A0A3Q0KH54_SCHMA Loading...

Cathepsin B-like cysteine proteinase

Thiol protease. Has a role as a digestive enzyme.

AlphaFold DB , UniProt , Accession A0A3Q0KH54, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 340 aa.

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(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	47.8	Very low	43.6	Very low	243 Å²	243	142.2 Å²	142.2	100%	1.197	83%	0.831	S	S	*	*				0	96.2	0	-69.2	-176.3	-174.5	0	0	107.1
2	L	37.5	Very low	43.8	Very low	158 Å²	158	141.3 Å²	141.3	83%	0.827	82%	0.818	S	S	*	*			trans	-96.9	129	177.8	-87.5	90.7	0	0	0	108.7
3	T	43.2	Very low	43.7	Very low	144 Å²	144	138.9 Å²	138.9	88%	0.883	81%	0.807	S	S	*	*			trans	-143.3	90.7	155.7	33.7	0	0	0	0	107.9
4	S	44.1	Very low	43.8	Very low	100 Å²	100	140.4 Å²	140.4	70%	0.699	80%	0.802	S	S	*	*			trans	-93.1	132.1	176	-45.3	0	0	0	0	109.7
5	V	47.8	Very low	43.5	Very low	129 Å²	129	141.5 Å²	141.5	78%	0.782	80%	0.803	S	S	*	*			trans	-64.3	128.4	-175.8	175.1	0	0	0	0	112
6	L	42.8	Very low	43.3	Very low	162 Å²	162	140.9 Å²	140.9	85%	0.848	80%	0.797	S	S	*	*			trans	-81.8	109.7	163.3	-98.7	92.2	0	0	0	109.3
7	C	44.7	Very low	43.2	Very low	122 Å²	122	137.5 Å²	137.5	82%	0.824	79%	0.79	S	S	*	*			trans	-90.5	115.3	160.8	-89.4	0	0	0	0	109	A9	C7-A9 PolarHBondContact O-N 2.63Å
8	I	46.6	Very low	43	Very low	159 Å²	159	139.9 Å²	139.9	82%	0.815	79%	0.793	S	S	*	*			trans	-77.9	104	171.3	-63	170.3	0	0	0	107.3	S10	I8-S10 PolarHBondContact O-N 3.47Å
9	A	42.3	Very low	42.9	Very low	89 Å²	89	138.3 Å²	138.3	74%	0.736	78%	0.781	S	S	*	*			trans	-81.7	108.7	167.5	0	0	0	0	0	108.9	C7 L11	C7-A9 PolarHBondContact O-N 2.63Å; A9-L11 PolarHBondContact O-N 3.36Å
10	S	43.6	Very low	42.7	Very low	100 Å²	100	136.3 Å²	136.3	70%	0.699	78%	0.776	S	S	*	*			trans	-71.7	112	171.2	59.1	0	0	0	0	109.7	I8 I12	I8-S10 PolarHBondContact O-N 3.47Å; S10-I12 PolarHBondContact O-N 2.76Å
11	L	39.2	Very low	43	Very low	158 Å²	158	135 Å²	135	83%	0.827	77%	0.766	S	S	*	*			trans	-67.6	109.4	166.1	-87.3	97.4	0	0	0	108.9	A9 T13	A9-L11 PolarHBondContact O-N 3.36Å; L11-T13 PolarHBondContact O-N 2.74Å
12	I	45.8	Very low	43.1	Very low	132 Å²	132	130.7 Å²	130.7	68%	0.677	74%	0.74	S	S	*	*			trans	-85.1	101.3	161	-62.9	174.4	0	0	0	106	S10 H14	S10-I12 PolarHBondContact O-N 2.76Å; I12-H14 PolarHBondContact O-N 3.07Å
13	T	42.6	Very low	44	Very low	110 Å²	110	129.1 Å²	129.1	68%	0.675	73%	0.733	S	S	*	*			trans	-72.7	103.1	167.7	48.9	0	0	0	0	108.4	L11 L15	L11-T13 PolarHBondContact O-N 2.74Å; T13-L15 PolarHBondContact O-N 2.74Å; T13-L15 VanDerWaalsContact O-N 3.13Å
14	H	44.7	Very low	45.2	Very low	160 Å²	160	127 Å²	127	74%	0.741	71%	0.713	S	S	*	*			trans	-66.7	103.9	162.7	-84.5	-75.9	0	0	0	108.2	I12 D16	I12-H14 PolarHBondContact O-N 3.07Å; H14-D16 VanDerWaalsContact C-N 3.34Å; H14-D16 PolarHBondContact O-N 3Å; H14-D16 VanDerWaalsContact O-N 3.14Å
15	L	40.1	Very low	47.1	Very low	156 Å²	156	130 Å²	130	82%	0.817	71%	0.714	S	S	*	*			trans	-74	92.5	163.2	-120.9	88.2	0	0	0	107	T13 A17	T13-L15 PolarHBondContact O-N 2.74Å; T13-L15 VanDerWaalsContact O-N 3.13Å; L15-A17 VanDerWaalsContact C-N 3.34Å; L15-A17 PolarHBondContact O-N 3.46Å
16	D	39.5	Very low	49.2	Very low	133 Å²	133	126 Å²	126	71%	0.711	69%	0.685	S	S	*	*			trans	-70.4	97.1	161.7	-79.3	-36.7	0	0	0	107.4	H14 H18	H14-D16 VanDerWaalsContact C-N 3.34Å; H14-D16 PolarHBondContact O-N 3Å; H14-D16 VanDerWaalsContact O-N 3.14Å; D16-H18 PolarHBondContact O-N 3.21Å
17	A	42.2	Very low	51.6	Low	82 Å²	82	126 Å²	126	68%	0.678	68%	0.679	S	S	*	*			trans	-65.8	90.1	167.5	0	0	0	0	0	108.3	L15 I19	L15-A17 VanDerWaalsContact C-N 3.34Å; L15-A17 PolarHBondContact O-N 3.46Å; A17-I19 PolarHBondContact O-N 3.08Å
18	H	39.1	Very low	53.9	Low	181 Å²	181	121.6 Å²	121.6	84%	0.838	65%	0.649	S	S	*	*			trans	-63.7	86.1	161.6	-85.5	-66.4	0	0	0	108.5	D16 S20	D16-H18 PolarHBondContact O-N 3.21Å; H18-S20 VanDerWaalsContact C-N 3.32Å; H18-S20 PolarHBondContact O-N 3.33Å
19	I	42.3	Very low	56.1	Low	109 Å²	109	115.4 Å²	115.4	56%	0.559	62%	0.617	S	S	*	*			trans	-64.9	100	162.7	-67	173.5	0	0	0	105.9	A17 I21 P41	A17-I19 PolarHBondContact O-N 3.08Å; I19-I21 VanDerWaalsContact C-N 3.29Å; I19-I21 HydrophobicContact CG2-CG1 4.02Å; I19-I21 PolarHBondContact O-N 2.6Å; I19-P41 HydrophobicContact CD1-CG 4.03Å
20	S	37.4	Very low	58.7	Low	99 Å²	99	112 Å²	112	69%	0.692	59%	0.588	S	S	*	*			trans	-63.4	94.4	163.3	168.1	0	0	0	0	107.3	H18 K22	H18-S20 VanDerWaalsContact C-N 3.32Å; H18-S20 PolarHBondContact O-N 3.33Å; S20-K22 PolarHBondContact O-N 2.89Å
21	I	49.1	Very low	61.2	Low	108 Å²	108	112.2 Å²	112.2	55%	0.554	58%	0.581	S	S	*	*			trans	-67.4	87.7	172	-53.9	173.6	0	0	0	106.7	I19 N23	I19-I21 VanDerWaalsContact C-N 3.29Å; I19-I21 HydrophobicContact CG2-CG1 4.02Å; I19-I21 PolarHBondContact O-N 2.6Å; I21-N23 PolarHBondContact O-N 2.7Å
22	K	49.9	Very low	64	Low	153 Å²	153	109.8 Å²	109.8	67%	0.665	57%	0.569	S	S	*	*			trans	-62.6	130	161.7	-83.9	-177.1	175.6	178.4	0	106.1	S20 E24	S20-K22 PolarHBondContact O-N 2.89Å; K22-E24 HydrophobicContact CB-CG 4.33Å; K22-E24 PolarHBondContact O-N 2.65Å
23	N	57.6	Low	66.4	Low	126 Å²	126	103.6 Å²	103.6	67%	0.674	54%	0.537	S	S	*	.			trans	-67.4	77.1	171.6	-123.8	2.6	0	0	0	108	I21 K25	I21-N23 PolarHBondContact O-N 2.7Å; N23-K25 PolarHBondContact O-N 2.98Å
24	E	67.3	Low	69	Low	98 Å²	98	99.1 Å²	99.1	46%	0.458	51%	0.509	S	S	.	.			trans	-69	118.3	176	-74	-173.9	167.9	0	0	107.9	K22 F26 T280	K22-E24 HydrophobicContact CB-CG 4.33Å; K22-E24 PolarHBondContact O-N 2.65Å; E24-F26 HydrophobicContact CB-CD2 4.36Å; E24-F26 HydrophobicContact CB-CE2 3.5Å; E24-F26 HydrophobicContact CB-CZ 3.59Å; E24-F26 VanDerWaalsContact O-CD2 3.24Å; E24-F26 WeakPolarHBondContact O-CD2 3.48Å; E24-F26 WeakPolarHBondContact O-CE2 3.22Å; E24-F26 PolarHBondContact O-N 2.79Å; E24-F26 VanDerWaalsContact OE2-CZ 3.31Å; E24-F26 WeakPolarHBondContact OE2-CZ 3.43Å; E24-T280 PolarHBondContact O-OG1 3.12Å
25	K	83.7	Confident	71.5	Confident	165 Å²	165	94.1 Å²	94.1	72%	0.717	49%	0.492	S	S	*	.			trans	-86.2	108.3	179.3	-64.4	-166.3	-178.7	-129.7	0	108.6	N23 E282	N23-K25 PolarHBondContact O-N 2.98Å; K25-E282 IonicContact NZ-OE1 3.57Å; K25-E282 PolarHBondContact NZ-OE1 3.49Å
26	F	91.9	Very high	74.2	Confident	43 Å²	43	88.8 Å²	88.8	19%	0.189	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-94.5	154.2	174.1	-59.4	-82.1	0	0	0	110.8	E24 P28 D32 I33 Y36 T280	E24-F26 HydrophobicContact CB-CD2 4.36Å; E24-F26 HydrophobicContact CB-CE2 3.5Å; E24-F26 HydrophobicContact CB-CZ 3.59Å; E24-F26 VanDerWaalsContact O-CD2 3.24Å; E24-F26 WeakPolarHBondContact O-CD2 3.48Å; E24-F26 WeakPolarHBondContact O-CE2 3.22Å; E24-F26 PolarHBondContact O-N 2.79Å; E24-F26 VanDerWaalsContact OE2-CZ 3.31Å; E24-F26 WeakPolarHBondContact OE2-CZ 3.43Å; F26-P28 WeakPolarHBondContact O-CD 3.26Å; F26-D32 HydrophobicContact CD1-CB 3.96Å; F26-I33 HydrophobicContact CB-CB 3.63Å; F26-I33 HydrophobicContact CB-CD1 4.36Å; F26-I33 HydrophobicContact CB-CG1 4.01Å; F26-I33 HydrophobicContact CD2-CG1 4.43Å; F26-I33 HydrophobicContact CG-CB 4.17Å; F26-I33 HydrophobicContact CG-CG1 4.4Å; F26-Y36 HydrophobicContact CD2-CD1 4.18Å; F26-Y36 HydrophobicContact CD2-CG 4.22Å; F26-Y36 HydrophobicContact CE1-CD2 4.28Å; F26-Y36 HydrophobicContact CE1-CG 4.23Å; F26-Y36 AromaticContact CE2-CD1 3.52Å; F26-Y36 HydrophobicContact CE2-CD1 3.52Å; F26-Y36 AromaticContact CE2-CD2 3.56Å; F26-Y36 HydrophobicContact CE2-CD2 3.56Å; F26-Y36 AromaticContact CE2-CE1 3.85Å; F26-Y36 HydrophobicContact CE2-CE1 3.85Å; F26-Y36 AromaticContact CE2-CE2 3.87Å; F26-Y36 HydrophobicContact CE2-CE2 3.87Å; F26-Y36 AromaticContact CE2-CG 3.35Å; F26-Y36 HydrophobicContact CE2-CG 3.35Å; F26-Y36 HydrophobicContact CZ-CD1 4.05Å; F26-Y36 AromaticContact CZ-CD2 3.25Å; F26-Y36 HydrophobicContact CZ-CD2 3.25Å; F26-Y36 AromaticContact CZ-CE2 3.83Å; F26-Y36 HydrophobicContact CZ-CE2 3.83Å; F26-Y36 AromaticContact CZ-CG 3.36Å; F26-Y36 HydrophobicContact CZ-CG 3.36Å; F26-T280 HydrophobicContact CD2-CG2 4.01Å; F26-T280 HydrophobicContact CE2-CG2 4.42Å
27	K	93.8	Very high	77	Confident	162 Å²	162	82.4 Å²	82.4	70%	0.704	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-66.9	127.7	169.1	-177.5	179.1	178.2	-177.1	0	108.7	S30	K27-S30 WeakPolarHBondContact O-CB 3.17Å; K27-S30 PolarHBondContact O-N 3.32Å; K27-S30 PolarHBondContact O-OG 2.83Å
28	P	93	Very high	79.6	Confident	31 Å²	31	81.2 Å²	81.2	20%	0.201	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	145.5	179.4	-27.7	38	0	0	0	112.1	F26 S30 L56 E266	F26-P28 WeakPolarHBondContact O-CD 3.26Å; P28-S30 PolarHBondContact O-N 2.95Å; P28-S30 VanDerWaalsContact O-N 3.07Å; P28-L56 HydrophobicContact CB-CD2 3.59Å; P28-L56 HydrophobicContact CB-CG 4.26Å; P28-L56 HydrophobicContact CG-CD1 4.18Å; P28-L56 HydrophobicContact CG-CD2 4.02Å; P28-L56 HydrophobicContact CG-CG 4.37Å; P28-E266 HydrophobicContact CB-CB 4.12Å; P28-E266 HydrophobicContact CB-CG 4.11Å; P28-E266 HydrophobicContact CG-CB 4.12Å; P28-E266 HydrophobicContact CG-CG 3.77Å; P28-E266 WeakPolarHBondContact CG-OE1 3.44Å
29	L	93.8	Very high	82.4	Confident	29 Å²	29	80 Å²	80	15%	0.152	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	7.6	-179.1	-57.2	168.3	0	0	0	115.5	F53 L269 N270	L29-F53 HydrophobicContact CD1-CB 3.89Å; L29-F53 HydrophobicContact CD2-CB 4.11Å; L29-L269 HydrophobicContact CD1-CD1 4.49Å; L29-L269 HydrophobicContact CD2-CB 3.59Å; L29-L269 HydrophobicContact CD2-CD1 4.17Å; L29-L269 HydrophobicContact CG-CD1 4.31Å; L29-N270 WeakPolarHBondContact CA-OD1 3.48Å
30	S	96	Very high	85	Confident	17 Å²	17	76.6 Å²	76.6	12%	0.119	39%	0.386	C	S	.	.	S	Bend	trans	-77.8	163.2	178.3	67	0	0	0	0	112.9	K27 P28 D32 I33 I34	K27-S30 WeakPolarHBondContact O-CB 3.17Å; K27-S30 PolarHBondContact O-N 3.32Å; K27-S30 PolarHBondContact O-OG 2.83Å; P28-S30 PolarHBondContact O-N 2.95Å; P28-S30 VanDerWaalsContact O-N 3.07Å; S30-D32 PolarHBondContact O-N 3.08Å; S30-D32 PolarHBondContact OG-N 2.91Å; S30-I33 VanDerWaalsContact O-CG2 3.24Å; S30-I33 WeakPolarHBondContact O-CG2 3.41Å; S30-I33 PolarHBondContact OG-N 3.15Å; S30-I34 WeakPolarHBondContact O-CD1 3.33Å; S30-I34 VanDerWaalsContact O-CG1 3.29Å; S30-I34 WeakPolarHBondContact O-CG1 3.49Å; S30-I34 PolarHBondContact O-N 2.86Å
31	D	96.7	Very high	87.7	Confident	104 Å²	104	76.2 Å²	76.2	56%	0.556	38%	0.381	S	S	*	.	H	α-helix	trans	-66.5	-23.4	171.9	-62.6	-28.4	0	0	0	111.8	S35	D31-S35 WeakPolarHBondContact O-CB 3.3Å; D31-S35 PolarHBondContact O-N 2.89Å; D31-S35 PolarHBondContact O-OG 2.88Å
32	D	96.8	Very high	89.8	Confident	108 Å²	108	76.6 Å²	76.6	58%	0.578	38%	0.384	S	S	*	.	H	α-helix	trans	-68.7	-48	178.2	-56.8	-43.7	0	0	0	111.8	F26 S30 I34 S35 Y36	F26-D32 HydrophobicContact CD1-CB 3.96Å; S30-D32 PolarHBondContact O-N 3.08Å; S30-D32 PolarHBondContact OG-N 2.91Å; D32-I34 VanDerWaalsContact C-N 3.29Å; D32-I34 PolarHBondContact O-N 2.75Å; D32-S35 PolarHBondContact O-N 3.04Å; D32-Y36 WeakPolarHBondContact O-CB 3.37Å; D32-Y36 PolarHBondContact O-N 3.24Å
33	I	96.6	Very high	92	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-64.4	-37.7	177	-166.1	172.9	0	0	0	110.8	F26 S30 Y36 I37 D267 T280	F26-I33 HydrophobicContact CB-CB 3.63Å; F26-I33 HydrophobicContact CB-CD1 4.36Å; F26-I33 HydrophobicContact CB-CG1 4.01Å; F26-I33 HydrophobicContact CD2-CG1 4.43Å; F26-I33 HydrophobicContact CG-CB 4.17Å; F26-I33 HydrophobicContact CG-CG1 4.4Å; S30-I33 VanDerWaalsContact O-CG2 3.24Å; S30-I33 WeakPolarHBondContact O-CG2 3.41Å; S30-I33 PolarHBondContact OG-N 3.15Å; I33-Y36 PolarHBondContact O-N 2.86Å; I33-I37 HydrophobicContact CG1-CD1 3.93Å; I33-I37 VanDerWaalsContact O-CD1 3.25Å; I33-I37 WeakPolarHBondContact O-CD1 3.48Å; I33-I37 VanDerWaalsContact O-CG1 3.25Å; I33-I37 WeakPolarHBondContact O-CG1 3.44Å; I33-I37 PolarHBondContact O-N 3.32Å; I33-D267 HydrophobicContact CD1-CB 4.23Å; I33-T280 HydrophobicContact CD1-CG2 3.99Å; I33-T280 HydrophobicContact CG1-CG2 3.87Å
34	I	97.4	Very high	93.8	Very high	16 Å²	16	66 Å²	66	8%	0.082	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-48.7	177.3	-66.7	165	0	0	0	110.5	S30 D32 I37 N38 A47 K49 N270	S30-I34 WeakPolarHBondContact O-CD1 3.33Å; S30-I34 VanDerWaalsContact O-CG1 3.29Å; S30-I34 WeakPolarHBondContact O-CG1 3.49Å; S30-I34 PolarHBondContact O-N 2.86Å; D32-I34 VanDerWaalsContact C-N 3.29Å; D32-I34 PolarHBondContact O-N 2.75Å; I34-I37 PolarHBondContact O-N 2.76Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.26Å; I34-N38 WeakPolarHBondContact O-CB 3.23Å; I34-N38 PolarHBondContact O-N 3.08Å; I34-N38 PolarHBondContact O-ND2 2.78Å; I34-A47 HydrophobicContact CB-CB 4.46Å; I34-A47 HydrophobicContact CG1-CB 4.47Å; I34-A47 HydrophobicContact CG2-CB 4.18Å; I34-A47 WeakPolarHBondContact CG2-O 3.29Å; I34-K49 HydrophobicContact CD1-CB 4.33Å; I34-N270 HydrophobicContact CG1-CB 4.2Å
35	S	97.6	Very high	95.3	Very high	55 Å²	55	61.8 Å²	61.8	39%	0.385	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-47.3	177.8	-58.5	0	0	0	0	110.8	D31 D32 I37 N38 E39	D31-S35 WeakPolarHBondContact O-CB 3.3Å; D31-S35 PolarHBondContact O-N 2.89Å; D31-S35 PolarHBondContact O-OG 2.88Å; D32-S35 PolarHBondContact O-N 3.04Å; S35-I37 VanDerWaalsContact C-N 3.34Å; S35-I37 PolarHBondContact O-N 3.35Å; S35-N38 PolarHBondContact O-N 3.07Å; S35-N38 VanDerWaalsContact O-N 3.16Å; S35-E39 WeakPolarHBondContact O-CB 3.33Å; S35-E39 WeakPolarHBondContact O-CG 3.47Å; S35-E39 PolarHBondContact O-N 2.76Å
36	Y	97	Very high	96	Very high	44 Å²	44	60.5 Å²	60.5	17%	0.173	32%	0.318	C	S	.	.	H	α-helix	trans	-54.5	-47.7	177.2	176.6	-100.3	0	0	0	112.4	F26 D32 I33 H40 I279 T280	F26-Y36 HydrophobicContact CD2-CD1 4.18Å; F26-Y36 HydrophobicContact CD2-CG 4.22Å; F26-Y36 HydrophobicContact CE1-CD2 4.28Å; F26-Y36 HydrophobicContact CE1-CG 4.23Å; F26-Y36 AromaticContact CE2-CD1 3.52Å; F26-Y36 HydrophobicContact CE2-CD1 3.52Å; F26-Y36 AromaticContact CE2-CD2 3.56Å; F26-Y36 HydrophobicContact CE2-CD2 3.56Å; F26-Y36 AromaticContact CE2-CE1 3.85Å; F26-Y36 HydrophobicContact CE2-CE1 3.85Å; F26-Y36 AromaticContact CE2-CE2 3.87Å; F26-Y36 HydrophobicContact CE2-CE2 3.87Å; F26-Y36 AromaticContact CE2-CG 3.35Å; F26-Y36 HydrophobicContact CE2-CG 3.35Å; F26-Y36 HydrophobicContact CZ-CD1 4.05Å; F26-Y36 AromaticContact CZ-CD2 3.25Å; F26-Y36 HydrophobicContact CZ-CD2 3.25Å; F26-Y36 AromaticContact CZ-CE2 3.83Å; F26-Y36 HydrophobicContact CZ-CE2 3.83Å; F26-Y36 AromaticContact CZ-CG 3.36Å; F26-Y36 HydrophobicContact CZ-CG 3.36Å; D32-Y36 WeakPolarHBondContact O-CB 3.37Å; D32-Y36 PolarHBondContact O-N 3.24Å; I33-Y36 PolarHBondContact O-N 2.86Å; Y36-H40 WeakPolarHBondContact O-CB 3.44Å; Y36-H40 PolarHBondContact O-N 3.49Å; Y36-I279 HydrophobicContact CE1-CG2 3.75Å; Y36-T280 HydrophobicContact CD1-CG2 3.79Å; Y36-T280 HydrophobicContact CE1-CG2 3.8Å
37	I	97.4	Very high	96.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-46.3	178.1	-66.8	154.4	0	0	0	111.2	I33 I34 S35 E39 H40 W45 A47 D267	I33-I37 HydrophobicContact CG1-CD1 3.93Å; I33-I37 VanDerWaalsContact O-CD1 3.25Å; I33-I37 WeakPolarHBondContact O-CD1 3.48Å; I33-I37 VanDerWaalsContact O-CG1 3.25Å; I33-I37 WeakPolarHBondContact O-CG1 3.44Å; I33-I37 PolarHBondContact O-N 3.32Å; I34-I37 PolarHBondContact O-N 2.76Å; S35-I37 VanDerWaalsContact C-N 3.34Å; S35-I37 PolarHBondContact O-N 3.35Å; I37-E39 VanDerWaalsContact C-N 3.3Å; I37-E39 PolarHBondContact O-N 3.29Å; I37-H40 WeakPolarHBondContact O-CB 3.43Å; I37-H40 PolarHBondContact O-N 2.96Å; I37-W45 HydrophobicContact CB-CH2 4.47Å; I37-W45 HydrophobicContact CD1-CH2 3.45Å; I37-W45 VanDerWaalsContact CD1-CH2 3.45Å; I37-W45 HydrophobicContact CD1-CZ2 3.98Å; I37-W45 HydrophobicContact CD1-CZ3 4.16Å; I37-W45 HydrophobicContact CG1-CH2 4.02Å; I37-W45 HydrophobicContact CG1-CZ2 4.06Å; I37-W45 HydrophobicContact CG2-CD2 3.96Å; I37-W45 HydrophobicContact CG2-CE3 3.98Å; I37-W45 HydrophobicContact CG2-CH2 3.73Å; I37-W45 HydrophobicContact CG2-CZ2 3.68Å; I37-W45 HydrophobicContact CG2-CZ3 3.87Å; I37-A47 HydrophobicContact CB-CB 3.89Å; I37-A47 HydrophobicContact CD1-CB 3.78Å; I37-A47 HydrophobicContact CG1-CB 4.47Å; I37-A47 HydrophobicContact CG2-CB 3.77Å; I37-D267 HydrophobicContact CD1-CB 3.95Å
38	N	98.2	Very high	96.4	Very high	57 Å²	57	55.2 Å²	55.2	31%	0.305	30%	0.296	S	S	.	.	H	α-helix	trans	-70.2	-25.8	-175.4	-74.7	-32.8	0	0	0	113.5	I34 S35 R46 A47	I34-N38 WeakPolarHBondContact CG2-ND2 3.26Å; I34-N38 WeakPolarHBondContact O-CB 3.23Å; I34-N38 PolarHBondContact O-N 3.08Å; I34-N38 PolarHBondContact O-ND2 2.78Å; S35-N38 PolarHBondContact O-N 3.07Å; S35-N38 VanDerWaalsContact O-N 3.16Å; N38-R46 WeakPolarHBondContact OD1-CA 2.97Å; N38-A47 PolarHBondContact ND2-O 3.14Å; N38-A47 PolarHBondContact OD1-N 3.29Å; N38-A47 PolarHBondContact OD1-O 2.76Å
39	E	97.4	Very high	96.5	Very high	156 Å²	156	60.5 Å²	60.5	73%	0.729	32%	0.316	S	S	*	.	H	α-helix	trans	-90.3	-13	175.7	-67.6	175	-173.9	0	0	112.5	S35 I37	S35-E39 WeakPolarHBondContact O-CB 3.33Å; S35-E39 WeakPolarHBondContact O-CG 3.47Å; S35-E39 PolarHBondContact O-N 2.76Å; I37-E39 VanDerWaalsContact C-N 3.3Å; I37-E39 PolarHBondContact O-N 3.29Å
40	H	95.8	Very high	96.2	Very high	36 Å²	36	59.7 Å²	59.7	17%	0.167	31%	0.313	C	S	.	.			trans	-67.5	122.3	-176.8	-171.2	-72.3	0	0	0	111.1	Y36 I37 N42 A43	Y36-H40 WeakPolarHBondContact O-CB 3.44Å; Y36-H40 PolarHBondContact O-N 3.49Å; I37-H40 WeakPolarHBondContact O-CB 3.43Å; I37-H40 PolarHBondContact O-N 2.96Å; H40-N42 PolarHBondContact O-N 2.86Å; H40-A43 HydrophobicContact CB-CB 4.2Å; H40-A43 PolarHBondContact O-N 3.31Å; H40-A43 VanDerWaalsContact O-N 3.15Å
41	P	94.7	Very high	95.7	Very high	91 Å²	91	63 Å²	63	59%	0.591	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.9	-162.9	21.7	-34.3	0	0	0	114.2	I19	I19-P41 HydrophobicContact CD1-CG 4.03Å
42	N	92.6	Very high	95.1	Very high	116 Å²	116	58.5 Å²	58.5	62%	0.62	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	30.8	-177.3	-66.3	-36.6	0	0	0	112.1	H40 G44 K277	H40-N42 PolarHBondContact O-N 2.86Å; N42-G44 VanDerWaalsContact C-N 3.35Å; N42-G44 PolarHBondContact O-N 3.21Å; N42-K277 WeakPolarHBondContact O-CE 3.43Å; N42-K277 PolarHBondContact O-NZ 2.95Å
43	A	96	Very high	94.8	Very high	5 Å²	5	53.4 Å²	53.4	4%	0.041	28%	0.277	C	S	.	.			trans	-57.4	-47.1	-179	0	0	0	0	0	112.3	H40 W45 K277 I279	H40-A43 HydrophobicContact CB-CB 4.2Å; H40-A43 PolarHBondContact O-N 3.31Å; H40-A43 VanDerWaalsContact O-N 3.15Å; A43-W45 PolarHBondContact O-N 2.7Å; A43-K277 VanDerWaalsContact O-CE 3.23Å; A43-K277 WeakPolarHBondContact O-CE 3.38Å; A43-I279 HydrophobicContact CB-CD1 3.55Å
44	G	96.8	Very high	94.3	Very high	51 Å²	51	58 Å²	58	53%	0.526	30%	0.299	S	S	.	.			trans	80.9	-6.5	-175.1	0	0	0	0	0	114	N42 I275	N42-G44 VanDerWaalsContact C-N 3.35Å; N42-G44 PolarHBondContact O-N 3.21Å; G44-I275 CarbonylContact C-O 3.56Å; G44-I275 PolarHBondContact O-N 3.5Å
45	W	98.6	Very high	94	Very high	10 Å²	10	59.3 Å²	59.3	4%	0.038	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164.1	178.8	62.7	-81.7	0	0	0	111.3	I37 A43 A47 D267 Y271 S273 Y276 K277 I279	I37-W45 HydrophobicContact CB-CH2 4.47Å; I37-W45 HydrophobicContact CD1-CH2 3.45Å; I37-W45 VanDerWaalsContact CD1-CH2 3.45Å; I37-W45 HydrophobicContact CD1-CZ2 3.98Å; I37-W45 HydrophobicContact CD1-CZ3 4.16Å; I37-W45 HydrophobicContact CG1-CH2 4.02Å; I37-W45 HydrophobicContact CG1-CZ2 4.06Å; I37-W45 HydrophobicContact CG2-CD2 3.96Å; I37-W45 HydrophobicContact CG2-CE3 3.98Å; I37-W45 HydrophobicContact CG2-CH2 3.73Å; I37-W45 HydrophobicContact CG2-CZ2 3.68Å; I37-W45 HydrophobicContact CG2-CZ3 3.87Å; A43-W45 PolarHBondContact O-N 2.7Å; W45-A47 HydrophobicContact CE3-CB 4.47Å; W45-A47 HydrophobicContact CH2-CB 4.46Å; W45-A47 HydrophobicContact CZ3-CB 3.85Å; W45-D267 HydrophobicContact CH2-CB 3.97Å; W45-D267 WeakPolarHBondContact CH2-O 3.44Å; W45-D267 HydrophobicContact CZ2-CB 4.09Å; W45-Y271 HydrophobicContact CB-CD2 4.36Å; W45-Y271 HydrophobicContact CB-CE2 4.19Å; W45-Y271 HydrophobicContact CD2-CD2 4.38Å; W45-Y271 AromaticContact CE3-CD2 3.87Å; W45-Y271 HydrophobicContact CE3-CD2 3.87Å; W45-Y271 HydrophobicContact CZ3-CD2 4.49Å; W45-S273 CarbonylContact C-O 3.49Å; W45-S273 VanDerWaalsContact CA-O 3.23Å; W45-S273 WeakPolarHBondContact CA-O 3.36Å; W45-S273 VanDerWaalsContact CB-O 3.27Å; W45-S273 WeakPolarHBondContact CB-O 3.21Å; W45-Y276 HydrophobicContact CD2-CD2 4.03Å; W45-Y276 AromaticContact CE2-CD2 3.69Å; W45-Y276 HydrophobicContact CE3-CD2 4.44Å; W45-Y276 HydrophobicContact CG-CD2 4.46Å; W45-Y276 HydrophobicContact CH2-CD2 4.22Å; W45-Y276 HydrophobicContact CH2-CE2 4.14Å; W45-Y276 AromaticContact CZ2-CD2 3.81Å; W45-Y276 HydrophobicContact CZ2-CD2 3.81Å; W45-Y276 AromaticContact CZ2-CE2 3.75Å; W45-Y276 HydrophobicContact CZ2-CE2 3.75Å; W45-Y276 AromaticContact NE1-CD2 3.94Å; W45-K277 PolarHBondContact NE1-O 2.83Å; W45-I279 HydrophobicContact CZ2-CD1 4.47Å
46	R	98.3	Very high	93.8	Very high	139 Å²	139	58.4 Å²	58.4	53%	0.525	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.8	178.3	-67.3	-178.1	65.8	86.9	2.2	110.8	N38 K272 S273	N38-R46 WeakPolarHBondContact OD1-CA 2.97Å; R46-K272 PolarHBondContact O-N 2.85Å; R46-S273 PolarHBondContact N-O 3.21Å
47	A	98	Very high	93.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	143.9	175.9	0	0	0	0	0	111.1	I34 I37 N38 W45 N270	I34-A47 HydrophobicContact CB-CB 4.46Å; I34-A47 HydrophobicContact CG1-CB 4.47Å; I34-A47 HydrophobicContact CG2-CB 4.18Å; I34-A47 WeakPolarHBondContact CG2-O 3.29Å; I37-A47 HydrophobicContact CB-CB 3.89Å; I37-A47 HydrophobicContact CD1-CB 3.78Å; I37-A47 HydrophobicContact CG1-CB 4.47Å; I37-A47 HydrophobicContact CG2-CB 3.77Å; N38-A47 PolarHBondContact ND2-O 3.14Å; N38-A47 PolarHBondContact OD1-N 3.29Å; N38-A47 PolarHBondContact OD1-O 2.76Å; W45-A47 HydrophobicContact CE3-CB 4.47Å; W45-A47 HydrophobicContact CH2-CB 4.46Å; W45-A47 HydrophobicContact CZ3-CB 3.85Å; A47-N270 CarbonylContact C-O 3.59Å; A47-N270 VanDerWaalsContact CA-O 3.23Å; A47-N270 WeakPolarHBondContact CA-O 3.44Å; A47-N270 HydrophobicContact CB-CB 4.03Å
48	E	96.6	Very high	93	Very high	93 Å²	93	62.3 Å²	62.3	44%	0.435	32%	0.324	S	S	.	.			trans	-138.4	169.8	170.4	-71.5	-175.9	177.8	0	0	110.4	S50 N270 K272	E48-S50 PolarHBondContact O-N 3.15Å; E48-N270 PolarHBondContact N-O 2.79Å; E48-N270 WeakPolarHBondContact O-CB 3.46Å; E48-N270 PolarHBondContact O-ND2 3.24Å; E48-K272 HydrophobicContact CB-CB 4.14Å; E48-K272 HydrophobicContact CB-CG 4.44Å; E48-K272 HydrophobicContact CG-CB 4.04Å; E48-K272 HydrophobicContact CG-CG 4.1Å; E48-K272 WeakPolarHBondContact OE2-CG 3.42Å
49	K	94	Very high	92.8	Very high	143 Å²	143	59.7 Å²	59.7	62%	0.622	31%	0.31	S	S	*	.			trans	-60.1	124.1	174.9	-172.5	169.1	-174.5	165.7	0	109.4	I34 N51	I34-K49 HydrophobicContact CD1-CB 4.33Å; K49-N51 PolarHBondContact O-N 3.1Å
50	S	87.7	Confident	92.6	Very high	12 Å²	12	57.5 Å²	57.5	8%	0.084	30%	0.295	C	S	.	.			trans	-67.2	121.5	179.1	-162.4	0	0	0	0	109.7	E48 R52 F53 L269	E48-S50 PolarHBondContact O-N 3.15Å; S50-R52 VanDerWaalsContact C-N 3.25Å; S50-R52 PolarHBondContact OG-N 3.27Å; S50-F53 WeakPolarHBondContact OG-CD2 3.49Å; S50-F53 PolarHBondContact OG-N 3.45Å; S50-F53 VanDerWaalsContact OG-N 3.09Å; S50-L269 WeakPolarHBondContact CB-O 3.27Å; S50-L269 PolarHBondContact OG-O 3.15Å; S50-L269 VanDerWaalsContact OG-O 3.07Å
51	N	84.7	Confident	92.4	Very high	85 Å²	85	57.5 Å²	57.5	46%	0.455	30%	0.296	S	S	.	.	S	Bend	trans	-68.9	-35.7	160	-65.1	-35	0	0	0	108.5	K49 H197 T199	K49-N51 PolarHBondContact O-N 3.1Å; N51-H197 CarbonylContact C-O 3.04Å; N51-H197 VanDerWaalsContact C-O 3.29Å; N51-H197 CarbonylContact O-C 3.54Å; N51-H197 WeakPolarHBondContact O-CB 3.3Å; N51-T199 HydrophobicContact CB-CG2 3.95Å
52	R	86	Confident	92.3	Very high	10 Å²	10	53.2 Å²	53.2	4%	0.038	27%	0.268	C	S	.	.	S	Bend	trans	-68.4	-38.9	-172.1	-148	172.2	174.8	89	0.3	116.1	S50 D110 H197 W309 N310	S50-R52 VanDerWaalsContact C-N 3.25Å; S50-R52 PolarHBondContact OG-N 3.27Å; R52-D110 IonicContact CZ-OD1 3.6Å; R52-D110 IonicContact NH1-OD1 3.95Å; R52-D110 IonicContact NH1-OD2 3.77Å; R52-D110 IonicContact NH2-OD1 2.74Å; R52-D110 PolarHBondContact NH2-OD1 2.64Å; R52-H197 HydrophobicContact CB-CB 4.41Å; R52-H197 HydrophobicContact CG-CB 4.22Å; R52-H197 WeakPolarHBondContact CG-ND1 3.39Å; R52-H197 WeakPolarHBondContact O-CB 3.4Å; R52-H197 PolarHBondContact O-CD2 3.38Å; R52-W309 VanDerWaalsContact CZ-CA 3.47Å; R52-W309 VanDerWaalsContact NE-CB 3.32Å; R52-W309 VanDerWaalsContact NH1-C 3.25Å; R52-W309 PolarHBondContact NH1-O 2.86Å; R52-N310 PolarHBondContact NH1-ND2 3.22Å; R52-N310 VanDerWaalsContact NH1-ND2 3.15Å
53	F	89.9	Confident	92.3	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	24%	0.241	C	C	.	.			trans	-128.5	139.2	-168.6	-46.8	-65	0	0	0	111	L29 S50 A59 Q62 L269 W309	L29-F53 HydrophobicContact CD1-CB 3.89Å; L29-F53 HydrophobicContact CD2-CB 4.11Å; S50-F53 WeakPolarHBondContact OG-CD2 3.49Å; S50-F53 PolarHBondContact OG-N 3.45Å; S50-F53 VanDerWaalsContact OG-N 3.09Å; F53-A59 HydrophobicContact CD1-CB 3.9Å; F53-A59 HydrophobicContact CE1-CB 4.27Å; F53-A59 HydrophobicContact CG-CB 4.15Å; F53-Q62 HydrophobicContact CE1-CB 4.29Å; F53-L269 HydrophobicContact CD2-CB 3.86Å; F53-L269 HydrophobicContact CD2-CD2 3.9Å; F53-L269 HydrophobicContact CD2-CG 4.35Å; F53-L269 HydrophobicContact CE2-CB 4.43Å; F53-L269 HydrophobicContact CE2-CD2 3.9Å; F53-L269 HydrophobicContact CG-CD2 4.49Å; F53-L269 HydrophobicContact CZ-CD2 4.49Å; F53-W309 HydrophobicContact CE2-CE3 4.01Å; F53-W309 HydrophobicContact CE2-CH2 4.07Å; F53-W309 AromaticContact CE2-CZ3 3.69Å; F53-W309 HydrophobicContact CE2-CZ3 3.69Å; F53-W309 AromaticContact CZ-CD2 3.87Å; F53-W309 HydrophobicContact CZ-CD2 3.87Å; F53-W309 AromaticContact CZ-CE2 3.93Å; F53-W309 AromaticContact CZ-CE3 3.62Å; F53-W309 HydrophobicContact CZ-CE3 3.62Å; F53-W309 AromaticContact CZ-CH2 3.65Å; F53-W309 HydrophobicContact CZ-CH2 3.65Å; F53-W309 AromaticContact CZ-CZ2 3.85Å; F53-W309 HydrophobicContact CZ-CZ2 3.85Å; F53-W309 AromaticContact CZ-CZ3 3.52Å; F53-W309 HydrophobicContact CZ-CZ3 3.52Å
54	H	85.9	Confident	92.3	Very high	98 Å²	98	48.4 Å²	48.4	45%	0.454	24%	0.243	S	C	.	.	S	Bend	trans	-120.6	-16.4	173.1	-78.9	-4.3	0	0	0	113.4	H198	H54-H198 AromaticContact CD2-CD2 3.13Å; H54-H198 PolarHBondContact CD2-CD2 3.23Å; H54-H198 AromaticContact CD2-CE1 3.26Å; H54-H198 PolarHBondContact CD2-CE1 3.34Å; H54-H198 AromaticContact CD2-CG 3.07Å; H54-H198 AromaticContact CD2-ND1 3.15Å; H54-H198 PolarHBondContact CD2-ND1 3.42Å; H54-H198 AromaticContact CD2-NE2 3.28Å; H54-H198 PolarHBondContact CD2-NE2 3.1Å; H54-H198 VanDerWaalsContact CD2-NE2 3.28Å; H54-H198 WeakPolarHBondContact CE1-CB 3.41Å; H54-H198 AromaticContact CE1-CD2 3.65Å; H54-H198 AromaticContact CE1-CG 3.48Å; H54-H198 VanDerWaalsContact CE1-CG 3.48Å; H54-H198 AromaticContact CG-CD2 3.37Å; H54-H198 AromaticContact CG-CE1 4Å; H54-H198 AromaticContact CG-CG 3.76Å; H54-H198 AromaticContact CG-NE2 3.57Å; H54-H198 AromaticContact ND1-CD2 3.68Å; H54-H198 AromaticContact ND1-CG 3.97Å; H54-H198 WeakPolarHBondContact NE2-CB 3.5Å; H54-H198 AromaticContact NE2-CD2 3.38Å; H54-H198 PolarHBondContact NE2-CD2 3.36Å; H54-H198 AromaticContact NE2-CE1 3.9Å; H54-H198 AromaticContact NE2-CG 2.91Å; H54-H198 AromaticContact NE2-ND1 3.3Å; H54-H198 PolarHBondContact NE2-ND1 3.17Å; H54-H198 AromaticContact NE2-NE2 3.99Å
55	S	90.8	Very high	92.3	Very high	42 Å²	42	46.4 Å²	46.4	29%	0.294	22%	0.222	S	C	.	.	S	Bend	trans	-142.6	160.8	176.4	66	0	0	0	0	109.4	D57 D58 A59	S55-D57 PolarHBondContact O-N 2.86Å; S55-D58 PolarHBondContact N-OD2 3.28Å; S55-D58 PolarHBondContact O-N 3.38Å; S55-D58 PolarHBondContact OG-N 2.91Å; S55-D58 PolarHBondContact OG-OD2 3.28Å; S55-A59 PolarHBondContact O-N 3.46Å
56	L	92.6	Very high	92.2	Very high	37 Å²	37	51.9 Å²	51.9	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-29.9	170.8	-64.5	-173.6	0	0	0	111.8	P28 A59 R60 E266 L269 L284	P28-L56 HydrophobicContact CB-CD2 3.59Å; P28-L56 HydrophobicContact CB-CG 4.26Å; P28-L56 HydrophobicContact CG-CD1 4.18Å; P28-L56 HydrophobicContact CG-CD2 4.02Å; P28-L56 HydrophobicContact CG-CG 4.37Å; L56-A59 PolarHBondContact O-N 3.46Å; L56-R60 WeakPolarHBondContact O-CB 3.38Å; L56-R60 VanDerWaalsContact O-CG 3.27Å; L56-R60 WeakPolarHBondContact O-CG 3.48Å; L56-R60 PolarHBondContact O-N 3.16Å; L56-E266 HydrophobicContact CD2-CG 4.14Å; L56-L269 HydrophobicContact CD2-CD1 3.99Å; L56-L284 HydrophobicContact CD1-CD2 3.99Å; L56-L284 HydrophobicContact CD2-CD1 3.96Å; L56-L284 HydrophobicContact CD2-CD2 3.74Å; L56-L284 HydrophobicContact CG-CD2 4.31Å
57	D	91.4	Very high	92.1	Very high	103 Å²	103	52.3 Å²	52.3	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-69.8	-37.6	178.4	-66.6	-17.4	0	0	0	111.5	S55 A59 R60 I61	S55-D57 PolarHBondContact O-N 2.86Å; D57-A59 VanDerWaalsContact C-N 3.28Å; D57-A59 PolarHBondContact O-N 3.06Å; D57-R60 PolarHBondContact O-N 3.43Å; D57-R60 IonicContact OD1-NH1 3.97Å; D57-R60 PolarHBondContact OD1-NH1 3.37Å; D57-R60 VanDerWaalsContact OD1-NH1 3.07Å; D57-I61 WeakPolarHBondContact O-CG1 3.34Å; D57-I61 WeakPolarHBondContact O-CG2 3.37Å; D57-I61 PolarHBondContact O-N 3.29Å; D57-I61 VanDerWaalsContact O-N 3.13Å
58	D	88	Confident	92.1	Very high	23 Å²	23	52.5 Å²	52.5	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-37.1	172	-69	-49	0	0	0	112.2	S55 I61 Q62 R113	S55-D58 PolarHBondContact N-OD2 3.28Å; S55-D58 PolarHBondContact O-N 3.38Å; S55-D58 PolarHBondContact OG-N 2.91Å; S55-D58 PolarHBondContact OG-OD2 3.28Å; D58-I61 WeakPolarHBondContact O-CG1 3.41Å; D58-Q62 WeakPolarHBondContact O-CG 3.33Å; D58-Q62 PolarHBondContact O-NE2 2.9Å; D58-R113 IonicContact OD1-CZ 3.35Å; D58-R113 IonicContact OD1-NH1 2.79Å; D58-R113 PolarHBondContact OD1-NH1 3.18Å; D58-R113 IonicContact OD1-NH2 3.5Å; D58-R113 PolarHBondContact OD1-NH2 2.8Å
