A0A077ZHM0_TRITR Loading...

Poly(U) specific endoribonuclease

AlphaFold DB , UniProt , Accession A0A077ZHM0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 324 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	30.2	Very low	32.8	Very low	220 Å²	220	154.7 Å²	154.7	100%	1.084	75%	0.754	S	S	*	*				0	97.2	0	-86.3	173.3	-170.1	0	0	107.2	F3	M1-F3 HydrophobicContact CB-CE2 4.45Å; M1-F3 HydrophobicContact CG-CE2 4.23Å
2	C	28.6	Very low	33.3	Very low	116 Å²	116	152.1 Å²	152.1	78%	0.784	76%	0.758	S	S	*	*			trans	-120.9	97.8	163.7	-70.9	0	0	0	0	104.4	Y4	C2-Y4 PolarHBondContact O-N 3.35Å
3	F	31.5	Very low	33.5	Very low	187 Å²	187	149.5 Å²	149.5	82%	0.82	75%	0.748	S	S	*	*			trans	-75.9	110.4	166.8	-73.2	-90.9	0	0	0	105.5	M1 D5	M1-F3 HydrophobicContact CB-CE2 4.45Å; M1-F3 HydrophobicContact CG-CE2 4.23Å; F3-D5 PolarHBondContact O-N 2.92Å
4	Y	33.4	Very low	34.3	Very low	184 Å²	184	154.3 Å²	154.3	72%	0.722	76%	0.755	S	S	*	*			trans	-73.2	122.3	162.3	-77.5	-86.3	0	0	0	106.4	C2 W6	C2-Y4 PolarHBondContact O-N 3.35Å; Y4-W6 PolarHBondContact O-NE1 2.89Å
5	D	29.7	Very low	35	Very low	142 Å²	142	150.3 Å²	150.3	76%	0.759	73%	0.73	S	S	*	*			trans	-73.8	124.7	172.3	-167	-7.1	0	0	0	108	F3	F3-D5 PolarHBondContact O-N 2.92Å
6	W	35.8	Very low	35.7	Very low	141 Å²	141	142.9 Å²	142.9	53%	0.534	69%	0.694	S	S	.	*			trans	-105	31.7	-166.6	-75.5	98.2	0	0	0	112.6	Y4 N122	Y4-W6 PolarHBondContact O-NE1 2.89Å; W6-N122 WeakPolarHBondContact CZ3-ND2 3.44Å; W6-N122 VanDerWaalsContact CZ3-OD1 3.23Å; W6-N122 WeakPolarHBondContact CZ3-OD1 3.26Å
7	N	31.2	Very low	36.7	Very low	126 Å²	126	139 Å²	139	67%	0.674	68%	0.678	S	S	*	*			trans	-131.9	125.2	-177.8	-76	-49.4	0	0	0	113.2
8	S	30.7	Very low	37.7	Very low	110 Å²	110	132.1 Å²	132.1	77%	0.769	64%	0.644	S	S	*	*			trans	58	102.4	155	64.5	0	0	0	0	117.9
9	Y	35.6	Very low	38.5	Very low	214 Å²	214	131.4 Å²	131.4	84%	0.839	64%	0.64	S	S	*	*			trans	-126.3	100.4	150.3	-89.3	-83.8	0	0	0	109.4	K11	Y9-K11 PolarHBondContact O-N 3.37Å
10	D	34.8	Very low	39.3	Very low	172 Å²	172	130.1 Å²	130.1	92%	0.92	63%	0.632	S	S	*	*			trans	-66.5	102.7	155.8	-82.1	-36.5	0	0	0	107.4
11	K	39.9	Very low	40.1	Very low	90 Å²	90	123.9 Å²	123.9	39%	0.391	60%	0.602	S	S	.	*			trans	-91.1	138.4	168.9	-78	-167.7	-176.4	-178.3	0	110	Y9 D135 E137	Y9-K11 PolarHBondContact O-N 3.37Å; K11-D135 IonicContact NZ-OD2 2.66Å; K11-E137 IonicContact NZ-OE1 2.66Å; K11-E137 PolarHBondContact NZ-OE1 2.81Å; K11-E137 IonicContact NZ-OE2 2.9Å; K11-E137 PolarHBondContact NZ-OE2 2.64Å
12	P	38	Very low	41.1	Very low	123 Å²	123	115.8 Å²	115.8	80%	0.799	56%	0.562	S	S	*	*			trans	-71.8	151.9	179.8	28.8	-32.9	0	0	0	113.4	Y14	P12-Y14 PolarHBondContact O-N 3.45Å
13	D	36.8	Very low	42.3	Very low	118 Å²	118	116.9 Å²	116.9	63%	0.631	56%	0.56	S	S	*	*	S	Bend	trans	-62.4	103.2	-161.5	-57.6	-67.1	0	0	0	116.7	Y15	D13-Y15 HydrophobicContact CB-CE2 4.47Å; D13-Y15 WeakPolarHBondContact OD1-CE2 3.46Å
14	Y	43.8	Very low	43.5	Very low	217 Å²	217	110.2 Å²	110.2	85%	0.851	53%	0.534	S	S	*	.			trans	-144.4	90.1	146.3	-92.9	-85.5	0	0	0	107.8	P12	P12-Y14 PolarHBondContact O-N 3.45Å
15	Y	44.9	Very low	44.6	Very low	95 Å²	95	109.2 Å²	109.2	37%	0.373	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-101.1	133.7	178.4	-60.5	-72.3	0	0	0	109.6	D13 R133	D13-Y15 HydrophobicContact CB-CE2 4.47Å; D13-Y15 WeakPolarHBondContact OD1-CE2 3.46Å; Y15-R133 HydrophobicContact CD1-CB 3.45Å; Y15-R133 VanDerWaalsContact CD1-CB 3.45Å; Y15-R133 HydrophobicContact CD1-CG 4.36Å; Y15-R133 HydrophobicContact CE1-CB 3.83Å; Y15-R133 HydrophobicContact CG-CB 3.87Å; Y15-R133 HydrophobicContact CG-CG 4.36Å
16	I	47.1	Very low	46.4	Very low	31 Å²	31	103.7 Å²	103.7	16%	0.159	51%	0.508	C	S	.	.	B	Isolated β-bridge	trans	-96.5	129	-178	-55.1	177.5	0	0	0	108	E20 L21 L134 D136	I16-E20 WeakPolarHBondContact CA-OE2 3.23Å; I16-E20 HydrophobicContact CG2-CB 3.48Å; I16-E20 VanDerWaalsContact CG2-CB 3.48Å; I16-L21 HydrophobicContact CB-CD2 4.12Å; I16-L21 HydrophobicContact CD1-CD2 4.41Å; I16-L21 HydrophobicContact CG2-CD2 3.58Å; I16-L21 HydrophobicContact CG2-CG 3.97Å; I16-L134 PolarHBondContact N-O 3.38Å; I16-D136 HydrophobicContact CD1-CB 4.03Å; I16-D136 VanDerWaalsContact CD1-OD1 3.24Å; I16-D136 WeakPolarHBondContact CD1-OD1 3.42Å
17	N	52.4	Low	48.1	Very low	77 Å²	77	103.4 Å²	103.4	41%	0.412	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-70.5	143.2	169	-176.8	-30.1	0	0	0	108.8	Q19 E20 L21	N17-Q19 PolarHBondContact O-N 2.76Å; N17-Q19 PolarHBondContact OD1-N 2.68Å; N17-E20 HydrophobicContact CB-CG 4.25Å; N17-E20 PolarHBondContact N-OE2 3.16Å; N17-E20 VanDerWaalsContact O-CA 3.32Å; N17-E20 WeakPolarHBondContact O-CA 3.46Å; N17-E20 VanDerWaalsContact O-CB 3.27Å; N17-E20 WeakPolarHBondContact O-CB 3.2Å; N17-E20 PolarHBondContact O-N 3.39Å; N17-L21 PolarHBondContact O-N 3.18Å
18	I	53.8	Low	50.2	Low	14 Å²	14	97.5 Å²	97.5	7%	0.072	48%	0.481	C	S	.	.	H	α-helix	trans	-53.2	-30.2	173.3	-66.2	-155.9	0	0	0	113.1	E20 L21 E22 L134 F184 L186	I18-E20 VanDerWaalsContact C-N 3.27Å; I18-E20 PolarHBondContact O-N 3.12Å; I18-L21 HydrophobicContact CB-CD1 4.28Å; I18-L21 HydrophobicContact CD1-CD1 4.49Å; I18-L21 HydrophobicContact CG1-CD1 3.85Å; I18-L21 WeakPolarHBondContact O-CB 3.37Å; I18-L21 PolarHBondContact O-N 3.35Å; I18-E22 PolarHBondContact O-N 3.36Å; I18-E22 VanDerWaalsContact O-N 3.16Å; I18-L134 HydrophobicContact CD1-CD1 4.2Å; I18-L134 HydrophobicContact CG1-CD1 4.4Å; I18-F184 VanDerWaalsContact CD1-O 3.26Å; I18-F184 WeakPolarHBondContact CD1-O 3.47Å; I18-L186 HydrophobicContact CD1-CB 4.05Å; I18-L186 HydrophobicContact CD1-CD1 3.35Å; I18-L186 HydrophobicContact CD1-CD2 4.47Å; I18-L186 HydrophobicContact CD1-CG 3.31Å; I18-L186 HydrophobicContact CG1-CD1 3.74Å; I18-L186 HydrophobicContact CG1-CG 4.24Å
19	Q	54	Low	51.8	Low	120 Å²	120	92.5 Å²	92.5	56%	0.561	45%	0.445	S	S	*	.	H	α-helix	trans	-64.2	-30.4	171.2	-73.9	-178.7	-20.7	0	0	113.6	N17 N23	N17-Q19 PolarHBondContact O-N 2.76Å; N17-Q19 PolarHBondContact OD1-N 2.68Å; Q19-N23 PolarHBondContact O-ND2 3.49Å
20	E	53.6	Low	52.8	Low	105 Å²	105	82.7 Å²	82.7	49%	0.491	41%	0.408	S	S	.	.	H	α-helix	trans	-76.3	-33	171.8	-67.6	173.8	155.4	0	0	111.5	I16 N17 I18 E22 N23	I16-E20 WeakPolarHBondContact CA-OE2 3.23Å; I16-E20 HydrophobicContact CG2-CB 3.48Å; I16-E20 VanDerWaalsContact CG2-CB 3.48Å; N17-E20 HydrophobicContact CB-CG 4.25Å; N17-E20 PolarHBondContact N-OE2 3.16Å; N17-E20 VanDerWaalsContact O-CA 3.32Å; N17-E20 WeakPolarHBondContact O-CA 3.46Å; N17-E20 VanDerWaalsContact O-CB 3.27Å; N17-E20 WeakPolarHBondContact O-CB 3.2Å; N17-E20 PolarHBondContact O-N 3.39Å; I18-E20 VanDerWaalsContact C-N 3.27Å; I18-E20 PolarHBondContact O-N 3.12Å; E20-E22 PolarHBondContact O-N 2.59Å; E20-N23 PolarHBondContact O-N 2.88Å
21	L	55.7	Low	53.8	Low	0 Å²	0	80.7 Å²	80.7	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-57.8	-37.8	171	-56.7	176.7	0	0	0	111.2	I16 N17 I18 N23 V24 Y29 L134 R139	I16-L21 HydrophobicContact CB-CD2 4.12Å; I16-L21 HydrophobicContact CD1-CD2 4.41Å; I16-L21 HydrophobicContact CG2-CD2 3.58Å; I16-L21 HydrophobicContact CG2-CG 3.97Å; N17-L21 PolarHBondContact O-N 3.18Å; I18-L21 HydrophobicContact CB-CD1 4.28Å; I18-L21 HydrophobicContact CD1-CD1 4.49Å; I18-L21 HydrophobicContact CG1-CD1 3.85Å; I18-L21 WeakPolarHBondContact O-CB 3.37Å; I18-L21 PolarHBondContact O-N 3.35Å; L21-N23 PolarHBondContact O-N 3.4Å; L21-N23 VanDerWaalsContact O-N 3.1Å; L21-V24 PolarHBondContact O-N 2.73Å; L21-Y29 HydrophobicContact CB-CD1 4.39Å; L21-Y29 HydrophobicContact CB-CE1 3.7Å; L21-Y29 VanDerWaalsContact O-CD1 3.28Å; L21-Y29 WeakPolarHBondContact O-CD1 3.12Å; L21-L134 HydrophobicContact CD1-CD1 4.4Å; L21-R139 HydrophobicContact CD2-CB 3.83Å; L21-R139 VanDerWaalsContact CD2-CD 3.5Å; L21-R139 HydrophobicContact CD2-CG 3.77Å
22	E	52.9	Low	54.8	Low	50 Å²	50	83.2 Å²	83.2	23%	0.234	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.1	177.1	-66.7	-167.2	-170.2	0	0	114.4	I18 E20 K181	I18-E22 PolarHBondContact O-N 3.36Å; I18-E22 VanDerWaalsContact O-N 3.16Å; E20-E22 PolarHBondContact O-N 2.59Å; E22-K181 VanDerWaalsContact CD-NZ 3.28Å; E22-K181 WeakPolarHBondContact OE1-CE 3.47Å; E22-K181 IonicContact OE1-NZ 3.19Å; E22-K181 PolarHBondContact OE1-NZ 2.66Å; E22-K181 IonicContact OE2-NZ 3.4Å; E22-K181 PolarHBondContact OE2-NZ 3.47Å
23	N	52.1	Low	55.9	Low	139 Å²	139	82 Å²	82	74%	0.743	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-0.1	-179.5	-66.5	-41.2	0	0	0	114	Q19 E20 L21	Q19-N23 PolarHBondContact O-ND2 3.49Å; E20-N23 PolarHBondContact O-N 2.88Å; L21-N23 PolarHBondContact O-N 3.4Å; L21-N23 VanDerWaalsContact O-N 3.1Å
24	V	57.9	Low	57.3	Low	46 Å²	46	77.5 Å²	77.5	28%	0.279	37%	0.369	S	S	.	.	S	Bend	trans	-86.1	141.9	-178.7	-176	0	0	0	0	110.8	L21 S26 Y29	L21-V24 PolarHBondContact O-N 2.73Å; V24-S26 PolarHBondContact O-N 3.45Å; V24-Y29 WeakPolarHBondContact O-CB 3.41Å
25	H	56.4	Low	58.7	Low	163 Å²	163	68.8 Å²	68.8	76%	0.755	34%	0.338	S	S	*	.	S	Bend	trans	-70.3	90.9	175.3	-80.9	-66.4	0	0	0	111.4	Q31	H25-Q31 PolarHBondContact CE1-OE1 2.87Å
26	S	68.2	Low	59.9	Low	27 Å²	27	69.4 Å²	69.4	19%	0.189	35%	0.354	C	S	.	.	S	Bend	trans	-144.4	155.9	170.3	137.9	0	0	0	0	110.1	V24 W28 Y29 E143	V24-S26 PolarHBondContact O-N 3.45Å; S26-W28 PolarHBondContact O-N 3.48Å; S26-W28 PolarHBondContact OG-N 2.87Å; S26-Y29 CarbonylContact O-C 3.49Å; S26-Y29 PolarHBondContact O-N 2.77Å; S26-Y29 VanDerWaalsContact O-N 3.13Å; S26-Y29 WeakPolarHBondContact OG-CD2 3.14Å; S26-E143 WeakPolarHBondContact CB-OE1 3.33Å; S26-E143 PolarHBondContact OG-OE1 3.11Å
27	E	71.4	Confident	61	Low	135 Å²	135	75.2 Å²	75.2	63%	0.631	38%	0.381	S	S	*	.	S	Bend	trans	-63.5	-22.7	-178.9	-63.9	-159.4	165.2	0	0	112.8	N176	E27-N176 VanDerWaalsContact O-CB 3.27Å; E27-N176 WeakPolarHBondContact O-CB 3.34Å
28	W	74.9	Confident	61.7	Low	2 Å²	2	72.2 Å²	72.2	1%	0.008	37%	0.365	C	S	.	.	S	Bend	trans	-81.2	-26.4	177.5	-59.2	100	0	0	0	112.6	S26 L146 D147 A150 N176 K177 F179 F180	S26-W28 PolarHBondContact O-N 3.48Å; S26-W28 PolarHBondContact OG-N 2.87Å; W28-L146 HydrophobicContact CB-CD1 4.5Å; W28-L146 HydrophobicContact CD2-CB 3.81Å; W28-L146 HydrophobicContact CD2-CD1 3.69Å; W28-L146 HydrophobicContact CD2-CG 4.28Å; W28-L146 HydrophobicContact CE3-CB 4.22Å; W28-L146 HydrophobicContact CE3-CD1 3.84Å; W28-L146 HydrophobicContact CE3-CD2 4.28Å; W28-L146 HydrophobicContact CE3-CG 4.37Å; W28-L146 HydrophobicContact CG-CB 4.44Å; W28-L146 HydrophobicContact CG-CD1 3.94Å; W28-L146 HydrophobicContact CH2-CB 3.85Å; W28-L146 HydrophobicContact CH2-CD2 4.17Å; W28-L146 VanDerWaalsContact CZ2-C 3.42Å; W28-L146 HydrophobicContact CZ2-CB 3.44Å; W28-L146 VanDerWaalsContact CZ2-CB 3.44Å; W28-L146 HydrophobicContact CZ2-CG 4.48Å; W28-L146 WeakPolarHBondContact CZ2-O 3.32Å; W28-L146 HydrophobicContact CZ3-CB 4.23Å; W28-L146 HydrophobicContact CZ3-CD1 4.4Å; W28-L146 HydrophobicContact CZ3-CD2 4.01Å; W28-L146 HydrophobicContact CZ3-CG 4.47Å; W28-D147 PolarHBondContact NE1-OD1 3.07Å; W28-A150 HydrophobicContact CH2-CB 4.14Å; W28-A150 HydrophobicContact CZ2-CB 3.93Å; W28-N176 HydrophobicContact CD2-CB 4.25Å; W28-N176 HydrophobicContact CE3-CB 3.7Å; W28-N176 HydrophobicContact CZ3-CB 3.98Å; W28-K177 VanDerWaalsContact O-CA 3.3Å; W28-K177 WeakPolarHBondContact O-CA 3.49Å; W28-F179 HydrophobicContact CH2-CD1 4.44Å; W28-F179 HydrophobicContact CZ3-CB 4.34Å; W28-F179 AromaticContact CZ3-CD1 3.69Å; W28-F179 HydrophobicContact CZ3-CD1 3.69Å; W28-F179 HydrophobicContact CZ3-CE1 4.43Å; W28-F179 HydrophobicContact CZ3-CG 4.32Å; W28-F180 HydrophobicContact CB-CB 4.46Å; W28-F180 HydrophobicContact CB-CD2 4.32Å
29	Y	64.8	Low	62.3	Low	5 Å²	5	75.3 Å²	75.3	2%	0.02	38%	0.381	C	S	.	.	S	Bend	trans	-111.1	60	-178.8	-54.4	-75.1	0	0	0	110.2	L21 V24 S26 Q31 R139 E143 F180	L21-Y29 HydrophobicContact CB-CD1 4.39Å; L21-Y29 HydrophobicContact CB-CE1 3.7Å; L21-Y29 VanDerWaalsContact O-CD1 3.28Å; L21-Y29 WeakPolarHBondContact O-CD1 3.12Å; V24-Y29 WeakPolarHBondContact O-CB 3.41Å; S26-Y29 CarbonylContact O-C 3.49Å; S26-Y29 PolarHBondContact O-N 2.77Å; S26-Y29 VanDerWaalsContact O-N 3.13Å; S26-Y29 WeakPolarHBondContact OG-CD2 3.14Å; Y29-Q31 PolarHBondContact O-N 3.28Å; Y29-R139 HydrophobicContact CE2-CG 4.2Å; Y29-E143 HydrophobicContact CE2-CG 4.22Å; Y29-E143 VanDerWaalsContact CE2-OE1 3.24Å; Y29-E143 WeakPolarHBondContact CE2-OE1 3.09Å; Y29-F180 HydrophobicContact CD1-CD1 4.28Å; Y29-F180 HydrophobicContact CD1-CE1 4.22Å; Y29-F180 HydrophobicContact CD1-CZ 4.45Å; Y29-F180 AromaticContact CE1-CD1 3.76Å; Y29-F180 HydrophobicContact CE1-CD1 3.76Å; Y29-F180 AromaticContact CE1-CD2 3.98Å; Y29-F180 HydrophobicContact CE1-CD2 3.98Å; Y29-F180 AromaticContact CE1-CE1 3.35Å; Y29-F180 HydrophobicContact CE1-CE1 3.35Å; Y29-F180 AromaticContact CE1-CE2 3.58Å; Y29-F180 HydrophobicContact CE1-CE2 3.58Å; Y29-F180 HydrophobicContact CE1-CG 4.08Å; Y29-F180 AromaticContact CE1-CZ 3.26Å; Y29-F180 HydrophobicContact CE1-CZ 3.26Å; Y29-F180 HydrophobicContact CE2-CE2 4.44Å; Y29-F180 AromaticContact CZ-CD2 3.98Å; Y29-F180 AromaticContact CZ-CE2 3.41Å; Y29-F180 VanDerWaalsContact CZ-CE2 3.41Å; Y29-F180 AromaticContact CZ-CZ 3.48Å; Y29-F180 VanDerWaalsContact CZ-CZ 3.48Å; Y29-F180 WeakPolarHBondContact OH-CE2 3.42Å; Y29-F180 WeakPolarHBondContact OH-CZ 3.36Å
30	S	55.9	Low	62.7	Low	8 Å²	8	71.9 Å²	71.9	6%	0.056	37%	0.373	C	S	.	.			trans	-53.8	121	-178.1	-169.1	0	0	0	0	111.3	Y32 P173 K177	S30-Y32 PolarHBondContact O-N 3.47Å; S30-Y32 PolarHBondContact OG-N 2.86Å; S30-P173 WeakPolarHBondContact CB-O 3.5Å; S30-P173 WeakPolarHBondContact OG-CB 3.29Å; S30-K177 PolarHBondContact O-NZ 3.27Å
31	Q	55.3	Low	63.1	Low	130 Å²	130	69.6 Å²	69.6	61%	0.607	36%	0.361	S	S	*	.	S	Bend	trans	-60	-20.8	172.6	62.7	-179.2	-23.3	0	0	112.9	H25 Y29	H25-Q31 PolarHBondContact CE1-OE1 2.87Å; Y29-Q31 PolarHBondContact O-N 3.28Å
32	Y	60.3	Low	63.4	Low	142 Å²	142	70.6 Å²	70.6	56%	0.557	37%	0.365	S	S	*	.	S	Bend	trans	-73.4	124.9	175.2	-62.6	-73.2	0	0	0	108.8	S30	S30-Y32 PolarHBondContact O-N 3.47Å; S30-Y32 PolarHBondContact OG-N 2.86Å
33	P	61.8	Low	63.6	Low	97 Å²	97	74.1 Å²	74.1	63%	0.63	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-59.9	150.4	172.7	26.1	-32.9	0	0	0	109.5	T35	P33-T35 PolarHBondContact O-N 3.45Å
34	L	66.6	Low	63.6	Low	25 Å²	25	73.9 Å²	73.9	13%	0.131	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-56.6	130.7	164.7	-66.1	176.9	0	0	0	107.2	D38 L39 K177 V178	L34-D38 HydrophobicContact CB-CB 3.94Å; L34-D38 HydrophobicContact CD2-CB 4.06Å; L34-L39 HydrophobicContact CB-CD2 3.9Å; L34-L39 HydrophobicContact CB-CG 3.93Å; L34-L39 HydrophobicContact CD1-CD2 3.87Å; L34-K177 HydrophobicContact CD2-CD 4.45Å; L34-V178 HydrophobicContact CD2-CG2 4.08Å
35	T	72.6	Confident	63.4	Low	33 Å²	33	72.9 Å²	72.9	20%	0.202	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-68.3	160.8	175.6	47.1	0	0	0	0	110.2	P33 E37 D38 L39 R174	P33-T35 PolarHBondContact O-N 3.45Å; T35-E37 PolarHBondContact O-N 3.49Å; T35-E37 VanDerWaalsContact O-N 3.11Å; T35-D38 PolarHBondContact N-OD2 3.22Å; T35-D38 CarbonylContact O-C 3.59Å; T35-D38 WeakPolarHBondContact O-CA 2.99Å; T35-D38 WeakPolarHBondContact O-CB 3.39Å; T35-D38 PolarHBondContact O-N 2.96Å; T35-D38 PolarHBondContact OG1-N 2.77Å; T35-D38 PolarHBondContact OG1-OD2 3.08Å; T35-L39 PolarHBondContact O-N 2.77Å; T35-R174 VanDerWaalsContact CG2-CZ 3.46Å; T35-R174 PolarHBondContact OG1-NH1 3.06Å
36	P	71.1	Confident	63.2	Low	108 Å²	108	65.5 Å²	65.5	70%	0.701	33%	0.334	S	S	*	.	H	α-helix	trans	-50.9	-33.2	168.1	-28.6	36.2	0	0	0	112.7	A40	P36-A40 WeakPolarHBondContact O-CB 2.76Å; P36-A40 PolarHBondContact O-N 3.2Å
37	E	70	Confident	62.2	Low	153 Å²	153	69.1 Å²	69.1	72%	0.715	35%	0.349	S	S	*	.	H	α-helix	trans	-67.4	-41	172.2	-67.2	163.4	162.9	0	0	113	T35 Y41	T35-E37 PolarHBondContact O-N 3.49Å; T35-E37 VanDerWaalsContact O-N 3.11Å; E37-Y41 WeakPolarHBondContact O-CB 3.29Å; E37-Y41 PolarHBondContact O-N 2.96Å
38	D	66.5	Low	60.9	Low	15 Å²	15	64.2 Å²	64.2	8%	0.08	33%	0.332	C	S	.	.	H	α-helix	trans	-68	-38.6	175.8	-58.3	-46.2	0	0	0	110.6	L34 T35 Y41 M42 R174	L34-D38 HydrophobicContact CB-CB 3.94Å; L34-D38 HydrophobicContact CD2-CB 4.06Å; T35-D38 PolarHBondContact N-OD2 3.22Å; T35-D38 CarbonylContact O-C 3.59Å; T35-D38 WeakPolarHBondContact O-CA 2.99Å; T35-D38 WeakPolarHBondContact O-CB 3.39Å; T35-D38 PolarHBondContact O-N 2.96Å; T35-D38 PolarHBondContact OG1-N 2.77Å; T35-D38 PolarHBondContact OG1-OD2 3.08Å; D38-Y41 WeakPolarHBondContact O-CB 3.49Å; D38-Y41 PolarHBondContact O-N 3.42Å; D38-M42 WeakPolarHBondContact O-CB 3.21Å; D38-M42 WeakPolarHBondContact O-CG 3.38Å; D38-M42 PolarHBondContact O-N 2.94Å; D38-R174 IonicContact OD1-NH1 2.84Å; D38-R174 PolarHBondContact OD1-NH1 3.1Å; D38-R174 WeakPolarHBondContact OD2-CD 3.13Å; D38-R174 IonicContact OD2-CZ 3.96Å; D38-R174 IonicContact OD2-NE 3.35Å; D38-R174 PolarHBondContact OD2-NE 3.37Å; D38-R174 IonicContact OD2-NH1 3.95Å; D38-R174 PolarHBondContact OD2-NH1 3.32Å
39	L	67.5	Low	59.9	Low	79 Å²	79	70.3 Å²	70.3	41%	0.414	36%	0.36	S	S	.	.	H	α-helix	trans	-69.6	-45.6	176.7	-69.1	173.7	0	0	0	111.3	L34 T35 Y41 M42 E43	L34-L39 HydrophobicContact CB-CD2 3.9Å; L34-L39 HydrophobicContact CB-CG 3.93Å; L34-L39 HydrophobicContact CD1-CD2 3.87Å; T35-L39 PolarHBondContact O-N 2.77Å; L39-Y41 PolarHBondContact O-N 2.88Å; L39-M42 CarbonylContact O-C 3.56Å; L39-M42 WeakPolarHBondContact O-CB 3.42Å; L39-M42 PolarHBondContact O-N 3.48Å; L39-M42 VanDerWaalsContact O-N 3.14Å; L39-E43 WeakPolarHBondContact O-CB 3.44Å; L39-E43 WeakPolarHBondContact O-CG 3.45Å; L39-E43 PolarHBondContact O-N 3.37Å
40	A	62.4	Low	59.2	Low	48 Å²	48	80.1 Å²	80.1	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-62.2	-34.8	173.9	0	0	0	0	0	111.2	P36 E43 E44	P36-A40 WeakPolarHBondContact O-CB 2.76Å; P36-A40 PolarHBondContact O-N 3.2Å; A40-E43 PolarHBondContact O-N 2.99Å; A40-E44 WeakPolarHBondContact O-CB 3.12Å; A40-E44 PolarHBondContact O-N 3.06Å
41	Y	61.9	Low	59.1	Low	57 Å²	57	85.3 Å²	85.3	22%	0.224	43%	0.428	C	S	.	.	H	α-helix	trans	-63.4	-46.1	173.3	-178.8	-90.5	0	0	0	111.5	E37 D38 L39 E44 Y45 G166 L167	E37-Y41 WeakPolarHBondContact O-CB 3.29Å; E37-Y41 PolarHBondContact O-N 2.96Å; D38-Y41 WeakPolarHBondContact O-CB 3.49Å; D38-Y41 PolarHBondContact O-N 3.42Å; L39-Y41 PolarHBondContact O-N 2.88Å; Y41-E44 PolarHBondContact O-N 3.16Å; Y41-Y45 WeakPolarHBondContact O-CB 3.42Å; Y41-Y45 PolarHBondContact O-N 3.41Å; Y41-G166 WeakPolarHBondContact CE2-O 3.27Å; Y41-G166 PolarHBondContact OH-O 2.53Å; Y41-L167 VanDerWaalsContact CE1-O 3.24Å; Y41-L167 WeakPolarHBondContact CE1-O 3.34Å; Y41-L167 WeakPolarHBondContact OH-CA 2.9Å; Y41-L167 PolarHBondContact OH-O 2.93Å
42	M	61.1	Low	59.5	Low	20 Å²	20	80 Å²	80	10%	0.099	41%	0.406	C	S	.	.	H	α-helix	trans	-64.7	-44.8	176.4	-65	-87.8	-68.5	0	0	110.6	D38 L39 Y45 T46 V178 P313	D38-M42 WeakPolarHBondContact O-CB 3.21Å; D38-M42 WeakPolarHBondContact O-CG 3.38Å; D38-M42 PolarHBondContact O-N 2.94Å; L39-M42 CarbonylContact O-C 3.56Å; L39-M42 WeakPolarHBondContact O-CB 3.42Å; L39-M42 PolarHBondContact O-N 3.48Å; L39-M42 VanDerWaalsContact O-N 3.14Å; M42-Y45 CarbonylContact O-C 3.54Å; M42-Y45 PolarHBondContact O-N 3.15Å; M42-T46 WeakPolarHBondContact O-CB 3.3Å; M42-T46 WeakPolarHBondContact O-CG2 3.49Å; M42-T46 PolarHBondContact O-N 3.42Å; M42-T46 PolarHBondContact O-OG1 3.15Å; M42-V178 HydrophobicContact CE-CG1 4.03Å; M42-V178 HydrophobicContact CE-CG2 4.32Å; M42-V178 HydrophobicContact SD-CB 4.43Å; M42-V178 HydrophobicContact SD-CG1 3.58Å; M42-V178 VanDerWaalsContact SD-CG1 3.58Å; M42-V178 HydrophobicContact SD-CG2 3.9Å; M42-P313 HydrophobicContact CE-CB 3.4Å; M42-P313 VanDerWaalsContact CE-CB 3.4Å; M42-P313 HydrophobicContact CE-CG 3.39Å
43	E	58.1	Low	60.3	Low	125 Å²	125	77.7 Å²	77.7	58%	0.584	42%	0.415	S	S	*	.	H	α-helix	trans	-64.5	-37.6	176.2	-76.5	177.2	-178	0	0	112.4	L39 A40 T46 M47	L39-E43 WeakPolarHBondContact O-CB 3.44Å; L39-E43 WeakPolarHBondContact O-CG 3.45Å; L39-E43 PolarHBondContact O-N 3.37Å; A40-E43 PolarHBondContact O-N 2.99Å; E43-T46 WeakPolarHBondContact CA-OG1 3.46Å; E43-T46 PolarHBondContact O-N 3.4Å; E43-T46 PolarHBondContact O-OG1 3.12Å; E43-M47 WeakPolarHBondContact O-CB 3.41Å; E43-M47 WeakPolarHBondContact O-CG 3.1Å; E43-M47 PolarHBondContact O-N 3.49Å
44	E	52.3	Low	61.6	Low	133 Å²	133	73.1 Å²	73.1	62%	0.621	39%	0.386	S	S	*	.	H	α-helix	trans	-70.4	-40.3	175	-172.5	173.8	-168.5	0	0	110	A40 Y41 T46 M47 A48	A40-E44 WeakPolarHBondContact O-CB 3.12Å; A40-E44 PolarHBondContact O-N 3.06Å; Y41-E44 PolarHBondContact O-N 3.16Å; E44-T46 VanDerWaalsContact C-N 3.3Å; E44-T46 PolarHBondContact O-N 3.08Å; E44-M47 PolarHBondContact O-N 3.4Å; E44-A48 WeakPolarHBondContact O-CA 3.28Å; E44-A48 WeakPolarHBondContact O-CB 3.42Å; E44-A48 PolarHBondContact O-N 3.18Å
45	Y	53.3	Low	62.8	Low	25 Å²	25	74.7 Å²	74.7	10%	0.098	40%	0.396	C	S	.	.	H	α-helix	trans	-67.7	-29.2	173.5	174.8	-109	0	0	0	112.9	Y41 M42 M284 L285 P288 K308	Y41-Y45 WeakPolarHBondContact O-CB 3.42Å; Y41-Y45 PolarHBondContact O-N 3.41Å; M42-Y45 CarbonylContact O-C 3.54Å; M42-Y45 PolarHBondContact O-N 3.15Å; Y45-M284 PolarHBondContact OH-O 2.86Å; Y45-L285 HydrophobicContact CD1-CD2 4.2Å; Y45-L285 HydrophobicContact CE1-CD2 3.36Å; Y45-L285 HydrophobicContact CE2-CB 4.45Å; Y45-L285 HydrophobicContact CE2-CD2 4.03Å; Y45-L285 VanDerWaalsContact CE2-O 3.27Å; Y45-L285 WeakPolarHBondContact CE2-O 3.49Å; Y45-L285 VanDerWaalsContact OH-CA 3.29Å; Y45-L285 WeakPolarHBondContact OH-CA 3.43Å; Y45-L285 WeakPolarHBondContact OH-CD2 3.29Å; Y45-P288 HydrophobicContact CE2-CG 4.44Å; Y45-K308 HydrophobicContact CE1-CD 3.9Å; Y45-K308 PolarHBondContact O-NZ 3.45Å; Y45-K308 WeakPolarHBondContact OH-CD 3.22Å; Y45-K308 WeakPolarHBondContact OH-CE 3.48Å; Y45-K308 PolarHBondContact OH-NZ 2.83Å
