1-CB 4.42Å; V238-V241 HydrophobicContact CG1-CG1 3.93Å; V238-V241 WeakPolarHBondContact O-CG1 3.29Å; V238-Y244 HydrophobicContact CG1-CD1 4.05Å; V238-Y244 HydrophobicContact CG1-CG 3.82Å; V238-Y244 HydrophobicContact CG2-CD1 4.2Å; V238-Y244 HydrophobicContact CG2-CE1 4.37Å
239	F	98.9	Very high	98.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-71.4	-53.6	176.6	-175.7	-75.8	0	0	0	111.5	D193 C194 V196 M236 V241 A271 W275 E303 V304 V307	D193-F239 HydrophobicContact CB-CD2 4.19Å; C194-F239 WeakPolarHBondContact O-CB 3.42Å; C194-F239 PolarHBondContact O-N 2.85Å; V196-F239 HydrophobicContact CB-CB 4.48Å; V196-F239 HydrophobicContact CB-CD1 4.5Å; V196-F239 HydrophobicContact CG1-CD1 4.41Å; V196-F239 HydrophobicContact CG2-CB 3.85Å; V196-F239 HydrophobicContact CG2-CD1 4.2Å; V196-F239 HydrophobicContact CG2-CD2 4.11Å; V196-F239 HydrophobicContact CG2-CG 3.81Å; M236-F239 HydrophobicContact SD-CB 4.28Å; M236-F239 HydrophobicContact SD-CD2 3.85Å; M236-F239 HydrophobicContact SD-CG 4.33Å; F239-V241 PolarHBondContact O-N 3.35Å; F239-A271 HydrophobicContact CD1-CB 4.5Å; F239-A271 HydrophobicContact CE1-CB 4.01Å; F239-W275 HydrophobicContact CE2-CH2 4.33Å; F239-W275 AromaticContact CE2-CZ2 3.89Å; F239-W275 HydrophobicContact CE2-CZ2 3.89Å; F239-W275 AromaticContact CZ-CZ2 3.83Å; F239-W275 HydrophobicContact CZ-CZ2 3.83Å; F239-E303 HydrophobicContact CD1-CB 4.2Å; F239-E303 HydrophobicContact CE1-CB 3.79Å; F239-E303 HydrophobicContact CZ-CB 4.49Å; F239-V304 HydrophobicContact CE1-CG2 3.9Å; F239-V304 HydrophobicContact CZ-CB 4.4Å; F239-V304 HydrophobicContact CZ-CG2 3.85Å; F239-V307 HydrophobicContact CD2-CG2 3.96Å; F239-V307 HydrophobicContact CE2-CB 3.86Å; F239-V307 HydrophobicContact CE2-CG1 4.16Å; F239-V307 HydrophobicContact CE2-CG2 3.5Å; F239-V307 HydrophobicContact CZ-CB 4.48Å; F239-V307 HydrophobicContact CZ-CG2 4.25Å
240	N	98.9	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-95.9	72.8	-178.9	177.9	9.6	0	0	0	110.2	G195 V196 D242 G243 Y244 R255 K256	G195-N240 WeakPolarHBondContact O-CB 3.48Å; G195-N240 PolarHBondContact O-N 3.36Å; V196-N240 WeakPolarHBondContact O-CB 3.41Å; V196-N240 PolarHBondContact O-ND2 3.31Å; N240-D242 VanDerWaalsContact C-N 3.28Å; N240-D242 PolarHBondContact O-N 2.9Å; N240-G243 PolarHBondContact O-N 3.32Å; N240-G243 WeakPolarHBondContact OD1-CA 3.28Å; N240-G243 PolarHBondContact OD1-N 3.06Å; N240-Y244 WeakPolarHBondContact O-CB 3.33Å; N240-Y244 PolarHBondContact O-N 3.43Å; N240-R255 PolarHBondContact ND2-O 2.93Å; N240-K256 PolarHBondContact ND2-O 2.89Å
241	V	98.9	Very high	98	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.018	9%	0.09	C	C	.	.	H	α-helix	trans	-60	-35.7	-174.7	-64	0	0	0	0	113.1	L142 S168 R172 L174 V238 F239 R245	L142-V241 HydrophobicContact CD1-CB 4.02Å; L142-V241 HydrophobicContact CD1-CG1 3.91Å; L142-V241 HydrophobicContact CD2-CB 3.98Å; S168-V241 VanDerWaalsContact CB-CG2 3.45Å; R172-V241 HydrophobicContact CB-CG2 3.83Å; L174-V241 HydrophobicContact CD2-CG1 4.24Å; L174-V241 HydrophobicContact CD2-CG2 3.75Å; V238-V241 HydrophobicContact CB-CG1 4.13Å; V238-V241 HydrophobicContact CG1-CB 4.42Å; V238-V241 HydrophobicContact CG1-CG1 3.93Å; V238-V241 WeakPolarHBondContact O-CG1 3.29Å; F239-V241 PolarHBondContact O-N 3.35Å; V241-R245 WeakPolarHBondContact O-CB 3.28Å; V241-R245 PolarHBondContact O-N 2.56Å; V241-R245 VanDerWaalsContact O-N 3.12Å
242	D	98.9	Very high	98	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-72.8	-46.2	-179.6	-62.5	-13.3	0	0	0	111.5	S168 Y169 E170 R172 N240 F246 R258	S168-D242 VanDerWaalsContact CB-CG 3.48Å; S168-D242 VanDerWaalsContact CB-OD1 3.28Å; S168-D242 WeakPolarHBondContact CB-OD1 3.43Å; S168-D242 VanDerWaalsContact CB-OD2 3.27Å; S168-D242 WeakPolarHBondContact CB-OD2 3.46Å; S168-D242 PolarHBondContact OG-OD1 3.08Å; S168-D242 PolarHBondContact OG-OD2 3.38Å; S168-D242 VanDerWaalsContact OG-OD2 3.06Å; Y169-D242 PolarHBondContact N-OD2 2.99Å; E170-D242 WeakPolarHBondContact CB-OD2 3.46Å; E170-D242 HydrophobicContact CG-CB 4.33Å; E170-D242 WeakPolarHBondContact CG-OD2 3.05Å; E170-D242 PolarHBondContact N-OD2 3.37Å; R172-D242 IonicContact CZ-OD1 2.68Å; R172-D242 VanDerWaalsContact NH1-CG 3.33Å; R172-D242 IonicContact NH1-OD1 3.94Å; R172-D242 PolarHBondContact NH1-OD1 3.41Å; N240-D242 VanDerWaalsContact C-N 3.28Å; N240-D242 PolarHBondContact O-N 2.9Å; D242-F246 WeakPolarHBondContact O-CB 3.23Å; D242-F246 PolarHBondContact O-N 2.7Å; D242-R258 HydrophobicContact CB-CB 3.76Å; D242-R258 HydrophobicContact CB-CG 3.69Å
243	G	98.9	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-45.7	175.5	0	0	0	0	0	111.3	A198 N240 R245 F246 S247	A198-G243 VanDerWaalsContact CB-O 3.23Å; A198-G243 WeakPolarHBondContact CB-O 3.49Å; N240-G243 PolarHBondContact O-N 3.32Å; N240-G243 WeakPolarHBondContact OD1-CA 3.28Å; N240-G243 PolarHBondContact OD1-N 3.06Å; G243-R245 PolarHBondContact O-N 3.02Å; G243-F246 CarbonylContact O-C 3.48Å; G243-F246 WeakPolarHBondContact O-CA 3.27Å; G243-F246 WeakPolarHBondContact O-CB 3.31Å; G243-F246 PolarHBondContact O-N 3.39Å; G243-F246 VanDerWaalsContact O-N 3.07Å; G243-S247 PolarHBondContact O-N 3.27Å
244	Y	98.9	Very high	97.9	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-57.4	-50.4	179.6	-171.7	-108.8	0	0	0	110.7	H140 L142 I145 W201 P204 V238 N240 F246 S247 W248	H140-Y244 WeakPolarHBondContact O-CE1 3.32Å; H140-Y244 PolarHBondContact O-OH 3.34Å; L142-Y244 HydrophobicContact CB-CD1 4.18Å; I145-Y244 HydrophobicContact CD1-CE1 3.83Å; W201-Y244 AromaticContact CD1-CE2 3.52Å; W201-Y244 HydrophobicContact CG-CE2 4.12Å; W201-Y244 AromaticContact NE1-CE2 3.89Å; P204-Y244 HydrophobicContact CB-CE2 4.3Å; P204-Y244 HydrophobicContact CG-CD2 4.25Å; P204-Y244 HydrophobicContact CG-CE2 3.82Å; V238-Y244 HydrophobicContact CG1-CD1 4.05Å; V238-Y244 HydrophobicContact CG1-CG 3.82Å; V238-Y244 HydrophobicContact CG2-CD1 4.2Å; V238-Y244 HydrophobicContact CG2-CE1 4.37Å; N240-Y244 WeakPolarHBondContact O-CB 3.33Å; N240-Y244 PolarHBondContact O-N 3.43Å; Y244-F246 VanDerWaalsContact C-N 3.28Å; Y244-F246 PolarHBondContact O-N 2.6Å; Y244-S247 WeakPolarHBondContact O-CB 3.36Å; Y244-S247 PolarHBondContact O-N 3.19Å; Y244-S247 PolarHBondContact O-OG 3.15Å; Y244-W248 AromaticContact CE1-CD1 3.79Å; Y244-W248 AromaticContact CE1-NE1 3.34Å; Y244-W248 VanDerWaalsContact CE1-NE1 3.34Å; Y244-W248 AromaticContact CE2-NE1 3.86Å; Y244-W248 AromaticContact CZ-CD1 3.97Å; Y244-W248 AromaticContact CZ-NE1 3.22Å; Y244-W248 PolarHBondContact O-N 3.06Å; Y244-W248 PolarHBondContact OH-NE1 3.31Å
245	R	98.6	Very high	97.9	Very high	89 Å²	89	20.5 Å²	20.5	34%	0.336	10%	0.096	S	C	.	.	H	α-helix	trans	-61.4	-34.7	175.7	-171.9	176	-178.6	-87.6	-4.1	113.1	L142 E143 R172 V241 G243 S247 W248 N249	L142-R245 HydrophobicContact CB-CB 4.38Å; L142-R245 HydrophobicContact CD2-CB 4.08Å; E143-R245 WeakPolarHBondContact OE1-CD 3.39Å; E143-R245 IonicContact OE1-CZ 3.26Å; E143-R245 IonicContact OE1-NE 3.45Å; E143-R245 PolarHBondContact OE1-NE 3.27Å; E143-R245 IonicContact OE1-NH2 3.48Å; R172-R245 VanDerWaalsContact NH2-NH1 3.16Å; V241-R245 WeakPolarHBondContact O-CB 3.28Å; V241-R245 PolarHBondContact O-N 2.56Å; V241-R245 VanDerWaalsContact O-N 3.12Å; G243-R245 PolarHBondContact O-N 3.02Å; R245-S247 VanDerWaalsContact C-N 3.33Å; R245-W248 PolarHBondContact O-N 3.08Å; R245-N249 WeakPolarHBondContact CG-ND2 3.33Å; R245-N249 PolarHBondContact O-N 3.04Å; R245-N249 PolarHBondContact O-ND2 3.04Å
246	F	98.6	Very high	97.8	Very high	39 Å²	39	20.7 Å²	20.7	17%	0.171	10%	0.097	C	C	.	.	H	α-helix	trans	-67.5	-34.5	174.8	-169.8	-102.3	0	0	0	112	D242 G243 Y244 W248 N249 T250 D251 W254 R258	D242-F246 WeakPolarHBondContact O-CB 3.23Å; D242-F246 PolarHBondContact O-N 2.7Å; G243-F246 CarbonylContact O-C 3.48Å; G243-F246 WeakPolarHBondContact O-CA 3.27Å; G243-F246 WeakPolarHBondContact O-CB 3.31Å; G243-F246 PolarHBondContact O-N 3.39Å; G243-F246 VanDerWaalsContact O-N 3.07Å; Y244-F246 VanDerWaalsContact C-N 3.28Å; Y244-F246 PolarHBondContact O-N 2.6Å; F246-W248 VanDerWaalsContact C-N 3.3Å; F246-W248 PolarHBondContact O-N 2.85Å; F246-N249 PolarHBondContact O-N 3.31Å; F246-T250 HydrophobicContact CD2-CG2 4.29Å; F246-T250 HydrophobicContact CE1-CG2 4.23Å; F246-T250 HydrophobicContact CE2-CG2 3.44Å; F246-T250 VanDerWaalsContact CE2-CG2 3.44Å; F246-T250 HydrophobicContact CZ-CG2 3.4Å; F246-T250 VanDerWaalsContact CZ-CG2 3.4Å; F246-T250 PolarHBondContact O-N 2.97Å; F246-D251 HydrophobicContact CD1-CB 4.1Å; F246-D251 HydrophobicContact CE1-CB 3.55Å; F246-D251 HydrophobicContact CZ-CB 4.33Å; F246-D251 PolarHBondContact O-N 3.01Å; F246-W254 HydrophobicContact CD1-CB 3.7Å; F246-W254 AromaticContact CD1-CD1 3.95Å; F246-W254 AromaticContact CD1-CD2 3.71Å; F246-W254 HydrophobicContact CD1-CD2 3.71Å; F246-W254 HydrophobicContact CD1-CE3 4.14Å; F246-W254 AromaticContact CD1-CG 3.48Å; F246-W254 HydrophobicContact CD1-CG 3.48Å; F246-W254 VanDerWaalsContact CD1-CG 3.48Å; F246-W254 HydrophobicContact CE1-CB 4.19Å; F246-W254 AromaticContact CE1-CD2 3.76Å; F246-W254 HydrophobicContact CE1-CD2 3.76Å; F246-W254 AromaticContact CE1-CE3 3.69Å; F246-W254 HydrophobicContact CE1-CE3 3.69Å; F246-W254 AromaticContact CE1-CG 3.98Å; F246-W254 HydrophobicContact CE1-CG 3.98Å; F246-W254 HydrophobicContact CE1-CZ3 4.41Å; F246-R258 HydrophobicContact CB-CG 4.42Å; F246-R258 VanDerWaalsContact CE2-NH2 3.28Å
247	S	98	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.9	-28	175.2	78.2	0	0	0	0	113.9	Y33 A198 W201 G243 Y244 R245 D251 R252	Y33-S247 WeakPolarHBondContact CE1-O 3.33Å; Y33-S247 PolarHBondContact OH-O 3.08Å; A198-S247 PolarHBondContact O-OG 3.27Å; W201-S247 PolarHBondContact NE1-OG 2.85Å; G243-S247 PolarHBondContact O-N 3.27Å; Y244-S247 WeakPolarHBondContact O-CB 3.36Å; Y244-S247 PolarHBondContact O-N 3.19Å; Y244-S247 PolarHBondContact O-OG 3.15Å; R245-S247 VanDerWaalsContact C-N 3.33Å; S247-D251 VanDerWaalsContact CA-O 3.24Å; S247-D251 WeakPolarHBondContact CA-O 3.2Å; S247-R252 WeakPolarHBondContact O-CA 3.39Å
248	W	95.9	Very high	97.8	Very high	40 Å²	40	21.7 Å²	21.7	15%	0.152	10%	0.101	C	C	.	.	H	α-helix	trans	-74.7	-38.3	172.9	-84	84	0	0	0	112.9	Y33 Y139 H140 W201 Y244 R245 F246	Y33-W248 WeakPolarHBondContact CE1-O 3.31Å; Y33-W248 PolarHBondContact OH-O 2.66Å; Y139-W248 WeakPolarHBondContact O-CH2 3.28Å; H140-W248 WeakPolarHBondContact O-CZ2 3.24Å; H140-W248 PolarHBondContact O-NE1 3.18Å; W201-W248 AromaticContact CE2-NE1 3.83Å; W201-W248 HydrophobicContact CE3-CZ2 4.3Å; W201-W248 HydrophobicContact CH2-CD2 4.03Å; W201-W248 AromaticContact CH2-CE2 3.98Å; W201-W248 HydrophobicContact CH2-CE3 4.35Å; W201-W248 HydrophobicContact CH2-CG 4.42Å; W201-W248 HydrophobicContact CH2-CZ2 4.24Å; W201-W248 AromaticContact CZ2-CD1 3.86Å; W201-W248 HydrophobicContact CZ2-CD2 4.05Å; W201-W248 AromaticContact CZ2-CE2 3.94Å; W201-W248 HydrophobicContact CZ2-CG 4.01Å; W201-W248 AromaticContact CZ2-NE1 3.83Å; W201-W248 HydrophobicContact CZ3-CH2 4.36Å; W201-W248 HydrophobicContact CZ3-CZ2 4.11Å; Y244-W248 AromaticContact CE1-CD1 3.79Å; Y244-W248 AromaticContact CE1-NE1 3.34Å; Y244-W248 VanDerWaalsContact CE1-NE1 3.34Å; Y244-W248 AromaticContact CE2-NE1 3.86Å; Y244-W248 AromaticContact CZ-CD1 3.97Å; Y244-W248 AromaticContact CZ-NE1 3.22Å; Y244-W248 PolarHBondContact O-N 3.06Å; Y244-W248 PolarHBondContact OH-NE1 3.31Å; R245-W248 PolarHBondContact O-N 3.08Å; F246-W248 VanDerWaalsContact C-N 3.3Å; F246-W248 PolarHBondContact O-N 2.85Å
249	N	94	Very high	97.8	Very high	95 Å²	95	22 Å²	22	51%	0.508	10%	0.103	S	C	.	.	H	α-helix	trans	-108.1	-15.7	-164.7	-63.4	-49.7	0	0	0	114.9	R245 F246	R245-N249 WeakPolarHBondContact CG-ND2 3.33Å; R245-N249 PolarHBondContact O-N 3.04Å; R245-N249 PolarHBondContact O-ND2 3.04Å; F246-N249 PolarHBondContact O-N 3.31Å
250	T	95.3	Very high	97.7	Very high	67 Å²	67	26.9 Å²	26.9	41%	0.411	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.9	-51	-169.2	-50.4	0	0	0	0	113.9	F246	F246-T250 HydrophobicContact CD2-CG2 4.29Å; F246-T250 HydrophobicContact CE1-CG2 4.23Å; F246-T250 HydrophobicContact CE2-CG2 3.44Å; F246-T250 VanDerWaalsContact CE2-CG2 3.44Å; F246-T250 HydrophobicContact CZ-CG2 3.4Å; F246-T250 VanDerWaalsContact CZ-CG2 3.4Å; F246-T250 PolarHBondContact O-N 2.97Å
251	D	96.1	Very high	97.4	Very high	23 Å²	23	28.6 Å²	28.6	12%	0.123	13%	0.134	C	C	.	.			trans	-142	97.3	-177	-166.9	-29.3	0	0	0	111.3	R36 Y37 F246 S247 F253 W254	R36-D251 IonicContact CZ-OD2 3.05Å; R36-D251 IonicContact NE-OD2 3.32Å; R36-D251 PolarHBondContact NE-OD2 3.37Å; R36-D251 IonicContact NH2-OD2 3.15Å; R36-D251 PolarHBondContact NH2-OD2 3.5Å; Y37-D251 VanDerWaalsContact OH-C 3.31Å; Y37-D251 VanDerWaalsContact OH-CA 3.25Å; Y37-D251 WeakPolarHBondContact OH-CA 3.39Å; Y37-D251 PolarHBondContact OH-OD1 2.57Å; F246-D251 HydrophobicContact CD1-CB 4.1Å; F246-D251 HydrophobicContact CE1-CB 3.55Å; F246-D251 HydrophobicContact CZ-CB 4.33Å; F246-D251 PolarHBondContact O-N 3.01Å; S247-D251 VanDerWaalsContact CA-O 3.24Å; S247-D251 WeakPolarHBondContact CA-O 3.2Å; D251-F253 PolarHBondContact O-N 2.99Å; D251-F253 PolarHBondContact OD1-N 3.04Å; D251-W254 HydrophobicContact CB-CB 4.19Å; D251-W254 WeakPolarHBondContact O-CB 3.15Å; D251-W254 PolarHBondContact O-N 3.07Å
252	R	96.8	Very high	96.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-30.7	-177.6	-178.6	56.4	-174.9	82.7	-0.7	114.6	Y33 Y37 I116 R199 W201 S247 F408 L409	Y33-R252 HydrophobicContact CD2-CB 4.46Å; Y33-R252 HydrophobicContact CE1-CB 4.02Å; Y33-R252 HydrophobicContact CE2-CB 3.94Å; Y33-R252 HydrophobicContact CE2-CG 4.43Å; Y33-R252 WeakPolarHBondContact OH-CD 3.35Å; Y37-R252 HydrophobicContact CE2-CB 3.98Å; Y37-R252 PolarHBondContact OH-N 3.16Å; I116-R252 HydrophobicContact CD1-CB 4.2Å; I116-R252 HydrophobicContact CD1-CG 4.13Å; I116-R252 HydrophobicContact CG1-CG 4.23Å; R199-R252 WeakPolarHBondContact CB-O 3.48Å; R199-R252 PolarHBondContact O-NH1 3.36Å; W201-R252 VanDerWaalsContact CH2-CD 3.5Å; S247-R252 WeakPolarHBondContact O-CA 3.39Å; R252-F408 PolarHBondContact NH2-O 2.83Å; R252-L409 HydrophobicContact CG-CD2 4.11Å
253	F	96.9	Very high	96.5	Very high	9 Å²	9	43.5 Å²	43.5	4%	0.039	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	11.4	-178.4	-58.8	-70.5	0	0	0	113.3	Y37 W68 L112 I116 R199 D251 R255 F408 L409	Y37-F253 AromaticContact CD1-CD2 3.98Å; Y37-F253 HydrophobicContact CD1-CD2 3.98Å; Y37-F253 AromaticContact CD1-CE2 3.94Å; Y37-F253 HydrophobicContact CD1-CE2 3.94Å; Y37-F253 AromaticContact CE1-CD2 3.47Å; Y37-F253 HydrophobicContact CE1-CD2 3.47Å; Y37-F253 VanDerWaalsContact CE1-CD2 3.47Å; Y37-F253 AromaticContact CE1-CE2 3.87Å; Y37-F253 HydrophobicContact CE1-CE2 3.87Å; Y37-F253 HydrophobicContact CE2-CE2 4.48Å; Y37-F253 HydrophobicContact CG-CE2 4.29Å; Y37-F253 AromaticContact CZ-CD2 3.77Å; W68-F253 AromaticContact CH2-CE1 3.83Å; W68-F253 HydrophobicContact CH2-CE1 3.83Å; W68-F253 HydrophobicContact CH2-CZ 4.41Å; W68-F253 AromaticContact CZ2-CD1 3.67Å; W68-F253 HydrophobicContact CZ2-CD1 3.67Å; W68-F253 AromaticContact CZ2-CE1 3.29Å; W68-F253 HydrophobicContact CZ2-CE1 3.29Å; W68-F253 AromaticContact CZ2-CZ 3.92Å; W68-F253 HydrophobicContact CZ2-CZ 3.92Å; L112-F253 HydrophobicContact CD1-CE2 4.18Å; L112-F253 HydrophobicContact CD1-CZ 3.64Å; L112-F253 HydrophobicContact CD2-CD2 4.08Å; L112-F253 HydrophobicContact CD2-CE2 3.26Å; L112-F253 HydrophobicContact CD2-CZ 3.58Å; L112-F253 HydrophobicContact CG-CE2 3.64Å; L112-F253 HydrophobicContact CG-CZ 3.64Å; I116-F253 HydrophobicContact CD1-CE2 3.8Å; I116-F253 HydrophobicContact CD1-CZ 4.1Å; I116-F253 HydrophobicContact CG1-CZ 4.39Å; R199-F253 VanDerWaalsContact CD-O 3.26Å; R199-F253 WeakPolarHBondContact CD-O 3.47Å; R199-F253 PolarHBondContact NH1-O 2.88Å; D251-F253 PolarHBondContact O-N 2.99Å; D251-F253 PolarHBondContact OD1-N 3.04Å; F253-R255 PolarHBondContact O-N 2.86Å; F253-F408 HydrophobicContact CD1-CD2 4.38Å; F253-F408 HydrophobicContact CE1-CB 4.44Å; F253-L409 HydrophobicContact CE1-CD2 3.98Å; F253-L409 HydrophobicContact CE1-CG 4.06Å; F253-L409 HydrophobicContact CZ-CD1 4.03Å; F253-L409 HydrophobicContact CZ-CD2 3.9Å; F253-L409 HydrophobicContact CZ-CG 4.02Å
254	W	98.1	Very high	96.1	Very high	43 Å²	43	47.3 Å²	47.3	16%	0.163	22%	0.217	C	C	.	.			trans	-58.9	132.6	169.9	-169.8	-97	0	0	0	110.8	A198 R199 F246 D251 K256 T257 R267	A198-W254 CarbonylContact C-O 3.58Å; A198-W254 VanDerWaalsContact CB-O 3.23Å; A198-W254 WeakPolarHBondContact CB-O 3.31Å; R199-W254 WeakPolarHBondContact CB-O 3.36Å; R199-W254 PolarHBondContact N-O 2.93Å; F246-W254 HydrophobicContact CD1-CB 3.7Å; F246-W254 AromaticContact CD1-CD1 3.95Å; F246-W254 AromaticContact CD1-CD2 3.71Å; F246-W254 HydrophobicContact CD1-CD2 3.71Å; F246-W254 HydrophobicContact CD1-CE3 4.14Å; F246-W254 AromaticContact CD1-CG 3.48Å; F246-W254 HydrophobicContact CD1-CG 3.48Å; F246-W254 VanDerWaalsContact CD1-CG 3.48Å; F246-W254 HydrophobicContact CE1-CB 4.19Å; F246-W254 AromaticContact CE1-CD2 3.76Å; F246-W254 HydrophobicContact CE1-CD2 3.76Å; F246-W254 AromaticContact CE1-CE3 3.69Å; F246-W254 HydrophobicContact CE1-CE3 3.69Å; F246-W254 AromaticContact CE1-CG 3.98Å; F246-W254 HydrophobicContact CE1-CG 3.98Å; F246-W254 HydrophobicContact CE1-CZ3 4.41Å; D251-W254 HydrophobicContact CB-CB 4.19Å; D251-W254 WeakPolarHBondContact O-CB 3.15Å; D251-W254 PolarHBondContact O-N 3.07Å; W254-K256 HydrophobicContact CZ2-CB 4.19Å; W254-K256 PolarHBondContact NE1-O 2.98Å; W254-T257 WeakPolarHBondContact CZ2-O 3.39Å; W254-T257 PolarHBondContact NE1-O 2.85Å; W254-T257 VanDerWaalsContact NE1-O 3.15Å; W254-R267 HydrophobicContact CH2-CB 4.02Å; W254-R267 WeakPolarHBondContact CH2-O 3.23Å; W254-R267 HydrophobicContact CZ2-CB 4.21Å; W254-R267 WeakPolarHBondContact CZ2-O 3.19Å
255	R	98.1	Very high	95.8	Very high	13 Å²	13	55.5 Å²	55.5	5%	0.049	26%	0.255	C	S	.	.			trans	-107.1	-48.6	-177.9	178.9	-176.3	169.3	85.4	-3.5	112.7	H197 A198 E200 N240 F253 D270	H197-R255 WeakPolarHBondContact CA-O 3.34Å; H197-R255 HydrophobicContact CB-CG 3.93Å; H197-R255 VanDerWaalsContact CD2-CZ 3.46Å; H197-R255 PolarHBondContact CE1-NH1 3.3Å; H197-R255 PolarHBondContact CE1-NH2 2.68Å; H197-R255 PolarHBondContact ND1-NH1 3.36Å; H197-R255 VanDerWaalsContact ND1-NH1 3.13Å; H197-R255 VanDerWaalsContact NE2-CZ 3.3Å; H197-R255 PolarHBondContact NE2-NH2 3.03Å; A198-R255 PolarHBondContact N-O 3.49Å; E200-R255 IonicContact OE1-NH1 2.82Å; N240-R255 PolarHBondContact ND2-O 2.93Å; F253-R255 PolarHBondContact O-N 2.86Å; R255-D270 IonicContact CZ-OD2 2.89Å; R255-D270 IonicContact NE-OD2 3.91Å; R255-D270 PolarHBondContact NE-OD2 2.61Å; R255-D270 IonicContact NH2-OD1 3.58Å; R255-D270 IonicContact NH2-OD2 3.06Å; R255-D270 PolarHBondContact NH2-OD2 3.42Å
256	K	98.8	Very high	95.6	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.022	25%	0.249	C	C	.	.	S	Bend	trans	-74.5	176.3	-165.9	-64.7	-164.9	-67.8	177	0	114.1	N240 W254 R267 G268 V269 P288 D290	N240-K256 PolarHBondContact ND2-O 2.89Å; W254-K256 HydrophobicContact CZ2-CB 4.19Å; W254-K256 PolarHBondContact NE1-O 2.98Å; K256-R267 WeakPolarHBondContact CE-O 3.48Å; K256-R267 PolarHBondContact NZ-O 3.46Å; K256-G268 WeakPolarHBondContact CD-O 3.29Å; K256-G268 WeakPolarHBondContact CE-O 3.12Å; K256-G268 PolarHBondContact NZ-O 2.67Å; K256-V269 WeakPolarHBondContact CA-O 3.4Å; K256-V269 WeakPolarHBondContact CB-O 3.46Å; K256-P288 PolarHBondContact NZ-O 3.26Å; K256-D290 WeakPolarHBondContact CD-O 3.33Å; K256-D290 WeakPolarHBondContact CE-O 3.25Å; K256-D290 PolarHBondContact NZ-O 3.29Å