59	A	92.4	Very high	92.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-69.2	-48.6	174.9	0	0	0	0	0	111.3	F53 S55 L56 D57 I61 Q62 M63 L269	F53-A59 HydrophobicContact CD1-CB 3.9Å; F53-A59 HydrophobicContact CE1-CB 4.27Å; F53-A59 HydrophobicContact CG-CB 4.15Å; S55-A59 PolarHBondContact O-N 3.46Å; L56-A59 PolarHBondContact O-N 3.46Å; D57-A59 VanDerWaalsContact C-N 3.28Å; D57-A59 PolarHBondContact O-N 3.06Å; A59-I61 PolarHBondContact O-N 3.17Å; A59-Q62 CarbonylContact O-C 3.22Å; A59-Q62 WeakPolarHBondContact O-CA 3.44Å; A59-Q62 PolarHBondContact O-N 2.86Å; A59-M63 HydrophobicContact CB-CE 4.34Å; A59-M63 PolarHBondContact O-N 3.5Å; A59-L269 HydrophobicContact CB-CD1 3.63Å; A59-L269 HydrophobicContact CB-CD2 3.65Å; A59-L269 HydrophobicContact CB-CG 4.31Å
60	R	93.8	Very high	92.2	Very high	110 Å²	110	49.8 Å²	49.8	42%	0.415	24%	0.242	S	C	.	.	H	α-helix	trans	-58.9	-41.4	-176.2	-76.1	176.9	-171.3	124.9	1.8	113.2	L56 D57 Q62 M63	L56-R60 WeakPolarHBondContact O-CB 3.38Å; L56-R60 VanDerWaalsContact O-CG 3.27Å; L56-R60 WeakPolarHBondContact O-CG 3.48Å; L56-R60 PolarHBondContact O-N 3.16Å; D57-R60 PolarHBondContact O-N 3.43Å; D57-R60 IonicContact OD1-NH1 3.97Å; D57-R60 PolarHBondContact OD1-NH1 3.37Å; D57-R60 VanDerWaalsContact OD1-NH1 3.07Å; R60-Q62 PolarHBondContact O-N 3.17Å; R60-M63 HydrophobicContact CB-CE 4.49Å; R60-M63 HydrophobicContact CG-CE 4.16Å; R60-M63 PolarHBondContact O-N 3.09Å; R60-M63 VanDerWaalsContact O-O 3.13Å
61	I	92.6	Very high	92.6	Very high	37 Å²	37	52.3 Å²	52.3	19%	0.19	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-9.8	178.2	68.7	173.6	0	0	0	113.6	D57 D58 A59 R113 C114 G115 I210	D57-I61 WeakPolarHBondContact O-CG1 3.34Å; D57-I61 WeakPolarHBondContact O-CG2 3.37Å; D57-I61 PolarHBondContact O-N 3.29Å; D57-I61 VanDerWaalsContact O-N 3.13Å; D58-I61 WeakPolarHBondContact O-CG1 3.41Å; A59-I61 PolarHBondContact O-N 3.17Å; I61-R113 HydrophobicContact CD1-CB 4.08Å; I61-R113 HydrophobicContact CD1-CG 4.41Å; I61-R113 VanDerWaalsContact CD1-CZ 3.43Å; I61-R113 VanDerWaalsContact CD1-NH2 3.29Å; I61-C114 CarbonylContact O-C 3.52Å; I61-G115 WeakPolarHBondContact O-CA 3.06Å; I61-G115 PolarHBondContact O-N 2.94Å; I61-I210 HydrophobicContact CD1-CG1 4.2Å
62	Q	91.6	Very high	93.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	9.8	176.2	-62.9	-177	71.1	0	0	112.1	F53 D58 A59 R60 Q111 H197 W309	F53-Q62 HydrophobicContact CE1-CB 4.29Å; D58-Q62 WeakPolarHBondContact O-CG 3.33Å; D58-Q62 PolarHBondContact O-NE2 2.9Å; A59-Q62 CarbonylContact O-C 3.22Å; A59-Q62 WeakPolarHBondContact O-CA 3.44Å; A59-Q62 PolarHBondContact O-N 2.86Å; R60-Q62 PolarHBondContact O-N 3.17Å; Q62-Q111 VanDerWaalsContact C-NE2 3.29Å; Q62-Q111 PolarHBondContact O-NE2 3.45Å; Q62-H197 PolarHBondContact NE2-NE2 3.02Å; Q62-H197 PolarHBondContact OE1-CE1 2.94Å; Q62-H197 PolarHBondContact OE1-NE2 3.07Å; Q62-W309 PolarHBondContact O-NE1 3.27Å; Q62-W309 VanDerWaalsContact O-NE1 3.12Å
63	M	92.8	Very high	93.8	Very high	11 Å²	11	52.6 Å²	52.6	5%	0.054	26%	0.255	C	S	.	.			trans	-118.7	164.2	168.2	-63.8	-178	-68.5	0	0	108.2	A59 R60 G115 V264 L284 H287 W309	A59-M63 HydrophobicContact CB-CE 4.34Å; A59-M63 PolarHBondContact O-N 3.5Å; R60-M63 HydrophobicContact CB-CE 4.49Å; R60-M63 HydrophobicContact CG-CE 4.16Å; R60-M63 PolarHBondContact O-N 3.09Å; R60-M63 VanDerWaalsContact O-O 3.13Å; M63-G115 WeakPolarHBondContact O-CA 3.04Å; M63-V264 HydrophobicContact SD-CB 3.43Å; M63-V264 WeakPolarHBondContact SD-CB 3.29Å; M63-V264 HydrophobicContact SD-CG1 3.67Å; M63-V264 HydrophobicContact SD-CG2 3.51Å; M63-V264 VanDerWaalsContact SD-CG2 3.51Å; M63-L284 HydrophobicContact CE-CB 3.78Å; M63-H287 HydrophobicContact CG-CB 4.15Å; M63-H287 HydrophobicContact SD-CB 4.45Å; M63-W309 HydrophobicContact CG-CZ2 4.22Å
64	G	95	Very high	94.1	Very high	9 Å²	9	59.5 Å²	59.5	9%	0.093	28%	0.281	C	S	.	.			trans	176.2	24.4	-173.5	0	0	0	0	0	114.8	G115 C117 W118 G160 G161 G286	G64-G115 WeakPolarHBondContact CA-O 3.36Å; G64-C117 VanDerWaalsContact C-SG 3.51Å; G64-C117 PolarHBondContact N-SG 3.24Å; G64-W118 VanDerWaalsContact O-CD1 3.26Å; G64-G160 CarbonylContact O-C 3.53Å; G64-G160 WeakPolarHBondContact O-CA 3.45Å; G64-G161 PolarHBondContact O-N 2.99Å; G64-G286 PolarHBondContact N-O 3.37Å
65	A	97.5	Very high	94.6	Very high	9 Å²	9	62 Å²	62	7%	0.074	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-95.2	129.8	171.5	0	0	0	0	0	109.6	C117 L163 G286 A288	A65-C117 PolarHBondContact N-SG 2.81Å; A65-C117 VanDerWaalsContact N-SG 3.44Å; A65-L163 HydrophobicContact CB-CD1 3.96Å; A65-G286 PolarHBondContact N-O 3.45Å; A65-G286 CarbonylContact O-C 3.52Å; A65-G286 WeakPolarHBondContact O-CA 3.47Å; A65-A288 HydrophobicContact CB-CB 3.92Å
66	R	97.1	Very high	95	Very high	125 Å²	125	65.5 Å²	65.5	47%	0.472	30%	0.297	S	S	.	.			trans	-117.5	141	171.9	-55.3	-177.1	-166.7	-163.9	2.9	108.1	E159 G161 I162	R66-E159 PolarHBondContact NH2-O 2.76Å; R66-G161 PolarHBondContact N-O 2.79Å; R66-I162 HydrophobicContact CB-CG1 4.5Å
67	R	95.7	Very high	95.2	Very high	148 Å²	148	64.1 Å²	64.1	56%	0.558	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-62	139	177.9	-63.2	-169.4	-176.8	138.5	-0.4	110.7	F329 E333	R67-F329 VanDerWaalsContact NH2-CE2 3.34Å; R67-E333 WeakPolarHBondContact CA-OE1 3.37Å; R67-E333 WeakPolarHBondContact CA-OE2 3.22Å; R67-E333 WeakPolarHBondContact CG-OE2 3.49Å
68	E	97.3	Very high	95.5	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.019	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-71.8	140.9	169.3	-166.6	167.4	-157.7	0	0	108.6	L72 R73 R76 R77 I162 E333	E68-L72 HydrophobicContact CG-CB 4.48Å; E68-R73 HydrophobicContact CB-CB 4.08Å; E68-R73 HydrophobicContact CG-CB 3.95Å; E68-R76 VanDerWaalsContact OE1-CD 3.23Å; E68-R76 WeakPolarHBondContact OE1-CD 3.22Å; E68-R76 IonicContact OE1-CZ 3.51Å; E68-R76 IonicContact OE1-NE 2.6Å; E68-R76 IonicContact OE1-NH1 3.91Å; E68-R76 PolarHBondContact OE1-NH1 3.37Å; E68-R77 IonicContact OE1-NH2 3.82Å; E68-R77 PolarHBondContact OE1-NH2 2.72Å; E68-R77 IonicContact OE2-NE 2.86Å; E68-R77 IonicContact OE2-NH2 3.52Å; E68-I162 HydrophobicContact CB-CG2 3.47Å; E68-I162 VanDerWaalsContact CB-CG2 3.47Å; E68-I162 HydrophobicContact CG-CG2 3.85Å; E68-E333 PolarHBondContact N-OE1 3.45Å
69	E	96.8	Very high	96	Very high	87 Å²	87	65.9 Å²	65.9	41%	0.407	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-57.7	127.4	174.5	-170.2	-73.1	128.3	0	0	108.9	D71 L72 R73	E69-D71 VanDerWaalsContact C-N 3.31Å; E69-D71 VanDerWaalsContact CD-N 3.29Å; E69-D71 PolarHBondContact O-N 2.74Å; E69-D71 WeakPolarHBondContact OE1-CB 3.48Å; E69-D71 PolarHBondContact OE1-N 3.33Å; E69-D71 WeakPolarHBondContact OE2-CA 3.37Å; E69-D71 VanDerWaalsContact OE2-CB 3.26Å; E69-D71 WeakPolarHBondContact OE2-CB 3.48Å; E69-D71 PolarHBondContact OE2-N 2.75Å; E69-D71 VanDerWaalsContact OE2-N 3.07Å; E69-L72 HydrophobicContact CB-CB 4.31Å; E69-L72 HydrophobicContact CB-CD1 4.07Å; E69-L72 HydrophobicContact CB-CG 4.22Å; E69-L72 WeakPolarHBondContact O-CB 3.24Å; E69-L72 PolarHBondContact O-N 2.76Å; E69-L72 WeakPolarHBondContact OE2-CG 3.38Å; E69-L72 PolarHBondContact OE2-N 3.38Å; E69-R73 PolarHBondContact O-N 3.18Å
70	P	96.5	Very high	96.3	Very high	92 Å²	92	67.5 Å²	67.5	60%	0.597	32%	0.316	S	S	*	.	H	α-helix	trans	-56.5	-37.5	-169	-30.3	36	0	0	0	115.2	R74	P70-R74 WeakPolarHBondContact O-CB 3.36Å; P70-R74 PolarHBondContact O-N 2.88Å; P70-R74 VanDerWaalsContact O-N 3.08Å
71	D	96.9	Very high	96.6	Very high	66 Å²	66	65 Å²	65	35%	0.353	31%	0.31	S	S	.	.	H	α-helix	trans	-69.5	-40.6	177	-80	-9.5	0	0	0	112.1	E69 R74 K75	E69-D71 VanDerWaalsContact C-N 3.31Å; E69-D71 VanDerWaalsContact CD-N 3.29Å; E69-D71 PolarHBondContact O-N 2.74Å; E69-D71 WeakPolarHBondContact OE1-CB 3.48Å; E69-D71 PolarHBondContact OE1-N 3.33Å; E69-D71 WeakPolarHBondContact OE2-CA 3.37Å; E69-D71 VanDerWaalsContact OE2-CB 3.26Å; E69-D71 WeakPolarHBondContact OE2-CB 3.48Å; E69-D71 PolarHBondContact OE2-N 2.75Å; E69-D71 VanDerWaalsContact OE2-N 3.07Å; D71-R74 PolarHBondContact O-N 2.61Å; D71-R74 IonicContact OD1-CZ 3.19Å; D71-R74 IonicContact OD1-NH1 2.74Å; D71-R74 PolarHBondContact OD1-NH1 3.34Å; D71-R74 IonicContact OD1-NH2 2.74Å; D71-R74 PolarHBondContact OD1-NH2 3.22Å; D71-K75 WeakPolarHBondContact O-CB 3.48Å; D71-K75 WeakPolarHBondContact O-CD 3.42Å; D71-K75 WeakPolarHBondContact O-CG 3.32Å; D71-K75 PolarHBondContact O-N 3.39Å
72	L	97.1	Very high	96.8	Very high	72 Å²	72	64.5 Å²	64.5	38%	0.377	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-46.6	173.2	-68.2	-178.1	0	0	0	111.1	E68 E69 R74 K75 R76	E68-L72 HydrophobicContact CG-CB 4.48Å; E69-L72 HydrophobicContact CB-CB 4.31Å; E69-L72 HydrophobicContact CB-CD1 4.07Å; E69-L72 HydrophobicContact CB-CG 4.22Å; E69-L72 WeakPolarHBondContact O-CB 3.24Å; E69-L72 PolarHBondContact O-N 2.76Å; E69-L72 WeakPolarHBondContact OE2-CG 3.38Å; E69-L72 PolarHBondContact OE2-N 3.38Å; L72-R74 VanDerWaalsContact C-N 3.28Å; L72-R74 PolarHBondContact O-N 2.93Å; L72-K75 PolarHBondContact O-N 2.8Å; L72-R76 VanDerWaalsContact O-CB 3.29Å; L72-R76 WeakPolarHBondContact O-CB 3.36Å; L72-R76 VanDerWaalsContact O-CG 3.26Å; L72-R76 WeakPolarHBondContact O-CG 3.32Å; L72-R76 PolarHBondContact O-N 2.86Å
73	R	97.7	Very high	97	Very high	28 Å²	28	68.7 Å²	68.7	11%	0.106	33%	0.33	C	S	.	.	H	α-helix	trans	-55.9	-43.5	177.4	-177.2	175.9	169.8	83.5	0.8	111.5	E68 E69 N240 V334	E68-R73 HydrophobicContact CB-CB 4.08Å; E68-R73 HydrophobicContact CG-CB 3.95Å; E69-R73 PolarHBondContact O-N 3.18Å; R73-N240 WeakPolarHBondContact CG-OD1 3.33Å; R73-N240 PolarHBondContact NH1-OD1 3.22Å; R73-N240 VanDerWaalsContact NH1-OD1 3.16Å; R73-N240 PolarHBondContact NH2-OD1 2.82Å; R73-N240 PolarHBondContact O-ND2 3.38Å; R73-V334 PolarHBondContact NH2-O 3.4Å
74	R	96.8	Very high	97.2	Very high	147 Å²	147	77.4 Å²	77.4	56%	0.555	37%	0.371	S	S	*	.	H	α-helix	trans	-70.8	-36.9	179.2	-173.5	176.4	69.3	-103.7	2.1	113.1	P70 D71 L72	P70-R74 WeakPolarHBondContact O-CB 3.36Å; P70-R74 PolarHBondContact O-N 2.88Å; P70-R74 VanDerWaalsContact O-N 3.08Å; D71-R74 PolarHBondContact O-N 2.61Å; D71-R74 IonicContact OD1-CZ 3.19Å; D71-R74 IonicContact OD1-NH1 2.74Å; D71-R74 PolarHBondContact OD1-NH1 3.34Å; D71-R74 IonicContact OD1-NH2 2.74Å; D71-R74 PolarHBondContact OD1-NH2 3.22Å; L72-R74 VanDerWaalsContact C-N 3.28Å; L72-R74 PolarHBondContact O-N 2.93Å
75	K	97.2	Very high	97.2	Very high	150 Å²	150	80.8 Å²	80.8	65%	0.652	38%	0.38	S	S	*	.	H	α-helix	trans	-85.7	-31.1	-174.7	-71.5	169.8	-175.8	166	0	113.7	D71 L72	D71-K75 WeakPolarHBondContact O-CB 3.48Å; D71-K75 WeakPolarHBondContact O-CD 3.42Å; D71-K75 WeakPolarHBondContact O-CG 3.32Å; D71-K75 PolarHBondContact O-N 3.39Å; L72-K75 PolarHBondContact O-N 2.8Å
76	R	97.4	Very high	97.1	Very high	116 Å²	116	87.4 Å²	87.4	44%	0.438	42%	0.415	S	S	.	.	H	α-helix	trans	-73.1	-31.1	-174.1	-78.3	172.6	172	173.2	-4.6	113.8	E68 L72	E68-R76 VanDerWaalsContact OE1-CD 3.23Å; E68-R76 WeakPolarHBondContact OE1-CD 3.22Å; E68-R76 IonicContact OE1-CZ 3.51Å; E68-R76 IonicContact OE1-NE 2.6Å; E68-R76 IonicContact OE1-NH1 3.91Å; E68-R76 PolarHBondContact OE1-NH1 3.37Å; L72-R76 VanDerWaalsContact O-CB 3.29Å; L72-R76 WeakPolarHBondContact O-CB 3.36Å; L72-R76 VanDerWaalsContact O-CG 3.26Å; L72-R76 WeakPolarHBondContact O-CG 3.32Å; L72-R76 PolarHBondContact O-N 2.86Å
77	R	97.8	Very high	97.2	Very high	9 Å²	9	84 Å²	84	3%	0.034	41%	0.407	C	S	.	.	S	Bend	trans	-151.7	154.9	-173.1	74.8	-163	88.7	-118.7	-8.5	111.3	E68 G164 D168 N240	E68-R77 IonicContact OE1-NH2 3.82Å; E68-R77 PolarHBondContact OE1-NH2 2.72Å; E68-R77 IonicContact OE2-NE 2.86Å; E68-R77 IonicContact OE2-NH2 3.52Å; R77-G164 VanDerWaalsContact CZ-CA 3.42Å; R77-G164 VanDerWaalsContact CZ-O 3.29Å; R77-G164 VanDerWaalsContact NH1-C 3.33Å; R77-G164 PolarHBondContact NH1-O 2.76Å; R77-G164 PolarHBondContact NH2-O 2.92Å; R77-D168 IonicContact CZ-OD1 2.95Å; R77-D168 IonicContact CZ-OD2 3.36Å; R77-D168 IonicContact NH1-OD1 3.92Å; R77-D168 PolarHBondContact NH1-OD1 2.92Å; R77-D168 IonicContact NH1-OD2 2.72Å; R77-D168 PolarHBondContact NH1-OD2 2.66Å; R77-D168 IonicContact NH2-OD1 3.17Å; R77-D168 IonicContact NH2-OD2 3.83Å; R77-D168 PolarHBondContact NH2-OD2 2.99Å; R77-N240 VanDerWaalsContact CD-OD1 3.24Å; R77-N240 WeakPolarHBondContact CD-OD1 3.42Å; R77-N240 WeakPolarHBondContact CG-ND2 3.13Å
78	P	98.3	Very high	97.2	Very high	87 Å²	87	85.5 Å²	85.5	57%	0.565	42%	0.421	S	S	*	.			trans	-67.2	163.7	175.3	28.4	-33	0	0	0	111.5	Y239 N240	P78-Y239 WeakPolarHBondContact O-CA 3.27Å; P78-Y239 WeakPolarHBondContact O-CB 3.35Å; P78-N240 PolarHBondContact O-N 3.16Å
79	T	98.7	Very high	97.3	Very high	76 Å²	76	87.2 Å²	87.2	47%	0.466	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.5	171.4	-56.6	0	0	0	0	108.7	N240 K242	T79-N240 CarbonylContact C-O 3.53Å; T79-N240 WeakPolarHBondContact CA-O 3.39Å; T79-N240 HydrophobicContact CG2-CB 4.09Å; T79-N240 PolarHBondContact OG1-ND2 3.4Å; T79-K242 HydrophobicContact CG2-CB 4.08Å
80	V	98.6	Very high	97.4	Very high	34 Å²	34	85.5 Å²	85.5	21%	0.206	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	143.2	178.1	-56.5	0	0	0	0	110.6	Y239 N240 V241 K242	V80-Y239 HydrophobicContact CB-CD2 4.32Å; V80-Y239 HydrophobicContact CG1-CD2 3.79Å; V80-Y239 HydrophobicContact CG1-CE2 4.28Å; V80-Y239 HydrophobicContact CG1-CG 3.95Å; V80-Y239 HydrophobicContact CG2-CD2 3.54Å; V80-Y239 HydrophobicContact CG2-CE2 3.7Å; V80-N240 PolarHBondContact N-O 2.91Å; V80-V241 HydrophobicContact CG2-CG2 4.18Å; V80-K242 PolarHBondContact O-N 2.99Å
81	D	98.2	Very high	97.5	Very high	57 Å²	57	85.1 Å²	85.1	31%	0.305	43%	0.426	S	S	.	.			trans	-124.5	-15.8	177.7	62.8	22.4	0	0	0	113.8	N83 K242 A247	D81-N83 PolarHBondContact O-N 3.05Å; D81-N83 WeakPolarHBondContact OD1-CB 3.27Å; D81-N83 PolarHBondContact OD1-N 3.49Å; D81-N83 PolarHBondContact OD2-ND2 3.36Å; D81-K242 HydrophobicContact CB-CB 4.12Å; D81-K242 HydrophobicContact CB-CD 3.76Å; D81-A247 VanDerWaalsContact O-CB 3.32Å; D81-A247 WeakPolarHBondContact O-CB 3.46Å
82	H	97.9	Very high	97.5	Very high	28 Å²	28	85.9 Å²	85.9	13%	0.13	43%	0.43	C	S	.	.			trans	54.1	31.4	-175.8	-55.9	-62.1	0	0	0	113.9	E84 W85 K250 E251 Y255	H82-E84 PolarHBondContact O-N 3.48Å; H82-W85 PolarHBondContact O-N 3.42Å; H82-K250 HydrophobicContact CB-CB 3.88Å; H82-K250 HydrophobicContact CB-CD 3.63Å; H82-K250 HydrophobicContact CB-CG 4.42Å; H82-K250 WeakPolarHBondContact O-CD 3.47Å; H82-K250 PolarHBondContact O-NZ 2.89Å; H82-E251 IonicContact CD2-OE2 3.09Å; H82-E251 IonicContact CE1-OE2 2.75Å; H82-E251 PolarHBondContact CE1-OE2 3.43Å; H82-E251 IonicContact NE2-OE2 3.7Å; H82-E251 PolarHBondContact NE2-OE2 3.38Å; H82-Y255 AromaticContact CE1-CE2 3.68Å
83	N	96.1	Very high	97.6	Very high	88 Å²	88	83.6 Å²	83.6	47%	0.471	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-36.9	-179.1	-83.1	-30.9	0	0	0	113	D81 W85	D81-N83 PolarHBondContact O-N 3.05Å; D81-N83 WeakPolarHBondContact OD1-CB 3.27Å; D81-N83 PolarHBondContact OD1-N 3.49Å; D81-N83 PolarHBondContact OD2-ND2 3.36Å; N83-W85 PolarHBondContact O-N 3.31Å
84	E	95.6	Very high	97.7	Very high	194 Å²	194	83.4 Å²	83.4	91%	0.907	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.6	-179.9	-61.4	-176.8	166.6	0	0	113.3	H82 N86	H82-E84 PolarHBondContact O-N 3.48Å; E84-N86 PolarHBondContact O-N 3.46Å
85	W	96.6	Very high	97.8	Very high	79 Å²	79	76.4 Å²	76.4	30%	0.299	39%	0.392	S	S	.	.			trans	-93.2	91.1	179.1	-176.1	36.9	0	0	0	110.7	H82 N83 V87 K250 M253 K254	H82-W85 PolarHBondContact O-N 3.42Å; N83-W85 PolarHBondContact O-N 3.31Å; W85-V87 HydrophobicContact CD2-CB 4.21Å; W85-V87 HydrophobicContact CD2-CG1 3.66Å; W85-V87 HydrophobicContact CE3-CG1 3.86Å; W85-V87 HydrophobicContact CG-CG1 4.25Å; W85-V87 HydrophobicContact CH2-CG1 3.94Å; W85-V87 HydrophobicContact CH2-CG2 4.47Å; W85-V87 HydrophobicContact CZ2-CB 3.93Å; W85-V87 HydrophobicContact CZ2-CG1 3.76Å; W85-V87 HydrophobicContact CZ2-CG2 3.85Å; W85-V87 HydrophobicContact CZ3-CG1 3.98Å; W85-V87 PolarHBondContact O-N 3.22Å; W85-K250 HydrophobicContact CE3-CB 3.96Å; W85-K250 HydrophobicContact CE3-CD 4.2Å; W85-K250 HydrophobicContact CE3-CG 4.1Å; W85-K250 HydrophobicContact CZ3-CB 3.8Å; W85-K250 HydrophobicContact CZ3-CG 4.12Å; W85-K250 WeakPolarHBondContact CZ3-O 3.35Å; W85-K250 WeakPolarHBondContact O-CE 3.3Å; W85-K250 PolarHBondContact O-NZ 2.86Å; W85-M253 HydrophobicContact CH2-CE 3.6Å; W85-M253 HydrophobicContact CH2-CG 4.25Å; W85-M253 HydrophobicContact CZ2-CE 4.31Å; W85-M253 HydrophobicContact CZ3-CE 3.89Å; W85-K254 HydrophobicContact CD2-CD 4.31Å; W85-K254 HydrophobicContact CE3-CD 3.9Å; W85-K254 HydrophobicContact CH2-CB 3.65Å; W85-K254 HydrophobicContact CH2-CD 3.75Å; W85-K254 HydrophobicContact CH2-CG 3.99Å; W85-K254 HydrophobicContact CZ2-CD 4.15Å; W85-K254 HydrophobicContact CZ3-CB 3.64Å; W85-K254 HydrophobicContact CZ3-CD 3.61Å; W85-K254 HydrophobicContact CZ3-CG 4.13Å
86	N	95.5	Very high	97.9	Very high	148 Å²	148	73 Å²	73	79%	0.791	38%	0.375	S	S	*	.			trans	-78.2	104.8	174.3	-71.6	-38.6	0	0	0	110.3	E84	E84-N86 PolarHBondContact O-N 3.46Å
87	V	97.4	Very high	97.9	Very high	53 Å²	53	75.7 Å²	75.7	32%	0.321	39%	0.39	S	S	.	.			trans	-139.9	143.1	-177.6	58.9	0	0	0	0	109.2	W85 I89 K250 M253	W85-V87 HydrophobicContact CD2-CB 4.21Å; W85-V87 HydrophobicContact CD2-CG1 3.66Å; W85-V87 HydrophobicContact CE3-CG1 3.86Å; W85-V87 HydrophobicContact CG-CG1 4.25Å; W85-V87 HydrophobicContact CH2-CG1 3.94Å; W85-V87 HydrophobicContact CH2-CG2 4.47Å; W85-V87 HydrophobicContact CZ2-CB 3.93Å; W85-V87 HydrophobicContact CZ2-CG1 3.76Å; W85-V87 HydrophobicContact CZ2-CG2 3.85Å; W85-V87 HydrophobicContact CZ3-CG1 3.98Å; W85-V87 PolarHBondContact O-N 3.22Å; V87-I89 PolarHBondContact O-N 3.42Å; V87-K250 HydrophobicContact CG1-CD 4.34Å; V87-K250 HydrophobicContact CG1-CG 4.1Å; V87-M253 HydrophobicContact CB-CE 4.2Å; V87-M253 HydrophobicContact CG1-CE 3.29Å; V87-M253 HydrophobicContact CG2-CE 3.82Å
88	E	97.6	Very high	97.9	Very high	181 Å²	181	80.3 Å²	80.3	85%	0.846	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-70.9	121.7	171.3	-170.7	-178.3	165.8	0	0	109.6
89	I	98.5	Very high	98	Very high	39 Å²	39	78.2 Å²	78.2	20%	0.2	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-89.9	121	178.9	-58.6	174.6	0	0	0	107.7	V87 K246 Q249 K250 M253 W294	V87-I89 PolarHBondContact O-N 3.42Å; I89-K246 HydrophobicContact CD1-CB 3.93Å; I89-K246 HydrophobicContact CD1-CG 4.07Å; I89-Q249 HydrophobicContact CD1-CB 4.13Å; I89-Q249 HydrophobicContact CG2-CB 3.8Å; I89-Q249 HydrophobicContact CG2-CG 4.2Å; I89-K250 HydrophobicContact CD1-CG 3.99Å; I89-K250 HydrophobicContact CG1-CG 4.34Å; I89-M253 HydrophobicContact CG1-CE 4Å; I89-M253 HydrophobicContact CG2-SD 4.47Å; I89-W294 HydrophobicContact CG2-CH2 4.33Å; I89-W294 HydrophobicContact CG2-CZ2 3.51Å
90	P	98.5	Very high	97.9	Very high	52 Å²	52	78.7 Å²	78.7	34%	0.338	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-64.7	148.5	179.5	28.5	-35.7	0	0	0	110.8	N92 F93 W294	P90-N92 PolarHBondContact O-N 3.39Å; P90-F93 HydrophobicContact CG-CB 4.38Å; P90-F93 HydrophobicContact CG-CD2 4.33Å; P90-W294 HydrophobicContact CG-CZ2 4.13Å; P90-W294 PolarHBondContact O-NE1 3.14Å
91	S	98	Very high	97.9	Very high	84 Å²	84	79.4 Å²	79.4	59%	0.587	41%	0.409	S	S	*	.	S	Bend	trans	-63.3	-25.8	178.9	59.6	0	0	0	0	113.5
92	N	98.7	Very high	97.9	Very high	81 Å²	81	77.2 Å²	77.2	43%	0.433	40%	0.398	S	S	.	.			trans	-135.6	138	177.1	-62.3	-92.9	0	0	0	109.8	P90 W294 G295 V296	P90-N92 PolarHBondContact O-N 3.39Å; N92-W294 WeakPolarHBondContact CA-O 3.49Å; N92-G295 WeakPolarHBondContact OD1-CA 3.49Å; N92-V296 PolarHBondContact OD1-N 3.21Å
93	F	98.9	Very high	97.9	Very high	24 Å²	24	82.5 Å²	82.5	11%	0.105	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	136.2	178	-176.9	-89.6	0	0	0	109.9	P90 S95 K98 W99 I252 M253 G293 W294	P90-F93 HydrophobicContact CG-CB 4.38Å; P90-F93 HydrophobicContact CG-CD2 4.33Å; F93-S95 WeakPolarHBondContact CE1-OG 3.08Å; F93-K98 HydrophobicContact CE2-CB 4.22Å; F93-K98 HydrophobicContact CE2-CD 3.53Å; F93-K98 HydrophobicContact CE2-CG 4.49Å; F93-K98 HydrophobicContact CZ-CB 4.05Å; F93-K98 HydrophobicContact CZ-CD 3.61Å; F93-K98 HydrophobicContact CZ-CG 4.44Å; F93-W99 HydrophobicContact CE1-CZ3 4.13Å; F93-W99 AromaticContact CZ-CH2 3.91Å; F93-W99 HydrophobicContact CZ-CH2 3.91Å; F93-W99 AromaticContact CZ-CZ3 3.71Å; F93-W99 HydrophobicContact CZ-CZ3 3.71Å; F93-I252 HydrophobicContact CD1-CG2 4.02Å; F93-I252 HydrophobicContact CE1-CG2 3.76Å; F93-M253 HydrophobicContact CD2-CB 3.86Å; F93-M253 HydrophobicContact CE1-CB 4.33Å; F93-M253 HydrophobicContact CE2-CB 3.5Å; F93-M253 VanDerWaalsContact CE2-CB 3.5Å; F93-M253 HydrophobicContact CG-CB 4.4Å; F93-M253 VanDerWaalsContact CZ-CA 3.48Å; F93-M253 HydrophobicContact CZ-CB 3.79Å; F93-G293 CarbonylContact O-C 3.5Å; F93-G293 WeakPolarHBondContact O-CA 3.36Å; F93-W294 HydrophobicContact CB-CD2 3.66Å; F93-W294 VanDerWaalsContact CB-CE2 3.4Å; F93-W294 HydrophobicContact CB-CE3 3.8Å; F93-W294 HydrophobicContact CB-CG 4.44Å; F93-W294 HydrophobicContact CB-CH2 3.59Å; F93-W294 HydrophobicContact CB-CZ2 3.38Å; F93-W294 HydrophobicContact CB-CZ3 3.75Å; F93-W294 HydrophobicContact CD1-CE3 4.12Å; F93-W294 AromaticContact CD1-CH2 4Å; F93-W294 HydrophobicContact CD1-CH2 4Å; F93-W294 AromaticContact CD1-CZ3 3.66Å; F93-W294 HydrophobicContact CD1-CZ3 3.66Å; F93-W294 HydrophobicContact CD2-CH2 4.24Å; F93-W294 HydrophobicContact CD2-CZ2 4.48Å; F93-W294 HydrophobicContact CE1-CZ3 4.49Å; F93-W294 HydrophobicContact CG-CE3 4.26Å; F93-W294 AromaticContact CG-CH2 3.68Å; F93-W294 HydrophobicContact CG-CH2 3.68Å; F93-W294 AromaticContact CG-CZ2 3.96Å; F93-W294 HydrophobicContact CG-CZ2 3.96Å; F93-W294 AromaticContact CG-CZ3 3.8Å; F93-W294 HydrophobicContact CG-CZ3 3.8Å; F93-W294 PolarHBondContact N-O 3.4Å; F93-W294 PolarHBondContact O-N 2.86Å; F93-W294 VanDerWaalsContact O-O 3.11Å
94	D	98.9	Very high	98	Very high	24 Å²	24	79 Å²	79	13%	0.128	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	114	175.8	-175.8	-20.7	0	0	0	108.5	R96 K97 K98	D94-R96 PolarHBondContact O-N 3.12Å; D94-R96 VanDerWaalsContact O-N 3.12Å; D94-R96 VanDerWaalsContact OD1-CB 3.23Å; D94-R96 WeakPolarHBondContact OD1-CB 3.39Å; D94-R96 WeakPolarHBondContact OD1-CG 3.01Å; D94-R96 IonicContact OD1-CZ 3.33Å; D94-R96 PolarHBondContact OD1-N 2.8Å; D94-R96 IonicContact OD1-NE 3.11Å; D94-R96 PolarHBondContact OD1-NE 3.33Å; D94-R96 IonicContact OD1-NH2 3.2Å; D94-R96 IonicContact OD2-CZ 2.74Å; D94-R96 IonicContact OD2-NE 2.7Å; D94-R96 PolarHBondContact OD2-NE 3.16Å; D94-R96 IonicContact OD2-NH2 2.76Å; D94-R96 PolarHBondContact OD2-NH2 3.35Å; D94-K97 HydrophobicContact CB-CB 4.38Å; D94-K97 HydrophobicContact CB-CD 4.13Å; D94-K97 HydrophobicContact CB-CG 4.06Å; D94-K97 WeakPolarHBondContact O-CB 3.04Å; D94-K97 PolarHBondContact O-N 3.33Å; D94-K98 PolarHBondContact O-N 3.2Å; D94-K98 VanDerWaalsContact O-N 3.16Å
95	S	98.9	Very high	98.2	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-55.7	-31.1	-179.2	-65.6	0	0	0	0	112.5	F93 K97 K98 W99 I292	F93-S95 WeakPolarHBondContact CE1-OG 3.08Å; S95-K97 VanDerWaalsContact C-N 3.26Å; S95-K97 PolarHBondContact O-N 2.04Å; S95-K98 PolarHBondContact O-N 2.02Å; S95-W99 PolarHBondContact O-N 3.19Å; S95-I292 VanDerWaalsContact CB-O 3.22Å; S95-I292 WeakPolarHBondContact CB-O 3.43Å; S95-I292 PolarHBondContact N-O 3.15Å; S95-I292 PolarHBondContact OG-O 2.83Å
96	R	98.8	Very high	98.3	Very high	80 Å²	80	68.7 Å²	68.7	30%	0.302	37%	0.368	S	S	.	.	H	α-helix	trans	-65.4	-32.4	178.7	-56.8	170.8	-64.1	-176.3	4.7	111.6	D94 I105 A106 I292 Y318	D94-R96 PolarHBondContact O-N 3.12Å; D94-R96 VanDerWaalsContact O-N 3.12Å; D94-R96 VanDerWaalsContact OD1-CB 3.23Å; D94-R96 WeakPolarHBondContact OD1-CB 3.39Å; D94-R96 WeakPolarHBondContact OD1-CG 3.01Å; D94-R96 IonicContact OD1-CZ 3.33Å; D94-R96 PolarHBondContact OD1-N 2.8Å; D94-R96 IonicContact OD1-NE 3.11Å; D94-R96 PolarHBondContact OD1-NE 3.33Å; D94-R96 IonicContact OD1-NH2 3.2Å; D94-R96 IonicContact OD2-CZ 2.74Å; D94-R96 IonicContact OD2-NE 2.7Å; D94-R96 PolarHBondContact OD2-NE 3.16Å; D94-R96 IonicContact OD2-NH2 2.76Å; D94-R96 PolarHBondContact OD2-NH2 3.35Å; R96-I105 HydrophobicContact CB-CG2 4.45Å; R96-I105 HydrophobicContact CG-CB 4.33Å; R96-I105 HydrophobicContact CG-CG2 3.61Å; R96-A106 HydrophobicContact CG-CB 4.17Å; R96-I292 HydrophobicContact CG-CD1 4.1Å; R96-Y318 VanDerWaalsContact NH1-CZ 3.29Å
97	K	98.7	Very high	98.4	Very high	172 Å²	172	64.5 Å²	64.5	75%	0.748	35%	0.348	S	S	*	.	H	α-helix	trans	-79.1	-37.8	176.3	-63.9	-176.1	-177.8	178.4	0	111.8	D94 S95	D94-K97 HydrophobicContact CB-CB 4.38Å; D94-K97 HydrophobicContact CB-CD 4.13Å; D94-K97 HydrophobicContact CB-CG 4.06Å; D94-K97 WeakPolarHBondContact O-CB 3.04Å; D94-K97 PolarHBondContact O-N 3.33Å; S95-K97 VanDerWaalsContact C-N 3.26Å; S95-K97 PolarHBondContact O-N 2.04Å
98	K	98.5	Very high	98.4	Very high	106 Å²	106	62.7 Å²	62.7	46%	0.461	34%	0.336	S	S	.	.	H	α-helix	trans	-71.7	-38.5	180	-176.9	166.1	176.4	172.7	0	112.7	F93 D94 S95 P100 M253	F93-K98 HydrophobicContact CE2-CB 4.22Å; F93-K98 HydrophobicContact CE2-CD 3.53Å; F93-K98 HydrophobicContact CE2-CG 4.49Å; F93-K98 HydrophobicContact CZ-CB 4.05Å; F93-K98 HydrophobicContact CZ-CD 3.61Å; F93-K98 HydrophobicContact CZ-CG 4.44Å; D94-K98 PolarHBondContact O-N 3.2Å; D94-K98 VanDerWaalsContact O-N 3.16Å; S95-K98 PolarHBondContact O-N 2.02Å; K98-P100 VanDerWaalsContact C-CD 3.45Å; K98-P100 WeakPolarHBondContact O-CD 3.44Å; K98-M253 PolarHBondContact NZ-O 3.09Å
99	W	98.7	Very high	98.5	Very high	43 Å²	43	54.9 Å²	54.9	16%	0.163	30%	0.299	C	S	.	.			trans	-125.4	64.7	-176.6	-58.6	-77.3	0	0	0	112.3	F93 S95 G101 C102 I105 I132 I252 M253	F93-W99 HydrophobicContact CE1-CZ3 4.13Å; F93-W99 AromaticContact CZ-CH2 3.91Å; F93-W99 HydrophobicContact CZ-CH2 3.91Å; F93-W99 AromaticContact CZ-CZ3 3.71Å; F93-W99 HydrophobicContact CZ-CZ3 3.71Å; S95-W99 PolarHBondContact O-N 3.19Å; W99-G101 PolarHBondContact O-N 3.05Å; W99-G101 VanDerWaalsContact O-N 3.08Å; W99-C102 HydrophobicContact CB-CB 4.33Å; W99-C102 PolarHBondContact O-N 3.33Å; W99-I105 HydrophobicContact CB-CD1 3.72Å; W99-I105 HydrophobicContact CE3-CD1 4.32Å; W99-I132 HydrophobicContact CB-CG1 4.1Å; W99-I132 HydrophobicContact CD2-CD1 3.79Å; W99-I132 HydrophobicContact CD2-CG1 3.77Å; W99-I132 HydrophobicContact CD2-CG2 4.13Å; W99-I132 HydrophobicContact CE3-CD1 3.64Å; W99-I132 HydrophobicContact CE3-CG1 4.17Å; W99-I132 HydrophobicContact CG-CD1 4.25Å; W99-I132 HydrophobicContact CG-CG1 3.75Å; W99-I132 HydrophobicContact CG-CG2 4.44Å; W99-I132 HydrophobicContact CH2-CD1 4.45Å; W99-I132 HydrophobicContact CZ2-CG2 3.79Å; W99-I132 HydrophobicContact CZ3-CD1 4.01Å; W99-I252 WeakPolarHBondContact CH2-O 3.43Å; W99-M253 WeakPolarHBondContact CH2-O 3.07Å
100	P	98	Very high	98.4	Very high	85 Å²	85	53.4 Å²	53.4	55%	0.552	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.5	-174.5	28.2	-36.5	0	0	0	114.2	K98 C102 K103	K98-P100 VanDerWaalsContact C-CD 3.45Å; K98-P100 WeakPolarHBondContact O-CD 3.44Å; P100-C102 VanDerWaalsContact C-N 3.34Å; P100-K103 PolarHBondContact O-NZ 2.97Å
101	G	98	Very high	98.3	Very high	49 Å²	49	50.9 Å²	50.9	51%	0.505	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.5	173.1	0	0	0	0	0	114.1	W99 K103 N139	W99-G101 PolarHBondContact O-N 3.05Å; W99-G101 VanDerWaalsContact O-N 3.08Å; G101-K103 PolarHBondContact O-N 2.57Å; G101-N139 PolarHBondContact O-ND2 2.88Å
102	C	98.6	Very high	98.1	Very high	11 Å²	11	47 Å²	47	7%	0.074	25%	0.248	C	C	.	.			trans	-93.7	90.6	-179.2	-64.1	0	0	0	0	110.5	W99 P100 S104 I105 C131	W99-C102 HydrophobicContact CB-CB 4.33Å; W99-C102 PolarHBondContact O-N 3.33Å; P100-C102 VanDerWaalsContact C-N 3.34Å; C102-S104 VanDerWaalsContact C-N 3.27Å; C102-S104 PolarHBondContact O-N 2.94Å; C102-I105 HydrophobicContact CB-CD1 3.64Å; C102-I105 HydrophobicContact CB-CG1 3.98Å; C102-I105 WeakPolarHBondContact O-CG1 3.04Å; C102-I105 PolarHBondContact O-N 3.4Å; C102-C131 WeakPolarHBondContact CA-SG 3.47Å; C102-C131 HydrophobicContact CB-CB 3.69Å; C102-C131 WeakPolarHBondContact CB-SG 3.3Å; C102-C131 WeakPolarHBondContact SG-CB 3.43Å; C102-C131 CovalentContact SG-SG 2.04Å; C102-C131 PolarHBondContact SG-SG 2.91Å
103	K	97.9	Very high	97.9	Very high	139 Å²	139	43.7 Å²	43.7	60%	0.604	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-67.7	-25.4	-171.2	-57.5	-53.5	-177.5	-168.6	0	113.8	P100 G101 I105 A106 T107	P100-K103 PolarHBondContact O-NZ 2.97Å; G101-K103 PolarHBondContact O-N 2.57Å; K103-I105 PolarHBondContact O-N 2.7Å; K103-A106 PolarHBondContact O-N 3.33Å; K103-T107 PolarHBondContact O-N 3.21Å; K103-T107 PolarHBondContact O-OG1 2.03Å
104	S	98.5	Very high	97.8	Very high	16 Å²	16	42.6 Å²	42.6	11%	0.112	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-57.1	-31.9	176.1	60.6	0	0	0	0	112.4	C102 A106 T107 D128	C102-S104 VanDerWaalsContact C-N 3.27Å; C102-S104 PolarHBondContact O-N 2.94Å; S104-A106 VanDerWaalsContact C-N 3.27Å; S104-A106 PolarHBondContact O-N 3.04Å; S104-T107 WeakPolarHBondContact O-CB 3.27Å; S104-T107 PolarHBondContact O-N 2.89Å; S104-D128 WeakPolarHBondContact CB-OD1 3.35Å; S104-D128 WeakPolarHBondContact OG-CA 3.22Å; S104-D128 PolarHBondContact OG-N 2.87Å; S104-D128 PolarHBondContact OG-OD1 3.49Å