46	T	52.5	Low	63.7	Low	9 Å²	9	75.7 Å²	75.7	6%	0.055	40%	0.401	C	S	.	.	H	α-helix	trans	-77.9	-40.6	175.2	64.3	0	0	0	0	112.1	M42 E43 E44 R310 D311	M42-T46 WeakPolarHBondContact O-CB 3.3Å; M42-T46 WeakPolarHBondContact O-CG2 3.49Å; M42-T46 PolarHBondContact O-N 3.42Å; M42-T46 PolarHBondContact O-OG1 3.15Å; E43-T46 WeakPolarHBondContact CA-OG1 3.46Å; E43-T46 PolarHBondContact O-N 3.4Å; E43-T46 PolarHBondContact O-OG1 3.12Å; E44-T46 VanDerWaalsContact C-N 3.3Å; E44-T46 PolarHBondContact O-N 3.08Å; T46-R310 CarbonylContact C-O 3.58Å; T46-R310 WeakPolarHBondContact CA-O 3.5Å; T46-R310 WeakPolarHBondContact CB-O 3.35Å; T46-R310 WeakPolarHBondContact CG2-O 3.33Å; T46-R310 WeakPolarHBondContact O-CG 3.47Å; T46-D311 WeakPolarHBondContact CB-OD1 3.27Å; T46-D311 PolarHBondContact OG1-OD1 3.4Å
47	M	46.9	Very low	64.9	Low	103 Å²	103	76.6 Å²	76.6	51%	0.507	40%	0.395	S	S	.	.	H	α-helix	trans	-86.4	-24.8	-177.1	-72	-64.3	-62.5	0	0	113.8	E43 E44 E49 R310	E43-M47 WeakPolarHBondContact O-CB 3.41Å; E43-M47 WeakPolarHBondContact O-CG 3.1Å; E43-M47 PolarHBondContact O-N 3.49Å; E44-M47 PolarHBondContact O-N 3.4Å; M47-E49 PolarHBondContact O-N 2.83Å; M47-R310 VanDerWaalsContact CE-NH2 3.33Å; M47-R310 PolarHBondContact SD-NE 3.06Å; M47-R310 VanDerWaalsContact SD-NE 3.43Å
48	A	43.9	Very low	66.1	Low	31 Å²	31	71.9 Å²	71.9	26%	0.256	37%	0.374	S	S	.	.			trans	-97.4	89.4	177.4	0	0	0	0	0	110.1	E44 R50	E44-A48 WeakPolarHBondContact O-CA 3.28Å; E44-A48 WeakPolarHBondContact O-CB 3.42Å; E44-A48 PolarHBondContact O-N 3.18Å; A48-R50 HydrophobicContact CB-CB 4.01Å; A48-R50 HydrophobicContact CB-CG 4.01Å; A48-R50 PolarHBondContact O-N 2.75Å
49	E	52.4	Low	67.6	Low	130 Å²	130	71.2 Å²	71.2	61%	0.607	37%	0.37	S	S	*	.			trans	-60.3	15.5	149.4	-62.4	175.8	133.5	0	0	112.3	M47 V51	M47-E49 PolarHBondContact O-N 2.83Å; E49-V51 PolarHBondContact O-N 3.22Å
50	R	50.6	Low	69	Low	212 Å²	212	68.4 Å²	68.4	80%	0.8	36%	0.355	S	S	*	.	S	Bend	trans	-68.2	110.5	171	-66.6	-176.1	177	-173.3	0.2	106	A48 S52	A48-R50 HydrophobicContact CB-CB 4.01Å; A48-R50 HydrophobicContact CB-CG 4.01Å; A48-R50 PolarHBondContact O-N 2.75Å; R50-S52 PolarHBondContact O-N 2.61Å
51	V	54.3	Low	70.6	Confident	116 Å²	116	71.4 Å²	71.4	70%	0.703	36%	0.361	S	S	*	.			trans	-25	110.1	165.8	-179	0	0	0	0	108.4	E49 A53	E49-V51 PolarHBondContact O-N 3.22Å; V51-A53 PolarHBondContact O-N 2.81Å
52	S	63	Low	72.4	Confident	20 Å²	20	69.1 Å²	69.1	14%	0.14	35%	0.353	C	S	.	.			trans	-46.4	140.3	177.4	-178.6	0	0	0	0	108.4	R50 V54 A286	R50-S52 PolarHBondContact O-N 2.61Å; S52-V54 PolarHBondContact O-N 2.94Å; S52-V54 WeakPolarHBondContact OG-CG2 3.43Å; S52-V54 PolarHBondContact OG-N 3.43Å; S52-A286 WeakPolarHBondContact CB-O 3.48Å
53	A	78	Confident	74.2	Confident	92 Å²	92	68.2 Å²	68.2	76%	0.76	35%	0.348	S	S	*	.	S	Bend	trans	-61	-4	174.5	0	0	0	0	0	112.8	V51 T55	V51-A53 PolarHBondContact O-N 2.81Å; A53-T55 PolarHBondContact O-N 3.19Å
54	V	89.1	Confident	76.1	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.012	34%	0.341	C	S	.	.			trans	-68.3	117.9	169	175.8	0	0	0	0	110.6	S52 E58 I59 F161 K165 L167 A286 K287	S52-V54 PolarHBondContact O-N 2.94Å; S52-V54 WeakPolarHBondContact OG-CG2 3.43Å; S52-V54 PolarHBondContact OG-N 3.43Å; V54-E58 WeakPolarHBondContact CA-OE2 3.37Å; V54-E58 HydrophobicContact CG1-CB 4.34Å; V54-I59 HydrophobicContact CG1-CD1 3.96Å; V54-I59 HydrophobicContact CG1-CG1 3.47Å; V54-I59 VanDerWaalsContact CG1-CG1 3.47Å; V54-F161 HydrophobicContact CG1-CE1 4.06Å; V54-F161 HydrophobicContact CG1-CZ 3.85Å; V54-F161 HydrophobicContact CG2-CE1 3.95Å; V54-F161 HydrophobicContact CG2-CZ 4.08Å; V54-K165 HydrophobicContact CG2-CB 4.24Å; V54-K165 HydrophobicContact CG2-CD 3.81Å; V54-K165 HydrophobicContact CG2-CG 3.84Å; V54-L167 HydrophobicContact CG2-CD1 3.71Å; V54-A286 HydrophobicContact CB-CB 4.12Å; V54-A286 HydrophobicContact CG1-CB 3.95Å; V54-K287 WeakPolarHBondContact O-CE 3.47Å; V54-K287 PolarHBondContact O-NZ 3.01Å
55	T	91.9	Very high	78.3	Confident	57 Å²	57	65.5 Å²	65.5	35%	0.35	33%	0.333	S	S	.	.			trans	-83	162	176.5	83.8	0	0	0	0	111.6	A53 E57 E58 I59	A53-T55 PolarHBondContact O-N 3.19Å; T55-E57 WeakPolarHBondContact CB-OE2 3.4Å; T55-E57 PolarHBondContact O-N 2.97Å; T55-E57 PolarHBondContact OG1-N 2.77Å; T55-E57 PolarHBondContact OG1-OE2 3.3Å; T55-E58 PolarHBondContact N-OE2 2.88Å; T55-E58 PolarHBondContact O-N 2.83Å; T55-E58 VanDerWaalsContact O-N 3.16Å; T55-E58 PolarHBondContact OG1-N 3.41Å; T55-I59 WeakPolarHBondContact O-CG1 3.21Å; T55-I59 PolarHBondContact O-N 3.48Å; T55-I59 VanDerWaalsContact O-N 3.12Å
56	D	91.8	Very high	80.4	Confident	54 Å²	54	64.3 Å²	64.3	29%	0.289	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-32	177.2	-69	4.1	0	0	0	111.2	I59 D60 K287 R294	D56-I59 PolarHBondContact O-N 2.73Å; D56-D60 WeakPolarHBondContact O-CB 3.04Å; D56-D60 PolarHBondContact O-N 2.76Å; D56-K287 VanDerWaalsContact OD1-CE 3.29Å; D56-K287 WeakPolarHBondContact OD1-CE 3.45Å; D56-K287 IonicContact OD1-NZ 3.62Å; D56-R294 HydrophobicContact CB-CB 4.49Å
57	E	95.1	Very high	82.6	Confident	127 Å²	127	65.1 Å²	65.1	59%	0.593	33%	0.33	S	S	*	.	H	α-helix	trans	-63.6	-40.6	174	-61	72.5	-157.6	0	0	111.6	T55 D60 E61	T55-E57 WeakPolarHBondContact CB-OE2 3.4Å; T55-E57 PolarHBondContact O-N 2.97Å; T55-E57 PolarHBondContact OG1-N 2.77Å; T55-E57 PolarHBondContact OG1-OE2 3.3Å; E57-D60 PolarHBondContact O-N 3.37Å; E57-E61 WeakPolarHBondContact O-CB 3.09Å; E57-E61 WeakPolarHBondContact O-CG 3.36Å; E57-E61 PolarHBondContact O-N 3.14Å
58	E	96.7	Very high	85	Confident	55 Å²	55	67.4 Å²	67.4	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-69.4	-37.3	178.6	-64.7	-175.3	119.2	0	0	112.2	V54 T55 L62 F161 K165	V54-E58 WeakPolarHBondContact CA-OE2 3.37Å; V54-E58 HydrophobicContact CG1-CB 4.34Å; T55-E58 PolarHBondContact N-OE2 2.88Å; T55-E58 PolarHBondContact O-N 2.83Å; T55-E58 VanDerWaalsContact O-N 3.16Å; T55-E58 PolarHBondContact OG1-N 3.41Å; E58-L62 WeakPolarHBondContact O-CB 3.35Å; E58-L62 PolarHBondContact O-N 2.84Å; E58-L62 VanDerWaalsContact O-N 3.12Å; E58-F161 HydrophobicContact CB-CE2 4.15Å; E58-F161 HydrophobicContact CB-CZ 4.04Å; E58-K165 VanDerWaalsContact OE1-CE 3.23Å; E58-K165 WeakPolarHBondContact OE1-CE 3.14Å; E58-K165 IonicContact OE1-NZ 2.68Å; E58-K165 PolarHBondContact OE1-NZ 3.45Å; E58-K165 WeakPolarHBondContact OE2-CE 3.46Å; E58-K165 IonicContact OE2-NZ 2.85Å; E58-K165 PolarHBondContact OE2-NZ 2.84Å
59	I	96.3	Very high	87.6	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.2	-51.8	171.8	-64.8	169.6	0	0	0	109.1	V54 T55 D56 E61 L62 V63 L282 A286 K287 F295	V54-I59 HydrophobicContact CG1-CD1 3.96Å; V54-I59 HydrophobicContact CG1-CG1 3.47Å; V54-I59 VanDerWaalsContact CG1-CG1 3.47Å; T55-I59 WeakPolarHBondContact O-CG1 3.21Å; T55-I59 PolarHBondContact O-N 3.48Å; T55-I59 VanDerWaalsContact O-N 3.12Å; D56-I59 PolarHBondContact O-N 2.73Å; I59-E61 PolarHBondContact O-N 2.76Å; I59-L62 PolarHBondContact O-N 3.4Å; I59-L62 VanDerWaalsContact O-N 3.15Å; I59-V63 HydrophobicContact CG2-CG2 4.12Å; I59-V63 WeakPolarHBondContact O-CB 3.48Å; I59-V63 VanDerWaalsContact O-CG2 3.3Å; I59-V63 WeakPolarHBondContact O-CG2 3.46Å; I59-V63 PolarHBondContact O-N 2.79Å; I59-L282 HydrophobicContact CG2-CD2 4.17Å; I59-A286 HydrophobicContact CD1-CB 3.98Å; I59-A286 HydrophobicContact CG1-CB 4.39Å; I59-K287 HydrophobicContact CD1-CG 3.88Å; I59-F295 HydrophobicContact CG2-CB 4.29Å
60	D	96.8	Very high	89.8	Confident	20 Å²	20	60.7 Å²	60.7	11%	0.107	31%	0.306	C	S	.	.	H	α-helix	trans	-58.7	-44.2	-178.5	-175.4	70.8	0	0	0	112.4	D56 E57 L62 V63 K64 H296	D56-D60 WeakPolarHBondContact O-CB 3.04Å; D56-D60 PolarHBondContact O-N 2.76Å; E57-D60 PolarHBondContact O-N 3.37Å; D60-L62 PolarHBondContact O-N 3Å; D60-V63 PolarHBondContact O-N 2.94Å; D60-K64 WeakPolarHBondContact O-CB 3.1Å; D60-K64 VanDerWaalsContact O-CG 3.28Å; D60-K64 WeakPolarHBondContact O-CG 3.35Å; D60-K64 PolarHBondContact O-N 3.3Å; D60-K64 IonicContact OD1-NZ 2.61Å; D60-K64 WeakPolarHBondContact OD2-CE 3.2Å; D60-K64 IonicContact OD2-NZ 3.45Å; D60-K64 PolarHBondContact OD2-NZ 3.34Å; D60-H296 WeakPolarHBondContact OD1-CB 3.44Å; D60-H296 IonicContact OD1-CE1 2.59Å; D60-H296 IonicContact OD1-CG 2.75Å; D60-H296 PolarHBondContact OD1-N 3.17Å; D60-H296 IonicContact OD1-ND1 3.98Å; D60-H296 PolarHBondContact OD1-ND1 3.29Å; D60-H296 IonicContact OD2-ND1 3.88Å
61	E	97.8	Very high	92	Very high	112 Å²	112	57.3 Å²	57.3	52%	0.523	30%	0.302	S	S	.	.	H	α-helix	trans	-61.4	-42.8	175	-78.6	-174.8	-177.9	0	0	112.6	E57 I59 K65	E57-E61 WeakPolarHBondContact O-CB 3.09Å; E57-E61 WeakPolarHBondContact O-CG 3.36Å; E57-E61 PolarHBondContact O-N 3.14Å; I59-E61 PolarHBondContact O-N 2.76Å; E61-K65 WeakPolarHBondContact O-CG 2.76Å; E61-K65 PolarHBondContact O-N 2.97Å
62	L	98.4	Very high	94	Very high	9 Å²	9	53.7 Å²	53.7	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-45.8	177.6	176.7	61.3	0	0	0	111.1	E58 I59 D60 K64 K65 M66 L157 F161 L282	E58-L62 WeakPolarHBondContact O-CB 3.35Å; E58-L62 PolarHBondContact O-N 2.84Å; E58-L62 VanDerWaalsContact O-N 3.12Å; I59-L62 PolarHBondContact O-N 3.4Å; I59-L62 VanDerWaalsContact O-N 3.15Å; D60-L62 PolarHBondContact O-N 3Å; L62-K64 VanDerWaalsContact C-N 3.29Å; L62-K64 PolarHBondContact O-N 3.18Å; L62-K65 WeakPolarHBondContact O-CB 3.01Å; L62-K65 PolarHBondContact O-N 2.79Å; L62-K65 VanDerWaalsContact O-N 3.08Å; L62-M66 HydrophobicContact CD1-CG 4.16Å; L62-M66 HydrophobicContact CG-CE 4.17Å; L62-M66 HydrophobicContact CG-CG 4.33Å; L62-M66 HydrophobicContact CG-SD 4.32Å; L62-M66 WeakPolarHBondContact O-CG 3.08Å; L62-M66 PolarHBondContact O-N 3.33Å; L62-L157 HydrophobicContact CD1-CB 3.98Å; L62-F161 HydrophobicContact CD1-CB 4.25Å; L62-F161 HydrophobicContact CD2-CB 3.62Å; L62-F161 HydrophobicContact CD2-CD1 3.65Å; L62-F161 HydrophobicContact CD2-CD2 4Å; L62-F161 HydrophobicContact CD2-CE1 4.26Å; L62-F161 HydrophobicContact CD2-CG 3.5Å; L62-L282 HydrophobicContact CD2-CD1 3.83Å; L62-L282 HydrophobicContact CD2-CD2 3.6Å; L62-L282 HydrophobicContact CD2-CG 4.29Å; L62-L282 HydrophobicContact CG-CD2 4.25Å
63	V	98.4	Very high	95.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-39.5	179.1	173.4	0	0	0	0	110.9	I59 D60 K65 M66 R67 F275 L279 L282 F295 I297	I59-V63 HydrophobicContact CG2-CG2 4.12Å; I59-V63 WeakPolarHBondContact O-CB 3.48Å; I59-V63 VanDerWaalsContact O-CG2 3.3Å; I59-V63 WeakPolarHBondContact O-CG2 3.46Å; I59-V63 PolarHBondContact O-N 2.79Å; D60-V63 PolarHBondContact O-N 2.94Å; V63-K65 PolarHBondContact O-N 2.74Å; V63-M66 HydrophobicContact CB-CE 4.38Å; V63-M66 HydrophobicContact CG2-CE 3.84Å; V63-M66 PolarHBondContact O-N 2.81Å; V63-R67 VanDerWaalsContact O-CB 3.26Å; V63-R67 WeakPolarHBondContact O-CB 3.38Å; V63-R67 PolarHBondContact O-N 2.8Å; V63-F275 HydrophobicContact CG1-CZ 4.14Å; V63-L279 HydrophobicContact CG2-CD1 3.65Å; V63-L282 HydrophobicContact CG2-CD2 4.13Å; V63-F295 HydrophobicContact CB-CB 4.03Å; V63-F295 HydrophobicContact CB-CG 4.41Å; V63-F295 HydrophobicContact CG1-CB 4.07Å; V63-F295 HydrophobicContact CG1-CD2 3.66Å; V63-F295 HydrophobicContact CG1-CE2 4.39Å; V63-F295 HydrophobicContact CG1-CG 4.03Å; V63-F295 HydrophobicContact CG2-CB 3.93Å; V63-F295 HydrophobicContact CG2-CG 4.13Å; V63-I297 HydrophobicContact CG1-CD1 4.2Å; V63-I297 HydrophobicContact CG1-CG1 3.92Å
64	K	98.1	Very high	96.5	Very high	98 Å²	98	53 Å²	53	43%	0.426	26%	0.256	S	S	.	.	H	α-helix	trans	-60.8	-41.8	172.6	-76.6	167.9	176.6	168.5	0	112.6	D60 L62 R67 Q68	D60-K64 WeakPolarHBondContact O-CB 3.1Å; D60-K64 VanDerWaalsContact O-CG 3.28Å; D60-K64 WeakPolarHBondContact O-CG 3.35Å; D60-K64 PolarHBondContact O-N 3.3Å; D60-K64 IonicContact OD1-NZ 2.61Å; D60-K64 WeakPolarHBondContact OD2-CE 3.2Å; D60-K64 IonicContact OD2-NZ 3.45Å; D60-K64 PolarHBondContact OD2-NZ 3.34Å; L62-K64 VanDerWaalsContact C-N 3.29Å; L62-K64 PolarHBondContact O-N 3.18Å; K64-R67 PolarHBondContact O-N 3.26Å; K64-Q68 WeakPolarHBondContact O-CG 2.96Å; K64-Q68 PolarHBondContact O-N 3.35Å
65	K	98.5	Very high	96.7	Very high	104 Å²	104	55.7 Å²	55.7	45%	0.452	28%	0.275	S	S	.	.	H	α-helix	trans	-66.8	-46.2	176	-70.8	169.4	-175	165.6	0	111.6	E61 L62 V63 R67 Q68 A69 L157	E61-K65 WeakPolarHBondContact O-CG 2.76Å; E61-K65 PolarHBondContact O-N 2.97Å; L62-K65 WeakPolarHBondContact O-CB 3.01Å; L62-K65 PolarHBondContact O-N 2.79Å; L62-K65 VanDerWaalsContact O-N 3.08Å; V63-K65 PolarHBondContact O-N 2.74Å; K65-R67 VanDerWaalsContact C-N 3.29Å; K65-R67 PolarHBondContact O-N 3.08Å; K65-Q68 PolarHBondContact O-N 2.63Å; K65-Q68 VanDerWaalsContact O-N 3.11Å; K65-A69 WeakPolarHBondContact O-CB 3.48Å; K65-A69 PolarHBondContact O-N 3.43Å; K65-L157 HydrophobicContact CB-CD1 4.02Å; K65-L157 HydrophobicContact CB-CD2 4.45Å
66	M	98.7	Very high	96.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-42.9	174.6	-70.4	-168.6	-57.8	0	0	110.8	L62 V63 Q68 A69 D70 V154 L157 M158 F275 L282	L62-M66 HydrophobicContact CD1-CG 4.16Å; L62-M66 HydrophobicContact CG-CE 4.17Å; L62-M66 HydrophobicContact CG-CG 4.33Å; L62-M66 HydrophobicContact CG-SD 4.32Å; L62-M66 WeakPolarHBondContact O-CG 3.08Å; L62-M66 PolarHBondContact O-N 3.33Å; V63-M66 HydrophobicContact CB-CE 4.38Å; V63-M66 HydrophobicContact CG2-CE 3.84Å; V63-M66 PolarHBondContact O-N 2.81Å; M66-Q68 VanDerWaalsContact C-N 3.29Å; M66-Q68 PolarHBondContact O-N 2.84Å; M66-A69 CarbonylContact O-C 3.4Å; M66-A69 PolarHBondContact O-N 3.44Å; M66-A69 VanDerWaalsContact O-N 3.13Å; M66-D70 WeakPolarHBondContact O-CB 3.27Å; M66-D70 PolarHBondContact O-N 3.37Å; M66-V154 HydrophobicContact CB-CG1 4.15Å; M66-V154 HydrophobicContact CG-CG1 4.24Å; M66-V154 HydrophobicContact SD-CG1 4.26Å; M66-L157 HydrophobicContact CG-CB 4.15Å; M66-L157 HydrophobicContact CG-CD1 4.33Å; M66-M158 HydrophobicContact SD-CB 3.92Å; M66-F275 HydrophobicContact CB-CD2 4.08Å; M66-F275 HydrophobicContact CB-CE2 3.87Å; M66-L282 HydrophobicContact CE-CD2 4.09Å
67	R	97.8	Very high	96.6	Very high	26 Å²	26	65.8 Å²	65.8	10%	0.098	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-35.1	176.6	-178.5	60.1	172.1	178.9	-5.5	111.9	V63 K64 K65 D70 R73 F275 I297 D298	V63-R67 VanDerWaalsContact O-CB 3.26Å; V63-R67 WeakPolarHBondContact O-CB 3.38Å; V63-R67 PolarHBondContact O-N 2.8Å; K64-R67 PolarHBondContact O-N 3.26Å; K65-R67 VanDerWaalsContact C-N 3.29Å; K65-R67 PolarHBondContact O-N 3.08Å; R67-D70 IonicContact NH1-OD2 2.84Å; R67-R73 VanDerWaalsContact NH1-CD 3.26Å; R67-R73 PolarHBondContact O-NH1 3.08Å; R67-F275 HydrophobicContact CB-CE2 4.1Å; R67-I297 HydrophobicContact CG-CG2 4.02Å; R67-D298 IonicContact CZ-OD2 2.96Å; R67-D298 IonicContact NE-OD1 3.99Å; R67-D298 IonicContact NE-OD2 2.72Å; R67-D298 IonicContact NH2-OD2 3.53Å; R67-D298 PolarHBondContact NH2-OD2 3.32Å
68	Q	97.8	Very high	96.6	Very high	151 Å²	151	60.8 Å²	60.8	71%	0.706	29%	0.291	S	S	*	.	H	α-helix	trans	-71.2	-37.9	174.2	-71.8	171.8	2.2	0	0	112.1	K64 K65 M66 D70	K64-Q68 WeakPolarHBondContact O-CG 2.96Å; K64-Q68 PolarHBondContact O-N 3.35Å; K65-Q68 PolarHBondContact O-N 2.63Å; K65-Q68 VanDerWaalsContact O-N 3.11Å; M66-Q68 VanDerWaalsContact C-N 3.29Å; M66-Q68 PolarHBondContact O-N 2.84Å; Q68-D70 VanDerWaalsContact C-N 3.34Å
69	A	98.5	Very high	96.6	Very high	19 Å²	19	58.6 Å²	58.6	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-77.9	-14	179.4	0	0	0	0	0	114.4	K65 M66 I71 D153 V154 L157	K65-A69 WeakPolarHBondContact O-CB 3.48Å; K65-A69 PolarHBondContact O-N 3.43Å; M66-A69 CarbonylContact O-C 3.4Å; M66-A69 PolarHBondContact O-N 3.44Å; M66-A69 VanDerWaalsContact O-N 3.13Å; A69-I71 PolarHBondContact O-N 3.48Å; A69-D153 HydrophobicContact CB-CB 3.86Å; A69-V154 HydrophobicContact CB-CG2 4.01Å; A69-L157 HydrophobicContact CB-CD1 3.79Å
70	D	98.1	Very high	96.6	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.308	C	S	.	.			trans	-72.6	72.5	179.1	-175.1	7.6	0	0	0	111.4	M66 R67 Q68 N72 R73 V154 S272 F275	M66-D70 WeakPolarHBondContact O-CB 3.27Å; M66-D70 PolarHBondContact O-N 3.37Å; R67-D70 IonicContact NH1-OD2 2.84Å; Q68-D70 VanDerWaalsContact C-N 3.34Å; D70-N72 VanDerWaalsContact C-N 3.28Å; D70-N72 PolarHBondContact O-N 3.25Å; D70-R73 VanDerWaalsContact O-CG 3.25Å; D70-R73 WeakPolarHBondContact O-CG 3.27Å; D70-R73 PolarHBondContact O-N 3.03Å; D70-R73 PolarHBondContact O-NH1 3Å; D70-R73 PolarHBondContact OD1-N 2.88Å; D70-R73 WeakPolarHBondContact OD2-CB 3.48Å; D70-V154 HydrophobicContact CB-CG2 3.97Å; D70-S272 VanDerWaalsContact CG-OG 3.23Å; D70-S272 WeakPolarHBondContact OD1-CB 3.29Å; D70-S272 PolarHBondContact OD1-OG 3.28Å; D70-S272 PolarHBondContact OD2-N 3.21Å; D70-F275 HydrophobicContact CB-CB 4.44Å; D70-F275 HydrophobicContact CB-CD2 4.09Å; D70-F275 WeakPolarHBondContact OD2-CB 3.24Å
71	I	97.1	Very high	96.6	Very high	141 Å²	141	64.6 Å²	64.6	72%	0.723	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-21	-177.2	62.5	171.3	0	0	0	113.1	A69	A69-I71 PolarHBondContact O-N 3.48Å
72	N	97.1	Very high	96.6	Very high	40 Å²	40	61.7 Å²	61.7	21%	0.214	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-2.8	179.2	-67.7	-42.2	0	0	0	112.6	D70 Y114 E274	D70-N72 VanDerWaalsContact C-N 3.28Å; D70-N72 PolarHBondContact O-N 3.25Å; N72-Y114 HydrophobicContact CB-CE2 4.48Å; N72-Y114 WeakPolarHBondContact O-CE2 3.47Å; N72-Y114 PolarHBondContact O-OH 3.48Å; N72-E274 WeakPolarHBondContact CB-OE1 3.03Å; N72-E274 PolarHBondContact ND2-OE1 3.19Å
73	R	96.7	Very high	96.5	Very high	85 Å²	85	63 Å²	63	32%	0.321	30%	0.3	S	S	.	.	S	Bend	trans	-58.4	152.1	175.1	76.2	177.5	172.1	-99.3	15.6	112.6	R67 D70 G270	R67-R73 VanDerWaalsContact NH1-CD 3.26Å; R67-R73 PolarHBondContact O-NH1 3.08Å; D70-R73 VanDerWaalsContact O-CG 3.25Å; D70-R73 WeakPolarHBondContact O-CG 3.27Å; D70-R73 PolarHBondContact O-N 3.03Å; D70-R73 PolarHBondContact O-NH1 3Å; D70-R73 PolarHBondContact OD1-N 2.88Å; D70-R73 WeakPolarHBondContact OD2-CB 3.48Å; R73-G270 CarbonylContact C-O 3.58Å; R73-G270 WeakPolarHBondContact CA-O 3.39Å; R73-G270 WeakPolarHBondContact CB-O 3.39Å
74	A	96.1	Very high	96.5	Very high	12 Å²	12	65 Å²	65	10%	0.099	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-63.6	137.6	167.1	0	0	0	0	0	111	D78 I79 L108 G270	A74-D78 HydrophobicContact CB-CB 4.02Å; A74-I79 HydrophobicContact CB-CD1 3.55Å; A74-I79 HydrophobicContact CB-CG1 3.93Å; A74-L108 HydrophobicContact CB-CD1 3.66Å; A74-G270 PolarHBondContact N-O 3.06Å
75	S	92.9	Very high	96.5	Very high	60 Å²	60	64.9 Å²	64.9	42%	0.42	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-75.2	166.8	164	77.4	0	0	0	0	110.8	E77 D78	S75-E77 PolarHBondContact O-N 2.04Å; S75-E77 VanDerWaalsContact O-N 3.11Å; S75-E77 PolarHBondContact OG-N 3.36Å; S75-D78 WeakPolarHBondContact CA-OD2 3.37Å; S75-D78 WeakPolarHBondContact CB-OD2 3.39Å; S75-D78 PolarHBondContact N-OD2 3.03Å; S75-D78 PolarHBondContact O-N 2.96Å; S75-D78 VanDerWaalsContact OG-CG 3.23Å; S75-D78 PolarHBondContact OG-OD2 2.87Å
76	K	88.5	Confident	96.4	Very high	184 Å²	184	64.7 Å²	64.7	80%	0.8	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.1	177.8	-66.5	-173.9	178.3	-175.2	0	113.5
77	E	92.8	Very high	96.3	Very high	139 Å²	139	65 Å²	65	65%	0.65	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-11.4	-179.7	-61.5	-54.3	140.8	0	0	113.3	S75 R103	S75-E77 PolarHBondContact O-N 2.04Å; S75-E77 VanDerWaalsContact O-N 3.11Å; S75-E77 PolarHBondContact OG-N 3.36Å; E77-R103 PolarHBondContact O-NH1 2.9Å; E77-R103 PolarHBondContact O-NH2 3.38Å
78	D	95.9	Very high	96.1	Very high	22 Å²	22	66.9 Å²	66.9	12%	0.118	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-29.3	-178.4	-69.1	-49.5	0	0	0	112.1	A74 S75 I104 N105 L108	A74-D78 HydrophobicContact CB-CB 4.02Å; S75-D78 WeakPolarHBondContact CA-OD2 3.37Å; S75-D78 WeakPolarHBondContact CB-OD2 3.39Å; S75-D78 PolarHBondContact N-OD2 3.03Å; S75-D78 PolarHBondContact O-N 2.96Å; S75-D78 VanDerWaalsContact OG-CG 3.23Å; S75-D78 PolarHBondContact OG-OD2 2.87Å; D78-I104 CarbonylContact O-C 3.58Å; D78-I104 WeakPolarHBondContact O-CA 3.46Å; D78-N105 HydrophobicContact CB-CB 3.89Å; D78-N105 PolarHBondContact O-N 2.81Å; D78-N105 WeakPolarHBondContact OD1-CB 3.29Å; D78-N105 PolarHBondContact OD1-ND2 2.83Å; D78-L108 HydrophobicContact CB-CD1 3.83Å; D78-L108 HydrophobicContact CB-CG 4.41Å
79	I	96.4	Very high	95.6	Very high	9 Å²	9	63.9 Å²	63.9	5%	0.046	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.1	-176.9	-59.9	175.1	0	0	0	110.4	A74 L81 F101 I104 W225 V269	A74-I79 HydrophobicContact CB-CD1 3.55Å; A74-I79 HydrophobicContact CB-CG1 3.93Å; I79-L81 HydrophobicContact CG2-CD2 3.86Å; I79-L81 HydrophobicContact CG2-CG 4.13Å; I79-F101 HydrophobicContact CG2-CD1 3.95Å; I79-F101 HydrophobicContact CG2-CE1 3.95Å; I79-I104 HydrophobicContact CG1-CG1 4.5Å; I79-I104 HydrophobicContact CG1-CG2 4.35Å; I79-W225 HydrophobicContact CD1-CE3 4.21Å; I79-W225 HydrophobicContact CD1-CH2 3.84Å; I79-W225 HydrophobicContact CD1-CZ2 4.24Å; I79-W225 HydrophobicContact CD1-CZ3 3.84Å; I79-V269 HydrophobicContact CD1-CG1 4.01Å; I79-V269 HydrophobicContact CG2-CG1 4.01Å
80	K	96.2	Very high	95.1	Very high	129 Å²	129	70 Å²	70	56%	0.561	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	115.9	168.5	-174.1	177.1	-179.1	175.5	0	109.8	A102 R103	K80-A102 HydrophobicContact CG-CB 4.49Å; K80-A102 WeakPolarHBondContact O-CB 3.49Å; K80-A102 PolarHBondContact O-N 3.08Å; K80-R103 HydrophobicContact CB-CB 4.06Å; K80-R103 PolarHBondContact N-O 2.96Å; K80-R103 PolarHBondContact O-N 3.43Å