257	T	98.8	Very high	95.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.257	C	S	.	.			trans	-64.1	-172.5	163.6	64.7	0	0	0	0	111.4	W254 S259 G268 V269 A271 E301	W254-T257 WeakPolarHBondContact CZ2-O 3.39Å; W254-T257 PolarHBondContact NE1-O 2.85Å; W254-T257 VanDerWaalsContact NE1-O 3.15Å; T257-S259 PolarHBondContact OG1-OG 3.37Å; T257-G268 WeakPolarHBondContact O-CA 3.12Å; T257-G268 WeakPolarHBondContact OG1-CA 3.35Å; T257-V269 PolarHBondContact N-O 3.32Å; T257-V269 PolarHBondContact OG1-N 2.78Å; T257-V269 PolarHBondContact OG1-O 3.27Å; T257-A271 HydrophobicContact CG2-CB 4.09Å; T257-E301 WeakPolarHBondContact CB-OE2 3.47Å; T257-E301 HydrophobicContact CG2-CB 4.31Å; T257-E301 HydrophobicContact CG2-CG 3.99Å; T257-E301 PolarHBondContact OG1-OE2 3.21Å
258	R	98.6	Very high	95.6	Very high	20 Å²	20	55.4 Å²	55.4	8%	0.075	26%	0.259	C	S	.	.			trans	-119.1	15	179.5	-65.6	-61.8	-60.3	169.3	-8.9	114.7	E170 D242 F246 R267	E170-R258 HydrophobicContact CG-CB 4.3Å; D242-R258 HydrophobicContact CB-CB 3.76Å; D242-R258 HydrophobicContact CB-CG 3.69Å; F246-R258 HydrophobicContact CB-CG 4.42Å; F246-R258 VanDerWaalsContact CE2-NH2 3.28Å; R258-R267 VanDerWaalsContact NH2-CD 3.32Å
259	S	98.3	Very high	95.7	Very high	13 Å²	13	53.6 Å²	53.6	9%	0.091	25%	0.252	C	S	.	.			trans	-55.7	142.4	173.1	56.3	0	0	0	0	111.8	T257 R267 G268 E301	T257-S259 PolarHBondContact OG1-OG 3.37Å; S259-R267 CarbonylContact O-C 3.56Å; S259-R267 WeakPolarHBondContact O-CA 3.23Å; S259-G268 PolarHBondContact O-N 3Å; S259-E301 VanDerWaalsContact CB-OE2 3.29Å; S259-E301 WeakPolarHBondContact CB-OE2 3.41Å; S259-E301 PolarHBondContact OG-OE2 3.06Å
260	K	96.9	Very high	95.9	Very high	103 Å²	103	49 Å²	49	45%	0.448	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-90.1	133.6	-178.1	-64.9	175.7	-177.9	174.6	0	110.4	Y169	Y169-K260 HydrophobicContact CE1-CB 4.49Å; Y169-K260 HydrophobicContact CE1-CD 4.47Å; Y169-K260 HydrophobicContact CE1-CG 4.01Å; Y169-K260 WeakPolarHBondContact OH-CB 3.18Å; Y169-K260 PolarHBondContact OH-N 3.33Å
261	N	92.8	Very high	96.1	Very high	36 Å²	36	45.9 Å²	45.9	19%	0.193	21%	0.209	C	C	.	.			trans	-108.5	102.8	162.5	-169.6	-52.9	0	0	0	109.2	K263 F264 H265 C266 P288	N261-K263 VanDerWaalsContact C-N 3.3Å; N261-K263 PolarHBondContact O-N 2.86Å; N261-K263 PolarHBondContact OD1-N 3.09Å; N261-F264 PolarHBondContact OD1-N 3.38Å; N261-H265 PolarHBondContact O-N 3.41Å; N261-C266 WeakPolarHBondContact CB-O 3.24Å; N261-C266 PolarHBondContact N-O 3.16Å; N261-C266 VanDerWaalsContact N-O 3.1Å; N261-P288 HydrophobicContact CB-CB 4.16Å; N261-P288 WeakPolarHBondContact ND2-CB 3.36Å; N261-P288 VanDerWaalsContact ND2-CG 3.29Å; N261-P288 WeakPolarHBondContact ND2-CG 3.27Å
262	H	87.6	Confident	96.2	Very high	145 Å²	145	45.7 Å²	45.7	67%	0.671	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-31	-174.7	-70	-80.7	0	0	0	113.4
263	K	90.9	Very high	96.3	Very high	172 Å²	172	45.9 Å²	45.9	75%	0.748	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-36.8	-175.9	-177.7	175.1	177.4	178	0	112.9	N261	N261-K263 VanDerWaalsContact C-N 3.3Å; N261-K263 PolarHBondContact O-N 2.86Å; N261-K263 PolarHBondContact OD1-N 3.09Å
264	F	90.4	Very high	96.4	Very high	81 Å²	81	45.4 Å²	45.4	36%	0.355	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-0.9	-174.1	-69.7	-89	0	0	0	113.7	N261 C266 H287 P288	N261-F264 PolarHBondContact OD1-N 3.38Å; F264-C266 HydrophobicContact CB-CB 4.37Å; F264-C266 PolarHBondContact O-N 3.01Å; F264-C266 PolarHBondContact O-SG 3.2Å; F264-H287 AromaticContact CD1-CE1 3.91Å; F264-H287 AromaticContact CE1-CE1 3.78Å; F264-P288 HydrophobicContact CB-CB 4.22Å; F264-P288 HydrophobicContact CD2-CB 4.15Å; F264-P288 HydrophobicContact CD2-CG 3.54Å; F264-P288 HydrophobicContact CE2-CG 3.85Å; F264-P288 HydrophobicContact CG-CB 4.29Å; F264-P288 HydrophobicContact CG-CG 4.06Å
265	H	92.3	Very high	96.4	Very high	172 Å²	172	43.4 Å²	43.4	80%	0.796	20%	0.199	S	C	*	.	S	Bend	trans	53.6	15.8	-171.9	-56.9	-74.4	0	0	0	114.7	N261	N261-H265 PolarHBondContact O-N 3.41Å
266	C	94.7	Very high	96.4	Very high	33 Å²	33	49.2 Å²	49.2	22%	0.223	23%	0.225	C	C	.	.			trans	-96.6	160.4	175.7	-71.3	0	0	0	0	110.6	N261 F264 C289	N261-C266 WeakPolarHBondContact CB-O 3.24Å; N261-C266 PolarHBondContact N-O 3.16Å; N261-C266 VanDerWaalsContact N-O 3.1Å; F264-C266 HydrophobicContact CB-CB 4.37Å; F264-C266 PolarHBondContact O-N 3.01Å; F264-C266 PolarHBondContact O-SG 3.2Å; C266-C289 HydrophobicContact CB-CB 3.95Å; C266-C289 WeakPolarHBondContact CB-SG 3.35Å; C266-C289 VanDerWaalsContact SG-CA 3.52Å; C266-C289 WeakPolarHBondContact SG-CB 3.48Å; C266-C289 CovalentContact SG-SG 2.04Å; C266-C289 PolarHBondContact SG-SG 3.16Å
267	R	97.3	Very high	96.4	Very high	90 Å²	90	49 Å²	49	34%	0.34	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-130.7	150.3	-175.6	-67.9	-177.8	177.5	-120.8	10.4	111.5	W254 K256 R258 S259	W254-R267 HydrophobicContact CH2-CB 4.02Å; W254-R267 WeakPolarHBondContact CH2-O 3.23Å; W254-R267 HydrophobicContact CZ2-CB 4.21Å; W254-R267 WeakPolarHBondContact CZ2-O 3.19Å; K256-R267 WeakPolarHBondContact CE-O 3.48Å; K256-R267 PolarHBondContact NZ-O 3.46Å; R258-R267 VanDerWaalsContact NH2-CD 3.32Å; S259-R267 CarbonylContact O-C 3.56Å; S259-R267 WeakPolarHBondContact O-CA 3.23Å
268	G	98.3	Very high	96.3	Very high	3 Å²	3	54.4 Å²	54.4	3%	0.031	25%	0.247	C	C	.	.			trans	79.5	151.8	170.4	0	0	0	0	0	114.2	K256 T257 S259	K256-G268 WeakPolarHBondContact CD-O 3.29Å; K256-G268 WeakPolarHBondContact CE-O 3.12Å; K256-G268 PolarHBondContact NZ-O 2.67Å; T257-G268 WeakPolarHBondContact O-CA 3.12Å; T257-G268 WeakPolarHBondContact OG1-CA 3.35Å; S259-G268 PolarHBondContact O-N 3Å
269	V	98.7	Very high	96.2	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.012	26%	0.257	C	S	.	.			trans	-116.4	145.5	172.4	172.1	0	0	0	0	107.8	K256 T257 A271 N274 Y293 E301	K256-V269 WeakPolarHBondContact CA-O 3.4Å; K256-V269 WeakPolarHBondContact CB-O 3.46Å; T257-V269 PolarHBondContact N-O 3.32Å; T257-V269 PolarHBondContact OG1-N 2.78Å; T257-V269 PolarHBondContact OG1-O 3.27Å; V269-A271 PolarHBondContact O-N 3.44Å; V269-A271 VanDerWaalsContact O-N 3.11Å; V269-N274 HydrophobicContact CG1-CB 3.88Å; V269-Y293 HydrophobicContact CB-CD1 4.41Å; V269-Y293 WeakPolarHBondContact CG1-O 3.49Å; V269-Y293 HydrophobicContact CG2-CD1 3.73Å; V269-Y293 HydrophobicContact CG2-CE1 3.72Å; V269-E301 HydrophobicContact CB-CG 3.61Å; V269-E301 HydrophobicContact CG1-CG 3.72Å; V269-E301 HydrophobicContact CG2-CG 4.13Å; V269-E301 VanDerWaalsContact CG2-OE1 3.23Å; V269-E301 WeakPolarHBondContact CG2-OE1 3.42Å
270	D	98.8	Very high	96.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	26%	0.264	C	S	.	.			trans	-68.8	107.3	166.7	-171.7	-28.7	0	0	0	108.2	H197 R255 N272 R273 N274 D291 Y293	H197-D270 IonicContact CD2-OD1 2.69Å; H197-D270 IonicContact NE2-OD1 3.31Å; H197-D270 PolarHBondContact NE2-OD1 3.35Å; R255-D270 IonicContact CZ-OD2 2.89Å; R255-D270 IonicContact NE-OD2 3.91Å; R255-D270 PolarHBondContact NE-OD2 2.61Å; R255-D270 IonicContact NH2-OD1 3.58Å; R255-D270 IonicContact NH2-OD2 3.06Å; R255-D270 PolarHBondContact NH2-OD2 3.42Å; D270-N272 PolarHBondContact O-N 3.04Å; D270-N272 VanDerWaalsContact O-N 3.13Å; D270-N272 WeakPolarHBondContact OD1-CA 3.4Å; D270-N272 PolarHBondContact OD1-N 3.33Å; D270-R273 HydrophobicContact CB-CB 4.03Å; D270-R273 HydrophobicContact CB-CG 3.78Å; D270-R273 PolarHBondContact O-N 2.77Å; D270-N274 PolarHBondContact O-N 2.69Å; D270-D291 WeakPolarHBondContact CB-O 3.35Å; D270-Y293 PolarHBondContact N-O 3.06Å
271	A	98.7	Very high	96	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.008	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.6	-178.5	0	0	0	0	0	112.5	V196 F239 T257 V269 R273 W275 V304	V196-A271 HydrophobicContact CG1-CB 3.73Å; F239-A271 HydrophobicContact CD1-CB 4.5Å; F239-A271 HydrophobicContact CE1-CB 4.01Å; T257-A271 HydrophobicContact CG2-CB 4.09Å; V269-A271 PolarHBondContact O-N 3.44Å; V269-A271 VanDerWaalsContact O-N 3.11Å; A271-R273 VanDerWaalsContact C-N 3.33Å; A271-W275 PolarHBondContact O-NE1 2.69Å; A271-V304 HydrophobicContact CB-CG2 4.06Å
272	N	98.7	Very high	96.1	Very high	18 Å²	18	61.5 Å²	61.5	10%	0.096	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	18.6	175.6	-155.4	20.8	0	0	0	113.3	V196 D270 G381 S382 S383	V196-N272 HydrophobicContact CG1-CB 4.11Å; D270-N272 PolarHBondContact O-N 3.04Å; D270-N272 VanDerWaalsContact O-N 3.13Å; D270-N272 WeakPolarHBondContact OD1-CA 3.4Å; D270-N272 PolarHBondContact OD1-N 3.33Å; N272-G381 CarbonylContact C-O 3.57Å; N272-S382 WeakPolarHBondContact OD1-CA 3.37Å; N272-S383 PolarHBondContact OD1-N 2.78Å; N272-S383 PolarHBondContact OD1-OG 3.32Å
273	R	98.7	Very high	96.3	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.015	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-2.5	165.2	-61.1	-61.1	-178.3	-91.9	5.8	112.9	N71 D270 A271 G283 A284 C294 S379 S380 G381	N71-R273 PolarHBondContact ND2-NH2 3.37Å; D270-R273 HydrophobicContact CB-CB 4.03Å; D270-R273 HydrophobicContact CB-CG 3.78Å; D270-R273 PolarHBondContact O-N 2.77Å; A271-R273 VanDerWaalsContact C-N 3.33Å; R273-G283 PolarHBondContact NE-O 3.26Å; R273-A284 HydrophobicContact CB-CB 4.22Å; R273-A284 HydrophobicContact CG-CB 4.16Å; R273-C294 HydrophobicContact CB-CB 4.24Å; R273-S379 VanDerWaalsContact CZ-CB 3.41Å; R273-S380 WeakPolarHBondContact CD-O 3.48Å; R273-G381 CarbonylContact C-O 3.59Å; R273-G381 VanDerWaalsContact C-O 3.25Å; R273-G381 WeakPolarHBondContact CA-O 3.33Å
274	N	98.8	Very high	96.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.228	C	C	.	.			trans	-96.8	-1.7	-170.1	-166.8	-115.9	0	0	0	113.7	V269 D270 C294 F297 P298 E299 S300 E301 V304 G381	V269-N274 HydrophobicContact CG1-CB 3.88Å; D270-N274 PolarHBondContact O-N 2.69Å; N274-C294 PolarHBondContact ND2-O 2.69Å; N274-F297 PolarHBondContact ND2-O 2.98Å; N274-P298 CarbonylContact O-C 3.53Å; N274-P298 WeakPolarHBondContact O-CA 3.4Å; N274-E299 PolarHBondContact O-N 3.45Å; N274-E299 WeakPolarHBondContact OD1-CA 3.31Å; N274-E299 PolarHBondContact OD1-N 3.02Å; N274-S300 PolarHBondContact ND2-OG 3.14Å; N274-S300 PolarHBondContact OD1-N 3.46Å; N274-E301 HydrophobicContact CB-CG 4.43Å; N274-E301 PolarHBondContact OD1-N 3.25Å; N274-E301 VanDerWaalsContact OD1-N 3.08Å; N274-V304 HydrophobicContact CB-CG2 4.25Å; N274-G381 PolarHBondContact N-O 3.43Å
275	W	98.8	Very high	96.8	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	22%	0.217	C	C	.	.	S	Bend	trans	-76.9	150.1	-175.7	-62	77.3	0	0	0	112.3	F239 A271 V277 V304 V307 A308 G381 W386	F239-W275 HydrophobicContact CE2-CH2 4.33Å; F239-W275 AromaticContact CE2-CZ2 3.89Å; F239-W275 HydrophobicContact CE2-CZ2 3.89Å; F239-W275 AromaticContact CZ-CZ2 3.83Å; F239-W275 HydrophobicContact CZ-CZ2 3.83Å; A271-W275 PolarHBondContact O-NE1 2.69Å; W275-V277 HydrophobicContact CB-CG1 4.31Å; W275-V277 PolarHBondContact O-N 3.25Å; W275-V304 HydrophobicContact CD2-CG1 3.79Å; W275-V304 HydrophobicContact CE3-CG1 4.13Å; W275-V304 HydrophobicContact CG-CG1 4.13Å; W275-V304 HydrophobicContact CZ2-CG1 4.27Å; W275-V307 HydrophobicContact CH2-CB 4.13Å; W275-V307 HydrophobicContact CH2-CG1 3.82Å; W275-A308 HydrophobicContact CE3-CB 4.31Å; W275-A308 HydrophobicContact CZ3-CB 3.91Å; W275-G381 WeakPolarHBondContact CB-O 3.31Å; W275-G381 VanDerWaalsContact CD1-O 3.27Å; W275-G381 PolarHBondContact N-O 3.26Å; W275-G381 VanDerWaalsContact N-O 3.07Å; W275-W386 HydrophobicContact CB-CB 3.79Å; W275-W386 HydrophobicContact CB-CG 4.06Å; W275-W386 HydrophobicContact CD2-CB 4.37Å; W275-W386 HydrophobicContact CD2-CG 4.39Å; W275-W386 HydrophobicContact CE3-CB 4.04Å; W275-W386 AromaticContact CE3-CD2 3.48Å; W275-W386 HydrophobicContact CE3-CD2 3.48Å; W275-W386 VanDerWaalsContact CE3-CD2 3.48Å; W275-W386 AromaticContact CE3-CE3 3.64Å; W275-W386 HydrophobicContact CE3-CE3 3.64Å; W275-W386 AromaticContact CE3-CG 3.66Å; W275-W386 HydrophobicContact CE3-CG 3.66Å; W275-W386 HydrophobicContact CE3-CZ3 4.36Å; W275-W386 HydrophobicContact CG-CB 4.31Å; W275-W386 AromaticContact CZ3-CD2 3.86Å; W275-W386 HydrophobicContact CZ3-CD2 3.86Å; W275-W386 AromaticContact CZ3-CE3 3.55Å; W275-W386 HydrophobicContact CZ3-CE3 3.55Å; W275-W386 HydrophobicContact CZ3-CG 4.48Å; W275-W386 HydrophobicContact CZ3-CH2 4.39Å; W275-W386 AromaticContact CZ3-CZ3 3.87Å; W275-W386 HydrophobicContact CZ3-CZ3 3.87Å
276	K	98.2	Very high	97	Very high	135 Å²	135	41.1 Å²	41.1	59%	0.587	21%	0.211	S	C	*	.	S	Bend	trans	-74.4	59.5	-179	-163.9	178.8	178.9	177	0	113.2	P298 E299	K276-P298 HydrophobicContact CB-CB 3.9Å; K276-P298 HydrophobicContact CG-CB 4Å; K276-P298 HydrophobicContact CG-CG 4.16Å; K276-E299 HydrophobicContact CB-CG 4.18Å; K276-E299 VanDerWaalsContact CB-OE1 3.31Å; K276-E299 WeakPolarHBondContact CB-OE1 3.48Å
277	V	97.7	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-146	112.3	176.7	61.6	0	0	0	0	109	W275 W279 Y337 G381 S382 D385 W386	W275-V277 HydrophobicContact CB-CG1 4.31Å; W275-V277 PolarHBondContact O-N 3.25Å; V277-W279 PolarHBondContact O-N 3.46Å; V277-W279 VanDerWaalsContact O-N 3.12Å; V277-Y337 HydrophobicContact CG2-CD1 4Å; V277-Y337 HydrophobicContact CG2-CE1 3.66Å; V277-G381 VanDerWaalsContact O-CA 3.3Å; V277-G381 WeakPolarHBondContact O-CA 3.43Å; V277-G381 PolarHBondContact O-N 3.47Å; V277-G381 VanDerWaalsContact O-N 3.1Å; V277-S382 WeakPolarHBondContact CG1-O 3.46Å; V277-D385 HydrophobicContact CG1-CB 3.86Å; V277-D385 HydrophobicContact CG2-CB 4Å; V277-W386 HydrophobicContact CB-CB 4.18Å; V277-W386 HydrophobicContact CG1-CB 3.71Å
278	K	96.8	Very high	97.1	Very high	113 Å²	113	39.2 Å²	39.2	49%	0.491	20%	0.203	S	C	.	.	S	Bend	trans	41.5	54.2	-176.2	-70.7	-69.4	-167.1	167.9	0	111.1	Y337 S380 G381	K278-Y337 HydrophobicContact CB-CD1 4.31Å; K278-Y337 HydrophobicContact CB-CD2 4Å; K278-Y337 HydrophobicContact CB-CG 3.89Å; K278-Y337 HydrophobicContact CD-CD2 4.5Å; K278-Y337 HydrophobicContact CG-CD1 4.28Å; K278-Y337 HydrophobicContact CG-CD2 3.52Å; K278-Y337 HydrophobicContact CG-CE1 4.38Å; K278-Y337 HydrophobicContact CG-CE2 3.6Å; K278-Y337 HydrophobicContact CG-CG 3.88Å; K278-S380 WeakPolarHBondContact O-CB 3.48Å; K278-G381 PolarHBondContact O-N 3.17Å
279	W	97.7	Very high	96.9	Very high	78 Å²	78	41.4 Å²	41.4	30%	0.295	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	138	-164.9	169.2	80.6	0	0	0	111.8	V277 D281 C294 G295 F297 P298	V277-W279 PolarHBondContact O-N 3.46Å; V277-W279 VanDerWaalsContact O-N 3.12Å; W279-D281 PolarHBondContact O-N 3.1Å; W279-C294 HydrophobicContact CZ2-CB 4.42Å; W279-C294 VanDerWaalsContact CZ2-SG 3.57Å; W279-C294 PolarHBondContact NE1-O 2.88Å; W279-G295 VanDerWaalsContact CZ2-O 3.29Å; W279-G295 WeakPolarHBondContact CZ2-O 3.12Å; W279-F297 VanDerWaalsContact CZ2-C 3.49Å; W279-P298 HydrophobicContact CB-CB 4.02Å; W279-P298 HydrophobicContact CD2-CB 4.19Å; W279-P298 HydrophobicContact CD2-CG 4.32Å; W279-P298 HydrophobicContact CG-CB 3.73Å; W279-P298 HydrophobicContact CG-CG 4.28Å
280	C	96.9	Very high	96.7	Very high	34 Å²	34	44.5 Å²	44.5	23%	0.23	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	29	176.5	-145.1	0	0	0	0	115.7	C294 S380	C280-C294 HydrophobicContact CB-CB 3.56Å; C280-C294 WeakPolarHBondContact CB-SG 3.11Å; C280-C294 WeakPolarHBondContact SG-CB 3.23Å; C280-C294 CovalentContact SG-SG 2.02Å; C280-C294 PolarHBondContact SG-SG 2.57Å; C280-S380 PolarHBondContact N-OG 3.21Å
281	D	94.3	Very high	96.5	Very high	97 Å²	97	47.2 Å²	47.2	52%	0.519	25%	0.248	S	C	.	.			trans	-87.8	-160.3	169	-153.9	-15.9	0	0	0	109.8	W279 A284 S380	W279-D281 PolarHBondContact O-N 3.1Å; D281-A284 PolarHBondContact O-N 2.49Å; D281-S380 VanDerWaalsContact C-OG 3.32Å; D281-S380 PolarHBondContact N-OG 2.95Å; D281-S380 PolarHBondContact O-OG 3.44Å
282	E	93.6	Very high	96.4	Very high	113 Å²	113	47.5 Å²	47.5	53%	0.528	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	136.8	179.2	-168.4	178.8	176.1	0	0	114.9	A284 V378 S379 S380	E282-A284 VanDerWaalsContact C-N 3.31Å; E282-A284 PolarHBondContact O-N 2.81Å; E282-V378 HydrophobicContact CB-CG1 3.98Å; E282-V378 HydrophobicContact CG-CB 4.47Å; E282-V378 HydrophobicContact CG-CG1 3.86Å; E282-S379 CarbonylContact O-C 3.57Å; E282-S380 VanDerWaalsContact O-CB 3.23Å; E282-S380 WeakPolarHBondContact O-CB 3.48Å; E282-S380 PolarHBondContact O-N 3.33Å; E282-S380 PolarHBondContact O-OG 3.34Å
283	G	91.8	Very high	96.4	Very high	6 Å²	6	47.4 Å²	47.4	6%	0.062	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	11.7	179.9	0	0	0	0	0	115	R273	R273-G283 PolarHBondContact NE-O 3.26Å
284	A	95.9	Very high	96.4	Very high	23 Å²	23	47.2 Å²	47.2	19%	0.19	25%	0.247	C	C	.	.			trans	-126.1	164.5	166.6	0	0	0	0	0	110.5	R273 D281 E282 C294 S380	R273-A284 HydrophobicContact CB-CB 4.22Å; R273-A284 HydrophobicContact CG-CB 4.16Å; D281-A284 PolarHBondContact O-N 2.49Å; E282-A284 VanDerWaalsContact C-N 3.31Å; E282-A284 PolarHBondContact O-N 2.81Å; A284-C294 HydrophobicContact CB-CB 4.07Å; A284-S380 WeakPolarHBondContact CB-OG 3.47Å
285	S	96.6	Very high	96.4	Very high	18 Å²	18	47.4 Å²	47.4	13%	0.126	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-117.8	145.1	173.4	179.5	0	0	0	0	111.6	H287 D290 T292 Y293 C294	S285-H287 PolarHBondContact OG-N 3.06Å; S285-D290 WeakPolarHBondContact CB-OD2 3.22Å; S285-D290 PolarHBondContact OG-OD2 3.09Å; S285-T292 PolarHBondContact N-O 3.19Å; S285-Y293 CarbonylContact O-C 3.52Å; S285-Y293 VanDerWaalsContact O-CA 3.28Å; S285-Y293 WeakPolarHBondContact O-CA 3.31Å; S285-Y293 WeakPolarHBondContact O-CD2 3.45Å; S285-C294 PolarHBondContact O-N 2.74Å; S285-C294 PolarHBondContact O-SG 2.92Å
286	S	96.4	Very high	96.3	Very high	95 Å²	95	51 Å²	51	66%	0.664	27%	0.273	S	S	*	.	S	Bend	trans	-88.9	-7.1	168.7	61	0	0	0	0	112.8	P288 Y293	S286-P288 WeakPolarHBondContact O-CD 3.28Å; S286-Y293 VanDerWaalsContact O-CE2 3.27Å; S286-Y293 WeakPolarHBondContact O-CE2 3.34Å
287	H	96.3	Very high	96.3	Very high	77 Å²	77	50.3 Å²	50.3	36%	0.356	27%	0.27	S	S	.	.	S	Bend	trans	-85.3	121.1	-178.8	-168.8	70.1	0	0	0	111.3	F264 S285 C289 D290 Y293	F264-H287 AromaticContact CD1-CE1 3.91Å; F264-H287 AromaticContact CE1-CE1 3.78Å; S285-H287 PolarHBondContact OG-N 3.06Å; H287-C289 PolarHBondContact O-N 3.15Å; H287-D290 IonicContact CD2-OD1 3.54Å; H287-D290 PolarHBondContact O-N 3.1Å; H287-D290 VanDerWaalsContact O-N 3.07Å; H287-Y293 WeakPolarHBondContact O-CB 3.22Å
288	P	96.9	Very high	96.3	Very high	6 Å²	6	52.2 Å²	52.2	4%	0.039	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.9	-171.1	-30	39.8	0	0	0	116.8	K256 N261 F264 S286 Y293	K256-P288 PolarHBondContact NZ-O 3.26Å; N261-P288 HydrophobicContact CB-CB 4.16Å; N261-P288 WeakPolarHBondContact ND2-CB 3.36Å; N261-P288 VanDerWaalsContact ND2-CG 3.29Å; N261-P288 WeakPolarHBondContact ND2-CG 3.27Å; F264-P288 HydrophobicContact CB-CB 4.22Å; F264-P288 HydrophobicContact CD2-CB 4.15Å; F264-P288 HydrophobicContact CD2-CG 3.54Å; F264-P288 HydrophobicContact CE2-CG 3.85Å; F264-P288 HydrophobicContact CG-CB 4.29Å; F264-P288 HydrophobicContact CG-CG 4.06Å; S286-P288 WeakPolarHBondContact O-CD 3.28Å; P288-Y293 HydrophobicContact CB-CD1 4.24Å; P288-Y293 HydrophobicContact CB-CE1 4Å; P288-Y293 HydrophobicContact CB-CE2 4.44Å; P288-Y293 HydrophobicContact CG-CE1 4.24Å; P288-Y293 HydrophobicContact CG-CE2 4.02Å