105	I	98.8	Very high	97.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-60.9	-40.8	-176.4	-54.7	172.4	0	0	0	110.7	R96 W99 C102 K103 D128 I132 P257 R290	R96-I105 HydrophobicContact CB-CG2 4.45Å; R96-I105 HydrophobicContact CG-CB 4.33Å; R96-I105 HydrophobicContact CG-CG2 3.61Å; W99-I105 HydrophobicContact CB-CD1 3.72Å; W99-I105 HydrophobicContact CE3-CD1 4.32Å; C102-I105 HydrophobicContact CB-CD1 3.64Å; C102-I105 HydrophobicContact CB-CG1 3.98Å; C102-I105 WeakPolarHBondContact O-CG1 3.04Å; C102-I105 PolarHBondContact O-N 3.4Å; K103-I105 PolarHBondContact O-N 2.7Å; I105-D128 VanDerWaalsContact CA-OD1 3.26Å; I105-D128 WeakPolarHBondContact CA-OD1 3.3Å; I105-D128 HydrophobicContact CG1-CB 3.99Å; I105-D128 PolarHBondContact N-OD1 2.93Å; I105-I132 HydrophobicContact CD1-CD1 3.91Å; I105-I132 HydrophobicContact CD1-CG1 4.25Å; I105-P257 HydrophobicContact CG2-CG 4.18Å; I105-R290 PolarHBondContact O-NH1 3.27Å
106	A	98.5	Very high	97.6	Very high	55 Å²	55	41.5 Å²	41.5	46%	0.455	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-86.8	-6.1	-179.7	0	0	0	0	0	113.6	R96 K103 S104 Y318	R96-A106 HydrophobicContact CG-CB 4.17Å; K103-A106 PolarHBondContact O-N 3.33Å; S104-A106 VanDerWaalsContact C-N 3.27Å; S104-A106 PolarHBondContact O-N 3.04Å; A106-Y318 WeakPolarHBondContact CA-OH 3.47Å; A106-Y318 PolarHBondContact O-OH 3.38Å
107	T	98.4	Very high	97.6	Very high	59 Å²	59	37.7 Å²	37.7	36%	0.362	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-80.7	125	-176.9	-59	0	0	0	0	110.1	K103 S104 R290	K103-T107 PolarHBondContact O-N 3.21Å; K103-T107 PolarHBondContact O-OG1 2.03Å; S104-T107 WeakPolarHBondContact O-CB 3.27Å; S104-T107 PolarHBondContact O-N 2.89Å; T107-R290 PolarHBondContact O-NH2 2.87Å; T107-R290 VanDerWaalsContact O-NH2 3.13Å
108	I	98.1	Very high	97.6	Very high	15 Å²	15	29.5 Å²	29.5	8%	0.077	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-99.8	127.1	172.1	-62.8	-58.6	0	0	0	109.3	A306 N310 E311 Y318	I108-A306 HydrophobicContact CD1-CB 3.7Å; I108-N310 VanDerWaalsContact CG2-C 3.44Å; I108-E311 HydrophobicContact CB-CB 4.48Å; I108-Y318 HydrophobicContact CD1-CD1 4.28Å; I108-Y318 HydrophobicContact CD1-CD2 4.14Å; I108-Y318 HydrophobicContact CD1-CE1 3.88Å; I108-Y318 HydrophobicContact CD1-CE2 3.7Å; I108-Y318 HydrophobicContact CD1-CG 4.4Å; I108-Y318 HydrophobicContact CG1-CD2 4.36Å; I108-Y318 HydrophobicContact CG1-CE2 3.75Å
109	R	97.8	Very high	97.6	Very high	18 Å²	18	24.4 Å²	24.4	7%	0.068	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-100.8	173.8	178.6	-52.5	-166.7	-172.8	-171.3	12.7	111.5	F120 E124 S127 E141 L142 S308 W309 N310	R109-F120 HydrophobicContact CB-CD1 3.79Å; R109-F120 HydrophobicContact CB-CE1 3.74Å; R109-E124 WeakPolarHBondContact CB-OE1 3.33Å; R109-E124 HydrophobicContact CG-CG 4.15Å; R109-S127 PolarHBondContact NH2-OG 3.46Å; R109-S127 VanDerWaalsContact NH2-OG 3.16Å; R109-E141 VanDerWaalsContact CZ-CG 3.45Å; R109-E141 IonicContact CZ-OE1 3.51Å; R109-E141 IonicContact NE-OE1 3.31Å; R109-E141 PolarHBondContact NE-OE1 3.05Å; R109-E141 IonicContact NH1-OE1 3.93Å; R109-L142 PolarHBondContact NH1-O 2.95Å; R109-S308 CarbonylContact O-C 3.5Å; R109-S308 VanDerWaalsContact O-C 3.24Å; R109-W309 PolarHBondContact O-N 2.94Å; R109-N310 PolarHBondContact O-N 3.37Å
110	D	96.7	Very high	97.6	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.037	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-132.7	118.6	176.1	-164.6	-20.3	0	0	0	109.5	R52 S112 K194 C195 S308 N310	R52-D110 IonicContact CZ-OD1 3.6Å; R52-D110 IonicContact NH1-OD1 3.95Å; R52-D110 IonicContact NH1-OD2 3.77Å; R52-D110 IonicContact NH2-OD1 2.74Å; R52-D110 PolarHBondContact NH2-OD1 2.64Å; D110-S112 PolarHBondContact O-N 2.74Å; D110-S112 WeakPolarHBondContact OD1-CA 3.44Å; D110-S112 PolarHBondContact OD1-N 2.8Å; D110-K194 HydrophobicContact CB-CB 4.31Å; D110-K194 HydrophobicContact CB-CG 3.59Å; D110-C195 PolarHBondContact OD2-N 2.95Å; D110-S308 CarbonylContact C-O 3.58Å; D110-S308 WeakPolarHBondContact CA-O 3.46Å; D110-N310 HydrophobicContact CB-CB 3.98Å; D110-N310 WeakPolarHBondContact OD2-CB 3.17Å; D110-N310 PolarHBondContact OD2-ND2 3.4Å
111	Q	96.5	Very high	97.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.115	C	C	.	.			trans	-76.7	-7.6	176.2	72.9	-173.9	77.9	0	0	113.4	Q62 C114 C117 F120 Y190 S308	Q62-Q111 VanDerWaalsContact C-NE2 3.29Å; Q62-Q111 PolarHBondContact O-NE2 3.45Å; Q111-C114 PolarHBondContact NE2-O 2.89Å; Q111-C117 VanDerWaalsContact OE1-CB 3.32Å; Q111-F120 VanDerWaalsContact CA-CZ 3.43Å; Q111-F120 HydrophobicContact CB-CD1 4.35Å; Q111-F120 HydrophobicContact CB-CD2 3.72Å; Q111-F120 HydrophobicContact CB-CE1 4.22Å; Q111-F120 HydrophobicContact CB-CE2 3.58Å; Q111-F120 HydrophobicContact CB-CG 4.12Å; Q111-F120 HydrophobicContact CB-CZ 3.86Å; Q111-Y190 WeakPolarHBondContact O-CE1 3.18Å; Q111-Y190 PolarHBondContact O-OH 3.31Å; Q111-S308 PolarHBondContact N-O 3.44Å; Q111-S308 PolarHBondContact OE1-OG 3.3Å
112	S	94.7	Very high	97.7	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	9%	0.091	C	C	.	.			trans	58.5	-153.1	-175.9	-160	0	0	0	0	111.5	D110 C114 P193 Y211	D110-S112 PolarHBondContact O-N 2.74Å; D110-S112 WeakPolarHBondContact OD1-CA 3.44Å; D110-S112 PolarHBondContact OD1-N 2.8Å; S112-C114 PolarHBondContact O-N 2.64Å; S112-C114 VanDerWaalsContact O-N 3.07Å; S112-P193 VanDerWaalsContact CB-O 3.23Å; S112-P193 WeakPolarHBondContact CB-O 3.18Å; S112-P193 PolarHBondContact OG-O 2.8Å; S112-Y211 WeakPolarHBondContact OG-CE2 3.41Å
113	R	94.4	Very high	97.7	Very high	12 Å²	12	15.8 Å²	15.8	5%	0.045	9%	0.087	C	C	.	.	S	Bend	trans	-84.2	51.8	177.6	-62.3	179.7	64.8	85.6	-6.6	112.8	D58 I61 C206 G207 K209 Y211	D58-R113 IonicContact OD1-CZ 3.35Å; D58-R113 IonicContact OD1-NH1 2.79Å; D58-R113 PolarHBondContact OD1-NH1 3.18Å; D58-R113 IonicContact OD1-NH2 3.5Å; D58-R113 PolarHBondContact OD1-NH2 2.8Å; I61-R113 HydrophobicContact CD1-CB 4.08Å; I61-R113 HydrophobicContact CD1-CG 4.41Å; I61-R113 VanDerWaalsContact CD1-CZ 3.43Å; I61-R113 VanDerWaalsContact CD1-NH2 3.29Å; R113-C206 WeakPolarHBondContact CD-O 3.27Å; R113-C206 HydrophobicContact CG-CB 4.13Å; R113-G207 WeakPolarHBondContact CD-O 3.31Å; R113-G207 PolarHBondContact NE-O 2.77Å; R113-K209 WeakPolarHBondContact CB-O 3.41Å; R113-K209 VanDerWaalsContact CD-O 3.25Å; R113-K209 WeakPolarHBondContact CD-O 3.29Å; R113-K209 PolarHBondContact NE-O 2.93Å; R113-Y211 HydrophobicContact CB-CD2 3.87Å; R113-Y211 HydrophobicContact CB-CE2 4.07Å; R113-Y211 WeakPolarHBondContact O-CD2 3.38Å; R113-Y211 PolarHBondContact O-N 3Å
114	C	95.7	Very high	97.8	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.007	6%	0.06	C	C	.	.	S	Bend	trans	-137.3	131.9	178.2	168.6	0	0	0	0	108.7	I61 Q111 S112 S116 C158 F192	I61-C114 CarbonylContact O-C 3.52Å; Q111-C114 PolarHBondContact NE2-O 2.89Å; S112-C114 PolarHBondContact O-N 2.64Å; S112-C114 VanDerWaalsContact O-N 3.07Å; C114-S116 PolarHBondContact O-N 3.38Å; C114-S116 WeakPolarHBondContact SG-CB 3.5Å; C114-S116 PolarHBondContact SG-OG 3Å; C114-C158 HydrophobicContact CB-CB 3.94Å; C114-C158 WeakPolarHBondContact CB-SG 3.33Å; C114-C158 WeakPolarHBondContact SG-CA 3.38Å; C114-C158 WeakPolarHBondContact SG-CB 3.35Å; C114-C158 CovalentContact SG-SG 2.04Å; C114-C158 PolarHBondContact SG-SG 2.61Å; C114-F192 HydrophobicContact CB-CD2 3.84Å; C114-F192 HydrophobicContact CB-CE2 3.82Å
115	G	97.2	Very high	97.8	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.01	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-77.6	50.8	-179.7	0	0	0	0	0	112.8	I61 M63 G64 C158 G160	I61-G115 WeakPolarHBondContact O-CA 3.06Å; I61-G115 PolarHBondContact O-N 2.94Å; M63-G115 WeakPolarHBondContact O-CA 3.04Å; G64-G115 WeakPolarHBondContact CA-O 3.36Å; G115-C158 WeakPolarHBondContact CA-O 3.16Å; G115-C158 PolarHBondContact N-O 3.11Å; G115-G160 WeakPolarHBondContact O-CA 3.15Å; G115-G160 PolarHBondContact O-N 2.96Å
116	S	98.2	Very high	97.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.054	C	C	.	.			trans	-103.2	16.7	-174.1	53.2	0	0	0	0	113.4	C114 W118 A119 F120 Y190	C114-S116 PolarHBondContact O-N 3.38Å; C114-S116 WeakPolarHBondContact SG-CB 3.5Å; C114-S116 PolarHBondContact SG-OG 3Å; S116-W118 PolarHBondContact O-N 3.12Å; S116-W118 VanDerWaalsContact O-N 3.09Å; S116-A119 WeakPolarHBondContact O-CA 3.42Å; S116-A119 WeakPolarHBondContact O-CB 3.35Å; S116-A119 PolarHBondContact O-N 3.46Å; S116-F120 WeakPolarHBondContact O-CD2 3.47Å; S116-F120 PolarHBondContact O-N 3.26Å; S116-F120 VanDerWaalsContact O-N 3.11Å; S116-F120 WeakPolarHBondContact OG-CE2 3.2Å; S116-Y190 PolarHBondContact OG-OH 2.88Å
117	C	98.5	Very high	97.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-51.3	-37	-179.6	62.9	0	0	0	0	113	G64 A65 Q111 A119 F120 G121 H287 A288	G64-C117 VanDerWaalsContact C-SG 3.51Å; G64-C117 PolarHBondContact N-SG 3.24Å; A65-C117 PolarHBondContact N-SG 2.81Å; A65-C117 VanDerWaalsContact N-SG 3.44Å; Q111-C117 VanDerWaalsContact OE1-CB 3.32Å; C117-A119 PolarHBondContact O-N 3.4Å; C117-F120 PolarHBondContact O-N 2.91Å; C117-G121 PolarHBondContact O-N 3.25Å; C117-H287 WeakPolarHBondContact CB-CE1 3.49Å; C117-H287 VanDerWaalsContact CB-ND1 3.3Å; C117-H287 WeakPolarHBondContact CB-ND1 3.43Å; C117-H287 PolarHBondContact SG-ND1 3.06Å; C117-A288 HydrophobicContact CB-CB 4.33Å; C117-A288 PolarHBondContact SG-N 2.88Å; C117-A288 VanDerWaalsContact SG-N 3.39Å
118	W	98.7	Very high	97.9	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-60.8	-25.8	176.1	70.2	-91	0	0	0	113.6	G64 S116 L147 L148 C154 G157 L163 A166 A288	G64-W118 VanDerWaalsContact O-CD1 3.26Å; S116-W118 PolarHBondContact O-N 3.12Å; S116-W118 VanDerWaalsContact O-N 3.09Å; W118-L147 HydrophobicContact CH2-CG 4.32Å; W118-L147 HydrophobicContact CZ3-CD1 4.26Å; W118-L147 HydrophobicContact CZ3-CD2 4.31Å; W118-L147 HydrophobicContact CZ3-CG 4Å; W118-L148 HydrophobicContact CH2-CB 4.4Å; W118-L148 HydrophobicContact CZ2-CB 4.04Å; W118-C154 HydrophobicContact CE3-CB 4.05Å; W118-C154 HydrophobicContact CH2-CB 3.3Å; W118-C154 HydrophobicContact CZ2-CB 4.19Å; W118-C154 HydrophobicContact CZ3-CB 3.23Å; W118-G157 PolarHBondContact NE1-O 2.85Å; W118-L163 HydrophobicContact CB-CD1 4.44Å; W118-A166 HydrophobicContact CE3-CB 3.98Å; W118-A166 HydrophobicContact CZ3-CB 3.93Å; W118-A288 HydrophobicContact CB-CB 4.49Å
119	A	98.8	Very high	97.9	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-89.3	-32	173.9	0	0	0	0	0	111.1	S116 C117 V123 L147 L148	S116-A119 WeakPolarHBondContact O-CA 3.42Å; S116-A119 WeakPolarHBondContact O-CB 3.35Å; S116-A119 PolarHBondContact O-N 3.46Å; C117-A119 PolarHBondContact O-N 3.4Å; A119-V123 WeakPolarHBondContact O-CG1 3.24Å; A119-V123 WeakPolarHBondContact O-CG2 3.5Å; A119-V123 PolarHBondContact O-N 2.9Å; A119-L147 HydrophobicContact CB-CD2 3.81Å; A119-L147 HydrophobicContact CB-CG 4.08Å; A119-L148 HydrophobicContact CB-CB 3.85Å
120	F	98.8	Very high	97.9	Very high	5 Å²	5	1.7 Å²	1.7	2%	0.022	1%	0.009	C	C	.	.	H	α-helix	trans	-68.8	-52.8	178.7	-87.1	-104.4	0	0	0	112.2	R109 Q111 S116 C117 A122 V123 E124 A144 Y190	R109-F120 HydrophobicContact CB-CD1 3.79Å; R109-F120 HydrophobicContact CB-CE1 3.74Å; Q111-F120 VanDerWaalsContact CA-CZ 3.43Å; Q111-F120 HydrophobicContact CB-CD1 4.35Å; Q111-F120 HydrophobicContact CB-CD2 3.72Å; Q111-F120 HydrophobicContact CB-CE1 4.22Å; Q111-F120 HydrophobicContact CB-CE2 3.58Å; Q111-F120 HydrophobicContact CB-CG 4.12Å; Q111-F120 HydrophobicContact CB-CZ 3.86Å; S116-F120 WeakPolarHBondContact O-CD2 3.47Å; S116-F120 PolarHBondContact O-N 3.26Å; S116-F120 VanDerWaalsContact O-N 3.11Å; S116-F120 WeakPolarHBondContact OG-CE2 3.2Å; C117-F120 PolarHBondContact O-N 2.91Å; F120-A122 PolarHBondContact O-N 2.69Å; F120-V123 PolarHBondContact O-N 3.48Å; F120-E124 VanDerWaalsContact O-CB 3.3Å; F120-E124 WeakPolarHBondContact O-CB 3.43Å; F120-E124 WeakPolarHBondContact O-CG 3.15Å; F120-E124 PolarHBondContact O-N 3.19Å; F120-A144 HydrophobicContact CD2-CB 3.97Å; F120-A144 HydrophobicContact CE1-CB 4.41Å; F120-A144 HydrophobicContact CE2-CB 3.66Å; F120-A144 HydrophobicContact CG-CB 4.46Å; F120-A144 HydrophobicContact CZ-CB 3.89Å; F120-Y190 HydrophobicContact CE2-CD2 4.23Å; F120-Y190 HydrophobicContact CE2-CE1 4.19Å; F120-Y190 AromaticContact CE2-CE2 3.54Å; F120-Y190 HydrophobicContact CE2-CE2 3.54Å; F120-Y190 AromaticContact CE2-CZ 3.51Å; F120-Y190 WeakPolarHBondContact CE2-OH 3.31Å; F120-Y190 HydrophobicContact CZ-CD1 4.07Å; F120-Y190 AromaticContact CZ-CD2 3.96Å; F120-Y190 HydrophobicContact CZ-CD2 3.96Å; F120-Y190 AromaticContact CZ-CE1 3.74Å; F120-Y190 HydrophobicContact CZ-CE1 3.74Å; F120-Y190 AromaticContact CZ-CE2 3.65Å; F120-Y190 HydrophobicContact CZ-CE2 3.65Å; F120-Y190 HydrophobicContact CZ-CG 4.17Å; F120-Y190 AromaticContact CZ-CZ 3.53Å
121	G	98.8	Very high	98	Very high	2 Å²	2	1.4 Å²	1.4	2%	0.021	1%	0.007	C	C	.	.	H	α-helix	trans	-53.3	-45.1	177	0	0	0	0	0	111.6	C117 A125 E259	C117-G121 PolarHBondContact O-N 3.25Å; G121-A125 WeakPolarHBondContact O-CB 3.41Å; G121-A125 PolarHBondContact O-N 3.22Å; G121-A125 VanDerWaalsContact O-N 3.11Å; G121-E259 WeakPolarHBondContact CA-OE1 3.49Å
122	A	98.9	Very high	98.2	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-57.4	-64.6	174.3	0	0	0	0	0	112.8	F120 E124 A125 M126 L147 A166 E259	F120-A122 PolarHBondContact O-N 2.69Å; A122-E124 VanDerWaalsContact C-N 3.25Å; A122-E124 PolarHBondContact O-N 3.23Å; A122-A125 PolarHBondContact O-N 2.95Å; A122-M126 HydrophobicContact CB-CE 3.85Å; A122-M126 HydrophobicContact CB-SD 4.36Å; A122-M126 WeakPolarHBondContact O-CB 3.39Å; A122-M126 WeakPolarHBondContact O-CG 2.97Å; A122-M126 PolarHBondContact O-N 2.81Å; A122-L147 HydrophobicContact CB-CD2 3.91Å; A122-A166 HydrophobicContact CB-CB 4Å; A122-E259 WeakPolarHBondContact CB-OE2 3.35Å; A122-E259 PolarHBondContact N-OE1 2.77Å
123	V	98.9	Very high	98.3	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-66.3	-28.1	-173.4	-61.1	0	0	0	0	113.1	A119 F120 S127 L142 A144 L147 I175	A119-V123 WeakPolarHBondContact O-CG1 3.24Å; A119-V123 WeakPolarHBondContact O-CG2 3.5Å; A119-V123 PolarHBondContact O-N 2.9Å; F120-V123 PolarHBondContact O-N 3.48Å; V123-S127 VanDerWaalsContact O-CB 3.26Å; V123-S127 WeakPolarHBondContact O-CB 3.02Å; V123-S127 PolarHBondContact O-N 3.27Å; V123-S127 PolarHBondContact O-OG 3.41Å; V123-L142 HydrophobicContact CB-CB 4Å; V123-L142 HydrophobicContact CG1-CB 4.34Å; V123-A144 HydrophobicContact CG2-CB 3.89Å; V123-L147 HydrophobicContact CG1-CB 4.15Å; V123-L147 HydrophobicContact CG1-CD2 3.73Å; V123-I175 HydrophobicContact CG1-CD1 4.05Å; V123-I175 HydrophobicContact CG1-CG2 4.35Å
124	E	98.9	Very high	98.5	Very high	5 Å²	5	3.8 Å²	3.8	2%	0.023	2%	0.021	C	C	.	.	H	α-helix	trans	-66.4	-50.5	173.6	-69.4	175.6	-170.2	0	0	111	R109 F120 A122 M126 S127 D128 R290	R109-E124 WeakPolarHBondContact CB-OE1 3.33Å; R109-E124 HydrophobicContact CG-CG 4.15Å; F120-E124 VanDerWaalsContact O-CB 3.3Å; F120-E124 WeakPolarHBondContact O-CB 3.43Å; F120-E124 WeakPolarHBondContact O-CG 3.15Å; F120-E124 PolarHBondContact O-N 3.19Å; A122-E124 VanDerWaalsContact C-N 3.25Å; A122-E124 PolarHBondContact O-N 3.23Å; E124-M126 VanDerWaalsContact C-N 3.35Å; E124-M126 PolarHBondContact O-N 3.39Å; E124-S127 WeakPolarHBondContact O-CB 3.31Å; E124-S127 PolarHBondContact O-N 3.26Å; E124-D128 VanDerWaalsContact O-CG 3.24Å; E124-D128 PolarHBondContact O-N 3.07Å; E124-R290 VanDerWaalsContact CB-NE 3.26Å; E124-R290 IonicContact OE2-CZ 2.72Å; E124-R290 IonicContact OE2-NE 3.54Å; E124-R290 PolarHBondContact OE2-NE 3.42Å; E124-R290 IonicContact OE2-NH2 3.64Å; E124-R290 PolarHBondContact OE2-NH2 3.49Å
125	A	98.9	Very high	98.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-66.8	-36.7	179.3	0	0	0	0	0	111.8	G121 A122 D128 R129 W167 R290	G121-A125 WeakPolarHBondContact O-CB 3.41Å; G121-A125 PolarHBondContact O-N 3.22Å; G121-A125 VanDerWaalsContact O-N 3.11Å; A122-A125 PolarHBondContact O-N 2.95Å; A125-D128 PolarHBondContact O-N 3.15Å; A125-R129 VanDerWaalsContact O-CB 3.31Å; A125-R129 WeakPolarHBondContact O-CB 3.37Å; A125-R129 WeakPolarHBondContact O-CG 3.27Å; A125-R129 PolarHBondContact O-N 3.12Å; A125-W167 HydrophobicContact CB-CH2 3.78Å; A125-W167 HydrophobicContact CB-CZ2 3.77Å; A125-R290 HydrophobicContact CB-CG 4.26Å
126	M	98.9	Very high	98.6	Very high	0 Å²	0	9 Å²	9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.7	-37.9	174.1	-66.8	163.4	-175.9	0	0	112.1	A122 E124 R129 S130 L142 W167 W170 I175	A122-M126 HydrophobicContact CB-CE 3.85Å; A122-M126 HydrophobicContact CB-SD 4.36Å; A122-M126 WeakPolarHBondContact O-CB 3.39Å; A122-M126 WeakPolarHBondContact O-CG 2.97Å; A122-M126 PolarHBondContact O-N 2.81Å; E124-M126 VanDerWaalsContact C-N 3.35Å; E124-M126 PolarHBondContact O-N 3.39Å; M126-R129 PolarHBondContact O-N 2.79Å; M126-S130 WeakPolarHBondContact O-CB 3.27Å; M126-S130 PolarHBondContact O-N 3.16Å; M126-S130 PolarHBondContact O-OG 2.99Å; M126-L142 HydrophobicContact CB-CD1 3.55Å; M126-W167 HydrophobicContact CE-CB 4.11Å; M126-W167 HydrophobicContact CE-CD2 3.48Å; M126-W167 VanDerWaalsContact CE-CD2 3.48Å; M126-W167 HydrophobicContact CE-CE3 3.77Å; M126-W167 HydrophobicContact CE-CG 3.62Å; M126-W167 HydrophobicContact CE-CZ3 4.4Å; M126-W167 HydrophobicContact CG-CE3 4.11Å; M126-W167 HydrophobicContact CG-CH2 4.03Å; M126-W167 HydrophobicContact CG-CZ2 4.44Å; M126-W167 HydrophobicContact CG-CZ3 3.84Å; M126-W170 HydrophobicContact CB-CD2 4.38Å; M126-W170 HydrophobicContact CB-CZ2 4.28Å; M126-W170 HydrophobicContact CE-CB 3.56Å; M126-W170 HydrophobicContact CE-CD2 4.15Å; M126-W170 HydrophobicContact CE-CE3 4.16Å; M126-W170 HydrophobicContact CE-CG 3.95Å; M126-W170 HydrophobicContact CG-CD2 3.78Å; M126-W170 HydrophobicContact CG-CE3 3.91Å; M126-W170 HydrophobicContact CG-CG 4.18Å; M126-W170 HydrophobicContact CG-CH2 4.49Å; M126-W170 HydrophobicContact CG-CZ2 4.39Å; M126-W170 HydrophobicContact CG-CZ3 4.27Å; M126-W170 HydrophobicContact SD-CB 3.72Å; M126-W170 HydrophobicContact SD-CD2 3.83Å; M126-W170 HydrophobicContact SD-CE3 4.3Å; M126-W170 HydrophobicContact SD-CG 3.57Å; M126-W170 VanDerWaalsContact SD-CG 3.57Å; M126-I175 HydrophobicContact SD-CD1 3.69Å
127	S	98.9	Very high	98.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.9	-46.1	174.3	-61	0	0	0	0	110.8	R109 V123 E124 R129 S130 C131 V140 L142	R109-S127 PolarHBondContact NH2-OG 3.46Å; R109-S127 VanDerWaalsContact NH2-OG 3.16Å; V123-S127 VanDerWaalsContact O-CB 3.26Å; V123-S127 WeakPolarHBondContact O-CB 3.02Å; V123-S127 PolarHBondContact O-N 3.27Å; V123-S127 PolarHBondContact O-OG 3.41Å; E124-S127 WeakPolarHBondContact O-CB 3.31Å; E124-S127 PolarHBondContact O-N 3.26Å; S127-R129 PolarHBondContact O-N 2.99Å; S127-S130 PolarHBondContact O-N 2.81Å; S127-C131 PolarHBondContact O-N 2.65Å; S127-V140 VanDerWaalsContact CB-O 3.29Å; S127-V140 WeakPolarHBondContact CB-O 3.44Å; S127-L142 PolarHBondContact OG-N 3.5Å
128	D	98.9	Very high	98.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-49.6	176.3	-65.4	-13.8	0	0	0	111.5	S104 I105 E124 A125 S130 C131 I132 P257 R290	S104-D128 WeakPolarHBondContact CB-OD1 3.35Å; S104-D128 WeakPolarHBondContact OG-CA 3.22Å; S104-D128 PolarHBondContact OG-N 2.87Å; S104-D128 PolarHBondContact OG-OD1 3.49Å; I105-D128 VanDerWaalsContact CA-OD1 3.26Å; I105-D128 WeakPolarHBondContact CA-OD1 3.3Å; I105-D128 HydrophobicContact CG1-CB 3.99Å; I105-D128 PolarHBondContact N-OD1 2.93Å; E124-D128 VanDerWaalsContact O-CG 3.24Å; E124-D128 PolarHBondContact O-N 3.07Å; A125-D128 PolarHBondContact O-N 3.15Å; D128-S130 VanDerWaalsContact C-N 3.34Å; D128-S130 PolarHBondContact O-N 3.14Å; D128-C131 PolarHBondContact O-N 2.98Å; D128-C131 VanDerWaalsContact O-N 3.16Å; D128-I132 HydrophobicContact CB-CD1 4.41Å; D128-I132 VanDerWaalsContact O-CG1 3.27Å; D128-I132 WeakPolarHBondContact O-CG1 3.32Å; D128-I132 PolarHBondContact O-N 2.97Å; D128-P257 HydrophobicContact CB-CB 4.49Å; D128-P257 HydrophobicContact CB-CG 4.14Å; D128-P257 WeakPolarHBondContact OD2-CG 3.4Å; D128-R290 IonicContact OD1-NH1 3.67Å; D128-R290 WeakPolarHBondContact OD2-CD 3.36Å; D128-R290 IonicContact OD2-CZ 3.03Å; D128-R290 IonicContact OD2-NE 2.79Å; D128-R290 IonicContact OD2-NH1 3.68Å; D128-R290 PolarHBondContact OD2-NH1 3.33Å
129	R	98.9	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.6	-36.1	-177.8	-74.8	178.3	170.6	-105.1	-12.9	112.6	A125 M126 S127 C131 I132 Q133 Y239 E251 G256 P257 G337	A125-R129 VanDerWaalsContact O-CB 3.31Å; A125-R129 WeakPolarHBondContact O-CB 3.37Å; A125-R129 WeakPolarHBondContact O-CG 3.27Å; A125-R129 PolarHBondContact O-N 3.12Å; M126-R129 PolarHBondContact O-N 2.79Å; S127-R129 PolarHBondContact O-N 2.99Å; R129-C131 VanDerWaalsContact C-N 3.26Å; R129-C131 PolarHBondContact O-N 2.96Å; R129-I132 PolarHBondContact O-N 2.04Å; R129-Q133 VanDerWaalsContact O-CB 3.22Å; R129-Q133 WeakPolarHBondContact O-CB 2.99Å; R129-Q133 WeakPolarHBondContact O-CG 3.3Å; R129-Q133 PolarHBondContact O-N 2.85Å; R129-Y239 PolarHBondContact NH1-OH 3.46Å; R129-E251 IonicContact CZ-OE1 2.75Å; R129-E251 IonicContact NH1-OE1 3.9Å; R129-E251 PolarHBondContact NH1-OE1 3.28Å; R129-E251 IonicContact NH2-OE1 3.07Å; R129-E251 PolarHBondContact NH2-OE1 3.34Å; R129-G256 PolarHBondContact NH2-O 2.86Å; R129-P257 PolarHBondContact NE-O 2.99Å; R129-P257 PolarHBondContact NH2-O 2.65Å; R129-G337 WeakPolarHBondContact CD-O 3.44Å; R129-G337 PolarHBondContact NH1-O 3.43Å
130	S	98.8	Very high	98.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-57.3	-43.2	173.1	-60.9	0	0	0	0	110.7	M126 S127 D128 S134 Q138	M126-S130 WeakPolarHBondContact O-CB 3.27Å; M126-S130 PolarHBondContact O-N 3.16Å; M126-S130 PolarHBondContact O-OG 2.99Å; S127-S130 PolarHBondContact O-N 2.81Å; D128-S130 VanDerWaalsContact C-N 3.34Å; D128-S130 PolarHBondContact O-N 3.14Å; S130-S134 WeakPolarHBondContact O-CB 3.34Å; S130-S134 PolarHBondContact O-N 2.77Å; S130-S134 PolarHBondContact O-OG 3.4Å; S130-Q138 CarbonylContact C-O 3.11Å
131	C	98.8	Very high	98.3	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-71.3	-49.7	175.2	-179.8	0	0	0	0	113.7	C102 S127 D128 R129 S134 G135 G136 Q138	C102-C131 WeakPolarHBondContact CA-SG 3.47Å; C102-C131 HydrophobicContact CB-CB 3.69Å; C102-C131 WeakPolarHBondContact CB-SG 3.3Å; C102-C131 WeakPolarHBondContact SG-CB 3.43Å; C102-C131 CovalentContact SG-SG 2.04Å; C102-C131 PolarHBondContact SG-SG 2.91Å; S127-C131 PolarHBondContact O-N 2.65Å; D128-C131 PolarHBondContact O-N 2.98Å; D128-C131 VanDerWaalsContact O-N 3.16Å; R129-C131 VanDerWaalsContact C-N 3.26Å; R129-C131 PolarHBondContact O-N 2.96Å; C131-S134 PolarHBondContact O-OG 3.39Å; C131-G135 PolarHBondContact O-N 3.1Å; C131-G136 PolarHBondContact O-N 2.89Å; C131-Q138 WeakPolarHBondContact CA-O 3.5Å; C131-Q138 VanDerWaalsContact CB-O 3.27Å; C131-Q138 WeakPolarHBondContact CB-O 3.4Å; C131-Q138 PolarHBondContact N-O 2.84Å
132	I	98.8	Very high	98.3	Very high	19 Å²	19	29.1 Å²	29.1	10%	0.097	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-52.2	-176.5	-69.6	166.4	0	0	0	111	W99 I105 D128 R129 S134 G135	W99-I132 HydrophobicContact CB-CG1 4.1Å; W99-I132 HydrophobicContact CD2-CD1 3.79Å; W99-I132 HydrophobicContact CD2-CG1 3.77Å; W99-I132 HydrophobicContact CD2-CG2 4.13Å; W99-I132 HydrophobicContact CE3-CD1 3.64Å; W99-I132 HydrophobicContact CE3-CG1 4.17Å; W99-I132 HydrophobicContact CG-CD1 4.25Å; W99-I132 HydrophobicContact CG-CG1 3.75Å; W99-I132 HydrophobicContact CG-CG2 4.44Å; W99-I132 HydrophobicContact CH2-CD1 4.45Å; W99-I132 HydrophobicContact CZ2-CG2 3.79Å; W99-I132 HydrophobicContact CZ3-CD1 4.01Å; I105-I132 HydrophobicContact CD1-CD1 3.91Å; I105-I132 HydrophobicContact CD1-CG1 4.25Å; D128-I132 HydrophobicContact CB-CD1 4.41Å; D128-I132 VanDerWaalsContact O-CG1 3.27Å; D128-I132 WeakPolarHBondContact O-CG1 3.32Å; D128-I132 PolarHBondContact O-N 2.97Å; R129-I132 PolarHBondContact O-N 2.04Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 2.93Å; I132-G135 PolarHBondContact O-N 2.83Å
133	Q	98.6	Very high	98.3	Very high	26 Å²	26	29.2 Å²	29.2	12%	0.121	17%	0.171	C	C	.	.	H	α-helix	trans	-81	-16.9	-169.1	-59.7	173.5	11.7	0	0	112.4	R129 G135 Y255 G337 I339 N340	R129-Q133 VanDerWaalsContact O-CB 3.22Å; R129-Q133 WeakPolarHBondContact O-CB 2.99Å; R129-Q133 WeakPolarHBondContact O-CG 3.3Å; R129-Q133 PolarHBondContact O-N 2.85Å; Q133-G135 VanDerWaalsContact C-N 3.34Å; Q133-Y255 PolarHBondContact NE2-O 3.25Å; Q133-G337 PolarHBondContact NE2-O 3.07Å; Q133-I339 HydrophobicContact CB-CD1 3.72Å; Q133-I339 HydrophobicContact CB-CG1 3.67Å; Q133-N340 PolarHBondContact O-ND2 2.85Å
134	S	98.5	Very high	98.3	Very high	19 Å²	19	29.4 Å²	29.4	13%	0.133	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-0.1	171.6	71.7	0	0	0	0	113.2	S130 C131 I132 G136 K137 Q138	S130-S134 WeakPolarHBondContact O-CB 3.34Å; S130-S134 PolarHBondContact O-N 2.77Å; S130-S134 PolarHBondContact O-OG 3.4Å; C131-S134 PolarHBondContact O-OG 3.39Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 2.93Å; S134-G136 VanDerWaalsContact C-N 3.31Å; S134-K137 WeakPolarHBondContact O-CB 3.19Å; S134-K137 VanDerWaalsContact O-CG 3.3Å; S134-K137 WeakPolarHBondContact O-CG 3.32Å; S134-K137 PolarHBondContact O-N 2.83Å; S134-K137 PolarHBondContact OG-N 3.32Å; S134-Q138 PolarHBondContact OG-N 2.66Å
135	G	97.8	Very high	98.3	Very high	71 Å²	71	29.7 Å²	29.7	73%	0.732	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	34.3	-174.3	0	0	0	0	0	112.7	C131 I132 Q133	C131-G135 PolarHBondContact O-N 3.1Å; I132-G135 PolarHBondContact O-N 2.83Å; Q133-G135 VanDerWaalsContact C-N 3.34Å
136	G	97.1	Very high	98.3	Very high	41 Å²	41	29.7 Å²	29.7	42%	0.423	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	2.1	-179.1	0	0	0	0	0	115.4	C131 S134 Q138	C131-G136 PolarHBondContact O-N 2.89Å; S134-G136 VanDerWaalsContact C-N 3.31Å; G136-Q138 VanDerWaalsContact C-N 3.35Å
137	K	97.4	Very high	98.3	Very high	193 Å²	193	29.7 Å²	29.7	84%	0.839	17%	0.174	S	C	*	.	S	Bend	trans	-68.6	-31.7	178.6	-67.3	176.1	-177.9	177.7	0	113	S134	S134-K137 WeakPolarHBondContact O-CB 3.19Å; S134-K137 VanDerWaalsContact O-CG 3.3Å; S134-K137 WeakPolarHBondContact O-CG 3.32Å; S134-K137 PolarHBondContact O-N 2.83Å; S134-K137 PolarHBondContact OG-N 3.32Å
138	Q	96.6	Very high	98.3	Very high	72 Å²	72	29.9 Å²	29.9	34%	0.336	18%	0.176	S	C	.	.			trans	-110.1	111.6	173.7	-61.2	-178.3	32.4	0	0	109	S130 C131 S134 G136	S130-Q138 CarbonylContact C-O 3.11Å; C131-Q138 WeakPolarHBondContact CA-O 3.5Å; C131-Q138 VanDerWaalsContact CB-O 3.27Å; C131-Q138 WeakPolarHBondContact CB-O 3.4Å; C131-Q138 PolarHBondContact N-O 2.84Å; S134-Q138 PolarHBondContact OG-N 2.66Å; G136-Q138 VanDerWaalsContact C-N 3.35Å
139	N	95.9	Very high	98.2	Very high	90 Å²	90	30.8 Å²	30.8	48%	0.481	18%	0.182	S	C	.	.			trans	-122.4	79.9	176.7	-153.5	-23.6	0	0	0	108.3	G101	G101-N139 PolarHBondContact O-ND2 2.88Å
140	V	98	Very high	98.2	Very high	25 Å²	25	31.7 Å²	31.7	15%	0.152	19%	0.188	C	C	.	.			trans	-120.3	149.4	-167.3	-64.1	0	0	0	0	111.4	S127 L142 T177	S127-V140 VanDerWaalsContact CB-O 3.29Å; S127-V140 WeakPolarHBondContact CB-O 3.44Å; V140-L142 HydrophobicContact CG2-CD2 3.89Å; V140-L142 HydrophobicContact CG2-CG 4.29Å; V140-T177 HydrophobicContact CB-CG2 4.19Å; V140-T177 HydrophobicContact CG1-CG2 4.26Å
141	E	98.7	Very high	98.2	Very high	49 Å²	49	31.9 Å²	31.9	23%	0.229	19%	0.189	C	C	.	.			trans	-105.1	105.9	168.4	-166.3	-179.6	-179.5	0	0	107.8	R109 T177 G178 S179	R109-E141 VanDerWaalsContact CZ-CG 3.45Å; R109-E141 IonicContact CZ-OE1 3.51Å; R109-E141 IonicContact NE-OE1 3.31Å; R109-E141 PolarHBondContact NE-OE1 3.05Å; R109-E141 IonicContact NH1-OE1 3.93Å; E141-T177 CarbonylContact O-C 3.54Å; E141-T177 VanDerWaalsContact O-CA 3.26Å; E141-T177 WeakPolarHBondContact O-CA 3.46Å; E141-G178 PolarHBondContact O-N 3.08Å; E141-S179 VanDerWaalsContact OE2-CA 3.29Å; E141-S179 WeakPolarHBondContact OE2-CA 3.35Å; E141-S179 WeakPolarHBondContact OE2-CB 3.4Å
142	L	98.8	Very high	98.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-75	142.1	-178.8	-61.8	-177.9	0	0	0	111.6	R109 V123 M126 S127 V140 A144 I175 H233	R109-L142 PolarHBondContact NH1-O 2.95Å; V123-L142 HydrophobicContact CB-CB 4Å; V123-L142 HydrophobicContact CG1-CB 4.34Å; M126-L142 HydrophobicContact CB-CD1 3.55Å; S127-L142 PolarHBondContact OG-N 3.5Å; V140-L142 HydrophobicContact CG2-CD2 3.89Å; V140-L142 HydrophobicContact CG2-CG 4.29Å; L142-A144 PolarHBondContact O-N 3.25Å; L142-I175 HydrophobicContact CB-CG2 4.11Å; L142-H233 HydrophobicContact CD2-CB 3.72Å
143	S	98.9	Very high	98	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	25%	0.253	C	S	.	.			trans	-75.3	113.5	-173.2	179.8	0	0	0	0	112	V145 D146 L147 I175 V176 E188	S143-V145 PolarHBondContact O-N 2.82Å; S143-V145 VanDerWaalsContact OG-CG1 3.23Å; S143-V145 WeakPolarHBondContact OG-CG1 3.3Å; S143-V145 PolarHBondContact OG-N 2.88Å; S143-D146 PolarHBondContact OG-N 3.33Å; S143-D146 VanDerWaalsContact OG-N 3.1Å; S143-L147 PolarHBondContact O-N 2.99Å; S143-I175 WeakPolarHBondContact O-CG2 3.46Å; S143-V176 VanDerWaalsContact CB-O 3.29Å; S143-V176 WeakPolarHBondContact CB-O 3.42Å; S143-V176 PolarHBondContact N-O 2.84Å; S143-E188 WeakPolarHBondContact CB-O 3.17Å; S143-E188 PolarHBondContact OG-O 2.87Å
144	A	98.8	Very high	98	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-33.8	169.9	0	0	0	0	0	111.7	F120 V123 L142 L148 Y190	F120-A144 HydrophobicContact CD2-CB 3.97Å; F120-A144 HydrophobicContact CE1-CB 4.41Å; F120-A144 HydrophobicContact CE2-CB 3.66Å; F120-A144 HydrophobicContact CG-CB 4.46Å; F120-A144 HydrophobicContact CZ-CB 3.89Å; V123-A144 HydrophobicContact CG2-CB 3.89Å; L142-A144 PolarHBondContact O-N 3.25Å; A144-L148 WeakPolarHBondContact O-CB 3.42Å; A144-L148 VanDerWaalsContact O-CD2 3.3Å; A144-L148 WeakPolarHBondContact O-CD2 3.36Å; A144-L148 VanDerWaalsContact O-CG 3.32Å; A144-L148 WeakPolarHBondContact O-CG 3.3Å; A144-L148 PolarHBondContact O-N 2.92Å; A144-Y190 HydrophobicContact CB-CD2 4.13Å; A144-Y190 HydrophobicContact CB-CE2 4.3Å