81	L	97.2	Very high	94.6	Very high	17 Å²	17	72.8 Å²	72.8	9%	0.089	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	149.3	174.3	-58.7	179.1	0	0	0	111.5	I79 Y83 L100 F101 V251 V269	I79-L81 HydrophobicContact CG2-CD2 3.86Å; I79-L81 HydrophobicContact CG2-CG 4.13Å; L81-Y83 HydrophobicContact CB-CE1 4.2Å; L81-Y83 HydrophobicContact CB-CE2 4.24Å; L81-Y83 HydrophobicContact CD1-CE1 3.9Å; L81-Y83 WeakPolarHBondContact CD1-OH 3.05Å; L81-L100 CarbonylContact C-O 3.54Å; L81-L100 VanDerWaalsContact CA-O 3.31Å; L81-L100 WeakPolarHBondContact CA-O 3.27Å; L81-L100 HydrophobicContact CB-CD1 4.38Å; L81-L100 HydrophobicContact CD2-CD1 4.42Å; L81-L100 HydrophobicContact CD2-CG 4.18Å; L81-F101 HydrophobicContact CD2-CD1 3.45Å; L81-F101 VanDerWaalsContact CD2-CD1 3.45Å; L81-F101 HydrophobicContact CD2-CE1 3.46Å; L81-F101 VanDerWaalsContact CD2-CE1 3.46Å; L81-F101 HydrophobicContact CD2-CG 4.08Å; L81-F101 HydrophobicContact CD2-CZ 4.02Å; L81-V251 HydrophobicContact CD1-CG1 4.05Å; L81-V269 HydrophobicContact CD1-CG1 4.12Å; L81-V269 HydrophobicContact CD1-CG2 4.24Å; L81-V269 HydrophobicContact CD2-CG1 4.41Å
82	N	97.2	Very high	94	Very high	50 Å²	50	71.1 Å²	71.1	27%	0.267	35%	0.35	S	S	.	.			trans	-123	83.1	175.1	169.5	43.6	0	0	0	108.5	Q84 K98 P99 L100 A102	N82-Q84 PolarHBondContact ND2-NE2 2.92Å; N82-Q84 PolarHBondContact O-N 3.27Å; N82-Q84 PolarHBondContact O-NE2 3.41Å; N82-Q84 WeakPolarHBondContact OD1-CG 3.3Å; N82-K98 WeakPolarHBondContact ND2-CB 3.24Å; N82-P99 PolarHBondContact ND2-O 3.21Å; N82-L100 PolarHBondContact N-O 3.26Å; N82-A102 HydrophobicContact CB-CB 3.87Å
83	Y	97.3	Very high	93.8	Very high	38 Å²	38	74 Å²	74	15%	0.149	37%	0.365	C	S	.	.			trans	-59.6	-31	-174.7	-69	-60.2	0	0	0	114.4	L81 N85 L100 Y239 Y242 K245 D247 V251	L81-Y83 HydrophobicContact CB-CE1 4.2Å; L81-Y83 HydrophobicContact CB-CE2 4.24Å; L81-Y83 HydrophobicContact CD1-CE1 3.9Å; L81-Y83 WeakPolarHBondContact CD1-OH 3.05Å; Y83-N85 PolarHBondContact O-N 3.41Å; Y83-L100 HydrophobicContact CD1-CD1 4.17Å; Y83-L100 HydrophobicContact CE1-CD1 4.44Å; Y83-Y239 WeakPolarHBondContact O-CE1 3.48Å; Y83-Y239 PolarHBondContact O-OH 2.84Å; Y83-Y242 WeakPolarHBondContact O-CD1 3.16Å; Y83-K245 HydrophobicContact CD1-CD 3.63Å; Y83-K245 HydrophobicContact CD2-CD 3.83Å; Y83-K245 HydrophobicContact CE1-CB 4.11Å; Y83-K245 HydrophobicContact CE1-CD 3.67Å; Y83-K245 HydrophobicContact CE2-CD 3.84Å; Y83-K245 HydrophobicContact CG-CD 3.73Å; Y83-D247 PolarHBondContact OH-O 2.86Å; Y83-V251 HydrophobicContact CE1-CG1 3.68Å
84	Q	97.4	Very high	93.8	Very high	42 Å²	42	72.7 Å²	72.7	20%	0.196	36%	0.364	C	S	.	.			trans	54.9	-122.1	-174.2	-61.6	169.5	89.5	0	0	110.7	N82 A96 P97 K98	N82-Q84 PolarHBondContact ND2-NE2 2.92Å; N82-Q84 PolarHBondContact O-N 3.27Å; N82-Q84 PolarHBondContact O-NE2 3.41Å; N82-Q84 WeakPolarHBondContact OD1-CG 3.3Å; Q84-A96 HydrophobicContact CB-CB 3.86Å; Q84-A96 VanDerWaalsContact CD-CA 3.48Å; Q84-A96 HydrophobicContact CG-CB 4.4Å; Q84-A96 PolarHBondContact NE2-O 3.05Å; Q84-A96 PolarHBondContact OE1-O 2.9Å; Q84-P97 VanDerWaalsContact OE1-CD 3.26Å; Q84-K98 PolarHBondContact NE2-O 3.43Å
85	N	98	Very high	93.9	Very high	95 Å²	95	75.3 Å²	75.3	51%	0.508	37%	0.373	S	S	.	.			trans	-113	154.8	-170.7	-57.1	-66	0	0	0	112.7	Y83 K95 G241 Y242	Y83-N85 PolarHBondContact O-N 3.41Å; N85-K95 HydrophobicContact CB-CB 3.97Å; N85-K95 WeakPolarHBondContact CB-O 3.5Å; N85-K95 PolarHBondContact ND2-O 2.83Å; N85-G241 WeakPolarHBondContact O-CA 3.47Å; N85-Y242 VanDerWaalsContact C-CE1 3.48Å; N85-Y242 WeakPolarHBondContact O-CD1 3.23Å; N85-Y242 PolarHBondContact O-N 2.77Å
86	L	97.4	Very high	94.1	Very high	99 Å²	99	72.4 Å²	72.4	52%	0.518	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-67.4	138.9	173.1	-175.4	74.2	0	0	0	110.2	Y242 I243	L86-Y242 CarbonylContact C-O 3.47Å; L86-Y242 WeakPolarHBondContact CA-O 3.32Å; L86-Y242 HydrophobicContact CB-CE1 4.21Å; L86-Y242 HydrophobicContact CB-CE2 4.36Å; L86-Y242 HydrophobicContact CD1-CD2 3.91Å; L86-Y242 HydrophobicContact CD1-CE2 3.51Å; L86-I243 WeakPolarHBondContact CD1-O 3.44Å
87	T	96.3	Very high	94.5	Very high	6 Å²	6	68.6 Å²	68.6	4%	0.037	35%	0.347	C	S	.	.			trans	-133	-179.6	173.6	-163.2	0	0	0	0	110.6	Y242 I243 K254	T87-Y242 PolarHBondContact N-O 3.01Å; T87-I243 HydrophobicContact CG2-CG1 4.11Å; T87-K254 HydrophobicContact CG2-CB 3.82Å; T87-K254 HydrophobicContact CG2-CD 4.44Å
88	T	93.3	Very high	94.7	Very high	66 Å²	66	68.4 Å²	68.4	41%	0.405	34%	0.344	S	S	.	.			trans	-130	171.4	173.8	80.2	0	0	0	0	110.9	E90 E91	T88-E90 WeakPolarHBondContact CB-OE2 3.39Å; T88-E90 PolarHBondContact O-N 2.78Å; T88-E90 PolarHBondContact OG1-N 3.1Å; T88-E90 PolarHBondContact OG1-OE2 3.47Å; T88-E91 PolarHBondContact OG1-N 3.08Å
89	M	87.9	Confident	94.8	Very high	89 Å²	89	70.7 Å²	70.7	44%	0.438	36%	0.36	S	S	.	.	S	Bend	trans	-61	-35	177.9	-65.5	-170.8	-77.8	0	0	112.2	I243 K254 I264	M89-I243 HydrophobicContact CG-CD1 4.14Å; M89-K254 PolarHBondContact O-NZ 3.44Å; M89-I264 HydrophobicContact CG-CB 3.93Å; M89-I264 HydrophobicContact CG-CD1 4.08Å; M89-I264 HydrophobicContact CG-CG2 4.26Å; M89-I264 HydrophobicContact SD-CB 3.95Å; M89-I264 HydrophobicContact SD-CD1 3.68Å; M89-I264 HydrophobicContact SD-CG1 4.43Å; M89-I264 HydrophobicContact SD-CG2 3.72Å
90	E	87.3	Confident	94.9	Very high	146 Å²	146	70.3 Å²	70.3	68%	0.682	36%	0.358	S	S	*	.	S	Bend	trans	-84.9	-27.7	-174.7	-53.6	72.6	-156.9	0	0	113.1	T88 D92	T88-E90 WeakPolarHBondContact CB-OE2 3.39Å; T88-E90 PolarHBondContact O-N 2.78Å; T88-E90 PolarHBondContact OG1-N 3.1Å; T88-E90 PolarHBondContact OG1-OE2 3.47Å; E90-D92 PolarHBondContact O-N 3.41Å
91	E	87.1	Confident	95	Very high	60 Å²	60	64.7 Å²	64.7	28%	0.28	33%	0.334	S	S	.	.			trans	-69.8	117.9	-174.4	-178.6	80.9	-75.5	0	0	111.6	T88 I93 K95 K254	T88-E91 PolarHBondContact OG1-N 3.08Å; E91-I93 HydrophobicContact CG-CB 4.14Å; E91-K95 WeakPolarHBondContact OE2-CE 3.2Å; E91-K95 IonicContact OE2-NZ 2.58Å; E91-K95 PolarHBondContact OE2-NZ 2.94Å; E91-K254 VanDerWaalsContact O-CE 3.29Å; E91-K254 WeakPolarHBondContact O-CE 3.4Å; E91-K254 PolarHBondContact O-NZ 3.35Å
92	D	85	Confident	95	Very high	105 Å²	105	66.7 Å²	66.7	56%	0.561	35%	0.353	S	S	*	.			trans	-91.4	1.1	179.5	-151.8	29.7	0	0	0	113.6	E90 K261	E90-D92 PolarHBondContact O-N 3.41Å; D92-K261 IonicContact OD1-NZ 2.79Å; D92-K261 PolarHBondContact OD1-NZ 3.4Å; D92-K261 IonicContact OD2-NZ 4Å; D92-K261 PolarHBondContact OD2-NZ 2.96Å
93	I	93.3	Very high	94.9	Very high	101 Å²	101	70.3 Å²	70.3	52%	0.518	36%	0.363	S	S	.	.	S	Bend	trans	-78.9	131.3	-179.2	-58.3	176.3	0	0	0	109.9	E91 K95	E91-I93 HydrophobicContact CG-CB 4.14Å; I93-K95 HydrophobicContact CG2-CG 4.3Å; I93-K95 WeakPolarHBondContact O-CG 3.28Å; I93-K95 PolarHBondContact O-N 3.03Å
94	D	96.7	Very high	94.8	Very high	57 Å²	57	69.2 Å²	69.2	31%	0.305	36%	0.359	S	S	.	.			trans	-69.3	101.8	169.8	-163.3	-33.9	0	0	0	110.5	A96 N238 K240	D94-A96 VanDerWaalsContact OD1-C 3.29Å; D94-A96 PolarHBondContact OD1-N 3.11Å; D94-N238 PolarHBondContact OD2-ND2 3.39Å; D94-N238 PolarHBondContact OD2-OD1 3.38Å; D94-K240 HydrophobicContact CB-CD 3.84Å; D94-K240 WeakPolarHBondContact OD2-CD 3.47Å; D94-K240 IonicContact OD2-NZ 2.79Å; D94-K240 PolarHBondContact OD2-NZ 2.66Å
95	K	97.6	Very high	94.7	Very high	67 Å²	67	69.9 Å²	69.9	29%	0.291	36%	0.364	S	S	.	.			trans	-95.6	5.1	179.3	-55.9	-131.2	-179.5	165.5	0	112.2	N85 E91 I93 K240	N85-K95 HydrophobicContact CB-CB 3.97Å; N85-K95 WeakPolarHBondContact CB-O 3.5Å; N85-K95 PolarHBondContact ND2-O 2.83Å; E91-K95 WeakPolarHBondContact OE2-CE 3.2Å; E91-K95 IonicContact OE2-NZ 2.58Å; E91-K95 PolarHBondContact OE2-NZ 2.94Å; I93-K95 HydrophobicContact CG2-CG 4.3Å; I93-K95 WeakPolarHBondContact O-CG 3.28Å; I93-K95 PolarHBondContact O-N 3.03Å; K95-K240 PolarHBondContact N-O 2.93Å
96	A	97.8	Very high	94.4	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.361	C	S	.	.			trans	-143.8	65.2	-171	0	0	0	0	0	112.2	Q84 D94 K98 Y239 K240	Q84-A96 HydrophobicContact CB-CB 3.86Å; Q84-A96 VanDerWaalsContact CD-CA 3.48Å; Q84-A96 HydrophobicContact CG-CB 4.4Å; Q84-A96 PolarHBondContact NE2-O 3.05Å; Q84-A96 PolarHBondContact OE1-O 2.9Å; D94-A96 VanDerWaalsContact OD1-C 3.29Å; D94-A96 PolarHBondContact OD1-N 3.11Å; A96-K98 PolarHBondContact O-N 3.03Å; A96-Y239 HydrophobicContact CB-CD1 3.4Å; A96-Y239 HydrophobicContact CB-CE1 3.39Å; A96-Y239 HydrophobicContact CB-CG 4.1Å; A96-K240 VanDerWaalsContact CB-C 3.47Å
97	P	96.1	Very high	94.3	Very high	103 Å²	103	68 Å²	68	67%	0.669	36%	0.357	S	S	*	.			trans	-65.6	1.6	-172.5	29.3	-38.8	0	0	0	116.1	Q84	Q84-P97 VanDerWaalsContact OE1-CD 3.26Å
98	K	98.1	Very high	94	Very high	136 Å²	136	68.8 Å²	68.8	59%	0.591	36%	0.36	S	S	*	.	S	Bend	trans	-115.8	162.6	176.2	-60.9	179.2	-178.4	177.9	0	110.3	N82 Q84 A96	N82-K98 WeakPolarHBondContact ND2-CB 3.24Å; Q84-K98 PolarHBondContact NE2-O 3.43Å; A96-K98 PolarHBondContact O-N 3.03Å
99	P	98.1	Very high	94.1	Very high	70 Å²	70	66.7 Å²	66.7	46%	0.455	35%	0.346	S	S	.	.			trans	-56.9	146.2	170.6	-27.7	37.2	0	0	0	112.8	N82 E232	N82-P99 PolarHBondContact ND2-O 3.21Å; P99-E232 WeakPolarHBondContact CA-OE1 3.34Å; P99-E232 HydrophobicContact CB-CG 3.94Å
100	L	98.4	Very high	94.4	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.36	C	S	.	.	S	Bend	trans	-66.2	-46.2	168.1	174.2	61.7	0	0	0	110.3	L81 N82 Y83 A102 Y228 E232 Y239 V251 I253 F267	L81-L100 CarbonylContact C-O 3.54Å; L81-L100 VanDerWaalsContact CA-O 3.31Å; L81-L100 WeakPolarHBondContact CA-O 3.27Å; L81-L100 HydrophobicContact CB-CD1 4.38Å; L81-L100 HydrophobicContact CD2-CD1 4.42Å; L81-L100 HydrophobicContact CD2-CG 4.18Å; N82-L100 PolarHBondContact N-O 3.26Å; Y83-L100 HydrophobicContact CD1-CD1 4.17Å; Y83-L100 HydrophobicContact CE1-CD1 4.44Å; L100-A102 PolarHBondContact O-N 3.18Å; L100-Y228 HydrophobicContact CB-CE1 4.22Å; L100-Y228 HydrophobicContact CD2-CE1 4.04Å; L100-E232 WeakPolarHBondContact CB-OE1 3.4Å; L100-E232 VanDerWaalsContact N-CD 3.33Å; L100-E232 PolarHBondContact N-OE1 3.45Å; L100-E232 PolarHBondContact N-OE2 2.87Å; L100-Y239 HydrophobicContact CB-CD1 3.8Å; L100-Y239 HydrophobicContact CB-CD2 4.21Å; L100-Y239 HydrophobicContact CB-CE1 4.1Å; L100-Y239 HydrophobicContact CB-CE2 4.48Å; L100-Y239 HydrophobicContact CB-CG 3.87Å; L100-Y239 HydrophobicContact CD1-CE1 4.08Å; L100-Y239 HydrophobicContact CD1-CE2 4.38Å; L100-V251 HydrophobicContact CD2-CG2 4.4Å; L100-I253 HydrophobicContact CD2-CD1 3.93Å; L100-I253 HydrophobicContact CD2-CG2 4.29Å; L100-F267 HydrophobicContact CD2-CZ 4.08Å
101	F	97.7	Very high	94.7	Very high	11 Å²	11	63.9 Å²	63.9	5%	0.048	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	91	178.4	-71.2	-84.9	0	0	0	110.8	I79 L81 I104 W225 Y228 F229 E232 F267 V269	I79-F101 HydrophobicContact CG2-CD1 3.95Å; I79-F101 HydrophobicContact CG2-CE1 3.95Å; L81-F101 HydrophobicContact CD2-CD1 3.45Å; L81-F101 VanDerWaalsContact CD2-CD1 3.45Å; L81-F101 HydrophobicContact CD2-CE1 3.46Å; L81-F101 VanDerWaalsContact CD2-CE1 3.46Å; L81-F101 HydrophobicContact CD2-CG 4.08Å; L81-F101 HydrophobicContact CD2-CZ 4.02Å; F101-I104 HydrophobicContact CB-CD1 4.1Å; F101-I104 HydrophobicContact CB-CG1 4.23Å; F101-I104 HydrophobicContact CD1-CD1 3.28Å; F101-I104 HydrophobicContact CD1-CG1 3.84Å; F101-I104 HydrophobicContact CE1-CD1 3.83Å; F101-I104 HydrophobicContact CG-CD1 3.85Å; F101-I104 HydrophobicContact CG-CG1 4.4Å; F101-W225 HydrophobicContact CE1-CE3 4.02Å; F101-W225 HydrophobicContact CZ-CB 4.07Å; F101-W225 HydrophobicContact CZ-CE3 4.21Å; F101-Y228 AromaticContact CD2-CD1 3.76Å; F101-Y228 HydrophobicContact CD2-CD1 3.76Å; F101-Y228 AromaticContact CD2-CE1 3.92Å; F101-Y228 HydrophobicContact CD2-CE1 3.92Å; F101-Y228 AromaticContact CE2-CD1 3.41Å; F101-Y228 HydrophobicContact CE2-CD1 3.41Å; F101-Y228 VanDerWaalsContact CE2-CD1 3.41Å; F101-Y228 AromaticContact CE2-CE1 3.86Å; F101-Y228 HydrophobicContact CE2-CE1 3.86Å; F101-Y228 HydrophobicContact CE2-CG 4.39Å; F101-F229 HydrophobicContact CB-CD2 3.59Å; F101-F229 HydrophobicContact CB-CE2 4.13Å; F101-F229 HydrophobicContact CD1-CD2 4.41Å; F101-F229 HydrophobicContact CD2-CB 4.01Å; F101-F229 HydrophobicContact CD2-CD2 4.26Å; F101-F229 HydrophobicContact CE2-CB 4.19Å; F101-F229 HydrophobicContact CG-CB 4.23Å; F101-F229 AromaticContact CG-CD2 3.84Å; F101-F229 HydrophobicContact CG-CD2 3.84Å; F101-F229 HydrophobicContact CG-CG 4.46Å; F101-E232 WeakPolarHBondContact CB-OE2 3.37Å; F101-E232 WeakPolarHBondContact CD2-OE2 3.49Å; F101-E232 PolarHBondContact N-OE2 2.97Å; F101-F267 HydrophobicContact CE2-CE2 4.3Å; F101-F267 HydrophobicContact CE2-CZ 4.32Å; F101-F267 HydrophobicContact CZ-CE2 4.09Å; F101-V269 HydrophobicContact CE1-CG1 4.21Å
102	A	96.3	Very high	95.2	Very high	59 Å²	59	65.4 Å²	65.4	49%	0.488	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-32.9	179.3	0	0	0	0	0	113.4	K80 N82 L100	K80-A102 HydrophobicContact CG-CB 4.49Å; K80-A102 WeakPolarHBondContact O-CB 3.49Å; K80-A102 PolarHBondContact O-N 3.08Å; N82-A102 HydrophobicContact CB-CB 3.87Å; L100-A102 PolarHBondContact O-N 3.18Å
103	R	95.2	Very high	95.8	Very high	126 Å²	126	60.5 Å²	60.5	48%	0.475	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	136.3	175.2	-172.5	176.3	68.8	95.1	0.2	110.2	E77 K80	E77-R103 PolarHBondContact O-NH1 2.9Å; E77-R103 PolarHBondContact O-NH2 3.38Å; K80-R103 HydrophobicContact CB-CB 4.06Å; K80-R103 PolarHBondContact N-O 2.96Å; K80-R103 PolarHBondContact O-N 3.43Å
104	I	95.4	Very high	96	Very high	15 Å²	15	55.7 Å²	55.7	8%	0.077	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.8	167.2	-55.4	-164.7	0	0	0	109.6	D78 I79 F101 Q106 L108 F109 W225 F229	D78-I104 CarbonylContact O-C 3.58Å; D78-I104 WeakPolarHBondContact O-CA 3.46Å; I79-I104 HydrophobicContact CG1-CG1 4.5Å; I79-I104 HydrophobicContact CG1-CG2 4.35Å; F101-I104 HydrophobicContact CB-CD1 4.1Å; F101-I104 HydrophobicContact CB-CG1 4.23Å; F101-I104 HydrophobicContact CD1-CD1 3.28Å; F101-I104 HydrophobicContact CD1-CG1 3.84Å; F101-I104 HydrophobicContact CE1-CD1 3.83Å; F101-I104 HydrophobicContact CG-CD1 3.85Å; F101-I104 HydrophobicContact CG-CG1 4.4Å; I104-Q106 PolarHBondContact O-N 3.03Å; I104-L108 HydrophobicContact CG2-CD1 4.48Å; I104-F109 HydrophobicContact CG2-CE2 4.49Å; I104-F109 HydrophobicContact CG2-CZ 4.09Å; I104-W225 HydrophobicContact CD1-CE3 4.27Å; I104-W225 HydrophobicContact CD1-CZ3 3.74Å; I104-W225 HydrophobicContact CG2-CZ3 4.45Å; I104-F229 HydrophobicContact CB-CE1 4.45Å; I104-F229 HydrophobicContact CB-CE2 4.08Å; I104-F229 HydrophobicContact CB-CZ 3.95Å; I104-F229 HydrophobicContact CD1-CB 3.86Å; I104-F229 HydrophobicContact CD1-CD1 3.73Å; I104-F229 HydrophobicContact CD1-CD2 3.16Å; I104-F229 HydrophobicContact CD1-CE1 4.02Å; I104-F229 HydrophobicContact CD1-CE2 3.46Å; I104-F229 VanDerWaalsContact CD1-CE2 3.46Å; I104-F229 HydrophobicContact CD1-CG 3.25Å; I104-F229 HydrophobicContact CD1-CZ 3.87Å; I104-F229 HydrophobicContact CG1-CD2 3.85Å; I104-F229 HydrophobicContact CG1-CE2 3.65Å; I104-F229 HydrophobicContact CG1-CG 4.34Å; I104-F229 HydrophobicContact CG1-CZ 4.03Å
105	N	95.7	Very high	96.1	Very high	56 Å²	56	55.1 Å²	55.1	30%	0.299	30%	0.3	S	S	.	.			trans	-72	102.8	165.5	-177.3	8.8	0	0	0	109.8	D78 S107 L108	D78-N105 HydrophobicContact CB-CB 3.89Å; D78-N105 PolarHBondContact O-N 2.81Å; D78-N105 WeakPolarHBondContact OD1-CB 3.29Å; D78-N105 PolarHBondContact OD1-ND2 2.83Å; N105-S107 VanDerWaalsContact CG-OG 3.27Å; N105-S107 PolarHBondContact ND2-OG 2.83Å; N105-S107 PolarHBondContact O-N 3.3Å; N105-S107 PolarHBondContact OD1-N 3.37Å; N105-S107 PolarHBondContact OD1-OG 3.15Å; N105-L108 WeakPolarHBondContact O-CG 3.33Å; N105-L108 PolarHBondContact O-N 3.02Å
106	Q	92.5	Very high	96.1	Very high	94 Å²	94	52.1 Å²	52.1	44%	0.439	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-72.4	-8.3	-175.2	-62.6	-179.3	51.8	0	0	113.3	I104 L108 F109	I104-Q106 PolarHBondContact O-N 3.03Å; Q106-L108 PolarHBondContact O-N 3.13Å; Q106-F109 HydrophobicContact CB-CD2 4.02Å; Q106-F109 HydrophobicContact CB-CE2 4.22Å; Q106-F109 HydrophobicContact CG-CD2 4.29Å; Q106-F109 HydrophobicContact CG-CE2 4.02Å; Q106-F109 PolarHBondContact O-N 2.97Å; Q106-F109 VanDerWaalsContact O-N 3.13Å
107	S	93.8	Very high	96.1	Very high	61 Å²	61	52.1 Å²	52.1	43%	0.427	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-64.3	-20.2	172.5	72.8	0	0	0	0	112.7	N105 F109 H110	N105-S107 VanDerWaalsContact CG-OG 3.27Å; N105-S107 PolarHBondContact ND2-OG 2.83Å; N105-S107 PolarHBondContact O-N 3.3Å; N105-S107 PolarHBondContact OD1-N 3.37Å; N105-S107 PolarHBondContact OD1-OG 3.15Å; S107-F109 PolarHBondContact O-N 3.37Å; S107-H110 WeakPolarHBondContact O-CB 3.33Å; S107-H110 PolarHBondContact O-N 3.19Å
108	L	91.1	Very high	96.1	Very high	23 Å²	23	49.6 Å²	49.6	12%	0.12	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-54.8	-39.2	171.8	-67.8	174.7	0	0	0	111.2	A74 D78 I104 N105 Q106 H110 S111 Y114 W225	A74-L108 HydrophobicContact CB-CD1 3.66Å; D78-L108 HydrophobicContact CB-CD1 3.83Å; D78-L108 HydrophobicContact CB-CG 4.41Å; I104-L108 HydrophobicContact CG2-CD1 4.48Å; N105-L108 WeakPolarHBondContact O-CG 3.33Å; N105-L108 PolarHBondContact O-N 3.02Å; Q106-L108 PolarHBondContact O-N 3.13Å; L108-H110 PolarHBondContact O-N 3.05Å; L108-S111 PolarHBondContact O-N 3.17Å; L108-S111 VanDerWaalsContact O-N 3.16Å; L108-Y114 HydrophobicContact CB-CD2 4.47Å; L108-Y114 HydrophobicContact CB-CE2 4.25Å; L108-Y114 WeakPolarHBondContact O-CD2 2.99Å; L108-W225 HydrophobicContact CD1-CH2 4.38Å
109	F	95.1	Very high	96.1	Very high	21 Å²	21	47.1 Å²	47.1	9%	0.092	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-71.6	-2.7	-175.7	-53.4	-39	0	0	0	114.4	I104 Q106 S107 Y114 I118 W225 V226 F229	I104-F109 HydrophobicContact CG2-CE2 4.49Å; I104-F109 HydrophobicContact CG2-CZ 4.09Å; Q106-F109 HydrophobicContact CB-CD2 4.02Å; Q106-F109 HydrophobicContact CB-CE2 4.22Å; Q106-F109 HydrophobicContact CG-CD2 4.29Å; Q106-F109 HydrophobicContact CG-CE2 4.02Å; Q106-F109 PolarHBondContact O-N 2.97Å; Q106-F109 VanDerWaalsContact O-N 3.13Å; S107-F109 PolarHBondContact O-N 3.37Å; F109-Y114 HydrophobicContact CD1-CD1 4.17Å; F109-Y114 HydrophobicContact CD1-CG 4.19Å; F109-Y114 HydrophobicContact CE1-CD1 4.49Å; F109-I118 HydrophobicContact CB-CD1 3.68Å; F109-I118 HydrophobicContact CD1-CD1 3.81Å; F109-I118 HydrophobicContact CD2-CD1 4.42Å; F109-I118 HydrophobicContact CG-CD1 3.71Å; F109-W225 HydrophobicContact CE1-CH2 4.02Å; F109-W225 HydrophobicContact CE1-CZ3 4.3Å; F109-W225 HydrophobicContact CZ-CH2 4.5Å; F109-W225 HydrophobicContact CZ-CZ3 4.4Å; F109-V226 HydrophobicContact CD1-CG1 4.45Å; F109-V226 HydrophobicContact CE1-CG1 3.98Å; F109-F229 HydrophobicContact CE2-CD1 4.06Å; F109-F229 AromaticContact CE2-CE1 3.58Å; F109-F229 HydrophobicContact CE2-CE1 3.58Å; F109-F229 AromaticContact CZ-CD1 3.69Å; F109-F229 HydrophobicContact CZ-CD1 3.69Å; F109-F229 AromaticContact CZ-CE1 3.68Å; F109-F229 HydrophobicContact CZ-CE1 3.68Å
110	H	93.6	Very high	96	Very high	159 Å²	159	43.8 Å²	43.8	74%	0.736	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-84.3	-14.2	173.7	-59.4	162	0	0	0	113.3	S107 L108	S107-H110 WeakPolarHBondContact O-CB 3.33Å; S107-H110 PolarHBondContact O-N 3.19Å; L108-H110 PolarHBondContact O-N 3.05Å
111	S	94.8	Very high	95.7	Very high	18 Å²	18	44.4 Å²	44.4	13%	0.126	24%	0.243	C	C	.	.	S	Bend	trans	-64.8	149.3	174.1	83.4	0	0	0	0	110.1	L108 T113 Y114 A115	L108-S111 PolarHBondContact O-N 3.17Å; L108-S111 VanDerWaalsContact O-N 3.16Å; S111-T113 VanDerWaalsContact C-N 3.3Å; S111-T113 PolarHBondContact O-N 2.97Å; S111-Y114 PolarHBondContact O-N 2.85Å; S111-Y114 WeakPolarHBondContact OG-CD2 3.42Å; S111-A115 WeakPolarHBondContact O-CB 3.36Å; S111-A115 PolarHBondContact O-N 3.44Å
112	P	96.9	Very high	95.2	Very high	91 Å²	91	48.5 Å²	48.5	59%	0.591	27%	0.266	S	S	*	.	H	α-helix	trans	-54.4	-41.3	-176.9	-28.4	36	0	0	0	114.1	A116 A148	P112-A116 VanDerWaalsContact O-CB 3.29Å; P112-A116 WeakPolarHBondContact O-CB 3.28Å; P112-A116 PolarHBondContact O-N 2.87Å; P112-A148 HydrophobicContact CB-CB 4.23Å
113	T	98.1	Very high	95	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-72.5	-42.3	-176	54.7	0	0	0	0	112.7	S111 L117 A148 V149 T152 E274	S111-T113 VanDerWaalsContact C-N 3.3Å; S111-T113 PolarHBondContact O-N 2.97Å; T113-L117 WeakPolarHBondContact O-CB 3.28Å; T113-L117 PolarHBondContact O-N 3.26Å; T113-A148 HydrophobicContact CG2-CB 3.97Å; T113-A148 VanDerWaalsContact CG2-O 3.29Å; T113-A148 WeakPolarHBondContact CG2-O 3.37Å; T113-V149 HydrophobicContact CG2-CG2 4.37Å; T113-T152 HydrophobicContact CG2-CG2 3.97Å; T113-E274 WeakPolarHBondContact CB-OE2 3.36Å; T113-E274 VanDerWaalsContact CG2-OE2 3.28Å; T113-E274 WeakPolarHBondContact CG2-OE2 3.02Å; T113-E274 PolarHBondContact OG1-OE1 3.16Å; T113-E274 PolarHBondContact OG1-OE2 3.21Å
114	Y	98.1	Very high	94.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.7	-44.3	172.1	-74.7	-67.5	0	0	0	112	N72 L108 F109 S111 A116 L117 I118 W225 V226 T271 S272 P273	N72-Y114 HydrophobicContact CB-CE2 4.48Å; N72-Y114 WeakPolarHBondContact O-CE2 3.47Å; N72-Y114 PolarHBondContact O-OH 3.48Å; L108-Y114 HydrophobicContact CB-CD2 4.47Å; L108-Y114 HydrophobicContact CB-CE2 4.25Å; L108-Y114 WeakPolarHBondContact O-CD2 2.99Å; F109-Y114 HydrophobicContact CD1-CD1 4.17Å; F109-Y114 HydrophobicContact CD1-CG 4.19Å; F109-Y114 HydrophobicContact CE1-CD1 4.49Å; S111-Y114 PolarHBondContact O-N 2.85Å; S111-Y114 WeakPolarHBondContact OG-CD2 3.42Å; Y114-A116 VanDerWaalsContact C-N 3.29Å; Y114-A116 PolarHBondContact O-N 2.57Å; Y114-L117 PolarHBondContact O-N 2.79Å; Y114-I118 WeakPolarHBondContact O-CB 3.42Å; Y114-I118 WeakPolarHBondContact O-CG1 3.23Å; Y114-I118 PolarHBondContact O-N 2.93Å; Y114-W225 HydrophobicContact CE1-CH2 4.24Å; Y114-W225 AromaticContact CE1-CZ2 3.6Å; Y114-W225 HydrophobicContact CE1-CZ2 3.6Å; Y114-W225 AromaticContact CZ-CZ2 3.85Å; Y114-W225 WeakPolarHBondContact OH-CZ2 3.36Å; Y114-V226 HydrophobicContact CD1-CG1 4.49Å; Y114-V226 HydrophobicContact CD1-CG2 3.71Å; Y114-V226 HydrophobicContact CE1-CG2 3.51Å; Y114-T271 PolarHBondContact OH-O 2.95Å; Y114-S272 WeakPolarHBondContact OH-CA 3.43Å; Y114-P273 HydrophobicContact CD1-CG 3.66Å; Y114-P273 HydrophobicContact CE1-CG 3.98Å; Y114-P273 HydrophobicContact CG-CG 4.17Å
