A0A3Q0KIN2_SCHMA Loading...

Cathepsin B-like cysteine proteinase

Thiol protease. Has a role as a digestive enzyme.

AlphaFold DB , UniProt , Accession A0A3Q0KIN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 349 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	37	Very low	240 Å²	240	151.5 Å²	151.5	100%	1.182	80%	0.799	S	S	*	*				0	89.5	0	-82.3	169.3	57.7	0	0	108.6
2	I	35.1	Very low	36.8	Very low	159 Å²	159	146.9 Å²	146.9	82%	0.815	78%	0.781	S	S	*	*			trans	-132.9	105.1	170.4	-62.3	178	0	0	0	105.6	L4	I2-L4 PolarHBondContact O-N 3.37Å
3	L	36.4	Very low	36.6	Very low	159 Å²	159	146.6 Å²	146.6	83%	0.832	78%	0.778	S	S	*	*			trans	-66.5	114	176.5	-119.6	77.4	0	0	0	108	L5	L3-L5 PolarHBondContact O-N 3.26Å
4	L	37.8	Very low	36.3	Very low	157 Å²	157	149.1 Å²	149.1	82%	0.822	78%	0.78	S	S	*	*			trans	-76	103.5	168.9	-83.5	106.4	0	0	0	109	I2 I6	I2-L4 PolarHBondContact O-N 3.37Å; L4-I6 PolarHBondContact O-N 3.14Å
5	L	40.4	Very low	36.3	Very low	151 Å²	151	147.9 Å²	147.9	79%	0.791	78%	0.781	S	S	*	*			trans	-71.3	105.9	164.1	-86.9	117.9	0	0	0	108.8	L3 T7	L3-L5 PolarHBondContact O-N 3.26Å; L5-T7 PolarHBondContact O-N 3.34Å
6	I	39.2	Very low	36.2	Very low	150 Å²	150	147.6 Å²	147.6	77%	0.769	78%	0.78	S	S	*	*			trans	-79.6	93.7	170.1	-60.2	171.2	0	0	0	106.9	L4 T8	L4-I6 PolarHBondContact O-N 3.14Å; I6-T8 PolarHBondContact O-N 3.19Å
7	T	37.6	Very low	36.4	Very low	111 Å²	111	148.4 Å²	148.4	68%	0.681	79%	0.785	S	S	*	*			trans	-75.4	108.3	168.5	40.9	0	0	0	0	109.2	L5 I9	L5-T7 PolarHBondContact O-N 3.34Å; T7-I9 PolarHBondContact O-N 3.28Å; T7-I9 VanDerWaalsContact O-N 3.14Å
8	T	36.4	Very low	36.6	Very low	126 Å²	126	149.9 Å²	149.9	77%	0.773	79%	0.787	S	S	*	*			trans	-66.6	102.8	174.1	-19.2	0	0	0	0	109.4	I6 I10	I6-T8 PolarHBondContact O-N 3.19Å; T8-I10 PolarHBondContact O-N 3.19Å
9	I	36.3	Very low	36.5	Very low	141 Å²	141	148.8 Å²	148.8	72%	0.723	78%	0.782	S	S	*	*			trans	-76.7	101.6	172.8	-62.9	173.9	0	0	0	107.3	T7 I11	T7-I9 PolarHBondContact O-N 3.28Å; T7-I9 VanDerWaalsContact O-N 3.14Å; I9-I11 HydrophobicContact CG2-CG1 3.86Å; I9-I11 PolarHBondContact O-N 3.05Å
10	I	35.7	Very low	36.3	Very low	142 Å²	142	147.3 Å²	147.3	73%	0.728	78%	0.782	S	S	*	*			trans	-76	98.4	168.9	-61.4	175.9	0	0	0	106.7	T8 V12	T8-I10 PolarHBondContact O-N 3.19Å; I10-V12 HydrophobicContact CG2-CG2 4.03Å; I10-V12 PolarHBondContact O-N 3.18Å
11	I	34.8	Very low	36.2	Very low	130 Å²	130	147.4 Å²	147.4	67%	0.667	78%	0.778	S	S	*	*			trans	-73.9	94.4	172.1	-58.4	176.9	0	0	0	107.1	I9 L13	I9-I11 HydrophobicContact CG2-CG1 3.86Å; I9-I11 PolarHBondContact O-N 3.05Å; I11-L13 HydrophobicContact CG2-CD2 3.89Å; I11-L13 HydrophobicContact CG2-CG 4.09Å; I11-L13 PolarHBondContact O-N 3.21Å; I11-L13 VanDerWaalsContact O-N 3.16Å
12	V	33.7	Very low	36.3	Very low	97 Å²	97	142.9 Å²	142.9	59%	0.588	76%	0.758	S	S	*	*			trans	-74	99.3	164.9	-179.8	0	0	0	0	106.5	I10 F14	I10-V12 HydrophobicContact CG2-CG2 4.03Å; I10-V12 PolarHBondContact O-N 3.18Å; V12-F14 HydrophobicContact CB-CE2 4.45Å; V12-F14 HydrophobicContact CG1-CD2 4.24Å; V12-F14 HydrophobicContact CG1-CE2 3.95Å; V12-F14 HydrophobicContact CG1-CZ 4.41Å; V12-F14 PolarHBondContact O-N 3.15Å
13	L	34.1	Very low	36.5	Very low	143 Å²	143	142.4 Å²	142.4	75%	0.749	76%	0.755	S	S	*	*			trans	-67.4	97.1	172.6	-69.4	168.2	0	0	0	108.4	I11 V15	I11-L13 HydrophobicContact CG2-CD2 3.89Å; I11-L13 HydrophobicContact CG2-CG 4.09Å; I11-L13 PolarHBondContact O-N 3.21Å; I11-L13 VanDerWaalsContact O-N 3.16Å; L13-V15 PolarHBondContact O-N 3.01Å; L13-V15 VanDerWaalsContact O-N 3.15Å
14	F	32.4	Very low	36.7	Very low	182 Å²	182	141.9 Å²	141.9	80%	0.798	75%	0.749	S	S	*	*			trans	-68.7	101	157.6	-73.8	-87.6	0	0	0	106.7	V12 D16	V12-F14 HydrophobicContact CB-CE2 4.45Å; V12-F14 HydrophobicContact CG1-CD2 4.24Å; V12-F14 HydrophobicContact CG1-CE2 3.95Å; V12-F14 HydrophobicContact CG1-CZ 4.41Å; V12-F14 PolarHBondContact O-N 3.15Å; F14-D16 PolarHBondContact O-N 3.16Å
15	V	36.2	Very low	37.1	Very low	131 Å²	131	141.1 Å²	141.1	79%	0.794	74%	0.741	S	S	*	*			trans	-76.2	104.2	171.5	178	0	0	0	0	106.7	L13 N17	L13-V15 PolarHBondContact O-N 3.01Å; L13-V15 VanDerWaalsContact O-N 3.15Å; V15-N17 PolarHBondContact O-N 3.02Å
16	D	34.8	Very low	37.4	Very low	143 Å²	143	140.8 Å²	140.8	77%	0.765	74%	0.74	S	S	*	*			trans	-55.5	129.3	172.1	-78.8	-41.1	0	0	0	110.8	F14 E18	F14-D16 PolarHBondContact O-N 3.16Å; D16-E18 VanDerWaalsContact C-N 3.25Å; D16-E18 PolarHBondContact O-N 3.44Å
17	N	40.5	Very low	38.5	Very low	161 Å²	161	141.9 Å²	141.9	86%	0.861	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	48.4	-169	-163.6	22.9	0	0	0	112.8	V15	V15-N17 PolarHBondContact O-N 3.02Å
18	E	40.6	Very low	40.2	Very low	176 Å²	176	140.5 Å²	140.5	82%	0.822	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.2	-0.1	-179	-77.7	-144.4	157	0	0	116.6	D16	D16-E18 VanDerWaalsContact C-N 3.25Å; D16-E18 PolarHBondContact O-N 3.44Å
19	N	33.1	Very low	42.5	Very low	129 Å²	129	141.9 Å²	141.9	69%	0.69	72%	0.723	S	S	*	*			trans	-124.6	68.5	168.8	-75.6	-49.1	0	0	0	110.2	H21	N19-H21 PolarHBondContact O-N 2.74Å
20	C	33.4	Very low	45.1	Very low	117 Å²	117	137 Å²	137	79%	0.791	70%	0.697	S	S	*	*			trans	-62.6	78.2	149.5	-164.4	0	0	0	0	106.1	L22	C20-L22 PolarHBondContact O-N 2.75Å
21	H	34.6	Very low	48	Very low	150 Å²	150	135 Å²	135	69%	0.694	68%	0.684	S	S	*	*			trans	-54.8	99.4	165.6	-81.9	-67.8	0	0	0	104.8	N19 I23	N19-H21 PolarHBondContact O-N 2.74Å; H21-I23 PolarHBondContact O-N 2.72Å
22	L	38.7	Very low	50.8	Low	146 Å²	146	128.9 Å²	128.9	76%	0.764	65%	0.652	S	S	*	*			trans	-47.2	96.1	157.8	-79.7	140.5	0	0	0	104.6	C20 Q24	C20-L22 PolarHBondContact O-N 2.75Å; L22-Q24 HydrophobicContact CB-CB 4.44Å; L22-Q24 PolarHBondContact O-N 2.73Å
23	I	39.5	Very low	53.7	Low	148 Å²	148	124.7 Å²	124.7	76%	0.759	63%	0.627	S	S	*	*			trans	-67.3	71.4	152.1	-53.2	176	0	0	0	103.2	H21 Q25	H21-I23 PolarHBondContact O-N 2.72Å; I23-Q25 HydrophobicContact CG2-CG 4.04Å; I23-Q25 PolarHBondContact O-N 2.77Å
24	Q	40.2	Very low	56.6	Low	148 Å²	148	118.3 Å²	118.3	69%	0.692	59%	0.594	S	S	*	*			trans	-65.9	83.7	158.9	-163.3	170.8	1.4	0	0	101.5	L22 N26	L22-Q24 HydrophobicContact CB-CB 4.44Å; L22-Q24 PolarHBondContact O-N 2.73Å; Q24-N26 PolarHBondContact O-N 2.78Å
25	Q	46.1	Very low	59.7	Low	142 Å²	142	113.9 Å²	113.9	66%	0.664	58%	0.579	S	S	*	*			trans	-47.7	107	161.9	-75.1	-176.6	-17.7	0	0	103.1	I23 K27	I23-Q25 HydrophobicContact CG2-CG 4.04Å; I23-Q25 PolarHBondContact O-N 2.77Å; Q25-K27 PolarHBondContact O-N 2.64Å
26	N	47	Very low	62.6	Low	143 Å²	143	113.5 Å²	113.5	77%	0.765	57%	0.568	S	S	*	*			trans	-59.6	88.1	171.7	-95.3	-21.5	0	0	0	104.3	Q24 T28	Q24-N26 PolarHBondContact O-N 2.78Å; N26-T28 PolarHBondContact O-N 2.94Å
27	K	62.6	Low	65.5	Low	173 Å²	173	106.9 Å²	106.9	75%	0.752	53%	0.533	S	S	*	.			trans	-67.3	96.4	173.6	-80.2	-171.2	176.7	-175.4	0	103.5	Q25 Y29	Q25-K27 PolarHBondContact O-N 2.64Å; K27-Y29 PolarHBondContact O-N 2.84Å
28	T	72.7	Confident	68.2	Low	83 Å²	83	100 Å²	100	51%	0.509	50%	0.496	S	S	.	.			trans	-53.6	111	176.5	-50.7	0	0	0	0	107.2	N26 F30	N26-T28 PolarHBondContact O-N 2.94Å; T28-F30 HydrophobicContact CG2-CD1 4.33Å; T28-F30 HydrophobicContact CG2-CE1 3.61Å; T28-F30 HydrophobicContact CG2-CE2 3.86Å; T28-F30 HydrophobicContact CG2-CZ 3.34Å; T28-F30 WeakPolarHBondContact O-CD2 3.35Å
29	Y	85.4	Confident	71	Confident	155 Å²	155	94.7 Å²	94.7	61%	0.608	48%	0.476	S	S	*	.			trans	-80.1	128.1	176.4	178.9	-100.4	0	0	0	108.4	K27	K27-Y29 PolarHBondContact O-N 2.84Å
30	F	91.7	Very high	74	Confident	39 Å²	39	91.8 Å²	91.8	17%	0.171	46%	0.457	C	S	.	.			trans	-115.7	139.1	171.4	-55.8	-76	0	0	0	107.6	T28 Q36 L37 F40	T28-F30 HydrophobicContact CG2-CD1 4.33Å; T28-F30 HydrophobicContact CG2-CE1 3.61Å; T28-F30 HydrophobicContact CG2-CE2 3.86Å; T28-F30 HydrophobicContact CG2-CZ 3.34Å; T28-F30 WeakPolarHBondContact O-CD2 3.35Å; F30-Q36 HydrophobicContact CD1-CB 3.6Å; F30-Q36 HydrophobicContact CE1-CB 4.11Å; F30-L37 HydrophobicContact CB-CB 3.7Å; F30-L37 HydrophobicContact CB-CD1 4.1Å; F30-L37 HydrophobicContact CB-CG 4.43Å; F30-L37 HydrophobicContact CD2-CD1 3.99Å; F30-L37 HydrophobicContact CG-CB 4.33Å; F30-L37 HydrophobicContact CG-CD1 4.37Å; F30-F40 HydrophobicContact CD2-CB 4.32Å; F30-F40 HydrophobicContact CD2-CD1 4.29Å; F30-F40 HydrophobicContact CD2-CG 4.2Å; F30-F40 HydrophobicContact CE1-CB 4.41Å; F30-F40 HydrophobicContact CE2-CB 3.74Å; F30-F40 AromaticContact CE2-CD1 3.75Å; F30-F40 HydrophobicContact CE2-CD1 3.75Å; F30-F40 AromaticContact CE2-CD2 3.56Å; F30-F40 HydrophobicContact CE2-CD2 3.56Å; F30-F40 HydrophobicContact CE2-CE1 4.23Å; F30-F40 HydrophobicContact CE2-CE2 4.06Å; F30-F40 AromaticContact CE2-CG 3.38Å; F30-F40 HydrophobicContact CE2-CG 3.38Å; F30-F40 HydrophobicContact CE2-CZ 4.37Å; F30-F40 HydrophobicContact CZ-CB 3.78Å; F30-F40 AromaticContact CZ-CD2 3.61Å; F30-F40 HydrophobicContact CZ-CD2 3.61Å; F30-F40 HydrophobicContact CZ-CE2 4.33Å; F30-F40 AromaticContact CZ-CG 3.72Å; F30-F40 HydrophobicContact CZ-CG 3.72Å
31	H	95	Very high	77.1	Confident	100 Å²	100	86.2 Å²	86.2	46%	0.463	42%	0.419	S	S	.	.			trans	-58.1	133.6	170.6	178.3	-85.1	0	0	0	108.9	L33 S34	H31-L33 PolarHBondContact ND1-N 3.31Å; H31-L33 PolarHBondContact O-N 3.44Å; H31-L33 VanDerWaalsContact O-N 3.1Å; H31-S34 WeakPolarHBondContact O-CB 3.44Å; H31-S34 PolarHBondContact O-N 3.34Å; H31-S34 PolarHBondContact O-OG 3.1Å
32	P	94.9	Very high	80.1	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.7	-164.1	-21.4	32.5	0	0	0	114.8	L37 I60 E271 N275	P32-L37 WeakPolarHBondContact O-CD2 3.18Å; P32-I60 HydrophobicContact CB-CD1 3.4Å; P32-I60 VanDerWaalsContact CB-CD1 3.4Å; P32-I60 HydrophobicContact CB-CG1 4.43Å; P32-I60 HydrophobicContact CG-CD1 3.47Å; P32-I60 VanDerWaalsContact CG-CD1 3.47Å; P32-I60 HydrophobicContact CG-CG1 3.98Å; P32-E271 HydrophobicContact CB-CB 3.7Å; P32-E271 HydrophobicContact CB-CG 3.72Å; P32-E271 HydrophobicContact CG-CB 3.86Å; P32-E271 HydrophobicContact CG-CG 3.4Å; P32-E271 VanDerWaalsContact CG-CG 3.4Å; P32-N275 PolarHBondContact O-ND2 2.63Å
33	L	94.2	Very high	82.9	Confident	9 Å²	9	83.8 Å²	83.8	5%	0.047	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	23.9	175.3	-58.1	176.6	0	0	0	112.2	H31 R53 T54 F57 S58 I60 L274	H31-L33 PolarHBondContact ND1-N 3.31Å; H31-L33 PolarHBondContact O-N 3.44Å; H31-L33 VanDerWaalsContact O-N 3.1Å; L33-R53 PolarHBondContact O-NH1 3.21Å; L33-T54 HydrophobicContact CD2-CG2 3.86Å; L33-F57 HydrophobicContact CD1-CB 4.3Å; L33-F57 HydrophobicContact CD2-CB 4.41Å; L33-S58 VanDerWaalsContact CD1-C 3.44Å; L33-S58 VanDerWaalsContact CD1-O 3.29Å; L33-S58 WeakPolarHBondContact CD1-O 3.38Å; L33-I60 HydrophobicContact CD1-CD1 4.24Å; L33-I60 HydrophobicContact CG-CD1 3.93Å; L33-L274 HydrophobicContact CD2-CB 4.16Å; L33-L274 HydrophobicContact CD2-CD1 3.96Å
34	S	95.4	Very high	85.5	Confident	9 Å²	9	79.5 Å²	79.5	6%	0.063	38%	0.381	C	S	.	.	S	Bend	trans	-95.4	153.3	-175.4	68.9	0	0	0	0	114.3	H31 Q36 L37 I38	H31-S34 WeakPolarHBondContact O-CB 3.44Å; H31-S34 PolarHBondContact O-N 3.34Å; H31-S34 PolarHBondContact O-OG 3.1Å; S34-Q36 VanDerWaalsContact CB-OE1 3.25Å; S34-Q36 PolarHBondContact O-N 3.27Å; S34-L37 PolarHBondContact O-N 3.29Å; S34-L37 PolarHBondContact OG-N 2.97Å; S34-I38 PolarHBondContact O-N 3.01Å
35	D	96.5	Very high	88	Confident	89 Å²	89	78 Å²	78	48%	0.476	38%	0.384	S	S	.	.	H	α-helix	trans	-66.2	-24.7	171.4	-63.8	-33.8	0	0	0	112.2	I38 T39 R53	D35-I38 PolarHBondContact O-N 3.47Å; D35-T39 VanDerWaalsContact O-CB 3.26Å; D35-T39 WeakPolarHBondContact O-CB 3.41Å; D35-T39 PolarHBondContact O-N 3.18Å; D35-T39 PolarHBondContact O-OG1 3.41Å; D35-R53 IonicContact OD1-CZ 2.74Å; D35-R53 IonicContact OD1-NE 3.39Å; D35-R53 PolarHBondContact OD1-NE 2.91Å; D35-R53 IonicContact OD1-NH2 2.73Å; D35-R53 PolarHBondContact OD1-NH2 3.28Å; D35-R53 IonicContact OD2-NH2 2.98Å; D35-R53 PolarHBondContact OD2-NH2 2.7Å
36	Q	96.9	Very high	90.1	Very high	124 Å²	124	76.8 Å²	76.8	58%	0.579	38%	0.382	S	S	*	.	H	α-helix	trans	-64.2	-44.8	173.3	-65	103.8	-30.7	0	0	111.5	F30 S34 T39 F40	F30-Q36 HydrophobicContact CD1-CB 3.6Å; F30-Q36 HydrophobicContact CE1-CB 4.11Å; S34-Q36 VanDerWaalsContact CB-OE1 3.25Å; S34-Q36 PolarHBondContact O-N 3.27Å; Q36-T39 PolarHBondContact O-N 3.46Å; Q36-F40 VanDerWaalsContact O-CB 3.29Å; Q36-F40 WeakPolarHBondContact O-CB 3.49Å; Q36-F40 PolarHBondContact O-N 3.47Å
37	L	96.7	Very high	92.3	Very high	4 Å²	4	70.2 Å²	70.2	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-62.2	-46.4	175.9	-179.5	61.9	0	0	0	111	F30 P32 S34 T39 F40 I41 D272 T285	F30-L37 HydrophobicContact CB-CB 3.7Å; F30-L37 HydrophobicContact CB-CD1 4.1Å; F30-L37 HydrophobicContact CB-CG 4.43Å; F30-L37 HydrophobicContact CD2-CD1 3.99Å; F30-L37 HydrophobicContact CG-CB 4.33Å; F30-L37 HydrophobicContact CG-CD1 4.37Å; P32-L37 WeakPolarHBondContact O-CD2 3.18Å; S34-L37 PolarHBondContact O-N 3.29Å; S34-L37 PolarHBondContact OG-N 2.97Å; L37-T39 VanDerWaalsContact C-N 3.32Å; L37-T39 PolarHBondContact O-N 3.01Å; L37-F40 HydrophobicContact CD1-CD1 4.49Å; L37-F40 WeakPolarHBondContact O-CB 3.44Å; L37-F40 PolarHBondContact O-N 3.12Å; L37-I41 HydrophobicContact CD1-CG1 4.23Å; L37-I41 HydrophobicContact CG-CG1 4.47Å; L37-I41 WeakPolarHBondContact O-CG1 3.43Å; L37-I41 PolarHBondContact O-N 3.1Å; L37-D272 HydrophobicContact CD2-CB 4.45Å; L37-T285 HydrophobicContact CD1-CG2 3.32Å
38	I	97.7	Very high	93.7	Very high	16 Å²	16	63.4 Å²	63.4	8%	0.082	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-46.8	178.7	-67.7	160.9	0	0	0	110.6	S34 D35 F40 I41 N42 A51 R53 N275	S34-I38 PolarHBondContact O-N 3.01Å; D35-I38 PolarHBondContact O-N 3.47Å; I38-F40 VanDerWaalsContact C-N 3.35Å; I38-I41 PolarHBondContact O-N 2.87Å; I38-N42 WeakPolarHBondContact O-CB 3.26Å; I38-N42 PolarHBondContact O-N 2.99Å; I38-N42 PolarHBondContact O-ND2 3.25Å; I38-A51 HydrophobicContact CB-CB 4.33Å; I38-A51 HydrophobicContact CG1-CB 4.26Å; I38-A51 HydrophobicContact CG2-CB 4.14Å; I38-R53 HydrophobicContact CD1-CB 3.95Å; I38-N275 HydrophobicContact CG1-CB 4.2Å
39	T	97.9	Very high	94.8	Very high	65 Å²	65	59.9 Å²	59.9	40%	0.399	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-41.7	177.6	-60.7	0	0	0	0	111.4	D35 Q36 L37 N42 K43	D35-T39 VanDerWaalsContact O-CB 3.26Å; D35-T39 WeakPolarHBondContact O-CB 3.41Å; D35-T39 PolarHBondContact O-N 3.18Å; D35-T39 PolarHBondContact O-OG1 3.41Å; Q36-T39 PolarHBondContact O-N 3.46Å; L37-T39 VanDerWaalsContact C-N 3.32Å; L37-T39 PolarHBondContact O-N 3.01Å; T39-N42 PolarHBondContact O-N 3.04Å; T39-K43 HydrophobicContact CG2-CD 3.92Å; T39-K43 HydrophobicContact CG2-CG 4.47Å; T39-K43 WeakPolarHBondContact O-CB 3.29Å; T39-K43 WeakPolarHBondContact O-CG 3.39Å; T39-K43 PolarHBondContact O-N 2.85Å
40	F	97.1	Very high	95.4	Very high	67 Å²	67	59 Å²	59	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-60	-51.4	177.2	173.2	-98.1	0	0	0	111.3	F30 Q36 L37 I38 N42 K43 H44 I284 T285	F30-F40 HydrophobicContact CD2-CB 4.32Å; F30-F40 HydrophobicContact CD2-CD1 4.29Å; F30-F40 HydrophobicContact CD2-CG 4.2Å; F30-F40 HydrophobicContact CE1-CB 4.41Å; F30-F40 HydrophobicContact CE2-CB 3.74Å; F30-F40 AromaticContact CE2-CD1 3.75Å; F30-F40 HydrophobicContact CE2-CD1 3.75Å; F30-F40 AromaticContact CE2-CD2 3.56Å; F30-F40 HydrophobicContact CE2-CD2 3.56Å; F30-F40 HydrophobicContact CE2-CE1 4.23Å; F30-F40 HydrophobicContact CE2-CE2 4.06Å; F30-F40 AromaticContact CE2-CG 3.38Å; F30-F40 HydrophobicContact CE2-CG 3.38Å; F30-F40 HydrophobicContact CE2-CZ 4.37Å; F30-F40 HydrophobicContact CZ-CB 3.78Å; F30-F40 AromaticContact CZ-CD2 3.61Å; F30-F40 HydrophobicContact CZ-CD2 3.61Å; F30-F40 HydrophobicContact CZ-CE2 4.33Å; F30-F40 AromaticContact CZ-CG 3.72Å; F30-F40 HydrophobicContact CZ-CG 3.72Å; Q36-F40 VanDerWaalsContact O-CB 3.29Å; Q36-F40 WeakPolarHBondContact O-CB 3.49Å; Q36-F40 PolarHBondContact O-N 3.47Å; L37-F40 HydrophobicContact CD1-CD1 4.49Å; L37-F40 WeakPolarHBondContact O-CB 3.44Å; L37-F40 PolarHBondContact O-N 3.12Å; I38-F40 VanDerWaalsContact C-N 3.35Å; F40-N42 PolarHBondContact O-N 3.39Å; F40-K43 PolarHBondContact O-N 3.35Å; F40-H44 WeakPolarHBondContact O-CB 3.35Å; F40-H44 PolarHBondContact O-N 2.78Å; F40-I284 HydrophobicContact CE1-CG2 3.91Å; F40-T285 HydrophobicContact CD1-CG2 4.13Å; F40-T285 HydrophobicContact CE1-CG2 3.93Å
41	I	97.4	Very high	95.7	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-48.8	177.7	-65.4	-61.4	0	0	0	111	L37 I38 K43 H44 A47 W49 A51 D272 I284 T285	L37-I41 HydrophobicContact CD1-CG1 4.23Å; L37-I41 HydrophobicContact CG-CG1 4.47Å; L37-I41 WeakPolarHBondContact O-CG1 3.43Å; L37-I41 PolarHBondContact O-N 3.1Å; I38-I41 PolarHBondContact O-N 2.87Å; I41-K43 PolarHBondContact O-N 3.48Å; I41-H44 WeakPolarHBondContact O-CB 3.49Å; I41-H44 PolarHBondContact O-N 3.28Å; I41-A47 HydrophobicContact CG2-CB 4.29Å; I41-W49 HydrophobicContact CB-CH2 4.46Å; I41-W49 HydrophobicContact CD1-CH2 4.2Å; I41-W49 HydrophobicContact CD1-CZ2 3.86Å; I41-W49 HydrophobicContact CG1-CH2 4.03Å; I41-W49 HydrophobicContact CG1-CZ2 4.17Å; I41-W49 HydrophobicContact CG2-CD2 4.08Å; I41-W49 HydrophobicContact CG2-CE3 4.07Å; I41-W49 HydrophobicContact CG2-CH2 3.72Å; I41-W49 HydrophobicContact CG2-CZ2 3.74Å; I41-W49 HydrophobicContact CG2-CZ3 3.9Å; I41-A51 HydrophobicContact CB-CB 3.93Å; I41-A51 HydrophobicContact CG1-CB 4.44Å; I41-A51 HydrophobicContact CG2-CB 3.86Å; I41-D272 HydrophobicContact CD1-CB 4.34Å; I41-I284 HydrophobicContact CD1-CB 3.75Å; I41-I284 HydrophobicContact CD1-CG1 4.11Å; I41-I284 HydrophobicContact CD1-CG2 4.03Å; I41-T285 HydrophobicContact CD1-CG2 4.27Å
42	N	98	Very high	95.8	Very high	77 Å²	77	57.7 Å²	57.7	41%	0.412	30%	0.299	S	S	.	.	H	α-helix	trans	-67.8	-20.8	-176.5	-73.2	-26.9	0	0	0	113.8	I38 T39 F40 K50 A51	I38-N42 WeakPolarHBondContact O-CB 3.26Å; I38-N42 PolarHBondContact O-N 2.99Å; I38-N42 PolarHBondContact O-ND2 3.25Å; T39-N42 PolarHBondContact O-N 3.04Å; F40-N42 PolarHBondContact O-N 3.39Å; N42-K50 VanDerWaalsContact OD1-CA 3.3Å; N42-K50 WeakPolarHBondContact OD1-CA 3.38Å; N42-A51 PolarHBondContact ND2-O 3.44Å; N42-A51 PolarHBondContact OD1-N 3.04Å; N42-A51 PolarHBondContact OD1-O 3.03Å
43	K	97.1	Very high	95.7	Very high	167 Å²	167	62.8 Å²	62.8	73%	0.726	32%	0.318	S	S	*	.	H	α-helix	trans	-94.1	-9.3	172.8	-70.4	-178.5	178.5	178.9	0	113.2	T39 F40 I41	T39-K43 HydrophobicContact CG2-CD 3.92Å; T39-K43 HydrophobicContact CG2-CG 4.47Å; T39-K43 WeakPolarHBondContact O-CB 3.29Å; T39-K43 WeakPolarHBondContact O-CG 3.39Å; T39-K43 PolarHBondContact O-N 2.85Å; F40-K43 PolarHBondContact O-N 3.35Å; I41-K43 PolarHBondContact O-N 3.48Å
44	H	95.3	Very high	95.6	Very high	58 Å²	58	63 Å²	63	27%	0.269	32%	0.32	S	S	.	.			trans	-74.3	119.6	-176.2	-170.3	-81	0	0	0	110.2	F40 I41 N46 A47	F40-H44 WeakPolarHBondContact O-CB 3.35Å; F40-H44 PolarHBondContact O-N 2.78Å; I41-H44 WeakPolarHBondContact O-CB 3.49Å; I41-H44 PolarHBondContact O-N 3.28Å; H44-N46 PolarHBondContact ND1-N 3.27Å; H44-N46 PolarHBondContact O-N 2.98Å; H44-N46 VanDerWaalsContact O-N 3.1Å; H44-A47 HydrophobicContact CB-CB 4.23Å; H44-A47 PolarHBondContact ND1-N 2.67Å; H44-A47 WeakPolarHBondContact O-CB 3.48Å; H44-A47 PolarHBondContact O-N 2.73Å; H44-A47 VanDerWaalsContact O-N 3.12Å
45	P	92.9	Very high	95.3	Very high	117 Å²	117	66 Å²	66	76%	0.76	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.2	-169.3	23.7	-34.3	0	0	0	113.4
46	N	90.2	Very high	95	Very high	116 Å²	116	62 Å²	62	62%	0.62	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	17.2	-177.6	-59.9	-34.7	0	0	0	113.3	H44	H44-N46 PolarHBondContact ND1-N 3.27Å; H44-N46 PolarHBondContact O-N 2.98Å; H44-N46 VanDerWaalsContact O-N 3.1Å
47	A	92.5	Very high	94.8	Very high	6 Å²	6	56.4 Å²	56.4	5%	0.05	29%	0.287	C	S	.	.			trans	-60.1	-51.4	-179.4	0	0	0	0	0	111.2	I41 H44 W49	I41-A47 HydrophobicContact CG2-CB 4.29Å; H44-A47 HydrophobicContact CB-CB 4.23Å; H44-A47 PolarHBondContact ND1-N 2.67Å; H44-A47 WeakPolarHBondContact O-CB 3.48Å; H44-A47 PolarHBondContact O-N 2.73Å; H44-A47 VanDerWaalsContact O-N 3.12Å; A47-W49 PolarHBondContact O-N 3.29Å
48	G	91.5	Very high	94.3	Very high	30 Å²	30	58.5 Å²	58.5	31%	0.309	30%	0.302	S	S	.	.			trans	73.1	-4.7	-173.9	0	0	0	0	0	114.3	V280	G48-V280 PolarHBondContact O-N 2.8Å
49	W	97.2	Very high	94	Very high	9 Å²	9	60.4 Å²	60.4	3%	0.034	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	165.5	176.5	62.3	-85	0	0	0	111.1	I41 A47 A51 D272 Y276 S278 Y281 K282	I41-W49 HydrophobicContact CB-CH2 4.46Å; I41-W49 HydrophobicContact CD1-CH2 4.2Å; I41-W49 HydrophobicContact CD1-CZ2 3.86Å; I41-W49 HydrophobicContact CG1-CH2 4.03Å; I41-W49 HydrophobicContact CG1-CZ2 4.17Å; I41-W49 HydrophobicContact CG2-CD2 4.08Å; I41-W49 HydrophobicContact CG2-CE3 4.07Å; I41-W49 HydrophobicContact CG2-CH2 3.72Å; I41-W49 HydrophobicContact CG2-CZ2 3.74Å; I41-W49 HydrophobicContact CG2-CZ3 3.9Å; A47-W49 PolarHBondContact O-N 3.29Å; W49-A51 HydrophobicContact CH2-CB 4.38Å; W49-A51 HydrophobicContact CZ3-CB 3.81Å; W49-D272 HydrophobicContact CH2-CB 4.11Å; W49-D272 WeakPolarHBondContact CH2-O 3.48Å; W49-D272 HydrophobicContact CZ2-CB 4.23Å; W49-Y276 HydrophobicContact CB-CE2 4.32Å; W49-Y276 HydrophobicContact CE3-CD2 4.02Å; W49-S278 CarbonylContact C-O 3.51Å; W49-S278 VanDerWaalsContact CA-O 3.26Å; W49-S278 WeakPolarHBondContact CA-O 3.17Å; W49-S278 VanDerWaalsContact CB-O 3.24Å; W49-S278 WeakPolarHBondContact CB-O 3.21Å; W49-Y281 HydrophobicContact CD2-CD2 4.04Å; W49-Y281 AromaticContact CE2-CD2 3.71Å; W49-Y281 HydrophobicContact CE3-CD2 4.44Å; W49-Y281 HydrophobicContact CG-CD2 4.49Å; W49-Y281 HydrophobicContact CH2-CD2 4.29Å; W49-Y281 HydrophobicContact CH2-CE2 4.24Å; W49-Y281 AromaticContact CZ2-CD2 3.86Å; W49-Y281 HydrophobicContact CZ2-CD2 3.86Å; W49-Y281 AromaticContact CZ2-CE2 3.8Å; W49-Y281 HydrophobicContact CZ2-CE2 3.8Å; W49-Y281 AromaticContact NE1-CD2 3.94Å; W49-K282 PolarHBondContact NE1-O 2.82Å
50	K	97.9	Very high	93.8	Very high	135 Å²	135	58.8 Å²	58.8	59%	0.587	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.9	177.7	-67	-177	177.6	-179.1	0	110.2	N42 K277 S278	N42-K50 VanDerWaalsContact OD1-CA 3.3Å; N42-K50 WeakPolarHBondContact OD1-CA 3.38Å; K50-K277 WeakPolarHBondContact O-CB 3.49Å; K50-K277 PolarHBondContact O-N 3.05Å; K50-S278 PolarHBondContact N-O 3.43Å; K50-S278 PolarHBondContact O-N 2.87Å
51	A	98.1	Very high	93.5	Very high	6 Å²	6	61.6 Å²	61.6	5%	0.05	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	144.5	170.3	0	0	0	0	0	110.6	I38 I41 N42 W49 N275	I38-A51 HydrophobicContact CB-CB 4.33Å; I38-A51 HydrophobicContact CG1-CB 4.26Å; I38-A51 HydrophobicContact CG2-CB 4.14Å; I41-A51 HydrophobicContact CB-CB 3.93Å; I41-A51 HydrophobicContact CG1-CB 4.44Å; I41-A51 HydrophobicContact CG2-CB 3.86Å; N42-A51 PolarHBondContact ND2-O 3.44Å; N42-A51 PolarHBondContact OD1-N 3.04Å; N42-A51 PolarHBondContact OD1-O 3.03Å; W49-A51 HydrophobicContact CH2-CB 4.38Å; W49-A51 HydrophobicContact CZ3-CB 3.81Å; A51-N275 CarbonylContact C-O 3.6Å; A51-N275 WeakPolarHBondContact CA-O 3.32Å; A51-N275 HydrophobicContact CB-CB 4.14Å
52	Q	96.6	Very high	93.2	Very high	106 Å²	106	61.7 Å²	61.7	50%	0.495	32%	0.318	S	S	.	.			trans	-141.6	149.6	168.8	-170.4	-178.2	-61.7	0	0	108.4	T54 N275 K277	Q52-T54 PolarHBondContact O-N 3.39Å; Q52-N275 PolarHBondContact N-O 2.81Å; Q52-N275 WeakPolarHBondContact O-CA 3.49Å; Q52-N275 WeakPolarHBondContact O-CB 3.43Å; Q52-N275 VanDerWaalsContact O-O 3.08Å; Q52-K277 HydrophobicContact CB-CB 3.66Å; Q52-K277 HydrophobicContact CB-CD 4.19Å; Q52-K277 HydrophobicContact CB-CG 3.85Å
53	R	93.6	Very high	93	Very high	107 Å²	107	58 Å²	58	40%	0.404	30%	0.298	S	S	.	.			trans	-50.3	119.3	173.6	-176.9	67.1	70	132.1	5.9	109.6	L33 D35 I38	L33-R53 PolarHBondContact O-NH1 3.21Å; D35-R53 IonicContact OD1-CZ 2.74Å; D35-R53 IonicContact OD1-NE 3.39Å; D35-R53 PolarHBondContact OD1-NE 2.91Å; D35-R53 IonicContact OD1-NH2 2.73Å; D35-R53 PolarHBondContact OD1-NH2 3.28Å; D35-R53 IonicContact OD2-NH2 2.98Å; D35-R53 PolarHBondContact OD2-NH2 2.7Å; I38-R53 HydrophobicContact CD1-CB 3.95Å
54	T	90.7	Very high	92.9	Very high	14 Å²	14	54.6 Å²	54.6	9%	0.086	28%	0.283	C	S	.	.			trans	-78.2	138.2	172.9	-177.4	0	0	0	0	109.9	L33 Q52 R56 F57 L274	L33-T54 HydrophobicContact CD2-CG2 3.86Å; Q52-T54 PolarHBondContact O-N 3.39Å; T54-R56 WeakPolarHBondContact OG1-CB 3.21Å; T54-R56 PolarHBondContact OG1-N 3.23Å; T54-R56 VanDerWaalsContact OG1-N 3.08Å; T54-F57 HydrophobicContact CG2-CB 4.49Å; T54-F57 HydrophobicContact CG2-CD2 4.29Å; T54-L274 VanDerWaalsContact CB-O 3.27Å; T54-L274 WeakPolarHBondContact CB-O 3.34Å; T54-L274 WeakPolarHBondContact CG2-O 3.29Å
55	N	88.6	Confident	92.8	Very high	73 Å²	73	52.8 Å²	52.8	39%	0.39	28%	0.277	S	S	.	.	S	Bend	trans	-94.3	-0	168.6	-69.2	-21.6	0	0	0	111.5	N200 S203	N55-N200 VanDerWaalsContact O-CB 3.32Å; N55-N200 WeakPolarHBondContact O-CB 3.3Å; N55-N200 VanDerWaalsContact O-CG 3.29Å; N55-N200 PolarHBondContact O-OD1 2.76Å; N55-S203 VanDerWaalsContact CA-OG 3.3Å; N55-S203 WeakPolarHBondContact CA-OG 3.27Å; N55-S203 WeakPolarHBondContact CB-OG 3.43Å; N55-S203 WeakPolarHBondContact O-CB 3.2Å; N55-S203 PolarHBondContact O-OG 2.92Å
56	R	91.3	Very high	92.8	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.011	24%	0.241	C	C	.	.	S	Bend	trans	-77.7	-32.2	-177	177.1	59.7	-174.5	-163.9	-11.2	112.5	T54 D114 S116 C199 H201 W315 N316	T54-R56 WeakPolarHBondContact OG1-CB 3.21Å; T54-R56 PolarHBondContact OG1-N 3.23Å; T54-R56 VanDerWaalsContact OG1-N 3.08Å; R56-D114 IonicContact CZ-OD1 3.53Å; R56-D114 VanDerWaalsContact CZ-OD1 3.25Å; R56-D114 IonicContact CZ-OD2 3.77Å; R56-D114 IonicContact NH1-OD1 3.42Å; R56-D114 PolarHBondContact NH1-OD1 2.97Å; R56-D114 IonicContact NH1-OD2 2.72Å; R56-D114 PolarHBondContact NH1-OD2 2.96Å; R56-D114 IonicContact NH2-OD1 3.36Å; R56-D114 PolarHBondContact NH2-OD1 3.4Å; R56-S116 PolarHBondContact NH2-O 2.73Å; R56-C199 PolarHBondContact NH1-O 3.48Å; R56-H201 WeakPolarHBondContact O-CB 3.45Å; R56-H201 PolarHBondContact O-N 2.86Å; R56-W315 HydrophobicContact CG-CB 4.16Å; R56-W315 HydrophobicContact CG-CG 4.48Å; R56-N316 PolarHBondContact NH1-ND2 3.44Å
57	F	92	Very high	93.1	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.031	22%	0.217	C	C	.	.			trans	-128.1	134.6	-172	-55.2	-62.9	0	0	0	111.5	L33 T54 D62 A63 M66 H201 L274 W315	L33-F57 HydrophobicContact CD1-CB 4.3Å; L33-F57 HydrophobicContact CD2-CB 4.41Å; T54-F57 HydrophobicContact CG2-CB 4.49Å; T54-F57 HydrophobicContact CG2-CD2 4.29Å; F57-D62 HydrophobicContact CD1-CB 4.23Å; F57-A63 HydrophobicContact CB-CB 4.42Å; F57-A63 HydrophobicContact CD1-CB 3.89Å; F57-A63 HydrophobicContact CD2-CB 4.2Å; F57-A63 HydrophobicContact CE1-CB 4.17Å; F57-A63 HydrophobicContact CE2-CB 4.45Å; F57-A63 HydrophobicContact CG-CB 3.9Å; F57-A63 HydrophobicContact CZ-CB 4.44Å; F57-M66 HydrophobicContact CE1-CB 4.34Å; F57-M66 HydrophobicContact CE1-CG 3.6Å; F57-M66 HydrophobicContact CZ-CG 4.16Å; F57-H201 HydrophobicContact CD1-CB 4.47Å; F57-L274 HydrophobicContact CD2-CB 4.43Å; F57-L274 HydrophobicContact CD2-CD2 4.14Å; F57-L274 HydrophobicContact CE2-CD2 3.98Å; F57-W315 HydrophobicContact CE2-CD2 4.14Å; F57-W315 AromaticContact CE2-CE3 3.62Å; F57-W315 HydrophobicContact CE2-CE3 3.62Å; F57-W315 HydrophobicContact CE2-CH2 4.1Å; F57-W315 AromaticContact CE2-CZ3 3.61Å; F57-W315 HydrophobicContact CE2-CZ3 3.61Å; F57-W315 AromaticContact CZ-CD2 3.73Å; F57-W315 HydrophobicContact CZ-CD2 3.73Å; F57-W315 AromaticContact CZ-CE2 3.87Å; F57-W315 AromaticContact CZ-CE3 3.72Å; F57-W315 HydrophobicContact CZ-CE3 3.72Å; F57-W315 HydrophobicContact CZ-CG 4.41Å; F57-W315 HydrophobicContact CZ-CH2 4.09Å; F57-W315 HydrophobicContact CZ-CZ2 4.08Å; F57-W315 AromaticContact CZ-CZ3 3.91Å; F57-W315 HydrophobicContact CZ-CZ3 3.91Å
58	S	87.4	Confident	93.3	Very high	48 Å²	48	42.6 Å²	42.6	34%	0.336	22%	0.216	S	C	.	.	S	Bend	trans	-98.3	-32.2	172.1	77	0	0	0	0	112.1	L33 D62 H201 H202	L33-S58 VanDerWaalsContact CD1-C 3.44Å; L33-S58 VanDerWaalsContact CD1-O 3.29Å; L33-S58 WeakPolarHBondContact CD1-O 3.38Å; S58-D62 PolarHBondContact N-OD2 3.48Å; S58-D62 VanDerWaalsContact N-OD2 3.11Å; S58-D62 PolarHBondContact OG-OD2 3.13Å; S58-H201 VanDerWaalsContact CB-O 3.31Å; S58-H201 WeakPolarHBondContact CB-O 3.36Å; S58-H201 PolarHBondContact N-O 2.88Å; S58-H201 VanDerWaalsContact N-O 3.09Å; S58-H202 WeakPolarHBondContact OG-CB 3.29Å
59	T	91.4	Very high	93.7	Very high	56 Å²	56	41.9 Å²	41.9	34%	0.344	21%	0.205	S	C	.	.	S	Bend	trans	-130.5	164.5	178.2	85.8	0	0	0	0	112.6	H61 D62 A63	T59-H61 PolarHBondContact O-N 3.29Å; T59-H61 WeakPolarHBondContact OG1-CB 3.32Å; T59-H61 PolarHBondContact OG1-N 3.21Å; T59-H61 VanDerWaalsContact OG1-N 3.13Å; T59-D62 PolarHBondContact N-OD2 3.49Å; T59-D62 WeakPolarHBondContact O-CB 3.46Å; T59-D62 PolarHBondContact O-N 2.79Å; T59-D62 PolarHBondContact OG1-N 3.1Å; T59-D62 VanDerWaalsContact OG1-N 3.1Å; T59-D62 PolarHBondContact OG1-OD1 2.83Å; T59-A63 PolarHBondContact O-N 2.89Å
60	I	92.8	Very high	93.7	Very high	32 Å²	32	44.4 Å²	44.4	16%	0.164	22%	0.219	C	C	.	.	H	α-helix	trans	-68.8	-28.2	172.1	-53	-50.2	0	0	0	111.5	P32 L33 A63 K64 L274 L289	P32-I60 HydrophobicContact CB-CD1 3.4Å; P32-I60 VanDerWaalsContact CB-CD1 3.4Å; P32-I60 HydrophobicContact CB-CG1 4.43Å; P32-I60 HydrophobicContact CG-CD1 3.47Å; P32-I60 VanDerWaalsContact CG-CD1 3.47Å; P32-I60 HydrophobicContact CG-CG1 3.98Å; L33-I60 HydrophobicContact CD1-CD1 4.24Å; L33-I60 HydrophobicContact CG-CD1 3.93Å; I60-A63 PolarHBondContact O-N 2.83Å; I60-K64 HydrophobicContact CG2-CD 4.36Å; I60-K64 HydrophobicContact CG2-CG 4.37Å; I60-K64 WeakPolarHBondContact O-CB 3.4Å; I60-K64 WeakPolarHBondContact O-CG 3.24Å; I60-K64 PolarHBondContact O-N 3.05Å; I60-L274 HydrophobicContact CD1-CD1 4.11Å; I60-L289 HydrophobicContact CG2-CD2 3.63Å