289	C	94.8	Very high	96.4	Very high	49 Å²	49	47.8 Å²	47.8	33%	0.331	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-12.4	179.8	-57.8	0	0	0	0	113.5	C266 H287	C266-C289 HydrophobicContact CB-CB 3.95Å; C266-C289 WeakPolarHBondContact CB-SG 3.35Å; C266-C289 VanDerWaalsContact SG-CA 3.52Å; C266-C289 WeakPolarHBondContact SG-CB 3.48Å; C266-C289 CovalentContact SG-SG 2.04Å; C266-C289 PolarHBondContact SG-SG 3.16Å; H287-C289 PolarHBondContact O-N 3.15Å
290	D	95	Very high	96.5	Very high	66 Å²	66	45 Å²	45	35%	0.353	26%	0.256	S	S	.	.	S	Bend	trans	-76.7	148	-179.8	-66.6	-3.9	0	0	0	111	K256 S285 H287 T292 Y293	K256-D290 WeakPolarHBondContact CD-O 3.33Å; K256-D290 WeakPolarHBondContact CE-O 3.25Å; K256-D290 PolarHBondContact NZ-O 3.29Å; S285-D290 WeakPolarHBondContact CB-OD2 3.22Å; S285-D290 PolarHBondContact OG-OD2 3.09Å; H287-D290 IonicContact CD2-OD1 3.54Å; H287-D290 PolarHBondContact O-N 3.1Å; H287-D290 VanDerWaalsContact O-N 3.07Å; D290-T292 PolarHBondContact O-N 2.7Å; D290-Y293 WeakPolarHBondContact O-CB 3.44Å; D290-Y293 PolarHBondContact O-N 2.98Å
291	D	94.6	Very high	96.6	Very high	57 Å²	57	43.7 Å²	43.7	31%	0.305	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.5	178.9	-72.9	-43.6	0	0	0	113.3	D270	D270-D291 WeakPolarHBondContact CB-O 3.35Å
292	T	96.9	Very high	96.8	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.043	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	18.6	176.4	60.6	0	0	0	0	112.8	N71 S285 D290 C294	N71-T292 HydrophobicContact CB-CG2 4.13Å; N71-T292 WeakPolarHBondContact ND2-CG2 3.4Å; N71-T292 WeakPolarHBondContact O-CG2 3.25Å; S285-T292 PolarHBondContact N-O 3.19Å; D290-T292 PolarHBondContact O-N 2.7Å; T292-C294 PolarHBondContact O-N 2.84Å
293	Y	98.1	Very high	97	Very high	16 Å²	16	35.5 Å²	35.5	6%	0.063	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-55.1	122.4	178.7	176.7	-132.9	0	0	0	111.4	V269 D270 S285 S286 H287 P288 D290 G295	V269-Y293 HydrophobicContact CB-CD1 4.41Å; V269-Y293 WeakPolarHBondContact CG1-O 3.49Å; V269-Y293 HydrophobicContact CG2-CD1 3.73Å; V269-Y293 HydrophobicContact CG2-CE1 3.72Å; D270-Y293 PolarHBondContact N-O 3.06Å; S285-Y293 CarbonylContact O-C 3.52Å; S285-Y293 VanDerWaalsContact O-CA 3.28Å; S285-Y293 WeakPolarHBondContact O-CA 3.31Å; S285-Y293 WeakPolarHBondContact O-CD2 3.45Å; S286-Y293 VanDerWaalsContact O-CE2 3.27Å; S286-Y293 WeakPolarHBondContact O-CE2 3.34Å; H287-Y293 WeakPolarHBondContact O-CB 3.22Å; P288-Y293 HydrophobicContact CB-CD1 4.24Å; P288-Y293 HydrophobicContact CB-CE1 4Å; P288-Y293 HydrophobicContact CB-CE2 4.44Å; P288-Y293 HydrophobicContact CG-CE1 4.24Å; P288-Y293 HydrophobicContact CG-CE2 4.02Å; D290-Y293 WeakPolarHBondContact O-CB 3.44Å; D290-Y293 PolarHBondContact O-N 2.98Å; Y293-G295 VanDerWaalsContact C-N 3.3Å; Y293-G295 WeakPolarHBondContact CE2-O 3.28Å; Y293-G295 VanDerWaalsContact CZ-CA 3.48Å; Y293-G295 PolarHBondContact O-N 3.3Å; Y293-G295 PolarHBondContact OH-O 3Å
294	C	98.3	Very high	97.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	21%	0.205	C	C	.	.			trans	-79.5	-8	-173.5	68.3	0	0	0	0	114.4	R273 N274 W279 C280 A284 S285 T292	R273-C294 HydrophobicContact CB-CB 4.24Å; N274-C294 PolarHBondContact ND2-O 2.69Å; W279-C294 HydrophobicContact CZ2-CB 4.42Å; W279-C294 VanDerWaalsContact CZ2-SG 3.57Å; W279-C294 PolarHBondContact NE1-O 2.88Å; C280-C294 HydrophobicContact CB-CB 3.56Å; C280-C294 WeakPolarHBondContact CB-SG 3.11Å; C280-C294 WeakPolarHBondContact SG-CB 3.23Å; C280-C294 CovalentContact SG-SG 2.02Å; C280-C294 PolarHBondContact SG-SG 2.57Å; A284-C294 HydrophobicContact CB-CB 4.07Å; S285-C294 PolarHBondContact O-N 2.74Å; S285-C294 PolarHBondContact O-SG 2.92Å; T292-C294 PolarHBondContact O-N 2.84Å
295	G	98.2	Very high	97.5	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.031	22%	0.223	C	C	.	.			trans	94.4	176.7	-174.7	0	0	0	0	0	113.2	W279 Y293	W279-G295 VanDerWaalsContact CZ2-O 3.29Å; W279-G295 WeakPolarHBondContact CZ2-O 3.12Å; Y293-G295 VanDerWaalsContact C-N 3.3Å; Y293-G295 WeakPolarHBondContact CE2-O 3.28Å; Y293-G295 VanDerWaalsContact CZ-CA 3.48Å; Y293-G295 PolarHBondContact O-N 3.3Å; Y293-G295 PolarHBondContact OH-O 3Å
296	P	97.4	Very high	97.6	Very high	78 Å²	78	40 Å²	40	51%	0.506	22%	0.222	S	C	.	.	S	Bend	trans	-75.7	-23.3	176.9	27.9	-36.3	0	0	0	113.7	S300	P296-S300 WeakPolarHBondContact CD-OG 3.31Å
297	F	98.3	Very high	97.7	Very high	120 Å²	120	35.5 Å²	35.5	53%	0.526	19%	0.19	S	C	.	.	S	Bend	trans	-163	162.7	177.7	50.1	-96	0	0	0	109.3	N274 W279 S300	N274-F297 PolarHBondContact ND2-O 2.98Å; W279-F297 VanDerWaalsContact CZ2-C 3.49Å; F297-S300 VanDerWaalsContact CE2-CA 3.42Å; F297-S300 VanDerWaalsContact O-CB 3.27Å; F297-S300 WeakPolarHBondContact O-CB 3.35Å; F297-S300 PolarHBondContact O-N 3Å; F297-S300 PolarHBondContact O-OG 3.03Å
298	P	98.5	Very high	97.9	Very high	40 Å²	40	31.8 Å²	31.8	26%	0.26	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	138.6	178.4	24.9	-34.4	0	0	0	111.8	N274 K276 W279 S300	N274-P298 CarbonylContact O-C 3.53Å; N274-P298 WeakPolarHBondContact O-CA 3.4Å; K276-P298 HydrophobicContact CB-CB 3.9Å; K276-P298 HydrophobicContact CG-CB 4Å; K276-P298 HydrophobicContact CG-CG 4.16Å; W279-P298 HydrophobicContact CB-CB 4.02Å; W279-P298 HydrophobicContact CD2-CB 4.19Å; W279-P298 HydrophobicContact CD2-CG 4.32Å; W279-P298 HydrophobicContact CG-CB 3.73Å; W279-P298 HydrophobicContact CG-CG 4.28Å; P298-S300 VanDerWaalsContact C-N 3.25Å; P298-S300 PolarHBondContact O-N 3.11Å
299	E	98.6	Very high	97.9	Very high	20 Å²	20	38.9 Å²	38.9	9%	0.093	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	34.6	-175	-53.5	177.9	-156	0	0	112.4	N274 K276 E301 V304 A308 R312 W386	N274-E299 PolarHBondContact O-N 3.45Å; N274-E299 WeakPolarHBondContact OD1-CA 3.31Å; N274-E299 PolarHBondContact OD1-N 3.02Å; K276-E299 HydrophobicContact CB-CG 4.18Å; K276-E299 VanDerWaalsContact CB-OE1 3.31Å; K276-E299 WeakPolarHBondContact CB-OE1 3.48Å; E299-E301 VanDerWaalsContact C-N 3.33Å; E299-V304 HydrophobicContact CB-CG1 4.48Å; E299-V304 HydrophobicContact CG-CG1 4.23Å; E299-A308 HydrophobicContact CG-CB 4.43Å; E299-A308 WeakPolarHBondContact OE2-CB 3.4Å; E299-R312 VanDerWaalsContact CD-NH1 3.26Å; E299-R312 IonicContact OE1-CZ 3.06Å; E299-R312 IonicContact OE1-NH1 3Å; E299-R312 PolarHBondContact OE1-NH1 3.42Å; E299-R312 IonicContact OE2-CZ 3.93Å; E299-R312 VanDerWaalsContact OE2-CZ 3.31Å; E299-R312 IonicContact OE2-NH1 3.79Å; E299-R312 PolarHBondContact OE2-NH1 3.3Å; E299-R312 IonicContact OE2-NH2 3.32Å; E299-R312 PolarHBondContact OE2-NH2 2.82Å; E299-W386 PolarHBondContact OE1-NE1 2.81Å
300	S	98.7	Very high	98.1	Very high	20 Å²	20	37.5 Å²	37.5	14%	0.14	19%	0.192	C	C	.	.			trans	-67	-34.4	173.3	64.1	0	0	0	0	112.9	N274 P296 F297 P298	N274-S300 PolarHBondContact ND2-OG 3.14Å; N274-S300 PolarHBondContact OD1-N 3.46Å; P296-S300 WeakPolarHBondContact CD-OG 3.31Å; F297-S300 VanDerWaalsContact CE2-CA 3.42Å; F297-S300 VanDerWaalsContact O-CB 3.27Å; F297-S300 WeakPolarHBondContact O-CB 3.35Å; F297-S300 PolarHBondContact O-N 3Å; F297-S300 PolarHBondContact O-OG 3.03Å; P298-S300 VanDerWaalsContact C-N 3.25Å; P298-S300 PolarHBondContact O-N 3.11Å
301	E	98.9	Very high	98.3	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.028	18%	0.176	C	C	.	.	S	Bend	trans	-76.5	128.6	-176.2	-58.4	-47.9	93.9	0	0	109.8	T257 S259 V269 N274 E299 E303 V304 K305	T257-E301 WeakPolarHBondContact CB-OE2 3.47Å; T257-E301 HydrophobicContact CG2-CB 4.31Å; T257-E301 HydrophobicContact CG2-CG 3.99Å; T257-E301 PolarHBondContact OG1-OE2 3.21Å; S259-E301 VanDerWaalsContact CB-OE2 3.29Å; S259-E301 WeakPolarHBondContact CB-OE2 3.41Å; S259-E301 PolarHBondContact OG-OE2 3.06Å; V269-E301 HydrophobicContact CB-CG 3.61Å; V269-E301 HydrophobicContact CG1-CG 3.72Å; V269-E301 HydrophobicContact CG2-CG 4.13Å; V269-E301 VanDerWaalsContact CG2-OE1 3.23Å; V269-E301 WeakPolarHBondContact CG2-OE1 3.42Å; N274-E301 HydrophobicContact CB-CG 4.43Å; N274-E301 PolarHBondContact OD1-N 3.25Å; N274-E301 VanDerWaalsContact OD1-N 3.08Å; E299-E301 VanDerWaalsContact C-N 3.33Å; E301-E303 PolarHBondContact O-N 3.44Å; E301-V304 HydrophobicContact CB-CB 4.16Å; E301-V304 HydrophobicContact CB-CG2 3.93Å; E301-V304 PolarHBondContact O-N 2.71Å; E301-V304 VanDerWaalsContact O-N 3.09Å; E301-K305 WeakPolarHBondContact O-CB 3.18Å; E301-K305 PolarHBondContact O-N 3.25Å
302	P	98.8	Very high	98.4	Very high	38 Å²	38	36.1 Å²	36.1	25%	0.247	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-30.3	-178.1	24.1	-33.2	0	0	0	112.4	A306	P302-A306 VanDerWaalsContact O-CB 3.25Å; P302-A306 WeakPolarHBondContact O-CB 3.22Å; P302-A306 PolarHBondContact O-N 3.37Å
303	E	98.9	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.8	-52.3	173	-56.2	81	-178	0	0	111.2	S168 Y169 L174 F239 E301 A306 V307	S168-E303 WeakPolarHBondContact CA-OE1 3.14Å; S168-E303 VanDerWaalsContact CB-OE1 3.22Å; S168-E303 WeakPolarHBondContact CB-OE1 3.49Å; Y169-E303 PolarHBondContact N-OE1 3.36Å; L174-E303 HydrophobicContact CD1-CB 4.42Å; L174-E303 HydrophobicContact CD1-CG 4.42Å; L174-E303 HydrophobicContact CD2-CG 4.05Å; F239-E303 HydrophobicContact CD1-CB 4.2Å; F239-E303 HydrophobicContact CE1-CB 3.79Å; F239-E303 HydrophobicContact CZ-CB 4.49Å; E301-E303 PolarHBondContact O-N 3.44Å; E303-A306 PolarHBondContact O-N 3.37Å; E303-V307 PolarHBondContact O-N 3.13Å
304	V	98.9	Very high	98.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.4	-45.8	178.5	177.1	0	0	0	0	110.9	F239 A271 N274 W275 E299 E301 A306 V307 A308	F239-V304 HydrophobicContact CE1-CG2 3.9Å; F239-V304 HydrophobicContact CZ-CB 4.4Å; F239-V304 HydrophobicContact CZ-CG2 3.85Å; A271-V304 HydrophobicContact CB-CG2 4.06Å; N274-V304 HydrophobicContact CB-CG2 4.25Å; W275-V304 HydrophobicContact CD2-CG1 3.79Å; W275-V304 HydrophobicContact CE3-CG1 4.13Å; W275-V304 HydrophobicContact CG-CG1 4.13Å; W275-V304 HydrophobicContact CZ2-CG1 4.27Å; E299-V304 HydrophobicContact CB-CG1 4.48Å; E299-V304 HydrophobicContact CG-CG1 4.23Å; E301-V304 HydrophobicContact CB-CB 4.16Å; E301-V304 HydrophobicContact CB-CG2 3.93Å; E301-V304 PolarHBondContact O-N 2.71Å; E301-V304 VanDerWaalsContact O-N 3.09Å; V304-A306 VanDerWaalsContact C-N 3.33Å; V304-A306 PolarHBondContact O-N 3.4Å; V304-V307 PolarHBondContact O-N 3.05Å; V304-A308 WeakPolarHBondContact O-CB 3.44Å; V304-A308 PolarHBondContact O-N 3.25Å
305	K	98.9	Very high	98	Very high	128 Å²	128	51.7 Å²	51.7	56%	0.557	25%	0.245	S	C	*	.	H	α-helix	trans	-60.3	-40.9	178.7	-172.9	175.4	-177.8	175.7	0	112.4	E301 K309	E301-K305 WeakPolarHBondContact O-CB 3.18Å; E301-K305 PolarHBondContact O-N 3.25Å; K305-K309 VanDerWaalsContact O-CB 3.26Å; K305-K309 WeakPolarHBondContact O-CB 3.4Å; K305-K309 PolarHBondContact O-N 3.21Å
306	A	98.8	Very high	97.8	Very high	13 Å²	13	59.5 Å²	59.5	11%	0.107	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-48.4	179.1	0	0	0	0	0	111.7	L165 L174 P302 E303 V304 K309 F310	L165-A306 HydrophobicContact CB-CB 4.21Å; L174-A306 HydrophobicContact CD1-CB 3.73Å; P302-A306 VanDerWaalsContact O-CB 3.25Å; P302-A306 WeakPolarHBondContact O-CB 3.22Å; P302-A306 PolarHBondContact O-N 3.37Å; E303-A306 PolarHBondContact O-N 3.37Å; V304-A306 VanDerWaalsContact C-N 3.33Å; V304-A306 PolarHBondContact O-N 3.4Å; A306-K309 PolarHBondContact O-N 3.26Å; A306-F310 PolarHBondContact O-N 2.96Å
307	V	98.8	Very high	97.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.9	-44.2	179	178.6	0	0	0	0	111.2	L165 W191 M236 F239 W275 E303 V304 K309 F310 L311	L165-V307 HydrophobicContact CD1-CG2 4.24Å; W191-V307 HydrophobicContact CH2-CG1 4Å; W191-V307 HydrophobicContact CH2-CG2 4.2Å; W191-V307 HydrophobicContact CZ2-CB 4.38Å; W191-V307 HydrophobicContact CZ2-CG1 3.47Å; W191-V307 VanDerWaalsContact CZ2-CG1 3.47Å; W191-V307 HydrophobicContact CZ2-CG2 3.97Å; M236-V307 HydrophobicContact CE-CG2 4.3Å; M236-V307 HydrophobicContact SD-CG2 3.65Å; F239-V307 HydrophobicContact CD2-CG2 3.96Å; F239-V307 HydrophobicContact CE2-CB 3.86Å; F239-V307 HydrophobicContact CE2-CG1 4.16Å; F239-V307 HydrophobicContact CE2-CG2 3.5Å; F239-V307 HydrophobicContact CZ-CB 4.48Å; F239-V307 HydrophobicContact CZ-CG2 4.25Å; W275-V307 HydrophobicContact CH2-CB 4.13Å; W275-V307 HydrophobicContact CH2-CG1 3.82Å; E303-V307 PolarHBondContact O-N 3.13Å; V304-V307 PolarHBondContact O-N 3.05Å; V307-K309 VanDerWaalsContact C-N 3.3Å; V307-K309 PolarHBondContact O-N 3.44Å; V307-F310 WeakPolarHBondContact O-CB 3.23Å; V307-F310 PolarHBondContact O-N 2.87Å; V307-F310 VanDerWaalsContact O-N 3.09Å; V307-L311 HydrophobicContact CG1-CD1 3.75Å; V307-L311 HydrophobicContact CG1-CG 4.1Å; V307-L311 WeakPolarHBondContact O-CG 3.49Å; V307-L311 PolarHBondContact O-N 2.83Å
308	A	98.8	Very high	97.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-41.6	176.3	0	0	0	0	0	111.9	W275 E299 V304 R312 W386	W275-A308 HydrophobicContact CE3-CB 4.31Å; W275-A308 HydrophobicContact CZ3-CB 3.91Å; E299-A308 HydrophobicContact CG-CB 4.43Å; E299-A308 WeakPolarHBondContact OE2-CB 3.4Å; V304-A308 WeakPolarHBondContact O-CB 3.44Å; V304-A308 PolarHBondContact O-N 3.25Å; A308-R312 WeakPolarHBondContact O-CB 3.46Å; A308-R312 VanDerWaalsContact O-CG 3.31Å; A308-R312 WeakPolarHBondContact O-CG 3.41Å; A308-R312 PolarHBondContact O-N 3.45Å; A308-R312 PolarHBondContact O-NE 2.8Å; A308-W386 HydrophobicContact CB-CH2 4.01Å; A308-W386 HydrophobicContact CB-CZ2 3.66Å; A308-W386 WeakPolarHBondContact O-CH2 3.46Å
309	K	98.7	Very high	97.6	Very high	155 Å²	155	54.8 Å²	54.8	67%	0.674	25%	0.247	S	C	*	.	H	α-helix	trans	-61.5	-45.5	173.5	-178.2	-178.2	178.4	-177.2	0	111.6	K305 A306 V307 K313	K305-K309 VanDerWaalsContact O-CB 3.26Å; K305-K309 WeakPolarHBondContact O-CB 3.4Å; K305-K309 PolarHBondContact O-N 3.21Å; A306-K309 PolarHBondContact O-N 3.26Å; V307-K309 VanDerWaalsContact C-N 3.3Å; V307-K309 PolarHBondContact O-N 3.44Å; K309-K313 PolarHBondContact O-N 3.03Å; K309-K313 VanDerWaalsContact O-N 3.16Å
310	F	98.6	Very high	97.5	Very high	19 Å²	19	53.9 Å²	53.9	8%	0.083	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-49.2	178.7	179	-92.2	0	0	0	112	L163 L165 W191 F234 A306 V307 R312 K313 H314 M318	L163-F310 HydrophobicContact CD1-CE2 4.34Å; L165-F310 HydrophobicContact CD1-CB 3.93Å; L165-F310 HydrophobicContact CD1-CD2 4.38Å; L165-F310 HydrophobicContact CD1-CG 4.04Å; L165-F310 HydrophobicContact CD2-CB 4.14Å; L165-F310 HydrophobicContact CD2-CD2 3.36Å; L165-F310 HydrophobicContact CD2-CE2 3.93Å; L165-F310 HydrophobicContact CD2-CG 3.87Å; W191-F310 AromaticContact CE3-CD1 3.88Å; W191-F310 HydrophobicContact CE3-CD1 3.88Å; W191-F310 AromaticContact CE3-CE1 3.73Å; W191-F310 HydrophobicContact CE3-CE1 3.73Å; W191-F310 HydrophobicContact CH2-CD1 4.44Å; W191-F310 AromaticContact CZ3-CD1 3.53Å; W191-F310 HydrophobicContact CZ3-CD1 3.53Å; W191-F310 AromaticContact CZ3-CE1 3.58Å; W191-F310 HydrophobicContact CZ3-CE1 3.58Å; W191-F310 HydrophobicContact CZ3-CG 4.42Å; W191-F310 HydrophobicContact CZ3-CZ 4.48Å; F234-F310 HydrophobicContact CD1-CE1 4.16Å; F234-F310 AromaticContact CD1-CZ 3.64Å; F234-F310 HydrophobicContact CD1-CZ 3.64Å; F234-F310 HydrophobicContact CD2-CE1 4.38Å; F234-F310 HydrophobicContact CD2-CZ 4.4Å; F234-F310 HydrophobicContact CE1-CE1 4.48Å; F234-F310 AromaticContact CE1-CZ 3.64Å; F234-F310 HydrophobicContact CE1-CZ 3.64Å; F234-F310 HydrophobicContact CE2-CZ 4.38Å; F234-F310 HydrophobicContact CG-CE1 4.1Å; F234-F310 HydrophobicContact CG-CZ 4.04Å; F234-F310 HydrophobicContact CZ-CZ 4.02Å; A306-F310 PolarHBondContact O-N 2.96Å; V307-F310 WeakPolarHBondContact O-CB 3.23Å; V307-F310 PolarHBondContact O-N 2.87Å; V307-F310 VanDerWaalsContact O-N 3.09Å; F310-R312 PolarHBondContact O-N 2.92Å; F310-K313 WeakPolarHBondContact O-CB 3.47Å; F310-K313 PolarHBondContact O-N 3.44Å; F310-H314 AromaticContact CD2-CE1 3.55Å; F310-H314 AromaticContact CD2-ND1 3.67Å; F310-H314 AromaticContact CE1-ND1 3.84Å; F310-H314 AromaticContact CE2-CE1 3.23Å; F310-H314 WeakPolarHBondContact CE2-CE1 3.28Å; F310-H314 AromaticContact CE2-ND1 3.52Å; F310-H314 AromaticContact CG-ND1 3.92Å; F310-H314 AromaticContact CZ-CE1 3.66Å; F310-H314 AromaticContact CZ-ND1 3.59Å; F310-H314 PolarHBondContact O-N 3.23Å; F310-H314 VanDerWaalsContact O-N 3.16Å; F310-H314 PolarHBondContact O-ND1 2.76Å; F310-M318 HydrophobicContact CE1-CE 4.32Å
311	L	98.5	Very high	97.6	Very high	3 Å²	3	53 Å²	53	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-41.5	-178.7	-68.8	176.3	0	0	0	111.9	W191 V307 K313 H314 K315 M318 Y321 W386 I392	W191-L311 HydrophobicContact CB-CD2 3.94Å; W191-L311 HydrophobicContact CD2-CD2 3.85Å; W191-L311 HydrophobicContact CE3-CD2 3.94Å; W191-L311 HydrophobicContact CG-CD2 3.85Å; V307-L311 HydrophobicContact CG1-CD1 3.75Å; V307-L311 HydrophobicContact CG1-CG 4.1Å; V307-L311 WeakPolarHBondContact O-CG 3.49Å; V307-L311 PolarHBondContact O-N 2.83Å; L311-K313 VanDerWaalsContact C-N 3.3Å; L311-K313 PolarHBondContact O-N 3.08Å; L311-H314 CarbonylContact O-C 3.55Å; L311-H314 PolarHBondContact O-N 3.39Å; L311-H314 VanDerWaalsContact O-N 3.16Å; L311-K315 PolarHBondContact O-N 2.6Å; L311-M318 HydrophobicContact CD2-CE 3.89Å; L311-M318 HydrophobicContact CD2-CG 4.31Å; L311-Y321 HydrophobicContact CD1-CD2 3.84Å; L311-Y321 HydrophobicContact CD1-CE2 3.81Å; L311-W386 HydrophobicContact CB-CH2 3.77Å; L311-W386 HydrophobicContact CB-CZ3 3.74Å; L311-W386 HydrophobicContact CD1-CE3 4.48Å; L311-W386 HydrophobicContact CD1-CH2 4.39Å; L311-W386 HydrophobicContact CD1-CZ3 3.63Å; L311-W386 HydrophobicContact CG-CZ3 4.34Å; L311-I392 HydrophobicContact CD2-CD1 4.45Å
312	R	97.6	Very high	97.6	Very high	91 Å²	91	52.7 Å²	52.7	34%	0.343	24%	0.235	S	C	.	.	H	α-helix	trans	-57.8	-41.7	173.3	-78.3	-176.7	-70.2	-107.4	0.9	112.3	E299 A308 F310 H314 W386	E299-R312 VanDerWaalsContact CD-NH1 3.26Å; E299-R312 IonicContact OE1-CZ 3.06Å; E299-R312 IonicContact OE1-NH1 3Å; E299-R312 PolarHBondContact OE1-NH1 3.42Å; E299-R312 IonicContact OE2-CZ 3.93Å; E299-R312 VanDerWaalsContact OE2-CZ 3.31Å; E299-R312 IonicContact OE2-NH1 3.79Å; E299-R312 PolarHBondContact OE2-NH1 3.3Å; E299-R312 IonicContact OE2-NH2 3.32Å; E299-R312 PolarHBondContact OE2-NH2 2.82Å; A308-R312 WeakPolarHBondContact O-CB 3.46Å; A308-R312 VanDerWaalsContact O-CG 3.31Å; A308-R312 WeakPolarHBondContact O-CG 3.41Å; A308-R312 PolarHBondContact O-N 3.45Å; A308-R312 PolarHBondContact O-NE 2.8Å; F310-R312 PolarHBondContact O-N 2.92Å; R312-H314 VanDerWaalsContact C-N 3.31Å; R312-H314 PolarHBondContact O-N 2.95Å; R312-W386 HydrophobicContact CG-CH2 4.04Å; R312-W386 HydrophobicContact CG-CZ2 3.9Å
313	K	96.7	Very high	97.6	Very high	173 Å²	173	50.9 Å²	50.9	75%	0.752	22%	0.223	S	C	*	.	H	α-helix	trans	-64.9	-34	178.6	-174.9	179.1	176.8	-175.9	0	112.3	K309 F310 L311	K309-K313 PolarHBondContact O-N 3.03Å; K309-K313 VanDerWaalsContact O-N 3.16Å; F310-K313 WeakPolarHBondContact O-CB 3.47Å; F310-K313 PolarHBondContact O-N 3.44Å; L311-K313 VanDerWaalsContact C-N 3.3Å; L311-K313 PolarHBondContact O-N 3.08Å
314	H	95.4	Very high	97.6	Very high	55 Å²	55	50.9 Å²	50.9	26%	0.255	22%	0.223	S	C	.	.	H	α-helix	trans	-103.8	8.6	-174.8	-60.1	91	0	0	0	114.5	F310 L311 R312 K316 H317 M318	F310-H314 AromaticContact CD2-CE1 3.55Å; F310-H314 AromaticContact CD2-ND1 3.67Å; F310-H314 AromaticContact CE1-ND1 3.84Å; F310-H314 AromaticContact CE2-CE1 3.23Å; F310-H314 WeakPolarHBondContact CE2-CE1 3.28Å; F310-H314 AromaticContact CE2-ND1 3.52Å; F310-H314 AromaticContact CG-ND1 3.92Å; F310-H314 AromaticContact CZ-CE1 3.66Å; F310-H314 AromaticContact CZ-ND1 3.59Å; F310-H314 PolarHBondContact O-N 3.23Å; F310-H314 VanDerWaalsContact O-N 3.16Å; F310-H314 PolarHBondContact O-ND1 2.76Å; L311-H314 CarbonylContact O-C 3.55Å; L311-H314 PolarHBondContact O-N 3.39Å; L311-H314 VanDerWaalsContact O-N 3.16Å; R312-H314 VanDerWaalsContact C-N 3.31Å; R312-H314 PolarHBondContact O-N 2.95Å; H314-K316 PolarHBondContact O-N 3.15Å; H314-H317 PolarHBondContact O-N 3.09Å; H314-M318 HydrophobicContact CB-CE 4.37Å; H314-M318 PolarHBondContact O-N 2.97Å