115	A	97.2	Very high	94.5	Very high	45 Å²	45	43.7 Å²	43.7	37%	0.372	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-43.3	-179.9	0	0	0	0	0	111	S111 I118 N119	S111-A115 WeakPolarHBondContact O-CB 3.36Å; S111-A115 PolarHBondContact O-N 3.44Å; A115-I118 PolarHBondContact O-N 3.49Å; A115-N119 PolarHBondContact O-N 3.29Å; A115-N119 VanDerWaalsContact O-N 3.08Å
116	A	97.8	Very high	94.4	Very high	5 Å²	5	44 Å²	44	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-42.8	177	0	0	0	0	0	112.5	P112 Y114 I118 N119 L120 T144 F145 A148	P112-A116 VanDerWaalsContact O-CB 3.29Å; P112-A116 WeakPolarHBondContact O-CB 3.28Å; P112-A116 PolarHBondContact O-N 2.87Å; Y114-A116 VanDerWaalsContact C-N 3.29Å; Y114-A116 PolarHBondContact O-N 2.57Å; A116-I118 PolarHBondContact O-N 3.46Å; A116-N119 WeakPolarHBondContact O-CB 3.43Å; A116-N119 PolarHBondContact O-N 2.96Å; A116-L120 PolarHBondContact O-N 2.95Å; A116-T144 HydrophobicContact CB-CG2 4.25Å; A116-F145 HydrophobicContact CB-CB 3.94Å; A116-F145 HydrophobicContact CB-CD2 4.19Å; A116-A148 HydrophobicContact CB-CB 4.38Å
117	L	98	Very high	94.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.2	-48.1	173.8	174	63.1	0	0	0	111.4	T113 Y114 N119 L120 H121 F145 F199 F203 V226 P273	T113-L117 WeakPolarHBondContact O-CB 3.28Å; T113-L117 PolarHBondContact O-N 3.26Å; Y114-L117 PolarHBondContact O-N 2.79Å; L117-N119 PolarHBondContact O-N 3.29Å; L117-L120 WeakPolarHBondContact O-CB 3.46Å; L117-L120 PolarHBondContact O-N 2.88Å; L117-H121 PolarHBondContact O-CD2 3.35Å; L117-F145 HydrophobicContact CB-CD2 4.17Å; L117-F145 HydrophobicContact CB-CE2 3.98Å; L117-F145 HydrophobicContact CD1-CE2 4.33Å; L117-F199 HydrophobicContact CD1-CE2 4.4Å; L117-F199 HydrophobicContact CD1-CZ 3.65Å; L117-F203 HydrophobicContact CD1-CD1 4.4Å; L117-V226 HydrophobicContact CD2-CB 4.11Å; L117-V226 HydrophobicContact CD2-CG1 4.4Å; L117-V226 HydrophobicContact CD2-CG2 4.24Å; L117-P273 HydrophobicContact CB-CB 4.28Å; L117-P273 HydrophobicContact CB-CG 4.07Å; L117-P273 HydrophobicContact CD2-CB 3.93Å; L117-P273 HydrophobicContact CD2-CG 3.62Å; L117-P273 HydrophobicContact CG-CG 4.47Å
118	I	97.3	Very high	93.9	Very high	49 Å²	49	40.7 Å²	40.7	25%	0.251	22%	0.216	S	C	.	.	H	α-helix	trans	-61.9	-35	-180	-67.9	168.3	0	0	0	110.8	F109 Y114 A115 A116 L120 H121 V226 L230	F109-I118 HydrophobicContact CB-CD1 3.68Å; F109-I118 HydrophobicContact CD1-CD1 3.81Å; F109-I118 HydrophobicContact CD2-CD1 4.42Å; F109-I118 HydrophobicContact CG-CD1 3.71Å; Y114-I118 WeakPolarHBondContact O-CB 3.42Å; Y114-I118 WeakPolarHBondContact O-CG1 3.23Å; Y114-I118 PolarHBondContact O-N 2.93Å; A115-I118 PolarHBondContact O-N 3.49Å; A116-I118 PolarHBondContact O-N 3.46Å; I118-L120 PolarHBondContact O-N 3.32Å; I118-H121 VanDerWaalsContact O-CB 3.25Å; I118-H121 WeakPolarHBondContact O-CB 3.2Å; I118-H121 PolarHBondContact O-N 2.87Å; I118-V226 HydrophobicContact CD1-CG1 4.33Å; I118-V226 HydrophobicContact CG1-CG1 4.01Å; I118-L230 HydrophobicContact CB-CD1 4.42Å; I118-L230 HydrophobicContact CD1-CD1 4.1Å; I118-L230 HydrophobicContact CG1-CD1 3.74Å; I118-L230 HydrophobicContact CG2-CD1 3.97Å
119	N	96.2	Very high	93.4	Very high	85 Å²	85	42.7 Å²	42.7	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-67.5	-22.2	177.4	-155.2	22.9	0	0	0	113	A115 A116 L117 H121	A115-N119 PolarHBondContact O-N 3.29Å; A115-N119 VanDerWaalsContact O-N 3.08Å; A116-N119 WeakPolarHBondContact O-CB 3.43Å; A116-N119 PolarHBondContact O-N 2.96Å; L117-N119 PolarHBondContact O-N 3.29Å; N119-H121 VanDerWaalsContact C-N 3.33Å
120	L	96.7	Very high	93	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-78.4	-13.4	174.4	-65.4	179.2	0	0	0	113.9	A116 L117 I118 N122 V123 K141 I142 F145 F184 F199	A116-L120 PolarHBondContact O-N 2.95Å; L117-L120 WeakPolarHBondContact O-CB 3.46Å; L117-L120 PolarHBondContact O-N 2.88Å; I118-L120 PolarHBondContact O-N 3.32Å; L120-N122 PolarHBondContact O-N 3.43Å; L120-V123 HydrophobicContact CD2-CG2 3.98Å; L120-V123 WeakPolarHBondContact O-CB 3.37Å; L120-V123 PolarHBondContact O-N 3.11Å; L120-V123 VanDerWaalsContact O-N 3.08Å; L120-K141 HydrophobicContact CD2-CB 3.79Å; L120-I142 HydrophobicContact CD2-CG1 3.83Å; L120-F145 HydrophobicContact CD1-CB 3.61Å; L120-F145 HydrophobicContact CD1-CD1 3.76Å; L120-F145 HydrophobicContact CD1-CD2 4.25Å; L120-F145 HydrophobicContact CD1-CG 3.59Å; L120-F145 HydrophobicContact CG-CB 4.31Å; L120-F184 HydrophobicContact CD1-CZ 4.5Å; L120-F199 HydrophobicContact CB-CE1 4.08Å; L120-F199 HydrophobicContact CD1-CD1 4.46Å; L120-F199 HydrophobicContact CD1-CE1 3.52Å; L120-F199 HydrophobicContact CD1-CE2 4.35Å; L120-F199 HydrophobicContact CD1-CZ 3.44Å; L120-F199 VanDerWaalsContact CD1-CZ 3.44Å; L120-F199 HydrophobicContact CG-CE1 4.44Å
121	H	93.3	Very high	92.5	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.056	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-61.3	-16.2	-173.9	-79.8	-158.4	0	0	0	115.4	L117 I118 N119 R227	L117-H121 PolarHBondContact O-CD2 3.35Å; I118-H121 VanDerWaalsContact O-CB 3.25Å; I118-H121 WeakPolarHBondContact O-CB 3.2Å; I118-H121 PolarHBondContact O-N 2.87Å; N119-H121 VanDerWaalsContact C-N 3.33Å; H121-R227 VanDerWaalsContact CB-NH1 3.33Å; H121-R227 PolarHBondContact O-NH1 2.97Å; H121-R227 VanDerWaalsContact O-NH1 3.17Å
122	N	86.7	Confident	92.1	Very high	97 Å²	97	38.2 Å²	38.2	52%	0.519	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-121.5	14.3	-178	-63.1	-17.2	0	0	0	112.8	W6 L120	W6-N122 WeakPolarHBondContact CZ3-ND2 3.44Å; W6-N122 VanDerWaalsContact CZ3-OD1 3.23Å; W6-N122 WeakPolarHBondContact CZ3-OD1 3.26Å; L120-N122 PolarHBondContact O-N 3.43Å
123	V	91.5	Very high	91.4	Very high	12 Å²	12	40.7 Å²	40.7	7%	0.073	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-42.9	179.8	169.5	0	0	0	0	111.4	L120 L134 D138 K141	L120-V123 HydrophobicContact CD2-CG2 3.98Å; L120-V123 WeakPolarHBondContact O-CB 3.37Å; L120-V123 PolarHBondContact O-N 3.11Å; L120-V123 VanDerWaalsContact O-N 3.08Å; V123-L134 HydrophobicContact CG1-CD2 3.64Å; V123-D138 HydrophobicContact CG1-CB 3.81Å; V123-K141 HydrophobicContact CG2-CB 4.29Å; V123-K141 HydrophobicContact CG2-CD 3.48Å; V123-K141 VanDerWaalsContact CG2-CD 3.48Å
124	F	91.2	Very high	90.7	Very high	18 Å²	18	40.8 Å²	40.8	8%	0.079	21%	0.212	C	C	.	.	S	Bend	trans	-100.2	156.5	-173.1	-55.3	-88	0	0	0	111.4	L134 I142 F184 F199 E200 L204	F124-L134 HydrophobicContact CD1-CD2 4.3Å; F124-L134 HydrophobicContact CE1-CD1 4.29Å; F124-L134 HydrophobicContact CE1-CD2 4.17Å; F124-I142 HydrophobicContact CZ-CD1 3.93Å; F124-I142 HydrophobicContact CZ-CG1 4.32Å; F124-F184 AromaticContact CZ-CD1 4Å; F124-F184 HydrophobicContact CZ-CD1 4Å; F124-F184 HydrophobicContact CZ-CE1 4.09Å; F124-F199 HydrophobicContact CE2-CD1 4.12Å; F124-F199 HydrophobicContact CE2-CE1 4.48Å; F124-E200 HydrophobicContact CB-CB 4.4Å; F124-E200 HydrophobicContact CB-CG 3.87Å; F124-E200 HydrophobicContact CD1-CB 4.34Å; F124-E200 HydrophobicContact CG-CB 4.22Å; F124-E200 HydrophobicContact CG-CG 4.24Å; F124-L204 HydrophobicContact CB-CD1 4.35Å; F124-L204 HydrophobicContact CD2-CD1 3.36Å; F124-L204 HydrophobicContact CE2-CD1 4.04Å; F124-L204 HydrophobicContact CG-CD1 4.2Å
125	N	89.9	Confident	90.1	Very high	69 Å²	69	42 Å²	42	37%	0.369	22%	0.219	S	C	.	.			trans	-65.5	156.9	172.3	-66.8	-82.4	0	0	0	110.1	A130 E132 E200	N125-A130 HydrophobicContact CB-CB 4.04Å; N125-E132 WeakPolarHBondContact CA-OE1 3.45Å; N125-E132 WeakPolarHBondContact CB-OE1 3.25Å; N125-E132 PolarHBondContact N-OE1 3.19Å; N125-E132 VanDerWaalsContact ND2-CD 3.26Å; N125-E132 PolarHBondContact ND2-OE1 3.24Å; N125-E132 PolarHBondContact ND2-OE2 3.23Å; N125-E200 VanDerWaalsContact O-OE1 3.05Å
126	R	92.4	Very high	89.6	Confident	63 Å²	63	43.9 Å²	43.9	24%	0.238	22%	0.222	C	C	.	.	S	Bend	trans	-87.1	-17.3	170.9	-62.1	180	-179.6	-161.5	-3.6	111.8	E206 W207 E236 W257	R126-E206 CarbonylContact O-C 3.58Å; R126-W207 HydrophobicContact CB-CD2 4.04Å; R126-W207 HydrophobicContact CB-CE3 3.88Å; R126-W207 HydrophobicContact CB-CZ3 4.17Å; R126-W207 WeakPolarHBondContact O-CA 3.47Å; R126-W207 WeakPolarHBondContact O-CB 3.47Å; R126-W207 PolarHBondContact O-N 2.65Å; R126-E236 IonicContact CZ-OE2 2.99Å; R126-E236 VanDerWaalsContact CZ-OE2 3.26Å; R126-E236 IonicContact NH1-OE2 3.26Å; R126-E236 PolarHBondContact NH1-OE2 3.21Å; R126-E236 IonicContact NH2-OE1 2.72Å; R126-E236 IonicContact NH2-OE2 3.69Å; R126-E236 PolarHBondContact NH2-OE2 2.99Å; R126-W257 HydrophobicContact CB-CH2 4.34Å; R126-W257 HydrophobicContact CG-CH2 4Å; R126-W257 HydrophobicContact CG-CZ2 4.13Å
127	M	90.7	Very high	89.3	Confident	54 Å²	54	48.5 Å²	48.5	27%	0.266	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-97.6	115.9	-176.4	-69	-67.7	-51.7	0	0	108.4	E129 A130 W207 Y260	M127-E129 WeakPolarHBondContact CE-OE2 3.34Å; M127-E129 PolarHBondContact O-N 2.97Å; M127-A130 HydrophobicContact CB-CB 3.92Å; M127-A130 WeakPolarHBondContact O-CB 3.19Å; M127-A130 PolarHBondContact O-N 3.12Å; M127-W207 HydrophobicContact CG-CE3 4.37Å; M127-W207 HydrophobicContact SD-CB 3.79Å; M127-W207 HydrophobicContact SD-CD2 4.47Å; M127-W207 HydrophobicContact SD-CE3 3.74Å; M127-Y260 PolarHBondContact SD-OH 2.9Å; M127-Y260 VanDerWaalsContact SD-OH 3.38Å
128	E	84.6	Confident	89	Confident	31 Å²	31	49.4 Å²	49.4	15%	0.145	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.9	-177.7	-177.5	-177.3	170.4	0	0	112.2	S195 E206 W207 K208	E128-S195 WeakPolarHBondContact O-CB 3.46Å; E128-S195 PolarHBondContact O-OG 2.8Å; E128-E206 HydrophobicContact CB-CB 4.03Å; E128-W207 PolarHBondContact N-O 3.28Å; E128-K208 IonicContact OE1-NZ 3.18Å; E128-K208 PolarHBondContact OE1-NZ 2.65Å; E128-K208 VanDerWaalsContact OE2-CB 3.24Å; E128-K208 WeakPolarHBondContact OE2-CB 3.45Å; E128-K208 WeakPolarHBondContact OE2-CD 3.04Å; E128-K208 WeakPolarHBondContact OE2-CE 2.95Å; E128-K208 WeakPolarHBondContact OE2-CG 3.25Å; E128-K208 IonicContact OE2-NZ 3.74Å; E128-K208 PolarHBondContact OE2-NZ 3.31Å
129	E	82.2	Confident	88.6	Confident	65 Å²	65	48.4 Å²	48.4	30%	0.304	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.6	-178	-47.3	86.3	172.9	0	0	113.9	M127 T209	M127-E129 WeakPolarHBondContact CE-OE2 3.34Å; M127-E129 PolarHBondContact O-N 2.97Å; E129-T209 PolarHBondContact OE1-N 2.68Å
130	A	85.1	Confident	88.5	Confident	31 Å²	31	48.6 Å²	48.6	26%	0.256	24%	0.241	S	C	.	.	S	Bend	trans	-79.4	133.5	177.1	0	0	0	0	0	110.1	N125 M127 E132 S195	N125-A130 HydrophobicContact CB-CB 4.04Å; M127-A130 HydrophobicContact CB-CB 3.92Å; M127-A130 WeakPolarHBondContact O-CB 3.19Å; M127-A130 PolarHBondContact O-N 3.12Å; A130-E132 PolarHBondContact O-N 3.32Å; A130-S195 WeakPolarHBondContact O-CA 3.38Å; A130-S195 WeakPolarHBondContact O-CB 3.3Å
131	S	84.9	Confident	88.4	Confident	53 Å²	53	50.7 Å²	50.7	37%	0.371	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-66.9	129.4	178.3	-59.6	0	0	0	0	110.9
132	E	85.8	Confident	88.5	Confident	20 Å²	20	50.2 Å²	50.2	9%	0.093	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-73.3	139.1	177.1	-75.5	-57.6	137.6	0	0	111.5	N125 A130 L186 K194 S195	N125-E132 WeakPolarHBondContact CA-OE1 3.45Å; N125-E132 WeakPolarHBondContact CB-OE1 3.25Å; N125-E132 PolarHBondContact N-OE1 3.19Å; N125-E132 VanDerWaalsContact ND2-CD 3.26Å; N125-E132 PolarHBondContact ND2-OE1 3.24Å; N125-E132 PolarHBondContact ND2-OE2 3.23Å; A130-E132 PolarHBondContact O-N 3.32Å; E132-L186 HydrophobicContact CB-CD1 3.57Å; E132-L186 HydrophobicContact CB-CD2 3.85Å; E132-L186 HydrophobicContact CB-CG 4.36Å; E132-L186 HydrophobicContact CG-CD1 4.32Å; E132-L186 HydrophobicContact CG-CD2 3.62Å; E132-K194 PolarHBondContact N-O 3.48Å; E132-S195 WeakPolarHBondContact CG-O 3.09Å
133	R	81.6	Confident	89	Confident	144 Å²	144	46.7 Å²	46.7	54%	0.543	23%	0.228	S	C	.	.			trans	-140.3	92.1	179.6	-65.1	-171.6	-178.4	-177.6	0.5	109.5	Y15	Y15-R133 HydrophobicContact CD1-CB 3.45Å; Y15-R133 VanDerWaalsContact CD1-CB 3.45Å; Y15-R133 HydrophobicContact CD1-CG 4.36Å; Y15-R133 HydrophobicContact CE1-CB 3.83Å; Y15-R133 HydrophobicContact CG-CB 3.87Å; Y15-R133 HydrophobicContact CG-CG 4.36Å
134	L	83.9	Confident	89.2	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.016	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-90.3	135	-179	-56	177.6	0	0	0	109.9	I16 I18 L21 V123 F124 D138 I142	I16-L134 PolarHBondContact N-O 3.38Å; I18-L134 HydrophobicContact CD1-CD1 4.2Å; I18-L134 HydrophobicContact CG1-CD1 4.4Å; L21-L134 HydrophobicContact CD1-CD1 4.4Å; V123-L134 HydrophobicContact CG1-CD2 3.64Å; F124-L134 HydrophobicContact CD1-CD2 4.3Å; F124-L134 HydrophobicContact CE1-CD1 4.29Å; F124-L134 HydrophobicContact CE1-CD2 4.17Å; L134-D138 HydrophobicContact CB-CB 4.18Å; L134-D138 HydrophobicContact CD2-CB 4.15Å; L134-I142 HydrophobicContact CD1-CD1 4.08Å
135	D	85.3	Confident	89.5	Confident	27 Å²	27	48.5 Å²	48.5	14%	0.144	24%	0.241	C	C	.	.			trans	-98.5	-177.4	171.4	72.5	20.1	0	0	0	111.9	K11 E137 D138 R139	K11-D135 IonicContact NZ-OD2 2.66Å; D135-E137 VanDerWaalsContact C-N 3.28Å; D135-E137 PolarHBondContact O-N 2.9Å; D135-E137 WeakPolarHBondContact OD1-CA 3.42Å; D135-E137 VanDerWaalsContact OD1-CB 3.26Å; D135-E137 WeakPolarHBondContact OD1-CB 3.34Å; D135-E137 PolarHBondContact OD1-N 2.9Å; D135-D138 PolarHBondContact N-OD2 2.73Å; D135-D138 PolarHBondContact O-N 2.84Å; D135-D138 PolarHBondContact OD1-N 2.8Å; D135-R139 PolarHBondContact O-N 3.13Å
136	D	87	Confident	89.9	Confident	83 Å²	83	45.2 Å²	45.2	44%	0.444	22%	0.223	S	C	.	.	H	α-helix	trans	-63.9	-31.4	177.3	-100.4	-37.5	0	0	0	113.1	I16 R139 I140	I16-D136 HydrophobicContact CD1-CB 4.03Å; I16-D136 VanDerWaalsContact CD1-OD1 3.24Å; I16-D136 WeakPolarHBondContact CD1-OD1 3.42Å; D136-R139 IonicContact OD1-CZ 2.86Å; D136-R139 IonicContact OD1-NE 3Å; D136-R139 PolarHBondContact OD1-NE 2.86Å; D136-R139 IonicContact OD1-NH2 3.45Å; D136-R139 PolarHBondContact OD1-NH2 3.35Å; D136-I140 WeakPolarHBondContact O-CD1 3.46Å; D136-I140 VanDerWaalsContact O-CG1 3.27Å; D136-I140 WeakPolarHBondContact O-CG1 3.37Å; D136-I140 PolarHBondContact O-N 3Å; D136-I140 VanDerWaalsContact O-N 3.08Å
137	E	91.3	Very high	90.2	Very high	103 Å²	103	45.8 Å²	45.8	48%	0.481	23%	0.231	S	C	.	.	H	α-helix	trans	-68.6	-41	176.3	-62.5	178.3	-161.5	0	0	110.3	K11 D135 I140 K141	K11-E137 IonicContact NZ-OE1 2.66Å; K11-E137 PolarHBondContact NZ-OE1 2.81Å; K11-E137 IonicContact NZ-OE2 2.9Å; K11-E137 PolarHBondContact NZ-OE2 2.64Å; D135-E137 VanDerWaalsContact C-N 3.28Å; D135-E137 PolarHBondContact O-N 2.9Å; D135-E137 WeakPolarHBondContact OD1-CA 3.42Å; D135-E137 VanDerWaalsContact OD1-CB 3.26Å; D135-E137 WeakPolarHBondContact OD1-CB 3.34Å; D135-E137 PolarHBondContact OD1-N 2.9Å; E137-I140 PolarHBondContact O-N 2.79Å; E137-K141 WeakPolarHBondContact O-CG 3.32Å; E137-K141 PolarHBondContact O-N 3.21Å
138	D	92.5	Very high	90.5	Very high	18 Å²	18	44 Å²	44	10%	0.096	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-41.5	176.1	-65.5	-32	0	0	0	111.8	V123 L134 D135 I140 K141 I142	V123-D138 HydrophobicContact CG1-CB 3.81Å; L134-D138 HydrophobicContact CB-CB 4.18Å; L134-D138 HydrophobicContact CD2-CB 4.15Å; D135-D138 PolarHBondContact N-OD2 2.73Å; D135-D138 PolarHBondContact O-N 2.84Å; D135-D138 PolarHBondContact OD1-N 2.8Å; D138-I140 VanDerWaalsContact C-N 3.32Å; D138-I140 PolarHBondContact O-N 2.9Å; D138-K141 PolarHBondContact O-N 2.81Å; D138-K141 IonicContact OD1-NZ 2.85Å; D138-K141 PolarHBondContact OD1-NZ 2.58Å; D138-I142 WeakPolarHBondContact O-CG1 3.16Å; D138-I142 PolarHBondContact O-N 3.46Å
139	R	89	Confident	91.2	Very high	29 Å²	29	42.6 Å²	42.6	11%	0.109	22%	0.219	C	C	.	.	H	α-helix	trans	-55.9	-47.3	171.1	-175.6	-175.9	54.9	75.5	7	111.3	L21 Y29 D135 D136 K141 I142 E143	L21-R139 HydrophobicContact CD2-CB 3.83Å; L21-R139 VanDerWaalsContact CD2-CD 3.5Å; L21-R139 HydrophobicContact CD2-CG 3.77Å; Y29-R139 HydrophobicContact CE2-CG 4.2Å; D135-R139 PolarHBondContact O-N 3.13Å; D136-R139 IonicContact OD1-CZ 2.86Å; D136-R139 IonicContact OD1-NE 3Å; D136-R139 PolarHBondContact OD1-NE 2.86Å; D136-R139 IonicContact OD1-NH2 3.45Å; D136-R139 PolarHBondContact OD1-NH2 3.35Å; R139-K141 VanDerWaalsContact C-N 3.3Å; R139-K141 PolarHBondContact O-N 3.11Å; R139-I142 PolarHBondContact O-N 3.04Å; R139-E143 HydrophobicContact CG-CG 4.47Å; R139-E143 IonicContact NH1-OE1 2.79Å; R139-E143 PolarHBondContact NH1-OE1 3.27Å; R139-E143 IonicContact NH1-OE2 2.9Å; R139-E143 PolarHBondContact NH1-OE2 3.35Å; R139-E143 WeakPolarHBondContact O-CG 3.45Å; R139-E143 PolarHBondContact O-N 3.48Å
140	I	92.7	Very high	91.9	Very high	88 Å²	88	40.2 Å²	40.2	45%	0.451	21%	0.21	S	C	.	.	H	α-helix	trans	-61.7	-39.2	179.1	-70.7	164	0	0	0	111	D136 E137 D138 E143 T144	D136-I140 WeakPolarHBondContact O-CD1 3.46Å; D136-I140 VanDerWaalsContact O-CG1 3.27Å; D136-I140 WeakPolarHBondContact O-CG1 3.37Å; D136-I140 PolarHBondContact O-N 3Å; D136-I140 VanDerWaalsContact O-N 3.08Å; E137-I140 PolarHBondContact O-N 2.79Å; D138-I140 VanDerWaalsContact C-N 3.32Å; D138-I140 PolarHBondContact O-N 2.9Å; I140-E143 PolarHBondContact O-N 2.9Å; I140-T144 VanDerWaalsContact O-CB 3.3Å; I140-T144 WeakPolarHBondContact O-CB 3.39Å; I140-T144 PolarHBondContact O-N 2.85Å; I140-T144 PolarHBondContact O-OG1 3.18Å
141	K	95.6	Very high	92.6	Very high	45 Å²	45	46.7 Å²	46.7	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-42.7	176.1	-63.9	167.6	-164.4	153	0	111.4	L120 V123 E137 D138 R139 T144 F145	L120-K141 HydrophobicContact CD2-CB 3.79Å; V123-K141 HydrophobicContact CG2-CB 4.29Å; V123-K141 HydrophobicContact CG2-CD 3.48Å; V123-K141 VanDerWaalsContact CG2-CD 3.48Å; E137-K141 WeakPolarHBondContact O-CG 3.32Å; E137-K141 PolarHBondContact O-N 3.21Å; D138-K141 PolarHBondContact O-N 2.81Å; D138-K141 IonicContact OD1-NZ 2.85Å; D138-K141 PolarHBondContact OD1-NZ 2.58Å; R139-K141 VanDerWaalsContact C-N 3.3Å; R139-K141 PolarHBondContact O-N 3.11Å; K141-T144 PolarHBondContact O-N 3.27Å; K141-F145 PolarHBondContact O-N 3.08Å
142	I	95.8	Very high	93.2	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-48.5	177.1	-67.5	166.5	0	0	0	110.6	L120 F124 L134 D138 R139 T144 F145 L146 F180 F184	L120-I142 HydrophobicContact CD2-CG1 3.83Å; F124-I142 HydrophobicContact CZ-CD1 3.93Å; F124-I142 HydrophobicContact CZ-CG1 4.32Å; L134-I142 HydrophobicContact CD1-CD1 4.08Å; D138-I142 WeakPolarHBondContact O-CG1 3.16Å; D138-I142 PolarHBondContact O-N 3.46Å; R139-I142 PolarHBondContact O-N 3.04Å; I142-T144 VanDerWaalsContact C-N 3.35Å; I142-T144 PolarHBondContact O-N 3.44Å; I142-F145 PolarHBondContact O-N 3.08Å; I142-L146 HydrophobicContact CG2-CD1 3.89Å; I142-L146 HydrophobicContact CG2-CG 4.47Å; I142-L146 WeakPolarHBondContact O-CG 3.38Å; I142-L146 PolarHBondContact O-N 2.8Å; I142-F180 HydrophobicContact CG2-CE2 3.97Å; I142-F184 HydrophobicContact CB-CE1 4.48Å; I142-F184 HydrophobicContact CD1-CD1 4.12Å; I142-F184 HydrophobicContact CD1-CE1 4.46Å; I142-F184 HydrophobicContact CG1-CD1 4.19Å; I142-F184 HydrophobicContact CG1-CE1 4.05Å; I142-F184 HydrophobicContact CG2-CD1 3.76Å; I142-F184 HydrophobicContact CG2-CD2 4.04Å; I142-F184 HydrophobicContact CG2-CE1 3.76Å; I142-F184 HydrophobicContact CG2-CE2 4.05Å; I142-F184 HydrophobicContact CG2-CG 3.9Å; I142-F184 HydrophobicContact CG2-CZ 3.91Å
143	E	95.2	Very high	93.8	Very high	24 Å²	24	49.4 Å²	49.4	11%	0.112	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-44.2	176.5	-72.1	176.4	169.3	0	0	111.5	S26 Y29 R139 I140 F145 L146 D147	S26-E143 WeakPolarHBondContact CB-OE1 3.33Å; S26-E143 PolarHBondContact OG-OE1 3.11Å; Y29-E143 HydrophobicContact CE2-CG 4.22Å; Y29-E143 VanDerWaalsContact CE2-OE1 3.24Å; Y29-E143 WeakPolarHBondContact CE2-OE1 3.09Å; R139-E143 HydrophobicContact CG-CG 4.47Å; R139-E143 IonicContact NH1-OE1 2.79Å; R139-E143 PolarHBondContact NH1-OE1 3.27Å; R139-E143 IonicContact NH1-OE2 2.9Å; R139-E143 PolarHBondContact NH1-OE2 3.35Å; R139-E143 WeakPolarHBondContact O-CG 3.45Å; R139-E143 PolarHBondContact O-N 3.48Å; I140-E143 PolarHBondContact O-N 2.9Å; E143-F145 VanDerWaalsContact C-N 3.28Å; E143-F145 PolarHBondContact O-N 3.26Å; E143-L146 PolarHBondContact O-N 3.4Å; E143-L146 VanDerWaalsContact O-N 3.17Å; E143-D147 WeakPolarHBondContact O-CB 3.23Å; E143-D147 VanDerWaalsContact O-CG 3.23Å; E143-D147 PolarHBondContact O-N 3.18Å
144	T	96.7	Very high	94.6	Very high	68 Å²	68	42.6 Å²	42.6	42%	0.417	22%	0.221	S	C	.	.	H	α-helix	trans	-57.9	-40.9	177.4	-59.7	0	0	0	0	111.8	A116 I140 K141 I142 A148	A116-T144 HydrophobicContact CB-CG2 4.25Å; I140-T144 VanDerWaalsContact O-CB 3.3Å; I140-T144 WeakPolarHBondContact O-CB 3.39Å; I140-T144 PolarHBondContact O-N 2.85Å; I140-T144 PolarHBondContact O-OG1 3.18Å; K141-T144 PolarHBondContact O-N 3.27Å; I142-T144 VanDerWaalsContact C-N 3.35Å; I142-T144 PolarHBondContact O-N 3.44Å; T144-A148 VanDerWaalsContact O-CB 3.26Å; T144-A148 WeakPolarHBondContact O-CB 3.4Å; T144-A148 PolarHBondContact O-N 2.83Å