61	H	91.5	Very high	93.7	Very high	125 Å²	125	40.2 Å²	40.2	58%	0.579	20%	0.201	S	C	*	.	H	α-helix	trans	-65	-47.4	177.1	-162.5	33.4	0	0	0	109.7	T59 A63 K64 S65 Y214	T59-H61 PolarHBondContact O-N 3.29Å; T59-H61 WeakPolarHBondContact OG1-CB 3.32Å; T59-H61 PolarHBondContact OG1-N 3.21Å; T59-H61 VanDerWaalsContact OG1-N 3.13Å; H61-A63 VanDerWaalsContact C-N 3.32Å; H61-A63 PolarHBondContact O-N 2.97Å; H61-K64 PolarHBondContact O-N 2.99Å; H61-S65 PolarHBondContact O-N 3.04Å; H61-Y214 HydrophobicContact CB-CE2 4.4Å; H61-Y214 WeakPolarHBondContact CB-OH 3.47Å; H61-Y214 AromaticContact CD2-CE1 3.68Å; H61-Y214 AromaticContact CD2-CE2 3.73Å; H61-Y214 AromaticContact CD2-CZ 3.11Å; H61-Y214 PolarHBondContact CD2-OH 3.22Å; H61-Y214 PolarHBondContact CE1-OH 2.88Å; H61-Y214 VanDerWaalsContact CE1-OH 3.29Å; H61-Y214 AromaticContact CG-CZ 3.68Å; H61-Y214 PolarHBondContact ND1-OH 3.13Å; H61-Y214 AromaticContact NE2-CE1 3.51Å; H61-Y214 AromaticContact NE2-CZ 3.41Å; H61-Y214 PolarHBondContact NE2-OH 3.42Å; H61-Y214 PolarHBondContact O-OH 3Å
62	D	90.2	Very high	93.6	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-51.9	-51.8	173.9	-50.6	0.2	0	0	0	110.4	F57 S58 T59 K64 S65 M66 H201 Y214	F57-D62 HydrophobicContact CD1-CB 4.23Å; S58-D62 PolarHBondContact N-OD2 3.48Å; S58-D62 VanDerWaalsContact N-OD2 3.11Å; S58-D62 PolarHBondContact OG-OD2 3.13Å; T59-D62 PolarHBondContact N-OD2 3.49Å; T59-D62 WeakPolarHBondContact O-CB 3.46Å; T59-D62 PolarHBondContact O-N 2.79Å; T59-D62 PolarHBondContact OG1-N 3.1Å; T59-D62 VanDerWaalsContact OG1-N 3.1Å; T59-D62 PolarHBondContact OG1-OD1 2.83Å; D62-K64 PolarHBondContact O-N 2.66Å; D62-S65 PolarHBondContact O-N 3.28Å; D62-S65 PolarHBondContact O-OG 2.94Å; D62-M66 PolarHBondContact O-N 3.08Å; D62-H201 HydrophobicContact CB-CB 3.73Å; D62-H201 WeakPolarHBondContact OD2-CB 3.48Å; D62-Y214 HydrophobicContact CB-CE2 4.5Å; D62-Y214 PolarHBondContact N-OH 3.46Å; D62-Y214 VanDerWaalsContact OD1-CE2 3.23Å; D62-Y214 WeakPolarHBondContact OD1-CE2 3.02Å
63	A	93.6	Very high	93.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-46.5	-179	0	0	0	0	0	112	F57 T59 I60 H61 S65 M66 M67 L274	F57-A63 HydrophobicContact CB-CB 4.42Å; F57-A63 HydrophobicContact CD1-CB 3.89Å; F57-A63 HydrophobicContact CD2-CB 4.2Å; F57-A63 HydrophobicContact CE1-CB 4.17Å; F57-A63 HydrophobicContact CE2-CB 4.45Å; F57-A63 HydrophobicContact CG-CB 3.9Å; F57-A63 HydrophobicContact CZ-CB 4.44Å; T59-A63 PolarHBondContact O-N 2.89Å; I60-A63 PolarHBondContact O-N 2.83Å; H61-A63 VanDerWaalsContact C-N 3.32Å; H61-A63 PolarHBondContact O-N 2.97Å; A63-S65 VanDerWaalsContact C-N 3.26Å; A63-S65 PolarHBondContact O-N 3.18Å; A63-M66 WeakPolarHBondContact O-CB 3.47Å; A63-M66 PolarHBondContact O-N 3.29Å; A63-M66 VanDerWaalsContact O-N 3.09Å; A63-M67 WeakPolarHBondContact O-CE 3.29Å; A63-L274 HydrophobicContact CB-CD1 3.63Å; A63-L274 HydrophobicContact CB-CD2 3.78Å; A63-L274 HydrophobicContact CB-CG 4.38Å
64	K	95	Very high	93.4	Very high	95 Å²	95	38.8 Å²	38.8	41%	0.413	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-35.8	177.6	-76.5	-176.1	174.6	-173.6	0	112.4	I60 H61 D62 M66 M67 L289	I60-K64 HydrophobicContact CG2-CD 4.36Å; I60-K64 HydrophobicContact CG2-CG 4.37Å; I60-K64 WeakPolarHBondContact O-CB 3.4Å; I60-K64 WeakPolarHBondContact O-CG 3.24Å; I60-K64 PolarHBondContact O-N 3.05Å; H61-K64 PolarHBondContact O-N 2.99Å; D62-K64 PolarHBondContact O-N 2.66Å; K64-M66 PolarHBondContact O-N 2.94Å; K64-M67 WeakPolarHBondContact O-CB 3.17Å; K64-M67 PolarHBondContact O-N 3.42Å; K64-L289 HydrophobicContact CD-CD2 4.43Å; K64-L289 VanDerWaalsContact CE-CD2 3.46Å; K64-L289 HydrophobicContact CG-CB 4.27Å; K64-L289 HydrophobicContact CG-CD2 4.1Å
65	S	93.4	Very high	93.6	Very high	20 Å²	20	43.1 Å²	43.1	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-65.8	-19.9	178.9	75.9	0	0	0	0	113.3	H61 D62 A63 M67 G119	H61-S65 PolarHBondContact O-N 3.04Å; D62-S65 PolarHBondContact O-N 3.28Å; D62-S65 PolarHBondContact O-OG 2.94Å; A63-S65 VanDerWaalsContact C-N 3.26Å; A63-S65 PolarHBondContact O-N 3.18Å; S65-M67 VanDerWaalsContact C-N 3.34Å; S65-G119 VanDerWaalsContact O-CA 3.28Å; S65-G119 WeakPolarHBondContact O-CA 3.15Å; S65-G119 PolarHBondContact O-N 3.27Å
66	M	94.3	Very high	93.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.6	174.6	-62.5	-53.2	92.3	0	0	113.9	F57 D62 A63 K64 G68 Q115 H201	F57-M66 HydrophobicContact CE1-CB 4.34Å; F57-M66 HydrophobicContact CE1-CG 3.6Å; F57-M66 HydrophobicContact CZ-CG 4.16Å; D62-M66 PolarHBondContact O-N 3.08Å; A63-M66 WeakPolarHBondContact O-CB 3.47Å; A63-M66 PolarHBondContact O-N 3.29Å; A63-M66 VanDerWaalsContact O-N 3.09Å; K64-M66 PolarHBondContact O-N 2.94Å; M66-G68 PolarHBondContact O-N 3.01Å; M66-Q115 PolarHBondContact O-NE2 3.26Å; M66-Q115 HydrophobicContact SD-CG 4.07Å; M66-H201 WeakPolarHBondContact CE-CE1 3.35Å; M66-H201 PolarHBondContact SD-NE2 3.2Å
67	M	95.9	Very high	94.1	Very high	23 Å²	23	44.7 Å²	44.7	11%	0.113	24%	0.238	C	C	.	.			trans	-87.6	90.9	-178.3	-50	-54.8	150.6	0	0	109.2	A63 K64 S65 V269 L274 G291 H292 W315	A63-M67 WeakPolarHBondContact O-CE 3.29Å; K64-M67 WeakPolarHBondContact O-CB 3.17Å; K64-M67 PolarHBondContact O-N 3.42Å; S65-M67 VanDerWaalsContact C-N 3.34Å; M67-V269 HydrophobicContact CE-CB 4.37Å; M67-V269 HydrophobicContact CE-CG1 3.92Å; M67-V269 HydrophobicContact CE-CG2 4.4Å; M67-V269 HydrophobicContact SD-CB 3.8Å; M67-V269 HydrophobicContact SD-CG1 4.03Å; M67-V269 HydrophobicContact SD-CG2 3.62Å; M67-L274 HydrophobicContact CE-CD2 4.34Å; M67-G291 CarbonylContact C-O 3.45Å; M67-G291 VanDerWaalsContact CA-O 3.29Å; M67-G291 WeakPolarHBondContact CA-O 3.5Å; M67-G291 WeakPolarHBondContact CB-O 3.49Å; M67-H292 HydrophobicContact SD-CB 3.75Å; M67-W315 HydrophobicContact CE-CH2 3.54Å; M67-W315 HydrophobicContact CE-CZ2 3.31Å; M67-W315 HydrophobicContact SD-CH2 4.5Å; M67-W315 HydrophobicContact SD-CZ2 4.03Å
68	G	96.9	Very high	94.2	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.021	26%	0.263	C	S	.	.			trans	-100	5.1	-173.1	0	0	0	0	0	115.5	M66 I70 G119 C121 G164 G165 G291	M66-G68 PolarHBondContact O-N 3.01Å; G68-I70 PolarHBondContact O-N 2.99Å; G68-G119 WeakPolarHBondContact CA-O 3.47Å; G68-C121 VanDerWaalsContact CA-SG 3.51Å; G68-C121 PolarHBondContact N-SG 3.45Å; G68-G164 CarbonylContact O-C 3.56Å; G68-G164 VanDerWaalsContact O-C 3.3Å; G68-G164 WeakPolarHBondContact O-CA 3.22Å; G68-G165 PolarHBondContact O-N 2.82Å; G68-G291 PolarHBondContact N-O 3.22Å
69	V	98.4	Very high	94.7	Very high	14 Å²	14	54.7 Å²	54.7	9%	0.085	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-83.6	125.1	-176.2	177.7	0	0	0	0	111.7	F71 P167 G291 A293	V69-F71 HydrophobicContact CB-CE1 4.35Å; V69-F71 HydrophobicContact CB-CE2 4.45Å; V69-F71 HydrophobicContact CB-CZ 4.19Å; V69-F71 HydrophobicContact CG1-CD1 3.54Å; V69-F71 HydrophobicContact CG1-CD2 4.16Å; V69-F71 HydrophobicContact CG1-CE1 3.46Å; V69-F71 VanDerWaalsContact CG1-CE1 3.46Å; V69-F71 HydrophobicContact CG1-CE2 4.09Å; V69-F71 HydrophobicContact CG1-CG 3.91Å; V69-F71 HydrophobicContact CG1-CZ 3.75Å; V69-P167 HydrophobicContact CG1-CG 3.91Å; V69-P167 HydrophobicContact CG2-CG 4.15Å; V69-G291 PolarHBondContact N-O 2.62Å; V69-A293 HydrophobicContact CG2-CB 3.39Å
70	I	98	Very high	94.9	Very high	63 Å²	63	56 Å²	56	32%	0.323	29%	0.287	S	S	.	.			trans	-97.1	107.3	162.4	-58	173.9	0	0	0	106.8	G68 F160 G165 I166	G68-I70 PolarHBondContact O-N 2.99Å; I70-F160 HydrophobicContact CD1-CD2 3.82Å; I70-F160 HydrophobicContact CD1-CE2 3.99Å; I70-G165 PolarHBondContact N-O 3.42Å; I70-I166 HydrophobicContact CB-CG1 3.83Å; I70-I166 HydrophobicContact CG2-CD1 4.44Å; I70-I166 HydrophobicContact CG2-CG1 3.9Å
71	F	97	Very high	95.2	Very high	47 Å²	47	54.8 Å²	54.8	21%	0.206	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-74.6	129.7	-178.8	-66.4	-72	0	0	0	111.5	V69 Y268 M339	V69-F71 HydrophobicContact CB-CE1 4.35Å; V69-F71 HydrophobicContact CB-CE2 4.45Å; V69-F71 HydrophobicContact CB-CZ 4.19Å; V69-F71 HydrophobicContact CG1-CD1 3.54Å; V69-F71 HydrophobicContact CG1-CD2 4.16Å; V69-F71 HydrophobicContact CG1-CE1 3.46Å; V69-F71 VanDerWaalsContact CG1-CE1 3.46Å; V69-F71 HydrophobicContact CG1-CE2 4.09Å; V69-F71 HydrophobicContact CG1-CG 3.91Å; V69-F71 HydrophobicContact CG1-CZ 3.75Å; F71-Y268 HydrophobicContact CD2-CD1 4.28Å; F71-Y268 AromaticContact CD2-CE1 3.68Å; F71-Y268 HydrophobicContact CD2-CE1 3.68Å; F71-Y268 AromaticContact CE2-CD1 3.54Å; F71-Y268 HydrophobicContact CE2-CD1 3.54Å; F71-Y268 AromaticContact CE2-CE1 3.39Å; F71-Y268 HydrophobicContact CE2-CE1 3.39Å; F71-Y268 HydrophobicContact CG-CE1 4.44Å; F71-Y268 AromaticContact CZ-CD1 3.96Å; F71-Y268 HydrophobicContact CZ-CD1 3.96Å; F71-Y268 AromaticContact CZ-CE1 3.95Å; F71-Y268 HydrophobicContact CZ-CE1 3.95Å; F71-M339 HydrophobicContact CB-CE 3.98Å; F71-M339 HydrophobicContact CD1-CB 4.36Å; F71-M339 HydrophobicContact CD1-CE 3.72Å; F71-M339 HydrophobicContact CD1-CG 3.67Å; F71-M339 HydrophobicContact CD1-SD 3.62Å; F71-M339 HydrophobicContact CE1-CB 4.17Å; F71-M339 HydrophobicContact CE1-CG 3.72Å; F71-M339 HydrophobicContact CE1-SD 4.31Å; F71-M339 HydrophobicContact CG-CE 4.06Å; F71-M339 HydrophobicContact CG-SD 4.45Å
72	E	96.3	Very high	95.5	Very high	7 Å²	7	52.8 Å²	52.8	3%	0.033	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-71	137.9	163	-68.3	171.1	130.2	0	0	109.4	Q76 R77 L80 R81 I166	E72-Q76 HydrophobicContact CB-CB 3.95Å; E72-Q76 HydrophobicContact CG-CB 4.31Å; E72-R77 HydrophobicContact CB-CG 3.46Å; E72-R77 VanDerWaalsContact CB-CG 3.46Å; E72-R77 HydrophobicContact CG-CG 4.46Å; E72-R77 IonicContact OE2-NH1 3.16Å; E72-R77 PolarHBondContact OE2-NH1 3.09Å; E72-L80 VanDerWaalsContact OE1-CD1 3.27Å; E72-L80 WeakPolarHBondContact OE1-CD1 3.26Å; E72-R81 IonicContact OE1-CZ 3.03Å; E72-R81 IonicContact OE1-NH1 3.25Å; E72-R81 PolarHBondContact OE1-NH1 3.15Å; E72-R81 IonicContact OE1-NH2 3.78Å; E72-R81 PolarHBondContact OE1-NH2 3.11Å; E72-R81 IonicContact OE2-CZ 2.8Å; E72-R81 IonicContact OE2-NH1 2.75Å; E72-R81 PolarHBondContact OE2-NH1 3.07Å; E72-R81 IonicContact OE2-NH2 2.67Å; E72-I166 VanDerWaalsContact CD-CG2 3.48Å; E72-I166 HydrophobicContact CG-CG2 3.43Å; E72-I166 VanDerWaalsContact CG-CG2 3.43Å
73	N	94.6	Very high	95.8	Very high	84 Å²	84	55.8 Å²	55.8	45%	0.449	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-70.6	164.3	167.1	66.1	54.4	0	0	0	110.8	N75 Q76 R77	N73-N75 VanDerWaalsContact C-N 3.25Å; N73-N75 PolarHBondContact O-N 3.46Å; N73-N75 WeakPolarHBondContact OD1-CB 3.41Å; N73-N75 PolarHBondContact OD1-N 3.21Å; N73-Q76 PolarHBondContact ND2-OE1 3.12Å; N73-Q76 VanDerWaalsContact ND2-OE1 3.16Å; N73-Q76 WeakPolarHBondContact O-CB 3.31Å; N73-Q76 PolarHBondContact O-N 3.08Å; N73-Q76 VanDerWaalsContact O-N 3.07Å; N73-Q76 WeakPolarHBondContact OD1-CG 3.38Å; N73-Q76 PolarHBondContact OD1-N 3.05Å; N73-R77 WeakPolarHBondContact O-CG 3.43Å; N73-R77 PolarHBondContact O-N 3.31Å
74	S	91.7	Very high	96.1	Very high	98 Å²	98	58.5 Å²	58.5	69%	0.685	31%	0.311	S	S	*	.	H	α-helix	trans	-53.6	-40.5	-177.1	53.9	0	0	0	0	113.2	R77 T78	S74-R77 PolarHBondContact O-N 3.49Å; S74-T78 WeakPolarHBondContact O-CG2 3.27Å; S74-T78 PolarHBondContact O-N 2.86Å; S74-T78 PolarHBondContact O-OG1 3.16Å; S74-T78 VanDerWaalsContact O-OG1 3.13Å
75	N	94.7	Very high	96.2	Very high	105 Å²	105	55.4 Å²	55.4	56%	0.561	30%	0.302	S	S	*	.	H	α-helix	trans	-67.8	-40.2	178.5	-178	51.3	0	0	0	112.7	N73 T78 K79	N73-N75 VanDerWaalsContact C-N 3.25Å; N73-N75 PolarHBondContact O-N 3.46Å; N73-N75 WeakPolarHBondContact OD1-CB 3.41Å; N73-N75 PolarHBondContact OD1-N 3.21Å; N75-T78 PolarHBondContact O-OG1 2.83Å; N75-K79 WeakPolarHBondContact O-CB 3.36Å; N75-K79 PolarHBondContact O-N 3Å
76	Q	95.3	Very high	96.3	Very high	86 Å²	86	55.9 Å²	55.9	40%	0.402	30%	0.302	S	S	.	.	H	α-helix	trans	-61.5	-46.9	173.3	-74.7	170.3	-43.7	0	0	110.5	E72 N73 T78 K79 L80	E72-Q76 HydrophobicContact CB-CB 3.95Å; E72-Q76 HydrophobicContact CG-CB 4.31Å; N73-Q76 PolarHBondContact ND2-OE1 3.12Å; N73-Q76 VanDerWaalsContact ND2-OE1 3.16Å; N73-Q76 WeakPolarHBondContact O-CB 3.31Å; N73-Q76 PolarHBondContact O-N 3.08Å; N73-Q76 VanDerWaalsContact O-N 3.07Å; N73-Q76 WeakPolarHBondContact OD1-CG 3.38Å; N73-Q76 PolarHBondContact OD1-N 3.05Å; Q76-T78 PolarHBondContact O-N 2.84Å; Q76-K79 PolarHBondContact O-N 2.91Å; Q76-L80 HydrophobicContact CB-CD1 4.38Å; Q76-L80 VanDerWaalsContact O-CB 3.27Å; Q76-L80 WeakPolarHBondContact O-CB 3.45Å; Q76-L80 WeakPolarHBondContact O-CG 3.44Å; Q76-L80 PolarHBondContact O-N 2.78Å
77	R	95.9	Very high	96.3	Very high	23 Å²	23	61.7 Å²	61.7	9%	0.087	33%	0.333	C	S	.	.	H	α-helix	trans	-57.6	-52.5	179.9	-66.4	-177.3	63	64.9	-2.6	111.4	E72 N73 S74 K79 R81 N245 S338 V340	E72-R77 HydrophobicContact CB-CG 3.46Å; E72-R77 VanDerWaalsContact CB-CG 3.46Å; E72-R77 HydrophobicContact CG-CG 4.46Å; E72-R77 IonicContact OE2-NH1 3.16Å; E72-R77 PolarHBondContact OE2-NH1 3.09Å; N73-R77 WeakPolarHBondContact O-CG 3.43Å; N73-R77 PolarHBondContact O-N 3.31Å; S74-R77 PolarHBondContact O-N 3.49Å; R77-K79 PolarHBondContact O-N 3.37Å; R77-R81 PolarHBondContact O-N 3.06Å; R77-N245 VanDerWaalsContact C-ND2 3.35Å; R77-N245 PolarHBondContact NH1-OD1 2.02Å; R77-N245 PolarHBondContact NH2-OD1 3.18Å; R77-N245 PolarHBondContact O-ND2 3.03Å; R77-S338 PolarHBondContact NE-O 3.18Å; R77-V340 PolarHBondContact NH2-O 3.28Å
78	T	94.6	Very high	96.1	Very high	91 Å²	91	68.6 Å²	68.6	56%	0.558	37%	0.37	S	S	*	.	H	α-helix	trans	-69.9	-31.8	-177.1	56.2	0	0	0	0	113.4	S74 N75 Q76	S74-T78 WeakPolarHBondContact O-CG2 3.27Å; S74-T78 PolarHBondContact O-N 2.86Å; S74-T78 PolarHBondContact O-OG1 3.16Å; S74-T78 VanDerWaalsContact O-OG1 3.13Å; N75-T78 PolarHBondContact O-OG1 2.83Å; Q76-T78 PolarHBondContact O-N 2.84Å
79	K	96.7	Very high	96	Very high	173 Å²	173	70.8 Å²	70.8	75%	0.752	38%	0.383	S	S	*	.	H	α-helix	trans	-75.3	-38.5	178.2	-176.4	177.2	177.9	179.8	0	112.7	N75 Q76 R77	N75-K79 WeakPolarHBondContact O-CB 3.36Å; N75-K79 PolarHBondContact O-N 3Å; Q76-K79 PolarHBondContact O-N 2.91Å; R77-K79 PolarHBondContact O-N 3.37Å
80	L	96.5	Very high	95.7	Very high	84 Å²	84	78.3 Å²	78.3	44%	0.44	42%	0.423	S	S	.	.	H	α-helix	trans	-82.7	-31.8	-173.5	-67.7	172	0	0	0	112.5	E72 Q76 M169	E72-L80 VanDerWaalsContact OE1-CD1 3.27Å; E72-L80 WeakPolarHBondContact OE1-CD1 3.26Å; Q76-L80 HydrophobicContact CB-CD1 4.38Å; Q76-L80 VanDerWaalsContact O-CB 3.27Å; Q76-L80 WeakPolarHBondContact O-CB 3.45Å; Q76-L80 WeakPolarHBondContact O-CG 3.44Å; Q76-L80 PolarHBondContact O-N 2.78Å; L80-M169 HydrophobicContact CD1-CE 4.02Å
81	R	97.8	Very high	95.6	Very high	6 Å²	6	78.4 Å²	78.4	2%	0.023	42%	0.423	C	S	.	.	S	Bend	trans	-138.6	143.8	-173.4	-84.2	167.4	-118	98.4	8.9	112.4	E72 R77 G168 D172 S243 N245	E72-R81 IonicContact OE1-CZ 3.03Å; E72-R81 IonicContact OE1-NH1 3.25Å; E72-R81 PolarHBondContact OE1-NH1 3.15Å; E72-R81 IonicContact OE1-NH2 3.78Å; E72-R81 PolarHBondContact OE1-NH2 3.11Å; E72-R81 IonicContact OE2-CZ 2.8Å; E72-R81 IonicContact OE2-NH1 2.75Å; E72-R81 PolarHBondContact OE2-NH1 3.07Å; E72-R81 IonicContact OE2-NH2 2.67Å; R77-R81 PolarHBondContact O-N 3.06Å; R81-G168 PolarHBondContact NE-O 3.25Å; R81-G168 VanDerWaalsContact NE-O 3.15Å; R81-D172 IonicContact CZ-OD2 3.4Å; R81-D172 IonicContact NE-OD1 3.27Å; R81-D172 PolarHBondContact NE-OD1 2.96Å; R81-D172 IonicContact NE-OD2 2.86Å; R81-D172 PolarHBondContact NE-OD2 3.48Å; R81-D172 IonicContact NH2-OD2 3.03Å; R81-D172 PolarHBondContact NH2-OD2 3.03Å; R81-S243 WeakPolarHBondContact CD-OG 3.4Å; R81-N245 PolarHBondContact NH1-OD1 3.23Å; R81-N245 PolarHBondContact O-ND2 2.83Å
82	P	98	Very high	95.5	Very high	83 Å²	83	85 Å²	85	54%	0.539	45%	0.454	S	S	.	.			trans	-62.7	157.1	167	30.1	-33.8	0	0	0	110	Y244 N245	P82-Y244 WeakPolarHBondContact O-CA 3.28Å; P82-Y244 WeakPolarHBondContact O-CB 3.36Å; P82-N245 PolarHBondContact O-N 2.86Å
83	T	98.3	Very high	95.5	Very high	68 Å²	68	86.4 Å²	86.4	42%	0.417	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.5	176.8	-57	0	0	0	0	109.7	N245 A247	T83-N245 CarbonylContact C-O 3.2Å; T83-N245 WeakPolarHBondContact CA-O 3.39Å; T83-N245 HydrophobicContact CG2-CB 4.38Å; T83-A247 HydrophobicContact CG2-CB 3.87Å
84	I	98.1	Very high	95.7	Very high	56 Å²	56	84.9 Å²	84.9	29%	0.287	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.5	179.8	-55.9	-58.9	0	0	0	109.5	H86 Y244 N245 A247	I84-H86 WeakPolarHBondContact CG2-NE2 3.3Å; I84-Y244 HydrophobicContact CB-CD2 4.03Å; I84-Y244 HydrophobicContact CB-CE2 4.29Å; I84-Y244 HydrophobicContact CG1-CD1 4.31Å; I84-Y244 HydrophobicContact CG1-CD2 3.47Å; I84-Y244 VanDerWaalsContact CG1-CD2 3.47Å; I84-Y244 HydrophobicContact CG1-CE2 3.94Å; I84-Y244 HydrophobicContact CG1-CG 3.68Å; I84-N245 PolarHBondContact N-O 3.27Å; I84-A247 PolarHBondContact O-N 3.35Å
85	S	96.9	Very high	96	Very high	31 Å²	31	87.6 Å²	87.6	22%	0.217	46%	0.457	C	S	.	.			trans	-110.6	-19	179.4	56.5	0	0	0	0	114.1	D87 S252	S85-D87 VanDerWaalsContact C-N 3.25Å; S85-D87 WeakPolarHBondContact CB-OD1 2.96Å; S85-D87 WeakPolarHBondContact CB-OD2 3.47Å; S85-D87 PolarHBondContact O-N 2.67Å; S85-D87 PolarHBondContact OG-OD1 3.18Å; S85-D87 PolarHBondContact OG-OD2 3.35Å; S85-S252 WeakPolarHBondContact CA-OG 3.27Å; S85-S252 WeakPolarHBondContact O-CA 3.32Å; S85-S252 VanDerWaalsContact O-CB 3.27Å; S85-S252 WeakPolarHBondContact O-CB 3.15Å; S85-S252 PolarHBondContact O-OG 3.46Å
86	H	96.5	Very high	96.2	Very high	30 Å²	30	88.5 Å²	88.5	14%	0.139	46%	0.456	C	S	.	.			trans	57	32.3	-172.7	-60.7	-70.9	0	0	0	114.4	I84 N88 V89 K255 E256	I84-H86 WeakPolarHBondContact CG2-NE2 3.3Å; H86-N88 VanDerWaalsContact C-N 3.25Å; H86-N88 PolarHBondContact O-N 2.93Å; H86-V89 HydrophobicContact CB-CB 4.23Å; H86-V89 HydrophobicContact CB-CG2 4.04Å; H86-V89 PolarHBondContact O-N 3.12Å; H86-K255 HydrophobicContact CB-CB 3.84Å; H86-K255 HydrophobicContact CB-CD 3.57Å; H86-K255 HydrophobicContact CB-CG 4.35Å; H86-K255 PolarHBondContact O-NZ 2.95Å; H86-E256 IonicContact CD2-OE2 3.85Å; H86-E256 IonicContact CE1-OE2 3.45Å; H86-E256 PolarHBondContact CE1-OE2 2.93Å; H86-E256 IonicContact NE2-OE2 2.71Å; H86-E256 PolarHBondContact NE2-OE2 3.45Å
87	D	94	Very high	96.3	Very high	122 Å²	122	85.1 Å²	85.1	65%	0.652	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-36.6	-179.1	-63.2	-32	0	0	0	112.6	S85 V89	S85-D87 VanDerWaalsContact C-N 3.25Å; S85-D87 WeakPolarHBondContact CB-OD1 2.96Å; S85-D87 WeakPolarHBondContact CB-OD2 3.47Å; S85-D87 PolarHBondContact O-N 2.67Å; S85-D87 PolarHBondContact OG-OD1 3.18Å; S85-D87 PolarHBondContact OG-OD2 3.35Å; D87-V89 VanDerWaalsContact C-N 3.27Å; D87-V89 PolarHBondContact O-N 3Å
88	N	93	Very high	96.5	Very high	167 Å²	167	85 Å²	85	89%	0.893	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-1.6	179.8	-62.8	-33.6	0	0	0	114	H86	H86-N88 VanDerWaalsContact C-N 3.25Å; H86-N88 PolarHBondContact O-N 2.93Å
89	V	93.3	Very high	96.7	Very high	48 Å²	48	80.7 Å²	80.7	29%	0.291	41%	0.414	S	S	.	.			trans	-95.8	105.2	179	-175.1	0	0	0	0	109.2	H86 D87 I91 K255 L259	H86-V89 HydrophobicContact CB-CB 4.23Å; H86-V89 HydrophobicContact CB-CG2 4.04Å; H86-V89 PolarHBondContact O-N 3.12Å; D87-V89 VanDerWaalsContact C-N 3.27Å; D87-V89 PolarHBondContact O-N 3Å; V89-I91 HydrophobicContact CG1-CB 4.32Å; V89-I91 HydrophobicContact CG1-CG2 3.97Å; V89-I91 PolarHBondContact O-N 3.09Å; V89-K255 WeakPolarHBondContact O-CE 3.47Å; V89-K255 PolarHBondContact O-NZ 2.88Å; V89-L259 HydrophobicContact CG1-CD1 4.19Å; V89-L259 HydrophobicContact CG2-CD1 4.46Å
90	N	93.5	Very high	96.8	Very high	172 Å²	172	75.9 Å²	75.9	92%	0.92	39%	0.391	S	S	*	.			trans	-88.7	94.3	174.6	-168.4	14.5	0	0	0	110.2
91	I	94.3	Very high	96.8	Very high	65 Å²	65	79 Å²	79	33%	0.333	40%	0.401	S	S	.	.			trans	-133.1	135	178.2	-172.6	163.1	0	0	0	109.4	V89 L93 K255 L258	V89-I91 HydrophobicContact CG1-CB 4.32Å; V89-I91 HydrophobicContact CG1-CG2 3.97Å; V89-I91 PolarHBondContact O-N 3.09Å; I91-L93 HydrophobicContact CG2-CD2 4.27Å; I91-L93 PolarHBondContact O-N 3.48Å; I91-K255 HydrophobicContact CG2-CG 4.07Å; I91-L258 HydrophobicContact CD1-CD2 3.65Å; I91-L258 HydrophobicContact CD1-CG 4.5Å; I91-L258 HydrophobicContact CG1-CD2 4.22Å
92	E	95.3	Very high	96.9	Very high	185 Å²	185	83.6 Å²	83.6	86%	0.864	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-72.6	119.6	171.4	-171.4	-179.5	172.4	0	0	109.2
93	L	97.5	Very high	96.9	Very high	37 Å²	37	80.4 Å²	80.4	19%	0.194	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-84.6	127.5	-179.6	-67.2	173.5	0	0	0	110.2	I91 I251 M254 K255 L258	I91-L93 HydrophobicContact CG2-CD2 4.27Å; I91-L93 PolarHBondContact O-N 3.48Å; L93-I251 HydrophobicContact CD1-CB 4.41Å; L93-I251 HydrophobicContact CD1-CG1 4.37Å; L93-I251 HydrophobicContact CD1-CG2 4.02Å; L93-M254 HydrophobicContact CB-CE 3.81Å; L93-M254 HydrophobicContact CD1-CB 3.71Å; L93-M254 HydrophobicContact CD1-CE 3.82Å; L93-M254 HydrophobicContact CD1-CG 4.45Å; L93-M254 HydrophobicContact CD1-SD 3.91Å; L93-M254 HydrophobicContact CD2-CB 4.18Å; L93-M254 HydrophobicContact CG-CE 4.37Å; L93-K255 HydrophobicContact CD1-CG 4.28Å; L93-K255 HydrophobicContact CD2-CG 3.96Å; L93-K255 HydrophobicContact CG-CG 4.48Å; L93-L258 HydrophobicContact CD2-CD2 3.65Å
94	P	98	Very high	96.9	Very high	53 Å²	53	85.4 Å²	85.4	34%	0.344	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-66.4	148.2	175.9	29.3	-35.7	0	0	0	110.6	F96 F97 W299	P94-F96 PolarHBondContact O-N 3.32Å; P94-F97 HydrophobicContact CG-CB 4.38Å; P94-F97 HydrophobicContact CG-CD2 4.25Å; P94-W299 HydrophobicContact CG-CZ2 4.12Å; P94-W299 PolarHBondContact O-NE1 3.15Å
95	K	97.6	Very high	96.8	Very high	155 Å²	155	87.2 Å²	87.2	67%	0.674	42%	0.42	S	S	*	.	S	Bend	trans	-61.8	-26.4	175.1	-68.1	-175.7	-179.4	179.9	0	113.2	G300 I301	K95-G300 WeakPolarHBondContact O-CA 3.29Å; K95-I301 HydrophobicContact CB-CD1 4.34Å; K95-I301 HydrophobicContact CD-CD1 4.49Å; K95-I301 HydrophobicContact CG-CD1 4.46Å
96	F	98.6	Very high	96.9	Very high	124 Å²	124	86 Å²	86	54%	0.544	41%	0.411	S	S	.	.			trans	-131.4	132	-179.8	-60.9	-91.6	0	0	0	109.8	P94 I301	P94-F96 PolarHBondContact O-N 3.32Å; F96-I301 WeakPolarHBondContact CE1-O 3.3Å; F96-I301 HydrophobicContact CZ-CB 4.38Å; F96-I301 WeakPolarHBondContact CZ-O 3.09Å
97	F	98.8	Very high	96.8	Very high	14 Å²	14	87.5 Å²	87.5	6%	0.061	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.6	175	-170.9	-97.7	0	0	0	110.4	P94 H102 W103 I257 L258 G298 W299	P94-F97 HydrophobicContact CG-CB 4.38Å; P94-F97 HydrophobicContact CG-CD2 4.25Å; F97-H102 HydrophobicContact CE2-CB 3.72Å; F97-H102 AromaticContact CE2-CD2 3.97Å; F97-H102 AromaticContact CE2-CG 3.49Å; F97-H102 VanDerWaalsContact CE2-CG 3.49Å; F97-H102 AromaticContact CE2-ND1 3.65Å; F97-H102 HydrophobicContact CZ-CB 3.71Å; F97-H102 AromaticContact CZ-CD2 3.9Å; F97-H102 AromaticContact CZ-CG 3.69Å; F97-W103 HydrophobicContact CE1-CH2 4Å; F97-W103 AromaticContact CE1-CZ3 3.7Å; F97-W103 HydrophobicContact CE1-CZ3 3.7Å; F97-W103 HydrophobicContact CZ-CE3 4.4Å; F97-W103 AromaticContact CZ-CH2 3.53Å; F97-W103 HydrophobicContact CZ-CH2 3.53Å; F97-W103 HydrophobicContact CZ-CZ2 4.45Å; F97-W103 AromaticContact CZ-CZ3 3.52Å; F97-W103 HydrophobicContact CZ-CZ3 3.52Å; F97-I257 HydrophobicContact CD1-CG2 3.97Å; F97-I257 HydrophobicContact CE1-CG2 3.78Å; F97-L258 HydrophobicContact CD2-CD1 3.65Å; F97-L258 HydrophobicContact CE2-CD1 3.23Å; F97-L258 HydrophobicContact CZ-CD1 3.83Å; F97-G298 CarbonylContact O-C 3.55Å; F97-G298 VanDerWaalsContact O-CA 3.3Å; F97-G298 WeakPolarHBondContact O-CA 3.49Å; F97-W299 HydrophobicContact CB-CD2 3.68Å; F97-W299 HydrophobicContact CB-CE3 3.83Å; F97-W299 HydrophobicContact CB-CG 4.43Å; F97-W299 HydrophobicContact CB-CH2 3.46Å; F97-W299 VanDerWaalsContact CB-CH2 3.46Å; F97-W299 HydrophobicContact CB-CZ2 3.33Å; F97-W299 HydrophobicContact CB-CZ3 3.7Å; F97-W299 HydrophobicContact CD1-CE3 4.11Å; F97-W299 AromaticContact CD1-CH2 3.69Å; F97-W299 HydrophobicContact CD1-CH2 3.69Å; F97-W299 HydrophobicContact CD1-CZ2 4.45Å; F97-W299 AromaticContact CD1-CZ3 3.49Å; F97-W299 HydrophobicContact CD1-CZ3 3.49Å; F97-W299 VanDerWaalsContact CD1-CZ3 3.49Å; F97-W299 HydrophobicContact CD2-CH2 4.16Å; F97-W299 HydrophobicContact CD2-CZ2 4.45Å; F97-W299 HydrophobicContact CE1-CH2 4.49Å; F97-W299 HydrophobicContact CE1-CZ3 4.33Å; F97-W299 HydrophobicContact CG-CE3 4.31Å; F97-W299 AromaticContact CG-CH2 3.49Å; F97-W299 HydrophobicContact CG-CH2 3.49Å; F97-W299 VanDerWaalsContact CG-CH2 3.49Å; F97-W299 AromaticContact CG-CZ2 3.86Å; F97-W299 HydrophobicContact CG-CZ2 3.86Å; F97-W299 AromaticContact CG-CZ3 3.74Å; F97-W299 HydrophobicContact CG-CZ3 3.74Å; F97-W299 PolarHBondContact N-O 2.92Å; F97-W299 PolarHBondContact O-N 2.85Å; F97-W299 VanDerWaalsContact O-O 3.04Å
98	D	98.8	Very high	97	Very high	21 Å²	21	82.2 Å²	82.2	11%	0.112	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	111.2	177.8	-177	-24.1	0	0	0	107.4	R100 K101 H102 L310	D98-R100 PolarHBondContact O-N 3.37Å; D98-R100 VanDerWaalsContact O-N 3.09Å; D98-R100 VanDerWaalsContact OD1-CB 3.3Å; D98-R100 WeakPolarHBondContact OD1-CB 3.17Å; D98-R100 WeakPolarHBondContact OD1-CG 3.32Å; D98-R100 IonicContact OD1-CZ 3.74Å; D98-R100 PolarHBondContact OD1-N 3.09Å; D98-R100 IonicContact OD1-NE 2.91Å; D98-R100 PolarHBondContact OD1-NE 2.78Å; D98-R100 IonicContact OD1-NH2 3.69Å; D98-R100 IonicContact OD2-CZ 3.28Å; D98-R100 IonicContact OD2-NE 3.85Å; D98-R100 PolarHBondContact OD2-NE 2.98Å; D98-R100 IonicContact OD2-NH2 2.99Å; D98-R100 PolarHBondContact OD2-NH2 3.45Å; D98-K101 HydrophobicContact CB-CB 4.26Å; D98-K101 HydrophobicContact CB-CD 4.09Å; D98-K101 HydrophobicContact CB-CG 4.07Å; D98-K101 PolarHBondContact O-N 3.18Å; D98-H102 PolarHBondContact O-N 3.44Å; D98-L310 HydrophobicContact CB-CD2 4.45Å
99	S	98.8	Very high	97.2	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-54	-32.7	-176.8	-65.2	0	0	0	0	112.3	K101 H102 W103 I297	S99-K101 VanDerWaalsContact C-N 3.31Å; S99-K101 PolarHBondContact O-N 2.85Å; S99-H102 PolarHBondContact O-N 2.91Å; S99-W103 PolarHBondContact O-N 3.4Å; S99-W103 WeakPolarHBondContact OG-CZ3 3.24Å; S99-I297 WeakPolarHBondContact CB-O 3.38Å; S99-I297 PolarHBondContact N-O 2.98Å; S99-I297 PolarHBondContact OG-O 2.83Å
100	R	98.4	Very high	97.4	Very high	72 Å²	72	78 Å²	78	27%	0.272	37%	0.368	S	S	.	.	H	α-helix	trans	-66.8	-35.2	179.1	-55.7	168.9	-63.5	179.1	2.1	111.8	D98 K104 I109 Q110 I297 Y324	D98-R100 PolarHBondContact O-N 3.37Å; D98-R100 VanDerWaalsContact O-N 3.09Å; D98-R100 VanDerWaalsContact OD1-CB 3.3Å; D98-R100 WeakPolarHBondContact OD1-CB 3.17Å; D98-R100 WeakPolarHBondContact OD1-CG 3.32Å; D98-R100 IonicContact OD1-CZ 3.74Å; D98-R100 PolarHBondContact OD1-N 3.09Å; D98-R100 IonicContact OD1-NE 2.91Å; D98-R100 PolarHBondContact OD1-NE 2.78Å; D98-R100 IonicContact OD1-NH2 3.69Å; D98-R100 IonicContact OD2-CZ 3.28Å; D98-R100 IonicContact OD2-NE 3.85Å; D98-R100 PolarHBondContact OD2-NE 2.98Å; D98-R100 IonicContact OD2-NH2 2.99Å; D98-R100 PolarHBondContact OD2-NH2 3.45Å; R100-K104 WeakPolarHBondContact O-CA 3.36Å; R100-I109 HydrophobicContact CB-CG2 4.44Å; R100-I109 HydrophobicContact CG-CB 4.27Å; R100-I109 HydrophobicContact CG-CG2 3.62Å; R100-Q110 HydrophobicContact CG-CB 4.14Å; R100-I297 HydrophobicContact CG-CD1 4.15Å; R100-Y324 WeakPolarHBondContact CD-OH 3.26Å; R100-Y324 VanDerWaalsContact NH1-CE2 3.25Å; R100-Y324 PolarHBondContact NH1-OH 2.84Å
101	K	98.4	Very high	97.5	Very high	149 Å²	149	72.2 Å²	72.2	65%	0.648	34%	0.339	S	S	*	.	H	α-helix	trans	-81.7	-31.9	178.6	-62.7	-176.4	-175.5	178.2	0	112.1	D98 S99 K104	D98-K101 HydrophobicContact CB-CB 4.26Å; D98-K101 HydrophobicContact CB-CD 4.09Å; D98-K101 HydrophobicContact CB-CG 4.07Å; D98-K101 PolarHBondContact O-N 3.18Å; S99-K101 VanDerWaalsContact C-N 3.31Å; S99-K101 PolarHBondContact O-N 2.85Å; K101-K104 VanDerWaalsContact O-CE 3.29Å; K101-K104 WeakPolarHBondContact O-CE 3.49Å; K101-K104 VanDerWaalsContact O-CG 3.3Å; K101-K104 WeakPolarHBondContact O-CG 3.25Å
102	H	98.4	Very high	97.7	Very high	104 Å²	104	70.3 Å²	70.3	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-78.3	-45.4	-179.1	-166.5	78.3	0	0	0	111.6	F97 D98 S99	F97-H102 HydrophobicContact CE2-CB 3.72Å; F97-H102 AromaticContact CE2-CD2 3.97Å; F97-H102 AromaticContact CE2-CG 3.49Å; F97-H102 VanDerWaalsContact CE2-CG 3.49Å; F97-H102 AromaticContact CE2-ND1 3.65Å; F97-H102 HydrophobicContact CZ-CB 3.71Å; F97-H102 AromaticContact CZ-CD2 3.9Å; F97-H102 AromaticContact CZ-CG 3.69Å; D98-H102 PolarHBondContact O-N 3.44Å; S99-H102 PolarHBondContact O-N 2.91Å
103	W	98.4	Very high	97.8	Very high	16 Å²	16	62.3 Å²	62.3	6%	0.061	29%	0.291	C	S	.	.			trans	-109.8	59.9	177.7	-61.6	-69.3	0	0	0	111.7	F97 S99 Y105 C106 I109 I136 I257 L258	F97-W103 HydrophobicContact CE1-CH2 4Å; F97-W103 AromaticContact CE1-CZ3 3.7Å; F97-W103 HydrophobicContact CE1-CZ3 3.7Å; F97-W103 HydrophobicContact CZ-CE3 4.4Å; F97-W103 AromaticContact CZ-CH2 3.53Å; F97-W103 HydrophobicContact CZ-CH2 3.53Å; F97-W103 HydrophobicContact CZ-CZ2 4.45Å; F97-W103 AromaticContact CZ-CZ3 3.52Å; F97-W103 HydrophobicContact CZ-CZ3 3.52Å; S99-W103 PolarHBondContact O-N 3.4Å; S99-W103 WeakPolarHBondContact OG-CZ3 3.24Å; W103-Y105 AromaticContact CD1-CZ 3.66Å; W103-Y105 VanDerWaalsContact CD1-OH 3.28Å; W103-Y105 PolarHBondContact O-N 2.88Å; W103-C106 HydrophobicContact CB-CB 4.34Å; W103-C106 PolarHBondContact O-N 2.64Å; W103-I109 HydrophobicContact CB-CD1 3.61Å; W103-I109 HydrophobicContact CE3-CD1 4.19Å; W103-I109 HydrophobicContact CG-CD1 4.41Å; W103-I136 HydrophobicContact CB-CG1 4.15Å; W103-I136 HydrophobicContact CD2-CD1 3.58Å; W103-I136 HydrophobicContact CD2-CG1 3.75Å; W103-I136 HydrophobicContact CD2-CG2 4.31Å; W103-I136 HydrophobicContact CE3-CD1 3.62Å; W103-I136 HydrophobicContact CE3-CG1 4.28Å; W103-I136 HydrophobicContact CG-CD1 4.06Å; W103-I136 HydrophobicContact CG-CG1 3.7Å; W103-I136 HydrophobicContact CG-CG2 4.5Å; W103-I136 HydrophobicContact CH2-CD1 4.46Å; W103-I136 HydrophobicContact CZ2-CD1 4.4Å; W103-I136 HydrophobicContact CZ2-CG2 4.15Å; W103-I136 HydrophobicContact CZ3-CD1 4.08Å; W103-I257 WeakPolarHBondContact CH2-O 3.01Å; W103-L258 WeakPolarHBondContact CH2-O 3.45Å; W103-L258 WeakPolarHBondContact CZ2-O 3.49Å
104	K	97.7	Very high	97.7	Very high	172 Å²	172	61 Å²	61	75%	0.748	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.9	-178.9	-60.5	-176.8	-177.7	177	0	114.2	R100 K101 C106	R100-K104 WeakPolarHBondContact O-CA 3.36Å; K101-K104 VanDerWaalsContact O-CE 3.29Å; K101-K104 WeakPolarHBondContact O-CE 3.49Å; K101-K104 VanDerWaalsContact O-CG 3.3Å; K101-K104 WeakPolarHBondContact O-CG 3.25Å; K104-C106 PolarHBondContact O-N 3.49Å