145	V	98.7	Very high	97.8	Very high	11 Å²	11	43 Å²	43	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-74.1	-35.8	-177.1	66	0	0	0	0	112.7	S143 L148 S149 E188 Y190 P191 P214	S143-V145 PolarHBondContact O-N 2.82Å; S143-V145 VanDerWaalsContact OG-CG1 3.23Å; S143-V145 WeakPolarHBondContact OG-CG1 3.3Å; S143-V145 PolarHBondContact OG-N 2.88Å; V145-L148 HydrophobicContact CB-CD2 4.43Å; V145-S149 WeakPolarHBondContact O-CB 3.3Å; V145-S149 PolarHBondContact O-N 2.95Å; V145-S149 PolarHBondContact O-OG 3.06Å; V145-E188 HydrophobicContact CG1-CB 3.93Å; V145-E188 VanDerWaalsContact CG1-O 3.3Å; V145-E188 WeakPolarHBondContact CG1-O 3.22Å; V145-Y190 HydrophobicContact CB-CD2 4.1Å; V145-P191 HydrophobicContact CG2-CG 3.99Å; V145-P214 HydrophobicContact CG2-CB 4.23Å; V145-P214 HydrophobicContact CG2-CG 3.93Å
146	D	98.8	Very high	97.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-50.6	173.6	-179	40.8	0	0	0	110	S143 C150 I175 V176 Y228 K232	S143-D146 PolarHBondContact OG-N 3.33Å; S143-D146 VanDerWaalsContact OG-N 3.1Å; D146-C150 WeakPolarHBondContact O-CB 3.23Å; D146-C150 PolarHBondContact O-N 3.36Å; D146-I175 HydrophobicContact CB-CG2 4.31Å; D146-I175 VanDerWaalsContact OD2-CA 3.31Å; D146-I175 WeakPolarHBondContact OD2-CA 3.4Å; D146-V176 HydrophobicContact CB-CG2 3.77Å; D146-V176 PolarHBondContact OD2-N 3.08Å; D146-Y228 WeakPolarHBondContact OD1-CE2 3.23Å; D146-Y228 PolarHBondContact OD1-OH 2.8Å; D146-K232 IonicContact OD1-NZ 3.88Å; D146-K232 PolarHBondContact OD1-NZ 3.18Å; D146-K232 IonicContact OD2-NZ 2.76Å; D146-K232 PolarHBondContact OD2-NZ 2.91Å
147	L	98.8	Very high	97.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-53.7	176.6	176.3	59.9	0	0	0	112.4	W118 A119 A122 V123 S143 S149 C151 A166 F169 I175	W118-L147 HydrophobicContact CH2-CG 4.32Å; W118-L147 HydrophobicContact CZ3-CD1 4.26Å; W118-L147 HydrophobicContact CZ3-CD2 4.31Å; W118-L147 HydrophobicContact CZ3-CG 4Å; A119-L147 HydrophobicContact CB-CD2 3.81Å; A119-L147 HydrophobicContact CB-CG 4.08Å; A122-L147 HydrophobicContact CB-CD2 3.91Å; V123-L147 HydrophobicContact CG1-CB 4.15Å; V123-L147 HydrophobicContact CG1-CD2 3.73Å; S143-L147 PolarHBondContact O-N 2.99Å; L147-S149 VanDerWaalsContact C-N 3.28Å; L147-S149 PolarHBondContact O-N 3.27Å; L147-C151 HydrophobicContact CD1-CB 3.99Å; L147-C151 VanDerWaalsContact O-CB 3.27Å; L147-C151 WeakPolarHBondContact O-CB 3.29Å; L147-C151 PolarHBondContact O-N 2.83Å; L147-A166 HydrophobicContact CD1-CB 4.26Å; L147-A166 HydrophobicContact CD2-CB 4.08Å; L147-F169 HydrophobicContact CD1-CB 4.25Å; L147-F169 HydrophobicContact CD1-CD1 3.66Å; L147-F169 HydrophobicContact CD1-CE1 4.36Å; L147-F169 HydrophobicContact CD1-CG 4.17Å; L147-I175 HydrophobicContact CB-CD1 4.05Å; L147-I175 HydrophobicContact CB-CG1 4.44Å; L147-I175 HydrophobicContact CD1-CD1 4.08Å; L147-I175 HydrophobicContact CD2-CD1 4.1Å; L147-I175 HydrophobicContact CG-CD1 4.29Å
148	L	98.1	Very high	97.8	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-69.5	-25.9	-172.7	80.5	87.5	0	0	0	113.4	W118 A119 A144 V145 Y190 T213	W118-L148 HydrophobicContact CH2-CB 4.4Å; W118-L148 HydrophobicContact CZ2-CB 4.04Å; A119-L148 HydrophobicContact CB-CB 3.85Å; A144-L148 WeakPolarHBondContact O-CB 3.42Å; A144-L148 VanDerWaalsContact O-CD2 3.3Å; A144-L148 WeakPolarHBondContact O-CD2 3.36Å; A144-L148 VanDerWaalsContact O-CG 3.32Å; A144-L148 WeakPolarHBondContact O-CG 3.3Å; A144-L148 PolarHBondContact O-N 2.92Å; V145-L148 HydrophobicContact CB-CD2 4.43Å; L148-Y190 HydrophobicContact CD2-CD2 4.49Å; L148-Y190 HydrophobicContact CD2-CE2 3.61Å; L148-T213 HydrophobicContact CD1-CG2 3.97Å
149	S	98.5	Very high	97.8	Very high	18 Å²	18	36.9 Å²	36.9	13%	0.126	21%	0.205	C	C	.	.	H	α-helix	trans	-95.8	-27.1	-177.4	69.9	0	0	0	0	113.4	V145 L147 P214 C216	V145-S149 WeakPolarHBondContact O-CB 3.3Å; V145-S149 PolarHBondContact O-N 2.95Å; V145-S149 PolarHBondContact O-OG 3.06Å; L147-S149 VanDerWaalsContact C-N 3.28Å; L147-S149 PolarHBondContact O-N 3.27Å; S149-P214 VanDerWaalsContact CB-O 3.3Å; S149-P214 WeakPolarHBondContact CB-O 3.24Å; S149-C216 WeakPolarHBondContact O-CB 3.45Å
150	C	98.7	Very high	97.9	Very high	19 Å²	19	32.6 Å²	32.6	13%	0.128	18%	0.182	C	C	.	.	H	α-helix	trans	-104	-18.9	-176.2	-60.1	0	0	0	0	114.5	D146 E152 F169 C216	D146-C150 WeakPolarHBondContact O-CB 3.23Å; D146-C150 PolarHBondContact O-N 3.36Å; C150-E152 PolarHBondContact O-N 3.01Å; C150-F169 HydrophobicContact CB-CZ 4Å; C150-C216 VanDerWaalsContact CA-SG 3.58Å; C150-C216 HydrophobicContact CB-CB 3.95Å; C150-C216 WeakPolarHBondContact CB-SG 3.15Å; C150-C216 VanDerWaalsContact SG-CA 3.58Å; C150-C216 WeakPolarHBondContact SG-CB 3.41Å; C150-C216 CovalentContact SG-SG 2.04Å; C150-C216 PolarHBondContact SG-SG 3.28Å
151	C	98.5	Very high	97.9	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.034	18%	0.175	C	C	.	.			trans	-85.9	85.8	176	-174.1	0	0	0	0	112.3	L147 S153 C154 F169	L147-C151 HydrophobicContact CD1-CB 3.99Å; L147-C151 VanDerWaalsContact O-CB 3.27Å; L147-C151 WeakPolarHBondContact O-CB 3.29Å; L147-C151 PolarHBondContact O-N 2.83Å; C151-S153 VanDerWaalsContact C-N 3.27Å; C151-S153 PolarHBondContact O-N 2.76Å; C151-S153 PolarHBondContact SG-OG 3.2Å; C151-C154 HydrophobicContact CB-CB 3.72Å; C151-C154 WeakPolarHBondContact CB-SG 3.28Å; C151-C154 WeakPolarHBondContact O-CB 3.41Å; C151-C154 PolarHBondContact O-N 2.84Å; C151-C154 VanDerWaalsContact O-N 3.16Å; C151-C154 WeakPolarHBondContact SG-CB 3.13Å; C151-C154 PolarHBondContact SG-N 3.21Å; C151-C154 CovalentContact SG-SG 2.02Å; C151-C154 PolarHBondContact SG-SG 2.81Å; C151-F169 HydrophobicContact CB-CB 4.19Å; C151-F169 HydrophobicContact CB-CD1 4.25Å; C151-F169 HydrophobicContact CB-CD2 3.6Å; C151-F169 HydrophobicContact CB-CE2 3.97Å; C151-F169 HydrophobicContact CB-CG 3.74Å; C151-F169 HydrophobicContact CB-CZ 4.45Å
152	E	97	Very high	97.9	Very high	182 Å²	182	30.9 Å²	30.9	85%	0.85	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-63.2	-32.1	177.3	-61.6	-176.3	172	0	0	112.8	C150 C154	C150-E152 PolarHBondContact O-N 3.01Å; E152-C154 PolarHBondContact O-N 2.91Å
153	S	96.1	Very high	97.9	Very high	85 Å²	85	31 Å²	31	59%	0.594	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-75.6	-8	178	58.7	0	0	0	0	114.2	C151	C151-S153 VanDerWaalsContact C-N 3.27Å; C151-S153 PolarHBondContact O-N 2.76Å; C151-S153 PolarHBondContact SG-OG 3.2Å
154	C	97.7	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-87.6	-15.1	-177.7	-65.3	0	0	0	0	113.5	W118 C151 E152 G161 I162 P165 A166	W118-C154 HydrophobicContact CE3-CB 4.05Å; W118-C154 HydrophobicContact CH2-CB 3.3Å; W118-C154 HydrophobicContact CZ2-CB 4.19Å; W118-C154 HydrophobicContact CZ3-CB 3.23Å; C151-C154 HydrophobicContact CB-CB 3.72Å; C151-C154 WeakPolarHBondContact CB-SG 3.28Å; C151-C154 WeakPolarHBondContact O-CB 3.41Å; C151-C154 PolarHBondContact O-N 2.84Å; C151-C154 VanDerWaalsContact O-N 3.16Å; C151-C154 WeakPolarHBondContact SG-CB 3.13Å; C151-C154 PolarHBondContact SG-N 3.21Å; C151-C154 CovalentContact SG-SG 2.02Å; C151-C154 PolarHBondContact SG-SG 2.81Å; E152-C154 PolarHBondContact O-N 2.91Å; C154-G161 CarbonylContact O-C 3.5Å; C154-G161 WeakPolarHBondContact O-CA 3.45Å; C154-I162 PolarHBondContact O-N 3.26Å; C154-P165 HydrophobicContact CB-CB 4.32Å; C154-P165 PolarHBondContact SG-O 3.47Å; C154-A166 VanDerWaalsContact SG-CA 3.5Å; C154-A166 PolarHBondContact SG-N 3.22Å; C154-A166 VanDerWaalsContact SG-N 3.4Å
155	G	94.9	Very high	97.9	Very high	31 Å²	31	31 Å²	31	32%	0.32	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	135.5	-139.9	-179.1	0	0	0	0	0	112.1
156	L	97.3	Very high	97.9	Very high	92 Å²	92	30.5 Å²	30.5	48%	0.482	17%	0.171	S	C	.	.			trans	-117.1	29.3	-168	-58	176.5	0	0	0	112.3	C158 E159 G160 T213	L156-C158 PolarHBondContact O-N 3.05Å; L156-C158 VanDerWaalsContact O-N 3.11Å; L156-E159 HydrophobicContact CB-CB 3.82Å; L156-E159 PolarHBondContact O-N 2.89Å; L156-E159 VanDerWaalsContact O-N 3.1Å; L156-G160 PolarHBondContact N-O 3.03Å; L156-T213 PolarHBondContact O-OG1 3.44Å; L156-T213 VanDerWaalsContact O-OG1 3.08Å
157	G	97.4	Very high	97.9	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.031	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-111.7	177.2	0	0	0	0	0	112.9	W118 E159 G160 T213	W118-G157 PolarHBondContact NE1-O 2.85Å; G157-E159 PolarHBondContact O-N 3.16Å; G157-G160 PolarHBondContact O-N 3.02Å; G157-T213 WeakPolarHBondContact CA-OG1 3.13Å
158	C	97.4	Very high	97.9	Very high	11 Å²	11	32.4 Å²	32.4	7%	0.074	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-7.9	177.5	-70.4	0	0	0	0	114.6	C114 G115 L156 G160 Y211 T213	C114-C158 HydrophobicContact CB-CB 3.94Å; C114-C158 WeakPolarHBondContact CB-SG 3.33Å; C114-C158 WeakPolarHBondContact SG-CA 3.38Å; C114-C158 WeakPolarHBondContact SG-CB 3.35Å; C114-C158 CovalentContact SG-SG 2.04Å; C114-C158 PolarHBondContact SG-SG 2.61Å; G115-C158 WeakPolarHBondContact CA-O 3.16Å; G115-C158 PolarHBondContact N-O 3.11Å; L156-C158 PolarHBondContact O-N 3.05Å; L156-C158 VanDerWaalsContact O-N 3.11Å; C158-G160 VanDerWaalsContact C-N 3.32Å; C158-Y211 WeakPolarHBondContact CB-O 3.45Å; C158-T213 PolarHBondContact N-OG1 3.25Å
159	E	97	Very high	97.9	Very high	143 Å²	143	33.3 Å²	33.3	67%	0.668	19%	0.185	S	C	*	.	B	Isolated β-bridge	trans	-96.6	10.1	174.2	-61.8	178.6	-112.7	0	0	112	R66 L156 G157	R66-E159 PolarHBondContact NH2-O 2.76Å; L156-E159 HydrophobicContact CB-CB 3.82Å; L156-E159 PolarHBondContact O-N 2.89Å; L156-E159 VanDerWaalsContact O-N 3.1Å; G157-E159 PolarHBondContact O-N 3.16Å
160	G	97.7	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.			trans	101.4	165.2	177.2	0	0	0	0	0	114.6	G64 G115 L156 G157 C158	G64-G160 CarbonylContact O-C 3.53Å; G64-G160 WeakPolarHBondContact O-CA 3.45Å; G115-G160 WeakPolarHBondContact O-CA 3.15Å; G115-G160 PolarHBondContact O-N 2.96Å; L156-G160 PolarHBondContact N-O 3.03Å; G157-G160 PolarHBondContact O-N 3.02Å; C158-G160 VanDerWaalsContact C-N 3.32Å
161	G	98.2	Very high	97.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.01	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-162.9	-170.2	-173.5	0	0	0	0	0	112.5	G64 R66 C154	G64-G161 PolarHBondContact O-N 2.99Å; R66-G161 PolarHBondContact N-O 2.79Å; C154-G161 CarbonylContact O-C 3.5Å; C154-G161 WeakPolarHBondContact O-CA 3.45Å
162	I	98.4	Very high	97.9	Very high	38 Å²	38	39.7 Å²	39.7	20%	0.195	21%	0.21	C	C	.	.			trans	-125.1	132	-167.3	-52.4	175.5	0	0	0	108.6	R66 E68 C154 P165	R66-I162 HydrophobicContact CB-CG1 4.5Å; E68-I162 HydrophobicContact CB-CG2 3.47Å; E68-I162 VanDerWaalsContact CB-CG2 3.47Å; E68-I162 HydrophobicContact CG-CG2 3.85Å; C154-I162 PolarHBondContact O-N 3.26Å; I162-P165 HydrophobicContact CB-CG 4.16Å; I162-P165 VanDerWaalsContact CG2-CD 3.49Å; I162-P165 HydrophobicContact CG2-CG 4.19Å
163	L	98.7	Very high	98	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-52.3	-175.5	-77.4	64.2	0	0	0	111.6	A65 W118 A166 E259 A288 I335	A65-L163 HydrophobicContact CB-CD1 3.96Å; W118-L163 HydrophobicContact CB-CD1 4.44Å; L163-A166 VanDerWaalsContact O-CB 3.27Å; L163-A166 WeakPolarHBondContact O-CB 3.3Å; L163-A166 PolarHBondContact O-N 3.28Å; L163-E259 HydrophobicContact CD2-CG 3.84Å; L163-E259 HydrophobicContact CG-CG 4.05Å; L163-A288 HydrophobicContact CD1-CB 3.97Å; L163-A288 HydrophobicContact CG-CB 4.34Å; L163-I335 HydrophobicContact CB-CG2 3.89Å; L163-I335 HydrophobicContact CD2-CG2 4.27Å
164	G	98.6	Very high	98.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-38.4	-70.2	177	0	0	0	0	0	114.8	R77 A166 W167 D168	R77-G164 VanDerWaalsContact CZ-CA 3.42Å; R77-G164 VanDerWaalsContact CZ-O 3.29Å; R77-G164 VanDerWaalsContact NH1-C 3.33Å; R77-G164 PolarHBondContact NH1-O 2.76Å; R77-G164 PolarHBondContact NH2-O 2.92Å; G164-A166 PolarHBondContact O-N 2.71Å; G164-A166 VanDerWaalsContact O-N 3.14Å; G164-W167 PolarHBondContact O-N 2.96Å; G164-W167 VanDerWaalsContact O-N 3.15Å; G164-D168 PolarHBondContact O-N 2.56Å
165	P	98.6	Very high	98.2	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.019	16%	0.161	C	C	.	.	H	α-helix	trans	-57	-26	-178.5	-29.2	37.6	0	0	0	115	C154 I162 D168 F169	C154-P165 HydrophobicContact CB-CB 4.32Å; C154-P165 PolarHBondContact SG-O 3.47Å; I162-P165 HydrophobicContact CB-CG 4.16Å; I162-P165 VanDerWaalsContact CG2-CD 3.49Å; I162-P165 HydrophobicContact CG2-CG 4.19Å; P165-D168 PolarHBondContact O-N 3.06Å; P165-F169 WeakPolarHBondContact O-CB 3.34Å; P165-F169 PolarHBondContact O-N 2.93Å
166	A	98.8	Very high	98.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.4	-43	177.3	0	0	0	0	0	111.8	W118 A122 L147 C154 L163 G164 F169 W170	W118-A166 HydrophobicContact CE3-CB 3.98Å; W118-A166 HydrophobicContact CZ3-CB 3.93Å; A122-A166 HydrophobicContact CB-CB 4Å; L147-A166 HydrophobicContact CD1-CB 4.26Å; L147-A166 HydrophobicContact CD2-CB 4.08Å; C154-A166 VanDerWaalsContact SG-CA 3.5Å; C154-A166 PolarHBondContact SG-N 3.22Å; C154-A166 VanDerWaalsContact SG-N 3.4Å; L163-A166 VanDerWaalsContact O-CB 3.27Å; L163-A166 WeakPolarHBondContact O-CB 3.3Å; L163-A166 PolarHBondContact O-N 3.28Å; G164-A166 PolarHBondContact O-N 2.71Å; G164-A166 VanDerWaalsContact O-N 3.14Å; A166-F169 PolarHBondContact O-N 3.12Å; A166-W170 PolarHBondContact O-N 3.37Å; A166-W170 VanDerWaalsContact O-N 3.1Å
167	W	98.9	Very high	98.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-70.8	-33.1	175	-68	76.2	0	0	0	112.5	A125 M126 G164 W170 V171 E259 I335 A336 G337	A125-W167 HydrophobicContact CB-CH2 3.78Å; A125-W167 HydrophobicContact CB-CZ2 3.77Å; M126-W167 HydrophobicContact CE-CB 4.11Å; M126-W167 HydrophobicContact CE-CD2 3.48Å; M126-W167 VanDerWaalsContact CE-CD2 3.48Å; M126-W167 HydrophobicContact CE-CE3 3.77Å; M126-W167 HydrophobicContact CE-CG 3.62Å; M126-W167 HydrophobicContact CE-CZ3 4.4Å; M126-W167 HydrophobicContact CG-CE3 4.11Å; M126-W167 HydrophobicContact CG-CH2 4.03Å; M126-W167 HydrophobicContact CG-CZ2 4.44Å; M126-W167 HydrophobicContact CG-CZ3 3.84Å; G164-W167 PolarHBondContact O-N 2.96Å; G164-W167 VanDerWaalsContact O-N 3.15Å; W167-W170 AromaticContact CE3-CE3 3.91Å; W167-W170 HydrophobicContact CE3-CE3 3.91Å; W167-W170 AromaticContact CE3-CZ3 3.98Å; W167-W170 HydrophobicContact CE3-CZ3 3.98Å; W167-W170 HydrophobicContact CZ3-CE3 4.28Å; W167-W170 AromaticContact CZ3-CZ3 3.97Å; W167-W170 HydrophobicContact CZ3-CZ3 3.97Å; W167-W170 PolarHBondContact O-N 2.99Å; W167-V171 WeakPolarHBondContact O-CG2 3.46Å; W167-V171 PolarHBondContact O-N 3.32Å; W167-E259 HydrophobicContact CZ2-CB 3.92Å; W167-E259 PolarHBondContact NE1-OE2 3.17Å; W167-I335 HydrophobicContact CB-CD1 3.98Å; W167-I335 HydrophobicContact CB-CG1 4.32Å; W167-I335 HydrophobicContact CD2-CG1 4.4Å; W167-I335 HydrophobicContact CG-CD1 3.95Å; W167-I335 HydrophobicContact CG-CG1 3.91Å; W167-I335 HydrophobicContact CG-CG2 4.43Å; W167-A336 HydrophobicContact CH2-CB 4.38Å; W167-A336 HydrophobicContact CZ3-CB 4.49Å; W167-G337 VanDerWaalsContact CE3-N 3.28Å
168	D	98.7	Very high	98.5	Very high	41 Å²	41	25.8 Å²	25.8	22%	0.219	13%	0.126	C	C	.	.	H	α-helix	trans	-64.9	-42.5	172.6	-66.4	-29.3	0	0	0	111.9	R77 G164 P165 W170 V171 K172 S238	R77-D168 IonicContact CZ-OD1 2.95Å; R77-D168 IonicContact CZ-OD2 3.36Å; R77-D168 IonicContact NH1-OD1 3.92Å; R77-D168 PolarHBondContact NH1-OD1 2.92Å; R77-D168 IonicContact NH1-OD2 2.72Å; R77-D168 PolarHBondContact NH1-OD2 2.66Å; R77-D168 IonicContact NH2-OD1 3.17Å; R77-D168 IonicContact NH2-OD2 3.83Å; R77-D168 PolarHBondContact NH2-OD2 2.99Å; G164-D168 PolarHBondContact O-N 2.56Å; P165-D168 PolarHBondContact O-N 3.06Å; D168-W170 VanDerWaalsContact C-N 3.3Å; D168-W170 PolarHBondContact O-N 2.78Å; D168-V171 PolarHBondContact O-N 2.57Å; D168-K172 VanDerWaalsContact O-CB 3.3Å; D168-K172 WeakPolarHBondContact O-CB 3.26Å; D168-K172 PolarHBondContact O-N 3.22Å; D168-S238 PolarHBondContact OD1-OG 2.84Å
169	F	98.8	Very high	98.5	Very high	23 Å²	23	25.4 Å²	25.4	10%	0.101	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-41.4	176.6	-176.9	-90.3	0	0	0	111	L147 C150 C151 P165 A166 V171 K172 E173 G174 I175	L147-F169 HydrophobicContact CD1-CB 4.25Å; L147-F169 HydrophobicContact CD1-CD1 3.66Å; L147-F169 HydrophobicContact CD1-CE1 4.36Å; L147-F169 HydrophobicContact CD1-CG 4.17Å; C150-F169 HydrophobicContact CB-CZ 4Å; C151-F169 HydrophobicContact CB-CB 4.19Å; C151-F169 HydrophobicContact CB-CD1 4.25Å; C151-F169 HydrophobicContact CB-CD2 3.6Å; C151-F169 HydrophobicContact CB-CE2 3.97Å; C151-F169 HydrophobicContact CB-CG 3.74Å; C151-F169 HydrophobicContact CB-CZ 4.45Å; P165-F169 WeakPolarHBondContact O-CB 3.34Å; P165-F169 PolarHBondContact O-N 2.93Å; A166-F169 PolarHBondContact O-N 3.12Å; F169-V171 VanDerWaalsContact C-N 3.3Å; F169-V171 PolarHBondContact O-N 3.3Å; F169-K172 PolarHBondContact O-N 3.3Å; F169-E173 HydrophobicContact CD1-CB 4.42Å; F169-E173 HydrophobicContact CD2-CB 4.1Å; F169-E173 HydrophobicContact CD2-CG 3.87Å; F169-E173 HydrophobicContact CE1-CB 4.12Å; F169-E173 HydrophobicContact CE2-CB 3.78Å; F169-E173 HydrophobicContact CE2-CG 3.67Å; F169-E173 HydrophobicContact CG-CB 4.42Å; F169-E173 HydrophobicContact CZ-CB 3.79Å; F169-E173 HydrophobicContact CZ-CG 4.2Å; F169-E173 PolarHBondContact O-N 3.16Å; F169-G174 WeakPolarHBondContact CE1-O 3.14Å; F169-G174 PolarHBondContact O-N 3.37Å; F169-I175 HydrophobicContact CD1-CG1 4.18Å; F169-I175 HydrophobicContact CE1-CG1 4.27Å
170	W	98.9	Very high	98.5	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-60.4	-37.4	174.6	178.2	54.4	0	0	0	113.1	M126 A166 W167 D168 G174 I175 H233 R234 G235 I339	M126-W170 HydrophobicContact CB-CD2 4.38Å; M126-W170 HydrophobicContact CB-CZ2 4.28Å; M126-W170 HydrophobicContact CE-CB 3.56Å; M126-W170 HydrophobicContact CE-CD2 4.15Å; M126-W170 HydrophobicContact CE-CE3 4.16Å; M126-W170 HydrophobicContact CE-CG 3.95Å; M126-W170 HydrophobicContact CG-CD2 3.78Å; M126-W170 HydrophobicContact CG-CE3 3.91Å; M126-W170 HydrophobicContact CG-CG 4.18Å; M126-W170 HydrophobicContact CG-CH2 4.49Å; M126-W170 HydrophobicContact CG-CZ2 4.39Å; M126-W170 HydrophobicContact CG-CZ3 4.27Å; M126-W170 HydrophobicContact SD-CB 3.72Å; M126-W170 HydrophobicContact SD-CD2 3.83Å; M126-W170 HydrophobicContact SD-CE3 4.3Å; M126-W170 HydrophobicContact SD-CG 3.57Å; M126-W170 VanDerWaalsContact SD-CG 3.57Å; A166-W170 PolarHBondContact O-N 3.37Å; A166-W170 VanDerWaalsContact O-N 3.1Å; W167-W170 AromaticContact CE3-CE3 3.91Å; W167-W170 HydrophobicContact CE3-CE3 3.91Å; W167-W170 AromaticContact CE3-CZ3 3.98Å; W167-W170 HydrophobicContact CE3-CZ3 3.98Å; W167-W170 HydrophobicContact CZ3-CE3 4.28Å; W167-W170 AromaticContact CZ3-CZ3 3.97Å; W167-W170 HydrophobicContact CZ3-CZ3 3.97Å; W167-W170 PolarHBondContact O-N 2.99Å; D168-W170 VanDerWaalsContact C-N 3.3Å; D168-W170 PolarHBondContact O-N 2.78Å; W170-G174 VanDerWaalsContact O-CA 3.29Å; W170-G174 WeakPolarHBondContact O-CA 3.38Å; W170-G174 PolarHBondContact O-N 2.95Å; W170-I175 HydrophobicContact CB-CD1 3.93Å; W170-I175 HydrophobicContact CB-CG1 4.44Å; W170-I175 HydrophobicContact CG-CD1 4.25Å; W170-H233 PolarHBondContact NE1-O 2.79Å; W170-H233 VanDerWaalsContact NE1-O 3.17Å; W170-R234 WeakPolarHBondContact O-CA 3.03Å; W170-G235 VanDerWaalsContact CE2-CA 3.48Å; W170-G235 VanDerWaalsContact CZ2-CA 3.49Å; W170-G235 PolarHBondContact O-N 3.32Å; W170-G235 VanDerWaalsContact O-N 3.09Å; W170-I339 HydrophobicContact CH2-CG2 3.61Å; W170-I339 HydrophobicContact CZ2-CG2 3.65Å
171	V	98.7	Very high	98.5	Very high	34 Å²	34	23.2 Å²	23.2	21%	0.206	11%	0.114	C	C	.	.	H	α-helix	trans	-72.3	-46.7	174.8	175.6	0	0	0	0	111.4	W167 D168 F169 R234 G235 S237	W167-V171 WeakPolarHBondContact O-CG2 3.46Å; W167-V171 PolarHBondContact O-N 3.32Å; D168-V171 PolarHBondContact O-N 2.57Å; F169-V171 VanDerWaalsContact C-N 3.3Å; F169-V171 PolarHBondContact O-N 3.3Å; V171-R234 PolarHBondContact O-NE 2.87Å; V171-R234 VanDerWaalsContact O-NE 3.08Å; V171-R234 PolarHBondContact O-NH2 2.9Å; V171-G235 WeakPolarHBondContact CA-O 3.47Å; V171-S237 VanDerWaalsContact CG2-C 3.47Å
172	K	98.5	Very high	98.3	Very high	142 Å²	142	26.5 Å²	26.5	62%	0.617	13%	0.129	S	C	*	.	H	α-helix	trans	-78.1	-40.8	-170.9	-170.8	-168.3	171.3	-160.4	0	114.1	D168 F169 R234	D168-K172 VanDerWaalsContact O-CB 3.3Å; D168-K172 WeakPolarHBondContact O-CB 3.26Å; D168-K172 PolarHBondContact O-N 3.22Å; F169-K172 PolarHBondContact O-N 3.3Å; K172-R234 VanDerWaalsContact C-NH2 3.27Å; K172-R234 PolarHBondContact O-NH2 3.33Å
173	E	98.5	Very high	98.1	Very high	86 Å²	86	29.6 Å²	29.6	40%	0.402	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-28.7	-173.2	-56.6	-58.8	155.6	0	0	111.8	F169	F169-E173 HydrophobicContact CD1-CB 4.42Å; F169-E173 HydrophobicContact CD2-CB 4.1Å; F169-E173 HydrophobicContact CD2-CG 3.87Å; F169-E173 HydrophobicContact CE1-CB 4.12Å; F169-E173 HydrophobicContact CE2-CB 3.78Å; F169-E173 HydrophobicContact CE2-CG 3.67Å; F169-E173 HydrophobicContact CG-CB 4.42Å; F169-E173 HydrophobicContact CZ-CB 3.79Å; F169-E173 HydrophobicContact CZ-CG 4.2Å; F169-E173 PolarHBondContact O-N 3.16Å
174	G	98.6	Very high	98	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.			trans	77.4	169.8	-173.8	0	0	0	0	0	113	F169 W170 K232 H233	F169-G174 WeakPolarHBondContact CE1-O 3.14Å; F169-G174 PolarHBondContact O-N 3.37Å; W170-G174 VanDerWaalsContact O-CA 3.29Å; W170-G174 WeakPolarHBondContact O-CA 3.38Å; W170-G174 PolarHBondContact O-N 2.95Å; G174-K232 VanDerWaalsContact C-CD 3.46Å; G174-K232 WeakPolarHBondContact O-CD 3.42Å; G174-K232 PolarHBondContact O-NZ 2.95Å; G174-H233 CarbonylContact C-O 3.5Å; G174-H233 VanDerWaalsContact CA-O 3.22Å; G174-H233 WeakPolarHBondContact CA-O 3.22Å
175	I	98.9	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-130.5	135.3	-177.4	-58.8	168.6	0	0	0	108.5	V123 M126 L142 S143 D146 L147 F169 W170 H233	V123-I175 HydrophobicContact CG1-CD1 4.05Å; V123-I175 HydrophobicContact CG1-CG2 4.35Å; M126-I175 HydrophobicContact SD-CD1 3.69Å; L142-I175 HydrophobicContact CB-CG2 4.11Å; S143-I175 WeakPolarHBondContact O-CG2 3.46Å; D146-I175 HydrophobicContact CB-CG2 4.31Å; D146-I175 VanDerWaalsContact OD2-CA 3.31Å; D146-I175 WeakPolarHBondContact OD2-CA 3.4Å; L147-I175 HydrophobicContact CB-CD1 4.05Å; L147-I175 HydrophobicContact CB-CG1 4.44Å; L147-I175 HydrophobicContact CD1-CD1 4.08Å; L147-I175 HydrophobicContact CD2-CD1 4.1Å; L147-I175 HydrophobicContact CG-CD1 4.29Å; F169-I175 HydrophobicContact CD1-CG1 4.18Å; F169-I175 HydrophobicContact CE1-CG1 4.27Å; W170-I175 HydrophobicContact CB-CD1 3.93Å; W170-I175 HydrophobicContact CB-CG1 4.44Å; W170-I175 HydrophobicContact CG-CD1 4.25Å; I175-H233 PolarHBondContact N-O 2.81Å; I175-H233 PolarHBondContact O-N 3.03Å
176	V	98.9	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.			trans	-77.8	168.6	177.1	-56.8	0	0	0	0	111.6	S143 D146 C187 E188 Y228 D231 K232	S143-V176 VanDerWaalsContact CB-O 3.29Å; S143-V176 WeakPolarHBondContact CB-O 3.42Å; S143-V176 PolarHBondContact N-O 2.84Å; D146-V176 HydrophobicContact CB-CG2 3.77Å; D146-V176 PolarHBondContact OD2-N 3.08Å; V176-C187 HydrophobicContact CB-CB 3.83Å; V176-C187 HydrophobicContact CG2-CB 3.82Å; V176-E188 HydrophobicContact CG2-CB 4.11Å; V176-E188 HydrophobicContact CG2-CG 4.09Å; V176-Y228 HydrophobicContact CG1-CD2 3.65Å; V176-Y228 HydrophobicContact CG1-CE2 3.61Å; V176-Y228 HydrophobicContact CG1-CG 4.24Å; V176-Y228 WeakPolarHBondContact CG1-O 3.37Å; V176-Y228 HydrophobicContact CG2-CD2 4.36Å; V176-Y228 HydrophobicContact CG2-CE2 4.1Å; V176-D231 WeakPolarHBondContact CA-O 3.34Å; V176-D231 HydrophobicContact CB-CB 4.26Å; V176-D231 HydrophobicContact CG1-CB 4.22Å; V176-K232 HydrophobicContact CG1-CD 3.69Å; V176-K232 HydrophobicContact CG1-CG 4.01Å
177	T	98.9	Very high	97.9	Very high	12 Å²	12	39.2 Å²	39.2	7%	0.074	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-71.7	150.7	172.3	63.9	0	0	0	0	111.6	V140 E141 G186 C187 E188 Y224 D231	V140-T177 HydrophobicContact CB-CG2 4.19Å; V140-T177 HydrophobicContact CG1-CG2 4.26Å; E141-T177 CarbonylContact O-C 3.54Å; E141-T177 VanDerWaalsContact O-CA 3.26Å; E141-T177 WeakPolarHBondContact O-CA 3.46Å; T177-G186 VanDerWaalsContact OG1-CA 3.22Å; T177-G186 WeakPolarHBondContact OG1-CA 3.44Å; T177-C187 WeakPolarHBondContact O-CA 3.33Å; T177-C187 WeakPolarHBondContact O-CB 3.13Å; T177-C187 PolarHBondContact O-N 3.46Å; T177-C187 PolarHBondContact OG1-N 3.39Å; T177-E188 PolarHBondContact O-N 3.11Å; T177-Y224 PolarHBondContact OG1-OH 2.85Å; T177-D231 WeakPolarHBondContact CB-OD2 3.37Å; T177-D231 PolarHBondContact N-OD2 2.74Å; T177-D231 PolarHBondContact OG1-OD2 3.48Å
178	G	98.7	Very high	97.8	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.021	20%	0.201	C	C	.	.			trans	-179.1	119.6	177.5	0	0	0	0	0	113.2	E141 E188	E141-G178 PolarHBondContact O-N 3.08Å; G178-E188 VanDerWaalsContact CA-O 3.3Å; G178-E188 WeakPolarHBondContact CA-O 3.47Å
179	S	98.2	Very high	97.8	Very high	3 Å²	3	39 Å²	39	2%	0.021	20%	0.198	C	C	.	.			trans	-80.8	-174.3	-179.1	72.6	0	0	0	0	114	E141 N183 H184 T185 P189 Y190	E141-S179 VanDerWaalsContact OE2-CA 3.29Å; E141-S179 WeakPolarHBondContact OE2-CA 3.35Å; E141-S179 WeakPolarHBondContact OE2-CB 3.4Å; S179-N183 WeakPolarHBondContact OG-CB 3.44Å; S179-H184 PolarHBondContact OG-N 3.11Å; S179-T185 WeakPolarHBondContact CB-O 3.27Å; S179-T185 WeakPolarHBondContact CB-OG1 3.39Å; S179-T185 PolarHBondContact N-O 2.9Å; S179-T185 PolarHBondContact OG-N 3.44Å; S179-T185 PolarHBondContact OG-O 3.2Å; S179-T185 PolarHBondContact OG-OG1 3.1Å; S179-P189 CarbonylContact O-C 3.19Å; S179-P189 WeakPolarHBondContact O-CA 3.38Å; S179-Y190 PolarHBondContact O-N 2.79Å
180	S	97.3	Very high	97.8	Very high	18 Å²	18	38.3 Å²	38.3	13%	0.126	20%	0.195	C	C	.	.			trans	-58.1	164.1	160.6	92.5	0	0	0	0	111.9	E182 N183	S180-E182 WeakPolarHBondContact CB-OE2 3.26Å; S180-E182 PolarHBondContact O-N 3.35Å; S180-E182 PolarHBondContact OG-N 2.89Å; S180-E182 PolarHBondContact OG-OE2 3.29Å; S180-N183 PolarHBondContact O-N 3.36Å
181	K	96	Very high	97.7	Very high	79 Å²	79	40.3 Å²	40.3	34%	0.343	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-40.8	177	-175.5	-172.9	-178.7	63.3	0	112	H184 Y190 P191 F192 P193	K181-H184 PolarHBondContact O-CD2 2.04Å; K181-H184 PolarHBondContact O-CE1 2.96Å; K181-H184 PolarHBondContact O-ND1 2.87Å; K181-H184 PolarHBondContact O-NE2 3.37Å; K181-Y190 WeakPolarHBondContact CA-O 3.45Å; K181-Y190 WeakPolarHBondContact CB-O 3.42Å; K181-Y190 PolarHBondContact N-O 2.89Å; K181-P191 PolarHBondContact NZ-O 2.81Å; K181-F192 WeakPolarHBondContact CB-O 3.43Å; K181-P193 VanDerWaalsContact CD-CA 3.47Å; K181-P193 HydrophobicContact CD-CB 3.77Å
182	E	94	Very high	97.6	Very high	70 Å²	70	39.6 Å²	39.6	33%	0.327	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-33.5	-171.2	-60.2	66.7	-144.1	0	0	112.2	S180 H184 P193 K194	S180-E182 WeakPolarHBondContact CB-OE2 3.26Å; S180-E182 PolarHBondContact O-N 3.35Å; S180-E182 PolarHBondContact OG-N 2.89Å; S180-E182 PolarHBondContact OG-OE2 3.29Å; E182-H184 PolarHBondContact O-CD2 3.28Å; E182-H184 VanDerWaalsContact O-CD2 3.22Å; E182-P193 WeakPolarHBondContact OE1-CA 3Å; E182-K194 PolarHBondContact OE1-N 3.49Å; E182-K194 WeakPolarHBondContact OE2-CD 3.14Å; E182-K194 WeakPolarHBondContact OE2-CG 3.48Å
183	N	95.4	Very high	97.3	Very high	103 Å²	103	34.2 Å²	34.2	55%	0.551	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-28.9	-178.7	-74.6	-10	0	0	0	112.7	S179 S180 T185	S179-N183 WeakPolarHBondContact OG-CB 3.44Å; S180-N183 PolarHBondContact O-N 3.36Å; N183-T185 VanDerWaalsContact C-N 3.26Å; N183-T185 WeakPolarHBondContact O-CG2 3.29Å; N183-T185 PolarHBondContact O-N 3.09Å
184	H	95.3	Very high	97	Very high	120 Å²	120	31.1 Å²	31.1	56%	0.556	17%	0.167	S	C	*	.			trans	54.4	33.5	179.5	-59.7	-72.5	0	0	0	114.8	S179 K181 E182 Q221	S179-H184 PolarHBondContact OG-N 3.11Å; K181-H184 PolarHBondContact O-CD2 2.04Å; K181-H184 PolarHBondContact O-CE1 2.96Å; K181-H184 PolarHBondContact O-ND1 2.87Å; K181-H184 PolarHBondContact O-NE2 3.37Å; E182-H184 PolarHBondContact O-CD2 3.28Å; E182-H184 VanDerWaalsContact O-CD2 3.22Å; H184-Q221 PolarHBondContact O-NE2 3.24Å
185	T	97.1	Very high	96.2	Very high	78 Å²	78	31.2 Å²	31.2	48%	0.479	17%	0.167	S	C	.	.			trans	-113.1	159.5	179.5	61.3	0	0	0	0	113.2	S179 N183 P189	S179-T185 WeakPolarHBondContact CB-O 3.27Å; S179-T185 WeakPolarHBondContact CB-OG1 3.39Å; S179-T185 PolarHBondContact N-O 2.9Å; S179-T185 PolarHBondContact OG-N 3.44Å; S179-T185 PolarHBondContact OG-O 3.2Å; S179-T185 PolarHBondContact OG-OG1 3.1Å; N183-T185 VanDerWaalsContact C-N 3.26Å; N183-T185 WeakPolarHBondContact O-CG2 3.29Å; N183-T185 PolarHBondContact O-N 3.09Å; T185-P189 WeakPolarHBondContact O-CG 3.39Å
186	G	98.1	Very high	95.1	Very high	12 Å²	12	31.5 Å²	31.5	12%	0.124	17%	0.169	C	C	.	.	S	Bend	trans	84.2	-178.1	-174.3	0	0	0	0	0	113.8	T177 Q221 Y224	T177-G186 VanDerWaalsContact OG1-CA 3.22Å; T177-G186 WeakPolarHBondContact OG1-CA 3.44Å; G186-Q221 PolarHBondContact O-NE2 2.96Å; G186-Y224 VanDerWaalsContact C-CD2 3.48Å; G186-Y224 WeakPolarHBondContact O-CD2 3.43Å