315	K	92.1	Very high	97.6	Very high	123 Å²	123	50.9 Å²	50.9	54%	0.535	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-31.2	-173	73.1	178.3	-175.2	175.7	0	115.3	L311 H317	L311-K315 PolarHBondContact O-N 2.6Å; K315-H317 VanDerWaalsContact C-N 3.3Å; K315-H317 PolarHBondContact O-N 2.94Å
316	K	93.2	Very high	97.5	Very high	167 Å²	167	45 Å²	45	73%	0.726	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-38.5	-179.7	-69.3	-173.7	177.9	-177.9	0	112	H314 K319	H314-K316 PolarHBondContact O-N 3.15Å; K316-K319 PolarHBondContact O-NZ 2.85Å
317	H	94.9	Very high	97.5	Very high	74 Å²	74	44.8 Å²	44.8	34%	0.343	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-23.5	-175.5	-62.2	-76.2	0	0	0	112.7	K188 S189 H314 K315 K319	K188-H317 WeakPolarHBondContact CA-O 3.44Å; S189-H317 PolarHBondContact N-O 3.2Å; H314-H317 PolarHBondContact O-N 3.09Å; K315-H317 VanDerWaalsContact C-N 3.3Å; K315-H317 PolarHBondContact O-N 2.94Å; H317-K319 WeakPolarHBondContact O-CG 3.41Å; H317-K319 PolarHBondContact O-N 2.87Å
318	M	97.4	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	113.4	178.3	-160.8	62.4	67.3	0	0	111.1	W191 F234 F310 L311 H314 I392	W191-M318 HydrophobicContact CB-CE 4.17Å; W191-M318 HydrophobicContact CB-SD 3.75Å; W191-M318 PolarHBondContact N-SD 3.2Å; W191-M318 VanDerWaalsContact N-SD 3.41Å; F234-M318 HydrophobicContact CD2-CE 3.81Å; F234-M318 HydrophobicContact CE2-CE 4.21Å; F310-M318 HydrophobicContact CE1-CE 4.32Å; L311-M318 HydrophobicContact CD2-CE 3.89Å; L311-M318 HydrophobicContact CD2-CG 4.31Å; H314-M318 HydrophobicContact CB-CE 4.37Å; H314-M318 PolarHBondContact O-N 2.97Å; M318-I392 HydrophobicContact CB-CD1 4.25Å; M318-I392 HydrophobicContact CB-CG1 4.22Å; M318-I392 HydrophobicContact CG-CD1 3.62Å; M318-I392 HydrophobicContact CG-CG1 4Å; M318-I392 HydrophobicContact CG-CG2 4.41Å
319	K	97.5	Very high	97.3	Very high	66 Å²	66	46.7 Å²	46.7	29%	0.287	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-23.6	-177.9	-59.6	-49.4	174.4	-165.2	0	113.6	K188 S189 K316 H317 P393 Y394 L433	K188-K319 HydrophobicContact CB-CG 3.88Å; K188-K319 HydrophobicContact CD-CG 4.02Å; K188-K319 HydrophobicContact CG-CG 3.83Å; S189-K319 PolarHBondContact O-N 3.06Å; K316-K319 PolarHBondContact O-NZ 2.85Å; H317-K319 WeakPolarHBondContact O-CG 3.41Å; H317-K319 PolarHBondContact O-N 2.87Å; K319-P393 WeakPolarHBondContact O-CD 3.13Å; K319-P393 WeakPolarHBondContact O-CG 3.19Å; K319-Y394 WeakPolarHBondContact O-CD2 3.48Å; K319-Y394 PolarHBondContact O-N 3.2Å; K319-L433 HydrophobicContact CB-CD2 4.42Å
320	A	98.4	Very high	97.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.6	173.8	0	0	0	0	0	112.6	M190 W191 Y394 L433	M190-A320 WeakPolarHBondContact CA-O 3.5Å; M190-A320 HydrophobicContact CB-CB 4.34Å; M190-A320 HydrophobicContact CE-CB 4.28Å; M190-A320 HydrophobicContact CG-CB 3.84Å; M190-A320 HydrophobicContact SD-CB 4.21Å; W191-A320 PolarHBondContact N-O 2.91Å; A320-Y394 CarbonylContact C-O 3.48Å; A320-Y394 WeakPolarHBondContact CA-O 3.48Å; A320-L433 HydrophobicContact CB-CD1 3.52Å; A320-L433 HydrophobicContact CB-CD2 4.17Å; A320-L433 HydrophobicContact CB-CG 4.43Å
321	Y	98.9	Very high	97.3	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.6	172.9	174.9	-87.4	0	0	0	107.8	W191 D193 L311 S383 I384 A387 Y394 A395 F396	W191-Y321 HydrophobicContact CB-CD2 4.16Å; W191-Y321 AromaticContact CD1-CD2 3.26Å; W191-Y321 AromaticContact CD1-CE2 3.2Å; W191-Y321 AromaticContact CG-CD2 3.9Å; W191-Y321 HydrophobicContact CG-CD2 3.9Å; W191-Y321 HydrophobicContact CG-CE2 4.15Å; W191-Y321 AromaticContact NE1-CE2 3.48Å; W191-Y321 CarbonylContact O-C 3.58Å; W191-Y321 WeakPolarHBondContact O-CA 3.35Å; D193-Y321 VanDerWaalsContact OD2-CE2 3.25Å; D193-Y321 WeakPolarHBondContact OD2-CE2 3.46Å; D193-Y321 PolarHBondContact OD2-OH 2.96Å; L311-Y321 HydrophobicContact CD1-CD2 3.84Å; L311-Y321 HydrophobicContact CD1-CE2 3.81Å; Y321-S383 WeakPolarHBondContact CE1-OG 3.46Å; Y321-S383 WeakPolarHBondContact OH-CB 3.47Å; Y321-S383 PolarHBondContact OH-OG 2.79Å; Y321-I384 HydrophobicContact CD1-CG2 4.02Å; Y321-I384 HydrophobicContact CE1-CG2 3.82Å; Y321-A387 HydrophobicContact CD1-CB 3.78Å; Y321-A387 HydrophobicContact CD2-CB 4.04Å; Y321-A387 HydrophobicContact CE1-CB 4.43Å; Y321-A387 HydrophobicContact CG-CB 3.57Å; Y321-Y394 PolarHBondContact N-O 3.39Å; Y321-A395 CarbonylContact O-C 3.56Å; Y321-A395 WeakPolarHBondContact O-CA 3.33Å; Y321-F396 PolarHBondContact O-N 3.4Å
322	I	98.9	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.8	173.5	-60.4	-166.9	0	0	0	108.9	M190 W191 I192 D193 I324 F396 F398 V426 I429	M190-I322 HydrophobicContact CE-CB 4.47Å; M190-I322 HydrophobicContact CE-CD1 3Å; M190-I322 HydrophobicContact CE-CG1 3.48Å; M190-I322 VanDerWaalsContact CE-CG1 3.48Å; W191-I322 PolarHBondContact O-N 2.88Å; I192-I322 VanDerWaalsContact CA-O 3.28Å; I192-I322 WeakPolarHBondContact CA-O 3.5Å; I192-I322 HydrophobicContact CG1-CB 4.34Å; I192-I322 HydrophobicContact CG2-CB 4.49Å; D193-I322 PolarHBondContact N-O 3.04Å; I322-I324 HydrophobicContact CG2-CD1 3.46Å; I322-I324 VanDerWaalsContact CG2-CD1 3.46Å; I322-I324 HydrophobicContact CG2-CG1 4.14Å; I322-F396 VanDerWaalsContact CA-O 3.31Å; I322-F396 WeakPolarHBondContact CA-O 3.29Å; I322-F396 HydrophobicContact CG1-CB 4.33Å; I322-F398 HydrophobicContact CD1-CE2 4.06Å; I322-F398 HydrophobicContact CG2-CD2 3.68Å; I322-F398 HydrophobicContact CG2-CE2 3.99Å; I322-V426 HydrophobicContact CD1-CG2 4.2Å; I322-I429 HydrophobicContact CD1-CD1 3.84Å; I322-I429 HydrophobicContact CD1-CG2 4.47Å
323	S	98.9	Very high	97.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126	167.6	-162.8	0	0	0	0	109.4	D193 H325 F396 A397 F398	D193-S323 WeakPolarHBondContact OD1-CA 3.41Å; D193-S323 WeakPolarHBondContact OD1-CB 3.35Å; D193-S323 PolarHBondContact OD1-OG 2.8Å; S323-H325 PolarHBondContact OG-NE2 3.31Å; S323-F396 PolarHBondContact N-O 2.97Å; S323-A397 CarbonylContact O-C 3.55Å; S323-A397 VanDerWaalsContact O-CA 3.24Å; S323-A397 WeakPolarHBondContact O-CA 3.41Å; S323-F398 PolarHBondContact O-N 3.06Å
324	I	98.9	Very high	97.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	120	-176.7	-54.2	-67.4	0	0	0	109.4	I192 D193 C194 F206 I322 F398 L400	I192-I324 HydrophobicContact CG2-CG1 4.03Å; D193-I324 PolarHBondContact O-N 3.06Å; C194-I324 HydrophobicContact CB-CB 4.43Å; F206-I324 HydrophobicContact CD1-CB 4.47Å; F206-I324 HydrophobicContact CD1-CD1 3.98Å; F206-I324 HydrophobicContact CD1-CG1 3.8Å; F206-I324 HydrophobicContact CD1-CG2 4.05Å; F206-I324 HydrophobicContact CE1-CD1 3.76Å; F206-I324 HydrophobicContact CE1-CG1 3.92Å; I322-I324 HydrophobicContact CG2-CD1 3.46Å; I322-I324 VanDerWaalsContact CG2-CD1 3.46Å; I322-I324 HydrophobicContact CG2-CG1 4.14Å; I324-F398 HydrophobicContact CD1-CB 3.87Å; I324-F398 HydrophobicContact CD1-CD2 3.8Å; I324-F398 HydrophobicContact CD1-CG 4.01Å; I324-L400 HydrophobicContact CG2-CD1 3.53Å; I324-L400 HydrophobicContact CG2-CG 3.92Å
325	H	98.9	Very high	97.6	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	175	-179.5	-66.4	-78.7	0	0	0	111.3	H197 E200 S323 F398 E399 L400	H197-H325 AromaticContact CE1-CE1 3.37Å; H197-H325 PolarHBondContact CE1-CE1 2.86Å; H197-H325 AromaticContact CE1-ND1 3.4Å; H197-H325 PolarHBondContact CE1-ND1 2.84Å; H197-H325 AromaticContact ND1-CE1 3.65Å; H197-H325 AromaticContact ND1-ND1 3.25Å; H197-H325 PolarHBondContact ND1-ND1 3.41Å; E200-H325 WeakPolarHBondContact OE2-CA 3.26Å; E200-H325 VanDerWaalsContact OE2-CB 3.31Å; E200-H325 WeakPolarHBondContact OE2-CB 3.42Å; E200-H325 IonicContact OE2-CG 3.36Å; E200-H325 IonicContact OE2-ND1 2.76Å; E200-H325 PolarHBondContact OE2-ND1 3.16Å; S323-H325 PolarHBondContact OG-NE2 3.31Å; H325-F398 CarbonylContact C-O 3.46Å; H325-F398 VanDerWaalsContact CA-O 3.27Å; H325-F398 WeakPolarHBondContact CA-O 3.38Å; H325-F398 VanDerWaalsContact CB-O 3.28Å; H325-F398 WeakPolarHBondContact CB-O 3.08Å; H325-F398 PolarHBondContact N-O 3.02Å; H325-F398 VanDerWaalsContact O-O 3.1Å; H325-E399 VanDerWaalsContact CB-OE2 3.23Å; H325-E399 WeakPolarHBondContact CB-OE2 3.26Å; H325-L400 WeakPolarHBondContact O-CB 3.3Å; H325-L400 WeakPolarHBondContact O-CG 3.23Å; H325-L400 PolarHBondContact O-N 3.48Å
326	A	97.8	Very high	97.9	Very high	3 Å²	3	19.3 Å²	19.3	3%	0.025	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.8	165.2	0	0	0	0	0	109.2	E200 I202 E399 L400 F408	E200-A326 HydrophobicContact CB-CB 4.31Å; E200-A326 HydrophobicContact CG-CB 4.43Å; E200-A326 WeakPolarHBondContact CG-O 3.4Å; E200-A326 VanDerWaalsContact OE1-O 3.13Å; E200-A326 PolarHBondContact OE2-N 2.76Å; E200-A326 VanDerWaalsContact OE2-N 3.16Å; I202-A326 HydrophobicContact CG2-CB 3.41Å; I202-A326 VanDerWaalsContact CG2-CB 3.41Å; A326-E399 PolarHBondContact N-OE2 3Å; A326-L400 HydrophobicContact CB-CB 4.32Å; A326-F408 VanDerWaalsContact O-CE1 3.28Å; A326-F408 WeakPolarHBondContact O-CE1 3.29Å
327	Y	97.6	Very high	98	Very high	10 Å²	10	13.2 Å²	13.2	4%	0.039	6%	0.061	C	C	.	.	S	Bend	cis	-124.4	158.9	0.3	64.2	-89.1	0	0	0	108.9	W68 D83 L400 D402 G407 F408	W68-Y327 HydrophobicContact CB-CE1 4.22Å; W68-Y327 WeakPolarHBondContact CB-OH 3.43Å; W68-Y327 HydrophobicContact CD2-CE1 4.47Å; W68-Y327 AromaticContact CE3-CE1 3.82Å; W68-Y327 HydrophobicContact CE3-CE1 3.82Å; D83-Y327 WeakPolarHBondContact CB-OH 3.36Å; D83-Y327 PolarHBondContact OD2-OH 3.46Å; Y327-L400 WeakPolarHBondContact CA-O 3.12Å; Y327-D402 WeakPolarHBondContact CD2-O 3.49Å; Y327-G407 VanDerWaalsContact CE1-CA 3.5Å; Y327-F408 AromaticContact CD1-CD1 3.77Å; Y327-F408 HydrophobicContact CD1-CD1 3.77Å; Y327-F408 AromaticContact CD1-CE1 3.58Å; Y327-F408 HydrophobicContact CD1-CE1 3.58Å; Y327-F408 HydrophobicContact CD1-CE2 4.44Å; Y327-F408 HydrophobicContact CD1-CG 4.27Å; Y327-F408 AromaticContact CD1-CZ 3.93Å; Y327-F408 HydrophobicContact CD1-CZ 3.93Å; Y327-F408 HydrophobicContact CE1-CD1 4.22Å; Y327-F408 HydrophobicContact CE1-CD2 4.28Å; Y327-F408 AromaticContact CE1-CE1 3.88Å; Y327-F408 HydrophobicContact CE1-CE1 3.88Å; Y327-F408 AromaticContact CE1-CE2 3.94Å; Y327-F408 HydrophobicContact CE1-CE2 3.94Å; Y327-F408 HydrophobicContact CE1-CG 4.4Å; Y327-F408 AromaticContact CE1-CZ 3.71Å; Y327-F408 HydrophobicContact CE1-CZ 3.71Å
328	A	96.8	Very high	98.1	Very high	10 Å²	10	13.4 Å²	13.4	8%	0.083	6%	0.061	C	C	.	.	S	Bend	trans	171.6	-7.8	161.8	0	0	0	0	0	112.9	M330 E399 L400 D402	A328-M330 HydrophobicContact CB-CE 3.96Å; A328-M330 HydrophobicContact CB-CG 3.77Å; A328-M330 HydrophobicContact CB-SD 4Å; A328-E399 HydrophobicContact CB-CB 3.87Å; A328-E399 HydrophobicContact CB-CG 4.41Å; A328-L400 PolarHBondContact N-O 3.37Å; A328-D402 WeakPolarHBondContact CA-O 3.28Å; A328-D402 PolarHBondContact N-O 3.1Å
329	Q	98.5	Very high	98	Very high	30 Å²	30	21 Å²	21	14%	0.14	9%	0.09	C	C	.	.	S	Bend	trans	56.5	61.5	-168.4	-58.5	-179.1	174.4	0	0	112	V365 R366 Y367 R368 E399 L400 R401 T403	Q329-V365 VanDerWaalsContact CD-CG1 3.48Å; Q329-V365 HydrophobicContact CG-CG1 4.42Å; Q329-R366 PolarHBondContact NE2-O 3Å; Q329-R366 VanDerWaalsContact NE2-O 3.11Å; Q329-Y367 HydrophobicContact CB-CD1 4.19Å; Q329-Y367 HydrophobicContact CB-CD2 3.74Å; Q329-Y367 HydrophobicContact CB-CE1 4.18Å; Q329-Y367 HydrophobicContact CB-CE2 3.75Å; Q329-Y367 HydrophobicContact CB-CG 3.97Å; Q329-Y367 HydrophobicContact CG-CD2 4.26Å; Q329-Y367 HydrophobicContact CG-CE2 3.78Å; Q329-Y367 CarbonylContact O-C 3.58Å; Q329-Y367 WeakPolarHBondContact O-CA 3.43Å; Q329-R368 PolarHBondContact O-N 3.48Å; Q329-E399 CarbonylContact C-O 3.45Å; Q329-E399 WeakPolarHBondContact CA-O 3.25Å; Q329-E399 PolarHBondContact N-O 2.85Å; Q329-L400 PolarHBondContact N-O 2.91Å; Q329-L400 VanDerWaalsContact N-O 3.09Å; Q329-R401 HydrophobicContact CG-CG 4.36Å; Q329-T403 HydrophobicContact CB-CG2 4.32Å; Q329-T403 HydrophobicContact CG-CG2 4.06Å
330	M	98.6	Very high	97.9	Very high	7 Å²	7	19.6 Å²	19.6	3%	0.034	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	147	178.1	-55.2	-174.8	175.7	0	0	112.2	A328 L332 R368 T375 L376 F398 E399	A328-M330 HydrophobicContact CB-CE 3.96Å; A328-M330 HydrophobicContact CB-CG 3.77Å; A328-M330 HydrophobicContact CB-SD 4Å; M330-L332 HydrophobicContact CB-CD2 3.82Å; M330-L332 HydrophobicContact CB-CG 4.11Å; M330-L332 HydrophobicContact SD-CD2 4.17Å; M330-R368 CarbonylContact C-O 3.57Å; M330-R368 VanDerWaalsContact CA-O 3.22Å; M330-R368 WeakPolarHBondContact CA-O 3.42Å; M330-R368 VanDerWaalsContact CE-NH1 3.29Å; M330-R368 HydrophobicContact CG-CB 4.31Å; M330-T375 HydrophobicContact SD-CG2 4.11Å; M330-L376 HydrophobicContact SD-CB 4.24Å; M330-L376 HydrophobicContact SD-CD1 4.05Å; M330-F398 CarbonylContact O-C 3.5Å; M330-F398 WeakPolarHBondContact O-CA 3.43Å; M330-E399 HydrophobicContact CB-CB 4.04Å; M330-E399 HydrophobicContact CB-CG 4.25Å; M330-E399 PolarHBondContact N-O 3.17Å; M330-E399 PolarHBondContact O-N 2.04Å
331	L	98.9	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	103.6	166	176.3	56.3	0	0	0	109	A352 A355 V356 R368 Y369 G370 F396 F398	L331-A352 HydrophobicContact CD2-CB 4.04Å; L331-A352 HydrophobicContact CG-CB 4.45Å; L331-A355 HydrophobicContact CD2-CB 3.67Å; L331-V356 HydrophobicContact CB-CG2 3.99Å; L331-V356 HydrophobicContact CD2-CG2 4.01Å; L331-R368 PolarHBondContact N-O 3.25Å; L331-Y369 WeakPolarHBondContact O-CA 3.42Å; L331-Y369 VanDerWaalsContact O-CB 3.23Å; L331-Y369 WeakPolarHBondContact O-CB 3.5Å; L331-G370 PolarHBondContact O-N 3.37Å; L331-F396 HydrophobicContact CD1-CB 3.87Å; L331-F396 HydrophobicContact CD1-CD1 3.95Å; L331-F396 HydrophobicContact CD1-CG 4.16Å; L331-F396 HydrophobicContact CG-CD1 4.3Å; L331-F398 HydrophobicContact CD1-CD1 4.12Å; L331-F398 HydrophobicContact CD1-CD2 3.67Å; L331-F398 HydrophobicContact CD1-CE1 3.86Å; L331-F398 HydrophobicContact CD1-CE2 3.36Å; L331-F398 HydrophobicContact CD1-CG 4.04Å; L331-F398 HydrophobicContact CD1-CZ 3.48Å; L331-F398 VanDerWaalsContact CD1-CZ 3.48Å; L331-F398 HydrophobicContact CD2-CE1 4.36Å; L331-F398 HydrophobicContact CD2-CZ 4.07Å; L331-F398 HydrophobicContact CG-CE1 4.48Å; L331-F398 HydrophobicContact CG-CZ 4.32Å
332	L	98.8	Very high	97.5	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	150.2	-172.8	-51.3	176.6	0	0	0	110.5	M330 G370 A372 T375 L376 F396 A397 E399	M330-L332 HydrophobicContact CB-CD2 3.82Å; M330-L332 HydrophobicContact CB-CG 4.11Å; M330-L332 HydrophobicContact SD-CD2 4.17Å; L332-G370 WeakPolarHBondContact CA-O 3.36Å; L332-A372 HydrophobicContact CB-CB 4.08Å; L332-A372 HydrophobicContact CD1-CB 4.39Å; L332-T375 HydrophobicContact CD2-CG2 3.67Å; L332-L376 HydrophobicContact CD1-CB 3.9Å; L332-L376 HydrophobicContact CD1-CD2 3.68Å; L332-L376 HydrophobicContact CD1-CG 4.38Å; L332-L376 HydrophobicContact CD2-CB 4.27Å; L332-F396 CarbonylContact O-C 3.56Å; L332-F396 WeakPolarHBondContact O-CA 3.2Å; L332-A397 HydrophobicContact CB-CB 4.31Å; L332-A397 PolarHBondContact N-O 2.78Å; L332-A397 PolarHBondContact O-N 3.33Å; L332-E399 HydrophobicContact CD1-CG 4.07Å
333	Y	98.8	Very high	97.3	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	167	169	57	-100.2	0	0	0	110.6	I342 F345 V348 E349 A352 G370 P371 A372 A395 F396	Y333-I342 HydrophobicContact CD2-CD1 3.94Å; Y333-I342 HydrophobicContact CE2-CD1 4.25Å; Y333-F345 WeakPolarHBondContact OH-CE2 3.48Å; Y333-V348 HydrophobicContact CD1-CG1 3.98Å; Y333-V348 HydrophobicContact CD2-CG1 3.79Å; Y333-V348 HydrophobicContact CE2-CG1 4.43Å; Y333-V348 HydrophobicContact CG-CG1 3.56Å; Y333-E349 WeakPolarHBondContact CE1-OE2 3.46Å; Y333-E349 PolarHBondContact OH-OE2 2.97Å; Y333-A352 HydrophobicContact CD1-CB 4.13Å; Y333-A352 HydrophobicContact CE1-CB 4.15Å; Y333-G370 WeakPolarHBondContact CD1-O 3.48Å; Y333-G370 VanDerWaalsContact CZ-C 3.41Å; Y333-G370 PolarHBondContact N-O 2.56Å; Y333-G370 VanDerWaalsContact N-O 3.1Å; Y333-P371 HydrophobicContact CE2-CB 4.26Å; Y333-P371 HydrophobicContact CE2-CG 3.78Å; Y333-P371 CarbonylContact O-C 3.25Å; Y333-P371 VanDerWaalsContact O-CA 3.31Å; Y333-P371 WeakPolarHBondContact O-CA 3.32Å; Y333-P371 WeakPolarHBondContact OH-CD 3.34Å; Y333-A372 PolarHBondContact O-N 3Å; Y333-A395 WeakPolarHBondContact CB-O 3.44Å; Y333-F396 HydrophobicContact CD1-CD1 4.49Å; Y333-F396 HydrophobicContact CD1-CE1 4.18Å; Y333-F396 HydrophobicContact CG-CE1 4.4Å
334	P	98.6	Very high	97	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	17%	0.167	C	C	.	.	S	Bend	trans	-57	152	-179.5	-30.6	38	0	0	0	114.4	I342 I384 D385 Y388 A395	P334-I342 HydrophobicContact CB-CG2 3.97Å; P334-I342 WeakPolarHBondContact O-CG2 3.07Å; P334-I384 HydrophobicContact CG-CB 4.23Å; P334-I384 HydrophobicContact CG-CD1 4.45Å; P334-I384 HydrophobicContact CG-CG1 4.24Å; P334-I384 WeakPolarHBondContact CG-O 3.45Å; P334-D385 WeakPolarHBondContact CB-OD1 3.45Å; P334-Y388 HydrophobicContact CB-CD1 4.41Å; P334-Y388 HydrophobicContact CB-CG 4.25Å; P334-Y388 HydrophobicContact CG-CD2 4.47Å; P334-Y388 HydrophobicContact CG-CG 4.08Å; P334-A395 WeakPolarHBondContact CD-O 3.23Å; P334-A395 HydrophobicContact CG-CB 4.05Å
335	Y	98.3	Very high	96.8	Very high	24 Å²	24	35.1 Å²	35.1	9%	0.094	18%	0.182	C	C	.	.			cis	-93.2	146.4	2.6	-65.9	-74.3	0	0	0	113.2	Y337 K338 A340 I342 A373 D385 Y388	Y335-Y337 HydrophobicContact CD1-CD1 4.21Å; Y335-Y337 AromaticContact CD1-CE1 3.42Å; Y335-Y337 HydrophobicContact CD1-CE1 3.42Å; Y335-Y337 VanDerWaalsContact CD1-CE1 3.42Å; Y335-Y337 AromaticContact CD1-CZ 3.62Å; Y335-Y337 AromaticContact CE1-CE1 3.91Å; Y335-Y337 HydrophobicContact CE1-CE1 3.91Å; Y335-Y337 AromaticContact CE1-CZ 3.89Å; Y335-Y337 WeakPolarHBondContact CE1-OH 3.39Å; Y335-Y337 HydrophobicContact CG-CE1 4.32Å; Y335-K338 HydrophobicContact CD2-CD 4.35Å; Y335-K338 HydrophobicContact CD2-CG 4.18Å; Y335-K338 HydrophobicContact CG-CD 4.45Å; Y335-K338 HydrophobicContact CG-CG 3.96Å; Y335-A340 HydrophobicContact CD2-CB 4.38Å; Y335-I342 HydrophobicContact CD2-CG2 3.78Å; Y335-I342 HydrophobicContact CE2-CG2 3.61Å; Y335-I342 HydrophobicContact CG-CG2 4.41Å; Y335-A373 WeakPolarHBondContact O-CB 3.39Å; Y335-A373 PolarHBondContact O-N 2.9Å; Y335-D385 VanDerWaalsContact CA-OD1 3.24Å; Y335-D385 WeakPolarHBondContact CA-OD1 3.42Å; Y335-D385 WeakPolarHBondContact CD1-OD1 3.23Å; Y335-Y388 HydrophobicContact CE1-CD1 4.07Å; Y335-Y388 HydrophobicContact CE1-CE1 4.45Å
336	S	97.5	Very high	96.6	Very high	5 Å²	5	40.5 Å²	40.5	4%	0.035	21%	0.211	C	C	.	.	S	Bend	trans	-92.1	-36.4	166.4	-39.6	0	0	0	0	111.5	K338 A372 V378 S379 S382 D385	S336-K338 VanDerWaalsContact C-N 3.35Å; S336-K338 PolarHBondContact O-N 2.97Å; S336-A372 WeakPolarHBondContact OG-CB 3.37Å; S336-V378 WeakPolarHBondContact O-CA 3.22Å; S336-S379 CarbonylContact C-O 3.57Å; S336-S379 WeakPolarHBondContact CB-O 3.22Å; S336-S379 PolarHBondContact O-N 2.79Å; S336-S382 PolarHBondContact OG-OG 2.94Å; S336-D385 WeakPolarHBondContact CA-OD2 3.33Å; S336-D385 WeakPolarHBondContact CB-OD2 3.43Å; S336-D385 PolarHBondContact N-OD1 3.18Å; S336-D385 PolarHBondContact N-OD2 2.91Å; S336-D385 VanDerWaalsContact N-OD2 3.1Å; S336-D385 PolarHBondContact OG-OD2 3.24Å