105	Y	97.3	Very high	97.7	Very high	95 Å²	95	58.4 Å²	58.4	37%	0.373	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.4	177.8	56.9	-104.3	0	0	0	113.5	W103 P107 N140	W103-Y105 AromaticContact CD1-CZ 3.66Å; W103-Y105 VanDerWaalsContact CD1-OH 3.28Å; W103-Y105 PolarHBondContact O-N 2.88Å; Y105-P107 VanDerWaalsContact O-CD 3.28Å; Y105-P107 WeakPolarHBondContact O-CD 3.44Å; Y105-N140 HydrophobicContact CD2-CB 3.65Å; Y105-N140 HydrophobicContact CE2-CB 4.33Å; Y105-N140 HydrophobicContact CG-CB 4.26Å; Y105-N140 PolarHBondContact O-OD1 3.07Å; Y105-N140 VanDerWaalsContact O-OD1 3.05Å
106	C	98.3	Very high	97.6	Very high	4 Å²	4	51 Å²	51	3%	0.027	24%	0.236	C	C	.	.			trans	-106.7	93.6	177.7	-70.6	0	0	0	0	111.2	W103 K104 S108 I109 C135 I136	W103-C106 HydrophobicContact CB-CB 4.34Å; W103-C106 PolarHBondContact O-N 2.64Å; K104-C106 PolarHBondContact O-N 3.49Å; C106-S108 PolarHBondContact O-N 2.86Å; C106-I109 HydrophobicContact CB-CD1 3.61Å; C106-I109 HydrophobicContact CB-CG1 3.92Å; C106-I109 PolarHBondContact O-N 2.86Å; C106-C135 WeakPolarHBondContact CA-SG 3.33Å; C106-C135 HydrophobicContact CB-CB 3.81Å; C106-C135 WeakPolarHBondContact CB-SG 3.28Å; C106-C135 WeakPolarHBondContact SG-CB 3.43Å; C106-C135 CovalentContact SG-SG 2.04Å; C106-C135 PolarHBondContact SG-SG 3.44Å; C106-I136 PolarHBondContact SG-N 2.84Å
107	P	95.6	Very high	97.4	Very high	63 Å²	63	45.1 Å²	45.1	41%	0.409	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-67.6	-19.2	-176.9	28	-35.6	0	0	0	113.5	Y105 I109 Q110 T111	Y105-P107 VanDerWaalsContact O-CD 3.28Å; Y105-P107 WeakPolarHBondContact O-CD 3.44Å; P107-I109 PolarHBondContact O-N 2.83Å; P107-Q110 WeakPolarHBondContact O-CG 3.35Å; P107-Q110 PolarHBondContact O-N 3.32Å; P107-T111 PolarHBondContact O-OG1 3.39Å; P107-T111 VanDerWaalsContact O-OG1 3.12Å
108	S	96.8	Very high	97.3	Very high	10 Å²	10	44.5 Å²	44.5	7%	0.07	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-61.6	-29.7	177.7	61.8	0	0	0	0	112.8	C106 Q110 T111 D132 R295	C106-S108 PolarHBondContact O-N 2.86Å; S108-Q110 VanDerWaalsContact C-N 3.32Å; S108-Q110 PolarHBondContact O-N 3.37Å; S108-T111 WeakPolarHBondContact O-CB 3.41Å; S108-T111 PolarHBondContact O-N 2.85Å; S108-D132 WeakPolarHBondContact CB-OD1 2.94Å; S108-D132 WeakPolarHBondContact OG-CA 3.49Å; S108-D132 PolarHBondContact OG-OD1 3.22Å; S108-R295 PolarHBondContact O-NH1 2.89Å; S108-R295 VanDerWaalsContact O-NH1 3.08Å
109	I	98.3	Very high	97.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-68.1	-33.7	-174.3	-54.5	173.6	0	0	0	111.4	R100 W103 C106 P107 D132 I136 P262	R100-I109 HydrophobicContact CB-CG2 4.44Å; R100-I109 HydrophobicContact CG-CB 4.27Å; R100-I109 HydrophobicContact CG-CG2 3.62Å; W103-I109 HydrophobicContact CB-CD1 3.61Å; W103-I109 HydrophobicContact CE3-CD1 4.19Å; W103-I109 HydrophobicContact CG-CD1 4.41Å; C106-I109 HydrophobicContact CB-CD1 3.61Å; C106-I109 HydrophobicContact CB-CG1 3.92Å; C106-I109 PolarHBondContact O-N 2.86Å; P107-I109 PolarHBondContact O-N 2.83Å; I109-D132 VanDerWaalsContact CA-OD1 3.28Å; I109-D132 WeakPolarHBondContact CA-OD1 3.43Å; I109-D132 HydrophobicContact CG1-CB 3.96Å; I109-D132 WeakPolarHBondContact CG1-OD1 3.13Å; I109-D132 PolarHBondContact N-OD1 2.75Å; I109-I136 HydrophobicContact CD1-CD1 4.05Å; I109-I136 HydrophobicContact CD1-CG1 4.32Å; I109-P262 HydrophobicContact CG2-CG 4.18Å
110	Q	97.1	Very high	97.2	Very high	127 Å²	127	43.5 Å²	43.5	59%	0.593	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-85.9	-9.4	179.8	60.8	174.6	26.1	0	0	113.4	R100 P107 S108 I112 Y324	R100-Q110 HydrophobicContact CG-CB 4.14Å; P107-Q110 WeakPolarHBondContact O-CG 3.35Å; P107-Q110 PolarHBondContact O-N 3.32Å; S108-Q110 VanDerWaalsContact C-N 3.32Å; S108-Q110 PolarHBondContact O-N 3.37Å; Q110-I112 PolarHBondContact O-N 3.07Å; Q110-Y324 WeakPolarHBondContact CA-OH 3.37Å; Q110-Y324 PolarHBondContact O-OH 3.03Å
111	T	96.4	Very high	97.2	Very high	50 Å²	50	40.1 Å²	40.1	31%	0.307	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-75.6	120.4	-175.9	-58.7	0	0	0	0	109.6	P107 S108 R113 R295	P107-T111 PolarHBondContact O-OG1 3.39Å; P107-T111 VanDerWaalsContact O-OG1 3.12Å; S108-T111 WeakPolarHBondContact O-CB 3.41Å; S108-T111 PolarHBondContact O-N 2.85Å; T111-R113 HydrophobicContact CG2-CG 4.24Å; T111-R295 PolarHBondContact O-NH2 3.42Å
112	I	97.2	Very high	97.2	Very high	26 Å²	26	33 Å²	33	13%	0.133	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-96	120.6	170.1	-64	-56.4	0	0	0	107.5	Q110 A312 Y324	Q110-I112 PolarHBondContact O-N 3.07Å; I112-A312 HydrophobicContact CD1-CB 3.77Å; I112-Y324 HydrophobicContact CD1-CD1 4.17Å; I112-Y324 HydrophobicContact CD1-CD2 4.16Å; I112-Y324 HydrophobicContact CD1-CE1 3.74Å; I112-Y324 HydrophobicContact CD1-CE2 3.69Å; I112-Y324 HydrophobicContact CD1-CG 4.37Å; I112-Y324 VanDerWaalsContact CD1-CZ 3.46Å; I112-Y324 HydrophobicContact CG1-CD2 4.4Å; I112-Y324 HydrophobicContact CG1-CE2 3.76Å
113	R	96.9	Very high	97.2	Very high	16 Å²	16	28 Å²	28	6%	0.06	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-97.4	172.3	177.4	-52.9	-179.8	73	164.7	6	111.1	T111 F124 E128 L146 G182 G183 S314 N316	T111-R113 HydrophobicContact CG2-CG 4.24Å; R113-F124 HydrophobicContact CB-CD1 3.8Å; R113-F124 HydrophobicContact CB-CE1 3.72Å; R113-E128 WeakPolarHBondContact CB-OE1 3.11Å; R113-E128 WeakPolarHBondContact CD-OE1 3.33Å; R113-E128 HydrophobicContact CG-CG 4.3Å; R113-E128 WeakPolarHBondContact CG-OE1 3.5Å; R113-L146 PolarHBondContact NH1-O 2.75Å; R113-G182 PolarHBondContact NH2-O 2.82Å; R113-G183 PolarHBondContact NH2-O 3.08Å; R113-S314 CarbonylContact O-C 3.3Å; R113-S314 VanDerWaalsContact O-C 3.29Å; R113-S314 VanDerWaalsContact O-CA 3.29Å; R113-S314 WeakPolarHBondContact O-CA 3.3Å; R113-N316 PolarHBondContact O-N 3.25Å
114	D	96.8	Very high	97.2	Very high	9 Å²	9	27.4 Å²	27.4	5%	0.048	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-123.3	125.1	173.2	-165.5	-21.8	0	0	0	110.2	R56 S116 F124 E198 C199 S314 N316	R56-D114 IonicContact CZ-OD1 3.53Å; R56-D114 VanDerWaalsContact CZ-OD1 3.25Å; R56-D114 IonicContact CZ-OD2 3.77Å; R56-D114 IonicContact NH1-OD1 3.42Å; R56-D114 PolarHBondContact NH1-OD1 2.97Å; R56-D114 IonicContact NH1-OD2 2.72Å; R56-D114 PolarHBondContact NH1-OD2 2.96Å; R56-D114 IonicContact NH2-OD1 3.36Å; R56-D114 PolarHBondContact NH2-OD1 3.4Å; D114-S116 PolarHBondContact O-N 2.83Å; D114-S116 WeakPolarHBondContact OD1-CA 3.25Å; D114-S116 PolarHBondContact OD1-N 3.27Å; D114-F124 WeakPolarHBondContact O-CE1 3.38Å; D114-F124 WeakPolarHBondContact O-CZ 3.48Å; D114-E198 HydrophobicContact CB-CB 4.22Å; D114-E198 HydrophobicContact CB-CG 3.72Å; D114-C199 PolarHBondContact OD2-N 3.38Å; D114-C199 VanDerWaalsContact OD2-N 3.16Å; D114-S314 WeakPolarHBondContact CA-O 3.42Å; D114-N316 HydrophobicContact CB-CB 4.21Å; D114-N316 PolarHBondContact OD2-ND2 2.87Å
115	Q	96.9	Very high	97.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.			trans	-75.7	-3.4	174.2	72.9	-175.7	78.4	0	0	113.8	M66 C118 F124 Y194 H292 S314	M66-Q115 PolarHBondContact O-NE2 3.26Å; M66-Q115 HydrophobicContact SD-CG 4.07Å; Q115-C118 PolarHBondContact NE2-O 2.91Å; Q115-F124 HydrophobicContact CB-CD2 3.83Å; Q115-F124 HydrophobicContact CB-CE2 3.83Å; Q115-F124 HydrophobicContact CB-CG 4.26Å; Q115-F124 HydrophobicContact CB-CZ 4.24Å; Q115-Y194 PolarHBondContact O-OH 2.94Å; Q115-H292 PolarHBondContact OE1-CE1 3.35Å; Q115-S314 PolarHBondContact N-O 2.03Å; Q115-S314 PolarHBondContact OE1-OG 2.78Å
116	S	95.6	Very high	97.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.			trans	56.7	-144.1	-176.9	-166.6	0	0	0	0	112	R56 D114 C118 F196 P197 C199 H201	R56-S116 PolarHBondContact NH2-O 2.73Å; D114-S116 PolarHBondContact O-N 2.83Å; D114-S116 WeakPolarHBondContact OD1-CA 3.25Å; D114-S116 PolarHBondContact OD1-N 3.27Å; S116-C118 VanDerWaalsContact C-N 3.31Å; S116-C118 PolarHBondContact O-N 3.21Å; S116-F196 VanDerWaalsContact CB-CB 3.45Å; S116-F196 WeakPolarHBondContact OG-CB 3.42Å; S116-P197 WeakPolarHBondContact CB-O 3.23Å; S116-P197 PolarHBondContact OG-O 2.75Å; S116-C199 PolarHBondContact OG-SG 3.21Å; S116-C199 VanDerWaalsContact OG-SG 3.34Å; S116-H201 PolarHBondContact O-NE2 2.76Å
117	S	94.5	Very high	97.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-91.2	51.7	176.8	-65.5	0	0	0	0	113.4	H201 C211 S213 F216	S117-H201 PolarHBondContact OG-CE1 2.93Å; S117-H201 PolarHBondContact OG-NE2 3.37Å; S117-C211 WeakPolarHBondContact OG-CB 3.48Å; S117-C211 PolarHBondContact OG-SG 3.2Å; S117-S213 VanDerWaalsContact CB-O 3.24Å; S117-S213 WeakPolarHBondContact CB-O 3.46Å; S117-S213 PolarHBondContact OG-O 2.91Å; S117-F216 PolarHBondContact O-N 3.4Å
118	C	96.7	Very high	97.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-140.6	136.2	-178.3	170.1	0	0	0	0	109.6	Q115 S116 S120 C162 F196	Q115-C118 PolarHBondContact NE2-O 2.91Å; S116-C118 VanDerWaalsContact C-N 3.31Å; S116-C118 PolarHBondContact O-N 3.21Å; C118-S120 PolarHBondContact O-N 2.92Å; C118-S120 PolarHBondContact O-OG 3.24Å; C118-S120 WeakPolarHBondContact SG-CB 3.04Å; C118-S120 PolarHBondContact SG-OG 3.22Å; C118-S120 VanDerWaalsContact SG-OG 3.38Å; C118-C162 HydrophobicContact CB-CB 3.92Å; C118-C162 WeakPolarHBondContact CB-SG 3.34Å; C118-C162 WeakPolarHBondContact SG-CA 3.29Å; C118-C162 WeakPolarHBondContact SG-CB 3.42Å; C118-C162 CovalentContact SG-SG 2.03Å; C118-C162 PolarHBondContact SG-SG 3.38Å; C118-F196 HydrophobicContact CB-CD2 4.03Å; C118-F196 HydrophobicContact CB-CE2 3.96Å
119	G	97.3	Very high	97.6	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.01	6%	0.057	C	C	.	.			trans	-75	49.8	174.2	0	0	0	0	0	112.6	S65 G68 C162	S65-G119 VanDerWaalsContact O-CA 3.28Å; S65-G119 WeakPolarHBondContact O-CA 3.15Å; S65-G119 PolarHBondContact O-N 3.27Å; G68-G119 WeakPolarHBondContact CA-O 3.47Å; G119-C162 WeakPolarHBondContact CA-O 3.41Å; G119-C162 PolarHBondContact N-O 2.03Å
120	S	98.2	Very high	97.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.			trans	-97.2	12.9	-175.9	50.3	0	0	0	0	113.7	C118 W122 A123 F124 L152 Y194	C118-S120 PolarHBondContact O-N 2.92Å; C118-S120 PolarHBondContact O-OG 3.24Å; C118-S120 WeakPolarHBondContact SG-CB 3.04Å; C118-S120 PolarHBondContact SG-OG 3.22Å; C118-S120 VanDerWaalsContact SG-OG 3.38Å; S120-W122 PolarHBondContact O-N 2.75Å; S120-A123 WeakPolarHBondContact O-CA 3.28Å; S120-A123 WeakPolarHBondContact O-CB 3.43Å; S120-A123 PolarHBondContact O-N 3.41Å; S120-F124 WeakPolarHBondContact O-CD2 3.49Å; S120-F124 PolarHBondContact O-N 3.37Å; S120-F124 WeakPolarHBondContact OG-CE2 3.21Å; S120-L152 VanDerWaalsContact CB-CD1 3.45Å; S120-Y194 PolarHBondContact OG-OH 2.89Å
121	C	98.6	Very high	97.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-51.2	-36.6	-178.6	63.4	0	0	0	0	113.7	G68 A123 F124 G125 H292 A293	G68-C121 VanDerWaalsContact CA-SG 3.51Å; G68-C121 PolarHBondContact N-SG 3.45Å; C121-A123 VanDerWaalsContact C-N 3.25Å; C121-A123 PolarHBondContact O-N 3.3Å; C121-F124 PolarHBondContact O-N 3.02Å; C121-G125 PolarHBondContact O-N 3.14Å; C121-H292 WeakPolarHBondContact CB-CE1 3.3Å; C121-H292 WeakPolarHBondContact CB-ND1 3.49Å; C121-H292 PolarHBondContact SG-ND1 2.85Å; C121-H292 VanDerWaalsContact SG-ND1 3.45Å; C121-A293 HydrophobicContact CB-CB 4.3Å; C121-A293 WeakPolarHBondContact O-CB 3.3Å
122	W	98.7	Very high	97.9	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-65	-26.1	176.3	68.5	-91.1	0	0	0	113.2	S120 A126 L151 L152 C158 G161 P167 A170	S120-W122 PolarHBondContact O-N 2.75Å; W122-A126 WeakPolarHBondContact O-CB 3.33Å; W122-L151 HydrophobicContact CH2-CG 4.3Å; W122-L151 HydrophobicContact CZ3-CD1 4.16Å; W122-L151 HydrophobicContact CZ3-CD2 4.22Å; W122-L151 HydrophobicContact CZ3-CG 3.9Å; W122-L152 HydrophobicContact CZ2-CD1 3.76Å; W122-C158 HydrophobicContact CE3-CB 4.26Å; W122-C158 HydrophobicContact CH2-CB 3.47Å; W122-C158 VanDerWaalsContact CH2-CB 3.47Å; W122-C158 HydrophobicContact CZ2-CB 4.4Å; W122-C158 HydrophobicContact CZ3-CB 3.39Å; W122-G161 PolarHBondContact NE1-O 2.89Å; W122-P167 HydrophobicContact CB-CG 4.21Å; W122-A170 HydrophobicContact CE3-CB 4.03Å; W122-A170 HydrophobicContact CZ3-CB 4.03Å
123	A	98.8	Very high	98	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-84.7	-41	173.9	0	0	0	0	0	110.3	S120 C121 A126 V127 L151 L152	S120-A123 WeakPolarHBondContact O-CA 3.28Å; S120-A123 WeakPolarHBondContact O-CB 3.43Å; S120-A123 PolarHBondContact O-N 3.41Å; C121-A123 VanDerWaalsContact C-N 3.25Å; C121-A123 PolarHBondContact O-N 3.3Å; A123-A126 PolarHBondContact O-N 3.35Å; A123-V127 WeakPolarHBondContact O-CG1 3.17Å; A123-V127 WeakPolarHBondContact O-CG2 3.49Å; A123-V127 PolarHBondContact O-N 2.84Å; A123-L151 HydrophobicContact CB-CD2 3.83Å; A123-L151 HydrophobicContact CB-CG 4.17Å; A123-L152 HydrophobicContact CB-CB 4.37Å; A123-L152 HydrophobicContact CB-CD1 4.34Å
124	F	98.8	Very high	98	Very high	2 Å²	2	1.2 Å²	1.2	1%	0.009	1%	0.007	C	C	.	.	H	α-helix	trans	-63.9	-51.9	178.6	-85.1	-101	0	0	0	112.4	R113 D114 Q115 S120 C121 A126 V127 E128 A148 Y194	R113-F124 HydrophobicContact CB-CD1 3.8Å; R113-F124 HydrophobicContact CB-CE1 3.72Å; D114-F124 WeakPolarHBondContact O-CE1 3.38Å; D114-F124 WeakPolarHBondContact O-CZ 3.48Å; Q115-F124 HydrophobicContact CB-CD2 3.83Å; Q115-F124 HydrophobicContact CB-CE2 3.83Å; Q115-F124 HydrophobicContact CB-CG 4.26Å; Q115-F124 HydrophobicContact CB-CZ 4.24Å; S120-F124 WeakPolarHBondContact O-CD2 3.49Å; S120-F124 PolarHBondContact O-N 3.37Å; S120-F124 WeakPolarHBondContact OG-CE2 3.21Å; C121-F124 PolarHBondContact O-N 3.02Å; F124-A126 PolarHBondContact O-N 3.4Å; F124-V127 PolarHBondContact O-N 3.47Å; F124-E128 WeakPolarHBondContact O-CB 3.37Å; F124-E128 WeakPolarHBondContact O-CG 3.08Å; F124-E128 PolarHBondContact O-N 2.86Å; F124-A148 HydrophobicContact CD2-CB 3.94Å; F124-A148 HydrophobicContact CE1-CB 4.31Å; F124-A148 HydrophobicContact CE2-CB 3.61Å; F124-A148 HydrophobicContact CG-CB 4.42Å; F124-A148 HydrophobicContact CZ-CB 3.81Å; F124-Y194 HydrophobicContact CE2-CD2 4.15Å; F124-Y194 HydrophobicContact CE2-CE1 4.01Å; F124-Y194 AromaticContact CE2-CE2 3.59Å; F124-Y194 HydrophobicContact CE2-CE2 3.59Å; F124-Y194 AromaticContact CE2-CZ 3.48Å; F124-Y194 VanDerWaalsContact CE2-CZ 3.48Å; F124-Y194 AromaticContact CZ-CD1 3.87Å; F124-Y194 HydrophobicContact CZ-CD1 3.87Å; F124-Y194 AromaticContact CZ-CD2 3.96Å; F124-Y194 HydrophobicContact CZ-CD2 3.96Å; F124-Y194 AromaticContact CZ-CE1 3.66Å; F124-Y194 HydrophobicContact CZ-CE1 3.66Å; F124-Y194 AromaticContact CZ-CE2 3.81Å; F124-Y194 HydrophobicContact CZ-CE2 3.81Å; F124-Y194 AromaticContact CZ-CG 4Å; F124-Y194 HydrophobicContact CZ-CG 4Å; F124-Y194 AromaticContact CZ-CZ 3.62Å
125	G	98.6	Very high	98.1	Very high	1 Å²	1	0.8 Å²	0.8	1%	0.01	1%	0.005	C	C	.	.	H	α-helix	trans	-56	-37.8	178.3	0	0	0	0	0	112.6	C121 S129	C121-G125 PolarHBondContact O-N 3.14Å; G125-S129 WeakPolarHBondContact O-CB 3.25Å; G125-S129 PolarHBondContact O-N 2.95Å; G125-S129 PolarHBondContact O-OG 3.03Å
126	A	98.9	Very high	98.2	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-67	-63.8	174.5	0	0	0	0	0	112.3	W122 A123 F124 E128 S129 M130 L151 A170 E264	W122-A126 WeakPolarHBondContact O-CB 3.33Å; A123-A126 PolarHBondContact O-N 3.35Å; F124-A126 PolarHBondContact O-N 3.4Å; A126-E128 VanDerWaalsContact C-N 3.25Å; A126-E128 PolarHBondContact O-N 2.77Å; A126-S129 PolarHBondContact O-N 2.91Å; A126-S129 VanDerWaalsContact O-N 3.15Å; A126-M130 HydrophobicContact CB-CE 3.82Å; A126-M130 HydrophobicContact CB-SD 4.43Å; A126-M130 WeakPolarHBondContact O-CB 3.38Å; A126-M130 WeakPolarHBondContact O-CG 3.19Å; A126-M130 PolarHBondContact O-N 2.93Å; A126-L151 HydrophobicContact CB-CD2 4.01Å; A126-A170 HydrophobicContact CB-CB 3.68Å; A126-E264 WeakPolarHBondContact CA-OE2 3.49Å; A126-E264 WeakPolarHBondContact CB-OE2 3.26Å; A126-E264 VanDerWaalsContact N-CD 3.26Å; A126-E264 PolarHBondContact N-OE1 3.28Å
127	V	98.9	Very high	98.4	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-64.2	-31.2	-172.2	-61.3	0	0	0	0	112.8	A123 F124 S131 L146 A148 L151 I179	A123-V127 WeakPolarHBondContact O-CG1 3.17Å; A123-V127 WeakPolarHBondContact O-CG2 3.49Å; A123-V127 PolarHBondContact O-N 2.84Å; F124-V127 PolarHBondContact O-N 3.47Å; V127-S131 VanDerWaalsContact O-CB 3.29Å; V127-S131 WeakPolarHBondContact O-CB 3.34Å; V127-S131 PolarHBondContact O-N 2.77Å; V127-S131 PolarHBondContact O-OG 3.37Å; V127-L146 HydrophobicContact CB-CB 3.93Å; V127-L146 HydrophobicContact CG1-CB 4.3Å; V127-A148 HydrophobicContact CG2-CB 4.02Å; V127-L151 HydrophobicContact CG1-CB 4.18Å; V127-L151 HydrophobicContact CG1-CD2 3.7Å; V127-I179 HydrophobicContact CG1-CD1 4.17Å
128	E	98.9	Very high	98.5	Very high	5 Å²	5	4.6 Å²	4.6	2%	0.023	2%	0.024	C	C	.	.	H	α-helix	trans	-65.5	-50.4	174.6	-73.7	-179.9	-171.1	0	0	111.4	R113 F124 A126 M130 S131 D132 R295	R113-E128 WeakPolarHBondContact CB-OE1 3.11Å; R113-E128 WeakPolarHBondContact CD-OE1 3.33Å; R113-E128 HydrophobicContact CG-CG 4.3Å; R113-E128 WeakPolarHBondContact CG-OE1 3.5Å; F124-E128 WeakPolarHBondContact O-CB 3.37Å; F124-E128 WeakPolarHBondContact O-CG 3.08Å; F124-E128 PolarHBondContact O-N 2.86Å; A126-E128 VanDerWaalsContact C-N 3.25Å; A126-E128 PolarHBondContact O-N 2.77Å; E128-M130 VanDerWaalsContact C-N 3.32Å; E128-M130 PolarHBondContact O-N 3.11Å; E128-S131 WeakPolarHBondContact O-CB 3.42Å; E128-S131 PolarHBondContact O-N 3.1Å; E128-D132 VanDerWaalsContact O-CG 3.28Å; E128-D132 PolarHBondContact O-N 2.82Å; E128-R295 IonicContact OE2-CZ 2.82Å; E128-R295 VanDerWaalsContact OE2-CZ 3.24Å; E128-R295 IonicContact OE2-NE 2.6Å; E128-R295 PolarHBondContact OE2-NE 3.13Å; E128-R295 IonicContact OE2-NH2 3.91Å; E128-R295 PolarHBondContact OE2-NH2 2.77Å
129	S	98.9	Very high	98.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.7	-40.1	176.6	-59.5	0	0	0	0	111.7	G125 A126 D132 R133 V263 E264	G125-S129 WeakPolarHBondContact O-CB 3.25Å; G125-S129 PolarHBondContact O-N 2.95Å; G125-S129 PolarHBondContact O-OG 3.03Å; A126-S129 PolarHBondContact O-N 2.91Å; A126-S129 VanDerWaalsContact O-N 3.15Å; S129-D132 PolarHBondContact O-N 3.15Å; S129-R133 WeakPolarHBondContact O-CB 3.45Å; S129-R133 WeakPolarHBondContact O-CG 3.33Å; S129-R133 PolarHBondContact O-N 3.05Å; S129-V263 PolarHBondContact OG-O 3.24Å; S129-E264 PolarHBondContact OG-N 2.93Å
130	M	98.9	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-43.8	176.3	-67.6	163.3	-175.5	0	0	112	A126 E128 D132 R133 I134 L146 W171 W174 I179	A126-M130 HydrophobicContact CB-CE 3.82Å; A126-M130 HydrophobicContact CB-SD 4.43Å; A126-M130 WeakPolarHBondContact O-CB 3.38Å; A126-M130 WeakPolarHBondContact O-CG 3.19Å; A126-M130 PolarHBondContact O-N 2.93Å; E128-M130 VanDerWaalsContact C-N 3.32Å; E128-M130 PolarHBondContact O-N 3.11Å; M130-D132 VanDerWaalsContact C-N 3.35Å; M130-D132 PolarHBondContact O-N 3.3Å; M130-R133 PolarHBondContact O-N 3.19Å; M130-I134 VanDerWaalsContact O-CG1 3.3Å; M130-I134 WeakPolarHBondContact O-CG1 3.41Å; M130-I134 PolarHBondContact O-N 3.34Å; M130-L146 HydrophobicContact CB-CD1 3.64Å; M130-L146 HydrophobicContact SD-CD1 4.38Å; M130-W171 HydrophobicContact CE-CB 4.28Å; M130-W171 HydrophobicContact CE-CD2 3.6Å; M130-W171 HydrophobicContact CE-CE3 3.77Å; M130-W171 HydrophobicContact CE-CG 3.84Å; M130-W171 HydrophobicContact CE-CZ3 4.35Å; M130-W171 HydrophobicContact CG-CE3 4.12Å; M130-W171 HydrophobicContact CG-CH2 4Å; M130-W171 HydrophobicContact CG-CZ2 4.48Å; M130-W171 HydrophobicContact CG-CZ3 3.79Å; M130-W174 HydrophobicContact CB-CD2 4.32Å; M130-W174 HydrophobicContact CB-CH2 4.37Å; M130-W174 HydrophobicContact CB-CZ2 4.16Å; M130-W174 HydrophobicContact CE-CB 3.51Å; M130-W174 HydrophobicContact CE-CD2 4.13Å; M130-W174 HydrophobicContact CE-CE3 4.08Å; M130-W174 HydrophobicContact CE-CG 3.94Å; M130-W174 HydrophobicContact CG-CD2 3.73Å; M130-W174 HydrophobicContact CG-CE3 3.74Å; M130-W174 HydrophobicContact CG-CG 4.19Å; M130-W174 HydrophobicContact CG-CH2 4.28Å; M130-W174 HydrophobicContact CG-CZ2 4.33Å; M130-W174 HydrophobicContact CG-CZ3 4.03Å; M130-W174 HydrophobicContact SD-CB 3.68Å; M130-W174 HydrophobicContact SD-CD2 3.77Å; M130-W174 HydrophobicContact SD-CE3 4.17Å; M130-W174 HydrophobicContact SD-CG 3.56Å; M130-W174 VanDerWaalsContact SD-CG 3.56Å; M130-I179 HydrophobicContact SD-CD1 3.81Å
131	S	98.8	Very high	98.4	Very high	5 Å²	5	25 Å²	25	4%	0.035	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-46.4	177.6	-61.1	0	0	0	0	111.2	V127 E128 R133 I134 C135 V144 L146	V127-S131 VanDerWaalsContact O-CB 3.29Å; V127-S131 WeakPolarHBondContact O-CB 3.34Å; V127-S131 PolarHBondContact O-N 2.77Å; V127-S131 PolarHBondContact O-OG 3.37Å; E128-S131 WeakPolarHBondContact O-CB 3.42Å; E128-S131 PolarHBondContact O-N 3.1Å; S131-R133 PolarHBondContact O-N 2.84Å; S131-I134 PolarHBondContact O-N 2.68Å; S131-C135 PolarHBondContact O-N 2.95Å; S131-C135 VanDerWaalsContact O-N 3.17Å; S131-V144 VanDerWaalsContact CB-O 3.3Å; S131-V144 WeakPolarHBondContact CB-O 3.39Å; S131-L146 PolarHBondContact OG-N 3.49Å
132	D	98.8	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-47.7	176.3	-67.1	-17.8	0	0	0	111.9	S108 I109 E128 S129 M130 I134 C135 I136 P262 R295	S108-D132 WeakPolarHBondContact CB-OD1 2.94Å; S108-D132 WeakPolarHBondContact OG-CA 3.49Å; S108-D132 PolarHBondContact OG-OD1 3.22Å; I109-D132 VanDerWaalsContact CA-OD1 3.28Å; I109-D132 WeakPolarHBondContact CA-OD1 3.43Å; I109-D132 HydrophobicContact CG1-CB 3.96Å; I109-D132 WeakPolarHBondContact CG1-OD1 3.13Å; I109-D132 PolarHBondContact N-OD1 2.75Å; E128-D132 VanDerWaalsContact O-CG 3.28Å; E128-D132 PolarHBondContact O-N 2.82Å; S129-D132 PolarHBondContact O-N 3.15Å; M130-D132 VanDerWaalsContact C-N 3.35Å; M130-D132 PolarHBondContact O-N 3.3Å; D132-I134 VanDerWaalsContact C-N 3.35Å; D132-I134 PolarHBondContact O-N 2.63Å; D132-C135 PolarHBondContact O-N 3.23Å; D132-C135 VanDerWaalsContact O-N 3.14Å; D132-I136 VanDerWaalsContact O-CG1 3.26Å; D132-I136 WeakPolarHBondContact O-CG1 3.38Å; D132-I136 PolarHBondContact O-N 3.39Å; D132-P262 HydrophobicContact CB-CG 4.18Å; D132-P262 WeakPolarHBondContact OD2-CG 3.09Å; D132-R295 IonicContact OD1-NH1 3.57Å; D132-R295 PolarHBondContact OD1-NH1 3.32Å; D132-R295 VanDerWaalsContact OD1-NH1 3.16Å; D132-R295 VanDerWaalsContact OD2-CD 3.27Å; D132-R295 WeakPolarHBondContact OD2-CD 3.46Å; D132-R295 IonicContact OD2-CZ 2.84Å; D132-R295 IonicContact OD2-NE 3.48Å; D132-R295 IonicContact OD2-NH1 2.84Å; D132-R295 PolarHBondContact OD2-NH1 3.34Å
133	R	98.8	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-38.6	-178.6	-71.8	178.8	172.1	-117	-12.9	112	S129 M130 S131 C135 I136 H137 Y244 E256 N260 G261 P262 G343	S129-R133 WeakPolarHBondContact O-CB 3.45Å; S129-R133 WeakPolarHBondContact O-CG 3.33Å; S129-R133 PolarHBondContact O-N 3.05Å; M130-R133 PolarHBondContact O-N 3.19Å; S131-R133 PolarHBondContact O-N 2.84Å; R133-C135 VanDerWaalsContact C-N 3.3Å; R133-C135 PolarHBondContact O-N 2.9Å; R133-I136 PolarHBondContact O-N 2.94Å; R133-H137 WeakPolarHBondContact O-CB 3.12Å; R133-H137 PolarHBondContact O-CD2 2.94Å; R133-H137 VanDerWaalsContact O-CD2 3.23Å; R133-H137 PolarHBondContact O-N 2.94Å; R133-Y244 PolarHBondContact NH1-OH 2.97Å; R133-E256 IonicContact CZ-OE1 3.22Å; R133-E256 VanDerWaalsContact CZ-OE1 3.22Å; R133-E256 IonicContact NH1-OE1 2.71Å; R133-E256 PolarHBondContact NH1-OE1 3.46Å; R133-E256 IonicContact NH2-OE1 2.81Å; R133-E256 PolarHBondContact NH2-OE1 2.97Å; R133-N260 WeakPolarHBondContact CG-O 3.34Å; R133-G261 PolarHBondContact NH2-O 3.36Å; R133-P262 PolarHBondContact NE-O 2.86Å; R133-P262 PolarHBondContact NH2-O 2.03Å; R133-G343 VanDerWaalsContact CD-O 3.26Å; R133-G343 WeakPolarHBondContact CD-O 3.29Å; R133-G343 PolarHBondContact NH1-O 2.97Å
134	I	98.7	Very high	98.2	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-46.1	172.8	-70.5	164.9	0	0	0	110.2	M130 S131 D132 S138 I142 V144 L146 W174 F238 P345 L347	M130-I134 VanDerWaalsContact O-CG1 3.3Å; M130-I134 WeakPolarHBondContact O-CG1 3.41Å; M130-I134 PolarHBondContact O-N 3.34Å; S131-I134 PolarHBondContact O-N 2.68Å; D132-I134 VanDerWaalsContact C-N 3.35Å; D132-I134 PolarHBondContact O-N 2.63Å; I134-S138 WeakPolarHBondContact O-CB 3.22Å; I134-S138 PolarHBondContact O-N 3.34Å; I134-S138 PolarHBondContact O-OG 3.16Å; I134-I142 HydrophobicContact CG2-CB 3.94Å; I134-I142 HydrophobicContact CG2-CG2 3.46Å; I134-I142 VanDerWaalsContact CG2-CG2 3.46Å; I134-V144 HydrophobicContact CB-CG2 4.48Å; I134-V144 HydrophobicContact CD1-CG2 4.08Å; I134-V144 HydrophobicContact CG2-CG2 3.97Å; I134-L146 HydrophobicContact CD1-CD1 3.85Å; I134-L146 HydrophobicContact CD1-CD2 4.13Å; I134-L146 HydrophobicContact CD1-CG 4.15Å; I134-W174 HydrophobicContact CD1-CZ2 4.13Å; I134-W174 HydrophobicContact CG1-CZ2 4.08Å; I134-F238 HydrophobicContact CD1-CB 3.94Å; I134-F238 HydrophobicContact CD1-CD1 4.16Å; I134-F238 HydrophobicContact CD1-CG 4.23Å; I134-P345 HydrophobicContact CG1-CB 3.74Å; I134-L347 HydrophobicContact CG2-CD2 4.43Å
135	C	98.7	Very high	98.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.6	-47.1	177.4	178.6	0	0	0	0	113.1	C106 S131 D132 R133 S138 K139 N140 I142	C106-C135 WeakPolarHBondContact CA-SG 3.33Å; C106-C135 HydrophobicContact CB-CB 3.81Å; C106-C135 WeakPolarHBondContact CB-SG 3.28Å; C106-C135 WeakPolarHBondContact SG-CB 3.43Å; C106-C135 CovalentContact SG-SG 2.04Å; C106-C135 PolarHBondContact SG-SG 3.44Å; S131-C135 PolarHBondContact O-N 2.95Å; S131-C135 VanDerWaalsContact O-N 3.17Å; D132-C135 PolarHBondContact O-N 3.23Å; D132-C135 VanDerWaalsContact O-N 3.14Å; R133-C135 VanDerWaalsContact C-N 3.3Å; R133-C135 PolarHBondContact O-N 2.9Å; C135-S138 PolarHBondContact O-N 3.3Å; C135-S138 PolarHBondContact O-OG 2.87Å; C135-K139 PolarHBondContact O-N 3.16Å; C135-N140 PolarHBondContact O-N 3.42Å; C135-I142 WeakPolarHBondContact CA-O 3.2Å
136	I	98.7	Very high	98.2	Very high	11 Å²	11	34.3 Å²	34.3	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-53.8	-178.3	-70.5	167	0	0	0	110.6	W103 C106 I109 D132 R133 S138 K139	W103-I136 HydrophobicContact CB-CG1 4.15Å; W103-I136 HydrophobicContact CD2-CD1 3.58Å; W103-I136 HydrophobicContact CD2-CG1 3.75Å; W103-I136 HydrophobicContact CD2-CG2 4.31Å; W103-I136 HydrophobicContact CE3-CD1 3.62Å; W103-I136 HydrophobicContact CE3-CG1 4.28Å; W103-I136 HydrophobicContact CG-CD1 4.06Å; W103-I136 HydrophobicContact CG-CG1 3.7Å; W103-I136 HydrophobicContact CG-CG2 4.5Å; W103-I136 HydrophobicContact CH2-CD1 4.46Å; W103-I136 HydrophobicContact CZ2-CD1 4.4Å; W103-I136 HydrophobicContact CZ2-CG2 4.15Å; W103-I136 HydrophobicContact CZ3-CD1 4.08Å; C106-I136 PolarHBondContact SG-N 2.84Å; I109-I136 HydrophobicContact CD1-CD1 4.05Å; I109-I136 HydrophobicContact CD1-CG1 4.32Å; D132-I136 VanDerWaalsContact O-CG1 3.26Å; D132-I136 WeakPolarHBondContact O-CG1 3.38Å; D132-I136 PolarHBondContact O-N 3.39Å; R133-I136 PolarHBondContact O-N 2.94Å; I136-S138 VanDerWaalsContact C-N 3.34Å; I136-S138 PolarHBondContact O-N 3.41Å; I136-K139 PolarHBondContact O-N 2.99Å; I136-K139 VanDerWaalsContact O-N 3.1Å
137	H	98.5	Very high	98.1	Very high	61 Å²	61	34.3 Å²	34.3	28%	0.282	17%	0.168	S	C	.	.	H	α-helix	trans	-73.1	-26.5	-175.3	-74	-85.9	0	0	0	113	R133 K139 N260 P345 L347	R133-H137 WeakPolarHBondContact O-CB 3.12Å; R133-H137 PolarHBondContact O-CD2 2.94Å; R133-H137 VanDerWaalsContact O-CD2 3.23Å; R133-H137 PolarHBondContact O-N 2.94Å; H137-K139 PolarHBondContact O-N 3.4Å; H137-N260 PolarHBondContact CE1-OD1 3.47Å; H137-N260 PolarHBondContact NE2-O 3.03Å; H137-P345 HydrophobicContact CB-CG 3.63Å; H137-L347 HydrophobicContact CB-CD1 3.82Å; H137-L347 WeakPolarHBondContact O-CD1 3.46Å
138	S	98.1	Very high	98.1	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.063	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.4	172.9	73.9	0	0	0	0	113.3	I134 C135 I136 N140 K141 I142	I134-S138 WeakPolarHBondContact O-CB 3.22Å; I134-S138 PolarHBondContact O-N 3.34Å; I134-S138 PolarHBondContact O-OG 3.16Å; C135-S138 PolarHBondContact O-N 3.3Å; C135-S138 PolarHBondContact O-OG 2.87Å; I136-S138 VanDerWaalsContact C-N 3.34Å; I136-S138 PolarHBondContact O-N 3.41Å; S138-N140 VanDerWaalsContact C-N 3.33Å; S138-K141 VanDerWaalsContact O-CB 3.29Å; S138-K141 WeakPolarHBondContact O-CB 3.18Å; S138-K141 VanDerWaalsContact O-CG 3.27Å; S138-K141 WeakPolarHBondContact O-CG 3.47Å; S138-K141 PolarHBondContact O-N 3.29Å; S138-K141 VanDerWaalsContact O-N 3.16Å; S138-K141 PolarHBondContact OG-N 3.17Å; S138-I142 PolarHBondContact OG-N 3.18Å; S138-I142 PolarHBondContact OG-O 3.28Å; S138-I142 VanDerWaalsContact OG-O 3.11Å
139	K	97.1	Very high	98.1	Very high	167 Å²	167	35 Å²	35	73%	0.726	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	50.2	-173.7	-55.6	-179.7	-179.5	-178.6	0	111.2	C135 I136 H137 K141	C135-K139 PolarHBondContact O-N 3.16Å; I136-K139 PolarHBondContact O-N 2.99Å; I136-K139 VanDerWaalsContact O-N 3.1Å; H137-K139 PolarHBondContact O-N 3.4Å; K139-K141 PolarHBondContact O-N 3.39Å
140	N	95.8	Very high	98.1	Very high	78 Å²	78	35 Å²	35	42%	0.417	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	5.8	-176.8	-161.1	32.4	0	0	0	116.1	Y105 C135 S138 I142	Y105-N140 HydrophobicContact CD2-CB 3.65Å; Y105-N140 HydrophobicContact CE2-CB 4.33Å; Y105-N140 HydrophobicContact CG-CB 4.26Å; Y105-N140 PolarHBondContact O-OD1 3.07Å; Y105-N140 VanDerWaalsContact O-OD1 3.05Å; C135-N140 PolarHBondContact O-N 3.42Å; S138-N140 VanDerWaalsContact C-N 3.33Å; N140-I142 PolarHBondContact O-N 3.2Å
141	K	97.3	Very high	98.1	Very high	184 Å²	184	35 Å²	35	80%	0.8	17%	0.172	S	C	*	.	S	Bend	trans	-68.8	-24.4	174.9	-67.2	177.9	179.9	-176.8	0	112.2	S138 K139	S138-K141 VanDerWaalsContact O-CB 3.29Å; S138-K141 WeakPolarHBondContact O-CB 3.18Å; S138-K141 VanDerWaalsContact O-CG 3.27Å; S138-K141 WeakPolarHBondContact O-CG 3.47Å; S138-K141 PolarHBondContact O-N 3.29Å; S138-K141 VanDerWaalsContact O-N 3.16Å; S138-K141 PolarHBondContact OG-N 3.17Å; K139-K141 PolarHBondContact O-N 3.39Å