187	C	98.7	Very high	93.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-67.4	-54.9	179.7	175.1	0	0	0	0	112.2	V176 T177 C220 Q221 Y224 D231	V176-C187 HydrophobicContact CB-CB 3.83Å; V176-C187 HydrophobicContact CG2-CB 3.82Å; T177-C187 WeakPolarHBondContact O-CA 3.33Å; T177-C187 WeakPolarHBondContact O-CB 3.13Å; T177-C187 PolarHBondContact O-N 3.46Å; T177-C187 PolarHBondContact OG1-N 3.39Å; C187-C220 HydrophobicContact CB-CB 3.82Å; C187-C220 WeakPolarHBondContact CB-SG 3.47Å; C187-C220 CarbonylContact O-C 3.58Å; C187-C220 VanDerWaalsContact O-CA 3.28Å; C187-C220 WeakPolarHBondContact O-CA 3.39Å; C187-C220 WeakPolarHBondContact SG-CA 3.16Å; C187-C220 WeakPolarHBondContact SG-CB 3.21Å; C187-C220 CovalentContact SG-SG 2.03Å; C187-C220 PolarHBondContact SG-SG 3.17Å; C187-Q221 PolarHBondContact O-N 2.94Å; C187-Y224 HydrophobicContact CB-CD1 3.82Å; C187-Y224 HydrophobicContact CB-CE1 3.79Å; C187-D231 HydrophobicContact CB-CB 4.33Å; C187-D231 WeakPolarHBondContact CB-OD2 3.26Å
188	E	98.6	Very high	91.5	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.056	19%	0.19	C	C	.	.	S	Bend	trans	-127.9	84.6	-177.9	-66.5	-166.8	167	0	0	111.6	S143 V145 V176 T177 G178 T219	S143-E188 WeakPolarHBondContact CB-O 3.17Å; S143-E188 PolarHBondContact OG-O 2.87Å; V145-E188 HydrophobicContact CG1-CB 3.93Å; V145-E188 VanDerWaalsContact CG1-O 3.3Å; V145-E188 WeakPolarHBondContact CG1-O 3.22Å; V176-E188 HydrophobicContact CG2-CB 4.11Å; V176-E188 HydrophobicContact CG2-CG 4.09Å; T177-E188 PolarHBondContact O-N 3.11Å; G178-E188 VanDerWaalsContact CA-O 3.3Å; G178-E188 WeakPolarHBondContact CA-O 3.47Å; E188-T219 PolarHBondContact OE1-N 2.92Å
189	P	98.4	Very high	90	Very high	23 Å²	23	38.7 Å²	38.7	15%	0.149	20%	0.204	C	C	.	.			trans	-60.8	150.1	172.8	-15.5	25.3	0	0	0	112.4	S179 T185	S179-P189 CarbonylContact O-C 3.19Å; S179-P189 WeakPolarHBondContact O-CA 3.38Å; T185-P189 WeakPolarHBondContact O-CG 3.39Å
190	Y	98.3	Very high	88.7	Confident	10 Å²	10	48.6 Å²	48.6	4%	0.039	25%	0.247	C	C	.	.			trans	-58.6	133	178.7	-161	-120.1	0	0	0	111	Q111 S116 F120 A144 V145 L148 S179 K181 F192	Q111-Y190 WeakPolarHBondContact O-CE1 3.18Å; Q111-Y190 PolarHBondContact O-OH 3.31Å; S116-Y190 PolarHBondContact OG-OH 2.88Å; F120-Y190 HydrophobicContact CE2-CD2 4.23Å; F120-Y190 HydrophobicContact CE2-CE1 4.19Å; F120-Y190 AromaticContact CE2-CE2 3.54Å; F120-Y190 HydrophobicContact CE2-CE2 3.54Å; F120-Y190 AromaticContact CE2-CZ 3.51Å; F120-Y190 WeakPolarHBondContact CE2-OH 3.31Å; F120-Y190 HydrophobicContact CZ-CD1 4.07Å; F120-Y190 AromaticContact CZ-CD2 3.96Å; F120-Y190 HydrophobicContact CZ-CD2 3.96Å; F120-Y190 AromaticContact CZ-CE1 3.74Å; F120-Y190 HydrophobicContact CZ-CE1 3.74Å; F120-Y190 AromaticContact CZ-CE2 3.65Å; F120-Y190 HydrophobicContact CZ-CE2 3.65Å; F120-Y190 HydrophobicContact CZ-CG 4.17Å; F120-Y190 AromaticContact CZ-CZ 3.53Å; A144-Y190 HydrophobicContact CB-CD2 4.13Å; A144-Y190 HydrophobicContact CB-CE2 4.3Å; V145-Y190 HydrophobicContact CB-CD2 4.1Å; L148-Y190 HydrophobicContact CD2-CD2 4.49Å; L148-Y190 HydrophobicContact CD2-CE2 3.61Å; S179-Y190 PolarHBondContact O-N 2.79Å; K181-Y190 WeakPolarHBondContact CA-O 3.45Å; K181-Y190 WeakPolarHBondContact CB-O 3.42Å; K181-Y190 PolarHBondContact N-O 2.89Å; Y190-F192 HydrophobicContact CD1-CB 4.12Å; Y190-F192 HydrophobicContact CD1-CD2 4.49Å; Y190-F192 WeakPolarHBondContact CD1-O 3.43Å; Y190-F192 HydrophobicContact CE1-CB 3.72Å; Y190-F192 AromaticContact CE1-CD2 3.66Å; Y190-F192 HydrophobicContact CE1-CD2 3.66Å; Y190-F192 HydrophobicContact CE1-CG 4.11Å; Y190-F192 HydrophobicContact CE2-CD2 4.22Å; Y190-F192 AromaticContact CZ-CD2 3.49Å; Y190-F192 VanDerWaalsContact CZ-CD2 3.49Å; Y190-F192 WeakPolarHBondContact OH-CD2 3.38Å
191	P	97	Very high	87.7	Confident	42 Å²	42	50 Å²	50	27%	0.273	27%	0.265	S	S	.	.	S	Bend	trans	-82.9	-19.3	-171.4	30.5	-35	0	0	0	113.7	V145 K181 P214	V145-P191 HydrophobicContact CG2-CG 3.99Å; K181-P191 PolarHBondContact NZ-O 2.81Å; P191-P214 HydrophobicContact CG-CG 3.88Å
192	F	95.6	Very high	87	Confident	19 Å²	19	51.7 Å²	51.7	8%	0.083	27%	0.272	C	S	.	.	S	Bend	trans	-98.7	138.6	-174.2	-45.1	-43.6	0	0	0	110.8	C114 K181 Y190 Y211 P214	C114-F192 HydrophobicContact CB-CD2 3.84Å; C114-F192 HydrophobicContact CB-CE2 3.82Å; K181-F192 WeakPolarHBondContact CB-O 3.43Å; Y190-F192 HydrophobicContact CD1-CB 4.12Å; Y190-F192 HydrophobicContact CD1-CD2 4.49Å; Y190-F192 WeakPolarHBondContact CD1-O 3.43Å; Y190-F192 HydrophobicContact CE1-CB 3.72Å; Y190-F192 AromaticContact CE1-CD2 3.66Å; Y190-F192 HydrophobicContact CE1-CD2 3.66Å; Y190-F192 HydrophobicContact CE1-CG 4.11Å; Y190-F192 HydrophobicContact CE2-CD2 4.22Å; Y190-F192 AromaticContact CZ-CD2 3.49Å; Y190-F192 VanDerWaalsContact CZ-CD2 3.49Å; Y190-F192 WeakPolarHBondContact OH-CD2 3.38Å; F192-Y211 HydrophobicContact CB-CD2 3.95Å; F192-Y211 HydrophobicContact CB-CE2 3.86Å; F192-Y211 HydrophobicContact CB-CG 4.37Å; F192-Y211 AromaticContact CD1-CD1 3.33Å; F192-Y211 HydrophobicContact CD1-CD1 3.33Å; F192-Y211 AromaticContact CD1-CD2 3.97Å; F192-Y211 HydrophobicContact CD1-CD2 3.97Å; F192-Y211 AromaticContact CD1-CE1 3.71Å; F192-Y211 HydrophobicContact CD1-CE1 3.71Å; F192-Y211 HydrophobicContact CD1-CE2 4.32Å; F192-Y211 AromaticContact CD1-CG 3.49Å; F192-Y211 HydrophobicContact CD1-CG 3.49Å; F192-Y211 VanDerWaalsContact CD1-CG 3.49Å; F192-Y211 HydrophobicContact CD2-CD2 4.16Å; F192-Y211 HydrophobicContact CD2-CG 4.1Å; F192-Y211 AromaticContact CE1-CD1 3.55Å; F192-Y211 HydrophobicContact CE1-CD1 3.55Å; F192-Y211 HydrophobicContact CE1-CE1 4.32Å; F192-Y211 AromaticContact CE1-CG 3.71Å; F192-Y211 HydrophobicContact CE1-CG 3.71Å; F192-Y211 HydrophobicContact CE2-CG 4.31Å; F192-Y211 HydrophobicContact CG-CD1 4Å; F192-Y211 AromaticContact CG-CD2 3.76Å; F192-Y211 HydrophobicContact CG-CD2 3.76Å; F192-Y211 HydrophobicContact CG-CE1 4.33Å; F192-Y211 HydrophobicContact CG-CE2 4.13Å; F192-Y211 AromaticContact CG-CG 3.72Å; F192-Y211 HydrophobicContact CG-CG 3.72Å; F192-Y211 HydrophobicContact CZ-CD1 4.36Å; F192-Y211 HydrophobicContact CZ-CG 4.11Å; F192-P214 HydrophobicContact CE1-CG 4.32Å; F192-P214 HydrophobicContact CE2-CG 4.33Å; F192-P214 HydrophobicContact CZ-CG 3.62Å
193	P	93	Very high	86.4	Confident	29 Å²	29	50.3 Å²	50.3	19%	0.188	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-71.1	145	-173.8	30.5	-34.5	0	0	0	111.5	S112 K181 E182 Y211	S112-P193 VanDerWaalsContact CB-O 3.23Å; S112-P193 WeakPolarHBondContact CB-O 3.18Å; S112-P193 PolarHBondContact OG-O 2.8Å; K181-P193 VanDerWaalsContact CD-CA 3.47Å; K181-P193 HydrophobicContact CD-CB 3.77Å; E182-P193 WeakPolarHBondContact OE1-CA 3Å; P193-Y211 WeakPolarHBondContact CD-OH 3.19Å
194	K	91.8	Very high	85.5	Confident	22 Å²	22	49 Å²	49	10%	0.096	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-54.1	138.9	152.9	-79.8	170.8	162	-88.5	0	107.7	D110 E182 Y203 E311	D110-K194 HydrophobicContact CB-CB 4.31Å; D110-K194 HydrophobicContact CB-CG 3.59Å; E182-K194 PolarHBondContact OE1-N 3.49Å; E182-K194 WeakPolarHBondContact OE2-CD 3.14Å; E182-K194 WeakPolarHBondContact OE2-CG 3.48Å; K194-Y203 HydrophobicContact CB-CD1 3.73Å; K194-Y203 HydrophobicContact CB-CD2 4.28Å; K194-Y203 HydrophobicContact CB-CE1 3.86Å; K194-Y203 HydrophobicContact CB-CE2 4.32Å; K194-Y203 HydrophobicContact CB-CG 3.95Å; K194-Y203 HydrophobicContact CD-CD1 4.41Å; K194-Y203 HydrophobicContact CD-CE1 3.67Å; K194-Y203 HydrophobicContact CD-CE2 4.42Å; K194-Y203 HydrophobicContact CG-CE1 4.35Å; K194-Y203 PolarHBondContact NZ-OH 3.21Å; K194-Y203 VanDerWaalsContact NZ-OH 3.12Å; K194-E311 IonicContact NZ-OE2 3.54Å; K194-E311 PolarHBondContact NZ-OE2 2.9Å
195	C	82.6	Confident	84.7	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.007	27%	0.268	C	S	.	.			trans	-148.9	141.9	-173.9	67.1	0	0	0	0	113.4	D110 P204 C206 N310	D110-C195 PolarHBondContact OD2-N 2.95Å; C195-P204 CarbonylContact C-O 3.52Å; C195-P204 WeakPolarHBondContact CA-O 3.34Å; C195-P204 VanDerWaalsContact CB-O 3.31Å; C195-P204 WeakPolarHBondContact CB-O 3.46Å; C195-C206 HydrophobicContact CB-CB 3.71Å; C195-C206 WeakPolarHBondContact CB-SG 3.31Å; C195-C206 PolarHBondContact O-SG 3.4Å; C195-C206 WeakPolarHBondContact SG-CA 3.03Å; C195-C206 WeakPolarHBondContact SG-CB 3.39Å; C195-C206 CovalentContact SG-SG 2.01Å; C195-C206 PolarHBondContact SG-SG 3Å; C195-N310 PolarHBondContact O-ND2 3.36Å
196	E	76.1	Confident	83.6	Confident	7 Å²	7	45.2 Å²	45.2	3%	0.033	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-77.8	130.5	168.7	-61.5	-60.9	164.8	0	0	107.2	T199 G201 K202 Y203 P204 P205 C206	E196-T199 HydrophobicContact CB-CG2 4.27Å; E196-T199 WeakPolarHBondContact OE2-CG2 3.34Å; E196-G201 WeakPolarHBondContact OE1-CA 3.34Å; E196-K202 PolarHBondContact OE1-N 3.15Å; E196-Y203 WeakPolarHBondContact CG-O 3.45Å; E196-Y203 WeakPolarHBondContact OE1-CD2 3.4Å; E196-Y203 PolarHBondContact OE1-N 3.26Å; E196-P204 PolarHBondContact N-O 2.93Å; E196-P205 CarbonylContact O-C 3.55Å; E196-P205 VanDerWaalsContact O-CA 3.25Å; E196-P205 WeakPolarHBondContact O-CA 3.47Å; E196-C206 VanDerWaalsContact C-SG 3.59Å; E196-C206 PolarHBondContact O-N 2.96Å; E196-C206 PolarHBondContact O-SG 2.87Å; E196-C206 VanDerWaalsContact O-SG 3.36Å
197	H	62.6	Low	82.6	Confident	5 Å²	5	47 Å²	47	2%	0.023	27%	0.267	C	S	.	.	S	Bend	trans	-93.2	118.6	166.4	-69.9	90.1	0	0	0	106.2	N51 R52 Q62 T199 C206	N51-H197 CarbonylContact C-O 3.04Å; N51-H197 VanDerWaalsContact C-O 3.29Å; N51-H197 CarbonylContact O-C 3.54Å; N51-H197 WeakPolarHBondContact O-CB 3.3Å; R52-H197 HydrophobicContact CB-CB 4.41Å; R52-H197 HydrophobicContact CG-CB 4.22Å; R52-H197 WeakPolarHBondContact CG-ND1 3.39Å; R52-H197 WeakPolarHBondContact O-CB 3.4Å; R52-H197 PolarHBondContact O-CD2 3.38Å; Q62-H197 PolarHBondContact NE2-NE2 3.02Å; Q62-H197 PolarHBondContact OE1-CE1 2.94Å; Q62-H197 PolarHBondContact OE1-NE2 3.07Å; H197-T199 PolarHBondContact O-N 3.2Å; H197-C206 PolarHBondContact CD2-SG 2.89Å; H197-C206 PolarHBondContact CE1-SG 2.93Å; H197-C206 PolarHBondContact ND1-SG 2.96Å; H197-C206 PolarHBondContact NE2-SG 3.4Å
198	H	59.2	Low	81.9	Confident	105 Å²	105	52.2 Å²	52.2	49%	0.486	30%	0.304	S	S	.	.	S	Bend	trans	50.6	16.4	163.6	-50	-75.6	0	0	0	118.9	H54	H54-H198 AromaticContact CD2-CD2 3.13Å; H54-H198 PolarHBondContact CD2-CD2 3.23Å; H54-H198 AromaticContact CD2-CE1 3.26Å; H54-H198 PolarHBondContact CD2-CE1 3.34Å; H54-H198 AromaticContact CD2-CG 3.07Å; H54-H198 AromaticContact CD2-ND1 3.15Å; H54-H198 PolarHBondContact CD2-ND1 3.42Å; H54-H198 AromaticContact CD2-NE2 3.28Å; H54-H198 PolarHBondContact CD2-NE2 3.1Å; H54-H198 VanDerWaalsContact CD2-NE2 3.28Å; H54-H198 WeakPolarHBondContact CE1-CB 3.41Å; H54-H198 AromaticContact CE1-CD2 3.65Å; H54-H198 AromaticContact CE1-CG 3.48Å; H54-H198 VanDerWaalsContact CE1-CG 3.48Å; H54-H198 AromaticContact CG-CD2 3.37Å; H54-H198 AromaticContact CG-CE1 4Å; H54-H198 AromaticContact CG-CG 3.76Å; H54-H198 AromaticContact CG-NE2 3.57Å; H54-H198 AromaticContact ND1-CD2 3.68Å; H54-H198 AromaticContact ND1-CG 3.97Å; H54-H198 WeakPolarHBondContact NE2-CB 3.5Å; H54-H198 AromaticContact NE2-CD2 3.38Å; H54-H198 PolarHBondContact NE2-CD2 3.36Å; H54-H198 AromaticContact NE2-CE1 3.9Å; H54-H198 AromaticContact NE2-CG 2.91Å; H54-H198 AromaticContact NE2-ND1 3.3Å; H54-H198 PolarHBondContact NE2-ND1 3.17Å; H54-H198 AromaticContact NE2-NE2 3.99Å
199	T	66.6	Low	81.3	Confident	54 Å²	54	57.9 Å²	57.9	33%	0.331	33%	0.328	S	S	.	.	S	Bend	trans	-122.9	159.9	168.3	-171.6	0	0	0	0	109.2	N51 E196 H197	N51-T199 HydrophobicContact CB-CG2 3.95Å; E196-T199 HydrophobicContact CB-CG2 4.27Å; E196-T199 WeakPolarHBondContact OE2-CG2 3.34Å; H197-T199 PolarHBondContact O-N 3.2Å
200	K	71.2	Confident	80.9	Confident	212 Å²	212	62.2 Å²	62.2	92%	0.922	35%	0.349	S	S	*	.			trans	-85.2	112.4	165.7	-70.5	-176.4	-179.7	179.1	0	106.9
201	G	76.7	Confident	80.7	Confident	48 Å²	48	63.2 Å²	63.2	50%	0.495	35%	0.353	S	S	.	.	S	Bend	trans	-137.1	-156.6	176.6	0	0	0	0	0	111.3	E196	E196-G201 WeakPolarHBondContact OE1-CA 3.34Å
202	K	81.3	Confident	80.7	Confident	114 Å²	114	70.2 Å²	70.2	50%	0.496	38%	0.379	S	S	.	.	S	Bend	trans	-80.8	-19.7	-176.5	65.3	-168.8	167	-147.3	0	112.6	E196 E311 D312	E196-K202 PolarHBondContact OE1-N 3.15Å; K202-E311 WeakPolarHBondContact CE-OE1 3.46Å; K202-E311 IonicContact NZ-OE1 2.92Å; K202-E311 PolarHBondContact NZ-OE1 3.17Å; K202-D312 WeakPolarHBondContact CE-OD1 3.17Å; K202-D312 WeakPolarHBondContact CE-OD2 2.87Å; K202-D312 IonicContact NZ-OD1 2.79Å; K202-D312 PolarHBondContact NZ-OD1 3.42Å; K202-D312 IonicContact NZ-OD2 3.38Å; K202-D312 PolarHBondContact NZ-OD2 2.95Å
203	Y	79.9	Confident	80.8	Confident	40 Å²	40	71.7 Å²	71.7	16%	0.157	39%	0.39	C	S	.	.	S	Bend	trans	-101.3	161.9	179.4	-53.6	-58.6	0	0	0	113.3	K194 E196 N310 E311	K194-Y203 HydrophobicContact CB-CD1 3.73Å; K194-Y203 HydrophobicContact CB-CD2 4.28Å; K194-Y203 HydrophobicContact CB-CE1 3.86Å; K194-Y203 HydrophobicContact CB-CE2 4.32Å; K194-Y203 HydrophobicContact CB-CG 3.95Å; K194-Y203 HydrophobicContact CD-CD1 4.41Å; K194-Y203 HydrophobicContact CD-CE1 3.67Å; K194-Y203 HydrophobicContact CD-CE2 4.42Å; K194-Y203 HydrophobicContact CG-CE1 4.35Å; K194-Y203 PolarHBondContact NZ-OH 3.21Å; K194-Y203 VanDerWaalsContact NZ-OH 3.12Å; E196-Y203 WeakPolarHBondContact CG-O 3.45Å; E196-Y203 WeakPolarHBondContact OE1-CD2 3.4Å; E196-Y203 PolarHBondContact OE1-N 3.26Å; Y203-N310 HydrophobicContact CE2-CB 4.18Å; Y203-E311 VanDerWaalsContact OH-CD 3.32Å; Y203-E311 PolarHBondContact OH-OE1 3.44Å; Y203-E311 PolarHBondContact OH-OE2 3.41Å
204	P	77.6	Confident	81	Confident	76 Å²	76	71.7 Å²	71.7	49%	0.494	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-65.3	154	172.6	-19.7	32.8	0	0	0	111.6	C195 E196 C206	C195-P204 CarbonylContact C-O 3.52Å; C195-P204 WeakPolarHBondContact CA-O 3.34Å; C195-P204 VanDerWaalsContact CB-O 3.31Å; C195-P204 WeakPolarHBondContact CB-O 3.46Å; E196-P204 PolarHBondContact N-O 2.93Å; P204-C206 PolarHBondContact O-N 3.5Å
205	P	79.2	Confident	81.3	Confident	106 Å²	106	81.3 Å²	81.3	69%	0.688	43%	0.425	S	S	*	.	B	Isolated β-bridge	trans	-54.7	136	168.9	-24.2	33.9	0	0	0	111.3	E196 G207	E196-P205 CarbonylContact O-C 3.55Å; E196-P205 VanDerWaalsContact O-CA 3.25Å; E196-P205 WeakPolarHBondContact O-CA 3.47Å; P205-G207 PolarHBondContact O-N 3.13Å
206	C	73.8	Confident	82.1	Confident	12 Å²	12	83.6 Å²	83.6	8%	0.081	44%	0.44	C	S	.	.			trans	-61.8	-18.9	179.7	-62.5	0	0	0	0	114.3	R113 C195 E196 H197 P204	R113-C206 WeakPolarHBondContact CD-O 3.27Å; R113-C206 HydrophobicContact CG-CB 4.13Å; C195-C206 HydrophobicContact CB-CB 3.71Å; C195-C206 WeakPolarHBondContact CB-SG 3.31Å; C195-C206 PolarHBondContact O-SG 3.4Å; C195-C206 WeakPolarHBondContact SG-CA 3.03Å; C195-C206 WeakPolarHBondContact SG-CB 3.39Å; C195-C206 CovalentContact SG-SG 2.01Å; C195-C206 PolarHBondContact SG-SG 3Å; E196-C206 VanDerWaalsContact C-SG 3.59Å; E196-C206 PolarHBondContact O-N 2.96Å; E196-C206 PolarHBondContact O-SG 2.87Å; E196-C206 VanDerWaalsContact O-SG 3.36Å; H197-C206 PolarHBondContact CD2-SG 2.89Å; H197-C206 PolarHBondContact CE1-SG 2.93Å; H197-C206 PolarHBondContact ND1-SG 2.96Å; H197-C206 PolarHBondContact NE2-SG 3.4Å; P204-C206 PolarHBondContact O-N 3.5Å
207	G	77.1	Confident	83.1	Confident	49 Å²	49	90.2 Å²	90.2	51%	0.505	47%	0.469	S	S	.	.			trans	62.5	-166.9	-175	0	0	0	0	0	112.3	R113 P205	R113-G207 WeakPolarHBondContact CD-O 3.31Å; R113-G207 PolarHBondContact NE-O 2.77Å; P205-G207 PolarHBondContact O-N 3.13Å
208	S	83.1	Confident	84.8	Confident	111 Å²	111	95.9 Å²	95.9	78%	0.776	50%	0.496	S	S	*	.	S	Bend	trans	-99.7	1.8	180	55.2	0	0	0	0	113.4	I210	S208-I210 PolarHBondContact O-N 2.95Å
209	K	87	Confident	86.6	Confident	131 Å²	131	95.4 Å²	95.4	57%	0.57	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-68.2	125.2	-174.7	-175.1	169	178	177.4	0	110.4	R113 Y211	R113-K209 WeakPolarHBondContact CB-O 3.41Å; R113-K209 VanDerWaalsContact CD-O 3.25Å; R113-K209 WeakPolarHBondContact CD-O 3.29Å; R113-K209 PolarHBondContact NE-O 2.93Å; K209-Y211 HydrophobicContact CD-CD1 3.99Å; K209-Y211 HydrophobicContact CD-CE1 3.53Å; K209-Y211 HydrophobicContact CG-CD1 4.14Å; K209-Y211 HydrophobicContact CG-CE1 3.98Å
210	I	89.8	Confident	88.2	Confident	113 Å²	113	93.7 Å²	93.7	58%	0.579	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-93.2	116.1	168.8	-57.7	174.9	0	0	0	106.8	I61 S208	I61-I210 HydrophobicContact CD1-CG1 4.2Å; S208-I210 PolarHBondContact O-N 2.95Å
211	Y	94.2	Very high	89.4	Confident	32 Å²	32	86.3 Å²	86.3	13%	0.125	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-78.3	133.3	-177.4	-66.7	-67.1	0	0	0	111	S112 R113 C158 F192 P193 K209	S112-Y211 WeakPolarHBondContact OG-CE2 3.41Å; R113-Y211 HydrophobicContact CB-CD2 3.87Å; R113-Y211 HydrophobicContact CB-CE2 4.07Å; R113-Y211 WeakPolarHBondContact O-CD2 3.38Å; R113-Y211 PolarHBondContact O-N 3Å; C158-Y211 WeakPolarHBondContact CB-O 3.45Å; F192-Y211 HydrophobicContact CB-CD2 3.95Å; F192-Y211 HydrophobicContact CB-CE2 3.86Å; F192-Y211 HydrophobicContact CB-CG 4.37Å; F192-Y211 AromaticContact CD1-CD1 3.33Å; F192-Y211 HydrophobicContact CD1-CD1 3.33Å; F192-Y211 AromaticContact CD1-CD2 3.97Å; F192-Y211 HydrophobicContact CD1-CD2 3.97Å; F192-Y211 AromaticContact CD1-CE1 3.71Å; F192-Y211 HydrophobicContact CD1-CE1 3.71Å; F192-Y211 HydrophobicContact CD1-CE2 4.32Å; F192-Y211 AromaticContact CD1-CG 3.49Å; F192-Y211 HydrophobicContact CD1-CG 3.49Å; F192-Y211 VanDerWaalsContact CD1-CG 3.49Å; F192-Y211 HydrophobicContact CD2-CD2 4.16Å; F192-Y211 HydrophobicContact CD2-CG 4.1Å; F192-Y211 AromaticContact CE1-CD1 3.55Å; F192-Y211 HydrophobicContact CE1-CD1 3.55Å; F192-Y211 HydrophobicContact CE1-CE1 4.32Å; F192-Y211 AromaticContact CE1-CG 3.71Å; F192-Y211 HydrophobicContact CE1-CG 3.71Å; F192-Y211 HydrophobicContact CE2-CG 4.31Å; F192-Y211 HydrophobicContact CG-CD1 4Å; F192-Y211 AromaticContact CG-CD2 3.76Å; F192-Y211 HydrophobicContact CG-CD2 3.76Å; F192-Y211 HydrophobicContact CG-CE1 4.33Å; F192-Y211 HydrophobicContact CG-CE2 4.13Å; F192-Y211 AromaticContact CG-CG 3.72Å; F192-Y211 HydrophobicContact CG-CG 3.72Å; F192-Y211 HydrophobicContact CZ-CD1 4.36Å; F192-Y211 HydrophobicContact CZ-CG 4.11Å; P193-Y211 WeakPolarHBondContact CD-OH 3.19Å; K209-Y211 HydrophobicContact CD-CD1 3.99Å; K209-Y211 HydrophobicContact CD-CE1 3.53Å; K209-Y211 HydrophobicContact CG-CD1 4.14Å; K209-Y211 HydrophobicContact CG-CE1 3.98Å
212	K	96.6	Very high	90.4	Very high	188 Å²	188	94.4 Å²	94.4	82%	0.817	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-85.3	152.1	170	-64	-173.5	177.6	-173.4	0	110	P214	K212-P214 WeakPolarHBondContact O-CD 3.34Å
213	T	97.8	Very high	91.1	Very high	51 Å²	51	98.1 Å²	98.1	31%	0.313	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-51.6	121.1	171.2	-52.7	0	0	0	0	109.9	L148 L156 G157 C158	L148-T213 HydrophobicContact CD1-CG2 3.97Å; L156-T213 PolarHBondContact O-OG1 3.44Å; L156-T213 VanDerWaalsContact O-OG1 3.08Å; G157-T213 WeakPolarHBondContact CA-OG1 3.13Å; C158-T213 PolarHBondContact N-OG1 3.25Å
214	P	97.7	Very high	92	Very high	28 Å²	28	99.4 Å²	99.4	18%	0.182	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-60.8	157.4	173.3	-21.5	35.1	0	0	0	111	V145 S149 P191 F192 K212	V145-P214 HydrophobicContact CG2-CB 4.23Å; V145-P214 HydrophobicContact CG2-CG 3.93Å; S149-P214 VanDerWaalsContact CB-O 3.3Å; S149-P214 WeakPolarHBondContact CB-O 3.24Å; P191-P214 HydrophobicContact CG-CG 3.88Å; F192-P214 HydrophobicContact CE1-CG 4.32Å; F192-P214 HydrophobicContact CE2-CG 4.33Å; F192-P214 HydrophobicContact CZ-CG 3.62Å; K212-P214 WeakPolarHBondContact O-CD 3.34Å
215	R	97.8	Very high	92.9	Very high	224 Å²	224	105.5 Å²	105.5	85%	0.845	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-67.9	140.2	168.5	-65	-178.4	178.4	172.3	-1.7	109.8	K217	R215-K217 PolarHBondContact O-N 3.04Å; R215-K217 VanDerWaalsContact O-N 3.14Å
216	C	98.4	Very high	93.8	Very high	49 Å²	49	103 Å²	103	33%	0.331	50%	0.503	S	S	.	.			trans	-59.3	112.7	165.4	-178.7	0	0	0	0	109.1	S149 C150 Q218	S149-C216 WeakPolarHBondContact O-CB 3.45Å; C150-C216 VanDerWaalsContact CA-SG 3.58Å; C150-C216 HydrophobicContact CB-CB 3.95Å; C150-C216 WeakPolarHBondContact CB-SG 3.15Å; C150-C216 VanDerWaalsContact SG-CA 3.58Å; C150-C216 WeakPolarHBondContact SG-CB 3.41Å; C150-C216 CovalentContact SG-SG 2.04Å; C150-C216 PolarHBondContact SG-SG 3.28Å; C216-Q218 VanDerWaalsContact SG-CG 3.53Å
217	K	97.4	Very high	95	Very high	146 Å²	146	105.3 Å²	105.3	64%	0.635	52%	0.519	S	S	*	.			trans	-88.8	-32.5	-173.5	-70.6	-178.8	-177	172.3	0	113.3	R215 T219	R215-K217 PolarHBondContact O-N 3.04Å; R215-K217 VanDerWaalsContact O-N 3.14Å; K217-T219 PolarHBondContact O-N 3.07Å; K217-T219 VanDerWaalsContact O-N 3.12Å; K217-T219 PolarHBondContact O-OG1 2.95Å
218	Q	97.9	Very high	96	Very high	125 Å²	125	104.1 Å²	104.1	58%	0.584	50%	0.499	S	S	*	.			trans	49.8	35	-172.7	-57	-175.3	-36.1	0	0	112.8	C216 Y228	C216-Q218 VanDerWaalsContact SG-CG 3.53Å; Q218-Y228 VanDerWaalsContact C-CG 3.43Å; Q218-Y228 HydrophobicContact CB-CD1 4.04Å; Q218-Y228 HydrophobicContact CB-CE1 3.79Å; Q218-Y228 HydrophobicContact CG-CE1 3.98Å
219	T	98.3	Very high	96.7	Very high	94 Å²	94	104.2 Å²	104.2	58%	0.577	50%	0.495	S	S	*	.			trans	-152.3	122.4	-174.6	-59.3	0	0	0	0	109.9	E188 K217	E188-T219 PolarHBondContact OE1-N 2.92Å; K217-T219 PolarHBondContact O-N 3.07Å; K217-T219 VanDerWaalsContact O-N 3.12Å; K217-T219 PolarHBondContact O-OG1 2.95Å
220	C	98.5	Very high	97.3	Very high	19 Å²	19	104.8 Å²	104.8	13%	0.128	50%	0.5	C	S	.	.			trans	-66.4	156.8	176.7	-54.2	0	0	0	0	112.8	C187 Y224 T226 Y228	C187-C220 HydrophobicContact CB-CB 3.82Å; C187-C220 WeakPolarHBondContact CB-SG 3.47Å; C187-C220 CarbonylContact O-C 3.58Å; C187-C220 VanDerWaalsContact O-CA 3.28Å; C187-C220 WeakPolarHBondContact O-CA 3.39Å; C187-C220 WeakPolarHBondContact SG-CA 3.16Å; C187-C220 WeakPolarHBondContact SG-CB 3.21Å; C187-C220 CovalentContact SG-SG 2.03Å; C187-C220 PolarHBondContact SG-SG 3.17Å; C220-Y224 HydrophobicContact CB-CD1 3.98Å; C220-T226 PolarHBondContact SG-O 3.18Å; C220-T226 VanDerWaalsContact SG-O 3.37Å; C220-Y228 WeakPolarHBondContact SG-CA 3.23Å
221	Q	98.2	Very high	97.7	Very high	57 Å²	57	99.9 Å²	99.9	27%	0.266	47%	0.474	S	S	.	.			trans	-57.1	143.4	170.5	61.6	172.1	-27.8	0	0	111.4	H184 G186 C187 K223 Y224	H184-Q221 PolarHBondContact O-NE2 3.24Å; G186-Q221 PolarHBondContact O-NE2 2.96Å; C187-Q221 PolarHBondContact O-N 2.94Å; Q221-K223 PolarHBondContact O-N 3.17Å; Q221-Y224 WeakPolarHBondContact O-CB 3.43Å; Q221-Y224 PolarHBondContact O-N 3.07Å
222	K	96.8	Very high	97.9	Very high	217 Å²	217	100.3 Å²	100.3	94%	0.943	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-29.4	-170	-65	-175.8	178.1	-176.4	0	115.5	Y224	K222-Y224 VanDerWaalsContact C-N 3.35Å
223	K	96.3	Very high	98	Very high	193 Å²	193	93.3 Å²	93.3	84%	0.839	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.3	-179	-65.9	-174.4	178.3	179.8	0	113.3	Q221	Q221-K223 PolarHBondContact O-N 3.17Å
224	Y	98	Very high	98.1	Very high	67 Å²	67	98 Å²	98	26%	0.263	46%	0.459	S	S	.	.			trans	-86.8	126.4	-178.9	-163.1	-107.7	0	0	0	110.1	T177 G186 C187 C220 Q221 K222 T226 D231	T177-Y224 PolarHBondContact OG1-OH 2.85Å; G186-Y224 VanDerWaalsContact C-CD2 3.48Å; G186-Y224 WeakPolarHBondContact O-CD2 3.43Å; C187-Y224 HydrophobicContact CB-CD1 3.82Å; C187-Y224 HydrophobicContact CB-CE1 3.79Å; C220-Y224 HydrophobicContact CB-CD1 3.98Å; Q221-Y224 WeakPolarHBondContact O-CB 3.43Å; Q221-Y224 PolarHBondContact O-N 3.07Å; K222-Y224 VanDerWaalsContact C-N 3.35Å; Y224-T226 WeakPolarHBondContact CD1-O 3.37Å; Y224-D231 HydrophobicContact CE1-CB 4.27Å; Y224-D231 PolarHBondContact OH-OD1 2.78Å
225	K	97.6	Very high	98.1	Very high	204 Å²	204	97 Å²	97	89%	0.887	45%	0.454	S	S	*	.			trans	-84.1	-31.4	-168.1	-65.6	-179.4	180	178.6	0	113.7	P227	K225-P227 WeakPolarHBondContact O-CD 3.47Å
226	T	98.3	Very high	98.1	Very high	52 Å²	52	92.8 Å²	92.8	32%	0.319	44%	0.442	S	S	.	.	S	Bend	trans	-74.8	125.7	-178.7	-48.6	0	0	0	0	109.3	C220 Y224 Q230 D231	C220-T226 PolarHBondContact SG-O 3.18Å; C220-T226 VanDerWaalsContact SG-O 3.37Å; Y224-T226 WeakPolarHBondContact CD1-O 3.37Å; T226-Q230 HydrophobicContact CG2-CB 3.8Å; T226-D231 HydrophobicContact CG2-CB 4.02Å
227	P	98.3	Very high	98.2	Very high	62 Å²	62	92.4 Å²	92.4	40%	0.403	44%	0.44	S	S	.	.			trans	-58.2	148.3	174.8	-24.8	34.4	0	0	0	112.6	K225 T229 Q230 D231	K225-P227 WeakPolarHBondContact O-CD 3.47Å; P227-T229 VanDerWaalsContact C-N 3.3Å; P227-T229 PolarHBondContact O-N 3.12Å; P227-Q230 HydrophobicContact CB-CB 4.45Å; P227-Q230 HydrophobicContact CB-CG 4.34Å; P227-Q230 HydrophobicContact CG-CG 4.42Å; P227-Q230 WeakPolarHBondContact O-CA 3.41Å; P227-Q230 PolarHBondContact O-N 2.97Å; P227-D231 PolarHBondContact O-N 2.81Å
228	Y	98.7	Very high	98.2	Very high	24 Å²	24	86.2 Å²	86.2	9%	0.094	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-49.4	-47.2	-177.3	174	-92.7	0	0	0	113.3	D146 V176 Q218 C220 Q230 D231 K232	D146-Y228 WeakPolarHBondContact OD1-CE2 3.23Å; D146-Y228 PolarHBondContact OD1-OH 2.8Å; V176-Y228 HydrophobicContact CG1-CD2 3.65Å; V176-Y228 HydrophobicContact CG1-CE2 3.61Å; V176-Y228 HydrophobicContact CG1-CG 4.24Å; V176-Y228 WeakPolarHBondContact CG1-O 3.37Å; V176-Y228 HydrophobicContact CG2-CD2 4.36Å; V176-Y228 HydrophobicContact CG2-CE2 4.1Å; Q218-Y228 VanDerWaalsContact C-CG 3.43Å; Q218-Y228 HydrophobicContact CB-CD1 4.04Å; Q218-Y228 HydrophobicContact CB-CE1 3.79Å; Q218-Y228 HydrophobicContact CG-CE1 3.98Å; C220-Y228 WeakPolarHBondContact SG-CA 3.23Å; Y228-Q230 VanDerWaalsContact C-N 3.29Å; Y228-Q230 PolarHBondContact O-N 2.86Å; Y228-D231 PolarHBondContact O-N 2.82Å; Y228-K232 VanDerWaalsContact CE1-CE 3.5Å; Y228-K232 WeakPolarHBondContact OH-CE 3.47Å; Y228-K232 PolarHBondContact OH-NZ 3.32Å
229	T	98.2	Very high	98.3	Very high	112 Å²	112	80.6 Å²	80.6	69%	0.687	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-69.2	-25.4	-179.3	51.7	0	0	0	0	113.5	P227	P227-T229 VanDerWaalsContact C-N 3.3Å; P227-T229 PolarHBondContact O-N 3.12Å
230	Q	98.4	Very high	98.3	Very high	144 Å²	144	76.3 Å²	76.3	67%	0.673	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-85.2	-19.4	176.9	-66.4	-177.3	8.2	0	0	112.7	T226 P227 Y228 K232	T226-Q230 HydrophobicContact CG2-CB 3.8Å; P227-Q230 HydrophobicContact CB-CB 4.45Å; P227-Q230 HydrophobicContact CB-CG 4.34Å; P227-Q230 HydrophobicContact CG-CG 4.42Å; P227-Q230 WeakPolarHBondContact O-CA 3.41Å; P227-Q230 PolarHBondContact O-N 2.97Å; Y228-Q230 VanDerWaalsContact C-N 3.29Å; Y228-Q230 PolarHBondContact O-N 2.86Å; Q230-K232 VanDerWaalsContact C-N 3.33Å
231	D	98.7	Very high	98.3	Very high	9 Å²	9	75.5 Å²	75.5	5%	0.048	36%	0.356	C	S	.	.	S	Bend	trans	-88.2	0.4	177.6	-161.6	52.1	0	0	0	113.3	V176 T177 C187 Y224 T226 P227 Y228 H233	V176-D231 WeakPolarHBondContact CA-O 3.34Å; V176-D231 HydrophobicContact CB-CB 4.26Å; V176-D231 HydrophobicContact CG1-CB 4.22Å; T177-D231 WeakPolarHBondContact CB-OD2 3.37Å; T177-D231 PolarHBondContact N-OD2 2.74Å; T177-D231 PolarHBondContact OG1-OD2 3.48Å; C187-D231 HydrophobicContact CB-CB 4.33Å; C187-D231 WeakPolarHBondContact CB-OD2 3.26Å; Y224-D231 HydrophobicContact CE1-CB 4.27Å; Y224-D231 PolarHBondContact OH-OD1 2.78Å; T226-D231 HydrophobicContact CG2-CB 4.02Å; P227-D231 PolarHBondContact O-N 2.81Å; Y228-D231 PolarHBondContact O-N 2.82Å; D231-H233 PolarHBondContact O-CE1 3.41Å; D231-H233 PolarHBondContact O-N 2.66Å; D231-H233 PolarHBondContact O-ND1 3.45Å; D231-H233 IonicContact OD1-CE1 3.43Å
232	K	98.7	Very high	98.3	Very high	42 Å²	42	77.1 Å²	77.1	18%	0.183	36%	0.363	C	S	.	.			trans	-68.9	116.9	179.4	-76.7	-70.6	-172.5	178.8	0	111.5	D146 G174 V176 Y228 Q230	D146-K232 IonicContact OD1-NZ 3.88Å; D146-K232 PolarHBondContact OD1-NZ 3.18Å; D146-K232 IonicContact OD2-NZ 2.76Å; D146-K232 PolarHBondContact OD2-NZ 2.91Å; G174-K232 VanDerWaalsContact C-CD 3.46Å; G174-K232 WeakPolarHBondContact O-CD 3.42Å; G174-K232 PolarHBondContact O-NZ 2.95Å; V176-K232 HydrophobicContact CG1-CD 3.69Å; V176-K232 HydrophobicContact CG1-CG 4.01Å; Y228-K232 VanDerWaalsContact CE1-CE 3.5Å; Y228-K232 WeakPolarHBondContact OH-CE 3.47Å; Y228-K232 PolarHBondContact OH-NZ 3.32Å; Q230-K232 VanDerWaalsContact C-N 3.33Å
233	H	98.8	Very high	98.4	Very high	41 Å²	41	70.3 Å²	70.3	19%	0.19	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-98.3	121.5	172.4	-66.3	69.1	0	0	0	109.3	L142 W170 G174 I175 D231	L142-H233 HydrophobicContact CD2-CB 3.72Å; W170-H233 PolarHBondContact NE1-O 2.79Å; W170-H233 VanDerWaalsContact NE1-O 3.17Å; G174-H233 CarbonylContact C-O 3.5Å; G174-H233 VanDerWaalsContact CA-O 3.22Å; G174-H233 WeakPolarHBondContact CA-O 3.22Å; I175-H233 PolarHBondContact N-O 2.81Å; I175-H233 PolarHBondContact O-N 3.03Å; D231-H233 PolarHBondContact O-CE1 3.41Å; D231-H233 PolarHBondContact O-N 2.66Å; D231-H233 PolarHBondContact O-ND1 3.45Å; D231-H233 IonicContact OD1-CE1 3.43Å
234	R	98.7	Very high	98.5	Very high	148 Å²	148	63.9 Å²	63.9	56%	0.558	31%	0.311	S	S	*	.			trans	-110.2	139.9	-174.3	-65.4	178.4	71.8	160.1	0.8	111.5	W170 V171 K172	W170-R234 WeakPolarHBondContact O-CA 3.03Å; V171-R234 PolarHBondContact O-NE 2.87Å; V171-R234 VanDerWaalsContact O-NE 3.08Å; V171-R234 PolarHBondContact O-NH2 2.9Å; K172-R234 VanDerWaalsContact C-NH2 3.27Å; K172-R234 PolarHBondContact O-NH2 3.33Å
235	G	98.6	Very high	98.5	Very high	8 Å²	8	63.4 Å²	63.4	8%	0.082	31%	0.312	C	S	.	.			trans	-73.4	159.8	162.8	0	0	0	0	0	110.7	W170 V171	W170-G235 VanDerWaalsContact CE2-CA 3.48Å; W170-G235 VanDerWaalsContact CZ2-CA 3.49Å; W170-G235 PolarHBondContact O-N 3.32Å; W170-G235 VanDerWaalsContact O-N 3.09Å; V171-G235 WeakPolarHBondContact CA-O 3.47Å