337	Y	96.3	Very high	96.5	Very high	40 Å²	40	40.9 Å²	40.9	16%	0.157	21%	0.213	C	C	.	.	S	Bend	trans	-82.2	-4.5	-174.9	69	-103.5	0	0	0	115.2	V277 K278 Y335 S379 D385	V277-Y337 HydrophobicContact CG2-CD1 4Å; V277-Y337 HydrophobicContact CG2-CE1 3.66Å; K278-Y337 HydrophobicContact CB-CD1 4.31Å; K278-Y337 HydrophobicContact CB-CD2 4Å; K278-Y337 HydrophobicContact CB-CG 3.89Å; K278-Y337 HydrophobicContact CD-CD2 4.5Å; K278-Y337 HydrophobicContact CG-CD1 4.28Å; K278-Y337 HydrophobicContact CG-CD2 3.52Å; K278-Y337 HydrophobicContact CG-CE1 4.38Å; K278-Y337 HydrophobicContact CG-CE2 3.6Å; K278-Y337 HydrophobicContact CG-CG 3.88Å; Y335-Y337 HydrophobicContact CD1-CD1 4.21Å; Y335-Y337 AromaticContact CD1-CE1 3.42Å; Y335-Y337 HydrophobicContact CD1-CE1 3.42Å; Y335-Y337 VanDerWaalsContact CD1-CE1 3.42Å; Y335-Y337 AromaticContact CD1-CZ 3.62Å; Y335-Y337 AromaticContact CE1-CE1 3.91Å; Y335-Y337 HydrophobicContact CE1-CE1 3.91Å; Y335-Y337 AromaticContact CE1-CZ 3.89Å; Y335-Y337 WeakPolarHBondContact CE1-OH 3.39Å; Y335-Y337 HydrophobicContact CG-CE1 4.32Å; Y337-S379 VanDerWaalsContact CA-O 3.29Å; Y337-S379 WeakPolarHBondContact CA-O 3.33Å; Y337-S379 PolarHBondContact N-O 3.21Å; Y337-D385 HydrophobicContact CD1-CB 3.79Å; Y337-D385 VanDerWaalsContact CD1-CG 3.46Å; Y337-D385 VanDerWaalsContact CD1-OD2 3.29Å; Y337-D385 WeakPolarHBondContact CD1-OD2 3.48Å; Y337-D385 HydrophobicContact CE1-CB 3.95Å; Y337-D385 PolarHBondContact N-OD2 3.43Å
338	K	95.3	Very high	96.5	Very high	78 Å²	78	40.5 Å²	40.5	34%	0.339	21%	0.211	S	C	.	.	S	Bend	trans	-157.2	154.7	-179.2	63.1	171	176.9	164.9	0	112.9	Y335 S336 A340 A373	Y335-K338 HydrophobicContact CD2-CD 4.35Å; Y335-K338 HydrophobicContact CD2-CG 4.18Å; Y335-K338 HydrophobicContact CG-CD 4.45Å; Y335-K338 HydrophobicContact CG-CG 3.96Å; S336-K338 VanDerWaalsContact C-N 3.35Å; S336-K338 PolarHBondContact O-N 2.97Å; K338-A340 HydrophobicContact CD-CB 3.76Å; K338-A340 HydrophobicContact CG-CB 4.07Å; K338-A340 PolarHBondContact O-N 2.79Å; K338-A373 WeakPolarHBondContact O-CB 3.37Å
339	Y	95.6	Very high	96.5	Very high	158 Å²	158	42.1 Å²	42.1	62%	0.62	22%	0.218	S	C	*	.	S	Bend	trans	-82.1	84.7	168.3	-57.4	-71.8	0	0	0	110.5	A373 T374 V378	Y339-A373 HydrophobicContact CD1-CB 3.97Å; Y339-A373 HydrophobicContact CE1-CB 4.03Å; Y339-A373 WeakPolarHBondContact CE1-O 3.24Å; Y339-T374 HydrophobicContact CD1-CG2 3.69Å; Y339-T374 HydrophobicContact CE1-CG2 4.1Å; Y339-V378 HydrophobicContact CD2-CG2 4.29Å; Y339-V378 HydrophobicContact CE1-CG2 3.88Å; Y339-V378 HydrophobicContact CE2-CG2 3.5Å; Y339-V378 VanDerWaalsContact OH-CG2 3.26Å; Y339-V378 WeakPolarHBondContact OH-CG2 3.44Å
340	A	94.8	Very high	96.4	Very high	38 Å²	38	43.3 Å²	43.3	31%	0.314	23%	0.229	S	C	.	.			trans	-151.7	154.3	175	0	0	0	0	0	111	Y335 K338	Y335-A340 HydrophobicContact CD2-CB 4.38Å; K338-A340 HydrophobicContact CD-CB 3.76Å; K338-A340 HydrophobicContact CG-CB 4.07Å; K338-A340 PolarHBondContact O-N 2.79Å
341	T	93.9	Very high	96.4	Very high	110 Å²	110	43.7 Å²	43.7	68%	0.675	23%	0.233	S	C	*	.			trans	-74.1	153.5	171.3	54.6	0	0	0	0	111.1
342	I	95.5	Very high	96.4	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	23%	0.233	C	C	.	.			trans	-90.2	145.8	173.7	49.5	168.9	0	0	0	110.9	Y333 P334 Y335 N344 F345 V348 Y388	Y333-I342 HydrophobicContact CD2-CD1 3.94Å; Y333-I342 HydrophobicContact CE2-CD1 4.25Å; P334-I342 HydrophobicContact CB-CG2 3.97Å; P334-I342 WeakPolarHBondContact O-CG2 3.07Å; Y335-I342 HydrophobicContact CD2-CG2 3.78Å; Y335-I342 HydrophobicContact CE2-CG2 3.61Å; Y335-I342 HydrophobicContact CG-CG2 4.41Å; I342-N344 VanDerWaalsContact C-N 3.29Å; I342-N344 PolarHBondContact O-N 2.98Å; I342-N344 VanDerWaalsContact O-N 3.17Å; I342-F345 HydrophobicContact CG1-CB 4.16Å; I342-F345 HydrophobicContact CG1-CD2 4.39Å; I342-F345 WeakPolarHBondContact O-CB 3.31Å; I342-F345 PolarHBondContact O-N 2.85Å; I342-F345 VanDerWaalsContact O-N 3.09Å; I342-V348 HydrophobicContact CD1-CB 3.58Å; I342-V348 HydrophobicContact CD1-CG1 3.66Å; I342-V348 HydrophobicContact CD1-CG2 3.7Å; I342-Y388 HydrophobicContact CB-CE1 4.15Å; I342-Y388 HydrophobicContact CG2-CD1 4.43Å; I342-Y388 HydrophobicContact CG2-CE1 3.89Å
343	P	95.4	Very high	96.4	Very high	116 Å²	116	48 Å²	48	75%	0.753	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-37.5	-179.3	-32.5	33.5	0	0	0	116.3	Y388	P343-Y388 VanDerWaalsContact CD-OH 3.25Å; P343-Y388 WeakPolarHBondContact CD-OH 3.42Å
344	N	93.4	Very high	96.3	Very high	24 Å²	24	52.2 Å²	52.2	13%	0.128	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	36.1	179.4	67.4	-33.5	0	0	0	112.8	I342 N346 C347 V348 Y388 P393	I342-N344 VanDerWaalsContact C-N 3.29Å; I342-N344 PolarHBondContact O-N 2.98Å; I342-N344 VanDerWaalsContact O-N 3.17Å; N344-N346 PolarHBondContact O-N 3.17Å; N344-C347 WeakPolarHBondContact O-CB 3.39Å; N344-C347 PolarHBondContact O-N 2.74Å; N344-C347 VanDerWaalsContact O-N 3.1Å; N344-V348 WeakPolarHBondContact ND2-CG2 3.47Å; N344-V348 PolarHBondContact O-N 2.97Å; N344-Y388 VanDerWaalsContact OD1-CE2 3.23Å; N344-Y388 WeakPolarHBondContact OD1-CE2 3.26Å; N344-Y388 VanDerWaalsContact OD1-CZ 3.31Å; N344-Y388 PolarHBondContact OD1-OH 3.17Å; N344-P393 PolarHBondContact ND2-O 2.83Å
345	F	94.5	Very high	96.3	Very high	71 Å²	71	52.1 Å²	52.1	31%	0.311	28%	0.276	S	S	.	.	H	α-helix	trans	-45.1	-54.9	-175.1	177.3	-100.9	0	0	0	113.7	Y333 I342 C347 V348 E349	Y333-F345 WeakPolarHBondContact OH-CE2 3.48Å; I342-F345 HydrophobicContact CG1-CB 4.16Å; I342-F345 HydrophobicContact CG1-CD2 4.39Å; I342-F345 WeakPolarHBondContact O-CB 3.31Å; I342-F345 PolarHBondContact O-N 2.85Å; I342-F345 VanDerWaalsContact O-N 3.09Å; F345-C347 VanDerWaalsContact C-N 3.25Å; F345-C347 PolarHBondContact O-N 3.04Å; F345-C347 VanDerWaalsContact O-N 3.15Å; F345-V348 PolarHBondContact O-N 2.83Å; F345-E349 HydrophobicContact CD2-CB 4.47Å; F345-E349 HydrophobicContact CE1-CB 4.18Å; F345-E349 HydrophobicContact CE1-CG 4.21Å; F345-E349 HydrophobicContact CE2-CB 4.15Å; F345-E349 HydrophobicContact CE2-CG 4.35Å; F345-E349 HydrophobicContact CZ-CB 3.98Å; F345-E349 HydrophobicContact CZ-CG 3.84Å; F345-E349 VanDerWaalsContact O-CB 3.28Å; F345-E349 WeakPolarHBondContact O-CB 3.46Å; F345-E349 PolarHBondContact O-N 2.95Å
346	N	94.8	Very high	96.3	Very high	115 Å²	115	51.7 Å²	51.7	62%	0.615	28%	0.275	S	S	*	.	H	α-helix	trans	-54.5	-40.1	-177	-66.2	-13.8	0	0	0	112.9	N344 S350	N344-N346 PolarHBondContact O-N 3.17Å; N346-S350 WeakPolarHBondContact O-CB 3.17Å; N346-S350 PolarHBondContact O-N 3.43Å; N346-S350 VanDerWaalsContact O-N 3.1Å
347	C	95.2	Very high	96.4	Very high	11 Å²	11	55.5 Å²	55.5	7%	0.074	30%	0.299	C	S	.	.	H	α-helix	trans	-67.3	-46.2	178.4	-59.8	0	0	0	0	112.1	N344 F345 A351 Y394 C437	N344-C347 WeakPolarHBondContact O-CB 3.39Å; N344-C347 PolarHBondContact O-N 2.74Å; N344-C347 VanDerWaalsContact O-N 3.1Å; F345-C347 VanDerWaalsContact C-N 3.25Å; F345-C347 PolarHBondContact O-N 3.04Å; F345-C347 VanDerWaalsContact O-N 3.15Å; C347-A351 VanDerWaalsContact O-CB 3.29Å; C347-A351 WeakPolarHBondContact O-CB 3.38Å; C347-A351 PolarHBondContact O-N 3.38Å; C347-Y394 HydrophobicContact CB-CE1 4.04Å; C347-C437 VanDerWaalsContact CA-SG 3.57Å; C347-C437 HydrophobicContact CB-CB 3.9Å; C347-C437 WeakPolarHBondContact CB-SG 3.42Å; C347-C437 WeakPolarHBondContact SG-CB 3.14Å; C347-C437 CovalentContact SG-SG 2.01Å; C347-C437 PolarHBondContact SG-SG 3.33Å
348	V	97.2	Very high	96.5	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-74.1	-42.3	-174.5	172.7	0	0	0	0	110.7	Y333 I342 N344 F345 A351 A352 Y394 F396	Y333-V348 HydrophobicContact CD1-CG1 3.98Å; Y333-V348 HydrophobicContact CD2-CG1 3.79Å; Y333-V348 HydrophobicContact CE2-CG1 4.43Å; Y333-V348 HydrophobicContact CG-CG1 3.56Å; I342-V348 HydrophobicContact CD1-CB 3.58Å; I342-V348 HydrophobicContact CD1-CG1 3.66Å; I342-V348 HydrophobicContact CD1-CG2 3.7Å; N344-V348 WeakPolarHBondContact ND2-CG2 3.47Å; N344-V348 PolarHBondContact O-N 2.97Å; F345-V348 PolarHBondContact O-N 2.83Å; V348-A351 PolarHBondContact O-N 3.3Å; V348-A352 WeakPolarHBondContact O-CB 3.43Å; V348-A352 PolarHBondContact O-N 3.3Å; V348-Y394 HydrophobicContact CG2-CD1 4.05Å; V348-Y394 HydrophobicContact CG2-CE1 4.33Å; V348-F396 HydrophobicContact CG1-CE1 3.68Å; V348-F396 HydrophobicContact CG1-CZ 3.82Å
349	E	96.8	Very high	96.7	Very high	45 Å²	45	51 Å²	51	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-46.7	176.9	-178.1	67.4	172.4	0	0	111	Y333 F345 A351 A352 Q353 Y369	Y333-E349 WeakPolarHBondContact CE1-OE2 3.46Å; Y333-E349 PolarHBondContact OH-OE2 2.97Å; F345-E349 HydrophobicContact CD2-CB 4.47Å; F345-E349 HydrophobicContact CE1-CB 4.18Å; F345-E349 HydrophobicContact CE1-CG 4.21Å; F345-E349 HydrophobicContact CE2-CB 4.15Å; F345-E349 HydrophobicContact CE2-CG 4.35Å; F345-E349 HydrophobicContact CZ-CB 3.98Å; F345-E349 HydrophobicContact CZ-CG 3.84Å; F345-E349 VanDerWaalsContact O-CB 3.28Å; F345-E349 WeakPolarHBondContact O-CB 3.46Å; F345-E349 PolarHBondContact O-N 2.95Å; E349-A351 VanDerWaalsContact C-N 3.31Å; E349-A351 PolarHBondContact O-N 2.85Å; E349-A352 PolarHBondContact O-N 3.1Å; E349-Q353 WeakPolarHBondContact O-CB 3.25Å; E349-Q353 PolarHBondContact O-N 3.21Å; E349-Y369 VanDerWaalsContact OE1-CE2 3.31Å; E349-Y369 WeakPolarHBondContact OE1-CE2 3.42Å
350	S	96.8	Very high	96.8	Very high	55 Å²	55	48.7 Å²	48.7	39%	0.385	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-40.1	174.7	-175.6	0	0	0	0	111.8	N346 N354	N346-S350 WeakPolarHBondContact O-CB 3.17Å; N346-S350 PolarHBondContact O-N 3.43Å; N346-S350 VanDerWaalsContact O-N 3.1Å; S350-N354 WeakPolarHBondContact O-CB 3.31Å; S350-N354 PolarHBondContact O-N 2.84Å; S350-N354 PolarHBondContact O-ND2 3.15Å; S350-N354 PolarHBondContact OG-ND2 2.76Å
351	A	97.9	Very high	97	Very high	15 Å²	15	50.3 Å²	50.3	12%	0.124	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-41.6	175	0	0	0	0	0	112	C347 V348 E349 A355 Y394 F396	C347-A351 VanDerWaalsContact O-CB 3.29Å; C347-A351 WeakPolarHBondContact O-CB 3.38Å; C347-A351 PolarHBondContact O-N 3.38Å; V348-A351 PolarHBondContact O-N 3.3Å; E349-A351 VanDerWaalsContact C-N 3.31Å; E349-A351 PolarHBondContact O-N 2.85Å; A351-A355 VanDerWaalsContact O-CB 3.29Å; A351-A355 WeakPolarHBondContact O-CB 3.37Å; A351-A355 PolarHBondContact O-N 2.89Å; A351-Y394 HydrophobicContact CB-CD1 4.39Å; A351-Y394 HydrophobicContact CB-CE1 4.34Å; A351-F396 HydrophobicContact CB-CZ 4.01Å
352	A	98.5	Very high	97.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-47.8	176.6	0	0	0	0	0	111.7	L331 Y333 V348 E349 N354 A355 V356 Y369 F396	L331-A352 HydrophobicContact CD2-CB 4.04Å; L331-A352 HydrophobicContact CG-CB 4.45Å; Y333-A352 HydrophobicContact CD1-CB 4.13Å; Y333-A352 HydrophobicContact CE1-CB 4.15Å; V348-A352 WeakPolarHBondContact O-CB 3.43Å; V348-A352 PolarHBondContact O-N 3.3Å; E349-A352 PolarHBondContact O-N 3.1Å; A352-N354 PolarHBondContact O-N 2.79Å; A352-A355 WeakPolarHBondContact O-CB 3.47Å; A352-A355 PolarHBondContact O-N 3.06Å; A352-V356 WeakPolarHBondContact O-CG2 3.37Å; A352-V356 PolarHBondContact O-N 2.92Å; A352-Y369 HydrophobicContact CB-CD2 3.8Å; A352-Y369 HydrophobicContact CB-CG 4.31Å; A352-F396 HydrophobicContact CB-CE1 4.04Å
353	Q	98.5	Very high	97.3	Very high	95 Å²	95	51.5 Å²	51.5	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-45.8	177.5	-176.2	-179.8	11.2	0	0	111.8	E349 A355 V356 T357 Y369	E349-Q353 WeakPolarHBondContact O-CB 3.25Å; E349-Q353 PolarHBondContact O-N 3.21Å; Q353-A355 VanDerWaalsContact C-N 3.32Å; Q353-A355 PolarHBondContact O-N 2.76Å; Q353-V356 PolarHBondContact O-N 2.95Å; Q353-T357 WeakPolarHBondContact O-CB 3.23Å; Q353-T357 PolarHBondContact O-N 3.33Å; Q353-T357 PolarHBondContact O-OG1 3.16Å; Q353-Y369 HydrophobicContact CB-CE2 4Å; Q353-Y369 WeakPolarHBondContact CG-OH 3.33Å
354	N	98.3	Very high	97.4	Very high	89 Å²	89	47.7 Å²	47.7	48%	0.476	26%	0.264	S	S	.	.	H	α-helix	trans	-62.5	-40.1	176.5	-74.2	-38.5	0	0	0	111.6	S350 A352 T357 A358	S350-N354 WeakPolarHBondContact O-CB 3.31Å; S350-N354 PolarHBondContact O-N 2.84Å; S350-N354 PolarHBondContact O-ND2 3.15Å; S350-N354 PolarHBondContact OG-ND2 2.76Å; A352-N354 PolarHBondContact O-N 2.79Å; N354-T357 PolarHBondContact O-N 3.07Å; N354-A358 WeakPolarHBondContact O-CB 3.39Å; N354-A358 PolarHBondContact O-N 2.92Å
355	A	98.7	Very high	97.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-46.2	178	0	0	0	0	0	112.1	L331 A351 A352 Q353 A358 L359 A425 I429	L331-A355 HydrophobicContact CD2-CB 3.67Å; A351-A355 VanDerWaalsContact O-CB 3.29Å; A351-A355 WeakPolarHBondContact O-CB 3.37Å; A351-A355 PolarHBondContact O-N 2.89Å; A352-A355 WeakPolarHBondContact O-CB 3.47Å; A352-A355 PolarHBondContact O-N 3.06Å; Q353-A355 VanDerWaalsContact C-N 3.32Å; Q353-A355 PolarHBondContact O-N 2.76Å; A355-A358 PolarHBondContact O-N 3.36Å; A355-L359 WeakPolarHBondContact O-CB 3.32Å; A355-L359 PolarHBondContact O-N 2.92Å; A355-A425 HydrophobicContact CB-CB 4.11Å; A355-A425 WeakPolarHBondContact O-CA 3.48Å; A355-A425 WeakPolarHBondContact O-CB 3.3Å; A355-I429 HydrophobicContact CB-CD1 3.98Å; A355-I429 HydrophobicContact CB-CG1 3.75Å
356	V	98.6	Very high	97.7	Very high	14 Å²	14	53.5 Å²	53.5	9%	0.085	28%	0.284	C	S	.	.	H	α-helix	trans	-66.9	-36.5	177.2	172.5	0	0	0	0	111.7	L331 A352 Q353 L359 Y360 Y367 Y369	L331-V356 HydrophobicContact CB-CG2 3.99Å; L331-V356 HydrophobicContact CD2-CG2 4.01Å; A352-V356 WeakPolarHBondContact O-CG2 3.37Å; A352-V356 PolarHBondContact O-N 2.92Å; Q353-V356 PolarHBondContact O-N 2.95Å; V356-L359 WeakPolarHBondContact O-CB 3.3Å; V356-L359 PolarHBondContact O-N 3.33Å; V356-Y360 WeakPolarHBondContact O-CB 3.24Å; V356-Y360 PolarHBondContact O-N 2.79Å; V356-Y367 WeakPolarHBondContact CG1-O 3.08Å; V356-Y369 HydrophobicContact CB-CD1 4.11Å; V356-Y369 HydrophobicContact CG1-CD1 4.27Å; V356-Y369 HydrophobicContact CG2-CD1 3.84Å; V356-Y369 HydrophobicContact CG2-CG 4.17Å
357	T	98.7	Very high	97.9	Very high	86 Å²	86	48.6 Å²	48.6	53%	0.528	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-44.2	174.4	-58.1	0	0	0	0	111.1	Q353 N354 L359 Y360 S361	Q353-T357 WeakPolarHBondContact O-CB 3.23Å; Q353-T357 PolarHBondContact O-N 3.33Å; Q353-T357 PolarHBondContact O-OG1 3.16Å; N354-T357 PolarHBondContact O-N 3.07Å; T357-L359 VanDerWaalsContact C-N 3.35Å; T357-L359 PolarHBondContact O-N 3.43Å; T357-Y360 PolarHBondContact O-N 2.83Å; T357-S361 PolarHBondContact O-N 2.9Å; T357-S361 VanDerWaalsContact O-N 3.09Å
358	A	98.7	Very high	98.1	Very high	24 Å²	24	54.9 Å²	54.9	20%	0.198	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-41.4	175.8	0	0	0	0	0	111.7	N354 A355 S361 K424 A428	N354-A358 WeakPolarHBondContact O-CB 3.39Å; N354-A358 PolarHBondContact O-N 2.92Å; A355-A358 PolarHBondContact O-N 3.36Å; A358-S361 PolarHBondContact O-N 2.86Å; A358-S361 PolarHBondContact O-OG 3.11Å; A358-K424 HydrophobicContact CB-CB 4.21Å; A358-K424 WeakPolarHBondContact O-CB 3.24Å; A358-K424 WeakPolarHBondContact O-CD 3.18Å; A358-A428 HydrophobicContact CB-CB 3.93Å
359	L	98.6	Very high	98.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59	-52.6	173.9	-168.3	155	0	0	0	111.1	A355 V356 T357 S361 A362 V365 Y367 E421 A425	A355-L359 WeakPolarHBondContact O-CB 3.32Å; A355-L359 PolarHBondContact O-N 2.92Å; V356-L359 WeakPolarHBondContact O-CB 3.3Å; V356-L359 PolarHBondContact O-N 3.33Å; T357-L359 VanDerWaalsContact C-N 3.35Å; T357-L359 PolarHBondContact O-N 3.43Å; L359-S361 PolarHBondContact O-N 3.13Å; L359-A362 WeakPolarHBondContact O-CB 3.41Å; L359-A362 PolarHBondContact O-N 3.37Å; L359-V365 HydrophobicContact CD2-CB 4.34Å; L359-Y367 HydrophobicContact CD1-CD1 3.94Å; L359-Y367 HydrophobicContact CD1-CD2 3.81Å; L359-Y367 HydrophobicContact CD1-CE1 3.89Å; L359-Y367 HydrophobicContact CD1-CE2 3.75Å; L359-Y367 HydrophobicContact CD1-CG 3.91Å; L359-Y367 HydrophobicContact CD2-CD2 3.43Å; L359-Y367 VanDerWaalsContact CD2-CD2 3.43Å; L359-Y367 HydrophobicContact CD2-CE2 3.52Å; L359-Y367 HydrophobicContact CD2-CG 4.23Å; L359-Y367 HydrophobicContact CG-CD2 4.28Å; L359-Y367 HydrophobicContact CG-CE2 4.29Å; L359-E421 HydrophobicContact CD1-CG 4.37Å; L359-E421 HydrophobicContact CD2-CB 3.94Å; L359-E421 HydrophobicContact CD2-CG 3.91Å; L359-E421 HydrophobicContact CG-CB 3.8Å; L359-E421 HydrophobicContact CG-CG 3.89Å; L359-A425 HydrophobicContact CB-CB 4.12Å; L359-A425 HydrophobicContact CD1-CB 4.18Å
360	Y	98.6	Very high	98.2	Very high	109 Å²	109	56.3 Å²	56.3	43%	0.427	28%	0.284	S	S	.	.	H	α-helix	trans	-55.1	-37.1	-179.9	-178	-95.7	0	0	0	111.9	V356 T357 A362 Y363 G364 R366	V356-Y360 WeakPolarHBondContact O-CB 3.24Å; V356-Y360 PolarHBondContact O-N 2.79Å; T357-Y360 PolarHBondContact O-N 2.83Å; Y360-A362 PolarHBondContact O-N 3.24Å; Y360-A362 VanDerWaalsContact O-N 3.08Å; Y360-Y363 PolarHBondContact O-N 3.42Å; Y360-G364 VanDerWaalsContact CD2-C 3.48Å; Y360-G364 WeakPolarHBondContact CD2-O 3.16Å; Y360-G364 VanDerWaalsContact CE2-C 3.47Å; Y360-G364 WeakPolarHBondContact CE2-O 3.25Å; Y360-G364 VanDerWaalsContact O-CA 3.29Å; Y360-G364 WeakPolarHBondContact O-CA 3.44Å; Y360-G364 PolarHBondContact O-N 3.37Å; Y360-R366 HydrophobicContact CD2-CG 4.07Å; Y360-R366 HydrophobicContact CE2-CG 3.83Å
361	S	98.4	Very high	98.3	Very high	72 Å²	72	55.1 Å²	55.1	50%	0.503	28%	0.275	S	S	.	.	H	α-helix	trans	-63.2	-12.6	178.5	81.4	0	0	0	0	115.3	T357 A358 L359 K424	T357-S361 PolarHBondContact O-N 2.9Å; T357-S361 VanDerWaalsContact O-N 3.09Å; A358-S361 PolarHBondContact O-N 2.86Å; A358-S361 PolarHBondContact O-OG 3.11Å; L359-S361 PolarHBondContact O-N 3.13Å; S361-K424 PolarHBondContact O-NZ 2.02Å; S361-K424 WeakPolarHBondContact OG-CD 3.42Å; S361-K424 PolarHBondContact OG-NZ 3.09Å
362	A	97.4	Very high	98.2	Very high	24 Å²	24	54.6 Å²	54.6	20%	0.198	27%	0.271	C	S	.	.	H	α-helix	trans	-77.4	-52.9	176.8	0	0	0	0	0	111.7	L359 Y360 I420 E421 K424	L359-A362 WeakPolarHBondContact O-CB 3.41Å; L359-A362 PolarHBondContact O-N 3.37Å; Y360-A362 PolarHBondContact O-N 3.24Å; Y360-A362 VanDerWaalsContact O-N 3.08Å; A362-I420 HydrophobicContact CB-CG2 4.35Å; A362-E421 HydrophobicContact CB-CB 3.75Å; A362-K424 HydrophobicContact CB-CD 4.05Å
363	Y	98	Very high	98.1	Very high	115 Å²	115	54.8 Å²	54.8	45%	0.451	27%	0.272	S	S	.	.	H	α-helix	trans	-144.6	9.7	-169.2	-58.8	-63.5	0	0	0	114.2	Y360 V365 P417 I420 E421	Y360-Y363 PolarHBondContact O-N 3.42Å; Y363-V365 VanDerWaalsContact C-N 3.28Å; Y363-V365 PolarHBondContact O-N 3.22Å; Y363-P417 HydrophobicContact CD2-CB 4.07Å; Y363-P417 HydrophobicContact CE2-CB 3.76Å; Y363-P417 WeakPolarHBondContact CE2-O 3.33Å; Y363-I420 HydrophobicContact CE2-CB 3.99Å; Y363-I420 HydrophobicContact CE2-CG2 3.84Å; Y363-I420 VanDerWaalsContact OH-CD1 3.29Å; Y363-I420 WeakPolarHBondContact OH-CD1 3.26Å; Y363-E421 HydrophobicContact CD2-CB 4.24Å
364	G	97.8	Very high	97.9	Very high	37 Å²	37	54.3 Å²	54.3	38%	0.381	28%	0.276	S	S	.	.			trans	73.4	14.9	-178.1	0	0	0	0	0	114.8	Y360 R366	Y360-G364 VanDerWaalsContact CD2-C 3.48Å; Y360-G364 WeakPolarHBondContact CD2-O 3.16Å; Y360-G364 VanDerWaalsContact CE2-C 3.47Å; Y360-G364 WeakPolarHBondContact CE2-O 3.25Å; Y360-G364 VanDerWaalsContact O-CA 3.29Å; Y360-G364 WeakPolarHBondContact O-CA 3.44Å; Y360-G364 PolarHBondContact O-N 3.37Å; G364-R366 PolarHBondContact O-N 2.9Å