142	I	97.3	Very high	98.1	Very high	50 Å²	50	35 Å²	35	26%	0.256	17%	0.172	S	C	.	.			trans	-132.8	109.5	177.9	-54.9	177.9	0	0	0	107.4	I134 C135 S138 N140 V144 F238 L347	I134-I142 HydrophobicContact CG2-CB 3.94Å; I134-I142 HydrophobicContact CG2-CG2 3.46Å; I134-I142 VanDerWaalsContact CG2-CG2 3.46Å; C135-I142 WeakPolarHBondContact CA-O 3.2Å; S138-I142 PolarHBondContact OG-N 3.18Å; S138-I142 PolarHBondContact OG-O 3.28Å; S138-I142 VanDerWaalsContact OG-O 3.11Å; N140-I142 PolarHBondContact O-N 3.2Å; I142-V144 HydrophobicContact CG2-CG1 3.96Å; I142-V144 HydrophobicContact CG2-CG2 4.36Å; I142-F238 HydrophobicContact CG2-CE1 3.66Å; I142-F238 HydrophobicContact CG2-CZ 4.28Å; I142-L347 HydrophobicContact CD1-CD2 4.28Å
143	S	96.5	Very high	98.1	Very high	58 Å²	58	35.8 Å²	35.8	41%	0.406	18%	0.177	S	C	.	.			trans	-118.6	115.3	170.7	-175.2	0	0	0	0	107.7
144	V	97	Very high	98	Very high	27 Å²	27	36.5 Å²	36.5	16%	0.164	18%	0.182	C	C	.	.			trans	-142.1	155.5	-174.7	-65.4	0	0	0	0	109.9	S131 I134 I142 L146 T181 F238	S131-V144 VanDerWaalsContact CB-O 3.3Å; S131-V144 WeakPolarHBondContact CB-O 3.39Å; I134-V144 HydrophobicContact CB-CG2 4.48Å; I134-V144 HydrophobicContact CD1-CG2 4.08Å; I134-V144 HydrophobicContact CG2-CG2 3.97Å; I142-V144 HydrophobicContact CG2-CG1 3.96Å; I142-V144 HydrophobicContact CG2-CG2 4.36Å; V144-L146 HydrophobicContact CG2-CD2 4.14Å; V144-T181 HydrophobicContact CB-CG2 3.99Å; V144-T181 HydrophobicContact CG1-CG2 4.08Å; V144-F238 HydrophobicContact CG1-CE1 4.33Å; V144-F238 HydrophobicContact CG1-CE2 4.17Å; V144-F238 HydrophobicContact CG1-CZ 3.77Å; V144-F238 HydrophobicContact CG2-CE1 4.39Å; V144-F238 HydrophobicContact CG2-CZ 4.39Å
145	E	98	Very high	98	Very high	64 Å²	64	36.8 Å²	36.8	30%	0.299	18%	0.184	S	C	.	.			trans	-106.6	121.7	166.2	-64.5	177.9	84.3	0	0	108	T181 G182	E145-T181 CarbonylContact O-C 3.54Å; E145-T181 WeakPolarHBondContact O-CA 3.44Å; E145-T181 WeakPolarHBondContact O-CB 3.48Å; E145-G182 PolarHBondContact O-N 3.2Å
146	L	98.7	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-81.2	142.7	176.3	-63.3	-170.7	0	0	0	111.3	R113 V127 M130 S131 I134 V144 A148 I179 G182 F238	R113-L146 PolarHBondContact NH1-O 2.75Å; V127-L146 HydrophobicContact CB-CB 3.93Å; V127-L146 HydrophobicContact CG1-CB 4.3Å; M130-L146 HydrophobicContact CB-CD1 3.64Å; M130-L146 HydrophobicContact SD-CD1 4.38Å; S131-L146 PolarHBondContact OG-N 3.49Å; I134-L146 HydrophobicContact CD1-CD1 3.85Å; I134-L146 HydrophobicContact CD1-CD2 4.13Å; I134-L146 HydrophobicContact CD1-CG 4.15Å; V144-L146 HydrophobicContact CG2-CD2 4.14Å; L146-A148 PolarHBondContact O-N 2.86Å; L146-I179 HydrophobicContact CB-CG2 4.05Å; L146-I179 HydrophobicContact CD1-CB 4.36Å; L146-G182 CarbonylContact C-O 3.54Å; L146-F238 HydrophobicContact CD2-CB 3.88Å; L146-F238 HydrophobicContact CD2-CD2 3.95Å; L146-F238 HydrophobicContact CD2-CG 4.09Å
147	S	98.8	Very high	97.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.256	C	S	.	.			trans	-71.7	114.3	-174.9	177.8	0	0	0	0	111.7	I149 N150 L151 V180 Q192	S147-I149 VanDerWaalsContact C-N 3.3Å; S147-I149 WeakPolarHBondContact OG-CG2 3.16Å; S147-I149 PolarHBondContact OG-N 2.99Å; S147-N150 WeakPolarHBondContact OG-CB 3.37Å; S147-N150 PolarHBondContact OG-N 3.14Å; S147-L151 PolarHBondContact O-N 2.88Å; S147-V180 VanDerWaalsContact CB-O 3.3Å; S147-V180 WeakPolarHBondContact CB-O 3.24Å; S147-V180 PolarHBondContact N-O 3.5Å; S147-Q192 VanDerWaalsContact CB-O 3.3Å; S147-Q192 WeakPolarHBondContact CB-O 3.43Å; S147-Q192 WeakPolarHBondContact OG-CB 3.2Å; S147-Q192 PolarHBondContact OG-O 2.81Å
148	A	98.6	Very high	97.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-38.5	171.1	0	0	0	0	0	111.2	F124 V127 L146 L151 L152 Y194	F124-A148 HydrophobicContact CD2-CB 3.94Å; F124-A148 HydrophobicContact CE1-CB 4.31Å; F124-A148 HydrophobicContact CE2-CB 3.61Å; F124-A148 HydrophobicContact CG-CB 4.42Å; F124-A148 HydrophobicContact CZ-CB 3.81Å; V127-A148 HydrophobicContact CG2-CB 4.02Å; L146-A148 PolarHBondContact O-N 2.86Å; A148-L151 PolarHBondContact O-N 2.77Å; A148-L152 WeakPolarHBondContact O-CB 3.09Å; A148-L152 PolarHBondContact O-N 3.49Å; A148-Y194 HydrophobicContact CB-CD2 4.01Å; A148-Y194 HydrophobicContact CB-CE2 4.29Å
149	I	98.3	Very high	97.7	Very high	17 Å²	17	50 Å²	50	9%	0.087	25%	0.251	C	S	.	.	H	α-helix	trans	-69.6	-36.9	-178.3	-173.9	60.5	0	0	0	112.4	S147 L151 L152 S153 Q192 P193 Y194 P195 P219	S147-I149 VanDerWaalsContact C-N 3.3Å; S147-I149 WeakPolarHBondContact OG-CG2 3.16Å; S147-I149 PolarHBondContact OG-N 2.99Å; I149-L151 PolarHBondContact O-N 3.42Å; I149-L152 HydrophobicContact CD1-CD2 3.91Å; I149-L152 PolarHBondContact O-N 2.86Å; I149-S153 VanDerWaalsContact CD1-OG 3.27Å; I149-S153 WeakPolarHBondContact CD1-OG 3.05Å; I149-S153 WeakPolarHBondContact O-CB 3.24Å; I149-S153 PolarHBondContact O-N 3.18Å; I149-Q192 HydrophobicContact CG2-CB 4Å; I149-Q192 WeakPolarHBondContact CG2-O 3.3Å; I149-P193 WeakPolarHBondContact CG2-O 3.4Å; I149-Y194 HydrophobicContact CB-CD2 4.09Å; I149-P195 HydrophobicContact CD1-CG 3.91Å; I149-P195 HydrophobicContact CG1-CG 4Å; I149-P219 HydrophobicContact CD1-CB 4.1Å; I149-P219 HydrophobicContact CD1-CG 3.67Å
150	N	98.7	Very high	97.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-51.1	175.4	-175.5	-108.5	0	0	0	111	S147 C154 I179 V180 Q192 Y233	S147-N150 WeakPolarHBondContact OG-CB 3.37Å; S147-N150 PolarHBondContact OG-N 3.14Å; N150-C154 WeakPolarHBondContact O-CB 3.42Å; N150-C154 PolarHBondContact O-N 3.03Å; N150-C154 PolarHBondContact O-SG 2.6Å; N150-I179 HydrophobicContact CB-CG2 4.27Å; N150-V180 HydrophobicContact CB-CG2 3.83Å; N150-Q192 PolarHBondContact ND2-OE1 3.34Å; N150-Y233 WeakPolarHBondContact ND2-CE2 3.27Å; N150-Y233 PolarHBondContact ND2-OH 3.15Å
151	L	98.8	Very high	97.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-47.3	177	173.8	62.4	0	0	0	111.6	W122 A123 A126 V127 S147 A148 I149 S153 C155 A170 Y173 I179	W122-L151 HydrophobicContact CH2-CG 4.3Å; W122-L151 HydrophobicContact CZ3-CD1 4.16Å; W122-L151 HydrophobicContact CZ3-CD2 4.22Å; W122-L151 HydrophobicContact CZ3-CG 3.9Å; A123-L151 HydrophobicContact CB-CD2 3.83Å; A123-L151 HydrophobicContact CB-CG 4.17Å; A126-L151 HydrophobicContact CB-CD2 4.01Å; V127-L151 HydrophobicContact CG1-CB 4.18Å; V127-L151 HydrophobicContact CG1-CD2 3.7Å; S147-L151 PolarHBondContact O-N 2.88Å; A148-L151 PolarHBondContact O-N 2.77Å; I149-L151 PolarHBondContact O-N 3.42Å; L151-S153 PolarHBondContact O-N 3.26Å; L151-C155 HydrophobicContact CD1-CB 4.01Å; L151-C155 VanDerWaalsContact O-CB 3.23Å; L151-C155 WeakPolarHBondContact O-CB 3.41Å; L151-C155 PolarHBondContact O-N 3.21Å; L151-C155 VanDerWaalsContact O-N 3.16Å; L151-A170 HydrophobicContact CD1-CB 3.98Å; L151-A170 HydrophobicContact CD2-CB 3.72Å; L151-A170 HydrophobicContact CG-CB 4.36Å; L151-Y173 HydrophobicContact CD1-CD1 3.62Å; L151-Y173 HydrophobicContact CD1-CE1 4.38Å; L151-Y173 HydrophobicContact CD1-CG 4.02Å; L151-I179 HydrophobicContact CB-CD1 4.08Å; L151-I179 HydrophobicContact CD1-CD1 4.12Å; L151-I179 HydrophobicContact CD2-CD1 4.24Å; L151-I179 HydrophobicContact CG-CD1 4.37Å
152	L	98.4	Very high	97.7	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-59.1	-45.3	-176.7	-176.7	73.9	0	0	0	112.8	S120 W122 A123 A148 I149 G161 Y194 T218	S120-L152 VanDerWaalsContact CB-CD1 3.45Å; W122-L152 HydrophobicContact CZ2-CD1 3.76Å; A123-L152 HydrophobicContact CB-CB 4.37Å; A123-L152 HydrophobicContact CB-CD1 4.34Å; A148-L152 WeakPolarHBondContact O-CB 3.09Å; A148-L152 PolarHBondContact O-N 3.49Å; I149-L152 HydrophobicContact CD1-CD2 3.91Å; I149-L152 PolarHBondContact O-N 2.86Å; L152-G161 WeakPolarHBondContact CD1-O 3.48Å; L152-Y194 HydrophobicContact CD2-CE2 4.33Å; L152-T218 HydrophobicContact CG-CG2 4.5Å
153	S	98.2	Very high	97.7	Very high	17 Å²	17	42 Å²	42	12%	0.119	21%	0.207	C	C	.	.	H	α-helix	trans	-90.5	-34.7	-173.5	-70.5	0	0	0	0	113.1	I149 L151 P219	I149-S153 VanDerWaalsContact CD1-OG 3.27Å; I149-S153 WeakPolarHBondContact CD1-OG 3.05Å; I149-S153 WeakPolarHBondContact O-CB 3.24Å; I149-S153 PolarHBondContact O-N 3.18Å; L151-S153 PolarHBondContact O-N 3.26Å; S153-P219 VanDerWaalsContact CB-O 3.25Å; S153-P219 WeakPolarHBondContact CB-O 3.35Å; S153-P219 PolarHBondContact OG-O 3.19Å
154	C	98.5	Very high	97.8	Very high	15 Å²	15	39.3 Å²	39.3	10%	0.101	19%	0.188	C	C	.	.	H	α-helix	trans	-93.5	-22.7	-172.8	-59.1	0	0	0	0	114.3	N150 T156 Y173 C221	N150-C154 WeakPolarHBondContact O-CB 3.42Å; N150-C154 PolarHBondContact O-N 3.03Å; N150-C154 PolarHBondContact O-SG 2.6Å; C154-T156 VanDerWaalsContact C-N 3.35Å; C154-T156 PolarHBondContact O-N 3.1Å; C154-Y173 VanDerWaalsContact CB-OH 3.25Å; C154-Y173 WeakPolarHBondContact CB-OH 3.42Å; C154-C221 WeakPolarHBondContact CA-SG 3.39Å; C154-C221 HydrophobicContact CB-CB 3.89Å; C154-C221 WeakPolarHBondContact CB-SG 3.49Å; C154-C221 WeakPolarHBondContact SG-CB 3.43Å; C154-C221 CovalentContact SG-SG 2.04Å; C154-C221 PolarHBondContact SG-SG 3.44Å
155	C	98.5	Very high	97.8	Very high	9 Å²	9	38 Å²	38	6%	0.061	18%	0.18	C	C	.	.			trans	-80.9	80.2	176.9	-172	0	0	0	0	112.3	L151 R157 C158 Y173	L151-C155 HydrophobicContact CD1-CB 4.01Å; L151-C155 VanDerWaalsContact O-CB 3.23Å; L151-C155 WeakPolarHBondContact O-CB 3.41Å; L151-C155 PolarHBondContact O-N 3.21Å; L151-C155 VanDerWaalsContact O-N 3.16Å; C155-R157 PolarHBondContact O-N 3.28Å; C155-R157 VanDerWaalsContact O-N 3.09Å; C155-C158 HydrophobicContact CB-CB 3.65Å; C155-C158 WeakPolarHBondContact CB-SG 3.04Å; C155-C158 WeakPolarHBondContact O-CB 3.34Å; C155-C158 PolarHBondContact O-N 3.03Å; C155-C158 WeakPolarHBondContact SG-CB 3.28Å; C155-C158 PolarHBondContact SG-N 3.07Å; C155-C158 CovalentContact SG-SG 2.02Å; C155-C158 PolarHBondContact SG-SG 3.45Å; C155-Y173 HydrophobicContact CB-CD1 4.34Å; C155-Y173 HydrophobicContact CB-CD2 3.48Å; C155-Y173 VanDerWaalsContact CB-CD2 3.48Å; C155-Y173 HydrophobicContact CB-CE2 3.87Å; C155-Y173 HydrophobicContact CB-CG 3.74Å; C155-Y173 VanDerWaalsContact SG-CD2 3.51Å
156	T	96	Very high	97.9	Very high	124 Å²	124	36.4 Å²	36.4	76%	0.761	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.6	179.2	57	0	0	0	0	114.4	C154	C154-T156 VanDerWaalsContact C-N 3.35Å; C154-T156 PolarHBondContact O-N 3.1Å
157	R	96.5	Very high	97.9	Very high	210 Å²	210	37 Å²	37	79%	0.792	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	-11	176.7	-63.4	-176.8	-179.4	178.4	1.6	113.9	C155	C155-R157 PolarHBondContact O-N 3.28Å; C155-R157 VanDerWaalsContact O-N 3.09Å
158	C	97.9	Very high	97.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-25.6	-179.2	-68.2	0	0	0	0	112	W122 C155 G165 I166 M169	W122-C158 HydrophobicContact CE3-CB 4.26Å; W122-C158 HydrophobicContact CH2-CB 3.47Å; W122-C158 VanDerWaalsContact CH2-CB 3.47Å; W122-C158 HydrophobicContact CZ2-CB 4.4Å; W122-C158 HydrophobicContact CZ3-CB 3.39Å; C155-C158 HydrophobicContact CB-CB 3.65Å; C155-C158 WeakPolarHBondContact CB-SG 3.04Å; C155-C158 WeakPolarHBondContact O-CB 3.34Å; C155-C158 PolarHBondContact O-N 3.03Å; C155-C158 WeakPolarHBondContact SG-CB 3.28Å; C155-C158 PolarHBondContact SG-N 3.07Å; C155-C158 CovalentContact SG-SG 2.02Å; C155-C158 PolarHBondContact SG-SG 3.45Å; C158-G165 CarbonylContact O-C 3.59Å; C158-G165 WeakPolarHBondContact O-CA 3.43Å; C158-I166 PolarHBondContact O-N 2.86Å; C158-M169 HydrophobicContact CB-CB 4.18Å; C158-M169 PolarHBondContact SG-O 3.33Å; C158-M169 VanDerWaalsContact SG-O 3.38Å
159	G	96.1	Very high	97.8	Very high	23 Å²	23	39.1 Å²	39.1	24%	0.237	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	150.5	-135.4	179.7	0	0	0	0	0	112
160	F	97.2	Very high	97.9	Very high	124 Å²	124	38.3 Å²	38.3	54%	0.544	18%	0.183	S	C	.	.			trans	-118.4	27.5	-169.8	-52.8	-71	0	0	0	113	I70 C162 R163 G164 T218	I70-F160 HydrophobicContact CD1-CD2 3.82Å; I70-F160 HydrophobicContact CD1-CE2 3.99Å; F160-C162 PolarHBondContact O-N 2.85Å; F160-R163 HydrophobicContact CB-CB 3.79Å; F160-R163 PolarHBondContact O-N 2.85Å; F160-R163 VanDerWaalsContact O-N 3.1Å; F160-G164 CarbonylContact C-O 3.3Å; F160-G164 WeakPolarHBondContact CA-O 3.34Å; F160-G164 PolarHBondContact N-O 3.28Å; F160-T218 PolarHBondContact O-OG1 3.42Å
161	G	97.3	Very high	97.9	Very high	4 Å²	4	38.2 Å²	38.2	4%	0.041	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	63.1	-118.9	177.8	0	0	0	0	0	112.4	W122 L152 R163 G164 T218	W122-G161 PolarHBondContact NE1-O 2.89Å; L152-G161 WeakPolarHBondContact CD1-O 3.48Å; G161-R163 PolarHBondContact O-N 3.05Å; G161-G164 PolarHBondContact N-O 3.17Å; G161-G164 PolarHBondContact O-N 2.88Å; G161-T218 WeakPolarHBondContact CA-OG1 3.24Å
162	C	97.3	Very high	97.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.007	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64.9	-13.1	175.8	-71.1	0	0	0	0	114.2	C118 G119 F160 Y215 F216 T218	C118-C162 HydrophobicContact CB-CB 3.92Å; C118-C162 WeakPolarHBondContact CB-SG 3.34Å; C118-C162 WeakPolarHBondContact SG-CA 3.29Å; C118-C162 WeakPolarHBondContact SG-CB 3.42Å; C118-C162 CovalentContact SG-SG 2.03Å; C118-C162 PolarHBondContact SG-SG 3.38Å; G119-C162 WeakPolarHBondContact CA-O 3.41Å; G119-C162 PolarHBondContact N-O 2.03Å; F160-C162 PolarHBondContact O-N 2.85Å; C162-Y215 HydrophobicContact CB-CE2 4.3Å; C162-Y215 WeakPolarHBondContact CB-OH 3.49Å; C162-Y215 PolarHBondContact O-OH 3.22Å; C162-F216 WeakPolarHBondContact CB-O 3.37Å; C162-T218 PolarHBondContact N-OG1 3.12Å
163	R	96.8	Very high	97.9	Very high	183 Å²	183	40.3 Å²	40.3	69%	0.691	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-91.5	13.8	172	-60.9	-176.2	-72.6	-172	-2.7	112.8	F160 G161 Y215	F160-R163 HydrophobicContact CB-CB 3.79Å; F160-R163 PolarHBondContact O-N 2.85Å; F160-R163 VanDerWaalsContact O-N 3.1Å; G161-R163 PolarHBondContact O-N 3.05Å; R163-Y215 WeakPolarHBondContact CG-OH 3.25Å; R163-Y215 PolarHBondContact N-OH 3.16Å
164	G	97.9	Very high	97.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.01	19%	0.187	C	C	.	.			trans	101.2	167.4	176.2	0	0	0	0	0	114.9	G68 F160 G161	G68-G164 CarbonylContact O-C 3.56Å; G68-G164 VanDerWaalsContact O-C 3.3Å; G68-G164 WeakPolarHBondContact O-CA 3.22Å; F160-G164 CarbonylContact C-O 3.3Å; F160-G164 WeakPolarHBondContact CA-O 3.34Å; F160-G164 PolarHBondContact N-O 3.28Å; G161-G164 PolarHBondContact N-O 3.17Å; G161-G164 PolarHBondContact O-N 2.88Å
165	G	98.3	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-167.6	174.7	-174.2	0	0	0	0	0	112.1	G68 I70 C158 P167	G68-G165 PolarHBondContact O-N 2.82Å; I70-G165 PolarHBondContact N-O 3.42Å; C158-G165 CarbonylContact O-C 3.59Å; C158-G165 WeakPolarHBondContact O-CA 3.43Å; G165-P167 WeakPolarHBondContact O-CD 3.02Å
166	I	98.6	Very high	97.9	Very high	30 Å²	30	48.6 Å²	48.6	15%	0.154	22%	0.221	C	C	.	.			trans	-102	111.8	-170.4	-61.1	167.9	0	0	0	108	I70 E72 C158 G168 M169 A170	I70-I166 HydrophobicContact CB-CG1 3.83Å; I70-I166 HydrophobicContact CG2-CD1 4.44Å; I70-I166 HydrophobicContact CG2-CG1 3.9Å; E72-I166 VanDerWaalsContact CD-CG2 3.48Å; E72-I166 HydrophobicContact CG-CG2 3.43Å; E72-I166 VanDerWaalsContact CG-CG2 3.43Å; C158-I166 PolarHBondContact O-N 2.86Å; I166-G168 VanDerWaalsContact C-N 3.32Å; I166-G168 PolarHBondContact O-N 2.77Å; I166-M169 HydrophobicContact CB-CB 4.08Å; I166-M169 HydrophobicContact CB-CG 3.88Å; I166-M169 HydrophobicContact CD1-CG 4.21Å; I166-M169 HydrophobicContact CG2-CB 4.24Å; I166-M169 HydrophobicContact CG2-CG 3.79Å; I166-M169 PolarHBondContact O-N 2.82Å; I166-A170 PolarHBondContact O-N 2.82Å
167	P	98.7	Very high	98	Very high	12 Å²	12	47.4 Å²	47.4	8%	0.078	21%	0.206	C	C	.	.	H	α-helix	trans	-49.5	-49.4	-180	-33.2	38.4	0	0	0	113.2	V69 W122 G165 M169 A170 W171 E264 A293 T341	V69-P167 HydrophobicContact CG1-CG 3.91Å; V69-P167 HydrophobicContact CG2-CG 4.15Å; W122-P167 HydrophobicContact CB-CG 4.21Å; G165-P167 WeakPolarHBondContact O-CD 3.02Å; P167-M169 VanDerWaalsContact C-N 3.28Å; P167-M169 PolarHBondContact O-N 2.9Å; P167-A170 VanDerWaalsContact O-CB 3.25Å; P167-A170 WeakPolarHBondContact O-CB 3.49Å; P167-A170 PolarHBondContact O-N 2.95Å; P167-W171 VanDerWaalsContact O-CD1 3.3Å; P167-W171 PolarHBondContact O-N 3.22Å; P167-E264 HydrophobicContact CB-CG 4.45Å; P167-A293 HydrophobicContact CG-CB 4.37Å; P167-T341 HydrophobicContact CB-CG2 3.96Å
168	G	98.4	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.5	-36.7	-179.6	0	0	0	0	0	114.1	R81 I166 A170 W171 D172	R81-G168 PolarHBondContact NE-O 3.25Å; R81-G168 VanDerWaalsContact NE-O 3.15Å; I166-G168 VanDerWaalsContact C-N 3.32Å; I166-G168 PolarHBondContact O-N 2.77Å; G168-A170 VanDerWaalsContact C-N 3.29Å; G168-A170 PolarHBondContact O-N 3.41Å; G168-W171 PolarHBondContact O-N 3.35Å; G168-D172 PolarHBondContact O-N 3.39Å
169	M	98.5	Very high	98.1	Very high	46 Å²	46	37.4 Å²	37.4	23%	0.227	17%	0.169	C	C	.	.	H	α-helix	trans	-69.4	-27.6	177.5	-68.8	-67.6	-156.1	0	0	112.2	L80 C158 I166 P167 W171 D172 Y173	L80-M169 HydrophobicContact CD1-CE 4.02Å; C158-M169 HydrophobicContact CB-CB 4.18Å; C158-M169 PolarHBondContact SG-O 3.33Å; C158-M169 VanDerWaalsContact SG-O 3.38Å; I166-M169 HydrophobicContact CB-CB 4.08Å; I166-M169 HydrophobicContact CB-CG 3.88Å; I166-M169 HydrophobicContact CD1-CG 4.21Å; I166-M169 HydrophobicContact CG2-CB 4.24Å; I166-M169 HydrophobicContact CG2-CG 3.79Å; I166-M169 PolarHBondContact O-N 2.82Å; P167-M169 VanDerWaalsContact C-N 3.28Å; P167-M169 PolarHBondContact O-N 2.9Å; M169-W171 VanDerWaalsContact C-N 3.33Å; M169-D172 PolarHBondContact O-N 3.44Å; M169-Y173 PolarHBondContact O-N 2.75Å
170	A	98.8	Very high	98.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-40.4	173.6	0	0	0	0	0	112	W122 A126 L151 I166 P167 G168 D172 Y173 W174	W122-A170 HydrophobicContact CE3-CB 4.03Å; W122-A170 HydrophobicContact CZ3-CB 4.03Å; A126-A170 HydrophobicContact CB-CB 3.68Å; L151-A170 HydrophobicContact CD1-CB 3.98Å; L151-A170 HydrophobicContact CD2-CB 3.72Å; L151-A170 HydrophobicContact CG-CB 4.36Å; I166-A170 PolarHBondContact O-N 2.82Å; P167-A170 VanDerWaalsContact O-CB 3.25Å; P167-A170 WeakPolarHBondContact O-CB 3.49Å; P167-A170 PolarHBondContact O-N 2.95Å; G168-A170 VanDerWaalsContact C-N 3.29Å; G168-A170 PolarHBondContact O-N 3.41Å; A170-D172 VanDerWaalsContact C-N 3.33Å; A170-Y173 PolarHBondContact O-N 3.38Å; A170-W174 PolarHBondContact O-N 2.93Å
171	W	98.8	Very high	98.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67	-36.4	174.3	-68.4	84	0	0	0	112.1	M130 P167 G168 M169 W174 K175 S243 E264 T341	M130-W171 HydrophobicContact CE-CB 4.28Å; M130-W171 HydrophobicContact CE-CD2 3.6Å; M130-W171 HydrophobicContact CE-CE3 3.77Å; M130-W171 HydrophobicContact CE-CG 3.84Å; M130-W171 HydrophobicContact CE-CZ3 4.35Å; M130-W171 HydrophobicContact CG-CE3 4.12Å; M130-W171 HydrophobicContact CG-CH2 4Å; M130-W171 HydrophobicContact CG-CZ2 4.48Å; M130-W171 HydrophobicContact CG-CZ3 3.79Å; P167-W171 VanDerWaalsContact O-CD1 3.3Å; P167-W171 PolarHBondContact O-N 3.22Å; G168-W171 PolarHBondContact O-N 3.35Å; M169-W171 VanDerWaalsContact C-N 3.33Å; W171-W174 AromaticContact CE3-CE3 3.88Å; W171-W174 HydrophobicContact CE3-CE3 3.88Å; W171-W174 AromaticContact CE3-CZ3 3.96Å; W171-W174 HydrophobicContact CE3-CZ3 3.96Å; W171-W174 HydrophobicContact CZ3-CE3 4.14Å; W171-W174 AromaticContact CZ3-CZ3 3.81Å; W171-W174 HydrophobicContact CZ3-CZ3 3.81Å; W171-W174 PolarHBondContact O-N 2.74Å; W171-K175 PolarHBondContact O-N 2.72Å; W171-S243 VanDerWaalsContact CB-OG 3.24Å; W171-S243 WeakPolarHBondContact CB-OG 3.45Å; W171-E264 HydrophobicContact CZ2-CB 4Å; W171-E264 PolarHBondContact NE1-OE2 2.87Å; W171-T341 VanDerWaalsContact CD1-CG2 3.47Å; W171-T341 HydrophobicContact CG-CG2 4.47Å
172	D	98.7	Very high	98.4	Very high	23 Å²	23	30.6 Å²	30.6	12%	0.123	13%	0.132	C	C	.	.	H	α-helix	trans	-64.2	-44.7	173.6	-60.1	-31.9	0	0	0	110.9	R81 G168 M169 A170 W174 K175 Y176 S243	R81-D172 IonicContact CZ-OD2 3.4Å; R81-D172 IonicContact NE-OD1 3.27Å; R81-D172 PolarHBondContact NE-OD1 2.96Å; R81-D172 IonicContact NE-OD2 2.86Å; R81-D172 PolarHBondContact NE-OD2 3.48Å; R81-D172 IonicContact NH2-OD2 3.03Å; R81-D172 PolarHBondContact NH2-OD2 3.03Å; G168-D172 PolarHBondContact O-N 3.39Å; M169-D172 PolarHBondContact O-N 3.44Å; A170-D172 VanDerWaalsContact C-N 3.33Å; D172-W174 PolarHBondContact O-N 3.13Å; D172-K175 WeakPolarHBondContact O-CB 3.27Å; D172-K175 PolarHBondContact O-N 3.33Å; D172-K175 VanDerWaalsContact O-N 3.15Å; D172-Y176 HydrophobicContact CB-CD2 4.36Å; D172-Y176 HydrophobicContact CB-CE2 4.41Å; D172-Y176 WeakPolarHBondContact O-CD2 3.43Å; D172-Y176 PolarHBondContact O-N 3.01Å; D172-S243 PolarHBondContact N-OG 3.27Å; D172-S243 WeakPolarHBondContact OD1-CB 3.48Å; D172-S243 PolarHBondContact OD1-OG 3.39Å
173	Y	98.8	Very high	98.4	Very high	24 Å²	24	30.5 Å²	30.5	9%	0.094	13%	0.131	C	C	.	.	H	α-helix	trans	-59.6	-45.5	175.5	-176	-91.3	0	0	0	111.8	L151 C154 C155 M169 A170 K175 Y176 E177 G178 I179	L151-Y173 HydrophobicContact CD1-CD1 3.62Å; L151-Y173 HydrophobicContact CD1-CE1 4.38Å; L151-Y173 HydrophobicContact CD1-CG 4.02Å; C154-Y173 VanDerWaalsContact CB-OH 3.25Å; C154-Y173 WeakPolarHBondContact CB-OH 3.42Å; C155-Y173 HydrophobicContact CB-CD1 4.34Å; C155-Y173 HydrophobicContact CB-CD2 3.48Å; C155-Y173 VanDerWaalsContact CB-CD2 3.48Å; C155-Y173 HydrophobicContact CB-CE2 3.87Å; C155-Y173 HydrophobicContact CB-CG 3.74Å; C155-Y173 VanDerWaalsContact SG-CD2 3.51Å; M169-Y173 PolarHBondContact O-N 2.75Å; A170-Y173 PolarHBondContact O-N 3.38Å; Y173-K175 VanDerWaalsContact C-N 3.26Å; Y173-K175 PolarHBondContact O-N 3.35Å; Y173-Y176 PolarHBondContact O-N 2.84Å; Y173-E177 HydrophobicContact CD1-CB 4.27Å; Y173-E177 HydrophobicContact CD2-CB 3.81Å; Y173-E177 HydrophobicContact CD2-CG 3.75Å; Y173-E177 HydrophobicContact CE1-CB 4.03Å; Y173-E177 HydrophobicContact CE2-CB 3.55Å; Y173-E177 HydrophobicContact CE2-CG 3.64Å; Y173-E177 HydrophobicContact CG-CB 4.17Å; Y173-E177 HydrophobicContact CG-CG 4.48Å; Y173-E177 WeakPolarHBondContact O-CA 3.5Å; Y173-E177 WeakPolarHBondContact O-CB 3.26Å; Y173-E177 PolarHBondContact O-N 2.88Å; Y173-G178 WeakPolarHBondContact CE1-O 3.33Å; Y173-G178 PolarHBondContact O-N 2.77Å; Y173-G178 VanDerWaalsContact O-N 3.13Å; Y173-I179 HydrophobicContact CD1-CD1 4.33Å; Y173-I179 HydrophobicContact CD1-CG1 3.88Å; Y173-I179 HydrophobicContact CE1-CG1 3.94Å
174	W	98.8	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.9	-38.7	175.8	179.6	51.9	0	0	0	112.5	M130 I134 A170 W171 D172 G178 I179 F238 Y239 G240 P345	M130-W174 HydrophobicContact CB-CD2 4.32Å; M130-W174 HydrophobicContact CB-CH2 4.37Å; M130-W174 HydrophobicContact CB-CZ2 4.16Å; M130-W174 HydrophobicContact CE-CB 3.51Å; M130-W174 HydrophobicContact CE-CD2 4.13Å; M130-W174 HydrophobicContact CE-CE3 4.08Å; M130-W174 HydrophobicContact CE-CG 3.94Å; M130-W174 HydrophobicContact CG-CD2 3.73Å; M130-W174 HydrophobicContact CG-CE3 3.74Å; M130-W174 HydrophobicContact CG-CG 4.19Å; M130-W174 HydrophobicContact CG-CH2 4.28Å; M130-W174 HydrophobicContact CG-CZ2 4.33Å; M130-W174 HydrophobicContact CG-CZ3 4.03Å; M130-W174 HydrophobicContact SD-CB 3.68Å; M130-W174 HydrophobicContact SD-CD2 3.77Å; M130-W174 HydrophobicContact SD-CE3 4.17Å; M130-W174 HydrophobicContact SD-CG 3.56Å; M130-W174 VanDerWaalsContact SD-CG 3.56Å; I134-W174 HydrophobicContact CD1-CZ2 4.13Å; I134-W174 HydrophobicContact CG1-CZ2 4.08Å; A170-W174 PolarHBondContact O-N 2.93Å; W171-W174 AromaticContact CE3-CE3 3.88Å; W171-W174 HydrophobicContact CE3-CE3 3.88Å; W171-W174 AromaticContact CE3-CZ3 3.96Å; W171-W174 HydrophobicContact CE3-CZ3 3.96Å; W171-W174 HydrophobicContact CZ3-CE3 4.14Å; W171-W174 AromaticContact CZ3-CZ3 3.81Å; W171-W174 HydrophobicContact CZ3-CZ3 3.81Å; W171-W174 PolarHBondContact O-N 2.74Å; D172-W174 PolarHBondContact O-N 3.13Å; W174-G178 WeakPolarHBondContact O-CA 3.48Å; W174-G178 PolarHBondContact O-N 3.24Å; W174-I179 HydrophobicContact CB-CD1 3.84Å; W174-I179 HydrophobicContact CB-CG1 4.42Å; W174-I179 HydrophobicContact CG-CD1 4.21Å; W174-F238 PolarHBondContact NE1-O 3.36Å; W174-F238 VanDerWaalsContact NE1-O 3.15Å; W174-Y239 WeakPolarHBondContact O-CA 3.45Å; W174-G240 VanDerWaalsContact CD2-CA 3.47Å; W174-G240 VanDerWaalsContact CE2-N 3.32Å; W174-G240 VanDerWaalsContact CE3-CA 3.44Å; W174-G240 PolarHBondContact O-N 3.34Å; W174-P345 HydrophobicContact CH2-CB 3.78Å; W174-P345 HydrophobicContact CZ2-CB 3.89Å
175	K	98.5	Very high	98.2	Very high	68 Å²	68	25 Å²	25	30%	0.296	12%	0.117	S	C	.	.	H	α-helix	trans	-66.4	-47.5	176.6	-179.7	-171.1	175.1	-169	0	112.7	W171 D172 Y173 G240	W171-K175 PolarHBondContact O-N 2.72Å; D172-K175 WeakPolarHBondContact O-CB 3.27Å; D172-K175 PolarHBondContact O-N 3.33Å; D172-K175 VanDerWaalsContact O-N 3.15Å; Y173-K175 VanDerWaalsContact C-N 3.26Å; Y173-K175 PolarHBondContact O-N 3.35Å; K175-G240 WeakPolarHBondContact CA-O 3.19Å
176	Y	98	Very high	98.1	Very high	147 Å²	147	29 Å²	29	58%	0.576	14%	0.136	S	C	*	.	H	α-helix	trans	-92	-38	-169.4	-67.1	-64.8	0	0	0	113.8	D172 Y173	D172-Y176 HydrophobicContact CB-CD2 4.36Å; D172-Y176 HydrophobicContact CB-CE2 4.41Å; D172-Y176 WeakPolarHBondContact O-CD2 3.43Å; D172-Y176 PolarHBondContact O-N 3.01Å; Y173-Y176 PolarHBondContact O-N 2.84Å
177	E	98.1	Very high	97.9	Very high	99 Å²	99	31.5 Å²	31.5	46%	0.463	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-23.7	-174.1	-61.3	-58.6	153.4	0	0	112.5	Y173 K237 Y239	Y173-E177 HydrophobicContact CD1-CB 4.27Å; Y173-E177 HydrophobicContact CD2-CB 3.81Å; Y173-E177 HydrophobicContact CD2-CG 3.75Å; Y173-E177 HydrophobicContact CE1-CB 4.03Å; Y173-E177 HydrophobicContact CE2-CB 3.55Å; Y173-E177 HydrophobicContact CE2-CG 3.64Å; Y173-E177 HydrophobicContact CG-CB 4.17Å; Y173-E177 HydrophobicContact CG-CG 4.48Å; Y173-E177 WeakPolarHBondContact O-CA 3.5Å; Y173-E177 WeakPolarHBondContact O-CB 3.26Å; Y173-E177 PolarHBondContact O-N 2.88Å; E177-K237 VanDerWaalsContact O-CD 3.23Å; E177-K237 WeakPolarHBondContact O-CD 3.49Å; E177-K237 VanDerWaalsContact O-CE 3.31Å; E177-K237 WeakPolarHBondContact O-CE 3.42Å; E177-K237 PolarHBondContact O-NZ 3.06Å; E177-Y239 VanDerWaalsContact C-CE1 3.41Å; E177-Y239 WeakPolarHBondContact O-CE1 3.45Å
178	G	98.3	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.			trans	68.7	159.8	-174.9	0	0	0	0	0	113	Y173 W174 F238	Y173-G178 WeakPolarHBondContact CE1-O 3.33Å; Y173-G178 PolarHBondContact O-N 2.77Å; Y173-G178 VanDerWaalsContact O-N 3.13Å; W174-G178 WeakPolarHBondContact O-CA 3.48Å; W174-G178 PolarHBondContact O-N 3.24Å; G178-F238 CarbonylContact C-O 3.44Å; G178-F238 WeakPolarHBondContact CA-O 2.86Å
179	I	98.8	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-127.1	136.3	-176.4	-61.5	167.6	0	0	0	108.4	V127 M130 L146 N150 L151 Y173 W174 F238	V127-I179 HydrophobicContact CG1-CD1 4.17Å; M130-I179 HydrophobicContact SD-CD1 3.81Å; L146-I179 HydrophobicContact CB-CG2 4.05Å; L146-I179 HydrophobicContact CD1-CB 4.36Å; N150-I179 HydrophobicContact CB-CG2 4.27Å; L151-I179 HydrophobicContact CB-CD1 4.08Å; L151-I179 HydrophobicContact CD1-CD1 4.12Å; L151-I179 HydrophobicContact CD2-CD1 4.24Å; L151-I179 HydrophobicContact CG-CD1 4.37Å; Y173-I179 HydrophobicContact CD1-CD1 4.33Å; Y173-I179 HydrophobicContact CD1-CG1 3.88Å; Y173-I179 HydrophobicContact CE1-CG1 3.94Å; W174-I179 HydrophobicContact CB-CD1 3.84Å; W174-I179 HydrophobicContact CB-CG1 4.42Å; W174-I179 HydrophobicContact CG-CD1 4.21Å; I179-F238 PolarHBondContact N-O 2.73Å; I179-F238 PolarHBondContact O-N 2.74Å
180	V	98.8	Very high	97.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.			trans	-78.4	166.3	175.6	-60.7	0	0	0	0	111.7	S147 N150 C191 Q192 Y233 D236 K237	S147-V180 VanDerWaalsContact CB-O 3.3Å; S147-V180 WeakPolarHBondContact CB-O 3.24Å; S147-V180 PolarHBondContact N-O 3.5Å; N150-V180 HydrophobicContact CB-CG2 3.83Å; V180-C191 HydrophobicContact CB-CB 3.85Å; V180-C191 HydrophobicContact CG2-CB 3.98Å; V180-Q192 HydrophobicContact CG2-CB 4.07Å; V180-Q192 HydrophobicContact CG2-CG 3.99Å; V180-Y233 HydrophobicContact CB-CE2 4.48Å; V180-Y233 HydrophobicContact CG1-CD2 3.64Å; V180-Y233 HydrophobicContact CG1-CE2 3.55Å; V180-Y233 HydrophobicContact CG1-CG 4.28Å; V180-Y233 HydrophobicContact CG2-CD2 4.46Å; V180-Y233 HydrophobicContact CG2-CE2 4.1Å; V180-D236 HydrophobicContact CB-CB 4.33Å; V180-D236 HydrophobicContact CG1-CB 4.21Å; V180-K237 HydrophobicContact CG1-CG 3.73Å
181	T	98.7	Very high	97.5	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.049	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-71.4	153.6	175.4	61.4	0	0	0	0	112.2	V144 E145 G190 C191 Q192 Y229 D236 F238	V144-T181 HydrophobicContact CB-CG2 3.99Å; V144-T181 HydrophobicContact CG1-CG2 4.08Å; E145-T181 CarbonylContact O-C 3.54Å; E145-T181 WeakPolarHBondContact O-CA 3.44Å; E145-T181 WeakPolarHBondContact O-CB 3.48Å; T181-G190 VanDerWaalsContact OG1-CA 3.24Å; T181-G190 WeakPolarHBondContact OG1-CA 3.42Å; T181-C191 WeakPolarHBondContact O-CA 3.45Å; T181-C191 WeakPolarHBondContact O-CB 3.45Å; T181-C191 PolarHBondContact O-N 3.45Å; T181-C191 PolarHBondContact OG1-N 3.24Å; T181-Q192 PolarHBondContact O-N 3.46Å; T181-Y229 PolarHBondContact OG1-OH 2.98Å; T181-D236 WeakPolarHBondContact CB-OD2 3.38Å; T181-D236 WeakPolarHBondContact CG2-OD2 3.21Å; T181-D236 PolarHBondContact N-OD2 3.26Å; T181-D236 PolarHBondContact OG1-OD2 3.29Å; T181-F238 HydrophobicContact CG2-CD2 4.05Å; T181-F238 HydrophobicContact CG2-CE2 3.57Å
182	G	98.3	Very high	97.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.			trans	176.5	114.7	179.7	0	0	0	0	0	113.9	R113 E145 L146 T189 Q192	R113-G182 PolarHBondContact NH2-O 2.82Å; E145-G182 PolarHBondContact O-N 3.2Å; L146-G182 CarbonylContact C-O 3.54Å; G182-T189 CarbonylContact C-O 3.59Å; G182-T189 WeakPolarHBondContact CA-O 3.38Å; G182-Q192 VanDerWaalsContact CA-O 3.25Å; G182-Q192 WeakPolarHBondContact CA-O 3.43Å
183	G	97	Very high	97.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.			trans	-81.7	-143.8	175.7	0	0	0	0	0	113.3	R113 T189 Y194	R113-G183 PolarHBondContact NH2-O 3.08Å; G183-T189 WeakPolarHBondContact CA-OG1 2.99Å; G183-T189 PolarHBondContact N-O 3.37Å; G183-Y194 PolarHBondContact O-N 3.46Å
184	S	96.8	Very high	97.4	Very high	22 Å²	22	37.2 Å²	37.2	15%	0.154	19%	0.187	C	C	.	.			trans	-93.7	172.5	180	81	0	0	0	0	111.9	E186 T187 H188	S184-E186 WeakPolarHBondContact CB-OE2 3.1Å; S184-E186 PolarHBondContact O-N 3.05Å; S184-E186 PolarHBondContact OG-N 3.21Å; S184-E186 PolarHBondContact OG-OE2 2.92Å; S184-T187 PolarHBondContact N-OG1 3.31Å; S184-T187 PolarHBondContact OG-N 3.46Å; S184-H188 PolarHBondContact O-N 2.92Å; S184-H188 VanDerWaalsContact O-N 3.16Å