145	F	98.1	Very high	95.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.4	-48.2	175.6	170.4	-105.3	0	0	0	112.1	A116 L117 L120 K141 I142 E143 D147 A148 V149 F184 F199 P273 I277	A116-F145 HydrophobicContact CB-CB 3.94Å; A116-F145 HydrophobicContact CB-CD2 4.19Å; L117-F145 HydrophobicContact CB-CD2 4.17Å; L117-F145 HydrophobicContact CB-CE2 3.98Å; L117-F145 HydrophobicContact CD1-CE2 4.33Å; L120-F145 HydrophobicContact CD1-CB 3.61Å; L120-F145 HydrophobicContact CD1-CD1 3.76Å; L120-F145 HydrophobicContact CD1-CD2 4.25Å; L120-F145 HydrophobicContact CD1-CG 3.59Å; L120-F145 HydrophobicContact CG-CB 4.31Å; K141-F145 PolarHBondContact O-N 3.08Å; I142-F145 PolarHBondContact O-N 3.08Å; E143-F145 VanDerWaalsContact C-N 3.28Å; E143-F145 PolarHBondContact O-N 3.26Å; F145-D147 PolarHBondContact O-N 2.89Å; F145-A148 PolarHBondContact O-N 3.49Å; F145-V149 HydrophobicContact CD2-CG2 4.24Å; F145-V149 HydrophobicContact CE1-CG2 4.23Å; F145-V149 HydrophobicContact CE2-CG2 3.75Å; F145-V149 HydrophobicContact CZ-CG2 3.75Å; F145-V149 WeakPolarHBondContact O-CG2 3.24Å; F145-V149 PolarHBondContact O-N 3.07Å; F145-F184 HydrophobicContact CD1-CZ 4.07Å; F145-F184 HydrophobicContact CE1-CZ 4.34Å; F145-F199 HydrophobicContact CD1-CE2 4.09Å; F145-F199 HydrophobicContact CD1-CZ 4.36Å; F145-F199 HydrophobicContact CE1-CD2 4.16Å; F145-F199 AromaticContact CE1-CE2 3.37Å; F145-F199 HydrophobicContact CE1-CE2 3.37Å; F145-F199 AromaticContact CE1-CZ 3.99Å; F145-F199 HydrophobicContact CE1-CZ 3.99Å; F145-F199 AromaticContact CZ-CE2 3.67Å; F145-F199 HydrophobicContact CZ-CE2 3.67Å; F145-F199 HydrophobicContact CZ-CZ 4.19Å; F145-P273 HydrophobicContact CE2-CB 3.96Å; F145-I277 HydrophobicContact CE1-CD1 3.8Å; F145-I277 HydrophobicContact CZ-CD1 4.16Å
146	L	98.1	Very high	96	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-42.2	-179.8	-74.7	173.8	0	0	0	112	W28 I142 E143 V149 A150 F179 F180 F184	W28-L146 HydrophobicContact CB-CD1 4.5Å; W28-L146 HydrophobicContact CD2-CB 3.81Å; W28-L146 HydrophobicContact CD2-CD1 3.69Å; W28-L146 HydrophobicContact CD2-CG 4.28Å; W28-L146 HydrophobicContact CE3-CB 4.22Å; W28-L146 HydrophobicContact CE3-CD1 3.84Å; W28-L146 HydrophobicContact CE3-CD2 4.28Å; W28-L146 HydrophobicContact CE3-CG 4.37Å; W28-L146 HydrophobicContact CG-CB 4.44Å; W28-L146 HydrophobicContact CG-CD1 3.94Å; W28-L146 HydrophobicContact CH2-CB 3.85Å; W28-L146 HydrophobicContact CH2-CD2 4.17Å; W28-L146 VanDerWaalsContact CZ2-C 3.42Å; W28-L146 HydrophobicContact CZ2-CB 3.44Å; W28-L146 VanDerWaalsContact CZ2-CB 3.44Å; W28-L146 HydrophobicContact CZ2-CG 4.48Å; W28-L146 WeakPolarHBondContact CZ2-O 3.32Å; W28-L146 HydrophobicContact CZ3-CB 4.23Å; W28-L146 HydrophobicContact CZ3-CD1 4.4Å; W28-L146 HydrophobicContact CZ3-CD2 4.01Å; W28-L146 HydrophobicContact CZ3-CG 4.47Å; I142-L146 HydrophobicContact CG2-CD1 3.89Å; I142-L146 HydrophobicContact CG2-CG 4.47Å; I142-L146 WeakPolarHBondContact O-CG 3.38Å; I142-L146 PolarHBondContact O-N 2.8Å; E143-L146 PolarHBondContact O-N 3.4Å; E143-L146 VanDerWaalsContact O-N 3.17Å; L146-V149 PolarHBondContact O-N 3.35Å; L146-A150 VanDerWaalsContact O-CB 3.28Å; L146-A150 WeakPolarHBondContact O-CB 3.3Å; L146-A150 PolarHBondContact O-N 2.88Å; L146-F179 HydrophobicContact CD2-CD1 3.89Å; L146-F179 HydrophobicContact CD2-CE1 3.62Å; L146-F180 HydrophobicContact CD1-CD2 3.78Å; L146-F180 HydrophobicContact CD1-CE2 4.43Å; L146-F184 HydrophobicContact CD1-CD2 4.1Å; L146-F184 HydrophobicContact CD1-CE2 3.96Å; L146-F184 HydrophobicContact CD2-CD2 4.38Å; L146-F184 HydrophobicContact CD2-CE2 3.69Å; L146-F184 HydrophobicContact CG-CE2 3.89Å
147	D	97.7	Very high	96.5	Very high	74 Å²	74	43.4 Å²	43.4	40%	0.396	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-47.4	174.9	-69.7	-15.5	0	0	0	110.9	W28 E143 F145 V149 A150 E151	W28-D147 PolarHBondContact NE1-OD1 3.07Å; E143-D147 WeakPolarHBondContact O-CB 3.23Å; E143-D147 VanDerWaalsContact O-CG 3.23Å; E143-D147 PolarHBondContact O-N 3.18Å; F145-D147 PolarHBondContact O-N 2.89Å; D147-V149 VanDerWaalsContact C-N 3.29Å; D147-V149 PolarHBondContact O-N 2.82Å; D147-A150 PolarHBondContact O-N 3.02Å; D147-A150 VanDerWaalsContact O-N 3.08Å; D147-E151 WeakPolarHBondContact O-CG 3.33Å; D147-E151 PolarHBondContact O-N 3.39Å
148	A	98.2	Very high	96.9	Very high	18 Å²	18	38.5 Å²	38.5	15%	0.149	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-40.1	177.6	0	0	0	0	0	112.2	P112 T113 A116 T144 F145 T152	P112-A148 HydrophobicContact CB-CB 4.23Å; T113-A148 HydrophobicContact CG2-CB 3.97Å; T113-A148 VanDerWaalsContact CG2-O 3.29Å; T113-A148 WeakPolarHBondContact CG2-O 3.37Å; A116-A148 HydrophobicContact CB-CB 4.38Å; T144-A148 VanDerWaalsContact O-CB 3.26Å; T144-A148 WeakPolarHBondContact O-CB 3.4Å; T144-A148 PolarHBondContact O-N 2.83Å; F145-A148 PolarHBondContact O-N 3.49Å; A148-T152 WeakPolarHBondContact O-CG2 3.17Å
149	V	98.6	Very high	97.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-66.7	-43.7	174.3	167.5	0	0	0	0	110.7	T113 F145 L146 D147 E151 T152 Y155 E274 I277	T113-V149 HydrophobicContact CG2-CG2 4.37Å; F145-V149 HydrophobicContact CD2-CG2 4.24Å; F145-V149 HydrophobicContact CE1-CG2 4.23Å; F145-V149 HydrophobicContact CE2-CG2 3.75Å; F145-V149 HydrophobicContact CZ-CG2 3.75Å; F145-V149 WeakPolarHBondContact O-CG2 3.24Å; F145-V149 PolarHBondContact O-N 3.07Å; L146-V149 PolarHBondContact O-N 3.35Å; D147-V149 VanDerWaalsContact C-N 3.29Å; D147-V149 PolarHBondContact O-N 2.82Å; V149-E151 PolarHBondContact O-N 2.81Å; V149-T152 WeakPolarHBondContact O-CB 3.27Å; V149-T152 WeakPolarHBondContact O-CG2 3.38Å; V149-T152 PolarHBondContact O-N 2.87Å; V149-T152 VanDerWaalsContact O-N 3.08Å; V149-T152 PolarHBondContact O-OG1 2.84Å; V149-Y155 HydrophobicContact CG1-CD2 3.71Å; V149-Y155 HydrophobicContact CG1-CE2 4.46Å; V149-Y155 HydrophobicContact CG1-CG 4.16Å; V149-Y155 WeakPolarHBondContact O-CB 3.3Å; V149-E274 HydrophobicContact CB-CB 4.37Å; V149-E274 HydrophobicContact CG1-CB 3.98Å; V149-E274 HydrophobicContact CG2-CB 4.16Å; V149-I277 HydrophobicContact CG1-CG2 3.83Å; V149-I277 HydrophobicContact CG2-CG2 4.36Å
150	A	97.9	Very high	97.6	Very high	15 Å²	15	40.2 Å²	40.2	12%	0.124	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-28	-176.3	0	0	0	0	0	113.4	W28 L146 D147 T152 Y155 Q156	W28-A150 HydrophobicContact CH2-CB 4.14Å; W28-A150 HydrophobicContact CZ2-CB 3.93Å; L146-A150 VanDerWaalsContact O-CB 3.28Å; L146-A150 WeakPolarHBondContact O-CB 3.3Å; L146-A150 PolarHBondContact O-N 2.88Å; D147-A150 PolarHBondContact O-N 3.02Å; D147-A150 VanDerWaalsContact O-N 3.08Å; A150-T152 PolarHBondContact O-N 3.21Å; A150-Y155 VanDerWaalsContact CA-CD1 3.47Å; A150-Y155 HydrophobicContact CB-CD1 4.03Å; A150-Y155 HydrophobicContact CB-CE1 3.83Å; A150-Q156 PolarHBondContact O-NE2 3.42Å
151	E	97.9	Very high	97.8	Very high	167 Å²	167	37.4 Å²	37.4	78%	0.78	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.2	175.4	-70.3	-58.4	137.2	0	0	114	D147 V149	D147-E151 WeakPolarHBondContact O-CG 3.33Å; D147-E151 PolarHBondContact O-N 3.39Å; V149-E151 PolarHBondContact O-N 2.81Å
152	T	98.7	Very high	97.8	Very high	18 Å²	18	35.3 Å²	35.3	11%	0.11	19%	0.191	C	C	.	.	S	Bend	trans	-89.5	144.2	-176.2	71.1	0	0	0	0	112.8	T113 A148 V149 A150 V154 Y155 Q156 E274	T113-T152 HydrophobicContact CG2-CG2 3.97Å; A148-T152 WeakPolarHBondContact O-CG2 3.17Å; V149-T152 WeakPolarHBondContact O-CB 3.27Å; V149-T152 WeakPolarHBondContact O-CG2 3.38Å; V149-T152 PolarHBondContact O-N 2.87Å; V149-T152 VanDerWaalsContact O-N 3.08Å; V149-T152 PolarHBondContact O-OG1 2.84Å; A150-T152 PolarHBondContact O-N 3.21Å; T152-V154 PolarHBondContact O-N 2.77Å; T152-Y155 PolarHBondContact O-N 3.08Å; T152-Y155 PolarHBondContact OG1-N 3.16Å; T152-Q156 WeakPolarHBondContact O-CG 3.27Å; T152-Q156 PolarHBondContact O-N 2.9Å; T152-Q156 VanDerWaalsContact O-N 3.12Å; T152-E274 HydrophobicContact CG2-CB 4.02Å; T152-E274 HydrophobicContact CG2-CG 3.74Å; T152-E274 WeakPolarHBondContact OG1-CB 3.44Å
153	D	98.7	Very high	97.7	Very high	111 Å²	111	37 Å²	37	59%	0.594	20%	0.198	S	C	*	.	H	α-helix	trans	-58.3	-33	173.1	-76.1	-21.1	0	0	0	112.1	A69 Q156 L157	A69-D153 HydrophobicContact CB-CB 3.86Å; D153-Q156 PolarHBondContact O-N 3.29Å; D153-L157 WeakPolarHBondContact O-CB 3.46Å; D153-L157 VanDerWaalsContact O-CG 3.25Å; D153-L157 WeakPolarHBondContact O-CG 3.21Å; D153-L157 PolarHBondContact O-N 3.14Å
154	V	98.8	Very high	97.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-57.3	-52.1	176.1	176.2	0	0	0	0	111	M66 A69 D70 T152 L157 M158 E274 F275	M66-V154 HydrophobicContact CB-CG1 4.15Å; M66-V154 HydrophobicContact CG-CG1 4.24Å; M66-V154 HydrophobicContact SD-CG1 4.26Å; A69-V154 HydrophobicContact CB-CG2 4.01Å; D70-V154 HydrophobicContact CB-CG2 3.97Å; T152-V154 PolarHBondContact O-N 2.77Å; V154-L157 PolarHBondContact O-N 3.44Å; V154-M158 PolarHBondContact O-N 3.37Å; V154-E274 HydrophobicContact CB-CG 4.14Å; V154-E274 HydrophobicContact CG1-CG 4.43Å; V154-E274 HydrophobicContact CG2-CG 4.35Å; V154-F275 HydrophobicContact CG1-CB 4.32Å; V154-F275 HydrophobicContact CG1-CD2 4.37Å
155	Y	98.7	Very high	97.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-41.7	177.8	177.8	-94.8	0	0	0	111.7	V149 A150 T152 L157 M158 K159 F175 F179	V149-Y155 HydrophobicContact CG1-CD2 3.71Å; V149-Y155 HydrophobicContact CG1-CE2 4.46Å; V149-Y155 HydrophobicContact CG1-CG 4.16Å; V149-Y155 WeakPolarHBondContact O-CB 3.3Å; A150-Y155 VanDerWaalsContact CA-CD1 3.47Å; A150-Y155 HydrophobicContact CB-CD1 4.03Å; A150-Y155 HydrophobicContact CB-CE1 3.83Å; T152-Y155 PolarHBondContact O-N 3.08Å; T152-Y155 PolarHBondContact OG1-N 3.16Å; Y155-L157 VanDerWaalsContact C-N 3.33Å; Y155-L157 PolarHBondContact O-N 3.16Å; Y155-M158 HydrophobicContact CD2-CE 3.48Å; Y155-M158 VanDerWaalsContact CD2-CE 3.48Å; Y155-M158 HydrophobicContact CE2-CE 3.62Å; Y155-M158 HydrophobicContact CG-CE 4.29Å; Y155-M158 PolarHBondContact O-N 3.32Å; Y155-K159 HydrophobicContact CD1-CD 4.47Å; Y155-K159 HydrophobicContact CE1-CB 4.36Å; Y155-K159 HydrophobicContact CE1-CD 3.81Å; Y155-K159 VanDerWaalsContact O-CB 3.28Å; Y155-K159 WeakPolarHBondContact O-CB 3.1Å; Y155-K159 PolarHBondContact O-N 3.08Å; Y155-F175 HydrophobicContact CE2-CE1 4.34Å; Y155-F175 AromaticContact CZ-CE1 3.89Å; Y155-F175 VanDerWaalsContact OH-CE1 3.3Å; Y155-F175 WeakPolarHBondContact OH-CE1 3.32Å; Y155-F179 HydrophobicContact CD2-CZ 4.46Å; Y155-F179 HydrophobicContact CE2-CD2 4.27Å; Y155-F179 HydrophobicContact CE2-CE1 4.22Å; Y155-F179 AromaticContact CE2-CE2 3.92Å; Y155-F179 HydrophobicContact CE2-CE2 3.92Å; Y155-F179 AromaticContact CE2-CZ 3.89Å; Y155-F179 HydrophobicContact CE2-CZ 3.89Å
156	Q	98.6	Very high	97	Very high	76 Å²	76	45.9 Å²	45.9	36%	0.355	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-36.3	-179.7	-63.8	-60	-31.5	0	0	112.6	A150 T152 D153 S160	A150-Q156 PolarHBondContact O-NE2 3.42Å; T152-Q156 WeakPolarHBondContact O-CG 3.27Å; T152-Q156 PolarHBondContact O-N 2.9Å; T152-Q156 VanDerWaalsContact O-N 3.12Å; D153-Q156 PolarHBondContact O-N 3.29Å; Q156-S160 VanDerWaalsContact O-CB 3.23Å; Q156-S160 WeakPolarHBondContact O-CB 3.16Å; Q156-S160 PolarHBondContact O-N 3.29Å; Q156-S160 PolarHBondContact O-OG 2.8Å
157	L	98.8	Very high	96.5	Very high	55 Å²	55	46.5 Å²	46.5	29%	0.288	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-49.3	173.3	-75.3	167.2	0	0	0	111.4	L62 K65 M66 A69 D153 V154 Y155 F161	L62-L157 HydrophobicContact CD1-CB 3.98Å; K65-L157 HydrophobicContact CB-CD1 4.02Å; K65-L157 HydrophobicContact CB-CD2 4.45Å; M66-L157 HydrophobicContact CG-CB 4.15Å; M66-L157 HydrophobicContact CG-CD1 4.33Å; A69-L157 HydrophobicContact CB-CD1 3.79Å; D153-L157 WeakPolarHBondContact O-CB 3.46Å; D153-L157 VanDerWaalsContact O-CG 3.25Å; D153-L157 WeakPolarHBondContact O-CG 3.21Å; D153-L157 PolarHBondContact O-N 3.14Å; V154-L157 PolarHBondContact O-N 3.44Å; Y155-L157 VanDerWaalsContact C-N 3.33Å; Y155-L157 PolarHBondContact O-N 3.16Å; L157-F161 WeakPolarHBondContact O-CB 3.42Å; L157-F161 PolarHBondContact O-N 3.08Å
158	M	98.4	Very high	96.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-51.5	177.3	175.5	-81.1	-66.1	0	0	111.2	M66 V154 Y155 S160 F161 L162 F175 F179 T281 L282	M66-M158 HydrophobicContact SD-CB 3.92Å; V154-M158 PolarHBondContact O-N 3.37Å; Y155-M158 HydrophobicContact CD2-CE 3.48Å; Y155-M158 VanDerWaalsContact CD2-CE 3.48Å; Y155-M158 HydrophobicContact CE2-CE 3.62Å; Y155-M158 HydrophobicContact CG-CE 4.29Å; Y155-M158 PolarHBondContact O-N 3.32Å; M158-S160 PolarHBondContact O-N 2.71Å; M158-F161 WeakPolarHBondContact O-CB 3.36Å; M158-F161 PolarHBondContact O-N 3.29Å; M158-F161 VanDerWaalsContact O-N 3.16Å; M158-L162 HydrophobicContact CG-CD1 4.15Å; M158-L162 HydrophobicContact CG-CG 4.49Å; M158-L162 WeakPolarHBondContact O-CG 3.43Å; M158-L162 PolarHBondContact O-N 2.78Å; M158-L162 HydrophobicContact SD-CD1 3.23Å; M158-L162 WeakPolarHBondContact SD-CD1 3.01Å; M158-L162 HydrophobicContact SD-CG 4.02Å; M158-F175 HydrophobicContact CE-CZ 4.35Å; M158-F175 HydrophobicContact SD-CZ 4.09Å; M158-F179 HydrophobicContact CE-CD2 4.42Å; M158-F179 HydrophobicContact CE-CE2 3.8Å; M158-T281 HydrophobicContact CE-CG2 4.49Å; M158-T281 HydrophobicContact SD-CG2 4.11Å; M158-L282 HydrophobicContact CG-CB 4.47Å
159	K	98.2	Very high	95.9	Very high	16 Å²	16	42.8 Å²	42.8	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-55.6	-49.5	178.9	174.8	175.6	176.1	-174.5	0	111.8	Y155 F161 L162 Q163 T172 F175	Y155-K159 HydrophobicContact CD1-CD 4.47Å; Y155-K159 HydrophobicContact CE1-CB 4.36Å; Y155-K159 HydrophobicContact CE1-CD 3.81Å; Y155-K159 VanDerWaalsContact O-CB 3.28Å; Y155-K159 WeakPolarHBondContact O-CB 3.1Å; Y155-K159 PolarHBondContact O-N 3.08Å; K159-F161 VanDerWaalsContact C-N 3.31Å; K159-F161 PolarHBondContact O-N 3.06Å; K159-L162 PolarHBondContact O-N 3.26Å; K159-Q163 WeakPolarHBondContact O-CB 3.34Å; K159-Q163 VanDerWaalsContact O-CG 3.28Å; K159-Q163 WeakPolarHBondContact O-CG 3.24Å; K159-Q163 PolarHBondContact O-N 3.36Å; K159-T172 WeakPolarHBondContact CE-OG1 3.5Å; K159-T172 PolarHBondContact NZ-OG1 2.72Å; K159-F175 HydrophobicContact CB-CE1 4.2Å; K159-F175 HydrophobicContact CB-CE2 4.13Å; K159-F175 HydrophobicContact CB-CZ 3.77Å; K159-F175 HydrophobicContact CD-CD1 4.24Å; K159-F175 HydrophobicContact CD-CE1 4.22Å; K159-F175 HydrophobicContact CD-CZ 4.48Å; K159-F175 HydrophobicContact CG-CD1 4.2Å; K159-F175 HydrophobicContact CG-CD2 4.06Å; K159-F175 HydrophobicContact CG-CE1 3.96Å; K159-F175 HydrophobicContact CG-CE2 3.75Å; K159-F175 HydrophobicContact CG-CG 4.28Å; K159-F175 HydrophobicContact CG-CZ 3.72Å
160	S	97.9	Very high	95.5	Very high	66 Å²	66	51 Å²	51	46%	0.462	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-41	179.6	-62.7	0	0	0	0	111.9	Q156 M158 K164	Q156-S160 VanDerWaalsContact O-CB 3.23Å; Q156-S160 WeakPolarHBondContact O-CB 3.16Å; Q156-S160 PolarHBondContact O-N 3.29Å; Q156-S160 PolarHBondContact O-OG 2.8Å; M158-S160 PolarHBondContact O-N 2.71Å; S160-K164 VanDerWaalsContact O-CB 3.29Å; S160-K164 WeakPolarHBondContact O-CB 3.3Å; S160-K164 PolarHBondContact O-N 3.15Å
161	F	97.6	Very high	95.2	Very high	30 Å²	30	58.4 Å²	58.4	13%	0.132	28%	0.281	C	S	.	.	H	α-helix	trans	-64.7	-49.8	177.8	-179.6	-92.2	0	0	0	111.9	V54 E58 L62 L157 M158 K159 Q163 K164 K165 L282	V54-F161 HydrophobicContact CG1-CE1 4.06Å; V54-F161 HydrophobicContact CG1-CZ 3.85Å; V54-F161 HydrophobicContact CG2-CE1 3.95Å; V54-F161 HydrophobicContact CG2-CZ 4.08Å; E58-F161 HydrophobicContact CB-CE2 4.15Å; E58-F161 HydrophobicContact CB-CZ 4.04Å; L62-F161 HydrophobicContact CD1-CB 4.25Å; L62-F161 HydrophobicContact CD2-CB 3.62Å; L62-F161 HydrophobicContact CD2-CD1 3.65Å; L62-F161 HydrophobicContact CD2-CD2 4Å; L62-F161 HydrophobicContact CD2-CE1 4.26Å; L62-F161 HydrophobicContact CD2-CG 3.5Å; L157-F161 WeakPolarHBondContact O-CB 3.42Å; L157-F161 PolarHBondContact O-N 3.08Å; M158-F161 WeakPolarHBondContact O-CB 3.36Å; M158-F161 PolarHBondContact O-N 3.29Å; M158-F161 VanDerWaalsContact O-N 3.16Å; K159-F161 VanDerWaalsContact C-N 3.31Å; K159-F161 PolarHBondContact O-N 3.06Å; F161-Q163 VanDerWaalsContact C-N 3.34Å; F161-Q163 PolarHBondContact O-N 3.49Å; F161-K164 PolarHBondContact O-N 2.81Å; F161-K165 HydrophobicContact CD1-CG 4.13Å; F161-K165 HydrophobicContact CE1-CG 3.78Å; F161-K165 HydrophobicContact CE2-CG 4.25Å; F161-K165 HydrophobicContact CZ-CD 4.42Å; F161-K165 HydrophobicContact CZ-CG 3.85Å; F161-K165 WeakPolarHBondContact O-CB 3.23Å; F161-K165 WeakPolarHBondContact O-CG 3.46Å; F161-K165 PolarHBondContact O-N 3.46Å; F161-L282 HydrophobicContact CD1-CD1 3.81Å; F161-L282 HydrophobicContact CE1-CD1 3.71Å
162	L	95.2	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-41.7	179.7	-65.7	-179.9	0	0	0	111.4	M158 K159 K164 K165 G166 L167 M168 F175 T281 L282 L285	M158-L162 HydrophobicContact CG-CD1 4.15Å; M158-L162 HydrophobicContact CG-CG 4.49Å; M158-L162 WeakPolarHBondContact O-CG 3.43Å; M158-L162 PolarHBondContact O-N 2.78Å; M158-L162 HydrophobicContact SD-CD1 3.23Å; M158-L162 WeakPolarHBondContact SD-CD1 3.01Å; M158-L162 HydrophobicContact SD-CG 4.02Å; K159-L162 PolarHBondContact O-N 3.26Å; L162-K164 PolarHBondContact O-N 3.35Å; L162-K165 PolarHBondContact O-N 2.73Å; L162-G166 PolarHBondContact O-N 2.54Å; L162-G166 VanDerWaalsContact O-N 3.08Å; L162-L167 HydrophobicContact CB-CB 4.19Å; L162-L167 HydrophobicContact CD2-CB 3.74Å; L162-L167 HydrophobicContact CD2-CD1 3.74Å; L162-L167 HydrophobicContact CD2-CG 4.39Å; L162-L167 PolarHBondContact O-N 2.81Å; L162-M168 HydrophobicContact CB-CB 4.22Å; L162-M168 HydrophobicContact CB-CG 4.21Å; L162-M168 HydrophobicContact CB-SD 4.48Å; L162-M168 HydrophobicContact CD1-CG 4.01Å; L162-M168 HydrophobicContact CD1-SD 3.47Å; L162-M168 WeakPolarHBondContact CD1-SD 3.37Å; L162-F175 HydrophobicContact CB-CE2 4.25Å; L162-F175 HydrophobicContact CD1-CE2 4.33Å; L162-F175 HydrophobicContact CD1-CZ 4.31Å; L162-T281 HydrophobicContact CD1-CG2 4.07Å; L162-L282 HydrophobicContact CD2-CD1 4.06Å; L162-L285 HydrophobicContact CD1-CD1 3.51Å; L162-L285 HydrophobicContact CD2-CB 4.19Å; L162-L285 HydrophobicContact CD2-CD1 4Å; L162-L285 HydrophobicContact CG-CD1 4.36Å
163	Q	94.2	Very high	94.6	Very high	36 Å²	36	54.9 Å²	54.9	17%	0.168	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-41.4	175.3	-71.8	-177.2	-32.9	0	0	112.5	K159 F161 G166 P169 K170 F175	K159-Q163 WeakPolarHBondContact O-CB 3.34Å; K159-Q163 VanDerWaalsContact O-CG 3.28Å; K159-Q163 WeakPolarHBondContact O-CG 3.24Å; K159-Q163 PolarHBondContact O-N 3.36Å; F161-Q163 VanDerWaalsContact C-N 3.34Å; F161-Q163 PolarHBondContact O-N 3.49Å; Q163-G166 PolarHBondContact O-N 3.24Å; Q163-P169 WeakPolarHBondContact CG-O 3.33Å; Q163-P169 PolarHBondContact NE2-O 3.45Å; Q163-P169 VanDerWaalsContact NE2-O 3.08Å; Q163-K170 PolarHBondContact NE2-O 2.76Å; Q163-F175 HydrophobicContact CG-CD2 3.88Å; Q163-F175 HydrophobicContact CG-CE2 4.24Å
164	K	93.9	Very high	94.2	Very high	183 Å²	183	51.4 Å²	51.4	80%	0.796	25%	0.25	S	S	*	.	H	α-helix	trans	-65.2	-39.8	177.4	-179.3	-178.5	176.4	-173.9	0	111.9	S160 F161 L162 G166	S160-K164 VanDerWaalsContact O-CB 3.29Å; S160-K164 WeakPolarHBondContact O-CB 3.3Å; S160-K164 PolarHBondContact O-N 3.15Å; F161-K164 PolarHBondContact O-N 2.81Å; L162-K164 PolarHBondContact O-N 3.35Å; K164-G166 PolarHBondContact O-N 2.65Å
165	K	91.5	Very high	93.9	Very high	68 Å²	68	51.3 Å²	51.3	30%	0.296	25%	0.25	S	S	.	.	H	α-helix	trans	-75.7	-7.7	177.4	-71.8	-69.5	-180	172	0	113.5	V54 E58 F161 L162 L167	V54-K165 HydrophobicContact CG2-CB 4.24Å; V54-K165 HydrophobicContact CG2-CD 3.81Å; V54-K165 HydrophobicContact CG2-CG 3.84Å; E58-K165 VanDerWaalsContact OE1-CE 3.23Å; E58-K165 WeakPolarHBondContact OE1-CE 3.14Å; E58-K165 IonicContact OE1-NZ 2.68Å; E58-K165 PolarHBondContact OE1-NZ 3.45Å; E58-K165 WeakPolarHBondContact OE2-CE 3.46Å; E58-K165 IonicContact OE2-NZ 2.85Å; E58-K165 PolarHBondContact OE2-NZ 2.84Å; F161-K165 HydrophobicContact CD1-CG 4.13Å; F161-K165 HydrophobicContact CE1-CG 3.78Å; F161-K165 HydrophobicContact CE2-CG 4.25Å; F161-K165 HydrophobicContact CZ-CD 4.42Å; F161-K165 HydrophobicContact CZ-CG 3.85Å; F161-K165 WeakPolarHBondContact O-CB 3.23Å; F161-K165 WeakPolarHBondContact O-CG 3.46Å; F161-K165 PolarHBondContact O-N 3.46Å; L162-K165 PolarHBondContact O-N 2.73Å; K165-L167 HydrophobicContact CB-CD1 4.19Å; K165-L167 HydrophobicContact CB-CG 3.89Å
166	G	89.2	Confident	93.6	Very high	29 Å²	29	51.6 Å²	51.6	30%	0.299	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	45.4	-170.3	0	0	0	0	0	109.6	Y41 L162 Q163 K164	Y41-G166 WeakPolarHBondContact CE2-O 3.27Å; Y41-G166 PolarHBondContact OH-O 2.53Å; L162-G166 PolarHBondContact O-N 2.54Å; L162-G166 VanDerWaalsContact O-N 3.08Å; Q163-G166 PolarHBondContact O-N 3.24Å; K164-G166 PolarHBondContact O-N 2.65Å
167	L	88.9	Confident	93.2	Very high	13 Å²	13	49 Å²	49	7%	0.068	24%	0.239	C	C	.	.	S	Bend	trans	-95.5	-16.8	170.8	-70.1	-176.5	0	0	0	113.3	Y41 V54 L162 K165 L285	Y41-L167 VanDerWaalsContact CE1-O 3.24Å; Y41-L167 WeakPolarHBondContact CE1-O 3.34Å; Y41-L167 WeakPolarHBondContact OH-CA 2.9Å; Y41-L167 PolarHBondContact OH-O 2.93Å; V54-L167 HydrophobicContact CG2-CD1 3.71Å; L162-L167 HydrophobicContact CB-CB 4.19Å; L162-L167 HydrophobicContact CD2-CB 3.74Å; L162-L167 HydrophobicContact CD2-CD1 3.74Å; L162-L167 HydrophobicContact CD2-CG 4.39Å; L162-L167 PolarHBondContact O-N 2.81Å; K165-L167 HydrophobicContact CB-CD1 4.19Å; K165-L167 HydrophobicContact CB-CG 3.89Å; L167-L285 HydrophobicContact CB-CB 4.46Å; L167-L285 HydrophobicContact CD1-CB 4.35Å
168	M	90.9	Very high	92.9	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.03	23%	0.226	C	C	.	.	S	Bend	trans	-148.9	162	176.5	-73.7	-169.7	73.7	0	0	110.1	L162 K170 F175 V178 F179 M182 T281 L285	L162-M168 HydrophobicContact CB-CB 4.22Å; L162-M168 HydrophobicContact CB-CG 4.21Å; L162-M168 HydrophobicContact CB-SD 4.48Å; L162-M168 HydrophobicContact CD1-CG 4.01Å; L162-M168 HydrophobicContact CD1-SD 3.47Å; L162-M168 WeakPolarHBondContact CD1-SD 3.37Å; M168-K170 PolarHBondContact O-N 3.47Å; M168-F175 HydrophobicContact CB-CD2 3.49Å; M168-F175 VanDerWaalsContact CB-CD2 3.49Å; M168-F175 HydrophobicContact CB-CE2 3.54Å; M168-F175 HydrophobicContact CE-CD1 3.91Å; M168-F175 HydrophobicContact CE-CD2 3.74Å; M168-F175 HydrophobicContact CE-CE1 3.82Å; M168-F175 HydrophobicContact CE-CE2 3.68Å; M168-F175 HydrophobicContact CE-CG 3.85Å; M168-F175 HydrophobicContact CE-CZ 3.71Å; M168-F175 WeakPolarHBondContact CE-O 3.2Å; M168-F175 HydrophobicContact CG-CD2 4.25Å; M168-F175 HydrophobicContact CG-CE2 3.94Å; M168-F175 HydrophobicContact SD-CD2 3.82Å; M168-F175 HydrophobicContact SD-CE1 4.05Å; M168-F175 HydrophobicContact SD-CE2 3.2Å; M168-F175 WeakPolarHBondContact SD-CE2 3.28Å; M168-F175 HydrophobicContact SD-CG 4.47Å; M168-F175 HydrophobicContact SD-CZ 3.32Å; M168-F175 WeakPolarHBondContact SD-CZ 3.43Å; M168-V178 HydrophobicContact CE-CB 3.91Å; M168-V178 HydrophobicContact CE-CG1 3.86Å; M168-F179 HydrophobicContact CE-CB 4.02Å; M168-M182 HydrophobicContact CE-SD 4.47Å; M168-T281 HydrophobicContact SD-CG2 4.49Å; M168-L285 HydrophobicContact CG-CD1 3.58Å; M168-L285 HydrophobicContact SD-CD1 3.63Å