365	V	97.4	Very high	97.7	Very high	21 Å²	21	50.7 Å²	50.7	13%	0.127	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-76.8	125.3	179.4	-178.2	0	0	0	0	110.6	Q329 L359 Y363 Y367 E421	Q329-V365 VanDerWaalsContact CD-CG1 3.48Å; Q329-V365 HydrophobicContact CG-CG1 4.42Å; L359-V365 HydrophobicContact CD2-CB 4.34Å; Y363-V365 VanDerWaalsContact C-N 3.28Å; Y363-V365 PolarHBondContact O-N 3.22Å; V365-Y367 HydrophobicContact CG1-CD2 4Å; V365-Y367 HydrophobicContact CG1-CE2 3.7Å; V365-E421 WeakPolarHBondContact CB-OE2 3.4Å; V365-E421 WeakPolarHBondContact CG2-OE2 3.48Å
366	R	97.8	Very high	97.4	Very high	195 Å²	195	52.2 Å²	52.2	74%	0.736	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-88.4	120.5	-177.8	-64.2	-177.6	178.8	-177.9	-0.6	110.1	Q329 Y360 G364	Q329-R366 PolarHBondContact NE2-O 3Å; Q329-R366 VanDerWaalsContact NE2-O 3.11Å; Y360-R366 HydrophobicContact CD2-CG 4.07Å; Y360-R366 HydrophobicContact CE2-CG 3.83Å; G364-R366 PolarHBondContact O-N 2.9Å
367	Y	98.6	Very high	97.1	Very high	12 Å²	12	53.1 Å²	53.1	5%	0.047	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-103.5	137.7	168.2	-82.5	-127.9	0	0	0	109.3	Q329 V356 L359 V365 E399 L400 R401 E421	Q329-Y367 HydrophobicContact CB-CD1 4.19Å; Q329-Y367 HydrophobicContact CB-CD2 3.74Å; Q329-Y367 HydrophobicContact CB-CE1 4.18Å; Q329-Y367 HydrophobicContact CB-CE2 3.75Å; Q329-Y367 HydrophobicContact CB-CG 3.97Å; Q329-Y367 HydrophobicContact CG-CD2 4.26Å; Q329-Y367 HydrophobicContact CG-CE2 3.78Å; Q329-Y367 CarbonylContact O-C 3.58Å; Q329-Y367 WeakPolarHBondContact O-CA 3.43Å; V356-Y367 WeakPolarHBondContact CG1-O 3.08Å; L359-Y367 HydrophobicContact CD1-CD1 3.94Å; L359-Y367 HydrophobicContact CD1-CD2 3.81Å; L359-Y367 HydrophobicContact CD1-CE1 3.89Å; L359-Y367 HydrophobicContact CD1-CE2 3.75Å; L359-Y367 HydrophobicContact CD1-CG 3.91Å; L359-Y367 HydrophobicContact CD2-CD2 3.43Å; L359-Y367 VanDerWaalsContact CD2-CD2 3.43Å; L359-Y367 HydrophobicContact CD2-CE2 3.52Å; L359-Y367 HydrophobicContact CD2-CG 4.23Å; L359-Y367 HydrophobicContact CG-CD2 4.28Å; L359-Y367 HydrophobicContact CG-CE2 4.29Å; V365-Y367 HydrophobicContact CG1-CD2 4Å; V365-Y367 HydrophobicContact CG1-CE2 3.7Å; Y367-E399 WeakPolarHBondContact CE1-O 3.29Å; Y367-L400 HydrophobicContact CE1-CD2 4.46Å; Y367-R401 PolarHBondContact OH-N 2.81Å; Y367-E421 PolarHBondContact OH-OE1 3.46Å
368	R	98.1	Very high	96.9	Very high	143 Å²	143	49.2 Å²	49.2	54%	0.54	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	152.2	164.8	-68.6	173.1	60.2	-153.8	-7.8	108.7	Q329 M330 L331 T375	Q329-R368 PolarHBondContact O-N 3.48Å; M330-R368 CarbonylContact C-O 3.57Å; M330-R368 VanDerWaalsContact CA-O 3.22Å; M330-R368 WeakPolarHBondContact CA-O 3.42Å; M330-R368 VanDerWaalsContact CE-NH1 3.29Å; M330-R368 HydrophobicContact CG-CB 4.31Å; L331-R368 PolarHBondContact N-O 3.25Å; R368-T375 HydrophobicContact CB-CG2 4.18Å; R368-T375 PolarHBondContact NH1-O 3.19Å; R368-T375 PolarHBondContact NH2-O 2.81Å
369	Y	98.5	Very high	96.7	Very high	74 Å²	74	48.5 Å²	48.5	29%	0.29	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.8	172.2	65.6	-84.9	0	0	0	111.2	L331 E349 A352 Q353 V356	L331-Y369 WeakPolarHBondContact O-CA 3.42Å; L331-Y369 VanDerWaalsContact O-CB 3.23Å; L331-Y369 WeakPolarHBondContact O-CB 3.5Å; E349-Y369 VanDerWaalsContact OE1-CE2 3.31Å; E349-Y369 WeakPolarHBondContact OE1-CE2 3.42Å; A352-Y369 HydrophobicContact CB-CD2 3.8Å; A352-Y369 HydrophobicContact CB-CG 4.31Å; Q353-Y369 HydrophobicContact CB-CE2 4Å; Q353-Y369 WeakPolarHBondContact CG-OH 3.33Å; V356-Y369 HydrophobicContact CB-CD1 4.11Å; V356-Y369 HydrophobicContact CG1-CD1 4.27Å; V356-Y369 HydrophobicContact CG2-CD1 3.84Å; V356-Y369 HydrophobicContact CG2-CG 4.17Å
370	G	98.4	Very high	96.6	Very high	3 Å²	3	48.6 Å²	48.6	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153	-173.6	-178.9	0	0	0	0	0	113.2	L331 L332 Y333 A372 T375	L331-G370 PolarHBondContact O-N 3.37Å; L332-G370 WeakPolarHBondContact CA-O 3.36Å; Y333-G370 WeakPolarHBondContact CD1-O 3.48Å; Y333-G370 VanDerWaalsContact CZ-C 3.41Å; Y333-G370 PolarHBondContact N-O 2.56Å; Y333-G370 VanDerWaalsContact N-O 3.1Å; G370-A372 PolarHBondContact O-N 2.65Å; G370-T375 WeakPolarHBondContact CA-OG1 3.23Å
371	P	98.1	Very high	96.6	Very high	30 Å²	30	43.4 Å²	43.4	20%	0.195	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	137	173.1	-18.4	31.5	0	0	0	110.2	Y333 A373 T374 T375	Y333-P371 HydrophobicContact CE2-CB 4.26Å; Y333-P371 HydrophobicContact CE2-CG 3.78Å; Y333-P371 CarbonylContact O-C 3.25Å; Y333-P371 VanDerWaalsContact O-CA 3.31Å; Y333-P371 WeakPolarHBondContact O-CA 3.32Å; Y333-P371 WeakPolarHBondContact OH-CD 3.34Å; P371-A373 VanDerWaalsContact C-N 3.31Å; P371-A373 PolarHBondContact O-N 3.4Å; P371-T374 PolarHBondContact O-N 2.85Å; P371-T374 PolarHBondContact O-OG1 3.08Å; P371-T375 VanDerWaalsContact O-CB 3.25Å; P371-T375 WeakPolarHBondContact O-CB 3.33Å; P371-T375 PolarHBondContact O-N 3.43Å; P371-T375 PolarHBondContact O-OG1 3.47Å
372	A	97.6	Very high	96.6	Very high	4 Å²	4	40 Å²	40	3%	0.033	19%	0.194	C	C	.	.	H	α-helix	trans	-58.9	-41.4	-176.4	0	0	0	0	0	112.6	L332 Y333 S336 G370 T374 T375 L376 Y377 I384	L332-A372 HydrophobicContact CB-CB 4.08Å; L332-A372 HydrophobicContact CD1-CB 4.39Å; Y333-A372 PolarHBondContact O-N 3Å; S336-A372 WeakPolarHBondContact OG-CB 3.37Å; G370-A372 PolarHBondContact O-N 2.65Å; A372-T374 VanDerWaalsContact C-N 3.32Å; A372-T374 PolarHBondContact O-N 3.46Å; A372-T375 PolarHBondContact O-N 2.72Å; A372-L376 PolarHBondContact O-N 2.91Å; A372-Y377 PolarHBondContact O-N 3.26Å; A372-Y377 VanDerWaalsContact O-N 3.17Å; A372-I384 HydrophobicContact CB-CD1 4.3Å
373	A	95.9	Very high	96.7	Very high	3 Å²	3	39 Å²	39	3%	0.025	19%	0.185	C	C	.	.	H	α-helix	trans	-58.5	-39.1	179.7	0	0	0	0	0	113.4	Y335 K338 Y339 P371 Y377 V378	Y335-A373 WeakPolarHBondContact O-CB 3.39Å; Y335-A373 PolarHBondContact O-N 2.9Å; K338-A373 WeakPolarHBondContact O-CB 3.37Å; Y339-A373 HydrophobicContact CD1-CB 3.97Å; Y339-A373 HydrophobicContact CE1-CB 4.03Å; Y339-A373 WeakPolarHBondContact CE1-O 3.24Å; P371-A373 VanDerWaalsContact C-N 3.31Å; P371-A373 PolarHBondContact O-N 3.4Å; A373-Y377 CarbonylContact O-C 3.21Å; A373-V378 HydrophobicContact CB-CG2 4Å
374	T	93.9	Very high	96.7	Very high	86 Å²	86	33.8 Å²	33.8	53%	0.528	16%	0.164	S	C	.	.	H	α-helix	trans	-93.1	-28	-177.6	54	0	0	0	0	113.4	Y339 P371 A372	Y339-T374 HydrophobicContact CD1-CG2 3.69Å; Y339-T374 HydrophobicContact CE1-CG2 4.1Å; P371-T374 PolarHBondContact O-N 2.85Å; P371-T374 PolarHBondContact O-OG1 3.08Å; A372-T374 VanDerWaalsContact C-N 3.32Å; A372-T374 PolarHBondContact O-N 3.46Å
375	T	94.5	Very high	96.7	Very high	12 Å²	12	32 Å²	32	7%	0.074	15%	0.146	C	C	.	.	H	α-helix	trans	-88	-36.3	-174.5	-51.9	0	0	0	0	111.9	M330 L332 R368 G370 P371 A372	M330-T375 HydrophobicContact SD-CG2 4.11Å; L332-T375 HydrophobicContact CD2-CG2 3.67Å; R368-T375 HydrophobicContact CB-CG2 4.18Å; R368-T375 PolarHBondContact NH1-O 3.19Å; R368-T375 PolarHBondContact NH2-O 2.81Å; G370-T375 WeakPolarHBondContact CA-OG1 3.23Å; P371-T375 VanDerWaalsContact O-CB 3.25Å; P371-T375 WeakPolarHBondContact O-CB 3.33Å; P371-T375 PolarHBondContact O-N 3.43Å; P371-T375 PolarHBondContact O-OG1 3.47Å; A372-T375 PolarHBondContact O-N 2.72Å
376	L	92.7	Very high	96.8	Very high	33 Å²	33	31.1 Å²	31.1	17%	0.173	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-77.8	-179.9	-178.3	63.5	0	0	0	110.7	M330 L332 A372	M330-L376 HydrophobicContact SD-CB 4.24Å; M330-L376 HydrophobicContact SD-CD1 4.05Å; L332-L376 HydrophobicContact CD1-CB 3.9Å; L332-L376 HydrophobicContact CD1-CD2 3.68Å; L332-L376 HydrophobicContact CD1-CG 4.38Å; L332-L376 HydrophobicContact CD2-CB 4.27Å; A372-L376 PolarHBondContact O-N 2.91Å
377	Y	92	Very high	96.8	Very high	33 Å²	33	21.9 Å²	21.9	13%	0.129	11%	0.106	C	C	.	.			trans	-176.5	164.4	174.3	46.1	-108.6	0	0	0	110.3	P70 N71 L75 A372 A373	P70-Y377 HydrophobicContact CB-CD1 3.66Å; P70-Y377 HydrophobicContact CB-CE1 3.72Å; N71-Y377 PolarHBondContact ND2-OH 2.83Å; N71-Y377 PolarHBondContact OD1-OH 2.86Å; L75-Y377 HydrophobicContact CD1-CD1 4.42Å; L75-Y377 HydrophobicContact CD1-CD2 3.56Å; L75-Y377 HydrophobicContact CD1-CE2 3.85Å; L75-Y377 HydrophobicContact CD1-CG 3.87Å; A372-Y377 PolarHBondContact O-N 3.26Å; A372-Y377 VanDerWaalsContact O-N 3.17Å; A373-Y377 CarbonylContact O-C 3.21Å
378	V	93.6	Very high	96.8	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.024	11%	0.109	C	C	.	.			trans	-66.2	133.6	174.8	173.6	0	0	0	0	111	E282 S336 Y339 A373	E282-V378 HydrophobicContact CB-CG1 3.98Å; E282-V378 HydrophobicContact CG-CB 4.47Å; E282-V378 HydrophobicContact CG-CG1 3.86Å; S336-V378 WeakPolarHBondContact O-CA 3.22Å; Y339-V378 HydrophobicContact CD2-CG2 4.29Å; Y339-V378 HydrophobicContact CE1-CG2 3.88Å; Y339-V378 HydrophobicContact CE2-CG2 3.5Å; Y339-V378 VanDerWaalsContact OH-CG2 3.26Å; Y339-V378 WeakPolarHBondContact OH-CG2 3.44Å; A373-V378 HydrophobicContact CB-CG2 4Å
379	S	95.3	Very high	96.8	Very high	9 Å²	9	23.3 Å²	23.3	6%	0.063	11%	0.111	C	C	.	.			trans	-151.6	134.1	171.7	68	0	0	0	0	113	R273 E282 S336 Y337	R273-S379 VanDerWaalsContact CZ-CB 3.41Å; E282-S379 CarbonylContact O-C 3.57Å; S336-S379 CarbonylContact C-O 3.57Å; S336-S379 WeakPolarHBondContact CB-O 3.22Å; S336-S379 PolarHBondContact O-N 2.79Å; Y337-S379 VanDerWaalsContact CA-O 3.29Å; Y337-S379 WeakPolarHBondContact CA-O 3.33Å; Y337-S379 PolarHBondContact N-O 3.21Å
380	S	96.8	Very high	96.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	11%	0.112	C	C	.	.	S	Bend	trans	-88.5	157.2	178.7	84.6	0	0	0	0	112.5	R273 K278 C280 D281 E282 A284 S382	R273-S380 WeakPolarHBondContact CD-O 3.48Å; K278-S380 WeakPolarHBondContact O-CB 3.48Å; C280-S380 PolarHBondContact N-OG 3.21Å; D281-S380 VanDerWaalsContact C-OG 3.32Å; D281-S380 PolarHBondContact N-OG 2.95Å; D281-S380 PolarHBondContact O-OG 3.44Å; E282-S380 VanDerWaalsContact O-CB 3.23Å; E282-S380 WeakPolarHBondContact O-CB 3.48Å; E282-S380 PolarHBondContact O-N 3.33Å; E282-S380 PolarHBondContact O-OG 3.34Å; A284-S380 WeakPolarHBondContact CB-OG 3.47Å; S380-S382 PolarHBondContact O-N 3.33Å
381	G	98	Very high	96.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	67.2	25.1	175	0	0	0	0	0	116.6	N272 R273 N274 W275 V277 K278	N272-G381 CarbonylContact C-O 3.57Å; R273-G381 CarbonylContact C-O 3.59Å; R273-G381 VanDerWaalsContact C-O 3.25Å; R273-G381 WeakPolarHBondContact CA-O 3.33Å; N274-G381 PolarHBondContact N-O 3.43Å; W275-G381 WeakPolarHBondContact CB-O 3.31Å; W275-G381 VanDerWaalsContact CD1-O 3.27Å; W275-G381 PolarHBondContact N-O 3.26Å; W275-G381 VanDerWaalsContact N-O 3.07Å; V277-G381 VanDerWaalsContact O-CA 3.3Å; V277-G381 WeakPolarHBondContact O-CA 3.43Å; V277-G381 PolarHBondContact O-N 3.47Å; V277-G381 VanDerWaalsContact O-N 3.1Å; K278-G381 PolarHBondContact O-N 3.17Å
382	S	98.4	Very high	96.5	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.014	13%	0.128	C	C	.	.			trans	-78.3	152	-178.9	83.7	0	0	0	0	113.7	N272 V277 S336 S380 D385 W386	N272-S382 WeakPolarHBondContact OD1-CA 3.37Å; V277-S382 WeakPolarHBondContact CG1-O 3.46Å; S336-S382 PolarHBondContact OG-OG 2.94Å; S380-S382 PolarHBondContact O-N 3.33Å; S382-D385 VanDerWaalsContact OG-CB 3.32Å; S382-D385 WeakPolarHBondContact OG-CB 3.34Å; S382-D385 PolarHBondContact OG-N 3.23Å; S382-D385 PolarHBondContact OG-OD2 3.04Å; S382-W386 PolarHBondContact O-N 2.87Å; S382-W386 VanDerWaalsContact O-N 3.16Å
383	S	98.8	Very high	96.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-66.9	-40.9	-179.9	66.8	0	0	0	0	112.9	N272 Y321 W386 A387	N272-S383 PolarHBondContact OD1-N 2.78Å; N272-S383 PolarHBondContact OD1-OG 3.32Å; Y321-S383 WeakPolarHBondContact CE1-OG 3.46Å; Y321-S383 WeakPolarHBondContact OH-CB 3.47Å; Y321-S383 PolarHBondContact OH-OG 2.79Å; S383-W386 PolarHBondContact O-N 3.28Å; S383-A387 WeakPolarHBondContact O-CB 3.19Å; S383-A387 PolarHBondContact O-N 3.1Å
384	I	98.6	Very high	96.5	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-66.7	-39	-179.5	63.5	173.6	0	0	0	111.9	Y321 P334 A372 W386 A387 Y388 A395 F396 A397	Y321-I384 HydrophobicContact CD1-CG2 4.02Å; Y321-I384 HydrophobicContact CE1-CG2 3.82Å; P334-I384 HydrophobicContact CG-CB 4.23Å; P334-I384 HydrophobicContact CG-CD1 4.45Å; P334-I384 HydrophobicContact CG-CG1 4.24Å; P334-I384 WeakPolarHBondContact CG-O 3.45Å; A372-I384 HydrophobicContact CB-CD1 4.3Å; I384-W386 VanDerWaalsContact C-N 3.33Å; I384-A387 PolarHBondContact O-N 3.31Å; I384-Y388 WeakPolarHBondContact O-CB 3.29Å; I384-Y388 PolarHBondContact O-N 3.34Å; I384-A395 HydrophobicContact CB-CB 4.2Å; I384-A395 WeakPolarHBondContact O-CB 3.39Å; I384-F396 WeakPolarHBondContact CG2-O 3.33Å; I384-A397 HydrophobicContact CD1-CB 4.1Å; I384-A397 HydrophobicContact CG2-CB 3.92Å
385	D	98.7	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-39.5	175.1	-73.5	-38	0	0	0	111	V277 P334 Y335 S336 Y337 S382 R389	V277-D385 HydrophobicContact CG1-CB 3.86Å; V277-D385 HydrophobicContact CG2-CB 4Å; P334-D385 WeakPolarHBondContact CB-OD1 3.45Å; Y335-D385 VanDerWaalsContact CA-OD1 3.24Å; Y335-D385 WeakPolarHBondContact CA-OD1 3.42Å; Y335-D385 WeakPolarHBondContact CD1-OD1 3.23Å; S336-D385 WeakPolarHBondContact CA-OD2 3.33Å; S336-D385 WeakPolarHBondContact CB-OD2 3.43Å; S336-D385 PolarHBondContact N-OD1 3.18Å; S336-D385 PolarHBondContact N-OD2 2.91Å; S336-D385 VanDerWaalsContact N-OD2 3.1Å; S336-D385 PolarHBondContact OG-OD2 3.24Å; Y337-D385 HydrophobicContact CD1-CB 3.79Å; Y337-D385 VanDerWaalsContact CD1-CG 3.46Å; Y337-D385 VanDerWaalsContact CD1-OD2 3.29Å; Y337-D385 WeakPolarHBondContact CD1-OD2 3.48Å; Y337-D385 HydrophobicContact CE1-CB 3.95Å; Y337-D385 PolarHBondContact N-OD2 3.43Å; S382-D385 VanDerWaalsContact OG-CB 3.32Å; S382-D385 WeakPolarHBondContact OG-CB 3.34Å; S382-D385 PolarHBondContact OG-N 3.23Å; S382-D385 PolarHBondContact OG-OD2 3.04Å; D385-R389 VanDerWaalsContact O-CB 3.24Å; D385-R389 WeakPolarHBondContact O-CB 3.17Å; D385-R389 PolarHBondContact O-N 3.07Å
386	W	98.7	Very high	96.9	Very high	3 Å²	3	22 Å²	22	1%	0.011	12%	0.115	C	C	.	.	H	α-helix	trans	-66.7	-46.1	178.2	178	98.4	0	0	0	110.4	W275 V277 E299 A308 L311 R312 S382 S383 I384 Y388 R389 N390	W275-W386 HydrophobicContact CB-CB 3.79Å; W275-W386 HydrophobicContact CB-CG 4.06Å; W275-W386 HydrophobicContact CD2-CB 4.37Å; W275-W386 HydrophobicContact CD2-CG 4.39Å; W275-W386 HydrophobicContact CE3-CB 4.04Å; W275-W386 AromaticContact CE3-CD2 3.48Å; W275-W386 HydrophobicContact CE3-CD2 3.48Å; W275-W386 VanDerWaalsContact CE3-CD2 3.48Å; W275-W386 AromaticContact CE3-CE3 3.64Å; W275-W386 HydrophobicContact CE3-CE3 3.64Å; W275-W386 AromaticContact CE3-CG 3.66Å; W275-W386 HydrophobicContact CE3-CG 3.66Å; W275-W386 HydrophobicContact CE3-CZ3 4.36Å; W275-W386 HydrophobicContact CG-CB 4.31Å; W275-W386 AromaticContact CZ3-CD2 3.86Å; W275-W386 HydrophobicContact CZ3-CD2 3.86Å; W275-W386 AromaticContact CZ3-CE3 3.55Å; W275-W386 HydrophobicContact CZ3-CE3 3.55Å; W275-W386 HydrophobicContact CZ3-CG 4.48Å; W275-W386 HydrophobicContact CZ3-CH2 4.39Å; W275-W386 AromaticContact CZ3-CZ3 3.87Å; W275-W386 HydrophobicContact CZ3-CZ3 3.87Å; V277-W386 HydrophobicContact CB-CB 4.18Å; V277-W386 HydrophobicContact CG1-CB 3.71Å; E299-W386 PolarHBondContact OE1-NE1 2.81Å; A308-W386 HydrophobicContact CB-CH2 4.01Å; A308-W386 HydrophobicContact CB-CZ2 3.66Å; A308-W386 WeakPolarHBondContact O-CH2 3.46Å; L311-W386 HydrophobicContact CB-CH2 3.77Å; L311-W386 HydrophobicContact CB-CZ3 3.74Å; L311-W386 HydrophobicContact CD1-CE3 4.48Å; L311-W386 HydrophobicContact CD1-CH2 4.39Å; L311-W386 HydrophobicContact CD1-CZ3 3.63Å; L311-W386 HydrophobicContact CG-CZ3 4.34Å; R312-W386 HydrophobicContact CG-CH2 4.04Å; R312-W386 HydrophobicContact CG-CZ2 3.9Å; S382-W386 PolarHBondContact O-N 2.87Å; S382-W386 VanDerWaalsContact O-N 3.16Å; S383-W386 PolarHBondContact O-N 3.28Å; I384-W386 VanDerWaalsContact C-N 3.33Å; W386-Y388 VanDerWaalsContact C-N 3.33Å; W386-Y388 PolarHBondContact O-N 3.45Å; W386-R389 PolarHBondContact O-N 3.2Å; W386-N390 VanDerWaalsContact CE2-ND2 3.3Å; W386-N390 PolarHBondContact NE1-ND2 3.45Å; W386-N390 WeakPolarHBondContact O-CB 3.33Å; W386-N390 PolarHBondContact O-N 3.3Å; W386-N390 PolarHBondContact O-ND2 3.38Å
387	A	98.6	Very high	97.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.3	-47.7	178.5	0	0	0	0	0	110.7	Y321 S383 I384 N390 G391 I392 A395	Y321-A387 HydrophobicContact CD1-CB 3.78Å; Y321-A387 HydrophobicContact CD2-CB 4.04Å; Y321-A387 HydrophobicContact CE1-CB 4.43Å; Y321-A387 HydrophobicContact CG-CB 3.57Å; S383-A387 WeakPolarHBondContact O-CB 3.19Å; S383-A387 PolarHBondContact O-N 3.1Å; I384-A387 PolarHBondContact O-N 3.31Å; A387-N390 CarbonylContact O-C 3.44Å; A387-N390 PolarHBondContact O-N 3.5Å; A387-G391 PolarHBondContact O-N 2.89Å; A387-I392 HydrophobicContact CB-CB 4.44Å; A387-I392 HydrophobicContact CB-CD1 4.02Å; A387-I392 WeakPolarHBondContact O-CB 3.48Å; A387-I392 PolarHBondContact O-N 2.91Å; A387-I392 VanDerWaalsContact O-N 3.08Å; A387-A395 HydrophobicContact CB-CB 4.27Å
388	Y	98	Very high	97.6	Very high	28 Å²	28	19.2 Å²	19.2	11%	0.11	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-48.7	178.3	-170.8	-98.2	0	0	0	112.4	P334 Y335 I342 P343 N344 I384 W386 N390 G391 I392	P334-Y388 HydrophobicContact CB-CD1 4.41Å; P334-Y388 HydrophobicContact CB-CG 4.25Å; P334-Y388 HydrophobicContact CG-CD2 4.47Å; P334-Y388 HydrophobicContact CG-CG 4.08Å; Y335-Y388 HydrophobicContact CE1-CD1 4.07Å; Y335-Y388 HydrophobicContact CE1-CE1 4.45Å; I342-Y388 HydrophobicContact CB-CE1 4.15Å; I342-Y388 HydrophobicContact CG2-CD1 4.43Å; I342-Y388 HydrophobicContact CG2-CE1 3.89Å; P343-Y388 VanDerWaalsContact CD-OH 3.25Å; P343-Y388 WeakPolarHBondContact CD-OH 3.42Å; N344-Y388 VanDerWaalsContact OD1-CE2 3.23Å; N344-Y388 WeakPolarHBondContact OD1-CE2 3.26Å; N344-Y388 VanDerWaalsContact OD1-CZ 3.31Å; N344-Y388 PolarHBondContact OD1-OH 3.17Å; I384-Y388 WeakPolarHBondContact O-CB 3.29Å; I384-Y388 PolarHBondContact O-N 3.34Å; W386-Y388 VanDerWaalsContact C-N 3.33Å; W386-Y388 PolarHBondContact O-N 3.45Å; Y388-N390 PolarHBondContact O-N 2.91Å; Y388-G391 PolarHBondContact O-N 3.12Å; Y388-I392 WeakPolarHBondContact CA-O 3.17Å
389	R	97.2	Very high	97.8	Very high	158 Å²	158	20 Å²	20	60%	0.596	11%	0.107	S	C	*	.	H	α-helix	trans	-62	-26.7	176.7	-171.7	177.1	-178.7	-158.2	3.6	112.9	D385 W386 G391	D385-R389 VanDerWaalsContact O-CB 3.24Å; D385-R389 WeakPolarHBondContact O-CB 3.17Å; D385-R389 PolarHBondContact O-N 3.07Å; W386-R389 PolarHBondContact O-N 3.2Å; R389-G391 VanDerWaalsContact C-N 3.29Å
390	N	96.9	Very high	98	Very high	56 Å²	56	19.6 Å²	19.6	30%	0.299	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	14.5	176.8	-76.6	-90.1	0	0	0	113.6	W386 A387 Y388	W386-N390 VanDerWaalsContact CE2-ND2 3.3Å; W386-N390 PolarHBondContact NE1-ND2 3.45Å; W386-N390 WeakPolarHBondContact O-CB 3.33Å; W386-N390 PolarHBondContact O-N 3.3Å; W386-N390 PolarHBondContact O-ND2 3.38Å; A387-N390 CarbonylContact O-C 3.44Å; A387-N390 PolarHBondContact O-N 3.5Å; Y388-N390 PolarHBondContact O-N 2.91Å
391	G	94.9	Very high	98.1	Very high	53 Å²	53	21 Å²	21	55%	0.546	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	15.8	168.3	0	0	0	0	0	115.2	A387 Y388 R389 P393	A387-G391 PolarHBondContact O-N 2.89Å; Y388-G391 PolarHBondContact O-N 3.12Å; R389-G391 VanDerWaalsContact C-N 3.29Å; G391-P393 WeakPolarHBondContact O-CD 3.47Å