185	N	95.5	Very high	97.3	Very high	46 Å²	46	39.8 Å²	39.8	25%	0.246	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.1	173.1	-173.1	-103.4	0	0	0	111.5	H188 Y194 P195 F196	N185-H188 PolarHBondContact O-CE1 2.92Å; N185-H188 PolarHBondContact O-ND1 3.1Å; N185-H188 PolarHBondContact O-NE2 2.9Å; N185-Y194 WeakPolarHBondContact CA-O 3.45Å; N185-Y194 VanDerWaalsContact CB-O 3.24Å; N185-Y194 WeakPolarHBondContact CB-O 3.21Å; N185-Y194 PolarHBondContact N-O 3.12Å; N185-P195 PolarHBondContact ND2-O 3.35Å; N185-F196 WeakPolarHBondContact CB-O 3.29Å
186	E	94.8	Very high	97.2	Very high	83 Å²	83	37.2 Å²	37.2	39%	0.388	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-37.2	-174.4	-61.6	66.5	-147.7	0	0	111.3	S184 P197 E198	S184-E186 WeakPolarHBondContact CB-OE2 3.1Å; S184-E186 PolarHBondContact O-N 3.05Å; S184-E186 PolarHBondContact OG-N 3.21Å; S184-E186 PolarHBondContact OG-OE2 2.92Å; E186-P197 VanDerWaalsContact OE1-CA 3.3Å; E186-P197 WeakPolarHBondContact OE1-CA 3.45Å; E186-E198 PolarHBondContact OE1-N 3.4Å
187	T	94.6	Very high	97	Very high	83 Å²	83	31.5 Å²	31.5	51%	0.509	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-22.9	-176.1	63.5	0	0	0	0	113.5	S184 T189	S184-T187 PolarHBondContact N-OG1 3.31Å; S184-T187 PolarHBondContact OG-N 3.46Å; T187-T189 PolarHBondContact O-N 2.8Å; T187-T189 VanDerWaalsContact O-N 3.16Å; T187-T189 PolarHBondContact OG1-OG1 2.73Å
188	H	95	Very high	96.8	Very high	104 Å²	104	29 Å²	29	48%	0.481	16%	0.162	S	C	.	.			trans	51.8	32.5	-177.3	-64.1	86.5	0	0	0	113.7	S184 N185 P193 Q226	S184-H188 PolarHBondContact O-N 2.92Å; S184-H188 VanDerWaalsContact O-N 3.16Å; N185-H188 PolarHBondContact O-CE1 2.92Å; N185-H188 PolarHBondContact O-ND1 3.1Å; N185-H188 PolarHBondContact O-NE2 2.9Å; H188-P193 HydrophobicContact CB-CG 4.43Å; H188-Q226 PolarHBondContact O-NE2 3.17Å
189	T	96	Very high	96.4	Very high	59 Å²	59	29 Å²	29	36%	0.362	16%	0.162	S	C	.	.			trans	-87.4	149.7	-178.3	59.7	0	0	0	0	112.3	G182 G183 T187	G182-T189 CarbonylContact C-O 3.59Å; G182-T189 WeakPolarHBondContact CA-O 3.38Å; G183-T189 WeakPolarHBondContact CA-OG1 2.99Å; G183-T189 PolarHBondContact N-O 3.37Å; T187-T189 PolarHBondContact O-N 2.8Å; T187-T189 VanDerWaalsContact O-N 3.16Å; T187-T189 PolarHBondContact OG1-OG1 2.73Å
190	G	97.5	Very high	95.8	Very high	14 Å²	14	29 Å²	29	14%	0.144	16%	0.162	C	C	.	.	S	Bend	trans	87.5	-174.6	174.8	0	0	0	0	0	114.4	T181 Q226 Y229	T181-G190 VanDerWaalsContact OG1-CA 3.24Å; T181-G190 WeakPolarHBondContact OG1-CA 3.42Å; G190-Q226 PolarHBondContact O-NE2 3.5Å; G190-Y229 VanDerWaalsContact CA-CE2 3.41Å; G190-Y229 WeakPolarHBondContact O-CD2 3.41Å
191	C	98.6	Very high	94.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-69.8	-43.7	-179.8	172.4	0	0	0	0	112.4	V180 T181 C225 Q226 Y229 D236	V180-C191 HydrophobicContact CB-CB 3.85Å; V180-C191 HydrophobicContact CG2-CB 3.98Å; T181-C191 WeakPolarHBondContact O-CA 3.45Å; T181-C191 WeakPolarHBondContact O-CB 3.45Å; T181-C191 PolarHBondContact O-N 3.45Å; T181-C191 PolarHBondContact OG1-N 3.24Å; C191-C225 HydrophobicContact CB-CB 3.85Å; C191-C225 WeakPolarHBondContact CB-SG 3.39Å; C191-C225 CarbonylContact O-C 3.52Å; C191-C225 VanDerWaalsContact O-CA 3.24Å; C191-C225 WeakPolarHBondContact O-CA 3.4Å; C191-C225 WeakPolarHBondContact O-CB 3.48Å; C191-C225 WeakPolarHBondContact SG-CA 3.36Å; C191-C225 WeakPolarHBondContact SG-CB 3.31Å; C191-C225 CovalentContact SG-SG 2.03Å; C191-C225 PolarHBondContact SG-SG 3.15Å; C191-Q226 PolarHBondContact O-N 2.72Å; C191-Y229 HydrophobicContact CB-CD1 3.81Å; C191-Y229 HydrophobicContact CB-CE1 3.72Å; C191-Y229 HydrophobicContact CB-CG 4.46Å; C191-D236 HydrophobicContact CB-CB 4.25Å; C191-D236 WeakPolarHBondContact CB-OD2 3.42Å
192	Q	98.4	Very high	93	Very high	23 Å²	23	33 Å²	33	11%	0.107	18%	0.18	C	C	.	.	S	Bend	trans	-135.8	84.1	-177.3	-69.8	-174.1	-29.3	0	0	110.6	S147 I149 N150 V180 T181 G182 H222 T224	S147-Q192 VanDerWaalsContact CB-O 3.3Å; S147-Q192 WeakPolarHBondContact CB-O 3.43Å; S147-Q192 WeakPolarHBondContact OG-CB 3.2Å; S147-Q192 PolarHBondContact OG-O 2.81Å; I149-Q192 HydrophobicContact CG2-CB 4Å; I149-Q192 WeakPolarHBondContact CG2-O 3.3Å; N150-Q192 PolarHBondContact ND2-OE1 3.34Å; V180-Q192 HydrophobicContact CG2-CB 4.07Å; V180-Q192 HydrophobicContact CG2-CG 3.99Å; T181-Q192 PolarHBondContact O-N 3.46Å; G182-Q192 VanDerWaalsContact CA-O 3.25Å; G182-Q192 WeakPolarHBondContact CA-O 3.43Å; Q192-H222 PolarHBondContact NE2-O 3.35Å; Q192-T224 PolarHBondContact NE2-O 2.89Å
193	P	97.9	Very high	91.4	Very high	20 Å²	20	34 Å²	34	13%	0.13	19%	0.186	C	C	.	.			trans	-58.5	152.8	173.3	-17.7	29.3	0	0	0	111.8	I149 H188 Q226	I149-P193 WeakPolarHBondContact CG2-O 3.4Å; H188-P193 HydrophobicContact CB-CG 4.43Å; P193-Q226 VanDerWaalsContact CG-NE2 3.35Å
194	Y	97.8	Very high	89.7	Confident	5 Å²	5	39.6 Å²	39.6	2%	0.02	23%	0.226	C	C	.	.			trans	-63.5	132.8	175.8	-163.4	-121.5	0	0	0	110.5	Q115 S120 F124 A148 I149 L152 G183 N185 F196	Q115-Y194 PolarHBondContact O-OH 2.94Å; S120-Y194 PolarHBondContact OG-OH 2.89Å; F124-Y194 HydrophobicContact CE2-CD2 4.15Å; F124-Y194 HydrophobicContact CE2-CE1 4.01Å; F124-Y194 AromaticContact CE2-CE2 3.59Å; F124-Y194 HydrophobicContact CE2-CE2 3.59Å; F124-Y194 AromaticContact CE2-CZ 3.48Å; F124-Y194 VanDerWaalsContact CE2-CZ 3.48Å; F124-Y194 AromaticContact CZ-CD1 3.87Å; F124-Y194 HydrophobicContact CZ-CD1 3.87Å; F124-Y194 AromaticContact CZ-CD2 3.96Å; F124-Y194 HydrophobicContact CZ-CD2 3.96Å; F124-Y194 AromaticContact CZ-CE1 3.66Å; F124-Y194 HydrophobicContact CZ-CE1 3.66Å; F124-Y194 AromaticContact CZ-CE2 3.81Å; F124-Y194 HydrophobicContact CZ-CE2 3.81Å; F124-Y194 AromaticContact CZ-CG 4Å; F124-Y194 HydrophobicContact CZ-CG 4Å; F124-Y194 AromaticContact CZ-CZ 3.62Å; A148-Y194 HydrophobicContact CB-CD2 4.01Å; A148-Y194 HydrophobicContact CB-CE2 4.29Å; I149-Y194 HydrophobicContact CB-CD2 4.09Å; L152-Y194 HydrophobicContact CD2-CE2 4.33Å; G183-Y194 PolarHBondContact O-N 3.46Å; N185-Y194 WeakPolarHBondContact CA-O 3.45Å; N185-Y194 VanDerWaalsContact CB-O 3.24Å; N185-Y194 WeakPolarHBondContact CB-O 3.21Å; N185-Y194 PolarHBondContact N-O 3.12Å; Y194-F196 HydrophobicContact CD1-CB 4.13Å; Y194-F196 HydrophobicContact CD1-CD2 4.45Å; Y194-F196 WeakPolarHBondContact CD1-O 3.35Å; Y194-F196 HydrophobicContact CE1-CB 3.77Å; Y194-F196 AromaticContact CE1-CD2 3.65Å; Y194-F196 HydrophobicContact CE1-CD2 3.65Å; Y194-F196 HydrophobicContact CE1-CG 4.15Å; Y194-F196 HydrophobicContact CE2-CD2 4.09Å; Y194-F196 HydrophobicContact CE2-CE2 4.44Å; Y194-F196 AromaticContact CZ-CD2 3.44Å; Y194-F196 VanDerWaalsContact CZ-CD2 3.44Å; Y194-F196 PolarHBondContact O-N 2.85Å; Y194-F196 WeakPolarHBondContact OH-CD2 3.3Å
195	P	96.1	Very high	88.4	Confident	54 Å²	54	39.7 Å²	39.7	35%	0.351	23%	0.227	S	C	.	.	S	Bend	trans	-83.9	-10.4	-171	32.2	-36.4	0	0	0	113.8	I149 N185 P219	I149-P195 HydrophobicContact CD1-CG 3.91Å; I149-P195 HydrophobicContact CG1-CG 4Å; N185-P195 PolarHBondContact ND2-O 3.35Å; P195-P219 HydrophobicContact CG-CG 4.19Å
196	F	95.8	Very high	87.2	Confident	15 Å²	15	48.1 Å²	48.1	7%	0.066	26%	0.261	C	S	.	.	S	Bend	trans	-105.3	135.3	-175.4	-47.9	-46.6	0	0	0	110.8	S116 C118 N185 Y194 F216 P219	S116-F196 VanDerWaalsContact CB-CB 3.45Å; S116-F196 WeakPolarHBondContact OG-CB 3.42Å; C118-F196 HydrophobicContact CB-CD2 4.03Å; C118-F196 HydrophobicContact CB-CE2 3.96Å; N185-F196 WeakPolarHBondContact CB-O 3.29Å; Y194-F196 HydrophobicContact CD1-CB 4.13Å; Y194-F196 HydrophobicContact CD1-CD2 4.45Å; Y194-F196 WeakPolarHBondContact CD1-O 3.35Å; Y194-F196 HydrophobicContact CE1-CB 3.77Å; Y194-F196 AromaticContact CE1-CD2 3.65Å; Y194-F196 HydrophobicContact CE1-CD2 3.65Å; Y194-F196 HydrophobicContact CE1-CG 4.15Å; Y194-F196 HydrophobicContact CE2-CD2 4.09Å; Y194-F196 HydrophobicContact CE2-CE2 4.44Å; Y194-F196 AromaticContact CZ-CD2 3.44Å; Y194-F196 VanDerWaalsContact CZ-CD2 3.44Å; Y194-F196 PolarHBondContact O-N 2.85Å; Y194-F196 WeakPolarHBondContact OH-CD2 3.3Å; F196-F216 HydrophobicContact CB-CD2 3.95Å; F196-F216 HydrophobicContact CB-CE2 3.92Å; F196-F216 HydrophobicContact CD1-CB 3.92Å; F196-F216 AromaticContact CD1-CD1 3.66Å; F196-F216 HydrophobicContact CD1-CD1 3.66Å; F196-F216 AromaticContact CD1-CD2 3.67Å; F196-F216 HydrophobicContact CD1-CD2 3.67Å; F196-F216 HydrophobicContact CD1-CE1 4.04Å; F196-F216 HydrophobicContact CD1-CE2 4.05Å; F196-F216 AromaticContact CD1-CG 3.47Å; F196-F216 HydrophobicContact CD1-CG 3.47Å; F196-F216 VanDerWaalsContact CD1-CG 3.47Å; F196-F216 HydrophobicContact CD1-CZ 4.22Å; F196-F216 HydrophobicContact CD2-CB 4.18Å; F196-F216 HydrophobicContact CD2-CD2 4.12Å; F196-F216 HydrophobicContact CD2-CG 4.28Å; F196-F216 HydrophobicContact CE1-CB 3.52Å; F196-F216 AromaticContact CE1-CD1 3.69Å; F196-F216 HydrophobicContact CE1-CD1 3.69Å; F196-F216 HydrophobicContact CE1-CD2 4.19Å; F196-F216 HydrophobicContact CE1-CE1 4.45Å; F196-F216 AromaticContact CE1-CG 3.54Å; F196-F216 HydrophobicContact CE1-CG 3.54Å; F196-F216 HydrophobicContact CE2-CB 3.83Å; F196-F216 HydrophobicContact CE2-CG 4.36Å; F196-F216 HydrophobicContact CG-CB 4.25Å; F196-F216 HydrophobicContact CG-CD1 4.46Å; F196-F216 AromaticContact CG-CD2 3.64Å; F196-F216 HydrophobicContact CG-CD2 3.64Å; F196-F216 HydrophobicContact CG-CE2 4.06Å; F196-F216 AromaticContact CG-CG 3.88Å; F196-F216 HydrophobicContact CG-CG 3.88Å; F196-F216 HydrophobicContact CZ-CB 3.47Å; F196-F216 VanDerWaalsContact CZ-CB 3.47Å; F196-F216 HydrophobicContact CZ-CG 4Å; F196-P219 HydrophobicContact CE1-CG 4.2Å; F196-P219 HydrophobicContact CZ-CG 3.62Å
197	P	94.2	Very high	86.5	Confident	27 Å²	27	47.4 Å²	47.4	18%	0.175	27%	0.265	C	S	.	.			trans	-72	152.7	-176.9	29.8	-35.6	0	0	0	112.3	S116 E186 C199	S116-P197 WeakPolarHBondContact CB-O 3.23Å; S116-P197 PolarHBondContact OG-O 2.75Å; E186-P197 VanDerWaalsContact OE1-CA 3.3Å; E186-P197 WeakPolarHBondContact OE1-CA 3.45Å; P197-C199 PolarHBondContact O-N 2.7Å
198	E	93.3	Very high	86	Confident	45 Å²	45	44.6 Å²	44.6	21%	0.21	25%	0.246	C	C	.	.			trans	-57.1	128.9	163.2	-65.6	-171.7	176.3	0	0	109.2	D114 E186 Y208	D114-E198 HydrophobicContact CB-CB 4.22Å; D114-E198 HydrophobicContact CB-CG 3.72Å; E186-E198 PolarHBondContact OE1-N 3.4Å; E198-Y208 HydrophobicContact CB-CD1 3.91Å; E198-Y208 HydrophobicContact CB-CE1 3.87Å; E198-Y208 WeakPolarHBondContact OE2-CE1 3.27Å; E198-Y208 PolarHBondContact OE2-OH 2.81Å
199	C	91	Very high	85.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.007	25%	0.246	C	C	.	.			trans	-154.3	172.3	-171	69	0	0	0	0	112.8	R56 D114 S116 P197 P209 C211 N316	R56-C199 PolarHBondContact NH1-O 3.48Å; D114-C199 PolarHBondContact OD2-N 3.38Å; D114-C199 VanDerWaalsContact OD2-N 3.16Å; S116-C199 PolarHBondContact OG-SG 3.21Å; S116-C199 VanDerWaalsContact OG-SG 3.34Å; P197-C199 PolarHBondContact O-N 2.7Å; C199-P209 CarbonylContact C-O 3.58Å; C199-P209 VanDerWaalsContact CA-O 3.29Å; C199-P209 WeakPolarHBondContact CA-O 3.41Å; C199-P209 WeakPolarHBondContact CB-O 3.46Å; C199-C211 HydrophobicContact CB-CB 3.82Å; C199-C211 WeakPolarHBondContact CB-SG 3.46Å; C199-C211 VanDerWaalsContact SG-CA 3.56Å; C199-C211 WeakPolarHBondContact SG-CB 3.13Å; C199-C211 CovalentContact SG-SG 2.03Å; C199-C211 PolarHBondContact SG-SG 3.04Å; C199-N316 PolarHBondContact O-ND2 2.89Å
200	N	86.3	Confident	85.1	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-120.6	139.7	166.5	-77.2	-39.1	0	0	0	109.5	N55 H202 S205 P209 P210 C211 N316	N55-N200 VanDerWaalsContact O-CB 3.32Å; N55-N200 WeakPolarHBondContact O-CB 3.3Å; N55-N200 VanDerWaalsContact O-CG 3.29Å; N55-N200 PolarHBondContact O-OD1 2.76Å; N200-H202 PolarHBondContact O-N 2.59Å; N200-S205 WeakPolarHBondContact ND2-CB 3.35Å; N200-P209 PolarHBondContact N-O 3.47Å; N200-P210 CarbonylContact O-C 3.5Å; N200-P210 VanDerWaalsContact O-CA 3.25Å; N200-P210 WeakPolarHBondContact O-CA 3.13Å; N200-C211 PolarHBondContact O-N 3.16Å; N200-C211 PolarHBondContact O-SG 2.98Å; N200-C211 VanDerWaalsContact O-SG 3.37Å; N200-N316 PolarHBondContact OD1-ND2 3.36Å
201	H	74.5	Confident	84.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-72.9	98.6	-179	-67.9	-108.7	0	0	0	109.5	R56 F57 S58 D62 M66 S116 S117 S203	R56-H201 WeakPolarHBondContact O-CB 3.45Å; R56-H201 PolarHBondContact O-N 2.86Å; F57-H201 HydrophobicContact CD1-CB 4.47Å; S58-H201 VanDerWaalsContact CB-O 3.31Å; S58-H201 WeakPolarHBondContact CB-O 3.36Å; S58-H201 PolarHBondContact N-O 2.88Å; S58-H201 VanDerWaalsContact N-O 3.09Å; D62-H201 HydrophobicContact CB-CB 3.73Å; D62-H201 WeakPolarHBondContact OD2-CB 3.48Å; M66-H201 WeakPolarHBondContact CE-CE1 3.35Å; M66-H201 PolarHBondContact SD-NE2 3.2Å; S116-H201 PolarHBondContact O-NE2 2.76Å; S117-H201 PolarHBondContact OG-CE1 2.93Å; S117-H201 PolarHBondContact OG-NE2 3.37Å; H201-S203 PolarHBondContact O-N 2.96Å; H201-S203 VanDerWaalsContact O-N 3.12Å
202	H	65	Low	83.6	Confident	92 Å²	92	51.5 Å²	51.5	43%	0.426	28%	0.283	S	S	.	.	S	Bend	trans	47	39.6	176.9	-48.8	-65	0	0	0	115.4	S58 N200	S58-H202 WeakPolarHBondContact OG-CB 3.29Å; N200-H202 PolarHBondContact O-N 2.59Å
203	S	63	Low	82.6	Confident	19 Å²	19	52.3 Å²	52.3	13%	0.133	29%	0.292	C	S	.	.			trans	-123.1	136.4	178	156.6	0	0	0	0	110.5	N55 H201 S205	N55-S203 VanDerWaalsContact CA-OG 3.3Å; N55-S203 WeakPolarHBondContact CA-OG 3.27Å; N55-S203 WeakPolarHBondContact CB-OG 3.43Å; N55-S203 WeakPolarHBondContact O-CB 3.2Å; N55-S203 PolarHBondContact O-OG 2.92Å; H201-S203 PolarHBondContact O-N 2.96Å; H201-S203 VanDerWaalsContact O-N 3.12Å; S203-S205 PolarHBondContact O-N 2.99Å
204	S	62.2	Low	81.6	Confident	119 Å²	119	54.5 Å²	54.5	83%	0.832	30%	0.298	S	S	*	.			trans	-79.8	80.3	-178.8	57.5	0	0	0	0	110.7
205	S	68.3	Low	81.1	Confident	24 Å²	24	57.5 Å²	57.5	17%	0.168	31%	0.31	C	S	.	.			trans	-92.7	147.5	164.4	179.5	0	0	0	0	110.2	N200 S203 S207	N200-S205 WeakPolarHBondContact ND2-CB 3.35Å; S203-S205 PolarHBondContact O-N 2.99Å; S205-S207 VanDerWaalsContact C-N 3.28Å; S205-S207 PolarHBondContact OG-N 2.8Å; S205-S207 VanDerWaalsContact OG-N 3.07Å
206	K	70.7	Confident	80.9	Confident	222 Å²	222	56.2 Å²	56.2	97%	0.965	30%	0.299	S	S	*	.	S	Bend	trans	-75.5	-19.8	169.3	-67.4	-173.7	179.5	-177.2	0	112.7
207	S	81.5	Confident	80.8	Confident	69 Å²	69	59.9 Å²	59.9	48%	0.483	32%	0.324	S	S	.	.	S	Bend	trans	-91	-28.4	-172.3	-56.8	0	0	0	0	113.5	S205	S205-S207 VanDerWaalsContact C-N 3.28Å; S205-S207 PolarHBondContact OG-N 2.8Å; S205-S207 VanDerWaalsContact OG-N 3.07Å
208	Y	83.3	Confident	81	Confident	24 Å²	24	60.9 Å²	60.9	9%	0.094	33%	0.33	C	S	.	.	S	Bend	trans	-138	137.8	-179.3	-63.2	-61.7	0	0	0	110.7	E198 N316 N317 Q318	E198-Y208 HydrophobicContact CB-CD1 3.91Å; E198-Y208 HydrophobicContact CB-CE1 3.87Å; E198-Y208 WeakPolarHBondContact OE2-CE1 3.27Å; E198-Y208 PolarHBondContact OE2-OH 2.81Å; Y208-N316 HydrophobicContact CD2-CB 4.24Å; Y208-N316 HydrophobicContact CE2-CB 3.54Å; Y208-N316 WeakPolarHBondContact CE2-OD1 3.24Å; Y208-N317 PolarHBondContact OH-ND2 3.08Å; Y208-N317 PolarHBondContact OH-OD1 2.67Å; Y208-Q318 HydrophobicContact CD2-CB 4.43Å; Y208-Q318 HydrophobicContact CD2-CG 3.79Å; Y208-Q318 HydrophobicContact CE2-CB 4.24Å; Y208-Q318 HydrophobicContact CE2-CG 3.55Å
209	P	86.1	Confident	81.1	Confident	74 Å²	74	60.7 Å²	60.7	48%	0.481	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-66.2	159	176.1	30.3	-35.3	0	0	0	111	C199 N200	C199-P209 CarbonylContact C-O 3.58Å; C199-P209 VanDerWaalsContact CA-O 3.29Å; C199-P209 WeakPolarHBondContact CA-O 3.41Å; C199-P209 WeakPolarHBondContact CB-O 3.46Å; N200-P209 PolarHBondContact N-O 3.47Å
210	P	85.8	Confident	81.4	Confident	74 Å²	74	68.1 Å²	68.1	48%	0.481	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-57	141.7	164.5	-21.8	33.7	0	0	0	110.6	N200 E212	N200-P210 CarbonylContact O-C 3.5Å; N200-P210 VanDerWaalsContact O-CA 3.25Å; N200-P210 WeakPolarHBondContact O-CA 3.13Å; P210-E212 PolarHBondContact O-N 3.09Å
211	C	84.1	Confident	82	Confident	5 Å²	5	70.6 Å²	70.6	3%	0.034	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-60.7	130.5	173.5	-56.9	0	0	0	0	110.5	S117 C199 N200 S213	S117-C211 WeakPolarHBondContact OG-CB 3.48Å; S117-C211 PolarHBondContact OG-SG 3.2Å; C199-C211 HydrophobicContact CB-CB 3.82Å; C199-C211 WeakPolarHBondContact CB-SG 3.46Å; C199-C211 VanDerWaalsContact SG-CA 3.56Å; C199-C211 WeakPolarHBondContact SG-CB 3.13Å; C199-C211 CovalentContact SG-SG 2.03Å; C199-C211 PolarHBondContact SG-SG 3.04Å; N200-C211 PolarHBondContact O-N 3.16Å; N200-C211 PolarHBondContact O-SG 2.98Å; N200-C211 VanDerWaalsContact O-SG 3.37Å; C211-S213 VanDerWaalsContact C-N 3.31Å; C211-S213 PolarHBondContact O-N 3.03Å
212	E	80.2	Confident	83	Confident	168 Å²	168	75.5 Å²	75.5	79%	0.785	41%	0.407	S	S	*	.	S	Bend	trans	-66.1	-34.9	-175.8	-62.6	-175.5	167	0	0	112.7	P210 F216	P210-E212 PolarHBondContact O-N 3.09Å; E212-F216 HydrophobicContact CB-CZ 4.48Å
213	S	77	Confident	84.5	Confident	41 Å²	41	76.9 Å²	76.9	29%	0.287	41%	0.413	S	S	.	.	S	Bend	trans	-116.6	141.3	173.6	-174.1	0	0	0	0	109.3	S117 C211 Y215	S117-S213 VanDerWaalsContact CB-O 3.24Å; S117-S213 WeakPolarHBondContact CB-O 3.46Å; S117-S213 PolarHBondContact OG-O 2.91Å; C211-S213 VanDerWaalsContact C-N 3.31Å; C211-S213 PolarHBondContact O-N 3.03Å; S213-Y215 PolarHBondContact O-N 2.93Å; S213-Y215 VanDerWaalsContact OG-C 3.27Å; S213-Y215 PolarHBondContact OG-N 3.19Å; S213-Y215 VanDerWaalsContact OG-N 3.11Å; S213-Y215 PolarHBondContact OG-O 3.49Å
214	Y	77.7	Confident	86.2	Confident	66 Å²	66	80.5 Å²	80.5	26%	0.259	43%	0.434	S	S	.	.	S	Bend	trans	-56.2	-34.3	165.7	171.9	-98.2	0	0	0	111.3	H61 D62	H61-Y214 HydrophobicContact CB-CE2 4.4Å; H61-Y214 WeakPolarHBondContact CB-OH 3.47Å; H61-Y214 AromaticContact CD2-CE1 3.68Å; H61-Y214 AromaticContact CD2-CE2 3.73Å; H61-Y214 AromaticContact CD2-CZ 3.11Å; H61-Y214 PolarHBondContact CD2-OH 3.22Å; H61-Y214 PolarHBondContact CE1-OH 2.88Å; H61-Y214 VanDerWaalsContact CE1-OH 3.29Å; H61-Y214 AromaticContact CG-CZ 3.68Å; H61-Y214 PolarHBondContact ND1-OH 3.13Å; H61-Y214 AromaticContact NE2-CE1 3.51Å; H61-Y214 AromaticContact NE2-CZ 3.41Å; H61-Y214 PolarHBondContact NE2-OH 3.42Å; H61-Y214 PolarHBondContact O-OH 3Å; D62-Y214 HydrophobicContact CB-CE2 4.5Å; D62-Y214 PolarHBondContact N-OH 3.46Å; D62-Y214 VanDerWaalsContact OD1-CE2 3.23Å; D62-Y214 WeakPolarHBondContact OD1-CE2 3.02Å
215	Y	86.4	Confident	87.9	Confident	67 Å²	67	75.8 Å²	75.8	26%	0.263	40%	0.401	S	S	.	.	S	Bend	trans	-155.4	122.3	-176.3	178.3	-89.8	0	0	0	110.2	C162 R163 S213	C162-Y215 HydrophobicContact CB-CE2 4.3Å; C162-Y215 WeakPolarHBondContact CB-OH 3.49Å; C162-Y215 PolarHBondContact O-OH 3.22Å; R163-Y215 WeakPolarHBondContact CG-OH 3.25Å; R163-Y215 PolarHBondContact N-OH 3.16Å; S213-Y215 PolarHBondContact O-N 2.93Å; S213-Y215 VanDerWaalsContact OG-C 3.27Å; S213-Y215 PolarHBondContact OG-N 3.19Å; S213-Y215 VanDerWaalsContact OG-N 3.11Å; S213-Y215 PolarHBondContact OG-O 3.49Å
216	F	92.2	Very high	89.3	Confident	27 Å²	27	77 Å²	77	12%	0.118	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-84.3	132.5	173.1	-71.4	-69.5	0	0	0	110.9	S117 C162 F196 E212	S117-F216 PolarHBondContact O-N 3.4Å; C162-F216 WeakPolarHBondContact CB-O 3.37Å; F196-F216 HydrophobicContact CB-CD2 3.95Å; F196-F216 HydrophobicContact CB-CE2 3.92Å; F196-F216 HydrophobicContact CD1-CB 3.92Å; F196-F216 AromaticContact CD1-CD1 3.66Å; F196-F216 HydrophobicContact CD1-CD1 3.66Å; F196-F216 AromaticContact CD1-CD2 3.67Å; F196-F216 HydrophobicContact CD1-CD2 3.67Å; F196-F216 HydrophobicContact CD1-CE1 4.04Å; F196-F216 HydrophobicContact CD1-CE2 4.05Å; F196-F216 AromaticContact CD1-CG 3.47Å; F196-F216 HydrophobicContact CD1-CG 3.47Å; F196-F216 VanDerWaalsContact CD1-CG 3.47Å; F196-F216 HydrophobicContact CD1-CZ 4.22Å; F196-F216 HydrophobicContact CD2-CB 4.18Å; F196-F216 HydrophobicContact CD2-CD2 4.12Å; F196-F216 HydrophobicContact CD2-CG 4.28Å; F196-F216 HydrophobicContact CE1-CB 3.52Å; F196-F216 AromaticContact CE1-CD1 3.69Å; F196-F216 HydrophobicContact CE1-CD1 3.69Å; F196-F216 HydrophobicContact CE1-CD2 4.19Å; F196-F216 HydrophobicContact CE1-CE1 4.45Å; F196-F216 AromaticContact CE1-CG 3.54Å; F196-F216 HydrophobicContact CE1-CG 3.54Å; F196-F216 HydrophobicContact CE2-CB 3.83Å; F196-F216 HydrophobicContact CE2-CG 4.36Å; F196-F216 HydrophobicContact CG-CB 4.25Å; F196-F216 HydrophobicContact CG-CD1 4.46Å; F196-F216 AromaticContact CG-CD2 3.64Å; F196-F216 HydrophobicContact CG-CD2 3.64Å; F196-F216 HydrophobicContact CG-CE2 4.06Å; F196-F216 AromaticContact CG-CG 3.88Å; F196-F216 HydrophobicContact CG-CG 3.88Å; F196-F216 HydrophobicContact CZ-CB 3.47Å; F196-F216 VanDerWaalsContact CZ-CB 3.47Å; F196-F216 HydrophobicContact CZ-CG 4Å; E212-F216 HydrophobicContact CB-CZ 4.48Å
217	P	94.8	Very high	90.3	Very high	92 Å²	92	74.8 Å²	74.8	60%	0.597	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-65.8	152.4	169.4	30.4	-34.2	0	0	0	110.1	P219	P217-P219 WeakPolarHBondContact O-CD 3.38Å
218	T	97.1	Very high	90.7	Very high	49 Å²	49	77.8 Å²	77.8	30%	0.301	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-61.8	120.4	170.5	-51.1	0	0	0	0	108.8	L152 F160 G161 C162	L152-T218 HydrophobicContact CG-CG2 4.5Å; F160-T218 PolarHBondContact O-OG1 3.42Å; G161-T218 WeakPolarHBondContact CA-OG1 3.24Å; C162-T218 PolarHBondContact N-OG1 3.12Å
219	P	96.7	Very high	91.3	Very high	40 Å²	40	79.6 Å²	79.6	26%	0.26	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-66.4	157.4	175.9	-23.2	37.9	0	0	0	111.3	I149 S153 P195 F196 P217	I149-P219 HydrophobicContact CD1-CB 4.1Å; I149-P219 HydrophobicContact CD1-CG 3.67Å; S153-P219 VanDerWaalsContact CB-O 3.25Å; S153-P219 WeakPolarHBondContact CB-O 3.35Å; S153-P219 PolarHBondContact OG-O 3.19Å; P195-P219 HydrophobicContact CG-CG 4.19Å; F196-P219 HydrophobicContact CE1-CG 4.2Å; F196-P219 HydrophobicContact CZ-CG 3.62Å; P217-P219 WeakPolarHBondContact O-CD 3.38Å
220	E	97.3	Very high	91.6	Very high	158 Å²	158	79.8 Å²	79.8	74%	0.738	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-63.7	149.6	173.2	-65.9	-170.7	168.2	0	0	111.3	H222	E220-H222 PolarHBondContact O-CD2 3.36Å
221	C	98.1	Very high	92.1	Very high	53 Å²	53	80 Å²	80	36%	0.358	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-73.8	129.5	171.6	173.9	0	0	0	0	109.8	C154	C154-C221 WeakPolarHBondContact CA-SG 3.39Å; C154-C221 HydrophobicContact CB-CB 3.89Å; C154-C221 WeakPolarHBondContact CB-SG 3.49Å; C154-C221 WeakPolarHBondContact SG-CB 3.43Å; C154-C221 CovalentContact SG-SG 2.04Å; C154-C221 PolarHBondContact SG-SG 3.44Å
222	H	96.1	Very high	92.7	Very high	103 Å²	103	83.4 Å²	83.4	48%	0.477	45%	0.452	S	S	.	.			trans	-121.4	137.3	171.5	-58	-62.2	0	0	0	110.1	Q192 E220 T224	Q192-H222 PolarHBondContact NE2-O 3.35Å; E220-H222 PolarHBondContact O-CD2 3.36Å; H222-T224 VanDerWaalsContact C-N 3.28Å; H222-T224 PolarHBondContact O-N 2.71Å
223	E	96.7	Very high	93.5	Very high	120 Å²	120	76 Å²	76	56%	0.561	42%	0.417	S	S	*	.	S	Bend	trans	-96.2	37.7	176.6	-61.9	-159.9	149.8	0	0	112.5	Y233	E223-Y233 VanDerWaalsContact C-CG 3.47Å; E223-Y233 HydrophobicContact CB-CD1 3.86Å; E223-Y233 HydrophobicContact CB-CE1 3.73Å; E223-Y233 HydrophobicContact CB-CG 4.4Å; E223-Y233 HydrophobicContact CG-CD1 4.5Å; E223-Y233 HydrophobicContact CG-CE1 3.88Å; E223-Y233 VanDerWaalsContact O-CB 3.23Å; E223-Y233 WeakPolarHBondContact O-CB 3.46Å; E223-Y233 VanDerWaalsContact O-CG 3.28Å
224	T	97.5	Very high	94.5	Very high	95 Å²	95	81.8 Å²	81.8	58%	0.583	44%	0.437	S	S	*	.			trans	-130.6	146.8	178.7	52.3	0	0	0	0	110	Q192 H222	Q192-T224 PolarHBondContact NE2-O 2.89Å; H222-T224 VanDerWaalsContact C-N 3.28Å; H222-T224 PolarHBondContact O-N 2.71Å
225	C	98.3	Very high	95.4	Very high	20 Å²	20	85.8 Å²	85.8	14%	0.135	46%	0.456	C	S	.	.			trans	-83.4	165.2	168.6	-57.1	0	0	0	0	109.8	C191 Y229 K231	C191-C225 HydrophobicContact CB-CB 3.85Å; C191-C225 WeakPolarHBondContact CB-SG 3.39Å; C191-C225 CarbonylContact O-C 3.52Å; C191-C225 VanDerWaalsContact O-CA 3.24Å; C191-C225 WeakPolarHBondContact O-CA 3.4Å; C191-C225 WeakPolarHBondContact O-CB 3.48Å; C191-C225 WeakPolarHBondContact SG-CA 3.36Å; C191-C225 WeakPolarHBondContact SG-CB 3.31Å; C191-C225 CovalentContact SG-SG 2.03Å; C191-C225 PolarHBondContact SG-SG 3.15Å; C225-Y229 HydrophobicContact CB-CD1 3.97Å; C225-Y229 HydrophobicContact CB-CG 4.36Å; C225-K231 PolarHBondContact SG-O 3.37Å; C225-K231 VanDerWaalsContact SG-O 3.39Å
226	Q	97.1	Very high	96	Very high	51 Å²	51	82.6 Å²	82.6	24%	0.238	44%	0.443	C	S	.	.			trans	-55.6	147.2	164.9	61.4	-179.4	-14.6	0	0	111.4	H188 G190 C191 P193 D228 Y229	H188-Q226 PolarHBondContact O-NE2 3.17Å; G190-Q226 PolarHBondContact O-NE2 3.5Å; C191-Q226 PolarHBondContact O-N 2.72Å; P193-Q226 VanDerWaalsContact CG-NE2 3.35Å; Q226-D228 WeakPolarHBondContact CG-OD1 3.4Å; Q226-D228 PolarHBondContact O-N 3.21Å; Q226-D228 VanDerWaalsContact O-N 3.12Å; Q226-Y229 WeakPolarHBondContact O-CB 3.29Å; Q226-Y229 PolarHBondContact O-N 3.34Å; Q226-Y229 VanDerWaalsContact O-N 3.12Å
227	D	92.6	Very high	96.2	Very high	175 Å²	175	82.3 Å²	82.3	94%	0.936	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-32.4	-165.1	-68.2	-28.7	0	0	0	113.8
228	D	89.8	Confident	96.4	Very high	132 Å²	132	78.8 Å²	78.8	71%	0.706	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.8	-175.4	67.3	-21.3	0	0	0	114.5	Q226 G230	Q226-D228 WeakPolarHBondContact CG-OD1 3.4Å; Q226-D228 PolarHBondContact O-N 3.21Å; Q226-D228 VanDerWaalsContact O-N 3.12Å; D228-G230 VanDerWaalsContact C-N 3.34Å; D228-G230 PolarHBondContact O-N 2.79Å
229	Y	94.9	Very high	96.5	Very high	61 Å²	61	80.6 Å²	80.6	24%	0.239	42%	0.419	C	S	.	.	S	Bend	trans	-72.5	-24.5	-176.2	-171	-116.4	0	0	0	113.9	T181 G190 C191 C225 Q226 K231 D236	T181-Y229 PolarHBondContact OG1-OH 2.98Å; G190-Y229 VanDerWaalsContact CA-CE2 3.41Å; G190-Y229 WeakPolarHBondContact O-CD2 3.41Å; C191-Y229 HydrophobicContact CB-CD1 3.81Å; C191-Y229 HydrophobicContact CB-CE1 3.72Å; C191-Y229 HydrophobicContact CB-CG 4.46Å; C225-Y229 HydrophobicContact CB-CD1 3.97Å; C225-Y229 HydrophobicContact CB-CG 4.36Å; Q226-Y229 WeakPolarHBondContact O-CB 3.29Å; Q226-Y229 PolarHBondContact O-N 3.34Å; Q226-Y229 VanDerWaalsContact O-N 3.12Å; Y229-K231 HydrophobicContact CD1-CB 3.93Å; Y229-K231 HydrophobicContact CE1-CB 3.72Å; Y229-K231 PolarHBondContact O-N 2.6Å; Y229-K231 PolarHBondContact OH-NZ 3.03Å; Y229-D236 HydrophobicContact CE1-CB 4.15Å; Y229-D236 PolarHBondContact OH-OD1 3.38Å
230	G	92.8	Very high	96.6	Very high	79 Å²	79	79 Å²	79	81%	0.814	41%	0.409	S	S	*	.			trans	70.9	-18.1	173.7	0	0	0	0	0	116.9	D228	D228-G230 VanDerWaalsContact C-N 3.34Å; D228-G230 PolarHBondContact O-N 2.79Å
231	K	96.3	Very high	96.6	Very high	79 Å²	79	78.1 Å²	78.1	34%	0.343	40%	0.403	S	S	.	.	S	Bend	trans	-98.6	132.7	173.6	-166.5	-167.7	-67	135.6	0	111	C225 Y229 K235 D236	C225-K231 PolarHBondContact SG-O 3.37Å; C225-K231 VanDerWaalsContact SG-O 3.39Å; Y229-K231 HydrophobicContact CD1-CB 3.93Å; Y229-K231 HydrophobicContact CE1-CB 3.72Å; Y229-K231 PolarHBondContact O-N 2.6Å; Y229-K231 PolarHBondContact OH-NZ 3.03Å; K231-K235 HydrophobicContact CD-CB 4.21Å; K231-K235 HydrophobicContact CG-CB 4.04Å; K231-D236 HydrophobicContact CD-CB 3.85Å; K231-D236 WeakPolarHBondContact CD-OD1 3.21Å; K231-D236 IonicContact NZ-OD1 2.7Å; K231-D236 PolarHBondContact NZ-OD1 3.37Å
232	P	96.7	Very high	96.7	Very high	76 Å²	76	77 Å²	77	49%	0.494	40%	0.396	S	S	.	.			trans	-62	141.8	175.3	-23.4	33.2	0	0	0	113.1	K234 K235 D236	P232-K234 VanDerWaalsContact C-N 3.34Å; P232-K234 PolarHBondContact O-N 2.9Å; P232-K235 HydrophobicContact CB-CG 4.49Å; P232-K235 HydrophobicContact CG-CD 4.28Å; P232-K235 WeakPolarHBondContact O-CA 3.29Å; P232-K235 WeakPolarHBondContact O-CB 3.25Å; P232-K235 PolarHBondContact O-N 2.88Å; P232-D236 PolarHBondContact O-N 2.86Å
233	Y	98.2	Very high	96.8	Very high	12 Å²	12	72.3 Å²	72.3	5%	0.047	38%	0.375	C	S	.	.	H	α-helix	trans	-42.9	-53.6	179.5	176.6	-98.7	0	0	0	113.7	N150 V180 E223 K235 D236	N150-Y233 WeakPolarHBondContact ND2-CE2 3.27Å; N150-Y233 PolarHBondContact ND2-OH 3.15Å; V180-Y233 HydrophobicContact CB-CE2 4.48Å; V180-Y233 HydrophobicContact CG1-CD2 3.64Å; V180-Y233 HydrophobicContact CG1-CE2 3.55Å; V180-Y233 HydrophobicContact CG1-CG 4.28Å; V180-Y233 HydrophobicContact CG2-CD2 4.46Å; V180-Y233 HydrophobicContact CG2-CE2 4.1Å; E223-Y233 VanDerWaalsContact C-CG 3.47Å; E223-Y233 HydrophobicContact CB-CD1 3.86Å; E223-Y233 HydrophobicContact CB-CE1 3.73Å; E223-Y233 HydrophobicContact CB-CG 4.4Å; E223-Y233 HydrophobicContact CG-CD1 4.5Å; E223-Y233 HydrophobicContact CG-CE1 3.88Å; E223-Y233 VanDerWaalsContact O-CB 3.23Å; E223-Y233 WeakPolarHBondContact O-CB 3.46Å; E223-Y233 VanDerWaalsContact O-CG 3.28Å; Y233-K235 PolarHBondContact O-N 3.27Å; Y233-D236 PolarHBondContact O-N 2.6Å
234	K	97.1	Very high	96.9	Very high	163 Å²	163	67.2 Å²	67.2	71%	0.709	35%	0.351	S	S	*	.	H	α-helix	trans	-61.7	-29.5	-179	-66	-175	178.6	-179.7	0	113.6	P232	P232-K234 VanDerWaalsContact C-N 3.34Å; P232-K234 PolarHBondContact O-N 2.9Å
235	K	97	Very high	96.9	Very high	150 Å²	150	62.9 Å²	62.9	65%	0.652	32%	0.324	S	S	*	.	H	α-helix	trans	-83.1	-14.4	178.5	-67.2	-171.3	177.1	-179.3	0	112.7	K231 P232 Y233	K231-K235 HydrophobicContact CD-CB 4.21Å; K231-K235 HydrophobicContact CG-CB 4.04Å; P232-K235 HydrophobicContact CB-CG 4.49Å; P232-K235 HydrophobicContact CG-CD 4.28Å; P232-K235 WeakPolarHBondContact O-CA 3.29Å; P232-K235 WeakPolarHBondContact O-CB 3.25Å; P232-K235 PolarHBondContact O-N 2.88Å; Y233-K235 PolarHBondContact O-N 3.27Å
236	D	98	Very high	96.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-92.3	-7.8	179	-157.3	55.1	0	0	0	114.6	V180 T181 C191 Y229 K231 P232 Y233 F238	V180-D236 HydrophobicContact CB-CB 4.33Å; V180-D236 HydrophobicContact CG1-CB 4.21Å; T181-D236 WeakPolarHBondContact CB-OD2 3.38Å; T181-D236 WeakPolarHBondContact CG2-OD2 3.21Å; T181-D236 PolarHBondContact N-OD2 3.26Å; T181-D236 PolarHBondContact OG1-OD2 3.29Å; C191-D236 HydrophobicContact CB-CB 4.25Å; C191-D236 WeakPolarHBondContact CB-OD2 3.42Å; Y229-D236 HydrophobicContact CE1-CB 4.15Å; Y229-D236 PolarHBondContact OH-OD1 3.38Å; K231-D236 HydrophobicContact CD-CB 3.85Å; K231-D236 WeakPolarHBondContact CD-OD1 3.21Å; K231-D236 IonicContact NZ-OD1 2.7Å; K231-D236 PolarHBondContact NZ-OD1 3.37Å; P232-D236 PolarHBondContact O-N 2.86Å; Y233-D236 PolarHBondContact O-N 2.6Å; D236-F238 WeakPolarHBondContact O-CD2 3.1Å; D236-F238 VanDerWaalsContact O-CE2 3.32Å; D236-F238 WeakPolarHBondContact O-CE2 3.17Å; D236-F238 PolarHBondContact O-N 2.91Å