169	P	90.8	Very high	92.7	Very high	8 Å²	8	46.6 Å²	46.6	5%	0.052	23%	0.226	C	C	.	.			trans	-54.5	135.2	-179.9	-28.1	35.4	0	0	0	113.9	Q163 R171 R174 V178	Q163-P169 WeakPolarHBondContact CG-O 3.33Å; Q163-P169 PolarHBondContact NE2-O 3.45Å; Q163-P169 VanDerWaalsContact NE2-O 3.08Å; P169-R171 PolarHBondContact O-N 2.79Å; P169-R174 HydrophobicContact CB-CB 3.56Å; P169-R174 HydrophobicContact CG-CB 4.02Å; P169-V178 HydrophobicContact CG-CG2 3.93Å
170	K	91.1	Very high	92.5	Very high	172 Å²	172	46 Å²	46	75%	0.748	22%	0.224	S	C	*	.	S	Bend	trans	-64.7	-24.4	179.2	-68.2	-178.5	179.5	176.1	0	113.8	Q163 M168	Q163-K170 PolarHBondContact NE2-O 2.76Å; M168-K170 PolarHBondContact O-N 3.47Å
171	R	92	Very high	92.1	Very high	171 Å²	171	44.5 Å²	44.5	65%	0.645	21%	0.209	S	C	*	.	S	Bend	trans	-92.4	126.8	-179.7	-66.7	-174.5	176.3	-177.6	0.5	110.1	P169 R174 F175	P169-R171 PolarHBondContact O-N 2.79Å; R171-R174 PolarHBondContact O-N 2.91Å; R171-F175 PolarHBondContact O-N 3.16Å
172	T	91.9	Very high	91.9	Very high	55 Å²	55	43.2 Å²	43.2	34%	0.337	20%	0.203	S	C	.	.	H	α-helix	trans	-49	-48.8	-178	-65.9	0	0	0	0	114.4	K159 R174 F175 N176	K159-T172 WeakPolarHBondContact CE-OG1 3.5Å; K159-T172 PolarHBondContact NZ-OG1 2.72Å; T172-R174 PolarHBondContact O-N 3.38Å; T172-F175 WeakPolarHBondContact O-CB 3.42Å; T172-F175 PolarHBondContact O-N 3.35Å; T172-F175 VanDerWaalsContact O-N 3.13Å; T172-N176 PolarHBondContact O-N 3.46Å; T172-N176 PolarHBondContact O-OD1 2.96Å
173	P	90.8	Very high	91.9	Very high	57 Å²	57	43.2 Å²	43.2	37%	0.37	20%	0.203	S	C	.	.	H	α-helix	trans	-61.5	-32.5	-178.6	-25.9	35.9	0	0	0	113.8	S30 K177	S30-P173 WeakPolarHBondContact CB-O 3.5Å; S30-P173 WeakPolarHBondContact OG-CB 3.29Å; P173-K177 PolarHBondContact O-N 2.85Å; P173-K177 VanDerWaalsContact O-N 3.17Å
174	R	90.1	Very high	91.9	Very high	37 Å²	37	41.6 Å²	41.6	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-78.5	-37.4	176.9	-68.3	169.6	174.7	-173.5	12.6	111.8	T35 D38 P169 R171 T172 K177 V178	T35-R174 VanDerWaalsContact CG2-CZ 3.46Å; T35-R174 PolarHBondContact OG1-NH1 3.06Å; D38-R174 IonicContact OD1-NH1 2.84Å; D38-R174 PolarHBondContact OD1-NH1 3.1Å; D38-R174 WeakPolarHBondContact OD2-CD 3.13Å; D38-R174 IonicContact OD2-CZ 3.96Å; D38-R174 IonicContact OD2-NE 3.35Å; D38-R174 PolarHBondContact OD2-NE 3.37Å; D38-R174 IonicContact OD2-NH1 3.95Å; D38-R174 PolarHBondContact OD2-NH1 3.32Å; P169-R174 HydrophobicContact CB-CB 3.56Å; P169-R174 HydrophobicContact CG-CB 4.02Å; R171-R174 PolarHBondContact O-N 2.91Å; T172-R174 PolarHBondContact O-N 3.38Å; R174-K177 PolarHBondContact O-N 3.24Å; R174-V178 WeakPolarHBondContact O-CG2 3.16Å; R174-V178 PolarHBondContact O-N 3.29Å
175	F	93.1	Very high	91.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-55.8	-52.7	171	-176.4	-75.9	0	0	0	110.1	Y155 M158 K159 L162 Q163 M168 R171 T172 K177 V178 F179	Y155-F175 HydrophobicContact CE2-CE1 4.34Å; Y155-F175 AromaticContact CZ-CE1 3.89Å; Y155-F175 VanDerWaalsContact OH-CE1 3.3Å; Y155-F175 WeakPolarHBondContact OH-CE1 3.32Å; M158-F175 HydrophobicContact CE-CZ 4.35Å; M158-F175 HydrophobicContact SD-CZ 4.09Å; K159-F175 HydrophobicContact CB-CE1 4.2Å; K159-F175 HydrophobicContact CB-CE2 4.13Å; K159-F175 HydrophobicContact CB-CZ 3.77Å; K159-F175 HydrophobicContact CD-CD1 4.24Å; K159-F175 HydrophobicContact CD-CE1 4.22Å; K159-F175 HydrophobicContact CD-CZ 4.48Å; K159-F175 HydrophobicContact CG-CD1 4.2Å; K159-F175 HydrophobicContact CG-CD2 4.06Å; K159-F175 HydrophobicContact CG-CE1 3.96Å; K159-F175 HydrophobicContact CG-CE2 3.75Å; K159-F175 HydrophobicContact CG-CG 4.28Å; K159-F175 HydrophobicContact CG-CZ 3.72Å; L162-F175 HydrophobicContact CB-CE2 4.25Å; L162-F175 HydrophobicContact CD1-CE2 4.33Å; L162-F175 HydrophobicContact CD1-CZ 4.31Å; Q163-F175 HydrophobicContact CG-CD2 3.88Å; Q163-F175 HydrophobicContact CG-CE2 4.24Å; M168-F175 HydrophobicContact CB-CD2 3.49Å; M168-F175 VanDerWaalsContact CB-CD2 3.49Å; M168-F175 HydrophobicContact CB-CE2 3.54Å; M168-F175 HydrophobicContact CE-CD1 3.91Å; M168-F175 HydrophobicContact CE-CD2 3.74Å; M168-F175 HydrophobicContact CE-CE1 3.82Å; M168-F175 HydrophobicContact CE-CE2 3.68Å; M168-F175 HydrophobicContact CE-CG 3.85Å; M168-F175 HydrophobicContact CE-CZ 3.71Å; M168-F175 WeakPolarHBondContact CE-O 3.2Å; M168-F175 HydrophobicContact CG-CD2 4.25Å; M168-F175 HydrophobicContact CG-CE2 3.94Å; M168-F175 HydrophobicContact SD-CD2 3.82Å; M168-F175 HydrophobicContact SD-CE1 4.05Å; M168-F175 HydrophobicContact SD-CE2 3.2Å; M168-F175 WeakPolarHBondContact SD-CE2 3.28Å; M168-F175 HydrophobicContact SD-CG 4.47Å; M168-F175 HydrophobicContact SD-CZ 3.32Å; M168-F175 WeakPolarHBondContact SD-CZ 3.43Å; R171-F175 PolarHBondContact O-N 3.16Å; T172-F175 WeakPolarHBondContact O-CB 3.42Å; T172-F175 PolarHBondContact O-N 3.35Å; T172-F175 VanDerWaalsContact O-N 3.13Å; F175-K177 VanDerWaalsContact C-N 3.3Å; F175-K177 PolarHBondContact O-N 3.2Å; F175-V178 PolarHBondContact O-N 3.16Å; F175-V178 VanDerWaalsContact O-N 3.15Å; F175-F179 HydrophobicContact CD1-CB 4.41Å; F175-F179 HydrophobicContact CE1-CB 4.26Å; F175-F179 HydrophobicContact CE1-CD2 4.13Å; F175-F179 HydrophobicContact CE1-CG 4.45Å; F175-F179 WeakPolarHBondContact O-CB 3.35Å; F175-F179 PolarHBondContact O-N 2.93Å
176	N	93.3	Very high	91.4	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.027	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-41.1	-179.2	-68	5.2	0	0	0	111.2	E27 W28 T172 F179 F180	E27-N176 VanDerWaalsContact O-CB 3.27Å; E27-N176 WeakPolarHBondContact O-CB 3.34Å; W28-N176 HydrophobicContact CD2-CB 4.25Å; W28-N176 HydrophobicContact CE3-CB 3.7Å; W28-N176 HydrophobicContact CZ3-CB 3.98Å; T172-N176 PolarHBondContact O-N 3.46Å; T172-N176 PolarHBondContact O-OD1 2.96Å; N176-F179 PolarHBondContact O-N 3.5Å; N176-F180 WeakPolarHBondContact O-CB 3.48Å; N176-F180 PolarHBondContact O-N 2.78Å
177	K	90	Very high	91	Very high	23 Å²	23	32.6 Å²	32.6	10%	0.1	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-43.2	175	-173.3	170.3	-172.3	160.3	0	113.4	W28 S30 L34 P173 R174 F175 K181	W28-K177 VanDerWaalsContact O-CA 3.3Å; W28-K177 WeakPolarHBondContact O-CA 3.49Å; S30-K177 PolarHBondContact O-NZ 3.27Å; L34-K177 HydrophobicContact CD2-CD 4.45Å; P173-K177 PolarHBondContact O-N 2.85Å; P173-K177 VanDerWaalsContact O-N 3.17Å; R174-K177 PolarHBondContact O-N 3.24Å; F175-K177 VanDerWaalsContact C-N 3.3Å; F175-K177 PolarHBondContact O-N 3.2Å; K177-K181 WeakPolarHBondContact O-CG 3.49Å; K177-K181 PolarHBondContact O-N 3.21Å; K177-K181 VanDerWaalsContact O-N 3.07Å
178	V	91.1	Very high	90.1	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	16%	0.16	C	C	.	.	H	α-helix	trans	-68.2	-45	176	174.8	0	0	0	0	110.3	L34 M42 M168 P169 R174 F175 F180 K181 M182	L34-V178 HydrophobicContact CD2-CG2 4.08Å; M42-V178 HydrophobicContact CE-CG1 4.03Å; M42-V178 HydrophobicContact CE-CG2 4.32Å; M42-V178 HydrophobicContact SD-CB 4.43Å; M42-V178 HydrophobicContact SD-CG1 3.58Å; M42-V178 VanDerWaalsContact SD-CG1 3.58Å; M42-V178 HydrophobicContact SD-CG2 3.9Å; M168-V178 HydrophobicContact CE-CB 3.91Å; M168-V178 HydrophobicContact CE-CG1 3.86Å; P169-V178 HydrophobicContact CG-CG2 3.93Å; R174-V178 WeakPolarHBondContact O-CG2 3.16Å; R174-V178 PolarHBondContact O-N 3.29Å; F175-V178 PolarHBondContact O-N 3.16Å; F175-V178 VanDerWaalsContact O-N 3.15Å; V178-F180 VanDerWaalsContact C-N 3.33Å; V178-F180 PolarHBondContact O-N 3.2Å; V178-K181 CarbonylContact O-C 3.57Å; V178-K181 PolarHBondContact O-N 2.93Å; V178-K181 VanDerWaalsContact O-N 3.08Å; V178-M182 HydrophobicContact CG1-CG 4.3Å; V178-M182 HydrophobicContact CG1-SD 4.24Å; V178-M182 VanDerWaalsContact O-CG 3.32Å; V178-M182 WeakPolarHBondContact O-CG 3.42Å; V178-M182 PolarHBondContact O-N 3.01Å
179	F	94.8	Very high	88.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.4	-45.7	177.6	-169.1	-91.5	0	0	0	111.8	W28 L146 Y155 M158 M168 F175 N176 K181 M182 W183 I277 T281	W28-F179 HydrophobicContact CH2-CD1 4.44Å; W28-F179 HydrophobicContact CZ3-CB 4.34Å; W28-F179 AromaticContact CZ3-CD1 3.69Å; W28-F179 HydrophobicContact CZ3-CD1 3.69Å; W28-F179 HydrophobicContact CZ3-CE1 4.43Å; W28-F179 HydrophobicContact CZ3-CG 4.32Å; L146-F179 HydrophobicContact CD2-CD1 3.89Å; L146-F179 HydrophobicContact CD2-CE1 3.62Å; Y155-F179 HydrophobicContact CD2-CZ 4.46Å; Y155-F179 HydrophobicContact CE2-CD2 4.27Å; Y155-F179 HydrophobicContact CE2-CE1 4.22Å; Y155-F179 AromaticContact CE2-CE2 3.92Å; Y155-F179 HydrophobicContact CE2-CE2 3.92Å; Y155-F179 AromaticContact CE2-CZ 3.89Å; Y155-F179 HydrophobicContact CE2-CZ 3.89Å; M158-F179 HydrophobicContact CE-CD2 4.42Å; M158-F179 HydrophobicContact CE-CE2 3.8Å; M168-F179 HydrophobicContact CE-CB 4.02Å; F175-F179 HydrophobicContact CD1-CB 4.41Å; F175-F179 HydrophobicContact CE1-CB 4.26Å; F175-F179 HydrophobicContact CE1-CD2 4.13Å; F175-F179 HydrophobicContact CE1-CG 4.45Å; F175-F179 WeakPolarHBondContact O-CB 3.35Å; F175-F179 PolarHBondContact O-N 2.93Å; N176-F179 PolarHBondContact O-N 3.5Å; F179-K181 PolarHBondContact O-N 3.2Å; F179-M182 PolarHBondContact O-N 2.91Å; F179-W183 AromaticContact CE1-CD1 3.76Å; F179-W183 AromaticContact CE2-NE1 3.81Å; F179-W183 AromaticContact CZ-CD1 3.74Å; F179-W183 AromaticContact CZ-NE1 3.73Å; F179-W183 PolarHBondContact O-N 2.74Å; F179-I277 HydrophobicContact CE1-CD1 4.06Å; F179-I277 HydrophobicContact CZ-CD1 3.91Å; F179-I277 HydrophobicContact CZ-CG1 3.98Å; F179-T281 HydrophobicContact CD2-CG2 4.01Å; F179-T281 HydrophobicContact CE2-CG2 3.82Å; F179-T281 VanDerWaalsContact CE2-OG1 3.3Å; F179-T281 WeakPolarHBondContact CE2-OG1 3.35Å
180	F	93.8	Very high	86.6	Confident	3 Å²	3	43.6 Å²	43.6	1%	0.013	21%	0.213	C	C	.	.	H	α-helix	trans	-57.6	-48.8	173.3	178.9	-87.7	0	0	0	111.1	W28 Y29 I142 L146 N176 V178 M182 W183 F184	W28-F180 HydrophobicContact CB-CB 4.46Å; W28-F180 HydrophobicContact CB-CD2 4.32Å; Y29-F180 HydrophobicContact CD1-CD1 4.28Å; Y29-F180 HydrophobicContact CD1-CE1 4.22Å; Y29-F180 HydrophobicContact CD1-CZ 4.45Å; Y29-F180 AromaticContact CE1-CD1 3.76Å; Y29-F180 HydrophobicContact CE1-CD1 3.76Å; Y29-F180 AromaticContact CE1-CD2 3.98Å; Y29-F180 HydrophobicContact CE1-CD2 3.98Å; Y29-F180 AromaticContact CE1-CE1 3.35Å; Y29-F180 HydrophobicContact CE1-CE1 3.35Å; Y29-F180 AromaticContact CE1-CE2 3.58Å; Y29-F180 HydrophobicContact CE1-CE2 3.58Å; Y29-F180 HydrophobicContact CE1-CG 4.08Å; Y29-F180 AromaticContact CE1-CZ 3.26Å; Y29-F180 HydrophobicContact CE1-CZ 3.26Å; Y29-F180 HydrophobicContact CE2-CE2 4.44Å; Y29-F180 AromaticContact CZ-CD2 3.98Å; Y29-F180 AromaticContact CZ-CE2 3.41Å; Y29-F180 VanDerWaalsContact CZ-CE2 3.41Å; Y29-F180 AromaticContact CZ-CZ 3.48Å; Y29-F180 VanDerWaalsContact CZ-CZ 3.48Å; Y29-F180 WeakPolarHBondContact OH-CE2 3.42Å; Y29-F180 WeakPolarHBondContact OH-CZ 3.36Å; I142-F180 HydrophobicContact CG2-CE2 3.97Å; L146-F180 HydrophobicContact CD1-CD2 3.78Å; L146-F180 HydrophobicContact CD1-CE2 4.43Å; N176-F180 WeakPolarHBondContact O-CB 3.48Å; N176-F180 PolarHBondContact O-N 2.78Å; V178-F180 VanDerWaalsContact C-N 3.33Å; V178-F180 PolarHBondContact O-N 3.2Å; F180-M182 VanDerWaalsContact C-N 3.29Å; F180-M182 PolarHBondContact O-N 2.87Å; F180-W183 PolarHBondContact O-N 3.31Å; F180-F184 HydrophobicContact CD2-CB 4.04Å; F180-F184 HydrophobicContact CD2-CD2 4.14Å; F180-F184 HydrophobicContact CD2-CG 4.39Å; F180-F184 HydrophobicContact CE1-CB 4.07Å; F180-F184 HydrophobicContact CE2-CB 3.53Å; F180-F184 HydrophobicContact CE2-CD2 4.2Å; F180-F184 HydrophobicContact CE2-CG 4.02Å; F180-F184 HydrophobicContact CG-CB 4.49Å; F180-F184 HydrophobicContact CZ-CB 3.53Å; F180-F184 HydrophobicContact CZ-CG 4.47Å; F180-F184 PolarHBondContact O-N 3.13Å
181	K	90.8	Very high	84.7	Confident	36 Å²	36	43.2 Å²	43.2	16%	0.157	22%	0.219	C	C	.	.	H	α-helix	trans	-63.8	-32.4	179.2	-74.4	-174	-178.4	-145.2	0	113.3	E22 K177 V178 F179 K185 P313	E22-K181 VanDerWaalsContact CD-NZ 3.28Å; E22-K181 WeakPolarHBondContact OE1-CE 3.47Å; E22-K181 IonicContact OE1-NZ 3.19Å; E22-K181 PolarHBondContact OE1-NZ 2.66Å; E22-K181 IonicContact OE2-NZ 3.4Å; E22-K181 PolarHBondContact OE2-NZ 3.47Å; K177-K181 WeakPolarHBondContact O-CG 3.49Å; K177-K181 PolarHBondContact O-N 3.21Å; K177-K181 VanDerWaalsContact O-N 3.07Å; V178-K181 CarbonylContact O-C 3.57Å; V178-K181 PolarHBondContact O-N 2.93Å; V178-K181 VanDerWaalsContact O-N 3.08Å; F179-K181 PolarHBondContact O-N 3.2Å; K181-K185 HydrophobicContact CB-CB 4.4Å; K181-K185 WeakPolarHBondContact O-CB 3.32Å; K181-P313 HydrophobicContact CB-CG 4.07Å
182	M	92.6	Very high	82.8	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-43.9	176.1	-70.2	176	66.7	0	0	111.7	M168 V178 F179 F180 T281 M284 L285 P313 V315	M168-M182 HydrophobicContact CE-SD 4.47Å; V178-M182 HydrophobicContact CG1-CG 4.3Å; V178-M182 HydrophobicContact CG1-SD 4.24Å; V178-M182 VanDerWaalsContact O-CG 3.32Å; V178-M182 WeakPolarHBondContact O-CG 3.42Å; V178-M182 PolarHBondContact O-N 3.01Å; F179-M182 PolarHBondContact O-N 2.91Å; F180-M182 VanDerWaalsContact C-N 3.29Å; F180-M182 PolarHBondContact O-N 2.87Å; M182-T281 HydrophobicContact CE-CG2 4Å; M182-T281 HydrophobicContact SD-CG2 4.37Å; M182-M284 HydrophobicContact CE-CB 4.43Å; M182-M284 HydrophobicContact CE-CG 4.25Å; M182-L285 HydrophobicContact CE-CD1 4.12Å; M182-L285 HydrophobicContact CE-CD2 3.8Å; M182-L285 HydrophobicContact CE-CG 3.86Å; M182-L285 HydrophobicContact SD-CD1 4.24Å; M182-L285 HydrophobicContact SD-CD2 4.15Å; M182-L285 HydrophobicContact SD-CG 4.47Å; M182-P313 WeakPolarHBondContact CA-O 2.88Å; M182-P313 HydrophobicContact CG-CB 3.86Å; M182-P313 WeakPolarHBondContact CG-O 3.33Å; M182-V315 HydrophobicContact CB-CG2 4.37Å; M182-V315 PolarHBondContact O-N 2.66Å
183	W	95.5	Very high	81.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-97.3	-37.6	-170.2	-72.7	108.6	0	0	0	114.2	F179 F180 S197 G198 F199 V202 F203 I277 Y280 T281 V315 T318	F179-W183 AromaticContact CE1-CD1 3.76Å; F179-W183 AromaticContact CE2-NE1 3.81Å; F179-W183 AromaticContact CZ-CD1 3.74Å; F179-W183 AromaticContact CZ-NE1 3.73Å; F179-W183 PolarHBondContact O-N 2.74Å; F180-W183 PolarHBondContact O-N 3.31Å; W183-S197 WeakPolarHBondContact O-CB 3.03Å; W183-G198 PolarHBondContact O-N 3.46Å; W183-F199 HydrophobicContact CB-CB 4.32Å; W183-F199 HydrophobicContact CE3-CB 4.37Å; W183-F199 VanDerWaalsContact O-CB 3.25Å; W183-F199 WeakPolarHBondContact O-CB 3.44Å; W183-F199 PolarHBondContact O-N 2.94Å; W183-V202 HydrophobicContact CZ3-CB 4.1Å; W183-V202 HydrophobicContact CZ3-CG1 4.28Å; W183-V202 HydrophobicContact CZ3-CG2 4.18Å; W183-F203 HydrophobicContact CE3-CE2 4.21Å; W183-F203 AromaticContact CH2-CE2 3.88Å; W183-F203 HydrophobicContact CH2-CE2 3.88Å; W183-F203 HydrophobicContact CZ3-CD2 4.12Å; W183-F203 AromaticContact CZ3-CE2 3.64Å; W183-F203 HydrophobicContact CZ3-CE2 3.64Å; W183-I277 HydrophobicContact CD2-CD1 4.08Å; W183-I277 HydrophobicContact CD2-CG1 3.98Å; W183-I277 VanDerWaalsContact CE2-CG1 3.48Å; W183-I277 HydrophobicContact CG-CD1 4.09Å; W183-I277 HydrophobicContact CG-CG1 4.39Å; W183-I277 HydrophobicContact CH2-CG1 4.34Å; W183-I277 HydrophobicContact CZ2-CG1 3.69Å; W183-Y280 HydrophobicContact CH2-CD2 4.21Å; W183-Y280 HydrophobicContact CH2-CG 4.46Å; W183-T281 PolarHBondContact NE1-OG1 3.36Å; W183-V315 HydrophobicContact CD2-CG2 4.47Å; W183-V315 HydrophobicContact CE3-CG2 4.44Å; W183-V315 HydrophobicContact CH2-CG2 4.49Å; W183-V315 HydrophobicContact CZ3-CG1 4.2Å; W183-V315 HydrophobicContact CZ3-CG2 4.45Å; W183-T318 HydrophobicContact CH2-CG2 3.92Å; W183-T318 HydrophobicContact CZ3-CG2 4.47Å
184	F	93	Very high	80.1	Confident	3 Å²	3	42.9 Å²	42.9	1%	0.013	23%	0.23	C	C	.	.	H	α-helix	trans	-117.3	-4	-168.2	-66.7	-78.7	0	0	0	114.1	I18 L120 F124 I142 F145 L146 F180 L186 F199	I18-F184 VanDerWaalsContact CD1-O 3.26Å; I18-F184 WeakPolarHBondContact CD1-O 3.47Å; L120-F184 HydrophobicContact CD1-CZ 4.5Å; F124-F184 AromaticContact CZ-CD1 4Å; F124-F184 HydrophobicContact CZ-CD1 4Å; F124-F184 HydrophobicContact CZ-CE1 4.09Å; I142-F184 HydrophobicContact CB-CE1 4.48Å; I142-F184 HydrophobicContact CD1-CD1 4.12Å; I142-F184 HydrophobicContact CD1-CE1 4.46Å; I142-F184 HydrophobicContact CG1-CD1 4.19Å; I142-F184 HydrophobicContact CG1-CE1 4.05Å; I142-F184 HydrophobicContact CG2-CD1 3.76Å; I142-F184 HydrophobicContact CG2-CD2 4.04Å; I142-F184 HydrophobicContact CG2-CE1 3.76Å; I142-F184 HydrophobicContact CG2-CE2 4.05Å; I142-F184 HydrophobicContact CG2-CG 3.9Å; I142-F184 HydrophobicContact CG2-CZ 3.91Å; F145-F184 HydrophobicContact CD1-CZ 4.07Å; F145-F184 HydrophobicContact CE1-CZ 4.34Å; L146-F184 HydrophobicContact CD1-CD2 4.1Å; L146-F184 HydrophobicContact CD1-CE2 3.96Å; L146-F184 HydrophobicContact CD2-CD2 4.38Å; L146-F184 HydrophobicContact CD2-CE2 3.69Å; L146-F184 HydrophobicContact CG-CE2 3.89Å; F180-F184 HydrophobicContact CD2-CB 4.04Å; F180-F184 HydrophobicContact CD2-CD2 4.14Å; F180-F184 HydrophobicContact CD2-CG 4.39Å; F180-F184 HydrophobicContact CE1-CB 4.07Å; F180-F184 HydrophobicContact CE2-CB 3.53Å; F180-F184 HydrophobicContact CE2-CD2 4.2Å; F180-F184 HydrophobicContact CE2-CG 4.02Å; F180-F184 HydrophobicContact CG-CB 4.49Å; F180-F184 HydrophobicContact CZ-CB 3.53Å; F180-F184 HydrophobicContact CZ-CG 4.47Å; F180-F184 PolarHBondContact O-N 3.13Å; F184-L186 PolarHBondContact O-N 3.36Å; F184-F199 HydrophobicContact CD1-CB 4.01Å; F184-F199 HydrophobicContact CD1-CG 4.29Å; F184-F199 HydrophobicContact CE1-CB 3.69Å; F184-F199 AromaticContact CE1-CD1 3.63Å; F184-F199 HydrophobicContact CE1-CD1 3.63Å; F184-F199 HydrophobicContact CE1-CD2 4Å; F184-F199 HydrophobicContact CE1-CE1 4.27Å; F184-F199 AromaticContact CE1-CG 3.47Å; F184-F199 HydrophobicContact CE1-CG 3.47Å; F184-F199 VanDerWaalsContact CE1-CG 3.47Å; F184-F199 HydrophobicContact CE2-CD2 4.29Å; F184-F199 HydrophobicContact CE2-CG 4.44Å; F184-F199 HydrophobicContact CZ-CB 3.97Å; F184-F199 HydrophobicContact CZ-CD1 4.04Å; F184-F199 AromaticContact CZ-CD2 3.57Å; F184-F199 HydrophobicContact CZ-CD2 3.57Å; F184-F199 HydrophobicContact CZ-CE1 4.47Å; F184-F199 HydrophobicContact CZ-CE2 4.05Å; F184-F199 AromaticContact CZ-CG 3.56Å; F184-F199 HydrophobicContact CZ-CG 3.56Å; F184-F199 HydrophobicContact CZ-CZ 4.46Å
185	K	87.9	Confident	79.6	Confident	53 Å²	53	41.2 Å²	41.2	23%	0.23	22%	0.224	C	C	.	.			trans	-66.8	122.9	169.8	-177.4	-177.1	168.1	-167.4	0	108.4	K181 D312	K181-K185 HydrophobicContact CB-CB 4.4Å; K181-K185 WeakPolarHBondContact O-CB 3.32Å; K185-D312 IonicContact NZ-OD1 3.17Å; K185-D312 PolarHBondContact NZ-OD1 3.16Å; K185-D312 IonicContact NZ-OD2 3.6Å; K185-D312 PolarHBondContact NZ-OD2 2.66Å
186	L	88.2	Confident	79.4	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.8	171.1	-62.9	163	0	0	0	110.3	I18 E132 F184 K194 S196	I18-L186 HydrophobicContact CD1-CB 4.05Å; I18-L186 HydrophobicContact CD1-CD1 3.35Å; I18-L186 HydrophobicContact CD1-CD2 4.47Å; I18-L186 HydrophobicContact CD1-CG 3.31Å; I18-L186 HydrophobicContact CG1-CD1 3.74Å; I18-L186 HydrophobicContact CG1-CG 4.24Å; E132-L186 HydrophobicContact CB-CD1 3.57Å; E132-L186 HydrophobicContact CB-CD2 3.85Å; E132-L186 HydrophobicContact CB-CG 4.36Å; E132-L186 HydrophobicContact CG-CD1 4.32Å; E132-L186 HydrophobicContact CG-CD2 3.62Å; F184-L186 PolarHBondContact O-N 3.36Å; L186-K194 HydrophobicContact CB-CB 3.77Å; L186-K194 HydrophobicContact CB-CD 4.31Å; L186-K194 HydrophobicContact CB-CG 4.41Å; L186-K194 HydrophobicContact CD1-CB 4.23Å; L186-S196 CarbonylContact C-O 3.55Å; L186-S196 WeakPolarHBondContact CA-O 3.49Å; L186-S196 WeakPolarHBondContact CD2-O 3.44Å
187	Y	81.3	Confident	79.4	Confident	27 Å²	27	41.1 Å²	41.1	11%	0.106	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	155.8	170	48.1	-98.4	0	0	0	110.8	S195 S196 F309 A314 V315	Y187-S195 PolarHBondContact O-N 3.4Å; Y187-S196 PolarHBondContact N-O 3.17Å; Y187-S196 PolarHBondContact OH-OG 3.35Å; Y187-F309 AromaticContact CD1-CE2 3.77Å; Y187-F309 HydrophobicContact CD1-CE2 3.77Å; Y187-F309 HydrophobicContact CD1-CZ 4.38Å; Y187-F309 HydrophobicContact CD2-CE2 4.13Å; Y187-F309 AromaticContact CD2-CZ 3.9Å; Y187-F309 HydrophobicContact CD2-CZ 3.9Å; Y187-F309 HydrophobicContact CE1-CE2 4.29Å; Y187-F309 HydrophobicContact CE2-CZ 4.45Å; Y187-F309 AromaticContact CG-CE2 3.67Å; Y187-F309 HydrophobicContact CG-CE2 3.67Å; Y187-F309 AromaticContact CG-CZ 3.87Å; Y187-F309 HydrophobicContact CG-CZ 3.87Å; Y187-A314 HydrophobicContact CD1-CB 4.01Å; Y187-V315 WeakPolarHBondContact CE1-O 3.28Å
188	D	68.3	Low	79.6	Confident	60 Å²	60	40 Å²	40	32%	0.321	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	143.3	-175.5	-71.4	-61.9	0	0	0	111.2	K193 K194	D188-K193 WeakPolarHBondContact CA-O 3.46Å; D188-K194 WeakPolarHBondContact OD1-CA 3.31Å; D188-K194 WeakPolarHBondContact OD1-CG 3.3Å; D188-K194 PolarHBondContact OD1-N 2.79Å
189	S	56.2	Low	79.8	Confident	70 Å²	70	39.9 Å²	39.9	49%	0.49	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-24	154.7	49.8	0	0	0	0	111.7	K193	S189-K193 PolarHBondContact N-O 2.93Å