392	I	97.5	Very high	98	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.015	11%	0.113	C	C	.	.			trans	-88.1	108.7	169.8	-57.6	173.5	0	0	0	108	L311 M318 A387 Y388 Y394	L311-I392 HydrophobicContact CD2-CD1 4.45Å; M318-I392 HydrophobicContact CB-CD1 4.25Å; M318-I392 HydrophobicContact CB-CG1 4.22Å; M318-I392 HydrophobicContact CG-CD1 3.62Å; M318-I392 HydrophobicContact CG-CG1 4Å; M318-I392 HydrophobicContact CG-CG2 4.41Å; A387-I392 HydrophobicContact CB-CB 4.44Å; A387-I392 HydrophobicContact CB-CD1 4.02Å; A387-I392 WeakPolarHBondContact O-CB 3.48Å; A387-I392 PolarHBondContact O-N 2.91Å; A387-I392 VanDerWaalsContact O-N 3.08Å; Y388-I392 WeakPolarHBondContact CA-O 3.17Å; I392-Y394 VanDerWaalsContact C-N 3.33Å; I392-Y394 PolarHBondContact O-N 2.84Å
393	P	95.8	Very high	97.9	Very high	42 Å²	42	25 Å²	25	27%	0.273	13%	0.133	S	C	.	.	S	Bend	trans	-72.2	-21.6	-166.4	26.2	-34.3	0	0	0	114.8	K319 N344 G391	K319-P393 WeakPolarHBondContact O-CD 3.13Å; K319-P393 WeakPolarHBondContact O-CG 3.19Å; N344-P393 PolarHBondContact ND2-O 2.83Å; G391-P393 WeakPolarHBondContact O-CD 3.47Å
394	Y	98.1	Very high	97.6	Very high	30 Å²	30	25 Å²	25	12%	0.118	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	100.4	177.6	-63.3	-84.8	0	0	0	109.3	K319 A320 Y321 C347 V348 A351 I392 F396 L433 C437	K319-Y394 WeakPolarHBondContact O-CD2 3.48Å; K319-Y394 PolarHBondContact O-N 3.2Å; A320-Y394 CarbonylContact C-O 3.48Å; A320-Y394 WeakPolarHBondContact CA-O 3.48Å; Y321-Y394 PolarHBondContact N-O 3.39Å; C347-Y394 HydrophobicContact CB-CE1 4.04Å; V348-Y394 HydrophobicContact CG2-CD1 4.05Å; V348-Y394 HydrophobicContact CG2-CE1 4.33Å; A351-Y394 HydrophobicContact CB-CD1 4.39Å; A351-Y394 HydrophobicContact CB-CE1 4.34Å; I392-Y394 VanDerWaalsContact C-N 3.33Å; I392-Y394 PolarHBondContact O-N 2.84Å; Y394-F396 HydrophobicContact CD1-CE2 4.27Å; Y394-F396 HydrophobicContact CD1-CZ 4.44Å; Y394-L433 HydrophobicContact CD2-CD2 3.31Å; Y394-L433 HydrophobicContact CE2-CD2 3.7Å; Y394-L433 HydrophobicContact CG-CD2 3.84Å; Y394-C437 VanDerWaalsContact OH-CB 3.25Å; Y394-C437 WeakPolarHBondContact OH-CB 3.35Å
395	A	98.5	Very high	97.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125	177.3	0	0	0	0	0	109.2	Y321 Y333 P334 I384 A387	Y321-A395 CarbonylContact O-C 3.56Å; Y321-A395 WeakPolarHBondContact O-CA 3.33Å; Y333-A395 WeakPolarHBondContact CB-O 3.44Å; P334-A395 WeakPolarHBondContact CD-O 3.23Å; P334-A395 HydrophobicContact CG-CB 4.05Å; I384-A395 HydrophobicContact CB-CB 4.2Å; I384-A395 WeakPolarHBondContact O-CB 3.39Å; A387-A395 HydrophobicContact CB-CB 4.27Å
396	F	98.9	Very high	97.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.8	-177.4	-63.2	-75.8	0	0	0	111.6	Y321 I322 S323 L331 L332 Y333 V348 A351 A352 I384 Y394 I429	Y321-F396 PolarHBondContact O-N 3.4Å; I322-F396 VanDerWaalsContact CA-O 3.31Å; I322-F396 WeakPolarHBondContact CA-O 3.29Å; I322-F396 HydrophobicContact CG1-CB 4.33Å; S323-F396 PolarHBondContact N-O 2.97Å; L331-F396 HydrophobicContact CD1-CB 3.87Å; L331-F396 HydrophobicContact CD1-CD1 3.95Å; L331-F396 HydrophobicContact CD1-CG 4.16Å; L331-F396 HydrophobicContact CG-CD1 4.3Å; L332-F396 CarbonylContact O-C 3.56Å; L332-F396 WeakPolarHBondContact O-CA 3.2Å; Y333-F396 HydrophobicContact CD1-CD1 4.49Å; Y333-F396 HydrophobicContact CD1-CE1 4.18Å; Y333-F396 HydrophobicContact CG-CE1 4.4Å; V348-F396 HydrophobicContact CG1-CE1 3.68Å; V348-F396 HydrophobicContact CG1-CZ 3.82Å; A351-F396 HydrophobicContact CB-CZ 4.01Å; A352-F396 HydrophobicContact CB-CE1 4.04Å; I384-F396 WeakPolarHBondContact CG2-O 3.33Å; Y394-F396 HydrophobicContact CD1-CE2 4.27Å; Y394-F396 HydrophobicContact CD1-CZ 4.44Å; F396-I429 HydrophobicContact CD2-CD1 3.96Å; F396-I429 HydrophobicContact CD2-CG2 4.3Å; F396-I429 HydrophobicContact CE2-CD1 4.18Å; F396-I429 HydrophobicContact CE2-CG1 4.44Å; F396-I429 HydrophobicContact CE2-CG2 4.03Å; F396-I429 HydrophobicContact CG-CD1 4.38Å
397	A	98.9	Very high	96.9	Very high	5 Å²	5	32.2 Å²	32.2	4%	0.041	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.1	164.2	0	0	0	0	0	109.2	S323 L332 I384	S323-A397 CarbonylContact O-C 3.55Å; S323-A397 VanDerWaalsContact O-CA 3.24Å; S323-A397 WeakPolarHBondContact O-CA 3.41Å; L332-A397 HydrophobicContact CB-CB 4.31Å; L332-A397 PolarHBondContact N-O 2.78Å; L332-A397 PolarHBondContact O-N 3.33Å; I384-A397 HydrophobicContact CD1-CB 4.1Å; I384-A397 HydrophobicContact CG2-CB 3.92Å
398	F	98.9	Very high	96.9	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.4	170.3	-79.9	-100.9	0	0	0	109	I322 S323 I324 H325 M330 L331 L400 T422 A425 V426 I429	I322-F398 HydrophobicContact CD1-CE2 4.06Å; I322-F398 HydrophobicContact CG2-CD2 3.68Å; I322-F398 HydrophobicContact CG2-CE2 3.99Å; S323-F398 PolarHBondContact O-N 3.06Å; I324-F398 HydrophobicContact CD1-CB 3.87Å; I324-F398 HydrophobicContact CD1-CD2 3.8Å; I324-F398 HydrophobicContact CD1-CG 4.01Å; H325-F398 CarbonylContact C-O 3.46Å; H325-F398 VanDerWaalsContact CA-O 3.27Å; H325-F398 WeakPolarHBondContact CA-O 3.38Å; H325-F398 VanDerWaalsContact CB-O 3.28Å; H325-F398 WeakPolarHBondContact CB-O 3.08Å; H325-F398 PolarHBondContact N-O 3.02Å; H325-F398 VanDerWaalsContact O-O 3.1Å; M330-F398 CarbonylContact O-C 3.5Å; M330-F398 WeakPolarHBondContact O-CA 3.43Å; L331-F398 HydrophobicContact CD1-CD1 4.12Å; L331-F398 HydrophobicContact CD1-CD2 3.67Å; L331-F398 HydrophobicContact CD1-CE1 3.86Å; L331-F398 HydrophobicContact CD1-CE2 3.36Å; L331-F398 HydrophobicContact CD1-CG 4.04Å; L331-F398 HydrophobicContact CD1-CZ 3.48Å; L331-F398 VanDerWaalsContact CD1-CZ 3.48Å; L331-F398 HydrophobicContact CD2-CE1 4.36Å; L331-F398 HydrophobicContact CD2-CZ 4.07Å; L331-F398 HydrophobicContact CG-CE1 4.48Å; L331-F398 HydrophobicContact CG-CZ 4.32Å; F398-L400 HydrophobicContact CB-CD2 3.88Å; F398-L400 HydrophobicContact CD1-CD2 4.19Å; F398-L400 HydrophobicContact CG-CD2 4.41Å; F398-T422 HydrophobicContact CD1-CG2 4.27Å; F398-T422 HydrophobicContact CE1-CG2 4.41Å; F398-A425 HydrophobicContact CE1-CB 3.74Å; F398-A425 HydrophobicContact CZ-CB 3.79Å; F398-V426 HydrophobicContact CE2-CG2 4.43Å; F398-V426 HydrophobicContact CZ-CG2 4.47Å; F398-I429 HydrophobicContact CE2-CD1 4.04Å; F398-I429 HydrophobicContact CZ-CD1 4.03Å
399	E	98.8	Very high	96.8	Very high	22 Å²	22	31.6 Å²	31.6	10%	0.103	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	102.9	160.4	-60.6	-64.6	167.7	0	0	106.8	H325 A326 A328 Q329 M330 L332 Y367	H325-E399 VanDerWaalsContact CB-OE2 3.23Å; H325-E399 WeakPolarHBondContact CB-OE2 3.26Å; A326-E399 PolarHBondContact N-OE2 3Å; A328-E399 HydrophobicContact CB-CB 3.87Å; A328-E399 HydrophobicContact CB-CG 4.41Å; Q329-E399 CarbonylContact C-O 3.45Å; Q329-E399 WeakPolarHBondContact CA-O 3.25Å; Q329-E399 PolarHBondContact N-O 2.85Å; M330-E399 HydrophobicContact CB-CB 4.04Å; M330-E399 HydrophobicContact CB-CG 4.25Å; M330-E399 PolarHBondContact N-O 3.17Å; M330-E399 PolarHBondContact O-N 2.04Å; L332-E399 HydrophobicContact CD1-CG 4.07Å; Y367-E399 WeakPolarHBondContact CE1-O 3.29Å
400	L	98.8	Very high	96.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-171	-174.2	-62.2	-171.9	0	0	0	112.7	I202 F206 I324 H325 A326 Y327 A328 Q329 Y367 F398 T418 T422	I202-L400 HydrophobicContact CG1-CD1 4.11Å; I202-L400 HydrophobicContact CG2-CB 4.21Å; I202-L400 HydrophobicContact CG2-CD1 4.32Å; F206-L400 HydrophobicContact CB-CD1 4.19Å; I324-L400 HydrophobicContact CG2-CD1 3.53Å; I324-L400 HydrophobicContact CG2-CG 3.92Å; H325-L400 WeakPolarHBondContact O-CB 3.3Å; H325-L400 WeakPolarHBondContact O-CG 3.23Å; H325-L400 PolarHBondContact O-N 3.48Å; A326-L400 HydrophobicContact CB-CB 4.32Å; Y327-L400 WeakPolarHBondContact CA-O 3.12Å; A328-L400 PolarHBondContact N-O 3.37Å; Q329-L400 PolarHBondContact N-O 2.91Å; Q329-L400 VanDerWaalsContact N-O 3.09Å; Y367-L400 HydrophobicContact CE1-CD2 4.46Å; F398-L400 HydrophobicContact CB-CD2 3.88Å; F398-L400 HydrophobicContact CD1-CD2 4.19Å; F398-L400 HydrophobicContact CG-CD2 4.41Å; L400-T418 HydrophobicContact CB-CG2 4.19Å; L400-T418 HydrophobicContact CD1-CG2 4.2Å; L400-T422 HydrophobicContact CD2-CG2 3.76Å; L400-T422 VanDerWaalsContact CD2-OG1 3.31Å; L400-T422 WeakPolarHBondContact CD2-OG1 3.47Å
401	R	98.5	Very high	96.7	Very high	30 Å²	30	23 Å²	23	11%	0.113	13%	0.132	C	C	.	.	S	Bend	trans	-57.7	153.6	175.1	-66.3	-160.6	-169.3	-175.9	5.5	111.9	Q329 Y367 L410 T418 E421	Q329-R401 HydrophobicContact CG-CG 4.36Å; Y367-R401 PolarHBondContact OH-N 2.81Å; R401-L410 HydrophobicContact CB-CD1 4.17Å; R401-L410 HydrophobicContact CB-CD2 4Å; R401-T418 HydrophobicContact CB-CG2 4.19Å; R401-T418 WeakPolarHBondContact CD-OG1 3.32Å; R401-T418 HydrophobicContact CG-CG2 4.08Å; R401-E421 WeakPolarHBondContact CG-OE1 2.98Å; R401-E421 IonicContact CZ-OE1 3.91Å; R401-E421 IonicContact CZ-OE2 2.8Å; R401-E421 IonicContact NE-OE1 2.79Å; R401-E421 PolarHBondContact NE-OE1 3.22Å; R401-E421 IonicContact NE-OE2 3.31Å; R401-E421 PolarHBondContact NE-OE2 2.84Å; R401-E421 IonicContact NH2-OE1 3.83Å; R401-E421 IonicContact NH2-OE2 3.95Å; R401-E421 PolarHBondContact NH2-OE2 2.91Å
402	D	97.1	Very high	96.7	Very high	15 Å²	15	22.1 Å²	22.1	8%	0.08	11%	0.114	C	C	.	.			cis	-104.6	-151.2	-5.3	65.1	3	0	0	0	111	Y327 A328 G404 H405 F406 G407 L410	Y327-D402 WeakPolarHBondContact CD2-O 3.49Å; A328-D402 WeakPolarHBondContact CA-O 3.28Å; A328-D402 PolarHBondContact N-O 3.1Å; D402-G404 VanDerWaalsContact C-N 3.35Å; D402-G404 VanDerWaalsContact OD1-CA 3.29Å; D402-G404 WeakPolarHBondContact OD1-CA 3.05Å; D402-G404 PolarHBondContact OD1-N 3.32Å; D402-H405 PolarHBondContact OD1-N 3.22Å; D402-H405 WeakPolarHBondContact OD2-CA 3.12Å; D402-H405 WeakPolarHBondContact OD2-CB 3.49Å; D402-H405 PolarHBondContact OD2-N 3.13Å; D402-H405 VanDerWaalsContact OD2-N 3.08Å; D402-F406 WeakPolarHBondContact OD2-CD2 3.38Å; D402-F406 PolarHBondContact OD2-N 2.94Å; D402-G407 WeakPolarHBondContact OD1-CA 3.44Å; D402-G407 PolarHBondContact OD1-N 2.75Å; D402-L410 HydrophobicContact CB-CD1 4.04Å
403	T	95.2	Very high	96.5	Very high	72 Å²	72	26.6 Å²	26.6	44%	0.442	15%	0.145	S	C	.	.	S	Bend	trans	-102	30	172.7	62.5	0	0	0	0	111.4	R44 Q329	R44-T403 VanDerWaalsContact CZ-O 3.28Å; R44-T403 PolarHBondContact NH1-O 3.21Å; R44-T403 PolarHBondContact NH2-O 3.37Å; Q329-T403 HydrophobicContact CB-CG2 4.32Å; Q329-T403 HydrophobicContact CG-CG2 4.06Å
404	G	92.2	Very high	96.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.01	14%	0.143	C	C	.	.	S	Bend	trans	91.3	19.9	174.8	0	0	0	0	0	116.5	L108 D402	L108-G404 WeakPolarHBondContact CD1-O 3.05Å; D402-G404 VanDerWaalsContact C-N 3.35Å; D402-G404 VanDerWaalsContact OD1-CA 3.29Å; D402-G404 WeakPolarHBondContact OD1-CA 3.05Å; D402-G404 PolarHBondContact OD1-N 3.32Å
405	H	92.3	Very high	96.6	Very high	108 Å²	108	25.3 Å²	25.3	50%	0.5	14%	0.138	S	C	.	.	S	Bend	trans	-72	-48.5	169.9	175.6	55	0	0	0	110.1	D402	D402-H405 PolarHBondContact OD1-N 3.22Å; D402-H405 WeakPolarHBondContact OD2-CA 3.12Å; D402-H405 WeakPolarHBondContact OD2-CB 3.49Å; D402-H405 PolarHBondContact OD2-N 3.13Å; D402-H405 VanDerWaalsContact OD2-N 3.08Å
406	F	94.6	Very high	96.6	Very high	50 Å²	50	29.2 Å²	29.2	22%	0.219	15%	0.154	C	C	.	.	S	Bend	trans	-99.4	-28.4	168.8	-56.4	-70.8	0	0	0	112	D402 F408 L409 L410 P411 L414	D402-F406 WeakPolarHBondContact OD2-CD2 3.38Å; D402-F406 PolarHBondContact OD2-N 2.94Å; F406-F408 PolarHBondContact O-N 2.94Å; F406-L409 PolarHBondContact O-N 3.18Å; F406-L410 HydrophobicContact CD2-CD1 4.23Å; F406-P411 HydrophobicContact CD1-CG 3.84Å; F406-P411 HydrophobicContact CD2-CG 4.15Å; F406-P411 HydrophobicContact CE1-CG 3.68Å; F406-P411 HydrophobicContact CE2-CG 3.98Å; F406-P411 VanDerWaalsContact CG-CD 3.46Å; F406-P411 HydrophobicContact CG-CG 4.07Å; F406-P411 HydrophobicContact CZ-CG 3.76Å; F406-L414 HydrophobicContact CD2-CD1 4.25Å; F406-L414 HydrophobicContact CE2-CD1 3.99Å
407	G	95.8	Very high	96.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	56.5	-118.9	-175.6	0	0	0	0	0	111.3	Y327 D402 L409	Y327-G407 VanDerWaalsContact CE1-CA 3.5Å; D402-G407 WeakPolarHBondContact OD1-CA 3.44Å; D402-G407 PolarHBondContact OD1-N 2.75Å; G407-L409 PolarHBondContact O-N 3Å
408	F	97.2	Very high	96.6	Very high	10 Å²	10	30 Å²	30	4%	0.044	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-74.3	-9.8	-180	-53	-58.8	0	0	0	114.5	W68 R199 E200 R252 F253 A326 Y327 F406	W68-F408 HydrophobicContact CB-CE2 3.8Å; W68-F408 HydrophobicContact CB-CZ 4.36Å; W68-F408 AromaticContact CD1-CE2 3.67Å; W68-F408 AromaticContact CD2-CD2 3.54Å; W68-F408 HydrophobicContact CD2-CD2 3.54Å; W68-F408 AromaticContact CD2-CE2 3.52Å; W68-F408 HydrophobicContact CD2-CE2 3.52Å; W68-F408 AromaticContact CE2-CD2 3.59Å; W68-F408 AromaticContact CE2-CE2 3.88Å; W68-F408 AromaticContact CE3-CD2 3.86Å; W68-F408 HydrophobicContact CE3-CD2 3.86Å; W68-F408 HydrophobicContact CE3-CE2 4.07Å; W68-F408 AromaticContact CG-CD2 3.95Å; W68-F408 HydrophobicContact CG-CD2 3.95Å; W68-F408 AromaticContact CG-CE2 3.4Å; W68-F408 HydrophobicContact CG-CE2 3.4Å; W68-F408 HydrophobicContact CG-CZ 4.39Å; W68-F408 HydrophobicContact CH2-CD2 4.28Å; W68-F408 AromaticContact CZ2-CD2 4Å; W68-F408 HydrophobicContact CZ2-CD2 4Å; W68-F408 HydrophobicContact CZ3-CD2 4.22Å; W68-F408 AromaticContact NE1-CD2 3.94Å; W68-F408 AromaticContact NE1-CE2 3.91Å; R199-F408 HydrophobicContact CG-CD1 4.06Å; R199-F408 HydrophobicContact CG-CD2 4.26Å; R199-F408 HydrophobicContact CG-CE1 4.32Å; R199-F408 HydrophobicContact CG-CG 4.04Å; R199-F408 VanDerWaalsContact CZ-CE2 3.45Å; R199-F408 VanDerWaalsContact NE-CE2 3.25Å; R199-F408 VanDerWaalsContact NE-CZ 3.35Å; E200-F408 HydrophobicContact CG-CD1 3.97Å; E200-F408 HydrophobicContact CG-CE1 3.98Å; R252-F408 PolarHBondContact NH2-O 2.83Å; F253-F408 HydrophobicContact CD1-CD2 4.38Å; F253-F408 HydrophobicContact CE1-CB 4.44Å; A326-F408 VanDerWaalsContact O-CE1 3.28Å; A326-F408 WeakPolarHBondContact O-CE1 3.29Å; Y327-F408 AromaticContact CD1-CD1 3.77Å; Y327-F408 HydrophobicContact CD1-CD1 3.77Å; Y327-F408 AromaticContact CD1-CE1 3.58Å; Y327-F408 HydrophobicContact CD1-CE1 3.58Å; Y327-F408 HydrophobicContact CD1-CE2 4.44Å; Y327-F408 HydrophobicContact CD1-CG 4.27Å; Y327-F408 AromaticContact CD1-CZ 3.93Å; Y327-F408 HydrophobicContact CD1-CZ 3.93Å; Y327-F408 HydrophobicContact CE1-CD1 4.22Å; Y327-F408 HydrophobicContact CE1-CD2 4.28Å; Y327-F408 AromaticContact CE1-CE1 3.88Å; Y327-F408 HydrophobicContact CE1-CE1 3.88Å; Y327-F408 AromaticContact CE1-CE2 3.94Å; Y327-F408 HydrophobicContact CE1-CE2 3.94Å; Y327-F408 HydrophobicContact CE1-CG 4.4Å; Y327-F408 AromaticContact CE1-CZ 3.71Å; Y327-F408 HydrophobicContact CE1-CZ 3.71Å; F406-F408 PolarHBondContact O-N 2.94Å
409	L	96.6	Very high	96.6	Very high	6 Å²	6	30 Å²	30	3%	0.031	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-100.1	33.5	179	-61.1	-177.2	0	0	0	112.7	L112 E115 I116 R252 F253 F406 G407 P411	L112-L409 HydrophobicContact CD1-CD1 3.6Å; E115-L409 HydrophobicContact CB-CD1 3.65Å; I116-L409 HydrophobicContact CG1-CD1 3.92Å; I116-L409 HydrophobicContact CG1-CD2 3.83Å; R252-L409 HydrophobicContact CG-CD2 4.11Å; F253-L409 HydrophobicContact CE1-CD2 3.98Å; F253-L409 HydrophobicContact CE1-CG 4.06Å; F253-L409 HydrophobicContact CZ-CD1 4.03Å; F253-L409 HydrophobicContact CZ-CD2 3.9Å; F253-L409 HydrophobicContact CZ-CG 4.02Å; F406-L409 PolarHBondContact O-N 3.18Å; G407-L409 PolarHBondContact O-N 3Å; L409-P411 WeakPolarHBondContact O-CD 3.45Å; L409-P411 VanDerWaalsContact O-N 3.17Å
410	L	96.6	Very high	96.6	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.165	C	C	.	.			trans	-52.5	121.2	-179.6	-168.2	74.7	0	0	0	110.8	Y139 I202 R401 D402 F406 L414	Y139-L410 VanDerWaalsContact CE2-O 3.24Å; Y139-L410 WeakPolarHBondContact CE2-O 3.27Å; Y139-L410 PolarHBondContact OH-O 2.88Å; I202-L410 HydrophobicContact CB-CD2 4.22Å; I202-L410 HydrophobicContact CD1-CD2 4.02Å; I202-L410 HydrophobicContact CG1-CD2 3.83Å; R401-L410 HydrophobicContact CB-CD1 4.17Å; R401-L410 HydrophobicContact CB-CD2 4Å; D402-L410 HydrophobicContact CB-CD1 4.04Å; F406-L410 HydrophobicContact CD2-CD1 4.23Å; L410-L414 HydrophobicContact CD1-CB 4.15Å; L410-L414 HydrophobicContact CD1-CD1 3.68Å; L410-L414 HydrophobicContact CD2-CB 4.23Å; L410-L414 HydrophobicContact CG-CB 3.97Å; L410-L414 HydrophobicContact CG-CD1 4.35Å
411	P	95.5	Very high	96.6	Very high	31 Å²	31	31 Å²	31	20%	0.201	17%	0.165	C	C	.	.			trans	-59.3	151.3	-176.7	-27.2	33.7	0	0	0	113.8	F406 L409 S413 L414	F406-P411 HydrophobicContact CD1-CG 3.84Å; F406-P411 HydrophobicContact CD2-CG 4.15Å; F406-P411 HydrophobicContact CE1-CG 3.68Å; F406-P411 HydrophobicContact CE2-CG 3.98Å; F406-P411 VanDerWaalsContact CG-CD 3.46Å; F406-P411 HydrophobicContact CG-CG 4.07Å; F406-P411 HydrophobicContact CZ-CG 3.76Å; L409-P411 WeakPolarHBondContact O-CD 3.45Å; L409-P411 VanDerWaalsContact O-N 3.17Å; P411-S413 PolarHBondContact O-N 3.14Å; P411-L414 WeakPolarHBondContact O-CB 3.27Å; P411-L414 PolarHBondContact O-N 3.19Å
412	E	94.5	Very high	96.6	Very high	35 Å²	35	29.6 Å²	29.6	16%	0.164	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-57.4	-36.4	179.1	-69.8	-171.3	146.2	0	0	112.6	E137 V138 Y139 L414 I415	E137-E412 WeakPolarHBondContact O-CB 3.49Å; V138-E412 WeakPolarHBondContact CA-OE1 3.49Å; V138-E412 VanDerWaalsContact CB-OE1 3.26Å; V138-E412 WeakPolarHBondContact CB-OE1 3.45Å; Y139-E412 HydrophobicContact CD2-CG 3.66Å; Y139-E412 HydrophobicContact CE2-CG 3.9Å; Y139-E412 PolarHBondContact N-OE1 3.4Å; E412-L414 PolarHBondContact O-N 3.42Å; E412-I415 HydrophobicContact CB-CD1 4.19Å; E412-I415 HydrophobicContact CG-CD1 4.14Å; E412-I415 VanDerWaalsContact O-CB 3.3Å; E412-I415 WeakPolarHBondContact O-CB 3.39Å; E412-I415 WeakPolarHBondContact O-CG1 3.37Å; E412-I415 PolarHBondContact O-N 3.04Å
413	S	94.8	Very high	96.7	Very high	97 Å²	97	29.7 Å²	29.7	68%	0.678	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-59.2	-18.3	174	56.1	0	0	0	0	114.4	P411	P411-S413 PolarHBondContact O-N 3.14Å
414	L	97.3	Very high	96.9	Very high	44 Å²	44	30 Å²	30	23%	0.23	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-98	-2	175.2	-65.6	-177.5	0	0	0	113.8	F406 L410 P411 E412 P417 T418	F406-L414 HydrophobicContact CD2-CD1 4.25Å; F406-L414 HydrophobicContact CE2-CD1 3.99Å; L410-L414 HydrophobicContact CD1-CB 4.15Å; L410-L414 HydrophobicContact CD1-CD1 3.68Å; L410-L414 HydrophobicContact CD2-CB 4.23Å; L410-L414 HydrophobicContact CG-CB 3.97Å; L410-L414 HydrophobicContact CG-CD1 4.35Å; P411-L414 WeakPolarHBondContact O-CB 3.27Å; P411-L414 PolarHBondContact O-N 3.19Å; E412-L414 PolarHBondContact O-N 3.42Å; L414-P417 HydrophobicContact CB-CG 4.46Å; L414-P417 HydrophobicContact CD2-CG 4.04Å; L414-P417 WeakPolarHBondContact O-CD 3.38Å; L414-P417 WeakPolarHBondContact O-CG 3.36Å; L414-T418 VanDerWaalsContact O-CB 3.25Å; L414-T418 WeakPolarHBondContact O-CB 3.37Å; L414-T418 PolarHBondContact O-N 2.92Å; L414-T418 VanDerWaalsContact O-N 3.16Å; L414-T418 PolarHBondContact O-OG1 2.99Å
415	I	98.4	Very high	97.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-56.5	176.4	-68.3	172.1	0	0	0	110	Y136 Y139 I202 A205 E412 T418 C419	Y136-I415 WeakPolarHBondContact O-CG2 3.41Å; Y139-I415 HydrophobicContact CD1-CD1 3.9Å; Y139-I415 HydrophobicContact CD2-CD1 4Å; Y139-I415 HydrophobicContact CE1-CD1 3.72Å; Y139-I415 HydrophobicContact CE1-CG1 4.01Å; Y139-I415 HydrophobicContact CE2-CD1 3.8Å; Y139-I415 HydrophobicContact CE2-CG1 4.26Å; Y139-I415 HydrophobicContact CG-CD1 4.06Å; I202-I415 HydrophobicContact CD1-CB 4.34Å; I202-I415 HydrophobicContact CD1-CG1 4.04Å; I202-I415 HydrophobicContact CD1-CG2 4.38Å; A205-I415 HydrophobicContact CB-CG2 4.06Å; E412-I415 HydrophobicContact CB-CD1 4.19Å; E412-I415 HydrophobicContact CG-CD1 4.14Å; E412-I415 VanDerWaalsContact O-CB 3.3Å; E412-I415 WeakPolarHBondContact O-CB 3.39Å; E412-I415 WeakPolarHBondContact O-CG1 3.37Å; E412-I415 PolarHBondContact O-N 3.04Å; I415-T418 PolarHBondContact O-N 3.31Å; I415-C419 WeakPolarHBondContact O-CB 3.48Å; I415-C419 PolarHBondContact O-N 3.31Å; I415-C419 PolarHBondContact O-SG 3.36Å