237	K	98.2	Very high	97	Very high	20 Å²	20	60.2 Å²	60.2	9%	0.087	31%	0.311	C	S	.	.			trans	-64.3	135.6	178.7	-73.5	-172.3	159.4	-163.2	0	112.4	E177 V180 Y239	E177-K237 VanDerWaalsContact O-CD 3.23Å; E177-K237 WeakPolarHBondContact O-CD 3.49Å; E177-K237 VanDerWaalsContact O-CE 3.31Å; E177-K237 WeakPolarHBondContact O-CE 3.42Å; E177-K237 PolarHBondContact O-NZ 3.06Å; V180-K237 HydrophobicContact CG1-CG 3.73Å; K237-Y239 HydrophobicContact CB-CD2 4.41Å; K237-Y239 HydrophobicContact CB-CE2 3.63Å; K237-Y239 WeakPolarHBondContact CD-OH 3.27Å
238	F	98.7	Very high	97.2	Very high	18 Å²	18	54.7 Å²	54.7	8%	0.079	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-112.2	133.6	167.9	-70.4	-95.4	0	0	0	109	I134 I142 V144 L146 W174 G178 I179 T181 D236	I134-F238 HydrophobicContact CD1-CB 3.94Å; I134-F238 HydrophobicContact CD1-CD1 4.16Å; I134-F238 HydrophobicContact CD1-CG 4.23Å; I142-F238 HydrophobicContact CG2-CE1 3.66Å; I142-F238 HydrophobicContact CG2-CZ 4.28Å; V144-F238 HydrophobicContact CG1-CE1 4.33Å; V144-F238 HydrophobicContact CG1-CE2 4.17Å; V144-F238 HydrophobicContact CG1-CZ 3.77Å; V144-F238 HydrophobicContact CG2-CE1 4.39Å; V144-F238 HydrophobicContact CG2-CZ 4.39Å; L146-F238 HydrophobicContact CD2-CB 3.88Å; L146-F238 HydrophobicContact CD2-CD2 3.95Å; L146-F238 HydrophobicContact CD2-CG 4.09Å; W174-F238 PolarHBondContact NE1-O 3.36Å; W174-F238 VanDerWaalsContact NE1-O 3.15Å; G178-F238 CarbonylContact C-O 3.44Å; G178-F238 WeakPolarHBondContact CA-O 2.86Å; I179-F238 PolarHBondContact N-O 2.73Å; I179-F238 PolarHBondContact O-N 2.74Å; T181-F238 HydrophobicContact CG2-CD2 4.05Å; T181-F238 HydrophobicContact CG2-CE2 3.57Å; D236-F238 WeakPolarHBondContact O-CD2 3.1Å; D236-F238 VanDerWaalsContact O-CE2 3.32Å; D236-F238 WeakPolarHBondContact O-CE2 3.17Å; D236-F238 PolarHBondContact O-N 2.91Å
239	Y	98.7	Very high	97.6	Very high	88 Å²	88	53.9 Å²	53.9	35%	0.345	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.6	-173	-65.8	-97.3	0	0	0	111.7	W174 E177 K237 N346	W174-Y239 WeakPolarHBondContact O-CA 3.45Å; E177-Y239 VanDerWaalsContact C-CE1 3.41Å; E177-Y239 WeakPolarHBondContact O-CE1 3.45Å; K237-Y239 HydrophobicContact CB-CD2 4.41Å; K237-Y239 HydrophobicContact CB-CE2 3.63Å; K237-Y239 WeakPolarHBondContact CD-OH 3.27Å; Y239-N346 WeakPolarHBondContact O-CB 3.32Å; Y239-N346 PolarHBondContact O-N 3.38Å
240	G	98.6	Very high	97.7	Very high	5 Å²	5	53.6 Å²	53.6	5%	0.052	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	137.3	162.4	0	0	0	0	0	110.5	W174 K175 L344	W174-G240 VanDerWaalsContact CD2-CA 3.47Å; W174-G240 VanDerWaalsContact CE2-N 3.32Å; W174-G240 VanDerWaalsContact CE3-CA 3.44Å; W174-G240 PolarHBondContact O-N 3.34Å; K175-G240 WeakPolarHBondContact CA-O 3.19Å; G240-L344 CarbonylContact C-O 3.29Å; G240-L344 WeakPolarHBondContact CA-O 3.48Å
241	K	98.5	Very high	98	Very high	141 Å²	141	54.3 Å²	54.3	61%	0.613	26%	0.263	S	S	*	.	S	Bend	trans	-74	-34.6	164.9	-176.6	177.3	-179.7	178.4	0	110.7	L344 N346	K241-L344 WeakPolarHBondContact CB-O 3.48Å; K241-L344 PolarHBondContact N-O 2.87Å; K241-N346 HydrophobicContact CB-CB 4.08Å
242	S	98.4	Very high	98.1	Very high	29 Å²	29	50.7 Å²	50.7	20%	0.203	25%	0.248	C	C	.	.			trans	-148	159	-178	58.4	0	0	0	0	111.8	Y244 G343 L344	S242-Y244 WeakPolarHBondContact OG-CE1 3.2Å; S242-G343 WeakPolarHBondContact O-CA 3.34Å; S242-L344 PolarHBondContact N-O 3.02Å; S242-L344 PolarHBondContact O-N 3.25Å; S242-L344 PolarHBondContact OG-N 3.09Å
243	S	98.6	Very high	98.2	Very high	5 Å²	5	47.1 Å²	47.1	4%	0.035	23%	0.225	C	C	.	.			trans	-138.2	131.7	174.1	171.9	0	0	0	0	107	R81 W171 D172	R81-S243 WeakPolarHBondContact CD-OG 3.4Å; W171-S243 VanDerWaalsContact CB-OG 3.24Å; W171-S243 WeakPolarHBondContact CB-OG 3.45Å; D172-S243 PolarHBondContact N-OG 3.27Å; D172-S243 WeakPolarHBondContact OD1-CB 3.48Å; D172-S243 PolarHBondContact OD1-OG 3.39Å
244	Y	98.8	Very high	98.2	Very high	13 Å²	13	47 Å²	47	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	158.4	-173.5	51.6	-96.5	0	0	0	112.7	P82 I84 R133 S242 V246 E256 T341 A342 G343 L344	P82-Y244 WeakPolarHBondContact O-CA 3.28Å; P82-Y244 WeakPolarHBondContact O-CB 3.36Å; I84-Y244 HydrophobicContact CB-CD2 4.03Å; I84-Y244 HydrophobicContact CB-CE2 4.29Å; I84-Y244 HydrophobicContact CG1-CD1 4.31Å; I84-Y244 HydrophobicContact CG1-CD2 3.47Å; I84-Y244 VanDerWaalsContact CG1-CD2 3.47Å; I84-Y244 HydrophobicContact CG1-CE2 3.94Å; I84-Y244 HydrophobicContact CG1-CG 3.68Å; R133-Y244 PolarHBondContact NH1-OH 2.97Å; S242-Y244 WeakPolarHBondContact OG-CE1 3.2Å; Y244-V246 HydrophobicContact CE2-CG2 4.39Å; Y244-E256 PolarHBondContact OH-OE1 3.38Å; Y244-T341 PolarHBondContact O-OG1 3.42Å; Y244-A342 HydrophobicContact CD2-CB 4.22Å; Y244-A342 HydrophobicContact CE2-CB 3.62Å; Y244-A342 PolarHBondContact N-O 3.19Å; Y244-A342 PolarHBondContact O-N 3.14Å; Y244-A342 VanDerWaalsContact O-O 3.04Å; Y244-G343 VanDerWaalsContact CE1-CA 3.42Å; Y244-L344 HydrophobicContact CE1-CG 4.21Å
245	N	98.6	Very high	98.3	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	151.8	166.6	-49.3	-56.1	0	0	0	109.5	R77 R81 P82 T83 I84	R77-N245 VanDerWaalsContact C-ND2 3.35Å; R77-N245 PolarHBondContact NH1-OD1 2.02Å; R77-N245 PolarHBondContact NH2-OD1 3.18Å; R77-N245 PolarHBondContact O-ND2 3.03Å; R81-N245 PolarHBondContact NH1-OD1 3.23Å; R81-N245 PolarHBondContact O-ND2 2.83Å; P82-N245 PolarHBondContact O-N 2.86Å; T83-N245 CarbonylContact C-O 3.2Å; T83-N245 WeakPolarHBondContact CA-O 3.39Å; T83-N245 HydrophobicContact CG2-CB 4.38Å; I84-N245 PolarHBondContact N-O 3.27Å
246	V	98.6	Very high	98.4	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.03	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.3	167.2	-171.4	0	0	0	0	107.9	Y244 I253 E256 V263 V340 A342	Y244-V246 HydrophobicContact CE2-CG2 4.39Å; V246-I253 HydrophobicContact CG1-CB 4.47Å; V246-I253 HydrophobicContact CG1-CG1 3.95Å; V246-E256 HydrophobicContact CG1-CB 3.95Å; V246-E256 HydrophobicContact CG1-CG 4.3Å; V246-E256 HydrophobicContact CG2-CB 4.36Å; V246-E256 HydrophobicContact CG2-CG 3.79Å; V246-V263 HydrophobicContact CG2-CG1 4.49Å; V246-V340 HydrophobicContact CB-CB 4.09Å; V246-V340 HydrophobicContact CB-CG1 3.76Å; V246-V340 HydrophobicContact CG1-CG1 4.48Å; V246-V340 HydrophobicContact CG2-CG1 3.74Å; V246-V340 PolarHBondContact N-O 3.38Å; V246-V340 VanDerWaalsContact N-O 3.1Å; V246-A342 HydrophobicContact CG2-CB 3.95Å
247	A	98.1	Very high	98.4	Very high	10 Å²	10	33.2 Å²	33.2	8%	0.083	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-61	146.1	177	0	0	0	0	0	110.3	T83 I84 E249 I253	T83-A247 HydrophobicContact CG2-CB 3.87Å; I84-A247 PolarHBondContact O-N 3.35Å; A247-E249 WeakPolarHBondContact CB-OE2 3.35Å; A247-E249 PolarHBondContact O-N 3.43Å; A247-I253 WeakPolarHBondContact O-CG1 3.4Å
248	S	97.6	Very high	98.4	Very high	60 Å²	60	33.4 Å²	33.4	42%	0.42	17%	0.167	S	C	.	.	S	Bend	trans	-75.3	-10.1	-168.7	50.7	0	0	0	0	114.3	E250 E337	S248-E250 PolarHBondContact O-N 3.28Å; S248-E337 WeakPolarHBondContact CA-O 3.43Å; S248-E337 WeakPolarHBondContact CB-O 3.41Å
249	E	97.8	Very high	98.4	Very high	114 Å²	114	35.7 Å²	35.7	53%	0.533	18%	0.179	S	C	.	.	S	Bend	trans	-63.8	133.3	175.4	-63.5	77.7	-175.2	0	0	110.1	A247 I251 S252 I253	A247-E249 WeakPolarHBondContact CB-OE2 3.35Å; A247-E249 PolarHBondContact O-N 3.43Å; E249-I251 PolarHBondContact O-N 2.83Å; E249-I251 VanDerWaalsContact O-N 3.14Å; E249-S252 WeakPolarHBondContact O-CB 3.42Å; E249-S252 PolarHBondContact O-N 2.89Å; E249-I253 PolarHBondContact O-N 2.97Å
250	E	97.4	Very high	98.4	Very high	55 Å²	55	32.5 Å²	32.5	26%	0.257	17%	0.169	S	C	.	.	H	α-helix	trans	-49.5	-46	-179	-175.5	-167.2	116.7	0	0	112.5	S248 S252 I253 M254 W309 R329 G330	S248-E250 PolarHBondContact O-N 3.28Å; E250-S252 VanDerWaalsContact C-N 3.27Å; E250-S252 PolarHBondContact O-N 2.96Å; E250-I253 PolarHBondContact O-N 3.25Å; E250-M254 HydrophobicContact CG-CG 4.33Å; E250-M254 HydrophobicContact CG-SD 3.76Å; E250-M254 WeakPolarHBondContact O-CB 3.28Å; E250-M254 VanDerWaalsContact O-CG 3.26Å; E250-M254 WeakPolarHBondContact O-CG 3.48Å; E250-M254 PolarHBondContact O-N 2.71Å; E250-M254 VanDerWaalsContact OE1-SD 3.33Å; E250-W309 HydrophobicContact CB-CZ2 4.44Å; E250-W309 HydrophobicContact CG-CH2 3.96Å; E250-W309 HydrophobicContact CG-CZ2 3.84Å; E250-R329 HydrophobicContact CG-CG 3.73Å; E250-R329 IonicContact OE1-CZ 3.24Å; E250-R329 IonicContact OE1-NH1 3.58Å; E250-R329 PolarHBondContact OE1-NH1 3.45Å; E250-R329 WeakPolarHBondContact OE2-CG 3.3Å; E250-R329 IonicContact OE2-CZ 3.24Å; E250-R329 IonicContact OE2-NH1 3.57Å; E250-R329 PolarHBondContact OE2-NH1 2.87Å; E250-G330 WeakPolarHBondContact OE2-CA 3.28Å
251	I	97.7	Very high	98.4	Very high	94 Å²	94	32.3 Å²	32.3	48%	0.482	17%	0.166	S	C	.	.	H	α-helix	trans	-62	-36.5	-178.9	-70.3	165.9	0	0	0	111.2	L93 E249 K255	L93-I251 HydrophobicContact CD1-CB 4.41Å; L93-I251 HydrophobicContact CD1-CG1 4.37Å; L93-I251 HydrophobicContact CD1-CG2 4.02Å; E249-I251 PolarHBondContact O-N 2.83Å; E249-I251 VanDerWaalsContact O-N 3.14Å; I251-K255 HydrophobicContact CG2-CD 4Å; I251-K255 HydrophobicContact CG2-CG 4.39Å; I251-K255 WeakPolarHBondContact O-CB 3.24Å; I251-K255 VanDerWaalsContact O-CG 3.24Å; I251-K255 WeakPolarHBondContact O-CG 3.16Å; I251-K255 PolarHBondContact O-N 3.38Å
252	S	98.4	Very high	98.4	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-67.4	-44	178.4	-61.9	0	0	0	0	111.4	S85 E249 E250 K255 E256	S85-S252 WeakPolarHBondContact CA-OG 3.27Å; S85-S252 WeakPolarHBondContact O-CA 3.32Å; S85-S252 VanDerWaalsContact O-CB 3.27Å; S85-S252 WeakPolarHBondContact O-CB 3.15Å; S85-S252 PolarHBondContact O-OG 3.46Å; E249-S252 WeakPolarHBondContact O-CB 3.42Å; E249-S252 PolarHBondContact O-N 2.89Å; E250-S252 VanDerWaalsContact C-N 3.27Å; E250-S252 PolarHBondContact O-N 2.96Å; S252-K255 PolarHBondContact O-N 3.16Å; S252-E256 WeakPolarHBondContact O-CB 3.13Å; S252-E256 PolarHBondContact O-N 2.97Å
253	I	98.8	Very high	98.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.7	-43.3	176.1	-58.9	163.8	0	0	0	110.7	V246 A247 E249 E250 E256 I257 W309 E337 V340	V246-I253 HydrophobicContact CG1-CB 4.47Å; V246-I253 HydrophobicContact CG1-CG1 3.95Å; A247-I253 WeakPolarHBondContact O-CG1 3.4Å; E249-I253 PolarHBondContact O-N 2.97Å; E250-I253 PolarHBondContact O-N 3.25Å; I253-E256 PolarHBondContact O-N 2.81Å; I253-I257 HydrophobicContact CG2-CD1 3.87Å; I253-I257 WeakPolarHBondContact O-CG1 3.24Å; I253-I257 PolarHBondContact O-N 2.71Å; I253-W309 HydrophobicContact CB-CH2 3.61Å; I253-W309 HydrophobicContact CB-CZ2 4.03Å; I253-W309 HydrophobicContact CB-CZ3 4.32Å; I253-W309 HydrophobicContact CD1-CZ2 4.08Å; I253-W309 HydrophobicContact CG2-CE3 4.44Å; I253-W309 HydrophobicContact CG2-CH2 3.52Å; I253-W309 HydrophobicContact CG2-CZ2 4Å; I253-W309 HydrophobicContact CG2-CZ3 3.78Å; I253-E337 HydrophobicContact CD1-CB 3.83Å; I253-E337 HydrophobicContact CD1-CG 3.91Å; I253-V340 HydrophobicContact CD1-CG2 3.83Å; I253-V340 HydrophobicContact CG1-CB 4.49Å; I253-V340 HydrophobicContact CG1-CG2 4.18Å; I253-V340 HydrophobicContact CG2-CG1 4.49Å
254	M	98.8	Very high	98.5	Very high	11 Å²	11	24 Å²	24	5%	0.054	13%	0.126	C	C	.	.	H	α-helix	trans	-60.6	-47.1	175.9	-71	167.6	79.5	0	0	111.9	L93 E250 I257 L258 W299 W309	L93-M254 HydrophobicContact CB-CE 3.81Å; L93-M254 HydrophobicContact CD1-CB 3.71Å; L93-M254 HydrophobicContact CD1-CE 3.82Å; L93-M254 HydrophobicContact CD1-CG 4.45Å; L93-M254 HydrophobicContact CD1-SD 3.91Å; L93-M254 HydrophobicContact CD2-CB 4.18Å; L93-M254 HydrophobicContact CG-CE 4.37Å; E250-M254 HydrophobicContact CG-CG 4.33Å; E250-M254 HydrophobicContact CG-SD 3.76Å; E250-M254 WeakPolarHBondContact O-CB 3.28Å; E250-M254 VanDerWaalsContact O-CG 3.26Å; E250-M254 WeakPolarHBondContact O-CG 3.48Å; E250-M254 PolarHBondContact O-N 2.71Å; E250-M254 VanDerWaalsContact OE1-SD 3.33Å; M254-I257 PolarHBondContact O-N 3.38Å; M254-L258 VanDerWaalsContact O-CB 3.29Å; M254-L258 WeakPolarHBondContact O-CB 3.37Å; M254-L258 PolarHBondContact O-N 3.31Å; M254-W299 HydrophobicContact CB-CD2 4.38Å; M254-W299 HydrophobicContact CB-CE3 4.26Å; M254-W299 HydrophobicContact CB-CH2 4.03Å; M254-W299 HydrophobicContact CB-CZ2 4.1Å; M254-W299 HydrophobicContact CB-CZ3 4.12Å; M254-W299 HydrophobicContact CE-CD2 4.09Å; M254-W299 VanDerWaalsContact CE-CE2 3.44Å; M254-W299 HydrophobicContact CE-CG 4.19Å; M254-W299 HydrophobicContact CE-CZ2 3.91Å; M254-W299 HydrophobicContact CG-CD2 3.83Å; M254-W299 HydrophobicContact CG-CE3 4.01Å; M254-W299 HydrophobicContact CG-CG 4.28Å; M254-W299 HydrophobicContact CG-CZ2 4.3Å; M254-W299 HydrophobicContact CG-CZ3 4.37Å; M254-W299 VanDerWaalsContact O-CH2 3.29Å; M254-W299 WeakPolarHBondContact O-CH2 3.22Å; M254-W299 WeakPolarHBondContact O-CZ3 3.48Å; M254-W309 HydrophobicContact CG-CH2 3.71Å; M254-W309 HydrophobicContact CG-CZ3 3.83Å
255	K	98.7	Very high	98.5	Very high	23 Å²	23	23.3 Å²	23.3	10%	0.1	12%	0.123	C	C	.	.	H	α-helix	trans	-61.6	-44.8	176.9	-76.4	175.2	179	179.3	0	111	H86 V89 I91 L93 I251 S252 I257 L258 L259	H86-K255 HydrophobicContact CB-CB 3.84Å; H86-K255 HydrophobicContact CB-CD 3.57Å; H86-K255 HydrophobicContact CB-CG 4.35Å; H86-K255 PolarHBondContact O-NZ 2.95Å; V89-K255 WeakPolarHBondContact O-CE 3.47Å; V89-K255 PolarHBondContact O-NZ 2.88Å; I91-K255 HydrophobicContact CG2-CG 4.07Å; L93-K255 HydrophobicContact CD1-CG 4.28Å; L93-K255 HydrophobicContact CD2-CG 3.96Å; L93-K255 HydrophobicContact CG-CG 4.48Å; I251-K255 HydrophobicContact CG2-CD 4Å; I251-K255 HydrophobicContact CG2-CG 4.39Å; I251-K255 WeakPolarHBondContact O-CB 3.24Å; I251-K255 VanDerWaalsContact O-CG 3.24Å; I251-K255 WeakPolarHBondContact O-CG 3.16Å; I251-K255 PolarHBondContact O-N 3.38Å; S252-K255 PolarHBondContact O-N 3.16Å; K255-I257 PolarHBondContact O-N 3.46Å; K255-L258 PolarHBondContact O-N 2.9Å; K255-L259 HydrophobicContact CB-CD1 4.4Å; K255-L259 VanDerWaalsContact O-CB 3.31Å; K255-L259 WeakPolarHBondContact O-CB 3.45Å; K255-L259 WeakPolarHBondContact O-CD1 3.39Å; K255-L259 WeakPolarHBondContact O-CG 3.36Å; K255-L259 PolarHBondContact O-N 3.32Å
256	E	98.8	Very high	98.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.1	-48	177.9	175.5	60.5	-164.8	0	0	111.6	H86 R133 Y244 V246 S252 I253 L259 N260 V263 A342	H86-E256 IonicContact CD2-OE2 3.85Å; H86-E256 IonicContact CE1-OE2 3.45Å; H86-E256 PolarHBondContact CE1-OE2 2.93Å; H86-E256 IonicContact NE2-OE2 2.71Å; H86-E256 PolarHBondContact NE2-OE2 3.45Å; R133-E256 IonicContact CZ-OE1 3.22Å; R133-E256 VanDerWaalsContact CZ-OE1 3.22Å; R133-E256 IonicContact NH1-OE1 2.71Å; R133-E256 PolarHBondContact NH1-OE1 3.46Å; R133-E256 IonicContact NH2-OE1 2.81Å; R133-E256 PolarHBondContact NH2-OE1 2.97Å; Y244-E256 PolarHBondContact OH-OE1 3.38Å; V246-E256 HydrophobicContact CG1-CB 3.95Å; V246-E256 HydrophobicContact CG1-CG 4.3Å; V246-E256 HydrophobicContact CG2-CB 4.36Å; V246-E256 HydrophobicContact CG2-CG 3.79Å; S252-E256 WeakPolarHBondContact O-CB 3.13Å; S252-E256 PolarHBondContact O-N 2.97Å; I253-E256 PolarHBondContact O-N 2.81Å; E256-L259 PolarHBondContact O-N 2.81Å; E256-N260 WeakPolarHBondContact O-CB 3.48Å; E256-N260 PolarHBondContact O-N 2.78Å; E256-N260 PolarHBondContact OE1-ND2 3.49Å; E256-N260 PolarHBondContact OE2-ND2 3.28Å; E256-V263 HydrophobicContact CB-CG1 4.49Å; E256-V263 HydrophobicContact CG-CG1 3.54Å; E256-A342 HydrophobicContact CG-CB 4.48Å
257	I	98.9	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.8	-44.1	177.9	-66.7	166.7	0	0	0	110.5	F97 W103 I253 M254 K255 L259 G261 V263 I296 W299 W309	F97-I257 HydrophobicContact CD1-CG2 3.97Å; F97-I257 HydrophobicContact CE1-CG2 3.78Å; W103-I257 WeakPolarHBondContact CH2-O 3.01Å; I253-I257 HydrophobicContact CG2-CD1 3.87Å; I253-I257 WeakPolarHBondContact O-CG1 3.24Å; I253-I257 PolarHBondContact O-N 2.71Å; M254-I257 PolarHBondContact O-N 3.38Å; K255-I257 PolarHBondContact O-N 3.46Å; I257-L259 PolarHBondContact O-N 3.48Å; I257-G261 WeakPolarHBondContact CA-O 3.49Å; I257-G261 WeakPolarHBondContact O-CA 3.21Å; I257-G261 PolarHBondContact O-N 3.44Å; I257-V263 HydrophobicContact CD1-CG2 3.93Å; I257-V263 HydrophobicContact CG1-CB 4.49Å; I257-V263 HydrophobicContact CG1-CG1 3.95Å; I257-V263 HydrophobicContact CG1-CG2 3.82Å; I257-I296 HydrophobicContact CD1-CB 4.12Å; I257-I296 HydrophobicContact CD1-CG2 3.65Å; I257-W299 HydrophobicContact CB-CZ3 3.87Å; I257-W299 HydrophobicContact CG2-CE3 4.43Å; I257-W299 HydrophobicContact CG2-CZ3 3.79Å; I257-W309 HydrophobicContact CD1-CZ3 4.28Å
258	L	98.5	Very high	98.5	Very high	23 Å²	23	26.2 Å²	26.2	12%	0.12	13%	0.132	C	C	.	.	H	α-helix	trans	-60.7	-42.7	-179.8	-174.2	56.5	0	0	0	112.7	I91 L93 F97 W103 M254 K255 W299	I91-L258 HydrophobicContact CD1-CD2 3.65Å; I91-L258 HydrophobicContact CD1-CG 4.5Å; I91-L258 HydrophobicContact CG1-CD2 4.22Å; L93-L258 HydrophobicContact CD2-CD2 3.65Å; F97-L258 HydrophobicContact CD2-CD1 3.65Å; F97-L258 HydrophobicContact CE2-CD1 3.23Å; F97-L258 HydrophobicContact CZ-CD1 3.83Å; W103-L258 WeakPolarHBondContact CH2-O 3.45Å; W103-L258 WeakPolarHBondContact CZ2-O 3.49Å; M254-L258 VanDerWaalsContact O-CB 3.29Å; M254-L258 WeakPolarHBondContact O-CB 3.37Å; M254-L258 PolarHBondContact O-N 3.31Å; K255-L258 PolarHBondContact O-N 2.9Å; L258-W299 HydrophobicContact CB-CH2 4.04Å
259	L	98.3	Very high	98.5	Very high	66 Å²	66	23.4 Å²	23.4	35%	0.346	11%	0.112	S	C	.	.	H	α-helix	trans	-82.7	-40.3	-172	-67.1	167.7	0	0	0	112	V89 K255 E256 I257	V89-L259 HydrophobicContact CG1-CD1 4.19Å; V89-L259 HydrophobicContact CG2-CD1 4.46Å; K255-L259 HydrophobicContact CB-CD1 4.4Å; K255-L259 VanDerWaalsContact O-CB 3.31Å; K255-L259 WeakPolarHBondContact O-CB 3.45Å; K255-L259 WeakPolarHBondContact O-CD1 3.39Å; K255-L259 WeakPolarHBondContact O-CG 3.36Å; K255-L259 PolarHBondContact O-N 3.32Å; E256-L259 PolarHBondContact O-N 2.81Å; I257-L259 PolarHBondContact O-N 3.48Å
260	N	98.6	Very high	98.5	Very high	22 Å²	22	20.7 Å²	20.7	12%	0.118	10%	0.097	C	C	.	.	H	α-helix	trans	-119.9	-13.1	-165.8	-59.2	-48.1	0	0	0	113.1	R133 H137 E256 L344	R133-N260 WeakPolarHBondContact CG-O 3.34Å; H137-N260 PolarHBondContact CE1-OD1 3.47Å; H137-N260 PolarHBondContact NE2-O 3.03Å; E256-N260 WeakPolarHBondContact O-CB 3.48Å; E256-N260 PolarHBondContact O-N 2.78Å; E256-N260 PolarHBondContact OE1-ND2 3.49Å; E256-N260 PolarHBondContact OE2-ND2 3.28Å; N260-L344 HydrophobicContact CB-CD2 4.02Å
261	G	98.7	Very high	98.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.			trans	96.6	-172.7	-177.7	0	0	0	0	0	114.1	R133 I257	R133-G261 PolarHBondContact NH2-O 3.36Å; I257-G261 WeakPolarHBondContact CA-O 3.49Å; I257-G261 WeakPolarHBondContact O-CA 3.21Å; I257-G261 PolarHBondContact O-N 3.44Å
262	P	98.9	Very high	98.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.			trans	-50.1	146	-172.6	-31.8	39.2	0	0	0	114.8	I109 D132 R133 R295 I296 I297	I109-P262 HydrophobicContact CG2-CG 4.18Å; D132-P262 HydrophobicContact CB-CG 4.18Å; D132-P262 WeakPolarHBondContact OD2-CG 3.09Å; R133-P262 PolarHBondContact NE-O 2.86Å; R133-P262 PolarHBondContact NH2-O 2.03Å; P262-R295 HydrophobicContact CB-CG 3.65Å; P262-I296 VanDerWaalsContact CA-O 3.28Å; P262-I296 WeakPolarHBondContact CA-O 3.21Å; P262-I297 HydrophobicContact CB-CG2 3.99Å; P262-I297 HydrophobicContact CG-CB 4.23Å; P262-I297 HydrophobicContact CG-CG2 3.89Å
263	V	98.9	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	157	178.6	-63.8	0	0	0	0	109.9	S129 V246 E256 I257 R295 I296 V340 A342	S129-V263 PolarHBondContact OG-O 3.24Å; V246-V263 HydrophobicContact CG2-CG1 4.49Å; E256-V263 HydrophobicContact CB-CG1 4.49Å; E256-V263 HydrophobicContact CG-CG1 3.54Å; I257-V263 HydrophobicContact CD1-CG2 3.93Å; I257-V263 HydrophobicContact CG1-CB 4.49Å; I257-V263 HydrophobicContact CG1-CG1 3.95Å; I257-V263 HydrophobicContact CG1-CG2 3.82Å; V263-R295 CarbonylContact O-C 3.5Å; V263-R295 WeakPolarHBondContact O-CA 3.23Å; V263-I296 HydrophobicContact CG2-CB 3.75Å; V263-I296 HydrophobicContact CG2-CD1 4.16Å; V263-I296 HydrophobicContact CG2-CG1 4.2Å; V263-I296 PolarHBondContact N-O 3.46Å; V263-I296 VanDerWaalsContact N-O 3.12Å; V263-I296 PolarHBondContact O-N 2.64Å; V263-V340 HydrophobicContact CB-CG1 3.75Å; V263-V340 HydrophobicContact CG1-CG1 4.27Å; V263-V340 HydrophobicContact CG2-CG1 3.51Å; V263-A342 HydrophobicContact CG1-CB 4.01Å
264	E	98.9	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.7	168.5	-177	178.6	-159.1	0	0	109.6	A126 S129 P167 W171 I294 V340 T341	A126-E264 WeakPolarHBondContact CA-OE2 3.49Å; A126-E264 WeakPolarHBondContact CB-OE2 3.26Å; A126-E264 VanDerWaalsContact N-CD 3.26Å; A126-E264 PolarHBondContact N-OE1 3.28Å; S129-E264 PolarHBondContact OG-N 2.93Å; P167-E264 HydrophobicContact CB-CG 4.45Å; W171-E264 HydrophobicContact CZ2-CB 4Å; W171-E264 PolarHBondContact NE1-OE2 2.87Å; E264-I294 WeakPolarHBondContact CA-O 3.47Å; E264-V340 WeakPolarHBondContact O-CA 3.13Å; E264-T341 HydrophobicContact CB-CG2 4.07Å; E264-T341 HydrophobicContact CG-CG2 4.38Å; E264-T341 PolarHBondContact N-O 3.39Å; E264-T341 VanDerWaalsContact N-O 3.15Å; E264-T341 PolarHBondContact O-N 3.19Å
265	G	98.7	Very high	98.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.2	175	0	0	0	0	0	111	A293 I294	G265-A293 WeakPolarHBondContact O-CA 3.5Å; G265-I294 PolarHBondContact N-O 3.21Å; G265-I294 PolarHBondContact O-N 3.23Å
266	G	98.5	Very high	98.4	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.01	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	148.4	166.9	0	0	0	0	0	111.6	H292 I336 M339	G266-H292 CarbonylContact C-O 3.56Å; G266-H292 VanDerWaalsContact CA-O 3.27Å; G266-H292 WeakPolarHBondContact CA-O 3.4Å; G266-I336 WeakPolarHBondContact O-CA 3.45Å; G266-M339 PolarHBondContact N-O 3.36Å; G266-M339 WeakPolarHBondContact O-CB 3.4Å
267	F	98.7	Very high	98.3	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	161.7	173	74.9	-69.4	0	0	0	111.8	V269 F273 H292 I294 F325 I327 C334 I336	F267-V269 HydrophobicContact CD2-CG2 4.37Å; F267-V269 HydrophobicContact CE1-CG2 4.28Å; F267-V269 HydrophobicContact CE2-CG2 3.69Å; F267-V269 HydrophobicContact CZ-CG2 3.63Å; F267-F273 HydrophobicContact CE2-CD1 4.32Å; F267-F273 HydrophobicContact CE2-CD2 4.39Å; F267-F273 HydrophobicContact CE2-CE1 4.07Å; F267-F273 HydrophobicContact CE2-CE2 4.14Å; F267-F273 HydrophobicContact CE2-CG 4.46Å; F267-F273 AromaticContact CE2-CZ 3.95Å; F267-F273 HydrophobicContact CE2-CZ 3.95Å; F267-F273 HydrophobicContact CZ-CD1 4.24Å; F267-F273 AromaticContact CZ-CE1 3.61Å; F267-F273 HydrophobicContact CZ-CE1 3.61Å; F267-F273 HydrophobicContact CZ-CE2 4.19Å; F267-F273 AromaticContact CZ-CZ 3.55Å; F267-F273 HydrophobicContact CZ-CZ 3.55Å; F267-H292 HydrophobicContact CD1-CB 4.39Å; F267-H292 HydrophobicContact CE1-CB 3.89Å; F267-H292 AromaticContact CE1-CD2 3.73Å; F267-H292 HydrophobicContact CZ-CB 4.33Å; F267-H292 PolarHBondContact N-O 3.42Å; F267-H292 PolarHBondContact O-N 3.48Å; F267-I294 HydrophobicContact CD1-CG1 4.07Å; F267-I294 HydrophobicContact CE1-CG1 4.05Å; F267-I294 HydrophobicContact CE1-CG2 3.84Å; F267-F325 HydrophobicContact CE1-CZ 4.11Å; F267-F325 HydrophobicContact CZ-CE2 4.5Å; F267-F325 HydrophobicContact CZ-CZ 4.08Å; F267-I327 HydrophobicContact CD2-CD1 4.28Å; F267-C334 WeakPolarHBondContact CA-O 3.32Å; F267-C334 HydrophobicContact CB-CB 4.32Å; F267-C334 WeakPolarHBondContact CB-O 3.13Å; F267-C334 HydrophobicContact CD2-CB 4.02Å; F267-I336 HydrophobicContact CB-CB 3.9Å; F267-I336 HydrophobicContact CB-CG1 4.12Å
268	Y	98.6	Very high	98.3	Very high	77 Å²	77	17.5 Å²	17.5	30%	0.302	8%	0.083	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121.4	175.2	-57.5	-51.3	0	0	0	110.4	F71 Y288 C334	F71-Y268 HydrophobicContact CD2-CD1 4.28Å; F71-Y268 AromaticContact CD2-CE1 3.68Å; F71-Y268 HydrophobicContact CD2-CE1 3.68Å; F71-Y268 AromaticContact CE2-CD1 3.54Å; F71-Y268 HydrophobicContact CE2-CD1 3.54Å; F71-Y268 AromaticContact CE2-CE1 3.39Å; F71-Y268 HydrophobicContact CE2-CE1 3.39Å; F71-Y268 HydrophobicContact CG-CE1 4.44Å; F71-Y268 AromaticContact CZ-CD1 3.96Å; F71-Y268 HydrophobicContact CZ-CD1 3.96Å; F71-Y268 AromaticContact CZ-CE1 3.95Å; F71-Y268 HydrophobicContact CZ-CE1 3.95Å; Y268-Y288 AromaticContact CD1-CE2 3.6Å; Y268-Y288 HydrophobicContact CD1-CE2 3.6Å; Y268-Y288 AromaticContact CG-CE2 3.98Å; Y268-Y288 HydrophobicContact CG-CE2 3.98Å; Y268-C334 VanDerWaalsContact CD2-O 3.24Å; Y268-C334 WeakPolarHBondContact CD2-O 3.27Å; Y268-C334 PolarHBondContact N-O 3.17Å; Y268-C334 WeakPolarHBondContact O-CB 3.39Å
269	V	98.6	Very high	98.2	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.8	173.9	176.4	0	0	0	0	109.4	M67 F267 F273 L274 L289 G290 H292	M67-V269 HydrophobicContact CE-CB 4.37Å; M67-V269 HydrophobicContact CE-CG1 3.92Å; M67-V269 HydrophobicContact CE-CG2 4.4Å; M67-V269 HydrophobicContact SD-CB 3.8Å; M67-V269 HydrophobicContact SD-CG1 4.03Å; M67-V269 HydrophobicContact SD-CG2 3.62Å; F267-V269 HydrophobicContact CD2-CG2 4.37Å; F267-V269 HydrophobicContact CE1-CG2 4.28Å; F267-V269 HydrophobicContact CE2-CG2 3.69Å; F267-V269 HydrophobicContact CZ-CG2 3.63Å; V269-F273 HydrophobicContact CG1-CB 4.26Å; V269-F273 HydrophobicContact CG1-CD1 3.93Å; V269-F273 HydrophobicContact CG1-CG 4.5Å; V269-F273 HydrophobicContact CG2-CD1 4.3Å; V269-L274 HydrophobicContact CG1-CD2 4.29Å; V269-L289 HydrophobicContact CG1-CB 4.34Å; V269-L289 HydrophobicContact CG1-CD1 4.25Å; V269-L289 PolarHBondContact O-N 3.46Å; V269-G290 PolarHBondContact N-O 3.42Å; V269-H292 HydrophobicContact CG2-CB 3.39Å
270	Y	98.1	Very high	98.2	Very high	57 Å²	57	14 Å²	14	22%	0.224	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	160.8	172	-65.1	-92.2	0	0	0	110.3	D272 F273 H283 S287 C334	Y270-D272 VanDerWaalsContact C-N 3.27Å; Y270-D272 WeakPolarHBondContact CB-OD1 3.29Å; Y270-D272 PolarHBondContact O-N 3.15Å; Y270-F273 VanDerWaalsContact O-CB 3.32Å; Y270-F273 WeakPolarHBondContact O-CB 3.15Å; Y270-F273 PolarHBondContact O-N 3.04Å; Y270-F273 VanDerWaalsContact O-N 3.13Å; Y270-H283 VanDerWaalsContact CB-CE1 3.48Å; Y270-H283 WeakPolarHBondContact CB-CE1 3.41Å; Y270-H283 VanDerWaalsContact CB-ND1 3.29Å; Y270-H283 WeakPolarHBondContact CB-ND1 3.42Å; Y270-H283 AromaticContact CD1-CE1 3.49Å; Y270-H283 VanDerWaalsContact CD1-CE1 3.49Å; Y270-H283 WeakPolarHBondContact CD1-CE1 3.25Å; Y270-H283 AromaticContact CD1-ND1 3.92Å; Y270-H283 AromaticContact CD1-NE2 3.69Å; Y270-H283 HydrophobicContact CD2-CB 4.3Å; Y270-H283 AromaticContact CD2-CG 3.98Å; Y270-H283 AromaticContact CD2-ND1 3.96Å; Y270-H283 AromaticContact CG-CE1 3.51Å; Y270-H283 AromaticContact CG-CG 3.89Å; Y270-H283 AromaticContact CG-ND1 3.46Å; Y270-S287 WeakPolarHBondContact CA-O 3.39Å; Y270-C334 HydrophobicContact CE2-CB 4.41Å
271	E	97.6	Very high	98.2	Very high	11 Å²	11	13 Å²	13	5%	0.051	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-51.4	-37.8	-178.2	-86	175.8	175.6	0	0	115	P32 G286 S287 L289	P32-E271 HydrophobicContact CB-CB 3.7Å; P32-E271 HydrophobicContact CB-CG 3.72Å; P32-E271 HydrophobicContact CG-CB 3.86Å; P32-E271 HydrophobicContact CG-CG 3.4Å; P32-E271 VanDerWaalsContact CG-CG 3.4Å; E271-G286 WeakPolarHBondContact OE2-CA 3.35Å; E271-S287 VanDerWaalsContact CD-N 3.25Å; E271-S287 WeakPolarHBondContact CG-O 3.31Å; E271-S287 PolarHBondContact N-O 3.06Å; E271-S287 PolarHBondContact OE1-OG 3.3Å; E271-S287 PolarHBondContact OE2-N 3.15Å; E271-L289 HydrophobicContact CG-CD1 4.22Å; E271-L289 HydrophobicContact CG-CD2 3.67Å; E271-L289 HydrophobicContact CG-CG 3.96Å
272	D	97.2	Very high	98.2	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-70.9	-30.9	179.9	57.1	-9.8	0	0	0	113.7	L37 I41 W49 Y270 L274 N275 Y281 H283 I284 T285	L37-D272 HydrophobicContact CD2-CB 4.45Å; I41-D272 HydrophobicContact CD1-CB 4.34Å; W49-D272 HydrophobicContact CH2-CB 4.11Å; W49-D272 WeakPolarHBondContact CH2-O 3.48Å; W49-D272 HydrophobicContact CZ2-CB 4.23Å; Y270-D272 VanDerWaalsContact C-N 3.27Å; Y270-D272 WeakPolarHBondContact CB-OD1 3.29Å; Y270-D272 PolarHBondContact O-N 3.15Å; D272-L274 PolarHBondContact O-N 2.91Å; D272-N275 PolarHBondContact O-N 2.89Å; D272-Y281 PolarHBondContact OD1-OH 2.65Å; D272-H283 IonicContact OD1-CE1 3.41Å; D272-H283 IonicContact OD1-ND1 3.27Å; D272-H283 PolarHBondContact OD1-ND1 3.27Å; D272-H283 IonicContact OD2-ND1 2.77Å; D272-H283 PolarHBondContact OD2-ND1 3.31Å; D272-I284 PolarHBondContact OD2-N 3.24Å; D272-T285 HydrophobicContact CB-CG2 4.41Å; D272-T285 WeakPolarHBondContact CB-O 3.3Å; D272-T285 PolarHBondContact OD2-N 2.89Å; D272-T285 VanDerWaalsContact OD2-O 3.13Å