236	K	98.6	Very high	98.6	Very high	135 Å²	135	60 Å²	60	59%	0.587	30%	0.297	S	S	*	.	S	Bend	trans	-94.5	-34.2	170.8	-172.3	-179.1	177.4	-177.4	0	111.9	Q338 N340	K236-Q338 WeakPolarHBondContact CA-O 3.39Å; K236-Q338 WeakPolarHBondContact CB-O 3.36Å; K236-Q338 PolarHBondContact N-O 2.91Å; K236-N340 VanDerWaalsContact CD-C 3.42Å; K236-N340 WeakPolarHBondContact CD-OXT 3.08Å; K236-N340 WeakPolarHBondContact CE-OXT 3.38Å; K236-N340 PolarHBondContact NZ-OXT 2.8Å
237	S	98.6	Very high	98.6	Very high	41 Å²	41	57.6 Å²	57.6	29%	0.287	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.2	178.3	61.2	0	0	0	0	112.1	V171 G337 Q338	V171-S237 VanDerWaalsContact CG2-C 3.47Å; S237-G337 CarbonylContact O-C 3.56Å; S237-G337 WeakPolarHBondContact O-CA 3.47Å; S237-Q338 PolarHBondContact N-O 3.16Å; S237-Q338 VanDerWaalsContact N-O 3.15Å; S237-Q338 PolarHBondContact O-N 2.77Å; S237-Q338 VanDerWaalsContact O-N 3.08Å
238	S	98.7	Very high	98.7	Very high	17 Å²	17	54.7 Å²	54.7	12%	0.119	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142	169.5	54.9	0	0	0	0	108.2	D168	D168-S238 PolarHBondContact OD1-OG 2.84Å
239	Y	98.9	Very high	98.7	Very high	7 Å²	7	54.1 Å²	54.1	3%	0.027	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	148.2	-178.1	49.5	-99.7	0	0	0	112.1	P78 V80 R129 E251 I335 A336 Q338	P78-Y239 WeakPolarHBondContact O-CA 3.27Å; P78-Y239 WeakPolarHBondContact O-CB 3.35Å; V80-Y239 HydrophobicContact CB-CD2 4.32Å; V80-Y239 HydrophobicContact CG1-CD2 3.79Å; V80-Y239 HydrophobicContact CG1-CE2 4.28Å; V80-Y239 HydrophobicContact CG1-CG 3.95Å; V80-Y239 HydrophobicContact CG2-CD2 3.54Å; V80-Y239 HydrophobicContact CG2-CE2 3.7Å; R129-Y239 PolarHBondContact NH1-OH 3.46Å; Y239-E251 PolarHBondContact OH-OE1 2.95Å; Y239-I335 WeakPolarHBondContact O-CG1 3.49Å; Y239-A336 HydrophobicContact CD2-CB 4.47Å; Y239-A336 HydrophobicContact CE2-CB 3.83Å; Y239-A336 PolarHBondContact N-O 3.18Å; Y239-A336 PolarHBondContact O-N 3.03Å; Y239-Q338 HydrophobicContact CE1-CG 4.08Å; Y239-Q338 WeakPolarHBondContact OH-CG 3.38Å; Y239-Q338 PolarHBondContact OH-NE2 3.36Å
240	N	98.8	Very high	98.7	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	150.4	169.3	-54.1	-50.4	0	0	0	109.2	R73 R77 P78 T79 V80	R73-N240 WeakPolarHBondContact CG-OD1 3.33Å; R73-N240 PolarHBondContact NH1-OD1 3.22Å; R73-N240 VanDerWaalsContact NH1-OD1 3.16Å; R73-N240 PolarHBondContact NH2-OD1 2.82Å; R73-N240 PolarHBondContact O-ND2 3.38Å; R77-N240 VanDerWaalsContact CD-OD1 3.24Å; R77-N240 WeakPolarHBondContact CD-OD1 3.42Å; R77-N240 WeakPolarHBondContact CG-ND2 3.13Å; P78-N240 PolarHBondContact O-N 3.16Å; T79-N240 CarbonylContact C-O 3.53Å; T79-N240 WeakPolarHBondContact CA-O 3.39Å; T79-N240 HydrophobicContact CG2-CB 4.09Å; T79-N240 PolarHBondContact OG1-ND2 3.4Å; V80-N240 PolarHBondContact N-O 2.91Å
241	V	98.8	Very high	98.7	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137	162.8	-172.5	0	0	0	0	107.6	V80 A247 I248 E251 V334	V80-V241 HydrophobicContact CG2-CG2 4.18Å; V241-A247 HydrophobicContact CG1-CB 4.14Å; V241-I248 HydrophobicContact CG1-CG1 3.85Å; V241-E251 HydrophobicContact CG1-CB 4.35Å; V241-E251 HydrophobicContact CG2-CB 4.26Å; V241-E251 HydrophobicContact CG2-CG 3.85Å; V241-V334 HydrophobicContact CB-CB 4.01Å; V241-V334 HydrophobicContact CB-CG1 3.8Å; V241-V334 HydrophobicContact CG2-CB 4.49Å; V241-V334 HydrophobicContact CG2-CG1 3.8Å; V241-V334 PolarHBondContact N-O 2.95Å
242	K	98.6	Very high	98.7	Very high	92 Å²	92	42.3 Å²	42.3	40%	0.4	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-55.8	141.7	177	-174	177.5	178.3	-177.2	0	110	T79 V80 D81 D244 A247	T79-K242 HydrophobicContact CG2-CB 4.08Å; V80-K242 PolarHBondContact O-N 2.99Å; D81-K242 HydrophobicContact CB-CB 4.12Å; D81-K242 HydrophobicContact CB-CD 3.76Å; K242-D244 HydrophobicContact CB-CB 4.47Å; K242-D244 HydrophobicContact CD-CB 4.24Å; K242-D244 HydrophobicContact CG-CB 4.12Å; K242-D244 PolarHBondContact O-N 3.01Å; K242-A247 HydrophobicContact CB-CB 4.27Å
243	N	98.5	Very high	98.7	Very high	74 Å²	74	40.9 Å²	40.9	40%	0.396	19%	0.192	S	C	.	.	S	Bend	trans	-68.1	77.7	168.6	-174.5	-2.7	0	0	0	109.1	D326 E331 S332	N243-D326 PolarHBondContact ND2-OD2 3.29Å; N243-E331 WeakPolarHBondContact CA-O 3.37Å; N243-E331 VanDerWaalsContact OD1-CB 3.24Å; N243-E331 WeakPolarHBondContact OD1-CB 3.43Å; N243-S332 PolarHBondContact ND2-OG 3.41Å
244	D	98.6	Very high	98.7	Very high	57 Å²	57	43 Å²	43	31%	0.305	20%	0.201	S	C	.	.			trans	-152.9	123.5	-179.7	173.8	79.9	0	0	0	107.6	K242 K246 A247 I248	K242-D244 HydrophobicContact CB-CB 4.47Å; K242-D244 HydrophobicContact CD-CB 4.24Å; K242-D244 HydrophobicContact CG-CB 4.12Å; K242-D244 PolarHBondContact O-N 3.01Å; D244-K246 VanDerWaalsContact C-N 3.25Å; D244-K246 PolarHBondContact O-N 2.76Å; D244-K246 WeakPolarHBondContact OD2-CB 3.48Å; D244-K246 PolarHBondContact OD2-N 2.96Å; D244-K246 VanDerWaalsContact OD2-N 3.16Å; D244-A247 HydrophobicContact CB-CB 3.9Å; D244-A247 WeakPolarHBondContact O-CB 3.18Å; D244-A247 PolarHBondContact O-N 3.26Å; D244-A247 VanDerWaalsContact O-N 3.15Å; D244-A247 PolarHBondContact OD2-N 3.14Å; D244-I248 WeakPolarHBondContact O-CG1 3.5Å; D244-I248 PolarHBondContact O-N 3.05Å; D244-I248 VanDerWaalsContact O-N 3.07Å
245	E	98.7	Very high	98.7	Very high	58 Å²	58	38 Å²	38	27%	0.271	18%	0.182	S	C	.	.	H	α-helix	trans	-53	-44.1	-176.5	-173.9	-168.4	152.3	0	0	112.1	I248 Q249 W303 R323 G324	E245-I248 PolarHBondContact O-N 3.19Å; E245-Q249 VanDerWaalsContact O-CG 3.31Å; E245-Q249 WeakPolarHBondContact O-CG 3.39Å; E245-Q249 PolarHBondContact O-N 3.13Å; E245-W303 HydrophobicContact CG-CH2 4.44Å; E245-W303 HydrophobicContact CG-CZ2 4.12Å; E245-R323 HydrophobicContact CG-CG 3.75Å; E245-R323 IonicContact OE1-CZ 3.65Å; E245-R323 IonicContact OE1-NH1 3.23Å; E245-R323 PolarHBondContact OE1-NH1 3.01Å; E245-G324 WeakPolarHBondContact OE2-CA 3.44Å
246	K	98.6	Very high	98.7	Very high	133 Å²	133	37.7 Å²	37.7	58%	0.578	18%	0.178	S	C	*	.	H	α-helix	trans	-70.6	-39.4	-177.8	-65.7	177.6	179.6	170.1	0	111.4	I89 D244 I248 Q249 K250	I89-K246 HydrophobicContact CD1-CB 3.93Å; I89-K246 HydrophobicContact CD1-CG 4.07Å; D244-K246 VanDerWaalsContact C-N 3.25Å; D244-K246 PolarHBondContact O-N 2.76Å; D244-K246 WeakPolarHBondContact OD2-CB 3.48Å; D244-K246 PolarHBondContact OD2-N 2.96Å; D244-K246 VanDerWaalsContact OD2-N 3.16Å; K246-I248 VanDerWaalsContact C-N 3.32Å; K246-I248 PolarHBondContact O-N 3.09Å; K246-Q249 PolarHBondContact O-N 2.86Å; K246-K250 WeakPolarHBondContact O-CB 3.42Å; K246-K250 VanDerWaalsContact O-CG 3.27Å; K246-K250 WeakPolarHBondContact O-CG 3.36Å; K246-K250 PolarHBondContact O-N 2.72Å
247	A	98.8	Very high	98.7	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-58.9	-45.3	175.2	0	0	0	0	0	111.1	D81 V241 K242 D244 K250 E251	D81-A247 VanDerWaalsContact O-CB 3.32Å; D81-A247 WeakPolarHBondContact O-CB 3.46Å; V241-A247 HydrophobicContact CG1-CB 4.14Å; K242-A247 HydrophobicContact CB-CB 4.27Å; D244-A247 HydrophobicContact CB-CB 3.9Å; D244-A247 WeakPolarHBondContact O-CB 3.18Å; D244-A247 PolarHBondContact O-N 3.26Å; D244-A247 VanDerWaalsContact O-N 3.15Å; D244-A247 PolarHBondContact OD2-N 3.14Å; A247-K250 PolarHBondContact O-N 2.83Å; A247-E251 WeakPolarHBondContact O-CB 3.35Å; A247-E251 PolarHBondContact O-N 3.41Å
248	I	98.9	Very high	98.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-45.1	178	-61.6	161.6	0	0	0	110.8	V241 D244 E245 K246 K250 E251 I252 W303 E331 V334	V241-I248 HydrophobicContact CG1-CG1 3.85Å; D244-I248 WeakPolarHBondContact O-CG1 3.5Å; D244-I248 PolarHBondContact O-N 3.05Å; D244-I248 VanDerWaalsContact O-N 3.07Å; E245-I248 PolarHBondContact O-N 3.19Å; K246-I248 VanDerWaalsContact C-N 3.32Å; K246-I248 PolarHBondContact O-N 3.09Å; I248-K250 PolarHBondContact O-N 3.32Å; I248-E251 PolarHBondContact O-N 3.13Å; I248-I252 HydrophobicContact CG2-CD1 3.79Å; I248-I252 WeakPolarHBondContact O-CG1 3.17Å; I248-I252 PolarHBondContact O-N 2.75Å; I248-W303 HydrophobicContact CB-CH2 3.76Å; I248-W303 HydrophobicContact CB-CZ2 4.14Å; I248-W303 HydrophobicContact CD1-CZ2 4.37Å; I248-W303 HydrophobicContact CG2-CH2 3.44Å; I248-W303 VanDerWaalsContact CG2-CH2 3.44Å; I248-W303 HydrophobicContact CG2-CZ2 3.9Å; I248-W303 HydrophobicContact CG2-CZ3 3.9Å; I248-E331 HydrophobicContact CD1-CB 3.72Å; I248-E331 HydrophobicContact CD1-CG 3.7Å; I248-V334 HydrophobicContact CD1-CG2 3.69Å; I248-V334 HydrophobicContact CG1-CB 4.33Å; I248-V334 HydrophobicContact CG1-CG1 4.37Å; I248-V334 HydrophobicContact CG1-CG2 3.97Å; I248-V334 HydrophobicContact CG2-CG1 4.45Å; I248-V334 HydrophobicContact CG2-CG2 4.49Å
249	Q	98.9	Very high	98.8	Very high	12 Å²	12	28.5 Å²	28.5	6%	0.056	13%	0.131	C	C	.	.	H	α-helix	trans	-59.4	-48.1	175.6	-73.7	175.2	-47.6	0	0	111.9	I89 E245 K246 E251 I252 M253 W294 W303	I89-Q249 HydrophobicContact CD1-CB 4.13Å; I89-Q249 HydrophobicContact CG2-CB 3.8Å; I89-Q249 HydrophobicContact CG2-CG 4.2Å; E245-Q249 VanDerWaalsContact O-CG 3.31Å; E245-Q249 WeakPolarHBondContact O-CG 3.39Å; E245-Q249 PolarHBondContact O-N 3.13Å; K246-Q249 PolarHBondContact O-N 2.86Å; Q249-E251 PolarHBondContact O-N 3.34Å; Q249-I252 PolarHBondContact O-N 3.07Å; Q249-M253 WeakPolarHBondContact O-CG 3.37Å; Q249-M253 PolarHBondContact O-N 3.23Å; Q249-W294 HydrophobicContact CB-CE3 4.35Å; Q249-W294 HydrophobicContact CB-CH2 3.7Å; Q249-W294 HydrophobicContact CB-CZ2 3.93Å; Q249-W294 HydrophobicContact CB-CZ3 3.97Å; Q249-W294 HydrophobicContact CG-CD2 3.83Å; Q249-W294 HydrophobicContact CG-CE3 3.95Å; Q249-W294 HydrophobicContact CG-CG 4.38Å; Q249-W294 HydrophobicContact CG-CH2 4.09Å; Q249-W294 HydrophobicContact CG-CZ2 4.03Å; Q249-W294 HydrophobicContact CG-CZ3 4.09Å; Q249-W294 VanDerWaalsContact O-CH2 3.22Å; Q249-W294 WeakPolarHBondContact O-CH2 3.37Å; Q249-W294 WeakPolarHBondContact O-CZ3 3.4Å; Q249-W303 HydrophobicContact CG-CH2 3.66Å; Q249-W303 HydrophobicContact CG-CZ3 3.87Å
250	K	98.8	Very high	98.8	Very high	18 Å²	18	28.1 Å²	28.1	8%	0.078	13%	0.13	C	C	.	.	H	α-helix	trans	-59.3	-46.2	177.5	-75.2	179.2	-173.2	-172.4	0	111.4	H82 W85 V87 I89 K246 A247 I248 I252 M253 K254	H82-K250 HydrophobicContact CB-CB 3.88Å; H82-K250 HydrophobicContact CB-CD 3.63Å; H82-K250 HydrophobicContact CB-CG 4.42Å; H82-K250 WeakPolarHBondContact O-CD 3.47Å; H82-K250 PolarHBondContact O-NZ 2.89Å; W85-K250 HydrophobicContact CE3-CB 3.96Å; W85-K250 HydrophobicContact CE3-CD 4.2Å; W85-K250 HydrophobicContact CE3-CG 4.1Å; W85-K250 HydrophobicContact CZ3-CB 3.8Å; W85-K250 HydrophobicContact CZ3-CG 4.12Å; W85-K250 WeakPolarHBondContact CZ3-O 3.35Å; W85-K250 WeakPolarHBondContact O-CE 3.3Å; W85-K250 PolarHBondContact O-NZ 2.86Å; V87-K250 HydrophobicContact CG1-CD 4.34Å; V87-K250 HydrophobicContact CG1-CG 4.1Å; I89-K250 HydrophobicContact CD1-CG 3.99Å; I89-K250 HydrophobicContact CG1-CG 4.34Å; K246-K250 WeakPolarHBondContact O-CB 3.42Å; K246-K250 VanDerWaalsContact O-CG 3.27Å; K246-K250 WeakPolarHBondContact O-CG 3.36Å; K246-K250 PolarHBondContact O-N 2.72Å; A247-K250 PolarHBondContact O-N 2.83Å; I248-K250 PolarHBondContact O-N 3.32Å; K250-I252 PolarHBondContact O-N 3.33Å; K250-M253 HydrophobicContact CG-CE 4.13Å; K250-K254 VanDerWaalsContact O-CB 3.27Å; K250-K254 WeakPolarHBondContact O-CB 3.17Å; K250-K254 PolarHBondContact O-N 2.82Å
251	E	98.9	Very high	98.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56.3	-52.2	176.5	176.7	62	-154.8	0	0	111.1	H82 R129 Y239 V241 A247 I248 Q249 K254 Y255 V258 A336	H82-E251 IonicContact CD2-OE2 3.09Å; H82-E251 IonicContact CE1-OE2 2.75Å; H82-E251 PolarHBondContact CE1-OE2 3.43Å; H82-E251 IonicContact NE2-OE2 3.7Å; H82-E251 PolarHBondContact NE2-OE2 3.38Å; R129-E251 IonicContact CZ-OE1 2.75Å; R129-E251 IonicContact NH1-OE1 3.9Å; R129-E251 PolarHBondContact NH1-OE1 3.28Å; R129-E251 IonicContact NH2-OE1 3.07Å; R129-E251 PolarHBondContact NH2-OE1 3.34Å; Y239-E251 PolarHBondContact OH-OE1 2.95Å; V241-E251 HydrophobicContact CG1-CB 4.35Å; V241-E251 HydrophobicContact CG2-CB 4.26Å; V241-E251 HydrophobicContact CG2-CG 3.85Å; A247-E251 WeakPolarHBondContact O-CB 3.35Å; A247-E251 PolarHBondContact O-N 3.41Å; I248-E251 PolarHBondContact O-N 3.13Å; Q249-E251 PolarHBondContact O-N 3.34Å; E251-K254 PolarHBondContact O-N 3.29Å; E251-Y255 PolarHBondContact O-N 3.06Å; E251-Y255 WeakPolarHBondContact OE2-CD2 3.45Å; E251-V258 HydrophobicContact CB-CG1 4.49Å; E251-V258 HydrophobicContact CG-CG1 3.53Å; E251-A336 HydrophobicContact CG-CB 4.42Å
252	I	98.9	Very high	98.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-49.6	-176.3	-68.9	166.1	0	0	0	111	F93 W99 I248 Q249 K250 K254 G256 V258 I291 W294 W303	F93-I252 HydrophobicContact CD1-CG2 4.02Å; F93-I252 HydrophobicContact CE1-CG2 3.76Å; W99-I252 WeakPolarHBondContact CH2-O 3.43Å; I248-I252 HydrophobicContact CG2-CD1 3.79Å; I248-I252 WeakPolarHBondContact O-CG1 3.17Å; I248-I252 PolarHBondContact O-N 2.75Å; Q249-I252 PolarHBondContact O-N 3.07Å; K250-I252 PolarHBondContact O-N 3.33Å; I252-K254 VanDerWaalsContact C-N 3.25Å; I252-K254 PolarHBondContact O-N 3.32Å; I252-G256 WeakPolarHBondContact CA-O 3.36Å; I252-G256 VanDerWaalsContact O-CA 3.3Å; I252-G256 WeakPolarHBondContact O-CA 3.49Å; I252-G256 PolarHBondContact O-N 2.75Å; I252-V258 HydrophobicContact CD1-CG2 3.84Å; I252-V258 HydrophobicContact CG1-CB 4.41Å; I252-V258 HydrophobicContact CG1-CG1 3.84Å; I252-V258 HydrophobicContact CG1-CG2 3.77Å; I252-I291 HydrophobicContact CD1-CB 4.06Å; I252-I291 HydrophobicContact CD1-CG2 3.62Å; I252-W294 HydrophobicContact CB-CZ3 3.96Å; I252-W294 HydrophobicContact CG2-CE3 4.49Å; I252-W294 HydrophobicContact CG2-CZ3 3.89Å; I252-W303 HydrophobicContact CD1-CZ3 4.14Å
253	M	98.6	Very high	98.8	Very high	12 Å²	12	25 Å²	25	6%	0.059	12%	0.118	C	C	.	.	H	α-helix	trans	-69.2	-24.9	-177.3	67.5	-176	-170.1	0	0	113.3	W85 V87 I89 F93 K98 W99 Q249 K250 W294	W85-M253 HydrophobicContact CH2-CE 3.6Å; W85-M253 HydrophobicContact CH2-CG 4.25Å; W85-M253 HydrophobicContact CZ2-CE 4.31Å; W85-M253 HydrophobicContact CZ3-CE 3.89Å; V87-M253 HydrophobicContact CB-CE 4.2Å; V87-M253 HydrophobicContact CG1-CE 3.29Å; V87-M253 HydrophobicContact CG2-CE 3.82Å; I89-M253 HydrophobicContact CG1-CE 4Å; I89-M253 HydrophobicContact CG2-SD 4.47Å; F93-M253 HydrophobicContact CD2-CB 3.86Å; F93-M253 HydrophobicContact CE1-CB 4.33Å; F93-M253 HydrophobicContact CE2-CB 3.5Å; F93-M253 VanDerWaalsContact CE2-CB 3.5Å; F93-M253 HydrophobicContact CG-CB 4.4Å; F93-M253 VanDerWaalsContact CZ-CA 3.48Å; F93-M253 HydrophobicContact CZ-CB 3.79Å; K98-M253 PolarHBondContact NZ-O 3.09Å; W99-M253 WeakPolarHBondContact CH2-O 3.07Å; Q249-M253 WeakPolarHBondContact O-CG 3.37Å; Q249-M253 PolarHBondContact O-N 3.23Å; K250-M253 HydrophobicContact CG-CE 4.13Å; M253-W294 HydrophobicContact CB-CH2 3.81Å; M253-W294 HydrophobicContact CG-CH2 4.22Å; M253-W294 HydrophobicContact SD-CH2 4.2Å; M253-W294 HydrophobicContact SD-CZ2 4.47Å
254	K	98.4	Very high	98.8	Very high	86 Å²	86	21.4 Å²	21.4	37%	0.374	10%	0.099	S	C	.	.	H	α-helix	trans	-85.9	-50.5	178.8	-168.5	167.3	176.8	-176.2	0	112.2	W85 K250 E251 I252	W85-K254 HydrophobicContact CD2-CD 4.31Å; W85-K254 HydrophobicContact CE3-CD 3.9Å; W85-K254 HydrophobicContact CH2-CB 3.65Å; W85-K254 HydrophobicContact CH2-CD 3.75Å; W85-K254 HydrophobicContact CH2-CG 3.99Å; W85-K254 HydrophobicContact CZ2-CD 4.15Å; W85-K254 HydrophobicContact CZ3-CB 3.64Å; W85-K254 HydrophobicContact CZ3-CD 3.61Å; W85-K254 HydrophobicContact CZ3-CG 4.13Å; K250-K254 VanDerWaalsContact O-CB 3.27Å; K250-K254 WeakPolarHBondContact O-CB 3.17Å; K250-K254 PolarHBondContact O-N 2.82Å; E251-K254 PolarHBondContact O-N 3.29Å; I252-K254 VanDerWaalsContact C-N 3.25Å; I252-K254 PolarHBondContact O-N 3.32Å
255	Y	98.8	Very high	98.7	Very high	43 Å²	43	21 Å²	21	17%	0.169	9%	0.093	C	C	.	.	H	α-helix	trans	-112.4	-7.7	-165.2	-58.9	-67.4	0	0	0	114.3	H82 Q133 E251 Q338	H82-Y255 AromaticContact CE1-CE2 3.68Å; Q133-Y255 PolarHBondContact NE2-O 3.25Å; E251-Y255 PolarHBondContact O-N 3.06Å; E251-Y255 WeakPolarHBondContact OE2-CD2 3.45Å; Y255-Q338 HydrophobicContact CD1-CG 4.22Å; Y255-Q338 VanDerWaalsContact CE1-OE1 3.27Å
256	G	98.8	Very high	98.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.085	C	C	.	.			trans	104.6	-178.1	177.6	0	0	0	0	0	114	R129 I252	R129-G256 PolarHBondContact NH2-O 2.86Å; I252-G256 WeakPolarHBondContact CA-O 3.36Å; I252-G256 VanDerWaalsContact O-CA 3.3Å; I252-G256 WeakPolarHBondContact O-CA 3.49Å; I252-G256 PolarHBondContact O-N 2.75Å
257	P	98.9	Very high	98.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.058	C	C	.	.			trans	-48.5	149	-178.6	-32.4	39.8	0	0	0	114.6	I105 D128 R129 R290 I291 I292	I105-P257 HydrophobicContact CG2-CG 4.18Å; D128-P257 HydrophobicContact CB-CB 4.49Å; D128-P257 HydrophobicContact CB-CG 4.14Å; D128-P257 WeakPolarHBondContact OD2-CG 3.4Å; R129-P257 PolarHBondContact NE-O 2.99Å; R129-P257 PolarHBondContact NH2-O 2.65Å; P257-R290 HydrophobicContact CB-CG 3.81Å; P257-I291 VanDerWaalsContact CA-O 3.27Å; P257-I291 WeakPolarHBondContact CA-O 3.25Å; P257-I291 WeakPolarHBondContact CB-O 3.43Å; P257-I292 HydrophobicContact CB-CG2 4.01Å; P257-I292 HydrophobicContact CG-CB 4.25Å; P257-I292 HydrophobicContact CG-CG2 3.93Å
258	V	99	Very high	98.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	155	-179.7	-62	0	0	0	0	110.1	E251 I252 R290 I291 V334 A336	E251-V258 HydrophobicContact CB-CG1 4.49Å; E251-V258 HydrophobicContact CG-CG1 3.53Å; I252-V258 HydrophobicContact CD1-CG2 3.84Å; I252-V258 HydrophobicContact CG1-CB 4.41Å; I252-V258 HydrophobicContact CG1-CG1 3.84Å; I252-V258 HydrophobicContact CG1-CG2 3.77Å; V258-R290 CarbonylContact O-C 3.37Å; V258-R290 WeakPolarHBondContact O-CA 3.23Å; V258-I291 HydrophobicContact CG2-CB 3.88Å; V258-I291 HydrophobicContact CG2-CD1 4.38Å; V258-I291 HydrophobicContact CG2-CG1 4.31Å; V258-I291 PolarHBondContact N-O 3.09Å; V258-I291 VanDerWaalsContact N-O 3.12Å; V258-I291 PolarHBondContact O-N 2.01Å; V258-V334 HydrophobicContact CB-CG1 3.85Å; V258-V334 HydrophobicContact CG1-CG1 4.35Å; V258-V334 HydrophobicContact CG2-CG1 3.57Å; V258-A336 HydrophobicContact CG1-CB 3.97Å
259	E	98.9	Very high	98.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	141.9	166.7	-178.7	178.8	-142.2	0	0	109.3	G121 A122 L163 W167 I289 V334 I335	G121-E259 WeakPolarHBondContact CA-OE1 3.49Å; A122-E259 WeakPolarHBondContact CB-OE2 3.35Å; A122-E259 PolarHBondContact N-OE1 2.77Å; L163-E259 HydrophobicContact CD2-CG 3.84Å; L163-E259 HydrophobicContact CG-CG 4.05Å; W167-E259 HydrophobicContact CZ2-CB 3.92Å; W167-E259 PolarHBondContact NE1-OE2 3.17Å; E259-I289 WeakPolarHBondContact CA-O 3.01Å; E259-V334 WeakPolarHBondContact O-CA 3.42Å; E259-I335 HydrophobicContact CB-CG2 3.94Å; E259-I335 HydrophobicContact CG-CG2 4.32Å; E259-I335 PolarHBondContact N-O 2.92Å; E259-I335 VanDerWaalsContact N-O 3.12Å; E259-I335 PolarHBondContact O-N 3.36Å
260	A	98.9	Very high	98.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	170.4	170.7	0	0	0	0	0	109.6	A288 I289 I291 V334	A260-A288 CarbonylContact O-C 3.58Å; A260-A288 WeakPolarHBondContact O-CA 3.36Å; A260-I289 HydrophobicContact CB-CD1 3.81Å; A260-I289 PolarHBondContact N-O 3.05Å; A260-I289 PolarHBondContact O-N 3.35Å; A260-I291 HydrophobicContact CB-CD1 3.67Å; A260-I291 HydrophobicContact CB-CG1 4.02Å; A260-V334 HydrophobicContact CB-CG2 3.91Å
261	S	98.5	Very high	98.4	Very high	9 Å²	9	11.9 Å²	11.9	6%	0.063	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.2	171.2	58.9	0	0	0	0	111.1	H287 F329 E333	S261-H287 CarbonylContact C-O 3.24Å; S261-H287 WeakPolarHBondContact CA-O 3.25Å; S261-H287 WeakPolarHBondContact CB-O 3.34Å; S261-F329 VanDerWaalsContact O-O 3.11Å; S261-E333 PolarHBondContact OG-OE2 2.91Å
262	F	98.7	Very high	98.3	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.018	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.9	174.7	73.2	-68.7	0	0	0	110.3	V264 F268 G286 H287 I289 F319 I321 C328 I330	F262-V264 HydrophobicContact CE1-CG2 4.33Å; F262-V264 HydrophobicContact CE2-CG2 3.81Å; F262-V264 HydrophobicContact CZ-CG2 3.69Å; F262-F268 HydrophobicContact CE2-CD1 4.35Å; F262-F268 HydrophobicContact CE2-CD2 4.25Å; F262-F268 HydrophobicContact CE2-CE1 4.23Å; F262-F268 HydrophobicContact CE2-CE2 4.12Å; F262-F268 HydrophobicContact CE2-CG 4.35Å; F262-F268 HydrophobicContact CE2-CZ 4.09Å; F262-F268 HydrophobicContact CZ-CD1 4.18Å; F262-F268 AromaticContact CZ-CE1 3.67Å; F262-F268 HydrophobicContact CZ-CE1 3.67Å; F262-F268 HydrophobicContact CZ-CE2 4.08Å; F262-F268 AromaticContact CZ-CZ 3.59Å; F262-F268 HydrophobicContact CZ-CZ 3.59Å; F262-G286 WeakPolarHBondContact O-CA 3.49Å; F262-H287 HydrophobicContact CE1-CB 4.05Å; F262-H287 AromaticContact CE1-CD2 3.85Å; F262-H287 PolarHBondContact N-O 3.48Å; F262-H287 PolarHBondContact O-N 3.43Å; F262-I289 HydrophobicContact CD1-CG1 4.18Å; F262-I289 HydrophobicContact CD1-CG2 4.37Å; F262-I289 HydrophobicContact CE1-CG1 4.39Å; F262-I289 HydrophobicContact CE1-CG2 3.81Å; F262-F319 AromaticContact CE1-CZ 3.87Å; F262-F319 HydrophobicContact CE1-CZ 3.87Å; F262-F319 HydrophobicContact CZ-CE2 4.33Å; F262-F319 HydrophobicContact CZ-CZ 4.01Å; F262-I321 HydrophobicContact CD2-CD1 4.26Å; F262-C328 CarbonylContact C-O 3.55Å; F262-C328 VanDerWaalsContact CA-O 3.31Å; F262-C328 WeakPolarHBondContact CA-O 3.49Å; F262-C328 HydrophobicContact CB-CB 4.18Å; F262-C328 WeakPolarHBondContact CB-O 3.2Å; F262-C328 HydrophobicContact CD2-CB 4.05Å; F262-I330 HydrophobicContact CB-CB 4.17Å; F262-I330 HydrophobicContact CB-CD1 3.77Å; F262-I330 HydrophobicContact CD1-CD1 4.18Å; F262-I330 HydrophobicContact CG-CD1 4.18Å
263	T	98.6	Very high	98.3	Very high	17 Å²	17	17.2 Å²	17.2	10%	0.104	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	121	173.1	-54.7	0	0	0	0	109.2	Y265 A283 C328	T263-Y265 HydrophobicContact CG2-CD2 4.2Å; T263-Y265 HydrophobicContact CG2-CE2 3.68Å; T263-Y265 WeakPolarHBondContact O-CD2 3.25Å; T263-A283 HydrophobicContact CG2-CB 3.9Å; T263-C328 PolarHBondContact N-O 3.3Å; T263-C328 WeakPolarHBondContact O-CB 3.41Å
264	V	98.5	Very high	98.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.1	171.6	177.6	0	0	0	0	108.5	M63 F262 F268 L269 L284 G285 H287	M63-V264 HydrophobicContact SD-CB 3.43Å; M63-V264 WeakPolarHBondContact SD-CB 3.29Å; M63-V264 HydrophobicContact SD-CG1 3.67Å; M63-V264 HydrophobicContact SD-CG2 3.51Å; M63-V264 VanDerWaalsContact SD-CG2 3.51Å; F262-V264 HydrophobicContact CE1-CG2 4.33Å; F262-V264 HydrophobicContact CE2-CG2 3.81Å; F262-V264 HydrophobicContact CZ-CG2 3.69Å; V264-F268 HydrophobicContact CG1-CB 4.11Å; V264-F268 HydrophobicContact CG1-CD1 3.95Å; V264-F268 HydrophobicContact CG1-CG 4.41Å; V264-F268 HydrophobicContact CG2-CD1 4.38Å; V264-L269 HydrophobicContact CG1-CD2 3.99Å; V264-L284 HydrophobicContact CG1-CD1 4.41Å; V264-L284 PolarHBondContact O-N 2.66Å; V264-G285 PolarHBondContact N-O 2.89Å; V264-H287 HydrophobicContact CG2-CB 3.45Å; V264-H287 VanDerWaalsContact CG2-CB 3.45Å
265	Y	98	Very high	98.3	Very high	47 Å²	47	13.3 Å²	13.3	18%	0.184	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	164.5	169.9	-67.5	-95	0	0	0	110.1	T263 D267 F268 H278 E282 A283 C328	T263-Y265 HydrophobicContact CG2-CD2 4.2Å; T263-Y265 HydrophobicContact CG2-CE2 3.68Å; T263-Y265 WeakPolarHBondContact O-CD2 3.25Å; Y265-D267 WeakPolarHBondContact CB-OD1 3.16Å; Y265-D267 PolarHBondContact O-N 3.03Å; Y265-F268 WeakPolarHBondContact O-CB 3.48Å; Y265-F268 PolarHBondContact O-N 3.4Å; Y265-F268 VanDerWaalsContact O-N 3.16Å; Y265-H278 WeakPolarHBondContact CB-ND1 3.34Å; Y265-H278 AromaticContact CD1-CE1 3.37Å; Y265-H278 WeakPolarHBondContact CD1-CE1 3.48Å; Y265-H278 AromaticContact CD1-ND1 3.82Å; Y265-H278 AromaticContact CD1-NE2 3.51Å; Y265-H278 HydrophobicContact CD2-CB 4.16Å; Y265-H278 AromaticContact CD2-CG 3.84Å; Y265-H278 AromaticContact CD2-ND1 3.91Å; Y265-H278 AromaticContact CE1-NE2 3.76Å; Y265-H278 AromaticContact CG-CE1 3.49Å; Y265-H278 VanDerWaalsContact CG-CE1 3.49Å; Y265-H278 AromaticContact CG-CG 3.8Å; Y265-H278 AromaticContact CG-ND1 3.43Å; Y265-H278 AromaticContact CG-NE2 3.93Å; Y265-E282 WeakPolarHBondContact CA-O 3.33Å; Y265-A283 HydrophobicContact CD1-CB 4.06Å; Y265-A283 HydrophobicContact CE1-CB 3.76Å; Y265-C328 HydrophobicContact CE2-CB 4.3Å
266	E	97.5	Very high	98.3	Very high	22 Å²	22	11.3 Å²	11.3	10%	0.103	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-56.8	-35.2	-177.5	-69.5	166.8	153.3	0	0	113.5	P28 L56 F268 L269 G281 E282 L284	P28-E266 HydrophobicContact CB-CB 4.12Å; P28-E266 HydrophobicContact CB-CG 4.11Å; P28-E266 HydrophobicContact CG-CB 4.12Å; P28-E266 HydrophobicContact CG-CG 3.77Å; P28-E266 WeakPolarHBondContact CG-OE1 3.44Å; L56-E266 HydrophobicContact CD2-CG 4.14Å; E266-F268 PolarHBondContact O-N 3.12Å; E266-L269 PolarHBondContact O-N 3.45Å; E266-G281 VanDerWaalsContact OE2-CA 3.26Å; E266-G281 WeakPolarHBondContact OE2-CA 3.37Å; E266-E282 PolarHBondContact N-O 2.85Å; E266-E282 VanDerWaalsContact N-O 3.09Å; E266-E282 PolarHBondContact OE2-N 3.43Å; E266-L284 HydrophobicContact CG-CD1 4.05Å; E266-L284 HydrophobicContact CG-CD2 3.68Å; E266-L284 HydrophobicContact CG-CG 3.88Å
267	D	97.7	Very high	98.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-62.9	-36.9	177.9	60	2.3	0	0	0	113.3	I33 I37 W45 Y265 L269 N270 Y276 H278 I279 T280	I33-D267 HydrophobicContact CD1-CB 4.23Å; I37-D267 HydrophobicContact CD1-CB 3.95Å; W45-D267 HydrophobicContact CH2-CB 3.97Å; W45-D267 WeakPolarHBondContact CH2-O 3.44Å; W45-D267 HydrophobicContact CZ2-CB 4.09Å; Y265-D267 WeakPolarHBondContact CB-OD1 3.16Å; Y265-D267 PolarHBondContact O-N 3.03Å; D267-L269 PolarHBondContact O-N 3.25Å; D267-L269 VanDerWaalsContact O-N 3.12Å; D267-N270 PolarHBondContact O-N 3.21Å; D267-N270 VanDerWaalsContact O-N 3.1Å; D267-Y276 PolarHBondContact OD1-OH 2.68Å; D267-H278 IonicContact OD1-ND1 3.53Å; D267-H278 PolarHBondContact OD1-ND1 2.97Å; D267-H278 WeakPolarHBondContact OD2-CA 3.26Å; D267-H278 IonicContact OD2-CE1 3.93Å; D267-H278 IonicContact OD2-CG 2.85Å; D267-H278 IonicContact OD2-ND1 2.71Å; D267-H278 PolarHBondContact OD2-ND1 2.94Å; D267-I279 PolarHBondContact OD2-N 3.43Å; D267-T280 HydrophobicContact CB-CG2 4.41Å; D267-T280 VanDerWaalsContact CB-O 3.25Å; D267-T280 WeakPolarHBondContact CB-O 3.18Å; D267-T280 PolarHBondContact OD2-N 3.23Å; D267-T280 VanDerWaalsContact OD2-O 3.08Å
268	F	98.3	Very high	98.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-59.6	-28.1	-178.9	-173.2	-103.5	0	0	0	113.1	F262 V264 Y265 E266 N270 Y271 Y276 W309 W313 F319	F262-F268 HydrophobicContact CE2-CD1 4.35Å; F262-F268 HydrophobicContact CE2-CD2 4.25Å; F262-F268 HydrophobicContact CE2-CE1 4.23Å; F262-F268 HydrophobicContact CE2-CE2 4.12Å; F262-F268 HydrophobicContact CE2-CG 4.35Å; F262-F268 HydrophobicContact CE2-CZ 4.09Å; F262-F268 HydrophobicContact CZ-CD1 4.18Å; F262-F268 AromaticContact CZ-CE1 3.67Å; F262-F268 HydrophobicContact CZ-CE1 3.67Å; F262-F268 HydrophobicContact CZ-CE2 4.08Å; F262-F268 AromaticContact CZ-CZ 3.59Å; F262-F268 HydrophobicContact CZ-CZ 3.59Å; V264-F268 HydrophobicContact CG1-CB 4.11Å; V264-F268 HydrophobicContact CG1-CD1 3.95Å; V264-F268 HydrophobicContact CG1-CG 4.41Å; V264-F268 HydrophobicContact CG2-CD1 4.38Å; Y265-F268 WeakPolarHBondContact O-CB 3.48Å; Y265-F268 PolarHBondContact O-N 3.4Å; Y265-F268 VanDerWaalsContact O-N 3.16Å; E266-F268 PolarHBondContact O-N 3.12Å; F268-N270 PolarHBondContact O-N 2.98Å; F268-N270 VanDerWaalsContact O-N 3.11Å; F268-Y271 VanDerWaalsContact O-CB 3.26Å; F268-Y271 WeakPolarHBondContact O-CB 3.43Å; F268-Y271 PolarHBondContact O-N 3.16Å; F268-Y276 HydrophobicContact CB-CE1 4.39Å; F268-Y276 HydrophobicContact CB-CE2 3.91Å; F268-Y276 AromaticContact CD2-CD1 3.63Å; F268-Y276 HydrophobicContact CD2-CD1 3.63Å; F268-Y276 AromaticContact CD2-CD2 3.77Å; F268-Y276 HydrophobicContact CD2-CD2 3.77Å; F268-Y276 AromaticContact CD2-CE1 3.61Å; F268-Y276 HydrophobicContact CD2-CE1 3.61Å; F268-Y276 AromaticContact CD2-CE2 3.75Å; F268-Y276 HydrophobicContact CD2-CE2 3.75Å; F268-Y276 AromaticContact CD2-CG 3.72Å; F268-Y276 HydrophobicContact CD2-CG 3.72Å; F268-Y276 AromaticContact CD2-CZ 3.67Å; F268-Y276 AromaticContact CE2-CD1 3.98Å; F268-Y276 HydrophobicContact CE2-CD1 3.98Å; F268-Y276 HydrophobicContact CE2-CE1 4.32Å; F268-Y276 HydrophobicContact CE2-CG 4.09Å; F268-Y276 HydrophobicContact CG-CE1 4.37Å; F268-Y276 HydrophobicContact CG-CE2 4.35Å; F268-W309 HydrophobicContact CD1-CH2 4.27Å; F268-W309 HydrophobicContact CD1-CZ3 4.25Å; F268-W309 AromaticContact CE1-CH2 3.95Å; F268-W309 HydrophobicContact CE1-CH2 3.95Å; F268-W309 AromaticContact CE1-CZ3 3.75Å; F268-W309 HydrophobicContact CE1-CZ3 3.75Å; F268-W313 HydrophobicContact CD1-CZ2 4.41Å; F268-W313 AromaticContact CE1-CH2 3.86Å; F268-W313 HydrophobicContact CE1-CH2 3.86Å; F268-W313 AromaticContact CE1-CZ2 3.64Å; F268-W313 HydrophobicContact CE1-CZ2 3.64Å; F268-W313 HydrophobicContact CE2-CH2 4.23Å; F268-W313 HydrophobicContact CE2-CZ2 4.43Å; F268-W313 AromaticContact CZ-CH2 3.45Å; F268-W313 HydrophobicContact CZ-CH2 3.45Å; F268-W313 VanDerWaalsContact CZ-CH2 3.45Å; F268-W313 AromaticContact CZ-CZ2 3.67Å; F268-W313 HydrophobicContact CZ-CZ2 3.67Å; F268-F319 AromaticContact CE2-CD2 3.76Å; F268-F319 HydrophobicContact CE2-CD2 3.76Å; F268-F319 AromaticContact CE2-CE2 3.86Å; F268-F319 HydrophobicContact CE2-CE2 3.86Å; F268-F319 HydrophobicContact CE2-CG 4.3Å; F268-F319 HydrophobicContact CE2-CZ 4.48Å; F268-F319 HydrophobicContact CZ-CD1 4.31Å; F268-F319 AromaticContact CZ-CD2 3.92Å; F268-F319 HydrophobicContact CZ-CD2 3.92Å; F268-F319 HydrophobicContact CZ-CE1 4.25Å; F268-F319 AromaticContact CZ-CE2 3.87Å; F268-F319 HydrophobicContact CZ-CE2 3.87Å; F268-F319 HydrophobicContact CZ-CG 4.13Å; F268-F319 HydrophobicContact CZ-CZ 4.03Å