190	D	53.8	Low	79.9	Confident	129 Å²	129	39.9 Å²	39.9	69%	0.69	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-160.6	147.5	170.3	-88.9	-40.5	0	0	0	108.2	A192 K193	D190-A192 PolarHBondContact O-N 3.41Å; D190-K193 PolarHBondContact O-N 2.77Å
191	D	50.4	Low	79.9	Confident	164 Å²	164	40.3 Å²	40.3	88%	0.877	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.4	-16	-170.7	-82.6	-22.9	0	0	0	117.8
192	A	52.9	Low	80.2	Confident	99 Å²	99	38.6 Å²	38.6	82%	0.818	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-10.4	178.9	0	0	0	0	0	114.2	D190	D190-A192 PolarHBondContact O-N 3.41Å
193	K	58.4	Low	80.5	Confident	107 Å²	107	38.5 Å²	38.5	47%	0.465	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	98.1	-170.3	-68	-173	-178.4	-178.9	0	111.8	D188 S189 D190	D188-K193 WeakPolarHBondContact CA-O 3.46Å; S189-K193 PolarHBondContact N-O 2.93Å; D190-K193 PolarHBondContact O-N 2.77Å
194	K	66.1	Low	80.6	Confident	69 Å²	69	38.7 Å²	38.7	30%	0.3	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	116.7	161.5	-68.2	-171	-177.3	-176	0	108.6	E132 L186 D188	E132-K194 PolarHBondContact N-O 3.48Å; L186-K194 HydrophobicContact CB-CB 3.77Å; L186-K194 HydrophobicContact CB-CD 4.31Å; L186-K194 HydrophobicContact CB-CG 4.41Å; L186-K194 HydrophobicContact CD1-CB 4.23Å; D188-K194 WeakPolarHBondContact OD1-CA 3.31Å; D188-K194 WeakPolarHBondContact OD1-CG 3.3Å; D188-K194 PolarHBondContact OD1-N 2.79Å
195	S	80.9	Confident	80.7	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	-10.9	-167.4	63.7	0	0	0	0	114.9	E128 A130 E132 Y187	E128-S195 WeakPolarHBondContact O-CB 3.46Å; E128-S195 PolarHBondContact O-OG 2.8Å; A130-S195 WeakPolarHBondContact O-CA 3.38Å; A130-S195 WeakPolarHBondContact O-CB 3.3Å; E132-S195 WeakPolarHBondContact CG-O 3.09Å; Y187-S195 PolarHBondContact O-N 3.4Å
196	S	87.7	Confident	81	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	151.3	-176.9	-176.3	0	0	0	0	111.8	L186 Y187 E206	L186-S196 CarbonylContact C-O 3.55Å; L186-S196 WeakPolarHBondContact CA-O 3.49Å; L186-S196 WeakPolarHBondContact CD2-O 3.44Å; Y187-S196 PolarHBondContact N-O 3.17Å; Y187-S196 PolarHBondContact OH-OG 3.35Å; S196-E206 WeakPolarHBondContact CB-OE1 3.5Å; S196-E206 VanDerWaalsContact OG-CD 3.23Å; S196-E206 PolarHBondContact OG-OE1 3.02Å; S196-E206 PolarHBondContact OG-OE2 2.84Å
197	S	92.9	Very high	81.3	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	159.3	172.2	66.8	0	0	0	0	111.2	W183 F199 E200 H201	W183-S197 WeakPolarHBondContact O-CB 3.03Å; S197-F199 PolarHBondContact O-N 2.96Å; S197-E200 PolarHBondContact N-OE2 2.99Å; S197-E200 WeakPolarHBondContact O-CB 3.41Å; S197-E200 PolarHBondContact O-N 3.32Å; S197-E200 VanDerWaalsContact O-N 3.16Å; S197-E200 WeakPolarHBondContact OG-CB 3.15Å; S197-E200 PolarHBondContact OG-N 3.25Å; S197-H201 WeakPolarHBondContact O-CB 3.28Å; S197-H201 PolarHBondContact O-N 3.3Å
198	G	94.2	Very high	81.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-31.8	178.9	0	0	0	0	0	113.4	W183 V202 V315	W183-G198 PolarHBondContact O-N 3.46Å; G198-V202 VanDerWaalsContact O-CB 3.22Å; G198-V202 WeakPolarHBondContact O-CB 3.21Å; G198-V202 WeakPolarHBondContact O-CG2 3.43Å; G198-V202 PolarHBondContact O-N 3.12Å; G198-V315 VanDerWaalsContact CA-O 3.24Å; G198-V315 WeakPolarHBondContact CA-O 3.25Å
199	F	96.7	Very high	82.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.3	-48.7	175.4	-175.2	-91.4	0	0	0	111.4	L117 L120 F124 F145 W183 F184 S197 F203 L204 I277	L117-F199 HydrophobicContact CD1-CE2 4.4Å; L117-F199 HydrophobicContact CD1-CZ 3.65Å; L120-F199 HydrophobicContact CB-CE1 4.08Å; L120-F199 HydrophobicContact CD1-CD1 4.46Å; L120-F199 HydrophobicContact CD1-CE1 3.52Å; L120-F199 HydrophobicContact CD1-CE2 4.35Å; L120-F199 HydrophobicContact CD1-CZ 3.44Å; L120-F199 VanDerWaalsContact CD1-CZ 3.44Å; L120-F199 HydrophobicContact CG-CE1 4.44Å; F124-F199 HydrophobicContact CE2-CD1 4.12Å; F124-F199 HydrophobicContact CE2-CE1 4.48Å; F145-F199 HydrophobicContact CD1-CE2 4.09Å; F145-F199 HydrophobicContact CD1-CZ 4.36Å; F145-F199 HydrophobicContact CE1-CD2 4.16Å; F145-F199 AromaticContact CE1-CE2 3.37Å; F145-F199 HydrophobicContact CE1-CE2 3.37Å; F145-F199 AromaticContact CE1-CZ 3.99Å; F145-F199 HydrophobicContact CE1-CZ 3.99Å; F145-F199 AromaticContact CZ-CE2 3.67Å; F145-F199 HydrophobicContact CZ-CE2 3.67Å; F145-F199 HydrophobicContact CZ-CZ 4.19Å; W183-F199 HydrophobicContact CB-CB 4.32Å; W183-F199 HydrophobicContact CE3-CB 4.37Å; W183-F199 VanDerWaalsContact O-CB 3.25Å; W183-F199 WeakPolarHBondContact O-CB 3.44Å; W183-F199 PolarHBondContact O-N 2.94Å; F184-F199 HydrophobicContact CD1-CB 4.01Å; F184-F199 HydrophobicContact CD1-CG 4.29Å; F184-F199 HydrophobicContact CE1-CB 3.69Å; F184-F199 AromaticContact CE1-CD1 3.63Å; F184-F199 HydrophobicContact CE1-CD1 3.63Å; F184-F199 HydrophobicContact CE1-CD2 4Å; F184-F199 HydrophobicContact CE1-CE1 4.27Å; F184-F199 AromaticContact CE1-CG 3.47Å; F184-F199 HydrophobicContact CE1-CG 3.47Å; F184-F199 VanDerWaalsContact CE1-CG 3.47Å; F184-F199 HydrophobicContact CE2-CD2 4.29Å; F184-F199 HydrophobicContact CE2-CG 4.44Å; F184-F199 HydrophobicContact CZ-CB 3.97Å; F184-F199 HydrophobicContact CZ-CD1 4.04Å; F184-F199 AromaticContact CZ-CD2 3.57Å; F184-F199 HydrophobicContact CZ-CD2 3.57Å; F184-F199 HydrophobicContact CZ-CE1 4.47Å; F184-F199 HydrophobicContact CZ-CE2 4.05Å; F184-F199 AromaticContact CZ-CG 3.56Å; F184-F199 HydrophobicContact CZ-CG 3.56Å; F184-F199 HydrophobicContact CZ-CZ 4.46Å; S197-F199 PolarHBondContact O-N 2.96Å; F199-F203 HydrophobicContact CD2-CB 4.44Å; F199-F203 AromaticContact CD2-CD2 3.71Å; F199-F203 HydrophobicContact CD2-CD2 3.71Å; F199-F203 HydrophobicContact CD2-CE2 4.27Å; F199-F203 HydrophobicContact CD2-CG 4.2Å; F199-F203 HydrophobicContact CE1-CB 4.31Å; F199-F203 HydrophobicContact CE2-CB 4.14Å; F199-F203 HydrophobicContact CE2-CD1 4.47Å; F199-F203 AromaticContact CE2-CD2 3.82Å; F199-F203 HydrophobicContact CE2-CD2 3.82Å; F199-F203 HydrophobicContact CE2-CE2 4.38Å; F199-F203 AromaticContact CE2-CG 3.89Å; F199-F203 HydrophobicContact CE2-CG 3.89Å; F199-F203 HydrophobicContact CG-CD2 4.39Å; F199-F203 HydrophobicContact CZ-CB 4.08Å; F199-F203 HydrophobicContact CZ-CG 4.28Å; F199-F203 WeakPolarHBondContact O-CB 3.32Å; F199-F203 PolarHBondContact O-N 2.72Å; F199-L204 HydrophobicContact CD1-CD1 4.36Å; F199-L204 HydrophobicContact CD1-CG 4.38Å; F199-L204 HydrophobicContact CE1-CD1 4.15Å; F199-L204 HydrophobicContact CE1-CD2 4.26Å; F199-L204 HydrophobicContact CE1-CG 4.08Å; F199-I277 HydrophobicContact CD2-CD1 4.42Å
200	E	95.2	Very high	83.5	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.205	C	C	.	.	I	π-helix	trans	-56.2	-53.6	176.5	178.8	-179	175.4	0	0	110.7	F124 N125 S197 V202 L204 G205 E206	F124-E200 HydrophobicContact CB-CB 4.4Å; F124-E200 HydrophobicContact CB-CG 3.87Å; F124-E200 HydrophobicContact CD1-CB 4.34Å; F124-E200 HydrophobicContact CG-CB 4.22Å; F124-E200 HydrophobicContact CG-CG 4.24Å; N125-E200 VanDerWaalsContact O-OE1 3.05Å; S197-E200 PolarHBondContact N-OE2 2.99Å; S197-E200 WeakPolarHBondContact O-CB 3.41Å; S197-E200 PolarHBondContact O-N 3.32Å; S197-E200 VanDerWaalsContact O-N 3.16Å; S197-E200 WeakPolarHBondContact OG-CB 3.15Å; S197-E200 PolarHBondContact OG-N 3.25Å; E200-V202 PolarHBondContact O-N 3.44Å; E200-L204 CarbonylContact O-C 3.51Å; E200-L204 WeakPolarHBondContact O-CA 3.37Å; E200-L204 WeakPolarHBondContact O-CB 3.25Å; E200-L204 PolarHBondContact O-N 3Å; E200-G205 PolarHBondContact O-N 3.32Å; E200-E206 HydrophobicContact CG-CG 3.84Å
201	H	95.1	Very high	84.7	Confident	11 Å²	11	40.4 Å²	40.4	5%	0.051	22%	0.219	C	C	.	.	I	π-helix	trans	-56.9	-55.2	179.5	-174.4	80.4	0	0	0	112.1	S197 E206 D220 G221 M222 I316 T317	S197-H201 WeakPolarHBondContact O-CB 3.28Å; S197-H201 PolarHBondContact O-N 3.3Å; H201-E206 VanDerWaalsContact CA-OE2 3.3Å; H201-E206 WeakPolarHBondContact CA-OE2 3.04Å; H201-E206 WeakPolarHBondContact CB-OE2 3.37Å; H201-E206 IonicContact CG-OE2 3.54Å; H201-E206 IonicContact ND1-OE2 2.81Å; H201-E206 PolarHBondContact ND1-OE2 3.1Å; H201-D220 IonicContact CE1-OD1 3.06Å; H201-D220 PolarHBondContact CE1-OD1 3.02Å; H201-D220 IonicContact CE1-OD2 2.93Å; H201-D220 IonicContact NE2-OD1 2.68Å; H201-G221 PolarHBondContact CE1-N 3.07Å; H201-G221 CarbonylContact O-C 3.54Å; H201-G221 WeakPolarHBondContact O-CA 3.43Å; H201-M222 PolarHBondContact O-N 2.81Å; H201-I316 PolarHBondContact CD2-O 2.92Å; H201-T317 VanDerWaalsContact CD2-CB 3.46Å; H201-T317 WeakPolarHBondContact CD2-CB 3.45Å; H201-T317 PolarHBondContact CD2-OG1 3.3Å; H201-T317 WeakPolarHBondContact NE2-CB 3.37Å; H201-T317 PolarHBondContact NE2-OG1 3.22Å
202	V	97.4	Very high	86.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-75.2	-46.6	-170.9	175.3	0	0	0	0	112.1	W183 G198 E200 H223 Y280 V315 T318	W183-V202 HydrophobicContact CZ3-CB 4.1Å; W183-V202 HydrophobicContact CZ3-CG1 4.28Å; W183-V202 HydrophobicContact CZ3-CG2 4.18Å; G198-V202 VanDerWaalsContact O-CB 3.22Å; G198-V202 WeakPolarHBondContact O-CB 3.21Å; G198-V202 WeakPolarHBondContact O-CG2 3.43Å; G198-V202 PolarHBondContact O-N 3.12Å; E200-V202 PolarHBondContact O-N 3.44Å; V202-H223 PolarHBondContact O-N 2.94Å; V202-Y280 HydrophobicContact CG1-CD2 3.95Å; V202-Y280 HydrophobicContact CG1-CE2 4.01Å; V202-V315 HydrophobicContact CG2-CG1 3.98Å; V202-T318 HydrophobicContact CG1-CG2 3.94Å; V202-T318 WeakPolarHBondContact CG1-O 3.5Å; V202-T318 HydrophobicContact CG2-CG2 3.78Å
203	F	98.2	Very high	87.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-93	-36.7	-172	-74.5	-93.3	0	0	0	113.4	L117 W183 F199 N224 R227 E276 I277 Y280	L117-F203 HydrophobicContact CD1-CD1 4.4Å; W183-F203 HydrophobicContact CE3-CE2 4.21Å; W183-F203 AromaticContact CH2-CE2 3.88Å; W183-F203 HydrophobicContact CH2-CE2 3.88Å; W183-F203 HydrophobicContact CZ3-CD2 4.12Å; W183-F203 AromaticContact CZ3-CE2 3.64Å; W183-F203 HydrophobicContact CZ3-CE2 3.64Å; F199-F203 HydrophobicContact CD2-CB 4.44Å; F199-F203 AromaticContact CD2-CD2 3.71Å; F199-F203 HydrophobicContact CD2-CD2 3.71Å; F199-F203 HydrophobicContact CD2-CE2 4.27Å; F199-F203 HydrophobicContact CD2-CG 4.2Å; F199-F203 HydrophobicContact CE1-CB 4.31Å; F199-F203 HydrophobicContact CE2-CB 4.14Å; F199-F203 HydrophobicContact CE2-CD1 4.47Å; F199-F203 AromaticContact CE2-CD2 3.82Å; F199-F203 HydrophobicContact CE2-CD2 3.82Å; F199-F203 HydrophobicContact CE2-CE2 4.38Å; F199-F203 AromaticContact CE2-CG 3.89Å; F199-F203 HydrophobicContact CE2-CG 3.89Å; F199-F203 HydrophobicContact CG-CD2 4.39Å; F199-F203 HydrophobicContact CZ-CB 4.08Å; F199-F203 HydrophobicContact CZ-CG 4.28Å; F199-F203 WeakPolarHBondContact O-CB 3.32Å; F199-F203 PolarHBondContact O-N 2.72Å; F203-N224 HydrophobicContact CB-CB 4.4Å; F203-N224 HydrophobicContact CD1-CB 3.91Å; F203-N224 WeakPolarHBondContact O-CB 3.43Å; F203-R227 VanDerWaalsContact O-CB 3.24Å; F203-R227 WeakPolarHBondContact O-CB 3.18Å; F203-E276 HydrophobicContact CE1-CB 3.89Å; F203-E276 HydrophobicContact CZ-CB 4.06Å; F203-I277 HydrophobicContact CE2-CB 4.25Å; F203-I277 HydrophobicContact CE2-CG1 4.14Å; F203-I277 HydrophobicContact CZ-CB 3.74Å; F203-I277 HydrophobicContact CZ-CG1 4.16Å; F203-Y280 HydrophobicContact CE2-CD2 4.24Å; F203-Y280 AromaticContact CZ-CD2 3.98Å; F203-Y280 HydrophobicContact CZ-CD2 3.98Å; F203-Y280 HydrophobicContact CZ-CE2 4.16Å
204	L	97.2	Very high	88.8	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	21%	0.209	C	C	.	.	I	π-helix	trans	-99.8	-31.7	-171.1	-56.1	-174.7	0	0	0	113.1	F124 F199 E200 R227	F124-L204 HydrophobicContact CB-CD1 4.35Å; F124-L204 HydrophobicContact CD2-CD1 3.36Å; F124-L204 HydrophobicContact CE2-CD1 4.04Å; F124-L204 HydrophobicContact CG-CD1 4.2Å; F199-L204 HydrophobicContact CD1-CD1 4.36Å; F199-L204 HydrophobicContact CD1-CG 4.38Å; F199-L204 HydrophobicContact CE1-CD1 4.15Å; F199-L204 HydrophobicContact CE1-CD2 4.26Å; F199-L204 HydrophobicContact CE1-CG 4.08Å; E200-L204 CarbonylContact O-C 3.51Å; E200-L204 WeakPolarHBondContact O-CA 3.37Å; E200-L204 WeakPolarHBondContact O-CB 3.25Å; E200-L204 PolarHBondContact O-N 3Å; L204-R227 WeakPolarHBondContact O-CG 3.47Å; L204-R227 PolarHBondContact O-NE 2.94Å
205	G	95.6	Very high	89.6	Confident	2 Å²	2	37.6 Å²	37.6	2%	0.021	22%	0.219	C	C	.	.			trans	77.3	151.4	-174.6	0	0	0	0	0	113.2	E200	E200-G205 PolarHBondContact O-N 3.32Å
206	E	94.2	Very high	89.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152.2	-177.5	-61.5	163.8	103.5	0	0	110.5	R126 E128 S196 E200 H201 V219 D220	R126-E206 CarbonylContact O-C 3.58Å; E128-E206 HydrophobicContact CB-CB 4.03Å; S196-E206 WeakPolarHBondContact CB-OE1 3.5Å; S196-E206 VanDerWaalsContact OG-CD 3.23Å; S196-E206 PolarHBondContact OG-OE1 3.02Å; S196-E206 PolarHBondContact OG-OE2 2.84Å; E200-E206 HydrophobicContact CG-CG 3.84Å; H201-E206 VanDerWaalsContact CA-OE2 3.3Å; H201-E206 WeakPolarHBondContact CA-OE2 3.04Å; H201-E206 WeakPolarHBondContact CB-OE2 3.37Å; H201-E206 IonicContact CG-OE2 3.54Å; H201-E206 IonicContact ND1-OE2 2.81Å; H201-E206 PolarHBondContact ND1-OE2 3.1Å; E206-V219 CarbonylContact O-C 3.56Å; E206-V219 VanDerWaalsContact O-CA 3.29Å; E206-V219 WeakPolarHBondContact O-CA 3.48Å; E206-D220 PolarHBondContact N-O 2.78Å; E206-D220 PolarHBondContact O-N 2.62Å
207	W	94.2	Very high	89.8	Confident	49 Å²	49	42 Å²	42	19%	0.186	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.4	166.1	-67.8	-15.4	0	0	0	107.9	R126 M127 E128 W257 Y260	R126-W207 HydrophobicContact CB-CD2 4.04Å; R126-W207 HydrophobicContact CB-CE3 3.88Å; R126-W207 HydrophobicContact CB-CZ3 4.17Å; R126-W207 WeakPolarHBondContact O-CA 3.47Å; R126-W207 WeakPolarHBondContact O-CB 3.47Å; R126-W207 PolarHBondContact O-N 2.65Å; M127-W207 HydrophobicContact CG-CE3 4.37Å; M127-W207 HydrophobicContact SD-CB 3.79Å; M127-W207 HydrophobicContact SD-CD2 4.47Å; M127-W207 HydrophobicContact SD-CE3 3.74Å; E128-W207 PolarHBondContact N-O 3.28Å; W207-W257 AromaticContact CD1-CE3 3.6Å; W207-W257 AromaticContact CD1-CZ3 3.89Å; W207-W257 AromaticContact CE2-CD2 3.96Å; W207-W257 AromaticContact CE2-CE2 3.96Å; W207-W257 HydrophobicContact CZ2-CD2 4.28Å; W207-W257 AromaticContact CZ2-CE2 3.89Å; W207-W257 HydrophobicContact CZ2-CG 4.48Å; W207-W257 HydrophobicContact CZ2-CZ2 4.24Å; W207-W257 AromaticContact CZ2-NE1 3.9Å; W207-W257 AromaticContact NE1-CD2 3.12Å; W207-W257 AromaticContact NE1-CE2 3.59Å; W207-W257 AromaticContact NE1-CE3 3.19Å; W207-W257 AromaticContact NE1-CG 3.53Å; W207-W257 AromaticContact NE1-CZ3 3.68Å; W207-Y260 HydrophobicContact CB-CD1 3.68Å; W207-Y260 HydrophobicContact CB-CD2 4.22Å; W207-Y260 HydrophobicContact CB-CE1 3.52Å; W207-Y260 HydrophobicContact CB-CE2 4.09Å; W207-Y260 HydrophobicContact CB-CG 4.06Å; W207-Y260 AromaticContact CD1-CD2 3.63Å; W207-Y260 AromaticContact CD1-CG 3.62Å; W207-Y260 AromaticContact CD2-CD2 3.6Å; W207-Y260 HydrophobicContact CD2-CD2 3.6Å; W207-Y260 AromaticContact CD2-CE2 3.42Å; W207-Y260 HydrophobicContact CD2-CE2 3.42Å; W207-Y260 VanDerWaalsContact CD2-CE2 3.42Å; W207-Y260 HydrophobicContact CD2-CG 4.26Å; W207-Y260 AromaticContact CD2-CZ 3.93Å; W207-Y260 AromaticContact CE2-CD2 3.72Å; W207-Y260 AromaticContact CE2-CE2 3.92Å; W207-Y260 HydrophobicContact CE3-CD2 4.27Å; W207-Y260 AromaticContact CE3-CE2 3.63Å; W207-Y260 HydrophobicContact CE3-CE2 3.63Å; W207-Y260 AromaticContact CE3-CZ 4Å; W207-Y260 AromaticContact CG-CD1 3.88Å; W207-Y260 HydrophobicContact CG-CD1 3.88Å; W207-Y260 AromaticContact CG-CD2 3.56Å; W207-Y260 HydrophobicContact CG-CD2 3.56Å; W207-Y260 AromaticContact CG-CE1 3.95Å; W207-Y260 HydrophobicContact CG-CE1 3.95Å; W207-Y260 AromaticContact CG-CE2 3.65Å; W207-Y260 HydrophobicContact CG-CE2 3.65Å; W207-Y260 AromaticContact CG-CG 3.71Å; W207-Y260 HydrophobicContact CG-CG 3.71Å; W207-Y260 AromaticContact CG-CZ 3.85Å; W207-Y260 HydrophobicContact CZ2-CD2 4.45Å; W207-Y260 HydrophobicContact CZ3-CE2 4.25Å; W207-Y260 AromaticContact NE1-CD2 3.7Å
208	K	88.5	Confident	89.8	Confident	52 Å²	52	44.6 Å²	44.6	23%	0.226	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.6	178	-174.8	-168.9	-142.4	100.8	0	109.9	E128 P210 A217 I218 D220	E128-K208 IonicContact OE1-NZ 3.18Å; E128-K208 PolarHBondContact OE1-NZ 2.65Å; E128-K208 VanDerWaalsContact OE2-CB 3.24Å; E128-K208 WeakPolarHBondContact OE2-CB 3.45Å; E128-K208 WeakPolarHBondContact OE2-CD 3.04Å; E128-K208 WeakPolarHBondContact OE2-CE 2.95Å; E128-K208 WeakPolarHBondContact OE2-CG 3.25Å; E128-K208 IonicContact OE2-NZ 3.74Å; E128-K208 PolarHBondContact OE2-NZ 3.31Å; K208-P210 WeakPolarHBondContact O-CD 3.43Å; K208-A217 WeakPolarHBondContact O-CA 3.22Å; K208-I218 HydrophobicContact CB-CD1 4.5Å; K208-I218 HydrophobicContact CB-CG1 3.85Å; K208-I218 HydrophobicContact CD-CD1 3.97Å; K208-I218 HydrophobicContact CD-CG1 4.2Å; K208-I218 HydrophobicContact CG-CG1 4.48Å; K208-I218 PolarHBondContact N-O 2.93Å; K208-I218 PolarHBondContact O-N 3.47Å; K208-D220 HydrophobicContact CB-CB 4.31Å; K208-D220 IonicContact NZ-OD2 3.6Å; K208-D220 PolarHBondContact NZ-OD2 3.37Å
209	T	86.7	Confident	89.8	Confident	74 Å²	74	44.7 Å²	44.7	45%	0.454	26%	0.264	S	S	.	.			trans	-101.3	108.1	167.3	-54.3	0	0	0	0	108.4	E129 L211	E129-T209 PolarHBondContact OE1-N 2.68Å; T209-L211 PolarHBondContact O-N 3.24Å
210	P	77.5	Confident	89.6	Confident	23 Å²	23	46.5 Å²	46.5	15%	0.149	27%	0.274	C	S	.	.			trans	-57.1	143.4	-179.8	-24.5	33.8	0	0	0	112	K208 N212 L215 P216	K208-P210 WeakPolarHBondContact O-CD 3.43Å; P210-N212 CarbonylContact O-C 3.39Å; P210-N212 PolarHBondContact O-N 3.23Å; P210-N212 VanDerWaalsContact O-N 3.17Å; P210-L215 HydrophobicContact CB-CB 3.88Å; P210-L215 HydrophobicContact CB-CD1 4.12Å; P210-L215 HydrophobicContact CG-CB 3.91Å; P210-P216 WeakPolarHBondContact CD-O 3.28Å; P210-P216 WeakPolarHBondContact CG-O 3.24Å
211	L	79.5	Confident	89.6	Confident	188 Å²	188	46.5 Å²	46.5	98%	0.984	27%	0.273	S	S	*	.	S	Bend	trans	-55.9	-34.1	176.7	-69.3	174.6	0	0	0	112.5	T209 A213	T209-L211 PolarHBondContact O-N 3.24Å; L211-A213 PolarHBondContact O-N 3.25Å
212	N	82	Confident	89.7	Confident	88 Å²	88	46 Å²	46	47%	0.471	27%	0.271	S	S	.	.	S	Bend	trans	-80.6	105	171.1	-176.4	-3	0	0	0	109.9	P210 S214 L215	P210-N212 CarbonylContact O-C 3.39Å; P210-N212 PolarHBondContact O-N 3.23Å; P210-N212 VanDerWaalsContact O-N 3.17Å; N212-S214 VanDerWaalsContact CG-OG 3.28Å; N212-S214 PolarHBondContact ND2-OG 3.03Å; N212-S214 VanDerWaalsContact ND2-OG 3.1Å; N212-S214 PolarHBondContact O-N 2.84Å; N212-S214 WeakPolarHBondContact OD1-CB 3.48Å; N212-S214 PolarHBondContact OD1-N 2.7Å; N212-S214 PolarHBondContact OD1-OG 3.46Å; N212-L215 HydrophobicContact CB-CD1 4.17Å; N212-L215 HydrophobicContact CB-CG 4.27Å; N212-L215 WeakPolarHBondContact O-CB 3.21Å; N212-L215 PolarHBondContact O-N 3.11Å
213	A	80.8	Confident	89.7	Confident	101 Å²	101	46.4 Å²	46.4	84%	0.835	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-10.5	179.2	0	0	0	0	0	114.9	L211 L215	L211-A213 PolarHBondContact O-N 3.25Å; A213-L215 VanDerWaalsContact C-N 3.34Å
214	S	84.5	Confident	89.7	Confident	94 Å²	94	46.5 Å²	46.5	66%	0.657	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.9	171.8	78.6	0	0	0	0	113.7	N212	N212-S214 VanDerWaalsContact CG-OG 3.28Å; N212-S214 PolarHBondContact ND2-OG 3.03Å; N212-S214 VanDerWaalsContact ND2-OG 3.1Å; N212-S214 PolarHBondContact O-N 2.84Å; N212-S214 WeakPolarHBondContact OD1-CB 3.48Å; N212-S214 PolarHBondContact OD1-N 2.7Å; N212-S214 PolarHBondContact OD1-OG 3.46Å
215	L	81.7	Confident	89.7	Confident	97 Å²	97	46.2 Å²	46.2	51%	0.508	27%	0.272	S	S	.	.	S	Bend	trans	-89.9	143.6	176.9	-64	176.7	0	0	0	110	P210 N212 A213	P210-L215 HydrophobicContact CB-CB 3.88Å; P210-L215 HydrophobicContact CB-CD1 4.12Å; P210-L215 HydrophobicContact CG-CB 3.91Å; N212-L215 HydrophobicContact CB-CD1 4.17Å; N212-L215 HydrophobicContact CB-CG 4.27Å; N212-L215 WeakPolarHBondContact O-CB 3.21Å; N212-L215 PolarHBondContact O-N 3.11Å; A213-L215 VanDerWaalsContact C-N 3.34Å
216	P	84	Confident	89.8	Confident	72 Å²	72	46.2 Å²	46.2	47%	0.468	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-66.5	153.3	177.6	29.9	-34.9	0	0	0	110.5	P210 I218	P210-P216 WeakPolarHBondContact CD-O 3.28Å; P210-P216 WeakPolarHBondContact CG-O 3.24Å; P216-I218 WeakPolarHBondContact O-CG2 3.16Å
217	A	89.8	Confident	90	Very high	26 Å²	26	46.6 Å²	46.6	22%	0.215	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-63.9	136.5	167.8	0	0	0	0	0	109.6	K208 Y260 K261	K208-A217 WeakPolarHBondContact O-CA 3.22Å; A217-Y260 HydrophobicContact CB-CD1 3.33Å; A217-Y260 HydrophobicContact CB-CE1 3.4Å; A217-Y260 HydrophobicContact CB-CG 4.27Å; A217-Y260 WeakPolarHBondContact O-CA 3.36Å; A217-K261 PolarHBondContact O-N 3.3Å
218	I	92.7	Very high	90.2	Very high	53 Å²	53	44.3 Å²	44.3	27%	0.272	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	160.7	-170.6	66.5	173.2	0	0	0	111.8	K208 P216 Y260 K261	K208-I218 HydrophobicContact CB-CD1 4.5Å; K208-I218 HydrophobicContact CB-CG1 3.85Å; K208-I218 HydrophobicContact CD-CD1 3.97Å; K208-I218 HydrophobicContact CD-CG1 4.2Å; K208-I218 HydrophobicContact CG-CG1 4.48Å; K208-I218 PolarHBondContact N-O 2.93Å; K208-I218 PolarHBondContact O-N 3.47Å; P216-I218 WeakPolarHBondContact O-CG2 3.16Å; I218-Y260 WeakPolarHBondContact O-CD1 3.08Å; I218-K261 CarbonylContact C-O 3.59Å; I218-K261 WeakPolarHBondContact CA-O 3.37Å; I218-K261 WeakPolarHBondContact CB-O 3.41Å