273	F	98.3	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-58	-29.8	177.9	-175.6	-106.5	0	0	0	113.7	F267 V269 Y270 N275 Y276 Y281 W315 W319 F325	F267-F273 HydrophobicContact CE2-CD1 4.32Å; F267-F273 HydrophobicContact CE2-CD2 4.39Å; F267-F273 HydrophobicContact CE2-CE1 4.07Å; F267-F273 HydrophobicContact CE2-CE2 4.14Å; F267-F273 HydrophobicContact CE2-CG 4.46Å; F267-F273 AromaticContact CE2-CZ 3.95Å; F267-F273 HydrophobicContact CE2-CZ 3.95Å; F267-F273 HydrophobicContact CZ-CD1 4.24Å; F267-F273 AromaticContact CZ-CE1 3.61Å; F267-F273 HydrophobicContact CZ-CE1 3.61Å; F267-F273 HydrophobicContact CZ-CE2 4.19Å; F267-F273 AromaticContact CZ-CZ 3.55Å; F267-F273 HydrophobicContact CZ-CZ 3.55Å; V269-F273 HydrophobicContact CG1-CB 4.26Å; V269-F273 HydrophobicContact CG1-CD1 3.93Å; V269-F273 HydrophobicContact CG1-CG 4.5Å; V269-F273 HydrophobicContact CG2-CD1 4.3Å; Y270-F273 VanDerWaalsContact O-CB 3.32Å; Y270-F273 WeakPolarHBondContact O-CB 3.15Å; Y270-F273 PolarHBondContact O-N 3.04Å; Y270-F273 VanDerWaalsContact O-N 3.13Å; F273-N275 PolarHBondContact O-N 2.86Å; F273-N275 VanDerWaalsContact O-N 3.08Å; F273-Y276 VanDerWaalsContact O-CB 3.29Å; F273-Y276 WeakPolarHBondContact O-CB 3.18Å; F273-Y276 PolarHBondContact O-N 2.97Å; F273-Y281 HydrophobicContact CB-CE1 4.46Å; F273-Y281 HydrophobicContact CB-CE2 3.87Å; F273-Y281 AromaticContact CD2-CD1 3.8Å; F273-Y281 HydrophobicContact CD2-CD1 3.8Å; F273-Y281 AromaticContact CD2-CD2 3.81Å; F273-Y281 HydrophobicContact CD2-CD2 3.81Å; F273-Y281 AromaticContact CD2-CE1 3.77Å; F273-Y281 HydrophobicContact CD2-CE1 3.77Å; F273-Y281 AromaticContact CD2-CE2 3.77Å; F273-Y281 HydrophobicContact CD2-CE2 3.77Å; F273-Y281 AromaticContact CD2-CG 3.82Å; F273-Y281 HydrophobicContact CD2-CG 3.82Å; F273-Y281 AromaticContact CD2-CZ 3.76Å; F273-Y281 HydrophobicContact CE2-CD1 4.2Å; F273-Y281 HydrophobicContact CE2-CG 4.25Å; F273-Y281 HydrophobicContact CG-CE1 4.49Å; F273-Y281 HydrophobicContact CG-CE2 4.33Å; F273-W315 HydrophobicContact CD1-CH2 4.02Å; F273-W315 HydrophobicContact CD1-CZ3 4.13Å; F273-W315 AromaticContact CE1-CH2 3.8Å; F273-W315 HydrophobicContact CE1-CH2 3.8Å; F273-W315 AromaticContact CE1-CZ3 3.83Å; F273-W315 HydrophobicContact CE1-CZ3 3.83Å; F273-W319 HydrophobicContact CD1-CZ2 4.16Å; F273-W319 AromaticContact CE1-CH2 3.7Å; F273-W319 HydrophobicContact CE1-CH2 3.7Å; F273-W319 AromaticContact CE1-CZ2 3.59Å; F273-W319 HydrophobicContact CE1-CZ2 3.59Å; F273-W319 AromaticContact CE2-CH2 3.98Å; F273-W319 HydrophobicContact CE2-CH2 3.98Å; F273-W319 HydrophobicContact CE2-CZ2 4.28Å; F273-W319 AromaticContact CZ-CH2 3.33Å; F273-W319 HydrophobicContact CZ-CH2 3.33Å; F273-W319 AromaticContact CZ-CZ2 3.68Å; F273-W319 HydrophobicContact CZ-CZ2 3.68Å; F273-W319 HydrophobicContact CZ-CZ3 4.47Å; F273-F325 AromaticContact CE2-CD2 3.7Å; F273-F325 HydrophobicContact CE2-CD2 3.7Å; F273-F325 AromaticContact CE2-CE2 3.83Å; F273-F325 HydrophobicContact CE2-CE2 3.83Å; F273-F325 HydrophobicContact CE2-CG 4.17Å; F273-F325 HydrophobicContact CE2-CZ 4.4Å; F273-F325 HydrophobicContact CZ-CD1 4.25Å; F273-F325 AromaticContact CZ-CD2 3.97Å; F273-F325 HydrophobicContact CZ-CD2 3.97Å; F273-F325 HydrophobicContact CZ-CE1 4.19Å; F273-F325 AromaticContact CZ-CE2 3.91Å; F273-F325 HydrophobicContact CZ-CE2 3.91Å; F273-F325 HydrophobicContact CZ-CG 4.13Å; F273-F325 HydrophobicContact CZ-CZ 4.01Å
274	L	97.3	Very high	97.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-56.1	-31.8	-177.4	-58.9	-172.9	0	0	0	112.6	L33 T54 F57 I60 A63 M67 V269 D272 L289 W315 W319	L33-L274 HydrophobicContact CD2-CB 4.16Å; L33-L274 HydrophobicContact CD2-CD1 3.96Å; T54-L274 VanDerWaalsContact CB-O 3.27Å; T54-L274 WeakPolarHBondContact CB-O 3.34Å; T54-L274 WeakPolarHBondContact CG2-O 3.29Å; F57-L274 HydrophobicContact CD2-CB 4.43Å; F57-L274 HydrophobicContact CD2-CD2 4.14Å; F57-L274 HydrophobicContact CE2-CD2 3.98Å; I60-L274 HydrophobicContact CD1-CD1 4.11Å; A63-L274 HydrophobicContact CB-CD1 3.63Å; A63-L274 HydrophobicContact CB-CD2 3.78Å; A63-L274 HydrophobicContact CB-CG 4.38Å; M67-L274 HydrophobicContact CE-CD2 4.34Å; V269-L274 HydrophobicContact CG1-CD2 4.29Å; D272-L274 PolarHBondContact O-N 2.91Å; L274-L289 HydrophobicContact CD1-CD1 3.68Å; L274-L289 HydrophobicContact CD2-CD1 3.82Å; L274-L289 HydrophobicContact CG-CD1 3.82Å; L274-W315 HydrophobicContact CD2-CH2 4.42Å; L274-W319 PolarHBondContact O-NE1 3.06Å
275	N	97	Very high	97.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-97.9	12.4	-179.3	-59.3	-77	0	0	0	113.3	P32 I38 A51 Q52 D272 F273 K277	P32-N275 PolarHBondContact O-ND2 2.63Å; I38-N275 HydrophobicContact CG1-CB 4.2Å; A51-N275 CarbonylContact C-O 3.6Å; A51-N275 WeakPolarHBondContact CA-O 3.32Å; A51-N275 HydrophobicContact CB-CB 4.14Å; Q52-N275 PolarHBondContact N-O 2.81Å; Q52-N275 WeakPolarHBondContact O-CA 3.49Å; Q52-N275 WeakPolarHBondContact O-CB 3.43Å; Q52-N275 VanDerWaalsContact O-O 3.08Å; D272-N275 PolarHBondContact O-N 2.89Å; F273-N275 PolarHBondContact O-N 2.86Å; F273-N275 VanDerWaalsContact O-N 3.08Å; N275-K277 PolarHBondContact O-N 2.61Å
276	Y	98.4	Very high	97.6	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.02	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	132.6	177.1	174.9	-89.2	0	0	0	110.9	W49 F273 G279 Y281 W319 G320 F325 K326	W49-Y276 HydrophobicContact CB-CE2 4.32Å; W49-Y276 HydrophobicContact CE3-CD2 4.02Å; F273-Y276 VanDerWaalsContact O-CB 3.29Å; F273-Y276 WeakPolarHBondContact O-CB 3.18Å; F273-Y276 PolarHBondContact O-N 2.97Å; Y276-G279 WeakPolarHBondContact CE2-O 3.39Å; Y276-G279 PolarHBondContact OH-N 3.37Å; Y276-G279 PolarHBondContact OH-O 3Å; Y276-Y281 HydrophobicContact CD2-CD2 4.35Å; Y276-Y281 HydrophobicContact CD2-CG 4.47Å; Y276-W319 AromaticContact CD1-CH2 3.93Å; Y276-W319 HydrophobicContact CD1-CH2 3.93Å; Y276-W319 HydrophobicContact CD1-CZ2 4.32Å; Y276-W319 HydrophobicContact CD1-CZ3 4.38Å; Y276-W319 HydrophobicContact CG-CH2 4.37Å; Y276-W319 HydrophobicContact CG-CZ2 4.5Å; Y276-G320 WeakPolarHBondContact O-CA 3.18Å; Y276-F325 HydrophobicContact CD1-CB 3.6Å; Y276-F325 HydrophobicContact CE1-CB 3.21Å; Y276-F325 HydrophobicContact CE2-CB 4.26Å; Y276-F325 HydrophobicContact CG-CB 4.3Å; Y276-K326 PolarHBondContact OH-N 3.48Å
277	K	98	Very high	97.5	Very high	63 Å²	63	26 Å²	26	27%	0.274	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	-45.2	173.3	-177.4	60.6	-168.5	163	0	114	K50 Q52 N275 G320 D321	K50-K277 WeakPolarHBondContact O-CB 3.49Å; K50-K277 PolarHBondContact O-N 3.05Å; Q52-K277 HydrophobicContact CB-CB 3.66Å; Q52-K277 HydrophobicContact CB-CD 4.19Å; Q52-K277 HydrophobicContact CB-CG 3.85Å; N275-K277 PolarHBondContact O-N 2.61Å; K277-G320 WeakPolarHBondContact CD-O 3.21Å; K277-G320 PolarHBondContact NZ-O 3.17Å; K277-G320 CarbonylContact O-C 3.41Å; K277-G320 VanDerWaalsContact O-C 3.3Å; K277-D321 PolarHBondContact O-N 3.49Å
278	S	97.8	Very high	97.4	Very high	39 Å²	39	31.1 Å²	31.1	27%	0.273	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	166.1	-175.5	59.3	0	0	0	0	111.2	W49 K50	W49-S278 CarbonylContact C-O 3.51Å; W49-S278 VanDerWaalsContact CA-O 3.26Å; W49-S278 WeakPolarHBondContact CA-O 3.17Å; W49-S278 VanDerWaalsContact CB-O 3.24Å; W49-S278 WeakPolarHBondContact CB-O 3.21Å; K50-S278 PolarHBondContact N-O 3.43Å; K50-S278 PolarHBondContact O-N 2.87Å
279	G	97.7	Very high	97.3	Very high	13 Å²	13	28 Å²	28	13%	0.134	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.7	-171.3	-178.9	0	0	0	0	0	112.6	Y276 K326	Y276-G279 WeakPolarHBondContact CE2-O 3.39Å; Y276-G279 PolarHBondContact OH-N 3.37Å; Y276-G279 PolarHBondContact OH-O 3Å; G279-K326 WeakPolarHBondContact O-CB 3.07Å
280	V	98.3	Very high	97.3	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	107.2	-178.8	176.2	0	0	0	0	108.9	G48 K282 Q302 I306 Y308 K326 L328	G48-V280 PolarHBondContact O-N 2.8Å; V280-K282 PolarHBondContact O-N 3.41Å; V280-Q302 HydrophobicContact CG2-CG 3.59Å; V280-Q302 VanDerWaalsContact CG2-OE1 3.22Å; V280-I306 HydrophobicContact CB-CG2 4.02Å; V280-I306 HydrophobicContact CG1-CG2 3.73Å; V280-I306 HydrophobicContact CG2-CG2 4.35Å; V280-Y308 HydrophobicContact CG2-CD1 3.73Å; V280-Y308 HydrophobicContact CG2-CG 3.88Å; V280-K326 HydrophobicContact CG2-CB 4.03Å; V280-K326 HydrophobicContact CG2-CD 4.48Å; V280-L328 HydrophobicContact CG1-CB 4.06Å; V280-L328 HydrophobicContact CG1-CD1 4.47Å
281	Y	98.5	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	131.6	178.3	176.7	-103	0	0	0	110.4	W49 D272 F273 Y276 K326 I327 L328	W49-Y281 HydrophobicContact CD2-CD2 4.04Å; W49-Y281 AromaticContact CE2-CD2 3.71Å; W49-Y281 HydrophobicContact CE3-CD2 4.44Å; W49-Y281 HydrophobicContact CG-CD2 4.49Å; W49-Y281 HydrophobicContact CH2-CD2 4.29Å; W49-Y281 HydrophobicContact CH2-CE2 4.24Å; W49-Y281 AromaticContact CZ2-CD2 3.86Å; W49-Y281 HydrophobicContact CZ2-CD2 3.86Å; W49-Y281 AromaticContact CZ2-CE2 3.8Å; W49-Y281 HydrophobicContact CZ2-CE2 3.8Å; W49-Y281 AromaticContact NE1-CD2 3.94Å; D272-Y281 PolarHBondContact OD1-OH 2.65Å; F273-Y281 HydrophobicContact CB-CE1 4.46Å; F273-Y281 HydrophobicContact CB-CE2 3.87Å; F273-Y281 AromaticContact CD2-CD1 3.8Å; F273-Y281 HydrophobicContact CD2-CD1 3.8Å; F273-Y281 AromaticContact CD2-CD2 3.81Å; F273-Y281 HydrophobicContact CD2-CD2 3.81Å; F273-Y281 AromaticContact CD2-CE1 3.77Å; F273-Y281 HydrophobicContact CD2-CE1 3.77Å; F273-Y281 AromaticContact CD2-CE2 3.77Å; F273-Y281 HydrophobicContact CD2-CE2 3.77Å; F273-Y281 AromaticContact CD2-CG 3.82Å; F273-Y281 HydrophobicContact CD2-CG 3.82Å; F273-Y281 AromaticContact CD2-CZ 3.76Å; F273-Y281 HydrophobicContact CE2-CD1 4.2Å; F273-Y281 HydrophobicContact CE2-CG 4.25Å; F273-Y281 HydrophobicContact CG-CE1 4.49Å; F273-Y281 HydrophobicContact CG-CE2 4.33Å; Y276-Y281 HydrophobicContact CD2-CD2 4.35Å; Y276-Y281 HydrophobicContact CD2-CG 4.47Å; Y281-K326 VanDerWaalsContact CB-O 3.28Å; Y281-K326 WeakPolarHBondContact CB-O 3.4Å; Y281-K326 PolarHBondContact N-O 2.78Å; Y281-I327 HydrophobicContact CD1-CD1 3.93Å; Y281-I327 HydrophobicContact CD1-CG1 3.98Å; Y281-I327 HydrophobicContact CE1-CD1 4.39Å; Y281-L328 PolarHBondContact O-N 2.72Å
282	K	97.4	Very high	97.4	Very high	80 Å²	80	25.4 Å²	25.4	35%	0.348	14%	0.14	S	C	.	.			trans	-141.4	132.9	165.9	-168.8	-174.3	84.6	176.5	0	106	W49 V280 I284 L328 E333	W49-K282 PolarHBondContact NE1-O 2.82Å; V280-K282 PolarHBondContact O-N 3.41Å; K282-I284 PolarHBondContact O-N 2.99Å; K282-L328 HydrophobicContact CD-CD2 3.77Å; K282-L328 HydrophobicContact CG-CD2 3.96Å; K282-E333 WeakPolarHBondContact CG-OE2 3.35Å
283	H	97.5	Very high	97.4	Very high	53 Å²	53	25.3 Å²	25.3	25%	0.245	14%	0.14	C	C	.	.			trans	-60.1	132.4	178.7	175.9	60.1	0	0	0	110.7	Y270 D272 T285 G286 E333	Y270-H283 VanDerWaalsContact CB-CE1 3.48Å; Y270-H283 WeakPolarHBondContact CB-CE1 3.41Å; Y270-H283 VanDerWaalsContact CB-ND1 3.29Å; Y270-H283 WeakPolarHBondContact CB-ND1 3.42Å; Y270-H283 AromaticContact CD1-CE1 3.49Å; Y270-H283 VanDerWaalsContact CD1-CE1 3.49Å; Y270-H283 WeakPolarHBondContact CD1-CE1 3.25Å; Y270-H283 AromaticContact CD1-ND1 3.92Å; Y270-H283 AromaticContact CD1-NE2 3.69Å; Y270-H283 HydrophobicContact CD2-CB 4.3Å; Y270-H283 AromaticContact CD2-CG 3.98Å; Y270-H283 AromaticContact CD2-ND1 3.96Å; Y270-H283 AromaticContact CG-CE1 3.51Å; Y270-H283 AromaticContact CG-CG 3.89Å; Y270-H283 AromaticContact CG-ND1 3.46Å; D272-H283 IonicContact OD1-CE1 3.41Å; D272-H283 IonicContact OD1-ND1 3.27Å; D272-H283 PolarHBondContact OD1-ND1 3.27Å; D272-H283 IonicContact OD2-ND1 2.77Å; D272-H283 PolarHBondContact OD2-ND1 3.31Å; H283-T285 PolarHBondContact CE1-O 3.36Å; H283-T285 PolarHBondContact ND1-O 3.16Å; H283-G286 PolarHBondContact CE1-O 3.35Å; H283-G286 VanDerWaalsContact CE1-O 3.29Å; H283-E333 PolarHBondContact N-OE1 2.91Å
284	I	95.8	Very high	97.5	Very high	38 Å²	38	25.5 Å²	25.5	20%	0.195	14%	0.14	C	C	.	.			trans	-117.4	-43.5	178.9	-58.4	-61.2	0	0	0	110.6	F40 I41 D272 K282	F40-I284 HydrophobicContact CE1-CG2 3.91Å; I41-I284 HydrophobicContact CD1-CB 3.75Å; I41-I284 HydrophobicContact CD1-CG1 4.11Å; I41-I284 HydrophobicContact CD1-CG2 4.03Å; D272-I284 PolarHBondContact OD2-N 3.24Å; K282-I284 PolarHBondContact O-N 2.99Å
285	T	95.3	Very high	97.5	Very high	23 Å²	23	25.6 Å²	25.6	14%	0.141	14%	0.141	C	C	.	.	S	Bend	trans	-157.6	167.2	-173.8	-166.6	0	0	0	0	112.9	L37 F40 I41 D272 H283	L37-T285 HydrophobicContact CD1-CG2 3.32Å; F40-T285 HydrophobicContact CD1-CG2 4.13Å; F40-T285 HydrophobicContact CE1-CG2 3.93Å; I41-T285 HydrophobicContact CD1-CG2 4.27Å; D272-T285 HydrophobicContact CB-CG2 4.41Å; D272-T285 WeakPolarHBondContact CB-O 3.3Å; D272-T285 PolarHBondContact OD2-N 2.89Å; D272-T285 VanDerWaalsContact OD2-O 3.13Å; H283-T285 PolarHBondContact CE1-O 3.36Å; H283-T285 PolarHBondContact ND1-O 3.16Å
286	G	95.5	Very high	97.6	Very high	28 Å²	28	25.6 Å²	25.6	29%	0.289	14%	0.141	S	C	.	.	S	Bend	trans	91.8	165.5	177.9	0	0	0	0	0	113.3	E271 H283	E271-G286 WeakPolarHBondContact OE2-CA 3.35Å; H283-G286 PolarHBondContact CE1-O 3.35Å; H283-G286 VanDerWaalsContact CE1-O 3.29Å
287	S	95.7	Very high	97.6	Very high	54 Å²	54	25.4 Å²	25.4	38%	0.378	14%	0.14	S	C	.	.			trans	-85.2	161	-173.4	80	0	0	0	0	112.9	Y270 E271	Y270-S287 WeakPolarHBondContact CA-O 3.39Å; E271-S287 VanDerWaalsContact CD-N 3.25Å; E271-S287 WeakPolarHBondContact CG-O 3.31Å; E271-S287 PolarHBondContact N-O 3.06Å; E271-S287 PolarHBondContact OE1-OG 3.3Å; E271-S287 PolarHBondContact OE2-N 3.15Å
288	Y	96.8	Very high	97.7	Very high	107 Å²	107	22.4 Å²	22.4	42%	0.42	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132.6	172.8	172.1	-105.9	0	0	0	110.7	Y268 G290 G291	Y268-Y288 AromaticContact CD1-CE2 3.6Å; Y268-Y288 HydrophobicContact CD1-CE2 3.6Å; Y268-Y288 AromaticContact CG-CE2 3.98Å; Y268-Y288 HydrophobicContact CG-CE2 3.98Å; Y288-G290 VanDerWaalsContact CE2-C 3.5Å; Y288-G290 WeakPolarHBondContact CE2-O 3.38Å; Y288-G290 VanDerWaalsContact OH-CA 3.32Å; Y288-G290 WeakPolarHBondContact OH-CA 3.17Å; Y288-G291 PolarHBondContact OH-N 2.96Å; Y288-G291 VanDerWaalsContact OH-N 3.16Å
289	L	97.3	Very high	97.7	Very high	13 Å²	13	20.6 Å²	20.6	7%	0.068	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-40.2	179.8	-66.3	-176.4	0	0	0	113.2	I60 K64 V269 E271 L274	I60-L289 HydrophobicContact CG2-CD2 3.63Å; K64-L289 HydrophobicContact CD-CD2 4.43Å; K64-L289 VanDerWaalsContact CE-CD2 3.46Å; K64-L289 HydrophobicContact CG-CB 4.27Å; K64-L289 HydrophobicContact CG-CD2 4.1Å; V269-L289 HydrophobicContact CG1-CB 4.34Å; V269-L289 HydrophobicContact CG1-CD1 4.25Å; V269-L289 PolarHBondContact O-N 3.46Å; E271-L289 HydrophobicContact CG-CD1 4.22Å; E271-L289 HydrophobicContact CG-CD2 3.67Å; E271-L289 HydrophobicContact CG-CG 3.96Å; L274-L289 HydrophobicContact CD1-CD1 3.68Å; L274-L289 HydrophobicContact CD2-CD1 3.82Å; L274-L289 HydrophobicContact CG-CD1 3.82Å
290	G	97.8	Very high	97.8	Very high	9 Å²	9	20 Å²	20	9%	0.093	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.6	179.2	-174.7	0	0	0	0	0	113.5	V269 Y288	V269-G290 PolarHBondContact N-O 3.42Å; Y288-G290 VanDerWaalsContact CE2-C 3.5Å; Y288-G290 WeakPolarHBondContact CE2-O 3.38Å; Y288-G290 VanDerWaalsContact OH-CA 3.32Å; Y288-G290 WeakPolarHBondContact OH-CA 3.17Å
291	G	98.3	Very high	97.7	Very high	3 Å²	3	22.2 Å²	22.2	3%	0.031	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.8	172	0	0	0	0	0	111.7	M67 G68 V69 Y288	M67-G291 CarbonylContact C-O 3.45Å; M67-G291 VanDerWaalsContact CA-O 3.29Å; M67-G291 WeakPolarHBondContact CA-O 3.5Å; M67-G291 WeakPolarHBondContact CB-O 3.49Å; G68-G291 PolarHBondContact N-O 3.22Å; V69-G291 PolarHBondContact N-O 2.62Å; Y288-G291 PolarHBondContact OH-N 2.96Å; Y288-G291 VanDerWaalsContact OH-N 3.16Å
292	H	98.7	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.4	177	-168.7	43.7	0	0	0	111.2	M67 Q115 C121 G266 F267 V269 N313 W315	M67-H292 HydrophobicContact SD-CB 3.75Å; Q115-H292 PolarHBondContact OE1-CE1 3.35Å; C121-H292 WeakPolarHBondContact CB-CE1 3.3Å; C121-H292 WeakPolarHBondContact CB-ND1 3.49Å; C121-H292 PolarHBondContact SG-ND1 2.85Å; C121-H292 VanDerWaalsContact SG-ND1 3.45Å; G266-H292 CarbonylContact C-O 3.56Å; G266-H292 VanDerWaalsContact CA-O 3.27Å; G266-H292 WeakPolarHBondContact CA-O 3.4Å; F267-H292 HydrophobicContact CD1-CB 4.39Å; F267-H292 HydrophobicContact CE1-CB 3.89Å; F267-H292 AromaticContact CE1-CD2 3.73Å; F267-H292 HydrophobicContact CZ-CB 4.33Å; F267-H292 PolarHBondContact N-O 3.42Å; F267-H292 PolarHBondContact O-N 3.48Å; V269-H292 HydrophobicContact CG2-CB 3.39Å; H292-N313 PolarHBondContact NE2-OD1 2.66Å; H292-W315 AromaticContact CD2-CZ2 3.73Å; H292-W315 AromaticContact CE1-CE2 3.83Å; H292-W315 AromaticContact CE1-CZ2 3.91Å; H292-W315 AromaticContact CE1-NE1 3.4Å; H292-W315 PolarHBondContact CE1-NE1 2.8Å; H292-W315 AromaticContact NE2-CE2 3.62Å; H292-W315 AromaticContact NE2-CZ2 3.61Å; H292-W315 AromaticContact NE2-NE1 3.55Å
293	A	98.8	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.8	178.7	0	0	0	0	0	109.7	V69 C121 P167 G265	V69-A293 HydrophobicContact CG2-CB 3.39Å; C121-A293 HydrophobicContact CB-CB 4.3Å; C121-A293 WeakPolarHBondContact O-CB 3.3Å; P167-A293 HydrophobicContact CG-CB 4.37Å; G265-A293 WeakPolarHBondContact O-CA 3.5Å
294	I	98.8	Very high	96.2	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	172.7	-175.9	55.1	71.3	0	0	0	109.4	E264 G265 F267 I296 C311 A312 F325 I336	E264-I294 WeakPolarHBondContact CA-O 3.47Å; G265-I294 PolarHBondContact N-O 3.21Å; G265-I294 PolarHBondContact O-N 3.23Å; F267-I294 HydrophobicContact CD1-CG1 4.07Å; F267-I294 HydrophobicContact CE1-CG1 4.05Å; F267-I294 HydrophobicContact CE1-CG2 3.84Å; I294-I296 HydrophobicContact CD1-CD1 4.35Å; I294-I296 HydrophobicContact CD1-CG1 3.45Å; I294-I296 VanDerWaalsContact CD1-CG1 3.45Å; I294-C311 HydrophobicContact CD1-CB 4Å; I294-C311 HydrophobicContact CG1-CB 4.41Å; I294-A312 WeakPolarHBondContact CB-O 3.43Å; I294-F325 HydrophobicContact CB-CE1 4.33Å; I294-F325 HydrophobicContact CG1-CE1 4.34Å; I294-F325 HydrophobicContact CG1-CZ 4.08Å; I294-F325 HydrophobicContact CG2-CE1 3.96Å; I294-F325 HydrophobicContact CG2-CZ 4.28Å; I294-I336 HydrophobicContact CD1-CD1 4.34Å
295	R	98.6	Very high	96.1	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.011	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.4	172.8	171.8	172.1	46.7	157.3	-1.1	109.7	S108 T111 E128 D132 P262 V263 I297 C311 A312	S108-R295 PolarHBondContact O-NH1 2.89Å; S108-R295 VanDerWaalsContact O-NH1 3.08Å; T111-R295 PolarHBondContact O-NH2 3.42Å; E128-R295 IonicContact OE2-CZ 2.82Å; E128-R295 VanDerWaalsContact OE2-CZ 3.24Å; E128-R295 IonicContact OE2-NE 2.6Å; E128-R295 PolarHBondContact OE2-NE 3.13Å; E128-R295 IonicContact OE2-NH2 3.91Å; E128-R295 PolarHBondContact OE2-NH2 2.77Å; D132-R295 IonicContact OD1-NH1 3.57Å; D132-R295 PolarHBondContact OD1-NH1 3.32Å; D132-R295 VanDerWaalsContact OD1-NH1 3.16Å; D132-R295 VanDerWaalsContact OD2-CD 3.27Å; D132-R295 WeakPolarHBondContact OD2-CD 3.46Å; D132-R295 IonicContact OD2-CZ 2.84Å; D132-R295 IonicContact OD2-NE 3.48Å; D132-R295 IonicContact OD2-NH1 2.84Å; D132-R295 PolarHBondContact OD2-NH1 3.34Å; P262-R295 HydrophobicContact CB-CG 3.65Å; V263-R295 CarbonylContact O-C 3.5Å; V263-R295 WeakPolarHBondContact O-CA 3.23Å; R295-I297 HydrophobicContact CG-CG2 3.73Å; R295-C311 CarbonylContact O-C 3.58Å; R295-C311 VanDerWaalsContact O-CA 3.31Å; R295-C311 WeakPolarHBondContact O-CA 3.39Å; R295-A312 HydrophobicContact CB-CB 4.46Å; R295-A312 PolarHBondContact N-O 2.88Å; R295-A312 VanDerWaalsContact N-O 3.17Å; R295-A312 PolarHBondContact O-N 2.04Å
296	I	98.9	Very high	96.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.1	175	-47.1	176.5	0	0	0	108.1	I257 P262 V263 I294 W309 I336 V340	I257-I296 HydrophobicContact CD1-CB 4.12Å; I257-I296 HydrophobicContact CD1-CG2 3.65Å; P262-I296 VanDerWaalsContact CA-O 3.28Å; P262-I296 WeakPolarHBondContact CA-O 3.21Å; V263-I296 HydrophobicContact CG2-CB 3.75Å; V263-I296 HydrophobicContact CG2-CD1 4.16Å; V263-I296 HydrophobicContact CG2-CG1 4.2Å; V263-I296 PolarHBondContact N-O 3.46Å; V263-I296 VanDerWaalsContact N-O 3.12Å; V263-I296 PolarHBondContact O-N 2.64Å; I294-I296 HydrophobicContact CD1-CD1 4.35Å; I294-I296 HydrophobicContact CD1-CG1 3.45Å; I294-I296 VanDerWaalsContact CD1-CG1 3.45Å; I296-W309 HydrophobicContact CG2-CB 4.11Å; I296-W309 HydrophobicContact CG2-CD2 4.34Å; I296-W309 HydrophobicContact CG2-CE3 3.96Å; I296-W309 HydrophobicContact CG2-CG 4.45Å; I296-I336 HydrophobicContact CD1-CD1 4.27Å; I296-I336 HydrophobicContact CD1-CG1 4.22Å; I296-V340 HydrophobicContact CD1-CG2 4.08Å
297	I	98.8	Very high	96.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-1.4	-172.7	65.6	157.8	0	0	0	113.4	S99 R100 P262 R295 L310 A312 Y324	S99-I297 WeakPolarHBondContact CB-O 3.38Å; S99-I297 PolarHBondContact N-O 2.98Å; S99-I297 PolarHBondContact OG-O 2.83Å; R100-I297 HydrophobicContact CG-CD1 4.15Å; P262-I297 HydrophobicContact CB-CG2 3.99Å; P262-I297 HydrophobicContact CG-CB 4.23Å; P262-I297 HydrophobicContact CG-CG2 3.89Å; R295-I297 HydrophobicContact CG-CG2 3.73Å; I297-L310 HydrophobicContact CD1-CD2 3.73Å; I297-L310 HydrophobicContact CD1-CG 3.97Å; I297-L310 HydrophobicContact CG1-CB 4.3Å; I297-L310 HydrophobicContact CG1-CD2 3.86Å; I297-L310 HydrophobicContact CG1-CG 3.73Å; I297-L310 WeakPolarHBondContact CG1-O 3.4Å; I297-L310 PolarHBondContact N-O 3.46Å; I297-A312 HydrophobicContact CG2-CB 4.41Å; I297-Y324 HydrophobicContact CD1-CD1 4.06Å; I297-Y324 HydrophobicContact CD1-CE1 3.67Å
298	G	98.8	Very high	96.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-163.5	-178.9	0	0	0	0	0	113.6	F97 L310	F97-G298 CarbonylContact O-C 3.55Å; F97-G298 VanDerWaalsContact O-CA 3.3Å; F97-G298 WeakPolarHBondContact O-CA 3.49Å; G298-L310 PolarHBondContact N-O 2.81Å; G298-L310 PolarHBondContact O-N 3.43Å
299	W	98.9	Very high	96.4	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	168.5	-177.1	63	88.2	0	0	0	111.5	P94 F97 M254 I257 L258 Y308 W309	P94-W299 HydrophobicContact CG-CZ2 4.12Å; P94-W299 PolarHBondContact O-NE1 3.15Å; F97-W299 HydrophobicContact CB-CD2 3.68Å; F97-W299 HydrophobicContact CB-CE3 3.83Å; F97-W299 HydrophobicContact CB-CG 4.43Å; F97-W299 HydrophobicContact CB-CH2 3.46Å; F97-W299 VanDerWaalsContact CB-CH2 3.46Å; F97-W299 HydrophobicContact CB-CZ2 3.33Å; F97-W299 HydrophobicContact CB-CZ3 3.7Å; F97-W299 HydrophobicContact CD1-CE3 4.11Å; F97-W299 AromaticContact CD1-CH2 3.69Å; F97-W299 HydrophobicContact CD1-CH2 3.69Å; F97-W299 HydrophobicContact CD1-CZ2 4.45Å; F97-W299 AromaticContact CD1-CZ3 3.49Å; F97-W299 HydrophobicContact CD1-CZ3 3.49Å; F97-W299 VanDerWaalsContact CD1-CZ3 3.49Å; F97-W299 HydrophobicContact CD2-CH2 4.16Å; F97-W299 HydrophobicContact CD2-CZ2 4.45Å; F97-W299 HydrophobicContact CE1-CH2 4.49Å; F97-W299 HydrophobicContact CE1-CZ3 4.33Å; F97-W299 HydrophobicContact CG-CE3 4.31Å; F97-W299 AromaticContact CG-CH2 3.49Å; F97-W299 HydrophobicContact CG-CH2 3.49Å; F97-W299 VanDerWaalsContact CG-CH2 3.49Å; F97-W299 AromaticContact CG-CZ2 3.86Å; F97-W299 HydrophobicContact CG-CZ2 3.86Å; F97-W299 AromaticContact CG-CZ3 3.74Å; F97-W299 HydrophobicContact CG-CZ3 3.74Å; F97-W299 PolarHBondContact N-O 2.92Å; F97-W299 PolarHBondContact O-N 2.85Å; F97-W299 VanDerWaalsContact O-O 3.04Å; M254-W299 HydrophobicContact CB-CD2 4.38Å; M254-W299 HydrophobicContact CB-CE3 4.26Å; M254-W299 HydrophobicContact CB-CH2 4.03Å; M254-W299 HydrophobicContact CB-CZ2 4.1Å; M254-W299 HydrophobicContact CB-CZ3 4.12Å; M254-W299 HydrophobicContact CE-CD2 4.09Å; M254-W299 VanDerWaalsContact CE-CE2 3.44Å; M254-W299 HydrophobicContact CE-CG 4.19Å; M254-W299 HydrophobicContact CE-CZ2 3.91Å; M254-W299 HydrophobicContact CG-CD2 3.83Å; M254-W299 HydrophobicContact CG-CE3 4.01Å; M254-W299 HydrophobicContact CG-CG 4.28Å; M254-W299 HydrophobicContact CG-CZ2 4.3Å; M254-W299 HydrophobicContact CG-CZ3 4.37Å; M254-W299 VanDerWaalsContact O-CH2 3.29Å; M254-W299 WeakPolarHBondContact O-CH2 3.22Å; M254-W299 WeakPolarHBondContact O-CZ3 3.48Å; I257-W299 HydrophobicContact CB-CZ3 3.87Å; I257-W299 HydrophobicContact CG2-CE3 4.43Å; I257-W299 HydrophobicContact CG2-CZ3 3.79Å; L258-W299 HydrophobicContact CB-CH2 4.04Å; W299-Y308 CarbonylContact C-O 3.49Å; W299-Y308 WeakPolarHBondContact CA-O 3.45Å; W299-Y308 WeakPolarHBondContact CB-O 3.43Å; W299-W309 HydrophobicContact CB-CE3 3.97Å; W299-W309 HydrophobicContact CB-CZ3 4.12Å; W299-W309 HydrophobicContact CE3-CZ3 4.27Å
300	G	98.7	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	-164.8	170.9	0	0	0	0	0	112.4	K95 P307 Y308 R329	K95-G300 WeakPolarHBondContact O-CA 3.29Å; G300-P307 WeakPolarHBondContact O-CA 3.12Å; G300-Y308 VanDerWaalsContact C-CE1 3.43Å; G300-Y308 VanDerWaalsContact CA-CZ 3.44Å; G300-Y308 PolarHBondContact N-O 3.37Å; G300-Y308 PolarHBondContact O-N 2.92Å; G300-R329 PolarHBondContact O-NH2 3.48Å
301	I	97.7	Very high	96.6	Very high	49 Å²	49	32.1 Å²	32.1	25%	0.251	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.3	174.1	-51.2	175.5	0	0	0	107.5	K95 F96 I306	K95-I301 HydrophobicContact CB-CD1 4.34Å; K95-I301 HydrophobicContact CD-CD1 4.49Å; K95-I301 HydrophobicContact CG-CD1 4.46Å; F96-I301 WeakPolarHBondContact CE1-O 3.3Å; F96-I301 HydrophobicContact CZ-CB 4.38Å; F96-I301 WeakPolarHBondContact CZ-O 3.09Å; I301-I306 CarbonylContact C-O 3.53Å; I301-I306 WeakPolarHBondContact CA-O 3.45Å
302	Q	92.8	Very high	96.6	Very high	44 Å²	44	32 Å²	32	21%	0.206	16%	0.156	C	C	.	.			trans	-72	166.5	173.3	-79.4	-165.4	-44.6	0	0	112.1	V280 N304 H305 I306 Y308	V280-Q302 HydrophobicContact CG2-CG 3.59Å; V280-Q302 VanDerWaalsContact CG2-OE1 3.22Å; Q302-N304 WeakPolarHBondContact CB-OD1 3.43Å; Q302-N304 PolarHBondContact O-N 2.93Å; Q302-N304 VanDerWaalsContact O-N 3.09Å; Q302-H305 WeakPolarHBondContact O-CA 3.09Å; Q302-H305 PolarHBondContact O-N 3.49Å; Q302-I306 PolarHBondContact N-O 3.47Å; Q302-Y308 HydrophobicContact CG-CD1 3.99Å; Q302-Y308 HydrophobicContact CG-CE1 4.06Å
303	Q	83.9	Confident	96.6	Very high	202 Å²	202	32 Å²	32	94%	0.944	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.4	-179.3	-72	178.1	-16.5	0	0	113.8	H305	Q303-H305 PolarHBondContact O-N 3.29Å
304	N	85.1	Confident	96.5	Very high	84 Å²	84	32.1 Å²	32.1	45%	0.449	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	21.4	175.3	60.3	-5.8	0	0	0	113.5	Q302 I306	Q302-N304 WeakPolarHBondContact CB-OD1 3.43Å; Q302-N304 PolarHBondContact O-N 2.93Å; Q302-N304 VanDerWaalsContact O-N 3.09Å; N304-I306 WeakPolarHBondContact ND2-CD1 3.25Å; N304-I306 PolarHBondContact O-N 3.35Å; N304-I306 WeakPolarHBondContact OD1-CB 3.42Å; N304-I306 WeakPolarHBondContact OD1-CG1 3Å; N304-I306 PolarHBondContact OD1-N 3.45Å
305	H	92.2	Very high	96.4	Very high	160 Å²	160	32 Å²	32	74%	0.741	16%	0.156	S	C	*	.	S	Bend	trans	62.7	16.5	-178.5	-56.3	94.3	0	0	0	115.4	Q302 Q303 P307	Q302-H305 WeakPolarHBondContact O-CA 3.09Å; Q302-H305 PolarHBondContact O-N 3.49Å; Q303-H305 PolarHBondContact O-N 3.29Å; H305-P307 VanDerWaalsContact O-CD 3.25Å; H305-P307 WeakPolarHBondContact O-CD 3.46Å
306	I	95.3	Very high	96.1	Very high	46 Å²	46	31.9 Å²	31.9	24%	0.236	16%	0.156	C	C	.	.			trans	-81.6	115.1	177.8	-60.7	-177.3	0	0	0	109.8	V280 I301 Q302 N304 L328	V280-I306 HydrophobicContact CB-CG2 4.02Å; V280-I306 HydrophobicContact CG1-CG2 3.73Å; V280-I306 HydrophobicContact CG2-CG2 4.35Å; I301-I306 CarbonylContact C-O 3.53Å; I301-I306 WeakPolarHBondContact CA-O 3.45Å; Q302-I306 PolarHBondContact N-O 3.47Å; N304-I306 WeakPolarHBondContact ND2-CD1 3.25Å; N304-I306 PolarHBondContact O-N 3.35Å; N304-I306 WeakPolarHBondContact OD1-CB 3.42Å; N304-I306 WeakPolarHBondContact OD1-CG1 3Å; N304-I306 PolarHBondContact OD1-N 3.45Å; I306-L328 HydrophobicContact CG2-CD1 3.58Å
307	P	98.1	Very high	95.8	Very high	37 Å²	37	35.4 Å²	35.4	24%	0.24	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	147.1	175.2	30.3	-34.9	0	0	0	111.4	G300 H305 R329	G300-P307 WeakPolarHBondContact O-CA 3.12Å; H305-P307 VanDerWaalsContact O-CD 3.25Å; H305-P307 WeakPolarHBondContact O-CD 3.46Å; P307-R329 HydrophobicContact CB-CB 4.27Å; P307-R329 VanDerWaalsContact CB-CZ 3.43Å; P307-R329 WeakPolarHBondContact CG-O 3.28Å; P307-R329 PolarHBondContact O-N 3.23Å; P307-R329 VanDerWaalsContact O-N 3.12Å
308	Y	98.7	Very high	95.5	Very high	26 Å²	26	39.6 Å²	39.6	10%	0.102	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154.4	178.3	65.5	-98.9	0	0	0	114.1	V280 W299 G300 Q302 L310 K326 I327 R329	V280-Y308 HydrophobicContact CG2-CD1 3.73Å; V280-Y308 HydrophobicContact CG2-CG 3.88Å; W299-Y308 CarbonylContact C-O 3.49Å; W299-Y308 WeakPolarHBondContact CA-O 3.45Å; W299-Y308 WeakPolarHBondContact CB-O 3.43Å; G300-Y308 VanDerWaalsContact C-CE1 3.43Å; G300-Y308 VanDerWaalsContact CA-CZ 3.44Å; G300-Y308 PolarHBondContact N-O 3.37Å; G300-Y308 PolarHBondContact O-N 2.92Å; Q302-Y308 HydrophobicContact CG-CD1 3.99Å; Q302-Y308 HydrophobicContact CG-CE1 4.06Å; Y308-L310 HydrophobicContact CD2-CB 4.47Å; Y308-L310 HydrophobicContact CE2-CB 4.21Å; Y308-K326 HydrophobicContact CD1-CD 4.16Å; Y308-K326 HydrophobicContact CD2-CB 3.89Å; Y308-K326 HydrophobicContact CD2-CD 3.81Å; Y308-K326 HydrophobicContact CD2-CG 3.67Å; Y308-K326 HydrophobicContact CE1-CD 4.07Å; Y308-K326 HydrophobicContact CE2-CD 3.75Å; Y308-K326 HydrophobicContact CE2-CG 3.91Å; Y308-K326 HydrophobicContact CG-CB 3.99Å; Y308-K326 HydrophobicContact CG-CD 4.04Å; Y308-K326 HydrophobicContact CG-CG 4.14Å; Y308-I327 CarbonylContact C-O 3.58Å; Y308-I327 WeakPolarHBondContact CA-O 3.24Å; Y308-I327 WeakPolarHBondContact CB-O 2.98Å; Y308-R329 VanDerWaalsContact C-CB 3.5Å; Y308-R329 PolarHBondContact O-NE 2.7Å; Y308-R329 VanDerWaalsContact O-NE 3.14Å
309	W	98.9	Very high	95.3	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	138.5	157.6	-63.4	116.1	0	0	0	109.3	E250 I253 M254 I257 I296 W299 K326 I327 R329 E337	E250-W309 HydrophobicContact CB-CZ2 4.44Å; E250-W309 HydrophobicContact CG-CH2 3.96Å; E250-W309 HydrophobicContact CG-CZ2 3.84Å; I253-W309 HydrophobicContact CB-CH2 3.61Å; I253-W309 HydrophobicContact CB-CZ2 4.03Å; I253-W309 HydrophobicContact CB-CZ3 4.32Å; I253-W309 HydrophobicContact CD1-CZ2 4.08Å; I253-W309 HydrophobicContact CG2-CE3 4.44Å; I253-W309 HydrophobicContact CG2-CH2 3.52Å; I253-W309 HydrophobicContact CG2-CZ2 4Å; I253-W309 HydrophobicContact CG2-CZ3 3.78Å; M254-W309 HydrophobicContact CG-CH2 3.71Å; M254-W309 HydrophobicContact CG-CZ3 3.83Å; I257-W309 HydrophobicContact CD1-CZ3 4.28Å; I296-W309 HydrophobicContact CG2-CB 4.11Å; I296-W309 HydrophobicContact CG2-CD2 4.34Å; I296-W309 HydrophobicContact CG2-CE3 3.96Å; I296-W309 HydrophobicContact CG2-CG 4.45Å; W299-W309 HydrophobicContact CB-CE3 3.97Å; W299-W309 HydrophobicContact CB-CZ3 4.12Å; W299-W309 HydrophobicContact CE3-CZ3 4.27Å; W309-K326 VanDerWaalsContact O-CA 3.24Å; W309-K326 WeakPolarHBondContact O-CA 3.45Å; W309-I327 HydrophobicContact CB-CG2 3.91Å; W309-I327 PolarHBondContact N-O 3.38Å; W309-I327 PolarHBondContact O-N 3.29Å; W309-I327 VanDerWaalsContact O-N 3.15Å; W309-R329 HydrophobicContact CD2-CB 4.18Å; W309-R329 HydrophobicContact CD2-CG 3.92Å; W309-R329 VanDerWaalsContact CE2-CD 3.43Å; W309-R329 HydrophobicContact CG-CB 4.02Å; W309-R329 HydrophobicContact CG-CG 4.29Å; W309-R329 HydrophobicContact CH2-CG 4.29Å; W309-R329 VanDerWaalsContact CZ2-CD 3.49Å; W309-R329 HydrophobicContact CZ2-CG 3.62Å; W309-E337 HydrophobicContact CZ2-CG 4.32Å; W309-E337 PolarHBondContact NE1-OE1 3.48Å