269	L	96.9	Very high	98.2	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-62.8	-20.5	-179.4	-55.8	-172.7	0	0	0	113.1	L29 S50 F53 L56 A59 V264 E266 D267 L284	L29-L269 HydrophobicContact CD1-CD1 4.49Å; L29-L269 HydrophobicContact CD2-CB 3.59Å; L29-L269 HydrophobicContact CD2-CD1 4.17Å; L29-L269 HydrophobicContact CG-CD1 4.31Å; S50-L269 WeakPolarHBondContact CB-O 3.27Å; S50-L269 PolarHBondContact OG-O 3.15Å; S50-L269 VanDerWaalsContact OG-O 3.07Å; F53-L269 HydrophobicContact CD2-CB 3.86Å; F53-L269 HydrophobicContact CD2-CD2 3.9Å; F53-L269 HydrophobicContact CD2-CG 4.35Å; F53-L269 HydrophobicContact CE2-CB 4.43Å; F53-L269 HydrophobicContact CE2-CD2 3.9Å; F53-L269 HydrophobicContact CG-CD2 4.49Å; F53-L269 HydrophobicContact CZ-CD2 4.49Å; L56-L269 HydrophobicContact CD2-CD1 3.99Å; A59-L269 HydrophobicContact CB-CD1 3.63Å; A59-L269 HydrophobicContact CB-CD2 3.65Å; A59-L269 HydrophobicContact CB-CG 4.31Å; V264-L269 HydrophobicContact CG1-CD2 3.99Å; E266-L269 PolarHBondContact O-N 3.45Å; D267-L269 PolarHBondContact O-N 3.25Å; D267-L269 VanDerWaalsContact O-N 3.12Å; L269-L284 HydrophobicContact CD1-CD1 3.57Å; L269-L284 HydrophobicContact CD2-CD1 4.09Å; L269-L284 HydrophobicContact CG-CD1 3.89Å
270	N	97.2	Very high	98	Very high	2 Å²	2	18 Å²	18	1%	0.011	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-99.5	2.3	176.3	-69.5	106.7	0	0	0	113.7	L29 I34 A47 E48 D267 F268 K272	L29-N270 WeakPolarHBondContact CA-OD1 3.48Å; I34-N270 HydrophobicContact CG1-CB 4.2Å; A47-N270 CarbonylContact C-O 3.59Å; A47-N270 VanDerWaalsContact CA-O 3.23Å; A47-N270 WeakPolarHBondContact CA-O 3.44Å; A47-N270 HydrophobicContact CB-CB 4.03Å; E48-N270 PolarHBondContact N-O 2.79Å; E48-N270 WeakPolarHBondContact O-CB 3.46Å; E48-N270 PolarHBondContact O-ND2 3.24Å; D267-N270 PolarHBondContact O-N 3.21Å; D267-N270 VanDerWaalsContact O-N 3.1Å; F268-N270 PolarHBondContact O-N 2.98Å; F268-N270 VanDerWaalsContact O-N 3.11Å; N270-K272 PolarHBondContact O-N 2.77Å
271	Y	98.3	Very high	97.9	Very high	7 Å²	7	18.8 Å²	18.8	3%	0.027	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	129.3	179.6	175	-90.9	0	0	0	112	W45 F268 G274 Y276 W313 E315 F319 R320	W45-Y271 HydrophobicContact CB-CD2 4.36Å; W45-Y271 HydrophobicContact CB-CE2 4.19Å; W45-Y271 HydrophobicContact CD2-CD2 4.38Å; W45-Y271 AromaticContact CE3-CD2 3.87Å; W45-Y271 HydrophobicContact CE3-CD2 3.87Å; W45-Y271 HydrophobicContact CZ3-CD2 4.49Å; F268-Y271 VanDerWaalsContact O-CB 3.26Å; F268-Y271 WeakPolarHBondContact O-CB 3.43Å; F268-Y271 PolarHBondContact O-N 3.16Å; Y271-G274 WeakPolarHBondContact CE2-O 3.25Å; Y271-G274 PolarHBondContact OH-O 2.83Å; Y271-Y276 HydrophobicContact CD2-CD2 4.42Å; Y271-W313 AromaticContact CD1-CH2 3.74Å; Y271-W313 HydrophobicContact CD1-CH2 3.74Å; Y271-W313 AromaticContact CD1-CZ2 3.93Å; Y271-W313 HydrophobicContact CD1-CZ2 3.93Å; Y271-W313 HydrophobicContact CD1-CZ3 4.39Å; Y271-W313 HydrophobicContact CE1-CH2 4.32Å; Y271-W313 HydrophobicContact CG-CZ2 4.49Å; Y271-E315 HydrophobicContact CE1-CG 4.29Å; Y271-E315 VanDerWaalsContact OH-CD 3.32Å; Y271-E315 PolarHBondContact OH-OE2 2.96Å; Y271-F319 HydrophobicContact CD1-CB 3.94Å; Y271-F319 HydrophobicContact CE1-CB 3.3Å; Y271-F319 HydrophobicContact CE2-CB 4.47Å; Y271-R320 PolarHBondContact OH-N 2.9Å
272	K	97.7	Very high	97.8	Very high	72 Å²	72	22.9 Å²	22.9	31%	0.313	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-48.3	172.9	-177.8	59.6	179.4	159.6	0	113.4	R46 E48 N270 G314	R46-K272 PolarHBondContact O-N 2.85Å; E48-K272 HydrophobicContact CB-CB 4.14Å; E48-K272 HydrophobicContact CB-CG 4.44Å; E48-K272 HydrophobicContact CG-CB 4.04Å; E48-K272 HydrophobicContact CG-CG 4.1Å; E48-K272 WeakPolarHBondContact OE2-CG 3.42Å; N270-K272 PolarHBondContact O-N 2.77Å; K272-G314 PolarHBondContact NZ-O 3.1Å; K272-G314 CarbonylContact O-C 3.29Å; K272-G314 WeakPolarHBondContact O-CA 3.31Å
273	S	98.4	Very high	97.7	Very high	39 Å²	39	25.5 Å²	25.5	27%	0.273	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	165.2	-175.6	60.1	0	0	0	0	112.8	W45 R46 E315	W45-S273 CarbonylContact C-O 3.49Å; W45-S273 VanDerWaalsContact CA-O 3.23Å; W45-S273 WeakPolarHBondContact CA-O 3.36Å; W45-S273 VanDerWaalsContact CB-O 3.27Å; W45-S273 WeakPolarHBondContact CB-O 3.21Å; R46-S273 PolarHBondContact N-O 3.21Å; S273-E315 WeakPolarHBondContact CA-OE1 3.45Å; S273-E315 WeakPolarHBondContact CB-OE1 3.2Å
274	G	98.5	Very high	97.6	Very high	11 Å²	11	25.6 Å²	25.6	11%	0.113	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.1	-165	-179.3	0	0	0	0	0	113	Y271 E315	Y271-G274 WeakPolarHBondContact CE2-O 3.25Å; Y271-G274 PolarHBondContact OH-O 2.83Å; G274-E315 PolarHBondContact N-OE1 3.19Å
275	I	98.7	Very high	97.5	Very high	6 Å²	6	27 Å²	27	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	102.8	-177.4	-57.5	168.9	0	0	0	108.7	G44 E297 T300 Y302 R320 V322	G44-I275 CarbonylContact C-O 3.56Å; G44-I275 PolarHBondContact O-N 3.5Å; I275-E297 HydrophobicContact CD1-CB 3.98Å; I275-T300 HydrophobicContact CB-CG2 4.41Å; I275-T300 HydrophobicContact CD1-CG2 3.73Å; I275-T300 HydrophobicContact CG2-CG2 4.01Å; I275-Y302 HydrophobicContact CD1-CD1 3.66Å; I275-Y302 HydrophobicContact CD1-CG 4.19Å; I275-Y302 HydrophobicContact CG1-CD1 4.1Å; I275-Y302 HydrophobicContact CG1-CG 4.23Å; I275-R320 HydrophobicContact CG1-CB 4.3Å; I275-V322 HydrophobicContact CG2-CG2 3.84Å
276	Y	98.8	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	136.1	177	177.9	-108.2	0	0	0	111.1	W45 D267 F268 Y271 R320 I321 V322	W45-Y276 HydrophobicContact CD2-CD2 4.03Å; W45-Y276 AromaticContact CE2-CD2 3.69Å; W45-Y276 HydrophobicContact CE3-CD2 4.44Å; W45-Y276 HydrophobicContact CG-CD2 4.46Å; W45-Y276 HydrophobicContact CH2-CD2 4.22Å; W45-Y276 HydrophobicContact CH2-CE2 4.14Å; W45-Y276 AromaticContact CZ2-CD2 3.81Å; W45-Y276 HydrophobicContact CZ2-CD2 3.81Å; W45-Y276 AromaticContact CZ2-CE2 3.75Å; W45-Y276 HydrophobicContact CZ2-CE2 3.75Å; W45-Y276 AromaticContact NE1-CD2 3.94Å; D267-Y276 PolarHBondContact OD1-OH 2.68Å; F268-Y276 HydrophobicContact CB-CE1 4.39Å; F268-Y276 HydrophobicContact CB-CE2 3.91Å; F268-Y276 AromaticContact CD2-CD1 3.63Å; F268-Y276 HydrophobicContact CD2-CD1 3.63Å; F268-Y276 AromaticContact CD2-CD2 3.77Å; F268-Y276 HydrophobicContact CD2-CD2 3.77Å; F268-Y276 AromaticContact CD2-CE1 3.61Å; F268-Y276 HydrophobicContact CD2-CE1 3.61Å; F268-Y276 AromaticContact CD2-CE2 3.75Å; F268-Y276 HydrophobicContact CD2-CE2 3.75Å; F268-Y276 AromaticContact CD2-CG 3.72Å; F268-Y276 HydrophobicContact CD2-CG 3.72Å; F268-Y276 AromaticContact CD2-CZ 3.67Å; F268-Y276 AromaticContact CE2-CD1 3.98Å; F268-Y276 HydrophobicContact CE2-CD1 3.98Å; F268-Y276 HydrophobicContact CE2-CE1 4.32Å; F268-Y276 HydrophobicContact CE2-CG 4.09Å; F268-Y276 HydrophobicContact CG-CE1 4.37Å; F268-Y276 HydrophobicContact CG-CE2 4.35Å; Y271-Y276 HydrophobicContact CD2-CD2 4.42Å; Y276-R320 WeakPolarHBondContact CB-O 3.1Å; Y276-R320 PolarHBondContact N-O 2.96Å; Y276-I321 HydrophobicContact CD1-CD1 3.81Å; Y276-I321 HydrophobicContact CD1-CG1 3.9Å; Y276-I321 HydrophobicContact CE1-CD1 4.27Å; Y276-I321 WeakPolarHBondContact O-CA 3.25Å; Y276-I321 WeakPolarHBondContact O-CG1 3.23Å; Y276-V322 PolarHBondContact O-N 3.01Å
277	K	98.2	Very high	97.6	Very high	64 Å²	64	24.9 Å²	24.9	28%	0.278	15%	0.151	S	C	.	.			trans	-143.7	148.4	158.2	64.4	-179.5	-178.3	-176.9	0	106.5	N42 A43 W45 I279 V322 E327	N42-K277 WeakPolarHBondContact O-CE 3.43Å; N42-K277 PolarHBondContact O-NZ 2.95Å; A43-K277 VanDerWaalsContact O-CE 3.23Å; A43-K277 WeakPolarHBondContact O-CE 3.38Å; W45-K277 PolarHBondContact NE1-O 2.83Å; K277-I279 HydrophobicContact CG-CG1 4.41Å; K277-I279 PolarHBondContact O-N 3.18Å; K277-V322 HydrophobicContact CB-CG2 3.85Å; K277-E327 WeakPolarHBondContact CA-OE1 3.44Å; K277-E327 HydrophobicContact CB-CG 4.4Å
278	H	98.1	Very high	97.6	Very high	56 Å²	56	24.9 Å²	24.9	26%	0.259	15%	0.151	S	C	.	.			trans	-65.8	135.8	176.3	176	52.7	0	0	0	110.6	Y265 D267 T280 G281 E327	Y265-H278 WeakPolarHBondContact CB-ND1 3.34Å; Y265-H278 AromaticContact CD1-CE1 3.37Å; Y265-H278 WeakPolarHBondContact CD1-CE1 3.48Å; Y265-H278 AromaticContact CD1-ND1 3.82Å; Y265-H278 AromaticContact CD1-NE2 3.51Å; Y265-H278 HydrophobicContact CD2-CB 4.16Å; Y265-H278 AromaticContact CD2-CG 3.84Å; Y265-H278 AromaticContact CD2-ND1 3.91Å; Y265-H278 AromaticContact CE1-NE2 3.76Å; Y265-H278 AromaticContact CG-CE1 3.49Å; Y265-H278 VanDerWaalsContact CG-CE1 3.49Å; Y265-H278 AromaticContact CG-CG 3.8Å; Y265-H278 AromaticContact CG-ND1 3.43Å; Y265-H278 AromaticContact CG-NE2 3.93Å; D267-H278 IonicContact OD1-ND1 3.53Å; D267-H278 PolarHBondContact OD1-ND1 2.97Å; D267-H278 WeakPolarHBondContact OD2-CA 3.26Å; D267-H278 IonicContact OD2-CE1 3.93Å; D267-H278 IonicContact OD2-CG 2.85Å; D267-H278 IonicContact OD2-ND1 2.71Å; D267-H278 PolarHBondContact OD2-ND1 2.94Å; H278-T280 PolarHBondContact CE1-O 2.72Å; H278-T280 PolarHBondContact ND1-O 2.79Å; H278-G281 PolarHBondContact CE1-O 2.68Å; H278-E327 PolarHBondContact N-OE1 3.13Å
279	I	97	Very high	97.6	Very high	18 Å²	18	25 Å²	25	9%	0.092	15%	0.151	C	C	.	.			trans	-124.3	-42.9	178.1	-55	177.2	0	0	0	110.4	Y36 A43 W45 D267 K277	Y36-I279 HydrophobicContact CE1-CG2 3.75Å; A43-I279 HydrophobicContact CB-CD1 3.55Å; W45-I279 HydrophobicContact CZ2-CD1 4.47Å; D267-I279 PolarHBondContact OD2-N 3.43Å; K277-I279 HydrophobicContact CG-CG1 4.41Å; K277-I279 PolarHBondContact O-N 3.18Å
280	T	96.5	Very high	97.7	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.018	15%	0.151	C	C	.	.	S	Bend	trans	-154.5	165.4	-176	-172	0	0	0	0	111.9	E24 F26 I33 Y36 D267 H278	E24-T280 PolarHBondContact O-OG1 3.12Å; F26-T280 HydrophobicContact CD2-CG2 4.01Å; F26-T280 HydrophobicContact CE2-CG2 4.42Å; I33-T280 HydrophobicContact CD1-CG2 3.99Å; I33-T280 HydrophobicContact CG1-CG2 3.87Å; Y36-T280 HydrophobicContact CD1-CG2 3.79Å; Y36-T280 HydrophobicContact CE1-CG2 3.8Å; D267-T280 HydrophobicContact CB-CG2 4.41Å; D267-T280 VanDerWaalsContact CB-O 3.25Å; D267-T280 WeakPolarHBondContact CB-O 3.18Å; D267-T280 PolarHBondContact OD2-N 3.23Å; D267-T280 VanDerWaalsContact OD2-O 3.08Å; H278-T280 PolarHBondContact CE1-O 2.72Å; H278-T280 PolarHBondContact ND1-O 2.79Å
281	G	96	Very high	97.8	Very high	16 Å²	16	24.8 Å²	24.8	17%	0.165	15%	0.151	C	C	.	.	S	Bend	trans	94.4	160.3	179.6	0	0	0	0	0	113.7	E266 H278	E266-G281 VanDerWaalsContact OE2-CA 3.26Å; E266-G281 WeakPolarHBondContact OE2-CA 3.37Å; H278-G281 PolarHBondContact CE1-O 2.68Å
282	E	95.8	Very high	97.9	Very high	96 Å²	96	24.5 Å²	24.5	45%	0.449	15%	0.149	S	C	.	.			trans	-85	160.1	-177.2	-58	-69.4	164	0	0	111.7	K25 Y265 E266	K25-E282 IonicContact NZ-OE1 3.57Å; K25-E282 PolarHBondContact NZ-OE1 3.49Å; Y265-E282 WeakPolarHBondContact CA-O 3.33Å; E266-E282 PolarHBondContact N-O 2.85Å; E266-E282 VanDerWaalsContact N-O 3.09Å; E266-E282 PolarHBondContact OE2-N 3.43Å
283	A	97	Very high	97.9	Very high	59 Å²	59	21 Å²	21	49%	0.488	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	131.7	175	0	0	0	0	0	111	T263 Y265	T263-A283 HydrophobicContact CG2-CB 3.9Å; Y265-A283 HydrophobicContact CD1-CB 4.06Å; Y265-A283 HydrophobicContact CE1-CB 3.76Å
284	L	96.8	Very high	97.9	Very high	19 Å²	19	19.3 Å²	19.3	10%	0.099	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-29.5	-179.6	-63.5	179.4	0	0	0	113.9	L56 M63 V264 E266 L269	L56-L284 HydrophobicContact CD1-CD2 3.99Å; L56-L284 HydrophobicContact CD2-CD1 3.96Å; L56-L284 HydrophobicContact CD2-CD2 3.74Å; L56-L284 HydrophobicContact CG-CD2 4.31Å; M63-L284 HydrophobicContact CE-CB 3.78Å; V264-L284 HydrophobicContact CG1-CD1 4.41Å; V264-L284 PolarHBondContact O-N 2.66Å; E266-L284 HydrophobicContact CG-CD1 4.05Å; E266-L284 HydrophobicContact CG-CD2 3.68Å; E266-L284 HydrophobicContact CG-CG 3.88Å; L269-L284 HydrophobicContact CD1-CD1 3.57Å; L269-L284 HydrophobicContact CD2-CD1 4.09Å; L269-L284 HydrophobicContact CG-CD1 3.89Å
285	G	96.7	Very high	98	Very high	30 Å²	30	18.8 Å²	18.8	31%	0.309	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	153.8	-178.2	-179.6	0	0	0	0	0	113.1	V264	V264-G285 PolarHBondContact N-O 2.89Å
286	G	98	Very high	98	Very high	23 Å²	23	21.6 Å²	21.6	24%	0.237	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	138.7	175.2	0	0	0	0	0	112.2	G64 A65 F262	G64-G286 PolarHBondContact N-O 3.37Å; A65-G286 PolarHBondContact N-O 3.45Å; A65-G286 CarbonylContact O-C 3.52Å; A65-G286 WeakPolarHBondContact O-CA 3.47Å; F262-G286 WeakPolarHBondContact O-CA 3.49Å
287	H	98.7	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.1	174.1	-172.4	52.5	0	0	0	110.3	M63 C117 S261 F262 V264 N307 W309	M63-H287 HydrophobicContact CG-CB 4.15Å; M63-H287 HydrophobicContact SD-CB 4.45Å; C117-H287 WeakPolarHBondContact CB-CE1 3.49Å; C117-H287 VanDerWaalsContact CB-ND1 3.3Å; C117-H287 WeakPolarHBondContact CB-ND1 3.43Å; C117-H287 PolarHBondContact SG-ND1 3.06Å; S261-H287 CarbonylContact C-O 3.24Å; S261-H287 WeakPolarHBondContact CA-O 3.25Å; S261-H287 WeakPolarHBondContact CB-O 3.34Å; F262-H287 HydrophobicContact CE1-CB 4.05Å; F262-H287 AromaticContact CE1-CD2 3.85Å; F262-H287 PolarHBondContact N-O 3.48Å; F262-H287 PolarHBondContact O-N 3.43Å; V264-H287 HydrophobicContact CG2-CB 3.45Å; V264-H287 VanDerWaalsContact CG2-CB 3.45Å; H287-N307 PolarHBondContact NE2-OD1 2.81Å; H287-W309 AromaticContact CD2-CZ2 3.98Å; H287-W309 AromaticContact CE1-CE2 3.82Å; H287-W309 AromaticContact CE1-CZ2 3.79Å; H287-W309 AromaticContact CE1-NE1 3.66Å; H287-W309 AromaticContact NE2-CE2 3.76Å; H287-W309 AromaticContact NE2-CZ2 3.68Å; H287-W309 AromaticContact NE2-NE1 3.96Å
288	A	98.8	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	141.7	178.5	0	0	0	0	0	110	A65 C117 W118 L163 A260	A65-A288 HydrophobicContact CB-CB 3.92Å; C117-A288 HydrophobicContact CB-CB 4.33Å; C117-A288 PolarHBondContact SG-N 2.88Å; C117-A288 VanDerWaalsContact SG-N 3.39Å; W118-A288 HydrophobicContact CB-CB 4.49Å; L163-A288 HydrophobicContact CD1-CB 3.97Å; L163-A288 HydrophobicContact CG-CB 4.34Å; A260-A288 CarbonylContact O-C 3.58Å; A260-A288 WeakPolarHBondContact O-CA 3.36Å
289	I	98.8	Very high	97.7	Very high	2 Å²	2	36 Å²	36	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	175.7	-172.4	56	65.5	0	0	0	110.4	E259 A260 F262 I291 I305 F319 I330	E259-I289 WeakPolarHBondContact CA-O 3.01Å; A260-I289 HydrophobicContact CB-CD1 3.81Å; A260-I289 PolarHBondContact N-O 3.05Å; A260-I289 PolarHBondContact O-N 3.35Å; F262-I289 HydrophobicContact CD1-CG1 4.18Å; F262-I289 HydrophobicContact CD1-CG2 4.37Å; F262-I289 HydrophobicContact CE1-CG1 4.39Å; F262-I289 HydrophobicContact CE1-CG2 3.81Å; I289-I291 HydrophobicContact CD1-CD1 4.36Å; I289-I291 HydrophobicContact CD1-CG1 3.53Å; I289-I305 HydrophobicContact CB-CG2 3.53Å; I289-I305 HydrophobicContact CD1-CD1 4.06Å; I289-I305 HydrophobicContact CD1-CG1 4.43Å; I289-I305 HydrophobicContact CD1-CG2 3.61Å; I289-I305 HydrophobicContact CG1-CD1 4.39Å; I289-I305 HydrophobicContact CG1-CG2 3.61Å; I289-I305 HydrophobicContact CG2-CG2 4.17Å; I289-F319 HydrophobicContact CG1-CZ 4.48Å; I289-F319 HydrophobicContact CG2-CE1 4.03Å; I289-F319 HydrophobicContact CG2-CZ 4.15Å; I289-I330 HydrophobicContact CD1-CD1 4Å; I289-I330 HydrophobicContact CG1-CD1 4.18Å
290	R	98.9	Very high	97.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	117	174.2	178.1	171.7	53	102.8	0.4	111.5	I105 T107 E124 A125 D128 P257 V258 I292 I305 A306	I105-R290 PolarHBondContact O-NH1 3.27Å; T107-R290 PolarHBondContact O-NH2 2.87Å; T107-R290 VanDerWaalsContact O-NH2 3.13Å; E124-R290 VanDerWaalsContact CB-NE 3.26Å; E124-R290 IonicContact OE2-CZ 2.72Å; E124-R290 IonicContact OE2-NE 3.54Å; E124-R290 PolarHBondContact OE2-NE 3.42Å; E124-R290 IonicContact OE2-NH2 3.64Å; E124-R290 PolarHBondContact OE2-NH2 3.49Å; A125-R290 HydrophobicContact CB-CG 4.26Å; D128-R290 IonicContact OD1-NH1 3.67Å; D128-R290 WeakPolarHBondContact OD2-CD 3.36Å; D128-R290 IonicContact OD2-CZ 3.03Å; D128-R290 IonicContact OD2-NE 2.79Å; D128-R290 IonicContact OD2-NH1 3.68Å; D128-R290 PolarHBondContact OD2-NH1 3.33Å; P257-R290 HydrophobicContact CB-CG 3.81Å; V258-R290 CarbonylContact O-C 3.37Å; V258-R290 WeakPolarHBondContact O-CA 3.23Å; R290-I292 HydrophobicContact CG-CG2 4.01Å; R290-I305 WeakPolarHBondContact O-CA 3.27Å; R290-A306 HydrophobicContact CB-CB 4.49Å; R290-A306 PolarHBondContact N-O 2.79Å; R290-A306 PolarHBondContact O-N 3.39Å
291	I	99	Very high	97.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	122.3	175.4	-47.9	-178.6	0	0	0	108.6	I252 P257 V258 A260 I289 W303 I305 I330	I252-I291 HydrophobicContact CD1-CB 4.06Å; I252-I291 HydrophobicContact CD1-CG2 3.62Å; P257-I291 VanDerWaalsContact CA-O 3.27Å; P257-I291 WeakPolarHBondContact CA-O 3.25Å; P257-I291 WeakPolarHBondContact CB-O 3.43Å; V258-I291 HydrophobicContact CG2-CB 3.88Å; V258-I291 HydrophobicContact CG2-CD1 4.38Å; V258-I291 HydrophobicContact CG2-CG1 4.31Å; V258-I291 PolarHBondContact N-O 3.09Å; V258-I291 VanDerWaalsContact N-O 3.12Å; V258-I291 PolarHBondContact O-N 2.01Å; A260-I291 HydrophobicContact CB-CD1 3.67Å; A260-I291 HydrophobicContact CB-CG1 4.02Å; I289-I291 HydrophobicContact CD1-CD1 4.36Å; I289-I291 HydrophobicContact CD1-CG1 3.53Å; I291-W303 HydrophobicContact CG2-CB 4.19Å; I291-W303 HydrophobicContact CG2-CD2 4.23Å; I291-W303 HydrophobicContact CG2-CE3 3.77Å; I291-W303 HydrophobicContact CG2-CG 4.44Å; I291-I305 HydrophobicContact CG1-CD1 4.35Å; I291-I305 HydrophobicContact CG1-CG1 4.19Å; I291-I305 HydrophobicContact CG2-CG1 4.46Å; I291-I330 HydrophobicContact CD1-CG1 4.44Å
292	I	98.9	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-6.8	-176.1	65.5	154.4	0	0	0	113.5	S95 R96 P257 R290 L304 A306 Y318	S95-I292 VanDerWaalsContact CB-O 3.22Å; S95-I292 WeakPolarHBondContact CB-O 3.43Å; S95-I292 PolarHBondContact N-O 3.15Å; S95-I292 PolarHBondContact OG-O 2.83Å; R96-I292 HydrophobicContact CG-CD1 4.1Å; P257-I292 HydrophobicContact CB-CG2 4.01Å; P257-I292 HydrophobicContact CG-CB 4.25Å; P257-I292 HydrophobicContact CG-CG2 3.93Å; R290-I292 HydrophobicContact CG-CG2 4.01Å; I292-L304 HydrophobicContact CD1-CD2 3.66Å; I292-L304 HydrophobicContact CD1-CG 3.92Å; I292-L304 HydrophobicContact CG1-CB 4.34Å; I292-L304 HydrophobicContact CG1-CD2 3.83Å; I292-L304 HydrophobicContact CG1-CG 3.71Å; I292-L304 WeakPolarHBondContact CG1-O 3.23Å; I292-L304 PolarHBondContact N-O 3.44Å; I292-A306 HydrophobicContact CG2-CB 4.41Å; I292-Y318 HydrophobicContact CD1-CD1 4.06Å; I292-Y318 HydrophobicContact CD1-CE1 3.58Å
293	G	98.9	Very high	98.1	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-165.9	-177.6	0	0	0	0	0	113.8	F93 L304	F93-G293 CarbonylContact O-C 3.5Å; F93-G293 WeakPolarHBondContact O-CA 3.36Å; G293-L304 PolarHBondContact N-O 2.77Å; G293-L304 PolarHBondContact O-N 2.74Å
294	W	98.9	Very high	98.2	Very high	3 Å²	3	34 Å²	34	1%	0.011	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	166.6	-179.9	62.6	89.8	0	0	0	111	I89 P90 N92 F93 Q249 I252 M253 Y302 W303	I89-W294 HydrophobicContact CG2-CH2 4.33Å; I89-W294 HydrophobicContact CG2-CZ2 3.51Å; P90-W294 HydrophobicContact CG-CZ2 4.13Å; P90-W294 PolarHBondContact O-NE1 3.14Å; N92-W294 WeakPolarHBondContact CA-O 3.49Å; F93-W294 HydrophobicContact CB-CD2 3.66Å; F93-W294 VanDerWaalsContact CB-CE2 3.4Å; F93-W294 HydrophobicContact CB-CE3 3.8Å; F93-W294 HydrophobicContact CB-CG 4.44Å; F93-W294 HydrophobicContact CB-CH2 3.59Å; F93-W294 HydrophobicContact CB-CZ2 3.38Å; F93-W294 HydrophobicContact CB-CZ3 3.75Å; F93-W294 HydrophobicContact CD1-CE3 4.12Å; F93-W294 AromaticContact CD1-CH2 4Å; F93-W294 HydrophobicContact CD1-CH2 4Å; F93-W294 AromaticContact CD1-CZ3 3.66Å; F93-W294 HydrophobicContact CD1-CZ3 3.66Å; F93-W294 HydrophobicContact CD2-CH2 4.24Å; F93-W294 HydrophobicContact CD2-CZ2 4.48Å; F93-W294 HydrophobicContact CE1-CZ3 4.49Å; F93-W294 HydrophobicContact CG-CE3 4.26Å; F93-W294 AromaticContact CG-CH2 3.68Å; F93-W294 HydrophobicContact CG-CH2 3.68Å; F93-W294 AromaticContact CG-CZ2 3.96Å; F93-W294 HydrophobicContact CG-CZ2 3.96Å; F93-W294 AromaticContact CG-CZ3 3.8Å; F93-W294 HydrophobicContact CG-CZ3 3.8Å; F93-W294 PolarHBondContact N-O 3.4Å; F93-W294 PolarHBondContact O-N 2.86Å; F93-W294 VanDerWaalsContact O-O 3.11Å; Q249-W294 HydrophobicContact CB-CE3 4.35Å; Q249-W294 HydrophobicContact CB-CH2 3.7Å; Q249-W294 HydrophobicContact CB-CZ2 3.93Å; Q249-W294 HydrophobicContact CB-CZ3 3.97Å; Q249-W294 HydrophobicContact CG-CD2 3.83Å; Q249-W294 HydrophobicContact CG-CE3 3.95Å; Q249-W294 HydrophobicContact CG-CG 4.38Å; Q249-W294 HydrophobicContact CG-CH2 4.09Å; Q249-W294 HydrophobicContact CG-CZ2 4.03Å; Q249-W294 HydrophobicContact CG-CZ3 4.09Å; Q249-W294 VanDerWaalsContact O-CH2 3.22Å; Q249-W294 WeakPolarHBondContact O-CH2 3.37Å; Q249-W294 WeakPolarHBondContact O-CZ3 3.4Å; I252-W294 HydrophobicContact CB-CZ3 3.96Å; I252-W294 HydrophobicContact CG2-CE3 4.49Å; I252-W294 HydrophobicContact CG2-CZ3 3.89Å; M253-W294 HydrophobicContact CB-CH2 3.81Å; M253-W294 HydrophobicContact CG-CH2 4.22Å; M253-W294 HydrophobicContact SD-CH2 4.2Å; M253-W294 HydrophobicContact SD-CZ2 4.47Å; W294-Y302 VanDerWaalsContact CA-O 3.23Å; W294-Y302 WeakPolarHBondContact CA-O 3.03Å; W294-Y302 WeakPolarHBondContact CB-O 3.48Å; W294-W303 HydrophobicContact CB-CE3 3.86Å; W294-W303 HydrophobicContact CB-CZ3 4.06Å; W294-W303 HydrophobicContact CD2-CZ3 4.43Å; W294-W303 HydrophobicContact CE3-CZ3 4.01Å; W294-W303 HydrophobicContact CG-CZ3 4.5Å
295	G	98.8	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	-169.9	171.3	0	0	0	0	0	112.9	N92 P301 Y302 R323	N92-G295 WeakPolarHBondContact OD1-CA 3.49Å; G295-P301 WeakPolarHBondContact O-CA 3.03Å; G295-Y302 VanDerWaalsContact CA-CZ 3.47Å; G295-Y302 PolarHBondContact N-O 3.29Å; G295-Y302 VanDerWaalsContact N-O 3.07Å; G295-Y302 WeakPolarHBondContact O-CD1 3.35Å; G295-Y302 PolarHBondContact O-N 3.06Å; G295-R323 PolarHBondContact O-NH2 2.6Å
296	V	98.6	Very high	98.4	Very high	64 Å²	64	31.6 Å²	31.6	39%	0.388	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125.9	172.4	-178.2	0	0	0	0	108.3	N92 T300	N92-V296 PolarHBondContact OD1-N 3.21Å; V296-T300 WeakPolarHBondContact CA-O 3.26Å
297	E	97.8	Very high	98.4	Very high	74 Å²	74	30.6 Å²	30.6	35%	0.346	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.2	172.5	-178.8	177.6	-101.9	0	0	108.4	I275 K299 T300 Y302 R320	I275-E297 HydrophobicContact CD1-CB 3.98Å; E297-K299 VanDerWaalsContact C-N 3.26Å; E297-K299 PolarHBondContact O-N 3.21Å; E297-T300 PolarHBondContact N-O 3.49Å; E297-T300 WeakPolarHBondContact O-CA 3.44Å; E297-T300 WeakPolarHBondContact O-CB 3.26Å; E297-T300 PolarHBondContact O-N 3.33Å; E297-Y302 HydrophobicContact CB-CD1 4.4Å; E297-Y302 HydrophobicContact CB-CE1 4.05Å; E297-R320 IonicContact OE1-CZ 2.57Å; E297-R320 IonicContact OE1-NH1 2.7Å; E297-R320 PolarHBondContact OE1-NH1 3.41Å; E297-R320 VanDerWaalsContact OE1-NH1 3.09Å; E297-R320 IonicContact OE1-NH2 2.93Å; E297-R320 IonicContact OE2-CZ 3.78Å; E297-R320 IonicContact OE2-NH1 3.21Å; E297-R320 PolarHBondContact OE2-NH1 3.23Å; E297-R320 IonicContact OE2-NH2 3.55Å
298	N	95.2	Very high	98.4	Very high	147 Å²	147	30.7 Å²	30.7	79%	0.786	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	46	-178.4	-59.6	-30.5	0	0	0	113.3	T300	N298-T300 PolarHBondContact O-N 3.3Å; N298-T300 VanDerWaalsContact O-N 3.14Å
299	K	96.3	Very high	98.2	Very high	203 Å²	203	30.7 Å²	30.7	88%	0.883	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	4.2	-175.5	-53	176.9	-179.6	176.2	0	115.5	E297	E297-K299 VanDerWaalsContact C-N 3.26Å; E297-K299 PolarHBondContact O-N 3.21Å
300	T	97.9	Very high	98	Very high	51 Å²	51	30.9 Å²	30.9	31%	0.313	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.9	178.1	-55.4	0	0	0	0	110.1	I275 V296 E297 N298 V322	I275-T300 HydrophobicContact CB-CG2 4.41Å; I275-T300 HydrophobicContact CD1-CG2 3.73Å; I275-T300 HydrophobicContact CG2-CG2 4.01Å; V296-T300 WeakPolarHBondContact CA-O 3.26Å; E297-T300 PolarHBondContact N-O 3.49Å; E297-T300 WeakPolarHBondContact O-CA 3.44Å; E297-T300 WeakPolarHBondContact O-CB 3.26Å; E297-T300 PolarHBondContact O-N 3.33Å; N298-T300 PolarHBondContact O-N 3.3Å; N298-T300 VanDerWaalsContact O-N 3.14Å; T300-V322 HydrophobicContact CG2-CG2 4.37Å
301	P	98.7	Very high	97.8	Very high	44 Å²	44	32.9 Å²	32.9	29%	0.286	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	138.6	174.6	30	-33.9	0	0	0	110.9	G295 R323	G295-P301 WeakPolarHBondContact O-CA 3.03Å; P301-R323 HydrophobicContact CB-CB 4.33Å; P301-R323 WeakPolarHBondContact CG-O 3.13Å; P301-R323 PolarHBondContact O-N 3.13Å
302	Y	98.9	Very high	97.4	Very high	36 Å²	36	35.9 Å²	35.9	14%	0.141	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.9	178.8	66.2	-95.1	0	0	0	113.2	I275 W294 G295 E297 L304 R320 I321 R323	I275-Y302 HydrophobicContact CD1-CD1 3.66Å; I275-Y302 HydrophobicContact CD1-CG 4.19Å; I275-Y302 HydrophobicContact CG1-CD1 4.1Å; I275-Y302 HydrophobicContact CG1-CG 4.23Å; W294-Y302 VanDerWaalsContact CA-O 3.23Å; W294-Y302 WeakPolarHBondContact CA-O 3.03Å; W294-Y302 WeakPolarHBondContact CB-O 3.48Å; G295-Y302 VanDerWaalsContact CA-CZ 3.47Å; G295-Y302 PolarHBondContact N-O 3.29Å; G295-Y302 VanDerWaalsContact N-O 3.07Å; G295-Y302 WeakPolarHBondContact O-CD1 3.35Å; G295-Y302 PolarHBondContact O-N 3.06Å; E297-Y302 HydrophobicContact CB-CD1 4.4Å; E297-Y302 HydrophobicContact CB-CE1 4.05Å; Y302-L304 HydrophobicContact CE2-CB 4.27Å; Y302-R320 HydrophobicContact CD2-CB 3.88Å; Y302-R320 HydrophobicContact CD2-CG 3.62Å; Y302-R320 VanDerWaalsContact CE2-CD 3.47Å; Y302-R320 HydrophobicContact CE2-CG 3.88Å; Y302-R320 HydrophobicContact CG-CB 4.14Å; Y302-R320 HydrophobicContact CG-CG 4.3Å; Y302-I321 CarbonylContact C-O 3.38Å; Y302-I321 WeakPolarHBondContact CA-O 3.25Å; Y302-I321 WeakPolarHBondContact CB-O 3.41Å; Y302-R323 PolarHBondContact O-NE 3.46Å
303	W	98.9	Very high	97.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	139.3	159.6	-65.8	115.8	0	0	0	109.9	E245 I248 Q249 I252 I291 W294 I305 R320 I321 R323 E331	E245-W303 HydrophobicContact CG-CH2 4.44Å; E245-W303 HydrophobicContact CG-CZ2 4.12Å; I248-W303 HydrophobicContact CB-CH2 3.76Å; I248-W303 HydrophobicContact CB-CZ2 4.14Å; I248-W303 HydrophobicContact CD1-CZ2 4.37Å; I248-W303 HydrophobicContact CG2-CH2 3.44Å; I248-W303 VanDerWaalsContact CG2-CH2 3.44Å; I248-W303 HydrophobicContact CG2-CZ2 3.9Å; I248-W303 HydrophobicContact CG2-CZ3 3.9Å; Q249-W303 HydrophobicContact CG-CH2 3.66Å; Q249-W303 HydrophobicContact CG-CZ3 3.87Å; I252-W303 HydrophobicContact CD1-CZ3 4.14Å; I291-W303 HydrophobicContact CG2-CB 4.19Å; I291-W303 HydrophobicContact CG2-CD2 4.23Å; I291-W303 HydrophobicContact CG2-CE3 3.77Å; I291-W303 HydrophobicContact CG2-CG 4.44Å; W294-W303 HydrophobicContact CB-CE3 3.86Å; W294-W303 HydrophobicContact CB-CZ3 4.06Å; W294-W303 HydrophobicContact CD2-CZ3 4.43Å; W294-W303 HydrophobicContact CE3-CZ3 4.01Å; W294-W303 HydrophobicContact CG-CZ3 4.5Å; W303-I305 HydrophobicContact CB-CD1 4.12Å; W303-I305 HydrophobicContact CB-CG1 4.05Å; W303-R320 VanDerWaalsContact O-CA 3.25Å; W303-R320 WeakPolarHBondContact O-CA 3.47Å; W303-I321 HydrophobicContact CB-CG2 3.99Å; W303-I321 PolarHBondContact N-O 3.3Å; W303-I321 PolarHBondContact O-N 2.99Å; W303-R323 HydrophobicContact CD2-CB 4.11Å; W303-R323 HydrophobicContact CD2-CG 3.97Å; W303-R323 VanDerWaalsContact CE2-CD 3.49Å; W303-R323 VanDerWaalsContact CE2-CG 3.43Å; W303-R323 HydrophobicContact CG-CB 3.99Å; W303-R323 HydrophobicContact CG-CG 4.38Å; W303-R323 HydrophobicContact CH2-CG 4.29Å; W303-R323 HydrophobicContact CZ2-CG 3.62Å; W303-E331 HydrophobicContact CZ2-CG 4.25Å; W303-E331 PolarHBondContact NE1-OE1 3.34Å
304	L	98.9	Very high	97.1	Very high	17 Å²	17	36.9 Å²	36.9	9%	0.089	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.1	171.5	175.7	64.5	0	0	0	108.9	I292 G293 Y302 Y318 R320	I292-L304 HydrophobicContact CD1-CD2 3.66Å; I292-L304 HydrophobicContact CD1-CG 3.92Å; I292-L304 HydrophobicContact CG1-CB 4.34Å; I292-L304 HydrophobicContact CG1-CD2 3.83Å; I292-L304 HydrophobicContact CG1-CG 3.71Å; I292-L304 WeakPolarHBondContact CG1-O 3.23Å; I292-L304 PolarHBondContact N-O 3.44Å; G293-L304 PolarHBondContact N-O 2.77Å; G293-L304 PolarHBondContact O-N 2.74Å; Y302-L304 HydrophobicContact CE2-CB 4.27Å; L304-Y318 HydrophobicContact CD1-CD1 4.43Å; L304-R320 HydrophobicContact CD1-CG 4.11Å
305	I	98.9	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.6	-167.4	-58.9	-177.9	0	0	0	110.8	I289 R290 I291 W303 Y318 F319 I321 I330	I289-I305 HydrophobicContact CB-CG2 3.53Å; I289-I305 HydrophobicContact CD1-CD1 4.06Å; I289-I305 HydrophobicContact CD1-CG1 4.43Å; I289-I305 HydrophobicContact CD1-CG2 3.61Å; I289-I305 HydrophobicContact CG1-CD1 4.39Å; I289-I305 HydrophobicContact CG1-CG2 3.61Å; I289-I305 HydrophobicContact CG2-CG2 4.17Å; R290-I305 WeakPolarHBondContact O-CA 3.27Å; I291-I305 HydrophobicContact CG1-CD1 4.35Å; I291-I305 HydrophobicContact CG1-CG1 4.19Å; I291-I305 HydrophobicContact CG2-CG1 4.46Å; W303-I305 HydrophobicContact CB-CD1 4.12Å; W303-I305 HydrophobicContact CB-CG1 4.05Å; I305-Y318 CarbonylContact O-C 3.49Å; I305-Y318 WeakPolarHBondContact O-CA 3.24Å; I305-Y318 WeakPolarHBondContact O-CB 3.45Å; I305-F319 HydrophobicContact CB-CD1 3.96Å; I305-F319 HydrophobicContact CB-CE1 3.64Å; I305-F319 HydrophobicContact CB-CE2 4.24Å; I305-F319 HydrophobicContact CB-CG 4.41Å; I305-F319 HydrophobicContact CB-CZ 3.79Å; I305-F319 HydrophobicContact CD1-CE1 4.46Å; I305-F319 HydrophobicContact CD1-CE2 3.79Å; I305-F319 HydrophobicContact CD1-CZ 3.72Å; I305-F319 HydrophobicContact CG1-CZ 4.34Å; I305-F319 HydrophobicContact CG2-CD1 3.94Å; I305-F319 HydrophobicContact CG2-CE1 3.19Å; I305-F319 HydrophobicContact CG2-CE2 4.38Å; I305-F319 HydrophobicContact CG2-CZ 3.47Å; I305-F319 VanDerWaalsContact CG2-CZ 3.47Å; I305-F319 PolarHBondContact N-O 2.92Å; I305-F319 PolarHBondContact O-N 2.79Å; I305-I321 HydrophobicContact CD1-CG2 3.38Å; I305-I321 HydrophobicContact CG1-CG2 4.44Å; I305-I330 HydrophobicContact CD1-CD1 3.75Å; I305-I330 HydrophobicContact CD1-CG1 4.14Å