416	K	98.3	Very high	97.5	Very high	83 Å²	83	24.9 Å²	24.9	36%	0.361	13%	0.131	S	C	.	.	H	α-helix	trans	-53.2	-55.9	179.6	176.7	-177.5	-149.2	146.6	0	113.7	E137 W209 T418 C419 I420	E137-K416 HydrophobicContact CG-CB 4.15Å; E137-K416 WeakPolarHBondContact OE1-CD 3.34Å; E137-K416 WeakPolarHBondContact OE1-CE 3.41Å; E137-K416 IonicContact OE1-NZ 3.52Å; E137-K416 PolarHBondContact OE1-NZ 3.03Å; E137-K416 IonicContact OE2-NZ 3.37Å; W209-K416 HydrophobicContact CH2-CB 4.01Å; W209-K416 HydrophobicContact CH2-CD 4.36Å; W209-K416 HydrophobicContact CH2-CG 3.65Å; W209-K416 HydrophobicContact CZ2-CG 4.12Å; W209-K416 HydrophobicContact CZ3-CB 4.22Å; W209-K416 HydrophobicContact CZ3-CG 4.36Å; K416-T418 VanDerWaalsContact C-N 3.3Å; K416-T418 PolarHBondContact O-N 3.03Å; K416-C419 PolarHBondContact O-N 3.26Å; K416-I420 HydrophobicContact CD-CD1 4.46Å; K416-I420 HydrophobicContact CG-CD1 3.69Å; K416-I420 HydrophobicContact CG-CG1 4.46Å; K416-I420 WeakPolarHBondContact O-CG1 3.47Å; K416-I420 PolarHBondContact O-N 3.02Å
417	P	98.5	Very high	97.7	Very high	23 Å²	23	24.4 Å²	24.4	15%	0.149	13%	0.129	C	C	.	.	H	α-helix	trans	-63.2	-37.3	-178.4	23.4	-33.8	0	0	0	112.3	Y363 L414 E421	Y363-P417 HydrophobicContact CD2-CB 4.07Å; Y363-P417 HydrophobicContact CE2-CB 3.76Å; Y363-P417 WeakPolarHBondContact CE2-O 3.33Å; L414-P417 HydrophobicContact CB-CG 4.46Å; L414-P417 HydrophobicContact CD2-CG 4.04Å; L414-P417 WeakPolarHBondContact O-CD 3.38Å; L414-P417 WeakPolarHBondContact O-CG 3.36Å; P417-E421 WeakPolarHBondContact O-CG 3.49Å; P417-E421 PolarHBondContact O-N 3.35Å
418	T	98.9	Very high	97.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-44.2	174.8	-54.7	0	0	0	0	111.1	I202 L400 R401 L414 I415 K416 I420 E421 T422	I202-T418 HydrophobicContact CD1-CG2 4.09Å; I202-T418 HydrophobicContact CG1-CG2 3.8Å; L400-T418 HydrophobicContact CB-CG2 4.19Å; L400-T418 HydrophobicContact CD1-CG2 4.2Å; R401-T418 HydrophobicContact CB-CG2 4.19Å; R401-T418 WeakPolarHBondContact CD-OG1 3.32Å; R401-T418 HydrophobicContact CG-CG2 4.08Å; L414-T418 VanDerWaalsContact O-CB 3.25Å; L414-T418 WeakPolarHBondContact O-CB 3.37Å; L414-T418 PolarHBondContact O-N 2.92Å; L414-T418 VanDerWaalsContact O-N 3.16Å; L414-T418 PolarHBondContact O-OG1 2.99Å; I415-T418 PolarHBondContact O-N 3.31Å; K416-T418 VanDerWaalsContact C-N 3.3Å; K416-T418 PolarHBondContact O-N 3.03Å; T418-I420 PolarHBondContact O-N 2.87Å; T418-E421 VanDerWaalsContact O-CG 3.27Å; T418-E421 WeakPolarHBondContact O-CG 3.19Å; T418-T422 WeakPolarHBondContact O-CB 3.39Å; T418-T422 PolarHBondContact O-N 3.48Å; T418-T422 VanDerWaalsContact O-N 3.08Å; T418-T422 PolarHBondContact O-OG1 2.94Å
419	C	98.9	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.7	-37.3	-178.3	-63.9	0	0	0	0	112.7	F206 W209 I415 K416 L423	F206-C419 HydrophobicContact CD2-CB 4.28Å; W209-C419 HydrophobicContact CB-CB 3.67Å; W209-C419 VanDerWaalsContact CD1-CB 3.49Å; W209-C419 HydrophobicContact CD2-CB 3.52Å; W209-C419 HydrophobicContact CE3-CB 4.14Å; W209-C419 HydrophobicContact CG-CB 3.25Å; I415-C419 WeakPolarHBondContact O-CB 3.48Å; I415-C419 PolarHBondContact O-N 3.31Å; I415-C419 PolarHBondContact O-SG 3.36Å; K416-C419 PolarHBondContact O-N 3.26Å; C419-L423 WeakPolarHBondContact O-CB 3.29Å; C419-L423 PolarHBondContact O-N 3.25Å
420	I	98.8	Very high	97.9	Very high	44 Å²	44	25.1 Å²	25.1	23%	0.226	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-46.9	177.6	-73.2	170.6	0	0	0	111.2	W209 A362 Y363 K416 T418 L423 K424	W209-I420 HydrophobicContact CZ2-CD1 4.29Å; W209-I420 HydrophobicContact CZ2-CG1 3.97Å; A362-I420 HydrophobicContact CB-CG2 4.35Å; Y363-I420 HydrophobicContact CE2-CB 3.99Å; Y363-I420 HydrophobicContact CE2-CG2 3.84Å; Y363-I420 VanDerWaalsContact OH-CD1 3.29Å; Y363-I420 WeakPolarHBondContact OH-CD1 3.26Å; K416-I420 HydrophobicContact CD-CD1 4.46Å; K416-I420 HydrophobicContact CG-CD1 3.69Å; K416-I420 HydrophobicContact CG-CG1 4.46Å; K416-I420 WeakPolarHBondContact O-CG1 3.47Å; K416-I420 PolarHBondContact O-N 3.02Å; T418-I420 PolarHBondContact O-N 2.87Å; I420-L423 PolarHBondContact O-N 3.14Å; I420-K424 PolarHBondContact O-N 3.11Å
421	E	98.7	Very high	97.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67	-41.9	179.9	73.5	-175	-166.8	0	0	111.5	L359 A362 Y363 V365 Y367 R401 P417 T418 L423 K424 A425	L359-E421 HydrophobicContact CD1-CG 4.37Å; L359-E421 HydrophobicContact CD2-CB 3.94Å; L359-E421 HydrophobicContact CD2-CG 3.91Å; L359-E421 HydrophobicContact CG-CB 3.8Å; L359-E421 HydrophobicContact CG-CG 3.89Å; A362-E421 HydrophobicContact CB-CB 3.75Å; Y363-E421 HydrophobicContact CD2-CB 4.24Å; V365-E421 WeakPolarHBondContact CB-OE2 3.4Å; V365-E421 WeakPolarHBondContact CG2-OE2 3.48Å; Y367-E421 PolarHBondContact OH-OE1 3.46Å; R401-E421 WeakPolarHBondContact CG-OE1 2.98Å; R401-E421 IonicContact CZ-OE1 3.91Å; R401-E421 IonicContact CZ-OE2 2.8Å; R401-E421 IonicContact NE-OE1 2.79Å; R401-E421 PolarHBondContact NE-OE1 3.22Å; R401-E421 IonicContact NE-OE2 3.31Å; R401-E421 PolarHBondContact NE-OE2 2.84Å; R401-E421 IonicContact NH2-OE1 3.83Å; R401-E421 IonicContact NH2-OE2 3.95Å; R401-E421 PolarHBondContact NH2-OE2 2.91Å; P417-E421 WeakPolarHBondContact O-CG 3.49Å; P417-E421 PolarHBondContact O-N 3.35Å; T418-E421 VanDerWaalsContact O-CG 3.27Å; T418-E421 WeakPolarHBondContact O-CG 3.19Å; E421-L423 PolarHBondContact O-N 3.24Å; E421-K424 WeakPolarHBondContact O-CB 3.44Å; E421-K424 PolarHBondContact O-N 3.16Å; E421-A425 PolarHBondContact O-N 3.38Å
422	T	98.9	Very high	97.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.6	-37	177	-53.1	0	0	0	0	111.7	F206 F398 L400 T418 K424 A425 V426	F206-T422 HydrophobicContact CD1-CG2 4.28Å; F206-T422 HydrophobicContact CD2-CG2 3.8Å; F206-T422 HydrophobicContact CE1-CG2 3.96Å; F206-T422 HydrophobicContact CE2-CG2 3.45Å; F206-T422 VanDerWaalsContact CE2-CG2 3.45Å; F206-T422 HydrophobicContact CG-CG2 4.2Å; F206-T422 HydrophobicContact CZ-CG2 3.54Å; F398-T422 HydrophobicContact CD1-CG2 4.27Å; F398-T422 HydrophobicContact CE1-CG2 4.41Å; L400-T422 HydrophobicContact CD2-CG2 3.76Å; L400-T422 VanDerWaalsContact CD2-OG1 3.31Å; L400-T422 WeakPolarHBondContact CD2-OG1 3.47Å; T418-T422 WeakPolarHBondContact O-CB 3.39Å; T418-T422 PolarHBondContact O-N 3.48Å; T418-T422 VanDerWaalsContact O-N 3.08Å; T418-T422 PolarHBondContact O-OG1 2.94Å; T422-K424 VanDerWaalsContact C-N 3.3Å; T422-K424 PolarHBondContact O-N 2.52Å; T422-A425 WeakPolarHBondContact O-CB 3.49Å; T422-A425 PolarHBondContact O-N 3.14Å; T422-A425 VanDerWaalsContact O-N 3.12Å; T422-V426 HydrophobicContact CG2-CG2 4.38Å; T422-V426 WeakPolarHBondContact O-CG2 3.45Å; T422-V426 PolarHBondContact O-N 3.01Å
423	L	98.8	Very high	97.9	Very high	17 Å²	17	25.4 Å²	25.4	9%	0.089	15%	0.148	C	C	.	.	H	α-helix	trans	-59.4	-41.3	175.2	178.5	67	0	0	0	111.5	F210 E213 M224 C419 I420 E421 A425 V426 K427	F210-L423 HydrophobicContact CD2-CD1 3.56Å; F210-L423 HydrophobicContact CE2-CD1 3.92Å; E213-L423 HydrophobicContact CB-CD2 3.66Å; E213-L423 HydrophobicContact CG-CD2 3.75Å; M224-L423 HydrophobicContact CE-CD1 4.22Å; C419-L423 WeakPolarHBondContact O-CB 3.29Å; C419-L423 PolarHBondContact O-N 3.25Å; I420-L423 PolarHBondContact O-N 3.14Å; E421-L423 PolarHBondContact O-N 3.24Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 3.29Å; L423-V426 PolarHBondContact O-N 3.14Å; L423-K427 HydrophobicContact CD1-CD 4.38Å; L423-K427 HydrophobicContact CD1-CG 4.27Å; L423-K427 HydrophobicContact CG-CD 4.14Å; L423-K427 HydrophobicContact CG-CG 4.41Å; L423-K427 WeakPolarHBondContact O-CB 3.29Å; L423-K427 WeakPolarHBondContact O-CG 3.41Å; L423-K427 PolarHBondContact O-N 3.25Å
424	K	98.8	Very high	97.7	Very high	79 Å²	79	22.9 Å²	22.9	34%	0.343	13%	0.127	S	C	.	.	H	α-helix	trans	-59.9	-44	174.8	-70.8	-165.7	178.9	-172.6	0	111.5	A358 S361 A362 I420 E421 T422 K427 A428	A358-K424 HydrophobicContact CB-CB 4.21Å; A358-K424 WeakPolarHBondContact O-CB 3.24Å; A358-K424 WeakPolarHBondContact O-CD 3.18Å; S361-K424 PolarHBondContact O-NZ 2.02Å; S361-K424 WeakPolarHBondContact OG-CD 3.42Å; S361-K424 PolarHBondContact OG-NZ 3.09Å; A362-K424 HydrophobicContact CB-CD 4.05Å; I420-K424 PolarHBondContact O-N 3.11Å; E421-K424 WeakPolarHBondContact O-CB 3.44Å; E421-K424 PolarHBondContact O-N 3.16Å; T422-K424 VanDerWaalsContact C-N 3.3Å; T422-K424 PolarHBondContact O-N 2.52Å; K424-K427 PolarHBondContact O-N 2.97Å; K424-A428 PolarHBondContact O-N 3.32Å
425	A	98.8	Very high	97.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-48.9	177	0	0	0	0	0	112	A355 L359 F398 E421 T422 L423 K427 A428 I429	A355-A425 HydrophobicContact CB-CB 4.11Å; A355-A425 WeakPolarHBondContact O-CA 3.48Å; A355-A425 WeakPolarHBondContact O-CB 3.3Å; L359-A425 HydrophobicContact CB-CB 4.12Å; L359-A425 HydrophobicContact CD1-CB 4.18Å; F398-A425 HydrophobicContact CE1-CB 3.74Å; F398-A425 HydrophobicContact CZ-CB 3.79Å; E421-A425 PolarHBondContact O-N 3.38Å; T422-A425 WeakPolarHBondContact O-CB 3.49Å; T422-A425 PolarHBondContact O-N 3.14Å; T422-A425 VanDerWaalsContact O-N 3.12Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 3.29Å; A425-K427 PolarHBondContact O-N 3.45Å; A425-A428 WeakPolarHBondContact O-CB 3.34Å; A425-A428 PolarHBondContact O-N 3.03Å; A425-I429 PolarHBondContact O-N 2.94Å
426	V	98.8	Very high	96	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-40.5	179.8	173.9	0	0	0	0	111.5	M190 I192 F206 F210 I322 F398 T422 L423 A428 I429 A430	M190-V426 HydrophobicContact CE-CG1 4.1Å; I192-V426 HydrophobicContact CD1-CG1 3.8Å; F206-V426 HydrophobicContact CE1-CG2 4.3Å; F206-V426 HydrophobicContact CZ-CB 4.47Å; F206-V426 HydrophobicContact CZ-CG2 3.79Å; F210-V426 HydrophobicContact CD2-CG1 4.14Å; F210-V426 HydrophobicContact CE2-CB 4.42Å; F210-V426 HydrophobicContact CE2-CG1 3.58Å; F210-V426 HydrophobicContact CZ-CG1 4.36Å; I322-V426 HydrophobicContact CD1-CG2 4.2Å; F398-V426 HydrophobicContact CE2-CG2 4.43Å; F398-V426 HydrophobicContact CZ-CG2 4.47Å; T422-V426 HydrophobicContact CG2-CG2 4.38Å; T422-V426 WeakPolarHBondContact O-CG2 3.45Å; T422-V426 PolarHBondContact O-N 3.01Å; L423-V426 PolarHBondContact O-N 3.14Å; V426-A428 VanDerWaalsContact C-N 3.3Å; V426-A428 PolarHBondContact O-N 3.26Å; V426-I429 PolarHBondContact O-N 2.93Å; V426-A430 WeakPolarHBondContact O-CB 3.46Å; V426-A430 PolarHBondContact O-N 3.28Å
427	K	98.3	Very high	94.7	Very high	41 Å²	41	35.9 Å²	35.9	18%	0.178	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-38.4	173.1	-76.3	179	74.5	175.8	0	111.9	D221 M224 L227 L423 K424 A425 S431	D221-K427 VanDerWaalsContact CG-NZ 3.32Å; D221-K427 IonicContact OD1-NZ 2.71Å; D221-K427 PolarHBondContact OD1-NZ 3.03Å; D221-K427 IonicContact OD2-NZ 3.77Å; D221-K427 PolarHBondContact OD2-NZ 3.1Å; M224-K427 HydrophobicContact CE-CD 4.1Å; M224-K427 HydrophobicContact CE-CG 4.16Å; L227-K427 HydrophobicContact CD1-CB 4.46Å; L227-K427 HydrophobicContact CD1-CG 4.24Å; L423-K427 HydrophobicContact CD1-CD 4.38Å; L423-K427 HydrophobicContact CD1-CG 4.27Å; L423-K427 HydrophobicContact CG-CD 4.14Å; L423-K427 HydrophobicContact CG-CG 4.41Å; L423-K427 WeakPolarHBondContact O-CB 3.29Å; L423-K427 WeakPolarHBondContact O-CG 3.41Å; L423-K427 PolarHBondContact O-N 3.25Å; K424-K427 PolarHBondContact O-N 2.97Å; A425-K427 PolarHBondContact O-N 3.45Å; K427-S431 VanDerWaalsContact O-CB 3.25Å; K427-S431 WeakPolarHBondContact O-CB 3.41Å; K427-S431 PolarHBondContact O-N 3.4Å; K427-S431 PolarHBondContact O-OG 3.19Å
428	A	98.3	Very high	93.1	Very high	28 Å²	28	41.4 Å²	41.4	23%	0.231	22%	0.216	C	C	.	.	H	α-helix	trans	-64.7	-46.8	177.2	0	0	0	0	0	111.6	A358 K424 A425 V426 S431 G432	A358-A428 HydrophobicContact CB-CB 3.93Å; K424-A428 PolarHBondContact O-N 3.32Å; A425-A428 WeakPolarHBondContact O-CB 3.34Å; A425-A428 PolarHBondContact O-N 3.03Å; V426-A428 VanDerWaalsContact C-N 3.3Å; V426-A428 PolarHBondContact O-N 3.26Å; A428-S431 PolarHBondContact O-N 2.85Å; A428-G432 PolarHBondContact O-N 3.45Å
429	I	98.3	Very high	91.1	Very high	3 Å²	3	45 Å²	45	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-52.4	175	-64.8	169.7	0	0	0	110.1	M190 I322 A355 F396 F398 A425 V426 S431 G432 L433	M190-I429 HydrophobicContact CE-CG2 4.14Å; I322-I429 HydrophobicContact CD1-CD1 3.84Å; I322-I429 HydrophobicContact CD1-CG2 4.47Å; A355-I429 HydrophobicContact CB-CD1 3.98Å; A355-I429 HydrophobicContact CB-CG1 3.75Å; F396-I429 HydrophobicContact CD2-CD1 3.96Å; F396-I429 HydrophobicContact CD2-CG2 4.3Å; F396-I429 HydrophobicContact CE2-CD1 4.18Å; F396-I429 HydrophobicContact CE2-CG1 4.44Å; F396-I429 HydrophobicContact CE2-CG2 4.03Å; F396-I429 HydrophobicContact CG-CD1 4.38Å; F398-I429 HydrophobicContact CE2-CD1 4.04Å; F398-I429 HydrophobicContact CZ-CD1 4.03Å; A425-I429 PolarHBondContact O-N 2.94Å; V426-I429 PolarHBondContact O-N 2.93Å; I429-S431 VanDerWaalsContact C-N 3.31Å; I429-S431 PolarHBondContact O-N 3.43Å; I429-G432 WeakPolarHBondContact O-CA 3.3Å; I429-G432 PolarHBondContact O-N 3.4Å; I429-L433 PolarHBondContact O-N 3.44Å
430	A	98.1	Very high	88.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-39.8	-178.1	0	0	0	0	0	112.3	M190 L227 L231 F233 V426 G432 L433	M190-A430 HydrophobicContact SD-CB 4.02Å; L227-A430 HydrophobicContact CD1-CB 4.08Å; L227-A430 HydrophobicContact CD2-CB 3.8Å; L231-A430 HydrophobicContact CD1-CB 4.05Å; F233-A430 HydrophobicContact CE1-CB 3.9Å; F233-A430 HydrophobicContact CZ-CB 3.96Å; V426-A430 WeakPolarHBondContact O-CB 3.46Å; V426-A430 PolarHBondContact O-N 3.28Å; A430-G432 VanDerWaalsContact C-N 3.3Å; A430-G432 PolarHBondContact O-N 2.98Å; A430-L433 WeakPolarHBondContact O-CB 3.43Å; A430-L433 PolarHBondContact O-N 3.3Å
431	S	97.1	Very high	85.8	Confident	35 Å²	35	57.5 Å²	57.5	25%	0.245	30%	0.297	C	S	.	.	H	α-helix	trans	-64.6	-36	175.1	-60.8	0	0	0	0	111.9	K427 A428 I429 L433 L434	K427-S431 VanDerWaalsContact O-CB 3.25Å; K427-S431 WeakPolarHBondContact O-CB 3.41Å; K427-S431 PolarHBondContact O-N 3.4Å; K427-S431 PolarHBondContact O-OG 3.19Å; A428-S431 PolarHBondContact O-N 2.85Å; I429-S431 VanDerWaalsContact C-N 3.31Å; I429-S431 PolarHBondContact O-N 3.43Å; S431-L433 VanDerWaalsContact C-N 3.3Å; S431-L433 PolarHBondContact O-N 3Å; S431-L434 PolarHBondContact O-N 3.26Å
432	G	94.9	Very high	83	Confident	32 Å²	32	65 Å²	65	33%	0.33	34%	0.337	S	S	.	.	H	α-helix	trans	-59.5	-37.1	172.5	0	0	0	0	0	113	A428 I429 A430 L434 K435	A428-G432 PolarHBondContact O-N 3.45Å; I429-G432 WeakPolarHBondContact O-CA 3.3Å; I429-G432 PolarHBondContact O-N 3.4Å; A430-G432 VanDerWaalsContact C-N 3.3Å; A430-G432 PolarHBondContact O-N 2.98Å; G432-L434 PolarHBondContact O-N 2.92Å; G432-K435 WeakPolarHBondContact O-CB 3.49Å; G432-K435 PolarHBondContact O-N 3.02Å
433	L	93.6	Very high	80.2	Confident	7 Å²	7	74.9 Å²	74.9	4%	0.037	37%	0.374	C	S	.	.	H	α-helix	trans	-66	-22.2	179.4	-56.2	178.2	0	0	0	114.1	K188 M190 K319 A320 Y394 I429 A430 S431 K435	K188-L433 PolarHBondContact NZ-O 3.26Å; M190-L433 HydrophobicContact CB-CD1 4.5Å; M190-L433 HydrophobicContact SD-CD1 4.18Å; K319-L433 HydrophobicContact CB-CD2 4.42Å; A320-L433 HydrophobicContact CB-CD1 3.52Å; A320-L433 HydrophobicContact CB-CD2 4.17Å; A320-L433 HydrophobicContact CB-CG 4.43Å; Y394-L433 HydrophobicContact CD2-CD2 3.31Å; Y394-L433 HydrophobicContact CE2-CD2 3.7Å; Y394-L433 HydrophobicContact CG-CD2 3.84Å; I429-L433 PolarHBondContact O-N 3.44Å; A430-L433 WeakPolarHBondContact O-CB 3.43Å; A430-L433 PolarHBondContact O-N 3.3Å; S431-L433 VanDerWaalsContact C-N 3.3Å; S431-L433 PolarHBondContact O-N 3Å; L433-K435 VanDerWaalsContact C-N 3.3Å
434	L	90.8	Very high	77.3	Confident	45 Å²	45	83.7 Å²	83.7	24%	0.236	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-19.4	174.2	-62.5	-174.8	0	0	0	112.3	R226 L227 H230 L231 S431 G432	R226-L434 HydrophobicContact CG-CD1 4.03Å; L227-L434 HydrophobicContact CD2-CD1 4Å; H230-L434 HydrophobicContact CB-CD1 4.4Å; H230-L434 HydrophobicContact CB-CD2 3.61Å; L231-L434 HydrophobicContact CD1-CD2 4.36Å; L231-L434 HydrophobicContact CD2-CD2 3.83Å; L231-L434 HydrophobicContact CG-CD2 3.89Å; S431-L434 PolarHBondContact O-N 3.26Å; G432-L434 PolarHBondContact O-N 2.92Å
435	K	87.4	Confident	74.2	Confident	157 Å²	157	84.6 Å²	84.6	68%	0.683	43%	0.428	S	S	*	.	S	Bend	trans	-90.3	151.4	173.4	-57.1	-179.9	-176.7	179.9	0	109.4	G432 L433	G432-K435 WeakPolarHBondContact O-CB 3.49Å; G432-K435 PolarHBondContact O-N 3.02Å; L433-K435 VanDerWaalsContact C-N 3.3Å
436	K	72.3	Confident	71.1	Confident	191 Å²	191	94.7 Å²	94.7	83%	0.83	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-74.6	130.3	166.1	-75.4	-175.9	179.6	178.1	0	107.2
437	C	72.5	Confident	68	Low	51 Å²	51	106.3 Å²	106.3	35%	0.345	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-81.5	119.3	160.7	-168.7	0	0	0	0	107.5	C347 Y394 T439	C347-C437 VanDerWaalsContact CA-SG 3.57Å; C347-C437 HydrophobicContact CB-CB 3.9Å; C347-C437 WeakPolarHBondContact CB-SG 3.42Å; C347-C437 WeakPolarHBondContact SG-CB 3.14Å; C347-C437 CovalentContact SG-SG 2.01Å; C347-C437 PolarHBondContact SG-SG 3.33Å; Y394-C437 VanDerWaalsContact OH-CB 3.25Å; Y394-C437 WeakPolarHBondContact OH-CB 3.35Å; C437-T439 VanDerWaalsContact C-N 3.32Å; C437-T439 PolarHBondContact O-N 2.98Å
438	N	63.9	Low	66.5	Low	139 Å²	139	109.6 Å²	109.6	74%	0.743	55%	0.545	S	S	*	.			trans	-75.1	93.8	170	-69	-11.7	0	0	0	106.6	D440	N438-D440 PolarHBondContact O-N 3.3Å
439	T	56.3	Low	64.8	Low	75 Å²	75	113.8 Å²	113.8	46%	0.46	56%	0.561	S	S	.	*			trans	-70.4	121.7	158.9	53.9	0	0	0	0	105.5	C437 K441	C437-T439 VanDerWaalsContact C-N 3.32Å; C437-T439 PolarHBondContact O-N 2.98Å; T439-K441 VanDerWaalsContact C-N 3.26Å; T439-K441 PolarHBondContact O-N 3.5Å
440	D	44.6	Very low	63	Low	124 Å²	124	120 Å²	120	66%	0.663	59%	0.591	S	S	*	*			trans	-52.2	93.6	172.3	-69.5	-44.2	0	0	0	109.3	N438 D442	N438-D440 PolarHBondContact O-N 3.3Å; D440-D442 VanDerWaalsContact C-N 3.34Å
441	K	42.4	Very low	60.9	Low	184 Å²	184	127.1 Å²	127.1	80%	0.8	63%	0.626	S	S	*	*			trans	-95.3	2.7	167.7	-95.5	-169.5	171.4	-169.2	0	111.3	T439	T439-K441 VanDerWaalsContact C-N 3.26Å; T439-K441 PolarHBondContact O-N 3.5Å
442	D	39.3	Very low	58.6	Low	157 Å²	157	132.8 Å²	132.8	84%	0.84	65%	0.65	S	S	*	*	S	Bend	trans	-114.3	17.7	-178.5	-62.6	-28.4	0	0	0	113.7	D440	D440-D442 VanDerWaalsContact C-N 3.34Å
443	R	40.1	Very low	56.2	Low	208 Å²	208	139.5 Å²	139.5	79%	0.785	67%	0.671	S	S	*	*	S	Bend	trans	-119.9	77.7	163.1	-84.9	-171.4	179.3	-167.7	0.6	109.3
444	F	39	Very low	53.6	Low	202 Å²	202	149 Å²	149	89%	0.886	72%	0.717	S	S	*	*			trans	170.7	68.1	138.4	-85.8	-65.4	0	0	0	107.3
445	S	33.1	Very low	50.7	Low	98 Å²	98	157 Å²	157	69%	0.685	75%	0.754	S	S	*	*			trans	-85.9	120.6	150	-82.7	0	0	0	0	106.5
446	Y	34.7	Very low	47.6	Very low	212 Å²	212	157 Å²	157	83%	0.831	76%	0.76	S	S	*	*			trans	67.7	106.1	172.5	-52.3	-81.2	0	0	0	116.3
447	I	33.3	Very low	45.4	Very low	243 Å²	243	153.9 Å²	153.9	100%	1.246	75%	0.753	S	S	*	*				-168.8	0	98.4	-82.8	157.4	0	0	0	107.7

Retrieved 447 of 447 residues in 606.6 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).