310	L	98.9	Very high	95.2	Very high	13 Å²	13	39.9 Å²	39.9	7%	0.068	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.5	171.7	178.5	63.8	0	0	0	108.5	D98 I297 G298 Y308 K326	D98-L310 HydrophobicContact CB-CD2 4.45Å; I297-L310 HydrophobicContact CD1-CD2 3.73Å; I297-L310 HydrophobicContact CD1-CG 3.97Å; I297-L310 HydrophobicContact CG1-CB 4.3Å; I297-L310 HydrophobicContact CG1-CD2 3.86Å; I297-L310 HydrophobicContact CG1-CG 3.73Å; I297-L310 WeakPolarHBondContact CG1-O 3.4Å; I297-L310 PolarHBondContact N-O 3.46Å; G298-L310 PolarHBondContact N-O 2.81Å; G298-L310 PolarHBondContact O-N 3.43Å; Y308-L310 HydrophobicContact CD2-CB 4.47Å; Y308-L310 HydrophobicContact CE2-CB 4.21Å; L310-K326 HydrophobicContact CD1-CG 4.09Å
311	C	98.9	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.5	-172.2	-59.4	0	0	0	0	110.7	I294 R295 Y324 F325	I294-C311 HydrophobicContact CD1-CB 4Å; I294-C311 HydrophobicContact CG1-CB 4.41Å; R295-C311 CarbonylContact O-C 3.58Å; R295-C311 VanDerWaalsContact O-CA 3.31Å; R295-C311 WeakPolarHBondContact O-CA 3.39Å; C311-Y324 CarbonylContact O-C 3.54Å; C311-Y324 VanDerWaalsContact O-CA 3.28Å; C311-Y324 WeakPolarHBondContact O-CA 3.02Å; C311-F325 HydrophobicContact CB-CD1 3.72Å; C311-F325 HydrophobicContact CB-CD2 4.37Å; C311-F325 HydrophobicContact CB-CE1 3.26Å; C311-F325 HydrophobicContact CB-CE2 3.99Å; C311-F325 HydrophobicContact CB-CG 4.25Å; C311-F325 HydrophobicContact CB-CZ 3.43Å; C311-F325 VanDerWaalsContact CB-CZ 3.43Å; C311-F325 PolarHBondContact N-O 3.05Å; C311-F325 PolarHBondContact O-N 2.94Å
312	A	98.7	Very high	95.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.5	166.7	0	0	0	0	0	108.7	I112 I294 R295 I297 Y324	I112-A312 HydrophobicContact CD1-CB 3.77Å; I294-A312 WeakPolarHBondContact CB-O 3.43Å; R295-A312 HydrophobicContact CB-CB 4.46Å; R295-A312 PolarHBondContact N-O 2.88Å; R295-A312 VanDerWaalsContact N-O 3.17Å; R295-A312 PolarHBondContact O-N 2.04Å; I297-A312 HydrophobicContact CG2-CB 4.41Å; A312-Y324 HydrophobicContact CB-CD1 4Å; A312-Y324 HydrophobicContact CB-CE1 3.88Å
313	N	98.2	Very high	95.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.			trans	-98.4	166.2	176.2	-160.7	1.1	0	0	0	110.6	H292 W315 W319 G323 F325	H292-N313 PolarHBondContact NE2-OD1 2.66Å; N313-W315 VanDerWaalsContact ND2-CD2 3.27Å; N313-W319 HydrophobicContact CB-CE3 3.97Å; N313-W319 HydrophobicContact CB-CZ3 3.75Å; N313-W319 VanDerWaalsContact ND2-CE3 3.32Å; N313-W319 WeakPolarHBondContact ND2-CH2 3.47Å; N313-W319 WeakPolarHBondContact ND2-CZ3 3.48Å; N313-G323 WeakPolarHBondContact CB-O 3.46Å; N313-G323 PolarHBondContact N-O 2.04Å; N313-F325 HydrophobicContact CB-CD1 4.3Å; N313-F325 HydrophobicContact CB-CE1 4.36Å
314	S	97.5	Very high	96	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.021	18%	0.182	C	C	.	.	S	Bend	trans	-109.9	32.3	178.2	52.4	0	0	0	0	112.5	R113 D114 Q115	R113-S314 CarbonylContact O-C 3.3Å; R113-S314 VanDerWaalsContact O-C 3.29Å; R113-S314 VanDerWaalsContact O-CA 3.29Å; R113-S314 WeakPolarHBondContact O-CA 3.3Å; D114-S314 WeakPolarHBondContact CA-O 3.42Å; Q115-S314 PolarHBondContact N-O 2.03Å; Q115-S314 PolarHBondContact OE1-OG 2.78Å
315	W	96	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-114	38.7	-179.9	-62.5	-10.8	0	0	0	112	R56 F57 M67 F273 L274 H292 N313 W319	R56-W315 HydrophobicContact CG-CB 4.16Å; R56-W315 HydrophobicContact CG-CG 4.48Å; F57-W315 HydrophobicContact CE2-CD2 4.14Å; F57-W315 AromaticContact CE2-CE3 3.62Å; F57-W315 HydrophobicContact CE2-CE3 3.62Å; F57-W315 HydrophobicContact CE2-CH2 4.1Å; F57-W315 AromaticContact CE2-CZ3 3.61Å; F57-W315 HydrophobicContact CE2-CZ3 3.61Å; F57-W315 AromaticContact CZ-CD2 3.73Å; F57-W315 HydrophobicContact CZ-CD2 3.73Å; F57-W315 AromaticContact CZ-CE2 3.87Å; F57-W315 AromaticContact CZ-CE3 3.72Å; F57-W315 HydrophobicContact CZ-CE3 3.72Å; F57-W315 HydrophobicContact CZ-CG 4.41Å; F57-W315 HydrophobicContact CZ-CH2 4.09Å; F57-W315 HydrophobicContact CZ-CZ2 4.08Å; F57-W315 AromaticContact CZ-CZ3 3.91Å; F57-W315 HydrophobicContact CZ-CZ3 3.91Å; M67-W315 HydrophobicContact CE-CH2 3.54Å; M67-W315 HydrophobicContact CE-CZ2 3.31Å; M67-W315 HydrophobicContact SD-CH2 4.5Å; M67-W315 HydrophobicContact SD-CZ2 4.03Å; F273-W315 HydrophobicContact CD1-CH2 4.02Å; F273-W315 HydrophobicContact CD1-CZ3 4.13Å; F273-W315 AromaticContact CE1-CH2 3.8Å; F273-W315 HydrophobicContact CE1-CH2 3.8Å; F273-W315 AromaticContact CE1-CZ3 3.83Å; F273-W315 HydrophobicContact CE1-CZ3 3.83Å; L274-W315 HydrophobicContact CD2-CH2 4.42Å; H292-W315 AromaticContact CD2-CZ2 3.73Å; H292-W315 AromaticContact CE1-CE2 3.83Å; H292-W315 AromaticContact CE1-CZ2 3.91Å; H292-W315 AromaticContact CE1-NE1 3.4Å; H292-W315 PolarHBondContact CE1-NE1 2.8Å; H292-W315 AromaticContact NE2-CE2 3.62Å; H292-W315 AromaticContact NE2-CZ2 3.61Å; H292-W315 AromaticContact NE2-NE1 3.55Å; N313-W315 VanDerWaalsContact ND2-CD2 3.27Å; W315-W319 HydrophobicContact CB-CB 4.17Å; W315-W319 HydrophobicContact CB-CG 4.25Å; W315-W319 AromaticContact CE3-CD1 3.8Å; W315-W319 AromaticContact CE3-CD2 3.72Å; W315-W319 HydrophobicContact CE3-CD2 3.72Å; W315-W319 AromaticContact CE3-CE2 3.48Å; W315-W319 VanDerWaalsContact CE3-CE2 3.48Å; W315-W319 HydrophobicContact CE3-CE3 4.41Å; W315-W319 AromaticContact CE3-CG 3.93Å; W315-W319 HydrophobicContact CE3-CG 3.93Å; W315-W319 AromaticContact CE3-CZ2 3.99Å; W315-W319 HydrophobicContact CE3-CZ2 3.99Å; W315-W319 AromaticContact CE3-NE1 3.53Å; W315-W319 HydrophobicContact CZ3-CD2 4.32Å; W315-W319 AromaticContact CZ3-CE2 3.62Å; W315-W319 AromaticContact CZ3-CZ2 3.74Å; W315-W319 HydrophobicContact CZ3-CZ2 3.74Å; W315-W319 AromaticContact CZ3-NE1 3.68Å; W315-W319 WeakPolarHBondContact O-CB 3.08Å
316	N	93.4	Very high	96.9	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.011	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	174.2	-176.4	74.1	54.6	0	0	0	115.4	R56 R113 D114 C199 N200 Y208 Q318 G323	R56-N316 PolarHBondContact NH1-ND2 3.44Å; R113-N316 PolarHBondContact O-N 3.25Å; D114-N316 HydrophobicContact CB-CB 4.21Å; D114-N316 PolarHBondContact OD2-ND2 2.87Å; C199-N316 PolarHBondContact O-ND2 2.89Å; N200-N316 PolarHBondContact OD1-ND2 3.36Å; Y208-N316 HydrophobicContact CD2-CB 4.24Å; Y208-N316 HydrophobicContact CE2-CB 3.54Å; Y208-N316 WeakPolarHBondContact CE2-OD1 3.24Å; N316-Q318 WeakPolarHBondContact OD1-CB 3.41Å; N316-Q318 PolarHBondContact OD1-N 2.9Å; N316-G323 WeakPolarHBondContact O-CA 3.16Å
317	N	93.3	Very high	97.1	Very high	74 Å²	74	25 Å²	25	40%	0.396	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-7.1	-174.1	69.4	25.6	0	0	0	114.3	Y208 Q322	Y208-N317 PolarHBondContact OH-ND2 3.08Å; Y208-N317 PolarHBondContact OH-OD1 2.67Å; N317-Q322 CarbonylContact O-C 3.54Å; N317-Q322 VanDerWaalsContact O-CA 3.22Å; N317-Q322 WeakPolarHBondContact O-CA 3.04Å
318	Q	91.9	Very high	97.1	Very high	88 Å²	88	24.6 Å²	24.6	41%	0.411	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-23.2	176.9	-65.5	-60.1	-58.5	0	0	111.7	Y208 N316	Y208-Q318 HydrophobicContact CD2-CB 4.43Å; Y208-Q318 HydrophobicContact CD2-CG 3.79Å; Y208-Q318 HydrophobicContact CE2-CB 4.24Å; Y208-Q318 HydrophobicContact CE2-CG 3.55Å; N316-Q318 WeakPolarHBondContact OD1-CB 3.41Å; N316-Q318 PolarHBondContact OD1-N 2.9Å
319	W	94.9	Very high	97.1	Very high	5 Å²	5	24 Å²	24	2%	0.019	12%	0.117	C	C	.	.	S	Bend	trans	-76.7	146.1	174.5	-174.9	86	0	0	0	111.7	F273 L274 Y276 N313 W315 G323 F325	F273-W319 HydrophobicContact CD1-CZ2 4.16Å; F273-W319 AromaticContact CE1-CH2 3.7Å; F273-W319 HydrophobicContact CE1-CH2 3.7Å; F273-W319 AromaticContact CE1-CZ2 3.59Å; F273-W319 HydrophobicContact CE1-CZ2 3.59Å; F273-W319 AromaticContact CE2-CH2 3.98Å; F273-W319 HydrophobicContact CE2-CH2 3.98Å; F273-W319 HydrophobicContact CE2-CZ2 4.28Å; F273-W319 AromaticContact CZ-CH2 3.33Å; F273-W319 HydrophobicContact CZ-CH2 3.33Å; F273-W319 AromaticContact CZ-CZ2 3.68Å; F273-W319 HydrophobicContact CZ-CZ2 3.68Å; F273-W319 HydrophobicContact CZ-CZ3 4.47Å; L274-W319 PolarHBondContact O-NE1 3.06Å; Y276-W319 AromaticContact CD1-CH2 3.93Å; Y276-W319 HydrophobicContact CD1-CH2 3.93Å; Y276-W319 HydrophobicContact CD1-CZ2 4.32Å; Y276-W319 HydrophobicContact CD1-CZ3 4.38Å; Y276-W319 HydrophobicContact CG-CH2 4.37Å; Y276-W319 HydrophobicContact CG-CZ2 4.5Å; N313-W319 HydrophobicContact CB-CE3 3.97Å; N313-W319 HydrophobicContact CB-CZ3 3.75Å; N313-W319 VanDerWaalsContact ND2-CE3 3.32Å; N313-W319 WeakPolarHBondContact ND2-CH2 3.47Å; N313-W319 WeakPolarHBondContact ND2-CZ3 3.48Å; W315-W319 HydrophobicContact CB-CB 4.17Å; W315-W319 HydrophobicContact CB-CG 4.25Å; W315-W319 AromaticContact CE3-CD1 3.8Å; W315-W319 AromaticContact CE3-CD2 3.72Å; W315-W319 HydrophobicContact CE3-CD2 3.72Å; W315-W319 AromaticContact CE3-CE2 3.48Å; W315-W319 VanDerWaalsContact CE3-CE2 3.48Å; W315-W319 HydrophobicContact CE3-CE3 4.41Å; W315-W319 AromaticContact CE3-CG 3.93Å; W315-W319 HydrophobicContact CE3-CG 3.93Å; W315-W319 AromaticContact CE3-CZ2 3.99Å; W315-W319 HydrophobicContact CE3-CZ2 3.99Å; W315-W319 AromaticContact CE3-NE1 3.53Å; W315-W319 HydrophobicContact CZ3-CD2 4.32Å; W315-W319 AromaticContact CZ3-CE2 3.62Å; W315-W319 AromaticContact CZ3-CZ2 3.74Å; W315-W319 HydrophobicContact CZ3-CZ2 3.74Å; W315-W319 AromaticContact CZ3-NE1 3.68Å; W315-W319 WeakPolarHBondContact O-CB 3.08Å; W319-G323 WeakPolarHBondContact O-CA 3.22Å; W319-G323 PolarHBondContact O-N 2.8Å; W319-F325 HydrophobicContact CH2-CB 4.01Å; W319-F325 HydrophobicContact CH2-CD1 4.08Å; W319-F325 HydrophobicContact CH2-CG 4.15Å; W319-F325 HydrophobicContact CZ3-CB 4.05Å; W319-F325 AromaticContact CZ3-CD1 3.95Å; W319-F325 HydrophobicContact CZ3-CD1 3.95Å; W319-F325 HydrophobicContact CZ3-CG 4.3Å
320	G	96.5	Very high	97	Very high	3 Å²	3	26 Å²	26	3%	0.031	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	-142.2	175.5	0	0	0	0	0	114.5	Y276 K277 Q322	Y276-G320 WeakPolarHBondContact O-CA 3.18Å; K277-G320 WeakPolarHBondContact CD-O 3.21Å; K277-G320 PolarHBondContact NZ-O 3.17Å; K277-G320 CarbonylContact O-C 3.41Å; K277-G320 VanDerWaalsContact O-C 3.3Å; G320-Q322 PolarHBondContact O-N 2.87Å
321	D	97	Very high	96.9	Very high	68 Å²	68	29.7 Å²	29.7	36%	0.364	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-93.4	79.6	175.4	-171.6	16.7	0	0	0	109.1	K277 G323 Y324	K277-D321 PolarHBondContact O-N 3.49Å; D321-G323 VanDerWaalsContact C-N 3.31Å; D321-G323 PolarHBondContact O-N 3.14Å; D321-Y324 PolarHBondContact N-O 2.74Å; D321-Y324 WeakPolarHBondContact O-CB 3.2Å; D321-Y324 WeakPolarHBondContact O-CD2 3.34Å; D321-Y324 PolarHBondContact O-N 2.91Å
322	Q	96.1	Very high	96.9	Very high	141 Å²	141	32.4 Å²	32.4	66%	0.659	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	39.2	-177.6	-56.6	-178.1	-8.9	0	0	113.5	N317 G320 Y324	N317-Q322 CarbonylContact O-C 3.54Å; N317-Q322 VanDerWaalsContact O-CA 3.22Å; N317-Q322 WeakPolarHBondContact O-CA 3.04Å; G320-Q322 PolarHBondContact O-N 2.87Å; Q322-Y324 VanDerWaalsContact C-N 3.3Å; Q322-Y324 WeakPolarHBondContact O-CD2 3.4Å
323	G	97	Very high	96.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-6.5	-174.5	0	0	0	0	0	114.8	N313 N316 W319 D321	N313-G323 WeakPolarHBondContact CB-O 3.46Å; N313-G323 PolarHBondContact N-O 2.04Å; N316-G323 WeakPolarHBondContact O-CA 3.16Å; W319-G323 WeakPolarHBondContact O-CA 3.22Å; W319-G323 PolarHBondContact O-N 2.8Å; D321-G323 VanDerWaalsContact C-N 3.31Å; D321-G323 PolarHBondContact O-N 3.14Å
324	Y	98.6	Very high	96.9	Very high	16 Å²	16	34.4 Å²	34.4	6%	0.063	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	160.4	175.8	-58	-90.8	0	0	0	111.5	R100 Q110 I112 I297 C311 A312 D321 Q322	R100-Y324 WeakPolarHBondContact CD-OH 3.26Å; R100-Y324 VanDerWaalsContact NH1-CE2 3.25Å; R100-Y324 PolarHBondContact NH1-OH 2.84Å; Q110-Y324 WeakPolarHBondContact CA-OH 3.37Å; Q110-Y324 PolarHBondContact O-OH 3.03Å; I112-Y324 HydrophobicContact CD1-CD1 4.17Å; I112-Y324 HydrophobicContact CD1-CD2 4.16Å; I112-Y324 HydrophobicContact CD1-CE1 3.74Å; I112-Y324 HydrophobicContact CD1-CE2 3.69Å; I112-Y324 HydrophobicContact CD1-CG 4.37Å; I112-Y324 VanDerWaalsContact CD1-CZ 3.46Å; I112-Y324 HydrophobicContact CG1-CD2 4.4Å; I112-Y324 HydrophobicContact CG1-CE2 3.76Å; I297-Y324 HydrophobicContact CD1-CD1 4.06Å; I297-Y324 HydrophobicContact CD1-CE1 3.67Å; C311-Y324 CarbonylContact O-C 3.54Å; C311-Y324 VanDerWaalsContact O-CA 3.28Å; C311-Y324 WeakPolarHBondContact O-CA 3.02Å; A312-Y324 HydrophobicContact CB-CD1 4Å; A312-Y324 HydrophobicContact CB-CE1 3.88Å; D321-Y324 PolarHBondContact N-O 2.74Å; D321-Y324 WeakPolarHBondContact O-CB 3.2Å; D321-Y324 WeakPolarHBondContact O-CD2 3.34Å; D321-Y324 PolarHBondContact O-N 2.91Å; Q322-Y324 VanDerWaalsContact C-N 3.3Å; Q322-Y324 WeakPolarHBondContact O-CD2 3.4Å
325	F	98.7	Very high	96.9	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	163.4	164.1	71	-76.6	0	0	0	110.6	F267 F273 Y276 I294 C311 N313 W319 I327	F267-F325 HydrophobicContact CE1-CZ 4.11Å; F267-F325 HydrophobicContact CZ-CE2 4.5Å; F267-F325 HydrophobicContact CZ-CZ 4.08Å; F273-F325 AromaticContact CE2-CD2 3.7Å; F273-F325 HydrophobicContact CE2-CD2 3.7Å; F273-F325 AromaticContact CE2-CE2 3.83Å; F273-F325 HydrophobicContact CE2-CE2 3.83Å; F273-F325 HydrophobicContact CE2-CG 4.17Å; F273-F325 HydrophobicContact CE2-CZ 4.4Å; F273-F325 HydrophobicContact CZ-CD1 4.25Å; F273-F325 AromaticContact CZ-CD2 3.97Å; F273-F325 HydrophobicContact CZ-CD2 3.97Å; F273-F325 HydrophobicContact CZ-CE1 4.19Å; F273-F325 AromaticContact CZ-CE2 3.91Å; F273-F325 HydrophobicContact CZ-CE2 3.91Å; F273-F325 HydrophobicContact CZ-CG 4.13Å; F273-F325 HydrophobicContact CZ-CZ 4.01Å; Y276-F325 HydrophobicContact CD1-CB 3.6Å; Y276-F325 HydrophobicContact CE1-CB 3.21Å; Y276-F325 HydrophobicContact CE2-CB 4.26Å; Y276-F325 HydrophobicContact CG-CB 4.3Å; I294-F325 HydrophobicContact CB-CE1 4.33Å; I294-F325 HydrophobicContact CG1-CE1 4.34Å; I294-F325 HydrophobicContact CG1-CZ 4.08Å; I294-F325 HydrophobicContact CG2-CE1 3.96Å; I294-F325 HydrophobicContact CG2-CZ 4.28Å; C311-F325 HydrophobicContact CB-CD1 3.72Å; C311-F325 HydrophobicContact CB-CD2 4.37Å; C311-F325 HydrophobicContact CB-CE1 3.26Å; C311-F325 HydrophobicContact CB-CE2 3.99Å; C311-F325 HydrophobicContact CB-CG 4.25Å; C311-F325 HydrophobicContact CB-CZ 3.43Å; C311-F325 VanDerWaalsContact CB-CZ 3.43Å; C311-F325 PolarHBondContact N-O 3.05Å; C311-F325 PolarHBondContact O-N 2.94Å; N313-F325 HydrophobicContact CB-CD1 4.3Å; N313-F325 HydrophobicContact CB-CE1 4.36Å; W319-F325 HydrophobicContact CH2-CB 4.01Å; W319-F325 HydrophobicContact CH2-CD1 4.08Å; W319-F325 HydrophobicContact CH2-CG 4.15Å; W319-F325 HydrophobicContact CZ3-CB 4.05Å; W319-F325 AromaticContact CZ3-CD1 3.95Å; W319-F325 HydrophobicContact CZ3-CD1 3.95Å; W319-F325 HydrophobicContact CZ3-CG 4.3Å; F325-I327 HydrophobicContact CD2-CB 4.14Å; F325-I327 HydrophobicContact CD2-CG2 4.44Å; F325-I327 HydrophobicContact CE2-CB 3.85Å; F325-I327 HydrophobicContact CE2-CD1 4.48Å; F325-I327 HydrophobicContact CE2-CG2 3.87Å
326	K	98.7	Very high	97	Very high	48 Å²	48	34.8 Å²	34.8	21%	0.209	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.9	169.1	-58.7	168.7	-176	170.5	0	108.2	Y276 G279 V280 Y281 Y308 W309 L310	Y276-K326 PolarHBondContact OH-N 3.48Å; G279-K326 WeakPolarHBondContact O-CB 3.07Å; V280-K326 HydrophobicContact CG2-CB 4.03Å; V280-K326 HydrophobicContact CG2-CD 4.48Å; Y281-K326 VanDerWaalsContact CB-O 3.28Å; Y281-K326 WeakPolarHBondContact CB-O 3.4Å; Y281-K326 PolarHBondContact N-O 2.78Å; Y308-K326 HydrophobicContact CD1-CD 4.16Å; Y308-K326 HydrophobicContact CD2-CB 3.89Å; Y308-K326 HydrophobicContact CD2-CD 3.81Å; Y308-K326 HydrophobicContact CD2-CG 3.67Å; Y308-K326 HydrophobicContact CE1-CD 4.07Å; Y308-K326 HydrophobicContact CE2-CD 3.75Å; Y308-K326 HydrophobicContact CE2-CG 3.91Å; Y308-K326 HydrophobicContact CG-CB 3.99Å; Y308-K326 HydrophobicContact CG-CD 4.04Å; Y308-K326 HydrophobicContact CG-CG 4.14Å; W309-K326 VanDerWaalsContact O-CA 3.24Å; W309-K326 WeakPolarHBondContact O-CA 3.45Å; L310-K326 HydrophobicContact CD1-CG 4.09Å
327	I	98.7	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.7	177.6	-178.6	166.5	0	0	0	109.5	F267 Y281 Y308 W309 F325 R329 E333 C334 I336	F267-I327 HydrophobicContact CD2-CD1 4.28Å; Y281-I327 HydrophobicContact CD1-CD1 3.93Å; Y281-I327 HydrophobicContact CD1-CG1 3.98Å; Y281-I327 HydrophobicContact CE1-CD1 4.39Å; Y308-I327 CarbonylContact C-O 3.58Å; Y308-I327 WeakPolarHBondContact CA-O 3.24Å; Y308-I327 WeakPolarHBondContact CB-O 2.98Å; W309-I327 HydrophobicContact CB-CG2 3.91Å; W309-I327 PolarHBondContact N-O 3.38Å; W309-I327 PolarHBondContact O-N 3.29Å; W309-I327 VanDerWaalsContact O-N 3.15Å; F325-I327 HydrophobicContact CD2-CB 4.14Å; F325-I327 HydrophobicContact CD2-CG2 4.44Å; F325-I327 HydrophobicContact CE2-CB 3.85Å; F325-I327 HydrophobicContact CE2-CD1 4.48Å; F325-I327 HydrophobicContact CE2-CG2 3.87Å; I327-R329 PolarHBondContact O-N 2.82Å; I327-E333 HydrophobicContact CD1-CB 4.46Å; I327-E333 HydrophobicContact CD1-CG 4.08Å; I327-E333 HydrophobicContact CG1-CB 4.17Å; I327-E333 HydrophobicContact CG1-CG 3.83Å; I327-C334 HydrophobicContact CD1-CB 4.27Å; I327-I336 HydrophobicContact CD1-CD1 4.25Å; I327-I336 HydrophobicContact CD1-CG2 4.49Å; I327-I336 HydrophobicContact CG2-CD1 3.52Å
328	L	98.3	Very high	97.5	Very high	27 Å²	27	33.8 Å²	33.8	14%	0.141	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	131.5	-177.6	-179.1	65.1	0	0	0	110.6	V280 Y281 K282 I306 T331 E333	V280-L328 HydrophobicContact CG1-CB 4.06Å; V280-L328 HydrophobicContact CG1-CD1 4.47Å; Y281-L328 PolarHBondContact O-N 2.72Å; K282-L328 HydrophobicContact CD-CD2 3.77Å; K282-L328 HydrophobicContact CG-CD2 3.96Å; I306-L328 HydrophobicContact CG2-CD1 3.58Å; L328-T331 HydrophobicContact CD2-CG2 4.49Å; L328-T331 WeakPolarHBondContact CD2-OG1 3.34Å; L328-E333 HydrophobicContact CB-CB 3.91Å; L328-E333 HydrophobicContact CB-CG 3.99Å; L328-E333 WeakPolarHBondContact O-CB 3.49Å
329	R	98.4	Very high	97.7	Very high	15 Å²	15	30.8 Å²	30.8	6%	0.057	17%	0.174	C	C	.	.			trans	-108.3	150.9	-179	169.1	173.3	61.6	75.2	-20.4	111.2	E250 G300 P307 Y308 W309 I327	E250-R329 HydrophobicContact CG-CG 3.73Å; E250-R329 IonicContact OE1-CZ 3.24Å; E250-R329 IonicContact OE1-NH1 3.58Å; E250-R329 PolarHBondContact OE1-NH1 3.45Å; E250-R329 WeakPolarHBondContact OE2-CG 3.3Å; E250-R329 IonicContact OE2-CZ 3.24Å; E250-R329 IonicContact OE2-NH1 3.57Å; E250-R329 PolarHBondContact OE2-NH1 2.87Å; G300-R329 PolarHBondContact O-NH2 3.48Å; P307-R329 HydrophobicContact CB-CB 4.27Å; P307-R329 VanDerWaalsContact CB-CZ 3.43Å; P307-R329 WeakPolarHBondContact CG-O 3.28Å; P307-R329 PolarHBondContact O-N 3.23Å; P307-R329 VanDerWaalsContact O-N 3.12Å; Y308-R329 VanDerWaalsContact C-CB 3.5Å; Y308-R329 PolarHBondContact O-NE 2.7Å; Y308-R329 VanDerWaalsContact O-NE 3.14Å; W309-R329 HydrophobicContact CD2-CB 4.18Å; W309-R329 HydrophobicContact CD2-CG 3.92Å; W309-R329 VanDerWaalsContact CE2-CD 3.43Å; W309-R329 HydrophobicContact CG-CB 4.02Å; W309-R329 HydrophobicContact CG-CG 4.29Å; W309-R329 HydrophobicContact CH2-CG 4.29Å; W309-R329 VanDerWaalsContact CZ2-CD 3.49Å; W309-R329 HydrophobicContact CZ2-CG 3.62Å; I327-R329 PolarHBondContact O-N 2.82Å
330	G	97.4	Very high	97.9	Very high	43 Å²	43	30.6 Å²	30.6	44%	0.443	17%	0.173	S	C	.	.	S	Bend	trans	87.6	4.5	173.6	0	0	0	0	0	114.5	E250 E337	E250-G330 WeakPolarHBondContact OE2-CA 3.28Å; G330-E337 PolarHBondContact N-OE1 3.06Å
331	T	97.3	Very high	98	Very high	90 Å²	90	30.5 Å²	30.5	55%	0.552	17%	0.172	S	C	*	.	S	Bend	trans	-130	8.9	-178.2	55	0	0	0	0	112.7	L328 E333	L328-T331 HydrophobicContact CD2-CG2 4.49Å; L328-T331 WeakPolarHBondContact CD2-OG1 3.34Å; T331-E333 PolarHBondContact O-N 3.45Å
332	N	98.2	Very high	98	Very high	57 Å²	57	27.2 Å²	27.2	31%	0.305	16%	0.155	S	C	.	.			trans	51	41.2	-173.2	-166.1	32.8	0	0	0	112.3	C334 G335 I336 E337 S338	N332-C334 PolarHBondContact O-N 3.11Å; N332-G335 WeakPolarHBondContact O-CA 3.2Å; N332-G335 PolarHBondContact O-N 3.43Å; N332-G335 WeakPolarHBondContact OD1-CA 3.23Å; N332-G335 PolarHBondContact OD1-O 3.2Å; N332-I336 PolarHBondContact OD1-N 3.02Å; N332-E337 WeakPolarHBondContact CA-OE2 3.29Å; N332-E337 HydrophobicContact CB-CB 4.34Å; N332-E337 PolarHBondContact N-OE2 3.42Å; N332-E337 WeakPolarHBondContact OD1-CA 3.31Å; N332-E337 WeakPolarHBondContact OD1-CB 3.4Å; N332-E337 PolarHBondContact OD1-N 3.39Å; N332-S338 PolarHBondContact ND2-OG 3.1Å; N332-S338 PolarHBondContact OD1-N 2.62Å; N332-S338 VanDerWaalsContact OD1-N 3.08Å; N332-S338 PolarHBondContact OD1-OG 3.12Å
333	E	98.4	Very high	98.2	Very high	30 Å²	30	20.5 Å²	20.5	14%	0.14	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-53.3	126.6	-178.3	179.2	61.5	-155.5	0	0	110	K282 H283 I327 L328 T331 G335 I336	K282-E333 WeakPolarHBondContact CG-OE2 3.35Å; H283-E333 PolarHBondContact N-OE1 2.91Å; I327-E333 HydrophobicContact CD1-CB 4.46Å; I327-E333 HydrophobicContact CD1-CG 4.08Å; I327-E333 HydrophobicContact CG1-CB 4.17Å; I327-E333 HydrophobicContact CG1-CG 3.83Å; L328-E333 HydrophobicContact CB-CB 3.91Å; L328-E333 HydrophobicContact CB-CG 3.99Å; L328-E333 WeakPolarHBondContact O-CB 3.49Å; T331-E333 PolarHBondContact O-N 3.45Å; E333-G335 PolarHBondContact O-N 2.99Å; E333-I336 WeakPolarHBondContact O-CB 3.49Å; E333-I336 VanDerWaalsContact O-CG2 3.25Å; E333-I336 WeakPolarHBondContact O-CG2 3.23Å; E333-I336 PolarHBondContact O-N 2.7Å; E333-I336 VanDerWaalsContact O-N 3.15Å
334	C	98.2	Very high	98.2	Very high	12 Å²	12	22.8 Å²	22.8	8%	0.081	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	53.7	25.2	-175.5	-61.5	0	0	0	0	114.3	F267 Y268 Y270 I327 N332 I336	F267-C334 WeakPolarHBondContact CA-O 3.32Å; F267-C334 HydrophobicContact CB-CB 4.32Å; F267-C334 WeakPolarHBondContact CB-O 3.13Å; F267-C334 HydrophobicContact CD2-CB 4.02Å; Y268-C334 VanDerWaalsContact CD2-O 3.24Å; Y268-C334 WeakPolarHBondContact CD2-O 3.27Å; Y268-C334 PolarHBondContact N-O 3.17Å; Y268-C334 WeakPolarHBondContact O-CB 3.39Å; Y270-C334 HydrophobicContact CE2-CB 4.41Å; I327-C334 HydrophobicContact CD1-CB 4.27Å; N332-C334 PolarHBondContact O-N 3.11Å; C334-I336 VanDerWaalsContact C-N 3.26Å; C334-I336 PolarHBondContact O-N 2.81Å
335	G	97.9	Very high	98.3	Very high	10 Å²	10	22.5 Å²	22.5	10%	0.103	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	73.8	9.8	179.2	0	0	0	0	0	115.2	N332 E333 E337 S338	N332-G335 WeakPolarHBondContact O-CA 3.2Å; N332-G335 PolarHBondContact O-N 3.43Å; N332-G335 WeakPolarHBondContact OD1-CA 3.23Å; N332-G335 PolarHBondContact OD1-O 3.2Å; E333-G335 PolarHBondContact O-N 2.99Å; G335-E337 VanDerWaalsContact C-N 3.31Å; G335-E337 PolarHBondContact O-N 3.16Å; G335-S338 PolarHBondContact O-N 3.01Å
336	I	98.6	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-60.8	-36	-168.3	-166.9	170.9	0	0	0	114.1	G266 F267 I294 I296 I327 N332 E333 C334 V340	G266-I336 WeakPolarHBondContact O-CA 3.45Å; F267-I336 HydrophobicContact CB-CB 3.9Å; F267-I336 HydrophobicContact CB-CG1 4.12Å; I294-I336 HydrophobicContact CD1-CD1 4.34Å; I296-I336 HydrophobicContact CD1-CD1 4.27Å; I296-I336 HydrophobicContact CD1-CG1 4.22Å; I327-I336 HydrophobicContact CD1-CD1 4.25Å; I327-I336 HydrophobicContact CD1-CG2 4.49Å; I327-I336 HydrophobicContact CG2-CD1 3.52Å; N332-I336 PolarHBondContact OD1-N 3.02Å; E333-I336 WeakPolarHBondContact O-CB 3.49Å; E333-I336 VanDerWaalsContact O-CG2 3.25Å; E333-I336 WeakPolarHBondContact O-CG2 3.23Å; E333-I336 PolarHBondContact O-N 2.7Å; E333-I336 VanDerWaalsContact O-N 3.15Å; C334-I336 VanDerWaalsContact C-N 3.26Å; C334-I336 PolarHBondContact O-N 2.81Å; I336-V340 WeakPolarHBondContact O-CG2 3.44Å
337	E	98.6	Very high	98.1	Very high	10 Å²	10	25.9 Å²	25.9	5%	0.047	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-78.2	-24.6	-176.1	-66.5	166.9	170.5	0	0	111.8	S248 I253 W309 G330 N332 G335 M339	S248-E337 WeakPolarHBondContact CA-O 3.43Å; S248-E337 WeakPolarHBondContact CB-O 3.41Å; I253-E337 HydrophobicContact CD1-CB 3.83Å; I253-E337 HydrophobicContact CD1-CG 3.91Å; W309-E337 HydrophobicContact CZ2-CG 4.32Å; W309-E337 PolarHBondContact NE1-OE1 3.48Å; G330-E337 PolarHBondContact N-OE1 3.06Å; N332-E337 WeakPolarHBondContact CA-OE2 3.29Å; N332-E337 HydrophobicContact CB-CB 4.34Å; N332-E337 PolarHBondContact N-OE2 3.42Å; N332-E337 WeakPolarHBondContact OD1-CA 3.31Å; N332-E337 WeakPolarHBondContact OD1-CB 3.4Å; N332-E337 PolarHBondContact OD1-N 3.39Å; G335-E337 VanDerWaalsContact C-N 3.31Å; G335-E337 PolarHBondContact O-N 3.16Å; E337-M339 VanDerWaalsContact C-N 3.27Å; E337-M339 PolarHBondContact O-N 3.12Å
338	S	97.4	Very high	97.4	Very high	45 Å²	45	33.4 Å²	33.4	32%	0.315	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-75.8	-14.8	177.8	-61.1	0	0	0	0	114	R77 N332 G335	R77-S338 PolarHBondContact NE-O 3.18Å; N332-S338 PolarHBondContact ND2-OG 3.1Å; N332-S338 PolarHBondContact OD1-N 2.62Å; N332-S338 VanDerWaalsContact OD1-N 3.08Å; N332-S338 PolarHBondContact OD1-OG 3.12Å; G335-S338 PolarHBondContact O-N 3.01Å
339	M	96.2	Very high	95.6	Very high	26 Å²	26	42 Å²	42	13%	0.128	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-122.5	34.5	-167.6	-60.4	-61.4	-177.6	0	0	112.3	F71 G266 E337	F71-M339 HydrophobicContact CB-CE 3.98Å; F71-M339 HydrophobicContact CD1-CB 4.36Å; F71-M339 HydrophobicContact CD1-CE 3.72Å; F71-M339 HydrophobicContact CD1-CG 3.67Å; F71-M339 HydrophobicContact CD1-SD 3.62Å; F71-M339 HydrophobicContact CE1-CB 4.17Å; F71-M339 HydrophobicContact CE1-CG 3.72Å; F71-M339 HydrophobicContact CE1-SD 4.31Å; F71-M339 HydrophobicContact CG-CE 4.06Å; F71-M339 HydrophobicContact CG-SD 4.45Å; G266-M339 PolarHBondContact N-O 3.36Å; G266-M339 WeakPolarHBondContact O-CB 3.4Å; E337-M339 VanDerWaalsContact C-N 3.27Å; E337-M339 PolarHBondContact O-N 3.12Å
340	V	98.8	Very high	95.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128	177.4	-174.3	0	0	0	0	111.1	R77 V246 I253 V263 E264 I296 I336	R77-V340 PolarHBondContact NH2-O 3.28Å; V246-V340 HydrophobicContact CB-CB 4.09Å; V246-V340 HydrophobicContact CB-CG1 3.76Å; V246-V340 HydrophobicContact CG1-CG1 4.48Å; V246-V340 HydrophobicContact CG2-CG1 3.74Å; V246-V340 PolarHBondContact N-O 3.38Å; V246-V340 VanDerWaalsContact N-O 3.1Å; I253-V340 HydrophobicContact CD1-CG2 3.83Å; I253-V340 HydrophobicContact CG1-CB 4.49Å; I253-V340 HydrophobicContact CG1-CG2 4.18Å; I253-V340 HydrophobicContact CG2-CG1 4.49Å; V263-V340 HydrophobicContact CB-CG1 3.75Å; V263-V340 HydrophobicContact CG1-CG1 4.27Å; V263-V340 HydrophobicContact CG2-CG1 3.51Å; E264-V340 WeakPolarHBondContact O-CA 3.13Å; I296-V340 HydrophobicContact CD1-CG2 4.08Å; I336-V340 WeakPolarHBondContact O-CG2 3.44Å
341	T	98.7	Very high	95.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.8	178.5	-174	0	0	0	0	110.7	P167 W171 Y244 E264	P167-T341 HydrophobicContact CB-CG2 3.96Å; W171-T341 VanDerWaalsContact CD1-CG2 3.47Å; W171-T341 HydrophobicContact CG-CG2 4.47Å; Y244-T341 PolarHBondContact O-OG1 3.42Å; E264-T341 HydrophobicContact CB-CG2 4.07Å; E264-T341 HydrophobicContact CG-CG2 4.38Å; E264-T341 PolarHBondContact N-O 3.39Å; E264-T341 VanDerWaalsContact N-O 3.15Å; E264-T341 PolarHBondContact O-N 3.19Å
342	A	98.8	Very high	95.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	-177.5	-173.7	0	0	0	0	0	112	Y244 V246 E256 V263	Y244-A342 HydrophobicContact CD2-CB 4.22Å; Y244-A342 HydrophobicContact CE2-CB 3.62Å; Y244-A342 PolarHBondContact N-O 3.19Å; Y244-A342 PolarHBondContact O-N 3.14Å; Y244-A342 VanDerWaalsContact O-O 3.04Å; V246-A342 HydrophobicContact CG2-CB 3.95Å; E256-A342 HydrophobicContact CG-CB 4.48Å; V263-A342 HydrophobicContact CG1-CB 4.01Å
343	G	98.7	Very high	95.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.			trans	-172.6	164.1	-176.3	0	0	0	0	0	110.6	R133 S242 Y244	R133-G343 VanDerWaalsContact CD-O 3.26Å; R133-G343 WeakPolarHBondContact CD-O 3.29Å; R133-G343 PolarHBondContact NH1-O 2.97Å; S242-G343 WeakPolarHBondContact O-CA 3.34Å; Y244-G343 VanDerWaalsContact CE1-CA 3.42Å
344	L	98.7	Very high	94.9	Very high	48 Å²	48	40.5 Å²	40.5	25%	0.251	20%	0.204	S	C	.	.			trans	-108.4	143.9	174.3	-63.1	177.9	0	0	0	110.2	G240 K241 S242 Y244 N260	G240-L344 CarbonylContact C-O 3.29Å; G240-L344 WeakPolarHBondContact CA-O 3.48Å; K241-L344 WeakPolarHBondContact CB-O 3.48Å; K241-L344 PolarHBondContact N-O 2.87Å; S242-L344 PolarHBondContact N-O 3.02Å; S242-L344 PolarHBondContact O-N 3.25Å; S242-L344 PolarHBondContact OG-N 3.09Å; Y244-L344 HydrophobicContact CE1-CG 4.21Å; N260-L344 HydrophobicContact CB-CD2 4.02Å
345	P	98.6	Very high	94.7	Very high	10 Å²	10	42.4 Å²	42.4	7%	0.065	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	145.4	178.6	30.6	-35.2	0	0	0	111.7	I134 H137 W174 L347	I134-P345 HydrophobicContact CG1-CB 3.74Å; H137-P345 HydrophobicContact CB-CG 3.63Å; W174-P345 HydrophobicContact CH2-CB 3.78Å; W174-P345 HydrophobicContact CZ2-CB 3.89Å; P345-L347 HydrophobicContact CB-CD2 4.01Å; P345-L347 HydrophobicContact CB-CG 4.41Å; P345-L347 HydrophobicContact CG-CD2 4.21Å; P345-L347 HydrophobicContact CG-CG 4.33Å
346	N	98.3	Very high	94.4	Very high	63 Å²	63	44.7 Å²	44.7	34%	0.337	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	108.9	164.6	-173	4.8	0	0	0	109.2	Y239 K241 H348	Y239-N346 WeakPolarHBondContact O-CB 3.32Å; Y239-N346 PolarHBondContact O-N 3.38Å; K241-N346 HydrophobicContact CB-CB 4.08Å; N346-H348 PolarHBondContact OD1-N 3.23Å; N346-H348 VanDerWaalsContact OD1-N 3.14Å; N346-H348 PolarHBondContact OD1-O 2.91Å
347	L	95.5	Very high	94.1	Very high	57 Å²	57	48.2 Å²	48.2	30%	0.298	24%	0.237	S	C	.	.			trans	-96.9	-2.8	-178.6	-57.5	179.1	0	0	0	113.2	I134 H137 I142 P345	I134-L347 HydrophobicContact CG2-CD2 4.43Å; H137-L347 HydrophobicContact CB-CD1 3.82Å; H137-L347 WeakPolarHBondContact O-CD1 3.46Å; I142-L347 HydrophobicContact CD1-CD2 4.28Å; P345-L347 HydrophobicContact CB-CD2 4.01Å; P345-L347 HydrophobicContact CB-CG 4.41Å; P345-L347 HydrophobicContact CG-CD2 4.21Å; P345-L347 HydrophobicContact CG-CG 4.33Å
348	H	83.9	Confident	93.7	Very high	157 Å²	157	51.3 Å²	51.3	73%	0.727	25%	0.253	S	S	*	.			trans	-89.8	107.6	174.5	-56.7	-71.5	0	0	0	107.8	N346	N346-H348 PolarHBondContact OD1-N 3.23Å; N346-H348 VanDerWaalsContact OD1-N 3.14Å; N346-H348 PolarHBondContact OD1-O 2.91Å
349	K	61.4	Low	93.4	Very high	209 Å²	209	51.9 Å²	51.9	91%	0.909	25%	0.247	S	C	*	.			trans	-86.2	0	168.6	-77.9	-164.3	175.5	-167.9	0	110.9

Retrieved 349 of 349 residues in 782.5 ms (Link to these results)

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