306	A	98.9	Very high	96.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	128	167.1	0	0	0	0	0	109.7	I108 R290 I292 Y318	I108-A306 HydrophobicContact CD1-CB 3.7Å; R290-A306 HydrophobicContact CB-CB 4.49Å; R290-A306 PolarHBondContact N-O 2.79Å; R290-A306 PolarHBondContact O-N 3.39Å; I292-A306 HydrophobicContact CG2-CB 4.41Å; A306-Y318 HydrophobicContact CB-CD1 4.03Å; A306-Y318 HydrophobicContact CB-CE1 3.89Å
307	N	98.4	Very high	96.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.208	C	C	.	.			trans	-96.8	165.5	175.3	-158.1	-4.1	0	0	0	110.7	H287 W309 W313 G317 F319	H287-N307 PolarHBondContact NE2-OD1 2.81Å; N307-W309 WeakPolarHBondContact ND2-CZ3 3.27Å; N307-W313 HydrophobicContact CB-CE3 3.96Å; N307-W313 HydrophobicContact CB-CZ3 3.76Å; N307-W313 WeakPolarHBondContact ND2-CH2 3.37Å; N307-W313 WeakPolarHBondContact ND2-CZ3 3.4Å; N307-G317 WeakPolarHBondContact CB-O 3.23Å; N307-G317 PolarHBondContact N-O 3.07Å; N307-F319 HydrophobicContact CB-CD1 4.16Å; N307-F319 HydrophobicContact CB-CE1 4.2Å
308	S	97.7	Very high	96.9	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.021	19%	0.194	C	C	.	.	S	Bend	trans	-105.7	32.2	-178.3	49.5	0	0	0	0	112.5	R109 D110 Q111	R109-S308 CarbonylContact O-C 3.5Å; R109-S308 VanDerWaalsContact O-C 3.24Å; D110-S308 CarbonylContact C-O 3.58Å; D110-S308 WeakPolarHBondContact CA-O 3.46Å; Q111-S308 PolarHBondContact N-O 3.44Å; Q111-S308 PolarHBondContact OE1-OG 3.3Å
309	W	95.6	Very high	97.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-120.4	30.8	-171.8	-73.5	-8.1	0	0	0	112.9	R52 F53 Q62 M63 R109 F268 H287 N307 W313	R52-W309 VanDerWaalsContact CZ-CA 3.47Å; R52-W309 VanDerWaalsContact NE-CB 3.32Å; R52-W309 VanDerWaalsContact NH1-C 3.25Å; R52-W309 PolarHBondContact NH1-O 2.86Å; F53-W309 HydrophobicContact CE2-CE3 4.01Å; F53-W309 HydrophobicContact CE2-CH2 4.07Å; F53-W309 AromaticContact CE2-CZ3 3.69Å; F53-W309 HydrophobicContact CE2-CZ3 3.69Å; F53-W309 AromaticContact CZ-CD2 3.87Å; F53-W309 HydrophobicContact CZ-CD2 3.87Å; F53-W309 AromaticContact CZ-CE2 3.93Å; F53-W309 AromaticContact CZ-CE3 3.62Å; F53-W309 HydrophobicContact CZ-CE3 3.62Å; F53-W309 AromaticContact CZ-CH2 3.65Å; F53-W309 HydrophobicContact CZ-CH2 3.65Å; F53-W309 AromaticContact CZ-CZ2 3.85Å; F53-W309 HydrophobicContact CZ-CZ2 3.85Å; F53-W309 AromaticContact CZ-CZ3 3.52Å; F53-W309 HydrophobicContact CZ-CZ3 3.52Å; Q62-W309 PolarHBondContact O-NE1 3.27Å; Q62-W309 VanDerWaalsContact O-NE1 3.12Å; M63-W309 HydrophobicContact CG-CZ2 4.22Å; R109-W309 PolarHBondContact O-N 2.94Å; F268-W309 HydrophobicContact CD1-CH2 4.27Å; F268-W309 HydrophobicContact CD1-CZ3 4.25Å; F268-W309 AromaticContact CE1-CH2 3.95Å; F268-W309 HydrophobicContact CE1-CH2 3.95Å; F268-W309 AromaticContact CE1-CZ3 3.75Å; F268-W309 HydrophobicContact CE1-CZ3 3.75Å; H287-W309 AromaticContact CD2-CZ2 3.98Å; H287-W309 AromaticContact CE1-CE2 3.82Å; H287-W309 AromaticContact CE1-CZ2 3.79Å; H287-W309 AromaticContact CE1-NE1 3.66Å; H287-W309 AromaticContact NE2-CE2 3.76Å; H287-W309 AromaticContact NE2-CZ2 3.68Å; H287-W309 AromaticContact NE2-NE1 3.96Å; N307-W309 WeakPolarHBondContact ND2-CZ3 3.27Å; W309-W313 HydrophobicContact CB-CB 4.23Å; W309-W313 HydrophobicContact CB-CG 4.27Å; W309-W313 AromaticContact CE3-CD1 3.89Å; W309-W313 AromaticContact CE3-CD2 3.78Å; W309-W313 HydrophobicContact CE3-CD2 3.78Å; W309-W313 AromaticContact CE3-CE2 3.5Å; W309-W313 VanDerWaalsContact CE3-CE2 3.5Å; W309-W313 HydrophobicContact CE3-CE3 4.44Å; W309-W313 HydrophobicContact CE3-CG 4.04Å; W309-W313 AromaticContact CE3-CZ2 3.96Å; W309-W313 HydrophobicContact CE3-CZ2 3.96Å; W309-W313 AromaticContact CE3-NE1 3.56Å; W309-W313 HydrophobicContact CZ3-CD2 4.42Å; W309-W313 AromaticContact CZ3-CE2 3.7Å; W309-W313 AromaticContact CZ3-CZ2 3.76Å; W309-W313 HydrophobicContact CZ3-CZ2 3.76Å; W309-W313 AromaticContact CZ3-NE1 3.77Å
310	N	93.7	Very high	97.2	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.027	12%	0.119	C	C	.	.			trans	58.8	170.5	-172.7	76.9	45.7	0	0	0	115	R52 I108 R109 D110 C195 Y203 D312 G317	R52-N310 PolarHBondContact NH1-ND2 3.22Å; R52-N310 VanDerWaalsContact NH1-ND2 3.15Å; I108-N310 VanDerWaalsContact CG2-C 3.44Å; R109-N310 PolarHBondContact O-N 3.37Å; D110-N310 HydrophobicContact CB-CB 3.98Å; D110-N310 WeakPolarHBondContact OD2-CB 3.17Å; D110-N310 PolarHBondContact OD2-ND2 3.4Å; C195-N310 PolarHBondContact O-ND2 3.36Å; Y203-N310 HydrophobicContact CE2-CB 4.18Å; N310-D312 VanDerWaalsContact C-N 3.29Å; N310-D312 PolarHBondContact O-N 2.84Å; N310-D312 WeakPolarHBondContact OD1-CB 3.46Å; N310-D312 PolarHBondContact OD1-N 2.74Å; N310-G317 VanDerWaalsContact O-CA 3.26Å; N310-G317 WeakPolarHBondContact O-CA 3.14Å
311	E	94	Very high	97.2	Very high	42 Å²	42	20.4 Å²	20.4	20%	0.196	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-8.9	-173.5	66	-92.8	-148.7	0	0	114.4	I108 K194 K202 Y203 W313 N316 G317	I108-E311 HydrophobicContact CB-CB 4.48Å; K194-E311 IonicContact NZ-OE2 3.54Å; K194-E311 PolarHBondContact NZ-OE2 2.9Å; K202-E311 WeakPolarHBondContact CE-OE1 3.46Å; K202-E311 IonicContact NZ-OE1 2.92Å; K202-E311 PolarHBondContact NZ-OE1 3.17Å; Y203-E311 VanDerWaalsContact OH-CD 3.32Å; Y203-E311 PolarHBondContact OH-OE1 3.44Å; Y203-E311 PolarHBondContact OH-OE2 3.41Å; E311-W313 VanDerWaalsContact C-N 3.34Å; E311-N316 CarbonylContact O-C 3.54Å; E311-N316 WeakPolarHBondContact O-CA 3.36Å; E311-G317 PolarHBondContact O-N 2.82Å
312	D	92	Very high	97.2	Very high	63 Å²	63	19 Å²	19	34%	0.337	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-16.3	179.9	-53.3	-48.8	0	0	0	111.8	K202 N310	K202-D312 WeakPolarHBondContact CE-OD1 3.17Å; K202-D312 WeakPolarHBondContact CE-OD2 2.87Å; K202-D312 IonicContact NZ-OD1 2.79Å; K202-D312 PolarHBondContact NZ-OD1 3.42Å; K202-D312 IonicContact NZ-OD2 3.38Å; K202-D312 PolarHBondContact NZ-OD2 2.95Å; N310-D312 VanDerWaalsContact C-N 3.29Å; N310-D312 PolarHBondContact O-N 2.84Å; N310-D312 WeakPolarHBondContact OD1-CB 3.46Å; N310-D312 PolarHBondContact OD1-N 2.74Å
313	W	94.4	Very high	97.2	Very high	15 Å²	15	18.1 Å²	18.1	6%	0.057	9%	0.091	C	C	.	.	S	Bend	trans	-82.3	141.7	174.5	-177.8	88	0	0	0	112.2	F268 Y271 N307 W309 E311 E315 G317 F319	F268-W313 HydrophobicContact CD1-CZ2 4.41Å; F268-W313 AromaticContact CE1-CH2 3.86Å; F268-W313 HydrophobicContact CE1-CH2 3.86Å; F268-W313 AromaticContact CE1-CZ2 3.64Å; F268-W313 HydrophobicContact CE1-CZ2 3.64Å; F268-W313 HydrophobicContact CE2-CH2 4.23Å; F268-W313 HydrophobicContact CE2-CZ2 4.43Å; F268-W313 AromaticContact CZ-CH2 3.45Å; F268-W313 HydrophobicContact CZ-CH2 3.45Å; F268-W313 VanDerWaalsContact CZ-CH2 3.45Å; F268-W313 AromaticContact CZ-CZ2 3.67Å; F268-W313 HydrophobicContact CZ-CZ2 3.67Å; Y271-W313 AromaticContact CD1-CH2 3.74Å; Y271-W313 HydrophobicContact CD1-CH2 3.74Å; Y271-W313 AromaticContact CD1-CZ2 3.93Å; Y271-W313 HydrophobicContact CD1-CZ2 3.93Å; Y271-W313 HydrophobicContact CD1-CZ3 4.39Å; Y271-W313 HydrophobicContact CE1-CH2 4.32Å; Y271-W313 HydrophobicContact CG-CZ2 4.49Å; N307-W313 HydrophobicContact CB-CE3 3.96Å; N307-W313 HydrophobicContact CB-CZ3 3.76Å; N307-W313 WeakPolarHBondContact ND2-CH2 3.37Å; N307-W313 WeakPolarHBondContact ND2-CZ3 3.4Å; W309-W313 HydrophobicContact CB-CB 4.23Å; W309-W313 HydrophobicContact CB-CG 4.27Å; W309-W313 AromaticContact CE3-CD1 3.89Å; W309-W313 AromaticContact CE3-CD2 3.78Å; W309-W313 HydrophobicContact CE3-CD2 3.78Å; W309-W313 AromaticContact CE3-CE2 3.5Å; W309-W313 VanDerWaalsContact CE3-CE2 3.5Å; W309-W313 HydrophobicContact CE3-CE3 4.44Å; W309-W313 HydrophobicContact CE3-CG 4.04Å; W309-W313 AromaticContact CE3-CZ2 3.96Å; W309-W313 HydrophobicContact CE3-CZ2 3.96Å; W309-W313 AromaticContact CE3-NE1 3.56Å; W309-W313 HydrophobicContact CZ3-CD2 4.42Å; W309-W313 AromaticContact CZ3-CE2 3.7Å; W309-W313 AromaticContact CZ3-CZ2 3.76Å; W309-W313 HydrophobicContact CZ3-CZ2 3.76Å; W309-W313 AromaticContact CZ3-NE1 3.77Å; E311-W313 VanDerWaalsContact C-N 3.34Å; W313-E315 PolarHBondContact O-N 3.07Å; W313-G317 VanDerWaalsContact O-CA 3.27Å; W313-G317 WeakPolarHBondContact O-CA 3.25Å; W313-G317 PolarHBondContact O-N 3.11Å; W313-F319 HydrophobicContact CH2-CB 3.79Å; W313-F319 AromaticContact CH2-CD1 3.85Å; W313-F319 HydrophobicContact CH2-CD1 3.85Å; W313-F319 AromaticContact CH2-CG 3.94Å; W313-F319 HydrophobicContact CH2-CG 3.94Å; W313-F319 HydrophobicContact CZ3-CB 3.85Å; W313-F319 AromaticContact CZ3-CD1 3.76Å; W313-F319 HydrophobicContact CZ3-CD1 3.76Å; W313-F319 HydrophobicContact CZ3-CG 4.13Å
314	G	96.2	Very high	97.2	Very high	6 Å²	6	19.7 Å²	19.7	6%	0.062	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-133.2	174.4	0	0	0	0	0	114.1	K272 N316	K272-G314 PolarHBondContact NZ-O 3.1Å; K272-G314 CarbonylContact O-C 3.29Å; K272-G314 WeakPolarHBondContact O-CA 3.31Å; G314-N316 PolarHBondContact O-N 3.06Å
315	E	97.8	Very high	97.2	Very high	51 Å²	51	28.8 Å²	28.8	24%	0.238	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-94	71.3	-179.8	-58.1	-174.6	145.1	0	0	110.1	Y271 S273 G274 W313 G317 Y318 R320	Y271-E315 HydrophobicContact CE1-CG 4.29Å; Y271-E315 VanDerWaalsContact OH-CD 3.32Å; Y271-E315 PolarHBondContact OH-OE2 2.96Å; S273-E315 WeakPolarHBondContact CA-OE1 3.45Å; S273-E315 WeakPolarHBondContact CB-OE1 3.2Å; G274-E315 PolarHBondContact N-OE1 3.19Å; W313-E315 PolarHBondContact O-N 3.07Å; E315-G317 VanDerWaalsContact C-N 3.34Å; E315-G317 PolarHBondContact O-N 3.09Å; E315-Y318 PolarHBondContact N-O 3.32Å; E315-Y318 WeakPolarHBondContact O-CB 3.33Å; E315-Y318 WeakPolarHBondContact O-CD2 3.34Å; E315-Y318 PolarHBondContact O-N 2.9Å; E315-Y318 VanDerWaalsContact O-N 3.13Å; E315-R320 IonicContact OE1-CZ 3.68Å; E315-R320 IonicContact OE1-NE 3.91Å; E315-R320 IonicContact OE1-NH2 3.21Å; E315-R320 PolarHBondContact OE1-NH2 2.9Å; E315-R320 IonicContact OE2-CZ 3.95Å; E315-R320 IonicContact OE2-NE 2.72Å; E315-R320 PolarHBondContact OE2-NE 2.84Å; E315-R320 IonicContact OE2-NH2 3.53Å
316	N	96.4	Very high	97.1	Very high	110 Å²	110	30.4 Å²	30.4	59%	0.588	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	40.5	-176.6	-167.2	50.5	0	0	0	113.2	E311 G314 Y318	E311-N316 CarbonylContact O-C 3.54Å; E311-N316 WeakPolarHBondContact O-CA 3.36Å; G314-N316 PolarHBondContact O-N 3.06Å; N316-Y318 VanDerWaalsContact C-N 3.3Å; N316-Y318 VanDerWaalsContact O-CD2 3.25Å; N316-Y318 WeakPolarHBondContact O-CD2 3.23Å; N316-Y318 WeakPolarHBondContact O-CE2 2.92Å
317	G	96.9	Very high	97.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-3.2	-175.1	0	0	0	0	0	115.1	N307 N310 E311 W313 E315	N307-G317 WeakPolarHBondContact CB-O 3.23Å; N307-G317 PolarHBondContact N-O 3.07Å; N310-G317 VanDerWaalsContact O-CA 3.26Å; N310-G317 WeakPolarHBondContact O-CA 3.14Å; E311-G317 PolarHBondContact O-N 2.82Å; W313-G317 VanDerWaalsContact O-CA 3.27Å; W313-G317 WeakPolarHBondContact O-CA 3.25Å; W313-G317 PolarHBondContact O-N 3.11Å; E315-G317 VanDerWaalsContact C-N 3.34Å; E315-G317 PolarHBondContact O-N 3.09Å
318	Y	98.7	Very high	97.1	Very high	10 Å²	10	32.8 Å²	32.8	4%	0.039	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	164.5	174.5	-57.6	-96.5	0	0	0	110.8	R96 A106 I108 I292 L304 I305 A306 E315 N316	R96-Y318 VanDerWaalsContact NH1-CZ 3.29Å; A106-Y318 WeakPolarHBondContact CA-OH 3.47Å; A106-Y318 PolarHBondContact O-OH 3.38Å; I108-Y318 HydrophobicContact CD1-CD1 4.28Å; I108-Y318 HydrophobicContact CD1-CD2 4.14Å; I108-Y318 HydrophobicContact CD1-CE1 3.88Å; I108-Y318 HydrophobicContact CD1-CE2 3.7Å; I108-Y318 HydrophobicContact CD1-CG 4.4Å; I108-Y318 HydrophobicContact CG1-CD2 4.36Å; I108-Y318 HydrophobicContact CG1-CE2 3.75Å; I292-Y318 HydrophobicContact CD1-CD1 4.06Å; I292-Y318 HydrophobicContact CD1-CE1 3.58Å; L304-Y318 HydrophobicContact CD1-CD1 4.43Å; I305-Y318 CarbonylContact O-C 3.49Å; I305-Y318 WeakPolarHBondContact O-CA 3.24Å; I305-Y318 WeakPolarHBondContact O-CB 3.45Å; A306-Y318 HydrophobicContact CB-CD1 4.03Å; A306-Y318 HydrophobicContact CB-CE1 3.89Å; E315-Y318 PolarHBondContact N-O 3.32Å; E315-Y318 WeakPolarHBondContact O-CB 3.33Å; E315-Y318 WeakPolarHBondContact O-CD2 3.34Å; E315-Y318 PolarHBondContact O-N 2.9Å; E315-Y318 VanDerWaalsContact O-N 3.13Å; N316-Y318 VanDerWaalsContact C-N 3.3Å; N316-Y318 VanDerWaalsContact O-CD2 3.25Å; N316-Y318 WeakPolarHBondContact O-CD2 3.23Å; N316-Y318 WeakPolarHBondContact O-CE2 2.92Å
319	F	98.8	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	168	162.8	68.1	-76.3	0	0	0	109.8	F262 F268 Y271 I289 I305 N307 W313 I321	F262-F319 AromaticContact CE1-CZ 3.87Å; F262-F319 HydrophobicContact CE1-CZ 3.87Å; F262-F319 HydrophobicContact CZ-CE2 4.33Å; F262-F319 HydrophobicContact CZ-CZ 4.01Å; F268-F319 AromaticContact CE2-CD2 3.76Å; F268-F319 HydrophobicContact CE2-CD2 3.76Å; F268-F319 AromaticContact CE2-CE2 3.86Å; F268-F319 HydrophobicContact CE2-CE2 3.86Å; F268-F319 HydrophobicContact CE2-CG 4.3Å; F268-F319 HydrophobicContact CE2-CZ 4.48Å; F268-F319 HydrophobicContact CZ-CD1 4.31Å; F268-F319 AromaticContact CZ-CD2 3.92Å; F268-F319 HydrophobicContact CZ-CD2 3.92Å; F268-F319 HydrophobicContact CZ-CE1 4.25Å; F268-F319 AromaticContact CZ-CE2 3.87Å; F268-F319 HydrophobicContact CZ-CE2 3.87Å; F268-F319 HydrophobicContact CZ-CG 4.13Å; F268-F319 HydrophobicContact CZ-CZ 4.03Å; Y271-F319 HydrophobicContact CD1-CB 3.94Å; Y271-F319 HydrophobicContact CE1-CB 3.3Å; Y271-F319 HydrophobicContact CE2-CB 4.47Å; I289-F319 HydrophobicContact CG1-CZ 4.48Å; I289-F319 HydrophobicContact CG2-CE1 4.03Å; I289-F319 HydrophobicContact CG2-CZ 4.15Å; I305-F319 HydrophobicContact CB-CD1 3.96Å; I305-F319 HydrophobicContact CB-CE1 3.64Å; I305-F319 HydrophobicContact CB-CE2 4.24Å; I305-F319 HydrophobicContact CB-CG 4.41Å; I305-F319 HydrophobicContact CB-CZ 3.79Å; I305-F319 HydrophobicContact CD1-CE1 4.46Å; I305-F319 HydrophobicContact CD1-CE2 3.79Å; I305-F319 HydrophobicContact CD1-CZ 3.72Å; I305-F319 HydrophobicContact CG1-CZ 4.34Å; I305-F319 HydrophobicContact CG2-CD1 3.94Å; I305-F319 HydrophobicContact CG2-CE1 3.19Å; I305-F319 HydrophobicContact CG2-CE2 4.38Å; I305-F319 HydrophobicContact CG2-CZ 3.47Å; I305-F319 VanDerWaalsContact CG2-CZ 3.47Å; I305-F319 PolarHBondContact N-O 2.92Å; I305-F319 PolarHBondContact O-N 2.79Å; N307-F319 HydrophobicContact CB-CD1 4.16Å; N307-F319 HydrophobicContact CB-CE1 4.2Å; W313-F319 HydrophobicContact CH2-CB 3.79Å; W313-F319 AromaticContact CH2-CD1 3.85Å; W313-F319 HydrophobicContact CH2-CD1 3.85Å; W313-F319 AromaticContact CH2-CG 3.94Å; W313-F319 HydrophobicContact CH2-CG 3.94Å; W313-F319 HydrophobicContact CZ3-CB 3.85Å; W313-F319 AromaticContact CZ3-CD1 3.76Å; W313-F319 HydrophobicContact CZ3-CD1 3.76Å; W313-F319 HydrophobicContact CZ3-CG 4.13Å; F319-I321 HydrophobicContact CD2-CB 4.4Å; F319-I321 HydrophobicContact CE2-CB 4.15Å; F319-I321 HydrophobicContact CE2-CG2 4.33Å
320	R	98.9	Very high	97.3	Very high	26 Å²	26	37 Å²	37	10%	0.098	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.7	173.8	-64.7	173	-73.3	149.8	-0.2	109	Y271 I275 Y276 E297 Y302 W303 L304 E315	Y271-R320 PolarHBondContact OH-N 2.9Å; I275-R320 HydrophobicContact CG1-CB 4.3Å; Y276-R320 WeakPolarHBondContact CB-O 3.1Å; Y276-R320 PolarHBondContact N-O 2.96Å; E297-R320 IonicContact OE1-CZ 2.57Å; E297-R320 IonicContact OE1-NH1 2.7Å; E297-R320 PolarHBondContact OE1-NH1 3.41Å; E297-R320 VanDerWaalsContact OE1-NH1 3.09Å; E297-R320 IonicContact OE1-NH2 2.93Å; E297-R320 IonicContact OE2-CZ 3.78Å; E297-R320 IonicContact OE2-NH1 3.21Å; E297-R320 PolarHBondContact OE2-NH1 3.23Å; E297-R320 IonicContact OE2-NH2 3.55Å; Y302-R320 HydrophobicContact CD2-CB 3.88Å; Y302-R320 HydrophobicContact CD2-CG 3.62Å; Y302-R320 VanDerWaalsContact CE2-CD 3.47Å; Y302-R320 HydrophobicContact CE2-CG 3.88Å; Y302-R320 HydrophobicContact CG-CB 4.14Å; Y302-R320 HydrophobicContact CG-CG 4.3Å; W303-R320 VanDerWaalsContact O-CA 3.25Å; W303-R320 WeakPolarHBondContact O-CA 3.47Å; L304-R320 HydrophobicContact CD1-CG 4.11Å; E315-R320 IonicContact OE1-CZ 3.68Å; E315-R320 IonicContact OE1-NE 3.91Å; E315-R320 IonicContact OE1-NH2 3.21Å; E315-R320 PolarHBondContact OE1-NH2 2.9Å; E315-R320 IonicContact OE2-CZ 3.95Å; E315-R320 IonicContact OE2-NE 2.72Å; E315-R320 PolarHBondContact OE2-NE 2.84Å; E315-R320 IonicContact OE2-NH2 3.53Å
321	I	98.9	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.3	179.3	-172	169.2	0	0	0	109.5	F262 Y276 Y302 W303 I305 F319 R323 E327 C328 I330	F262-I321 HydrophobicContact CD2-CD1 4.26Å; Y276-I321 HydrophobicContact CD1-CD1 3.81Å; Y276-I321 HydrophobicContact CD1-CG1 3.9Å; Y276-I321 HydrophobicContact CE1-CD1 4.27Å; Y276-I321 WeakPolarHBondContact O-CA 3.25Å; Y276-I321 WeakPolarHBondContact O-CG1 3.23Å; Y302-I321 CarbonylContact C-O 3.38Å; Y302-I321 WeakPolarHBondContact CA-O 3.25Å; Y302-I321 WeakPolarHBondContact CB-O 3.41Å; W303-I321 HydrophobicContact CB-CG2 3.99Å; W303-I321 PolarHBondContact N-O 3.3Å; W303-I321 PolarHBondContact O-N 2.99Å; I305-I321 HydrophobicContact CD1-CG2 3.38Å; I305-I321 HydrophobicContact CG1-CG2 4.44Å; F319-I321 HydrophobicContact CD2-CB 4.4Å; F319-I321 HydrophobicContact CE2-CB 4.15Å; F319-I321 HydrophobicContact CE2-CG2 4.33Å; I321-R323 PolarHBondContact O-N 3.06Å; I321-E327 HydrophobicContact CD1-CB 4.38Å; I321-E327 HydrophobicContact CD1-CG 4.02Å; I321-E327 HydrophobicContact CG1-CB 4.18Å; I321-E327 HydrophobicContact CG1-CG 3.82Å; I321-C328 HydrophobicContact CD1-CB 4.46Å; I321-I330 HydrophobicContact CD1-CB 4.37Å; I321-I330 HydrophobicContact CG2-CG1 4Å
322	V	98.8	Very high	97.8	Very high	15 Å²	15	36.9 Å²	36.9	9%	0.091	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	134	178	171.3	0	0	0	0	111.2	I275 Y276 K277 T300 R325 E327	I275-V322 HydrophobicContact CG2-CG2 3.84Å; Y276-V322 PolarHBondContact O-N 3.01Å; K277-V322 HydrophobicContact CB-CG2 3.85Å; T300-V322 HydrophobicContact CG2-CG2 4.37Å; V322-R325 HydrophobicContact CG1-CB 4.45Å; V322-E327 HydrophobicContact CB-CB 4Å; V322-E327 HydrophobicContact CB-CG 4.12Å; V322-E327 HydrophobicContact CG1-CB 4.44Å
323	R	98.8	Very high	98.1	Very high	16 Å²	16	34.6 Å²	34.6	6%	0.06	17%	0.17	C	C	.	.			trans	-108.7	148.3	178	166.4	172.2	55.2	85.3	-0.5	111.3	E245 G295 P301 Y302 W303 I321	E245-R323 HydrophobicContact CG-CG 3.75Å; E245-R323 IonicContact OE1-CZ 3.65Å; E245-R323 IonicContact OE1-NH1 3.23Å; E245-R323 PolarHBondContact OE1-NH1 3.01Å; G295-R323 PolarHBondContact O-NH2 2.6Å; P301-R323 HydrophobicContact CB-CB 4.33Å; P301-R323 WeakPolarHBondContact CG-O 3.13Å; P301-R323 PolarHBondContact O-N 3.13Å; Y302-R323 PolarHBondContact O-NE 3.46Å; W303-R323 HydrophobicContact CD2-CB 4.11Å; W303-R323 HydrophobicContact CD2-CG 3.97Å; W303-R323 VanDerWaalsContact CE2-CD 3.49Å; W303-R323 VanDerWaalsContact CE2-CG 3.43Å; W303-R323 HydrophobicContact CG-CB 3.99Å; W303-R323 HydrophobicContact CG-CG 4.38Å; W303-R323 HydrophobicContact CH2-CG 4.29Å; W303-R323 HydrophobicContact CZ2-CG 3.62Å; I321-R323 PolarHBondContact O-N 3.06Å
324	G	98.4	Very high	98.3	Very high	33 Å²	33	33.9 Å²	33.9	34%	0.34	17%	0.168	S	C	.	.	S	Bend	trans	86.4	14.2	171.8	0	0	0	0	0	114.2	E245 E331	E245-G324 WeakPolarHBondContact OE2-CA 3.44Å; G324-E331 PolarHBondContact N-OE1 3.38Å
325	R	98	Very high	98.4	Very high	208 Å²	208	33.6 Å²	33.6	79%	0.785	17%	0.165	S	C	*	.	S	Bend	trans	-138	10.9	179.8	-63.1	-172.1	179.6	-174.1	-0.8	112.5	V322 E327	V322-R325 HydrophobicContact CG1-CB 4.45Å; R325-E327 PolarHBondContact O-N 3.38Å
326	D	98.6	Very high	98.4	Very high	35 Å²	35	31.2 Å²	31.2	19%	0.187	15%	0.153	C	C	.	.			trans	48.1	42.3	-174	-158.4	13	0	0	0	112.6	N243 C328 F329 I330 E331 S332	N243-D326 PolarHBondContact ND2-OD2 3.29Å; D326-C328 PolarHBondContact O-N 3.26Å; D326-F329 WeakPolarHBondContact O-CA 2.95Å; D326-F329 PolarHBondContact O-N 3.07Å; D326-F329 WeakPolarHBondContact OD1-CA 3.27Å; D326-I330 PolarHBondContact OD1-N 3.28Å; D326-E331 WeakPolarHBondContact CA-OE2 3.36Å; D326-E331 HydrophobicContact CB-CB 4.3Å; D326-E331 PolarHBondContact N-OE2 3.21Å; D326-E331 WeakPolarHBondContact OD1-CA 3.32Å; D326-E331 WeakPolarHBondContact OD1-CB 3.43Å; D326-E331 PolarHBondContact OD1-N 3.26Å; D326-S332 PolarHBondContact OD1-N 3.23Å; D326-S332 PolarHBondContact OD2-OG 3.01Å
327	E	98.6	Very high	98.6	Very high	39 Å²	39	26 Å²	26	18%	0.182	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-54.1	123.4	-176.9	-179.6	64.3	-156	0	0	109.9	K277 H278 I321 V322 R325 F329 I330	K277-E327 WeakPolarHBondContact CA-OE1 3.44Å; K277-E327 HydrophobicContact CB-CG 4.4Å; H278-E327 PolarHBondContact N-OE1 3.13Å; I321-E327 HydrophobicContact CD1-CB 4.38Å; I321-E327 HydrophobicContact CD1-CG 4.02Å; I321-E327 HydrophobicContact CG1-CB 4.18Å; I321-E327 HydrophobicContact CG1-CG 3.82Å; V322-E327 HydrophobicContact CB-CB 4Å; V322-E327 HydrophobicContact CB-CG 4.12Å; V322-E327 HydrophobicContact CG1-CB 4.44Å; R325-E327 PolarHBondContact O-N 3.38Å; E327-F329 PolarHBondContact O-N 3.32Å; E327-F329 VanDerWaalsContact O-N 3.1Å; E327-I330 HydrophobicContact CB-CG2 4.45Å; E327-I330 VanDerWaalsContact O-CB 3.24Å; E327-I330 WeakPolarHBondContact O-CB 3.31Å; E327-I330 WeakPolarHBondContact O-CG2 3.24Å; E327-I330 PolarHBondContact O-N 3.46Å
328	C	98.5	Very high	98.6	Very high	12 Å²	12	27.5 Å²	27.5	8%	0.081	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	53.2	28.1	-174.8	-59.3	0	0	0	0	114.5	F262 T263 Y265 I321 D326 I330	F262-C328 CarbonylContact C-O 3.55Å; F262-C328 VanDerWaalsContact CA-O 3.31Å; F262-C328 WeakPolarHBondContact CA-O 3.49Å; F262-C328 HydrophobicContact CB-CB 4.18Å; F262-C328 WeakPolarHBondContact CB-O 3.2Å; F262-C328 HydrophobicContact CD2-CB 4.05Å; T263-C328 PolarHBondContact N-O 3.3Å; T263-C328 WeakPolarHBondContact O-CB 3.41Å; Y265-C328 HydrophobicContact CE2-CB 4.3Å; I321-C328 HydrophobicContact CD1-CB 4.46Å; D326-C328 PolarHBondContact O-N 3.26Å; C328-I330 VanDerWaalsContact C-N 3.31Å; C328-I330 PolarHBondContact O-N 3.15Å
329	F	98.4	Very high	98.6	Very high	90 Å²	90	28.5 Å²	28.5	40%	0.395	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	65.4	24.5	-175.7	-52.1	-84	0	0	0	114.8	R67 S261 D326 E327 E331 S332	R67-F329 VanDerWaalsContact NH2-CE2 3.34Å; S261-F329 VanDerWaalsContact O-O 3.11Å; D326-F329 WeakPolarHBondContact O-CA 2.95Å; D326-F329 PolarHBondContact O-N 3.07Å; D326-F329 WeakPolarHBondContact OD1-CA 3.27Å; E327-F329 PolarHBondContact O-N 3.32Å; E327-F329 VanDerWaalsContact O-N 3.1Å; F329-E331 PolarHBondContact O-N 2.89Å; F329-S332 WeakPolarHBondContact O-CB 3.29Å; F329-S332 PolarHBondContact O-N 2.73Å
330	I	98.8	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.7	-176.6	-170.4	64.6	0	0	0	114.5	F262 I289 I291 I305 I321 D326 E327 C328	F262-I330 HydrophobicContact CB-CB 4.17Å; F262-I330 HydrophobicContact CB-CD1 3.77Å; F262-I330 HydrophobicContact CD1-CD1 4.18Å; F262-I330 HydrophobicContact CG-CD1 4.18Å; I289-I330 HydrophobicContact CD1-CD1 4Å; I289-I330 HydrophobicContact CG1-CD1 4.18Å; I291-I330 HydrophobicContact CD1-CG1 4.44Å; I305-I330 HydrophobicContact CD1-CD1 3.75Å; I305-I330 HydrophobicContact CD1-CG1 4.14Å; I321-I330 HydrophobicContact CD1-CB 4.37Å; I321-I330 HydrophobicContact CG2-CG1 4Å; D326-I330 PolarHBondContact OD1-N 3.28Å; E327-I330 HydrophobicContact CB-CG2 4.45Å; E327-I330 VanDerWaalsContact O-CB 3.24Å; E327-I330 WeakPolarHBondContact O-CB 3.31Å; E327-I330 WeakPolarHBondContact O-CG2 3.24Å; E327-I330 PolarHBondContact O-N 3.46Å; C328-I330 VanDerWaalsContact C-N 3.31Å; C328-I330 PolarHBondContact O-N 3.15Å
331	E	98.8	Very high	98.3	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.033	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-13.3	-179.2	-69.1	154.2	-167.6	0	0	112.1	N243 I248 W303 G324 D326 F329	N243-E331 WeakPolarHBondContact CA-O 3.37Å; N243-E331 VanDerWaalsContact OD1-CB 3.24Å; N243-E331 WeakPolarHBondContact OD1-CB 3.43Å; I248-E331 HydrophobicContact CD1-CB 3.72Å; I248-E331 HydrophobicContact CD1-CG 3.7Å; W303-E331 HydrophobicContact CZ2-CG 4.25Å; W303-E331 PolarHBondContact NE1-OE1 3.34Å; G324-E331 PolarHBondContact N-OE1 3.38Å; D326-E331 WeakPolarHBondContact CA-OE2 3.36Å; D326-E331 HydrophobicContact CB-CB 4.3Å; D326-E331 PolarHBondContact N-OE2 3.21Å; D326-E331 WeakPolarHBondContact OD1-CA 3.32Å; D326-E331 WeakPolarHBondContact OD1-CB 3.43Å; D326-E331 PolarHBondContact OD1-N 3.26Å; F329-E331 PolarHBondContact O-N 2.89Å
332	S	98.5	Very high	98.3	Very high	38 Å²	38	35.8 Å²	35.8	27%	0.266	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-39.6	-176.3	-83.4	0	0	0	0	115.3	N243 D326 F329	N243-S332 PolarHBondContact ND2-OG 3.41Å; D326-S332 PolarHBondContact OD1-N 3.23Å; D326-S332 PolarHBondContact OD2-OG 3.01Å; F329-S332 WeakPolarHBondContact O-CB 3.29Å; F329-S332 PolarHBondContact O-N 2.73Å
333	E	97.9	Very high	98.2	Very high	16 Å²	16	37 Å²	37	8%	0.075	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	37.3	-173.2	-73.3	-161.2	132.3	0	0	114	R67 E68 S261 I335	R67-E333 WeakPolarHBondContact CA-OE1 3.37Å; R67-E333 WeakPolarHBondContact CA-OE2 3.22Å; R67-E333 WeakPolarHBondContact CG-OE2 3.49Å; E68-E333 PolarHBondContact N-OE1 3.45Å; S261-E333 PolarHBondContact OG-OE2 2.91Å; E333-I335 PolarHBondContact O-N 3.34Å
334	V	98.9	Very high	98.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.			trans	-67.1	132.2	173.7	-174.7	0	0	0	0	110.8	R73 V241 I248 V258 E259 A260	R73-V334 PolarHBondContact NH2-O 3.4Å; V241-V334 HydrophobicContact CB-CB 4.01Å; V241-V334 HydrophobicContact CB-CG1 3.8Å; V241-V334 HydrophobicContact CG2-CB 4.49Å; V241-V334 HydrophobicContact CG2-CG1 3.8Å; V241-V334 PolarHBondContact N-O 2.95Å; I248-V334 HydrophobicContact CD1-CG2 3.69Å; I248-V334 HydrophobicContact CG1-CB 4.33Å; I248-V334 HydrophobicContact CG1-CG1 4.37Å; I248-V334 HydrophobicContact CG1-CG2 3.97Å; I248-V334 HydrophobicContact CG2-CG1 4.45Å; I248-V334 HydrophobicContact CG2-CG2 4.49Å; V258-V334 HydrophobicContact CB-CG1 3.85Å; V258-V334 HydrophobicContact CG1-CG1 4.35Å; V258-V334 HydrophobicContact CG2-CG1 3.57Å; E259-V334 WeakPolarHBondContact O-CA 3.42Å; A260-V334 HydrophobicContact CB-CG2 3.91Å
335	I	98.9	Very high	98.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	148.5	178.6	-172.1	162.5	0	0	0	111.4	L163 W167 Y239 E259 E333	L163-I335 HydrophobicContact CB-CG2 3.89Å; L163-I335 HydrophobicContact CD2-CG2 4.27Å; W167-I335 HydrophobicContact CB-CD1 3.98Å; W167-I335 HydrophobicContact CB-CG1 4.32Å; W167-I335 HydrophobicContact CD2-CG1 4.4Å; W167-I335 HydrophobicContact CG-CD1 3.95Å; W167-I335 HydrophobicContact CG-CG1 3.91Å; W167-I335 HydrophobicContact CG-CG2 4.43Å; Y239-I335 WeakPolarHBondContact O-CG1 3.49Å; E259-I335 HydrophobicContact CB-CG2 3.94Å; E259-I335 HydrophobicContact CG-CG2 4.32Å; E259-I335 PolarHBondContact N-O 2.92Å; E259-I335 VanDerWaalsContact N-O 3.12Å; E259-I335 PolarHBondContact O-N 3.36Å; E333-I335 PolarHBondContact O-N 3.34Å
336	A	98.9	Very high	98.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	-170.3	175.7	0	0	0	0	0	111.8	W167 Y239 E251 V258	W167-A336 HydrophobicContact CH2-CB 4.38Å; W167-A336 HydrophobicContact CZ3-CB 4.49Å; Y239-A336 HydrophobicContact CD2-CB 4.47Å; Y239-A336 HydrophobicContact CE2-CB 3.83Å; Y239-A336 PolarHBondContact N-O 3.18Å; Y239-A336 PolarHBondContact O-N 3.03Å; E251-A336 HydrophobicContact CG-CB 4.42Å; V258-A336 HydrophobicContact CG1-CB 3.97Å
337	G	98.7	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	169.8	178.8	0	0	0	0	0	111.3	R129 Q133 W167 S237	R129-G337 WeakPolarHBondContact CD-O 3.44Å; R129-G337 PolarHBondContact NH1-O 3.43Å; Q133-G337 PolarHBondContact NE2-O 3.07Å; W167-G337 VanDerWaalsContact CE3-N 3.28Å; S237-G337 CarbonylContact O-C 3.56Å; S237-G337 WeakPolarHBondContact O-CA 3.47Å
338	Q	98.7	Very high	98.1	Very high	33 Å²	33	25.8 Å²	25.8	15%	0.154	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.5	178.5	-73	171.2	68.1	0	0	111.1	K236 S237 Y239 Y255	K236-Q338 WeakPolarHBondContact CA-O 3.39Å; K236-Q338 WeakPolarHBondContact CB-O 3.36Å; K236-Q338 PolarHBondContact N-O 2.91Å; S237-Q338 PolarHBondContact N-O 3.16Å; S237-Q338 VanDerWaalsContact N-O 3.15Å; S237-Q338 PolarHBondContact O-N 2.77Å; S237-Q338 VanDerWaalsContact O-N 3.08Å; Y239-Q338 HydrophobicContact CE1-CG 4.08Å; Y239-Q338 WeakPolarHBondContact OH-CG 3.38Å; Y239-Q338 PolarHBondContact OH-NE2 3.36Å; Y255-Q338 HydrophobicContact CD1-CG 4.22Å; Y255-Q338 VanDerWaalsContact CE1-OE1 3.27Å
339	I	98	Very high	98.1	Very high	31 Å²	31	26.9 Å²	26.9	16%	0.159	14%	0.138	C	C	.	.			trans	-89.2	-13	173.8	73.1	-179.7	0	0	0	112.8	Q133 W170	Q133-I339 HydrophobicContact CB-CD1 3.72Å; Q133-I339 HydrophobicContact CB-CG1 3.67Å; W170-I339 HydrophobicContact CH2-CG2 3.61Å; W170-I339 HydrophobicContact CZ2-CG2 3.65Å
340	N	92.8	Very high	98.1	Very high	108 Å²	108	21.2 Å²	21.2	58%	0.578	12%	0.115	S	C	*	.			trans	-141	0	-176.7	47.6	52.8	0	0	0	114	Q133 K236	Q133-N340 PolarHBondContact O-ND2 2.85Å; K236-N340 VanDerWaalsContact CD-C 3.42Å; K236-N340 WeakPolarHBondContact CD-OXT 3.08Å; K236-N340 WeakPolarHBondContact CE-OXT 3.38Å; K236-N340 PolarHBondContact NZ-OXT 2.8Å

Retrieved 340 of 340 residues in 640.8 ms (Link to these results)

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