219	V	95.1	Very high	90.7	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.7	159.8	179.7	0	0	0	0	107.6	E206 M222 Y255 W257 K261 K262	E206-V219 CarbonylContact O-C 3.56Å; E206-V219 VanDerWaalsContact O-CA 3.29Å; E206-V219 WeakPolarHBondContact O-CA 3.48Å; V219-M222 HydrophobicContact CG1-CB 4.25Å; V219-M222 HydrophobicContact CG1-CE 4.25Å; V219-Y255 HydrophobicContact CB-CE2 4.47Å; V219-Y255 HydrophobicContact CG1-CE2 4.25Å; V219-Y255 HydrophobicContact CG2-CE2 4.38Å; V219-W257 HydrophobicContact CG1-CE3 4.09Å; V219-W257 HydrophobicContact CG2-CB 3.6Å; V219-W257 HydrophobicContact CG2-CE3 4.21Å; V219-K261 PolarHBondContact N-O 3.18Å; V219-K262 HydrophobicContact CB-CB 4.08Å; V219-K262 HydrophobicContact CB-CD 3.94Å; V219-K262 HydrophobicContact CG1-CD 4.11Å; V219-K262 WeakPolarHBondContact O-CD 3.2Å; V219-K262 PolarHBondContact O-NZ 2.84Å
220	D	91.7	Very high	91.2	Very high	38 Å²	38	40.6 Å²	40.6	20%	0.203	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	147.4	171.7	-145.5	-12.2	0	0	0	110.2	H201 E206 K208 M222	H201-D220 IonicContact CE1-OD1 3.06Å; H201-D220 PolarHBondContact CE1-OD1 3.02Å; H201-D220 IonicContact CE1-OD2 2.93Å; H201-D220 IonicContact NE2-OD1 2.68Å; E206-D220 PolarHBondContact N-O 2.78Å; E206-D220 PolarHBondContact O-N 2.62Å; K208-D220 HydrophobicContact CB-CB 4.31Å; K208-D220 IonicContact NZ-OD2 3.6Å; K208-D220 PolarHBondContact NZ-OD2 3.37Å; D220-M222 PolarHBondContact O-N 2.7Å
221	G	94.7	Very high	92.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.237	C	C	.	.			trans	60.1	-131.8	-175.1	0	0	0	0	0	114.7	H201 K262	H201-G221 PolarHBondContact CE1-N 3.07Å; H201-G221 CarbonylContact O-C 3.54Å; H201-G221 WeakPolarHBondContact O-CA 3.43Å; G221-K262 VanDerWaalsContact N-NZ 3.18Å; G221-K262 WeakPolarHBondContact O-CE 3.41Å; G221-K262 PolarHBondContact O-NZ 3.3Å
222	M	97.6	Very high	93	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.194	C	C	.	.			trans	58.1	72	-174.2	-153.8	167.6	62.1	0	0	114.3	H201 V219 D220 R227 Y228 L231 I237 Y255 W257	H201-M222 PolarHBondContact O-N 2.81Å; V219-M222 HydrophobicContact CG1-CB 4.25Å; V219-M222 HydrophobicContact CG1-CE 4.25Å; D220-M222 PolarHBondContact O-N 2.7Å; M222-R227 HydrophobicContact CG-CG 4.09Å; M222-R227 HydrophobicContact SD-CG 3.92Å; M222-Y228 HydrophobicContact CE-CD2 4.27Å; M222-L231 HydrophobicContact CE-CD1 4.49Å; M222-L231 HydrophobicContact SD-CD1 3.63Å; M222-I237 HydrophobicContact CE-CD1 3.65Å; M222-I237 HydrophobicContact SD-CD1 4.39Å; M222-Y255 HydrophobicContact CE-CD2 4.12Å; M222-Y255 HydrophobicContact CE-CE1 4.38Å; M222-Y255 HydrophobicContact CE-CE2 3.09Å; M222-Y255 WeakPolarHBondContact CE-OH 3.47Å; M222-W257 HydrophobicContact CE-CE3 4.5Å; M222-W257 HydrophobicContact SD-CE3 4.25Å; M222-W257 HydrophobicContact SD-CZ3 4.42Å
223	H	97.8	Very high	93.7	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.046	19%	0.194	C	C	.	.			trans	-112.5	25.3	-178.5	-61.9	-72.9	0	0	0	112.9	V202 S266 F267 Y319	V202-H223 PolarHBondContact O-N 2.94Å; H223-S266 WeakPolarHBondContact CB-O 3.1Å; H223-S266 PolarHBondContact ND1-O 2.97Å; H223-F267 VanDerWaalsContact C-CB 3.5Å; H223-F267 WeakPolarHBondContact O-CB 3.21Å; H223-Y319 VanDerWaalsContact CE1-CB 3.5Å; H223-Y319 WeakPolarHBondContact CE1-CB 3.24Å; H223-Y319 AromaticContact CE1-CG 3.79Å; H223-Y319 VanDerWaalsContact CG-CB 3.42Å; H223-Y319 VanDerWaalsContact ND1-CB 3.29Å; H223-Y319 WeakPolarHBondContact ND1-CB 3.49Å; H223-Y319 AromaticContact NE2-CD1 3.99Å
224	N	98.2	Very high	94.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-120.6	128.9	178.4	-179	-99.6	0	0	0	112.4	F203 V226 R227 Y228 E276	F203-N224 HydrophobicContact CB-CB 4.4Å; F203-N224 HydrophobicContact CD1-CB 3.91Å; F203-N224 WeakPolarHBondContact O-CB 3.43Å; N224-V226 PolarHBondContact O-N 3.1Å; N224-V226 VanDerWaalsContact OD1-CB 3.3Å; N224-V226 WeakPolarHBondContact OD1-CB 3.38Å; N224-V226 PolarHBondContact OD1-N 3.31Å; N224-V226 VanDerWaalsContact OD1-N 3.07Å; N224-R227 HydrophobicContact CB-CB 4.41Å; N224-R227 PolarHBondContact OD1-N 3.39Å; N224-R227 VanDerWaalsContact OD1-N 3.1Å; N224-Y228 PolarHBondContact O-N 3.17Å; N224-Y228 VanDerWaalsContact O-N 3.12Å; N224-E276 VanDerWaalsContact ND2-CD 3.34Å; N224-E276 PolarHBondContact ND2-OE1 3.18Å; N224-E276 PolarHBondContact ND2-OE2 2.82Å
225	W	98	Very high	95	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.4	-28.9	-175.6	73.8	-88.8	0	0	0	113.8	I79 F101 I104 L108 F109 Y114 F229 F267 L268 T271 E276	I79-W225 HydrophobicContact CD1-CE3 4.21Å; I79-W225 HydrophobicContact CD1-CH2 3.84Å; I79-W225 HydrophobicContact CD1-CZ2 4.24Å; I79-W225 HydrophobicContact CD1-CZ3 3.84Å; F101-W225 HydrophobicContact CE1-CE3 4.02Å; F101-W225 HydrophobicContact CZ-CB 4.07Å; F101-W225 HydrophobicContact CZ-CE3 4.21Å; I104-W225 HydrophobicContact CD1-CE3 4.27Å; I104-W225 HydrophobicContact CD1-CZ3 3.74Å; I104-W225 HydrophobicContact CG2-CZ3 4.45Å; L108-W225 HydrophobicContact CD1-CH2 4.38Å; F109-W225 HydrophobicContact CE1-CH2 4.02Å; F109-W225 HydrophobicContact CE1-CZ3 4.3Å; F109-W225 HydrophobicContact CZ-CH2 4.5Å; F109-W225 HydrophobicContact CZ-CZ3 4.4Å; Y114-W225 HydrophobicContact CE1-CH2 4.24Å; Y114-W225 AromaticContact CE1-CZ2 3.6Å; Y114-W225 HydrophobicContact CE1-CZ2 3.6Å; Y114-W225 AromaticContact CZ-CZ2 3.85Å; Y114-W225 WeakPolarHBondContact OH-CZ2 3.36Å; W225-F229 VanDerWaalsContact O-CB 3.25Å; W225-F229 WeakPolarHBondContact O-CB 3.29Å; W225-F229 PolarHBondContact O-N 2.72Å; W225-F267 HydrophobicContact CB-CD2 3.65Å; W225-F267 HydrophobicContact CB-CE2 3.93Å; W225-F267 HydrophobicContact CB-CG 4.42Å; W225-L268 VanDerWaalsContact CB-O 3.3Å; W225-L268 WeakPolarHBondContact CB-O 3.45Å; W225-T271 PolarHBondContact NE1-O 2.71Å; W225-E276 VanDerWaalsContact CD1-OE1 3.25Å
226	V	97.8	Very high	95.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-69.5	-47.1	-180	-177.1	0	0	0	0	109.6	F109 Y114 L117 I118 N224 F229 L230	F109-V226 HydrophobicContact CD1-CG1 4.45Å; F109-V226 HydrophobicContact CE1-CG1 3.98Å; Y114-V226 HydrophobicContact CD1-CG1 4.49Å; Y114-V226 HydrophobicContact CD1-CG2 3.71Å; Y114-V226 HydrophobicContact CE1-CG2 3.51Å; L117-V226 HydrophobicContact CD2-CB 4.11Å; L117-V226 HydrophobicContact CD2-CG1 4.4Å; L117-V226 HydrophobicContact CD2-CG2 4.24Å; I118-V226 HydrophobicContact CD1-CG1 4.33Å; I118-V226 HydrophobicContact CG1-CG1 4.01Å; N224-V226 PolarHBondContact O-N 3.1Å; N224-V226 VanDerWaalsContact OD1-CB 3.3Å; N224-V226 WeakPolarHBondContact OD1-CB 3.38Å; N224-V226 PolarHBondContact OD1-N 3.31Å; N224-V226 VanDerWaalsContact OD1-N 3.07Å; V226-F229 PolarHBondContact O-N 2.83Å; V226-L230 HydrophobicContact CG1-CD1 4.27Å; V226-L230 WeakPolarHBondContact O-CG 3.05Å; V226-L230 PolarHBondContact O-N 3.03Å
227	R	97.7	Very high	96.4	Very high	9 Å²	9	24.6 Å²	24.6	3%	0.034	14%	0.143	C	C	.	.	H	α-helix	trans	-57.2	-51.9	173.3	178.5	61.9	171.9	179.5	-3.4	111.6	H121 F203 L204 M222 N224 F229 L230 L231	H121-R227 VanDerWaalsContact CB-NH1 3.33Å; H121-R227 PolarHBondContact O-NH1 2.97Å; H121-R227 VanDerWaalsContact O-NH1 3.17Å; F203-R227 VanDerWaalsContact O-CB 3.24Å; F203-R227 WeakPolarHBondContact O-CB 3.18Å; L204-R227 WeakPolarHBondContact O-CG 3.47Å; L204-R227 PolarHBondContact O-NE 2.94Å; M222-R227 HydrophobicContact CG-CG 4.09Å; M222-R227 HydrophobicContact SD-CG 3.92Å; N224-R227 HydrophobicContact CB-CB 4.41Å; N224-R227 PolarHBondContact OD1-N 3.39Å; N224-R227 VanDerWaalsContact OD1-N 3.1Å; R227-F229 PolarHBondContact O-N 2.96Å; R227-L230 PolarHBondContact O-N 3.43Å; R227-L231 HydrophobicContact CG-CD1 4.14Å; R227-L231 WeakPolarHBondContact O-CG 3.22Å; R227-L231 PolarHBondContact O-N 2.91Å; R227-L231 VanDerWaalsContact O-N 3.15Å
228	Y	98.3	Very high	96.8	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-55.2	-51.7	177.3	-177.9	-76.5	0	0	0	111.3	L100 F101 M222 N224 L230 L231 E232 I237 Y239 I253 Y255 F267	L100-Y228 HydrophobicContact CB-CE1 4.22Å; L100-Y228 HydrophobicContact CD2-CE1 4.04Å; F101-Y228 AromaticContact CD2-CD1 3.76Å; F101-Y228 HydrophobicContact CD2-CD1 3.76Å; F101-Y228 AromaticContact CD2-CE1 3.92Å; F101-Y228 HydrophobicContact CD2-CE1 3.92Å; F101-Y228 AromaticContact CE2-CD1 3.41Å; F101-Y228 HydrophobicContact CE2-CD1 3.41Å; F101-Y228 VanDerWaalsContact CE2-CD1 3.41Å; F101-Y228 AromaticContact CE2-CE1 3.86Å; F101-Y228 HydrophobicContact CE2-CE1 3.86Å; F101-Y228 HydrophobicContact CE2-CG 4.39Å; M222-Y228 HydrophobicContact CE-CD2 4.27Å; N224-Y228 PolarHBondContact O-N 3.17Å; N224-Y228 VanDerWaalsContact O-N 3.12Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 3.49Å; Y228-L231 PolarHBondContact O-N 2.67Å; Y228-E232 HydrophobicContact CD1-CB 4.39Å; Y228-E232 HydrophobicContact CE1-CB 4.13Å; Y228-E232 HydrophobicContact CE1-CG 4.44Å; Y228-E232 WeakPolarHBondContact CE1-OE1 3.35Å; Y228-E232 WeakPolarHBondContact O-CB 3.2Å; Y228-E232 PolarHBondContact O-N 3.24Å; Y228-E232 PolarHBondContact OH-OE1 3.41Å; Y228-I237 HydrophobicContact CD1-CD1 4.41Å; Y228-I237 HydrophobicContact CD2-CD1 3.55Å; Y228-I237 HydrophobicContact CD2-CG2 4.47Å; Y228-I237 HydrophobicContact CE1-CG2 4.19Å; Y228-I237 HydrophobicContact CE2-CD1 3.83Å; Y228-I237 HydrophobicContact CE2-CG2 3.7Å; Y228-I237 HydrophobicContact CG-CD1 3.88Å; Y228-I237 WeakPolarHBondContact OH-CG2 3.3Å; Y228-Y239 WeakPolarHBondContact OH-CB 3.39Å; Y228-I253 HydrophobicContact CD2-CD1 4.03Å; Y228-I253 HydrophobicContact CE1-CD1 4.41Å; Y228-I253 HydrophobicContact CE2-CD1 3.31Å; Y228-Y255 HydrophobicContact CD2-CD1 4.29Å; Y228-Y255 HydrophobicContact CD2-CE1 4.18Å; Y228-Y255 AromaticContact CE2-CD1 3.59Å; Y228-Y255 HydrophobicContact CE2-CD1 3.59Å; Y228-Y255 HydrophobicContact CE2-CD2 4.19Å; Y228-Y255 AromaticContact CE2-CE1 3.94Å; Y228-Y255 HydrophobicContact CE2-CE1 3.94Å; Y228-Y255 AromaticContact CE2-CG 3.71Å; Y228-Y255 HydrophobicContact CE2-CG 3.71Å; Y228-F267 HydrophobicContact CD1-CZ 4.1Å; Y228-F267 AromaticContact CD2-CE1 3.67Å; Y228-F267 HydrophobicContact CD2-CE1 3.67Å; Y228-F267 HydrophobicContact CD2-CZ 4.04Å; Y228-F267 HydrophobicContact CE1-CZ 4.5Å; Y228-F267 HydrophobicContact CE2-CE1 4.23Å; Y228-F267 HydrophobicContact CE2-CZ 4.46Å; Y228-F267 AromaticContact CG-CE1 3.84Å; Y228-F267 HydrophobicContact CG-CE1 3.84Å; Y228-F267 AromaticContact CG-CZ 3.85Å; Y228-F267 HydrophobicContact CG-CZ 3.85Å
229	F	97.8	Very high	97.1	Very high	13 Å²	13	23.8 Å²	23.8	6%	0.057	14%	0.135	C	C	.	.	H	α-helix	trans	-58.3	-44.8	-178.5	164.1	-107.7	0	0	0	112.3	F101 I104 F109 W225 V226 R227 L231 E232 K233	F101-F229 HydrophobicContact CB-CD2 3.59Å; F101-F229 HydrophobicContact CB-CE2 4.13Å; F101-F229 HydrophobicContact CD1-CD2 4.41Å; F101-F229 HydrophobicContact CD2-CB 4.01Å; F101-F229 HydrophobicContact CD2-CD2 4.26Å; F101-F229 HydrophobicContact CE2-CB 4.19Å; F101-F229 HydrophobicContact CG-CB 4.23Å; F101-F229 AromaticContact CG-CD2 3.84Å; F101-F229 HydrophobicContact CG-CD2 3.84Å; F101-F229 HydrophobicContact CG-CG 4.46Å; I104-F229 HydrophobicContact CB-CE1 4.45Å; I104-F229 HydrophobicContact CB-CE2 4.08Å; I104-F229 HydrophobicContact CB-CZ 3.95Å; I104-F229 HydrophobicContact CD1-CB 3.86Å; I104-F229 HydrophobicContact CD1-CD1 3.73Å; I104-F229 HydrophobicContact CD1-CD2 3.16Å; I104-F229 HydrophobicContact CD1-CE1 4.02Å; I104-F229 HydrophobicContact CD1-CE2 3.46Å; I104-F229 VanDerWaalsContact CD1-CE2 3.46Å; I104-F229 HydrophobicContact CD1-CG 3.25Å; I104-F229 HydrophobicContact CD1-CZ 3.87Å; I104-F229 HydrophobicContact CG1-CD2 3.85Å; I104-F229 HydrophobicContact CG1-CE2 3.65Å; I104-F229 HydrophobicContact CG1-CG 4.34Å; I104-F229 HydrophobicContact CG1-CZ 4.03Å; F109-F229 HydrophobicContact CE2-CD1 4.06Å; F109-F229 AromaticContact CE2-CE1 3.58Å; F109-F229 HydrophobicContact CE2-CE1 3.58Å; F109-F229 AromaticContact CZ-CD1 3.69Å; F109-F229 HydrophobicContact CZ-CD1 3.69Å; F109-F229 AromaticContact CZ-CE1 3.68Å; F109-F229 HydrophobicContact CZ-CE1 3.68Å; W225-F229 VanDerWaalsContact O-CB 3.25Å; W225-F229 WeakPolarHBondContact O-CB 3.29Å; W225-F229 PolarHBondContact O-N 2.72Å; V226-F229 PolarHBondContact O-N 2.83Å; R227-F229 PolarHBondContact O-N 2.96Å; F229-L231 VanDerWaalsContact C-N 3.34Å; F229-L231 PolarHBondContact O-N 3.2Å; F229-E232 PolarHBondContact O-N 2.91Å; F229-K233 HydrophobicContact CE1-CD 4.05Å; F229-K233 HydrophobicContact CE2-CB 4.3Å; F229-K233 HydrophobicContact CE2-CD 4.45Å; F229-K233 HydrophobicContact CZ-CB 4.35Å; F229-K233 HydrophobicContact CZ-CD 3.76Å; F229-K233 HydrophobicContact CZ-CG 4.42Å; F229-K233 VanDerWaalsContact O-CB 3.24Å; F229-K233 WeakPolarHBondContact O-CB 3.47Å; F229-K233 PolarHBondContact O-N 2.9Å
230	L	97.1	Very high	97.2	Very high	35 Å²	35	24.9 Å²	24.9	18%	0.183	14%	0.14	C	C	.	.	H	α-helix	trans	-65.1	-39.3	-177.6	-73.7	179.8	0	0	0	111.8	I118 V226 R227 Y228 K233 T234	I118-L230 HydrophobicContact CB-CD1 4.42Å; I118-L230 HydrophobicContact CD1-CD1 4.1Å; I118-L230 HydrophobicContact CG1-CD1 3.74Å; I118-L230 HydrophobicContact CG2-CD1 3.97Å; V226-L230 HydrophobicContact CG1-CD1 4.27Å; V226-L230 WeakPolarHBondContact O-CG 3.05Å; V226-L230 PolarHBondContact O-N 3.03Å; R227-L230 PolarHBondContact O-N 3.43Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 3.49Å; L230-K233 PolarHBondContact O-N 3.03Å; L230-T234 WeakPolarHBondContact O-CG2 3.45Å; L230-T234 PolarHBondContact O-N 3.18Å; L230-T234 VanDerWaalsContact O-N 3.15Å; L230-T234 PolarHBondContact O-OG1 3.07Å
231	L	97.6	Very high	97.5	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-69.5	-37.7	174.4	-66.5	172.6	0	0	0	112.6	M222 R227 Y228 F229 T234 G235 E236 I237 W257	M222-L231 HydrophobicContact CE-CD1 4.49Å; M222-L231 HydrophobicContact SD-CD1 3.63Å; R227-L231 HydrophobicContact CG-CD1 4.14Å; R227-L231 WeakPolarHBondContact O-CG 3.22Å; R227-L231 PolarHBondContact O-N 2.91Å; R227-L231 VanDerWaalsContact O-N 3.15Å; Y228-L231 PolarHBondContact O-N 2.67Å; F229-L231 VanDerWaalsContact C-N 3.34Å; F229-L231 PolarHBondContact O-N 3.2Å; L231-T234 WeakPolarHBondContact CA-OG1 3.26Å; L231-T234 PolarHBondContact O-N 2.93Å; L231-T234 PolarHBondContact O-OG1 3.27Å; L231-T234 VanDerWaalsContact O-OG1 3.07Å; L231-G235 PolarHBondContact O-N 2.58Å; L231-E236 HydrophobicContact CB-CB 4.31Å; L231-E236 HydrophobicContact CD2-CB 4.3Å; L231-E236 WeakPolarHBondContact O-CB 3.28Å; L231-E236 PolarHBondContact O-N 3.17Å; L231-I237 HydrophobicContact CB-CB 4.46Å; L231-I237 HydrophobicContact CB-CD1 3.57Å; L231-I237 HydrophobicContact CB-CG1 3.7Å; L231-I237 HydrophobicContact CD1-CD1 3.98Å; L231-I237 HydrophobicContact CD1-CG1 4.4Å; L231-I237 HydrophobicContact CG-CD1 4.44Å; L231-I237 PolarHBondContact O-N 3.41Å; L231-W257 HydrophobicContact CD1-CD2 3.99Å; L231-W257 HydrophobicContact CD1-CE3 4.43Å; L231-W257 HydrophobicContact CD1-CH2 4.3Å; L231-W257 HydrophobicContact CD1-CZ2 3.78Å; L231-W257 HydrophobicContact CD2-CZ2 3.98Å
232	E	98.1	Very high	97.6	Very high	13 Å²	13	25.6 Å²	25.6	6%	0.061	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-41.1	174.6	-173.8	177.3	-112.4	0	0	111.1	P99 L100 F101 Y228 F229 T234 G235 I237	P99-E232 WeakPolarHBondContact CA-OE1 3.34Å; P99-E232 HydrophobicContact CB-CG 3.94Å; L100-E232 WeakPolarHBondContact CB-OE1 3.4Å; L100-E232 VanDerWaalsContact N-CD 3.33Å; L100-E232 PolarHBondContact N-OE1 3.45Å; L100-E232 PolarHBondContact N-OE2 2.87Å; F101-E232 WeakPolarHBondContact CB-OE2 3.37Å; F101-E232 WeakPolarHBondContact CD2-OE2 3.49Å; F101-E232 PolarHBondContact N-OE2 2.97Å; Y228-E232 HydrophobicContact CD1-CB 4.39Å; Y228-E232 HydrophobicContact CE1-CB 4.13Å; Y228-E232 HydrophobicContact CE1-CG 4.44Å; Y228-E232 WeakPolarHBondContact CE1-OE1 3.35Å; Y228-E232 WeakPolarHBondContact O-CB 3.2Å; Y228-E232 PolarHBondContact O-N 3.24Å; Y228-E232 PolarHBondContact OH-OE1 3.41Å; F229-E232 PolarHBondContact O-N 2.91Å; E232-T234 VanDerWaalsContact C-N 3.31Å; E232-T234 PolarHBondContact O-N 2.79Å; E232-G235 PolarHBondContact O-N 3.01Å; E232-I237 HydrophobicContact CB-CB 4.11Å; E232-I237 HydrophobicContact CB-CG2 4.26Å
233	K	96.1	Very high	97.5	Very high	112 Å²	112	27.2 Å²	27.2	49%	0.487	15%	0.148	S	C	.	.	H	α-helix	trans	-64.3	-33.5	177.7	-174.2	-172.7	176.2	-167	0	112.5	F229 L230 G235	F229-K233 HydrophobicContact CE1-CD 4.05Å; F229-K233 HydrophobicContact CE2-CB 4.3Å; F229-K233 HydrophobicContact CE2-CD 4.45Å; F229-K233 HydrophobicContact CZ-CB 4.35Å; F229-K233 HydrophobicContact CZ-CD 3.76Å; F229-K233 HydrophobicContact CZ-CG 4.42Å; F229-K233 VanDerWaalsContact O-CB 3.24Å; F229-K233 WeakPolarHBondContact O-CB 3.47Å; F229-K233 PolarHBondContact O-N 2.9Å; L230-K233 PolarHBondContact O-N 3.03Å; K233-G235 VanDerWaalsContact C-N 3.28Å
234	T	96	Very high	97.4	Very high	74 Å²	74	30.4 Å²	30.4	45%	0.454	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.1	174.9	54.8	0	0	0	0	113.3	L230 L231 E232 E236	L230-T234 WeakPolarHBondContact O-CG2 3.45Å; L230-T234 PolarHBondContact O-N 3.18Å; L230-T234 VanDerWaalsContact O-N 3.15Å; L230-T234 PolarHBondContact O-OG1 3.07Å; L231-T234 WeakPolarHBondContact CA-OG1 3.26Å; L231-T234 PolarHBondContact O-N 2.93Å; L231-T234 PolarHBondContact O-OG1 3.27Å; L231-T234 VanDerWaalsContact O-OG1 3.07Å; E232-T234 VanDerWaalsContact C-N 3.31Å; E232-T234 PolarHBondContact O-N 2.79Å; T234-E236 VanDerWaalsContact C-N 3.33Å; T234-E236 PolarHBondContact OG1-OE1 3.49Å
235	G	96.8	Very high	97.2	Very high	62 Å²	62	34.4 Å²	34.4	64%	0.639	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	15.1	179.3	0	0	0	0	0	114.1	L231 E232 K233	L231-G235 PolarHBondContact O-N 2.58Å; E232-G235 PolarHBondContact O-N 3.01Å; K233-G235 VanDerWaalsContact C-N 3.28Å
236	E	97.6	Very high	97	Very high	50 Å²	50	35.2 Å²	35.2	23%	0.234	19%	0.186	C	C	.	.			trans	-83.9	-28.8	177.8	-64.6	-179.8	-113.9	0	0	112.5	R126 L231 T234 W257 G258	R126-E236 IonicContact CZ-OE2 2.99Å; R126-E236 VanDerWaalsContact CZ-OE2 3.26Å; R126-E236 IonicContact NH1-OE2 3.26Å; R126-E236 PolarHBondContact NH1-OE2 3.21Å; R126-E236 IonicContact NH2-OE1 2.72Å; R126-E236 IonicContact NH2-OE2 3.69Å; R126-E236 PolarHBondContact NH2-OE2 2.99Å; L231-E236 HydrophobicContact CB-CB 4.31Å; L231-E236 HydrophobicContact CD2-CB 4.3Å; L231-E236 WeakPolarHBondContact O-CB 3.28Å; L231-E236 PolarHBondContact O-N 3.17Å; T234-E236 VanDerWaalsContact C-N 3.33Å; T234-E236 PolarHBondContact OG1-OE1 3.49Å; E236-W257 WeakPolarHBondContact O-CA 3.26Å; E236-W257 PolarHBondContact OE2-NE1 3Å; E236-G258 PolarHBondContact O-N 3.38Å
237	I	98.1	Very high	96.4	Very high	11 Å²	11	40.4 Å²	40.4	6%	0.056	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.5	173.9	-75.7	177.4	0	0	0	110.7	M222 Y228 L231 E232 Y255 D256 W257	M222-I237 HydrophobicContact CE-CD1 3.65Å; M222-I237 HydrophobicContact SD-CD1 4.39Å; Y228-I237 HydrophobicContact CD1-CD1 4.41Å; Y228-I237 HydrophobicContact CD2-CD1 3.55Å; Y228-I237 HydrophobicContact CD2-CG2 4.47Å; Y228-I237 HydrophobicContact CE1-CG2 4.19Å; Y228-I237 HydrophobicContact CE2-CD1 3.83Å; Y228-I237 HydrophobicContact CE2-CG2 3.7Å; Y228-I237 HydrophobicContact CG-CD1 3.88Å; Y228-I237 WeakPolarHBondContact OH-CG2 3.3Å; L231-I237 HydrophobicContact CB-CB 4.46Å; L231-I237 HydrophobicContact CB-CD1 3.57Å; L231-I237 HydrophobicContact CB-CG1 3.7Å; L231-I237 HydrophobicContact CD1-CD1 3.98Å; L231-I237 HydrophobicContact CD1-CG1 4.4Å; L231-I237 HydrophobicContact CG-CD1 4.44Å; L231-I237 PolarHBondContact O-N 3.41Å; E232-I237 HydrophobicContact CB-CB 4.11Å; E232-I237 HydrophobicContact CB-CG2 4.26Å; I237-Y255 HydrophobicContact CG1-CD2 4.49Å; I237-Y255 HydrophobicContact CG2-CD2 4.35Å; I237-Y255 HydrophobicContact CG2-CG 4.44Å; I237-D256 CarbonylContact C-O 3.55Å; I237-D256 VanDerWaalsContact CA-O 3.28Å; I237-D256 WeakPolarHBondContact CA-O 3.15Å; I237-W257 HydrophobicContact CG1-CB 4.36Å; I237-W257 HydrophobicContact CG1-CG 4.44Å
238	N	97.8	Very high	96	Very high	60 Å²	60	43.6 Å²	43.6	32%	0.321	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	104.9	165	-173.4	13.1	0	0	0	110.3	D94 K240 Y255 D256	D94-N238 PolarHBondContact OD2-ND2 3.39Å; D94-N238 PolarHBondContact OD2-OD1 3.38Å; N238-K240 WeakPolarHBondContact ND2-CE 3.19Å; N238-K240 PolarHBondContact ND2-NZ 3.23Å; N238-Y255 CarbonylContact O-C 3.57Å; N238-Y255 WeakPolarHBondContact O-CA 3.48Å; N238-Y255 WeakPolarHBondContact O-CB 3.33Å; N238-D256 HydrophobicContact CB-CB 4.46Å; N238-D256 PolarHBondContact N-O 3.15Å; N238-D256 PolarHBondContact O-N 3.31Å
239	Y	98.3	Very high	95.8	Very high	2 Å²	2	44 Å²	44	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	131.6	174.3	175.1	-130.7	0	0	0	111.2	Y83 A96 L100 Y228 G241 Y242 I253	Y83-Y239 WeakPolarHBondContact O-CE1 3.48Å; Y83-Y239 PolarHBondContact O-OH 2.84Å; A96-Y239 HydrophobicContact CB-CD1 3.4Å; A96-Y239 HydrophobicContact CB-CE1 3.39Å; A96-Y239 HydrophobicContact CB-CG 4.1Å; L100-Y239 HydrophobicContact CB-CD1 3.8Å; L100-Y239 HydrophobicContact CB-CD2 4.21Å; L100-Y239 HydrophobicContact CB-CE1 4.1Å; L100-Y239 HydrophobicContact CB-CE2 4.48Å; L100-Y239 HydrophobicContact CB-CG 3.87Å; L100-Y239 HydrophobicContact CD1-CE1 4.08Å; L100-Y239 HydrophobicContact CD1-CE2 4.38Å; Y228-Y239 WeakPolarHBondContact OH-CB 3.39Å; Y239-G241 VanDerWaalsContact CE2-O 3.22Å; Y239-G241 WeakPolarHBondContact CE2-O 3.09Å; Y239-G241 VanDerWaalsContact CZ-C 3.44Å; Y239-G241 VanDerWaalsContact CZ-CA 3.48Å; Y239-G241 WeakPolarHBondContact OH-CA 3.18Å; Y239-Y242 WeakPolarHBondContact OH-CB 3.31Å; Y239-Y242 PolarHBondContact OH-N 2.81Å; Y239-I253 HydrophobicContact CD2-CB 4.34Å; Y239-I253 HydrophobicContact CD2-CD1 4.34Å; Y239-I253 HydrophobicContact CE2-CB 3.87Å; Y239-I253 HydrophobicContact CE2-CG2 3.71Å
240	K	97.8	Very high	95.7	Very high	27 Å²	27	43.4 Å²	43.4	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-12.2	-175.4	-61.6	-63.9	-176	173.7	0	114.8	D94 K95 A96 N238 K254 D256	D94-K240 HydrophobicContact CB-CD 3.84Å; D94-K240 WeakPolarHBondContact OD2-CD 3.47Å; D94-K240 IonicContact OD2-NZ 2.79Å; D94-K240 PolarHBondContact OD2-NZ 2.66Å; K95-K240 PolarHBondContact N-O 2.93Å; A96-K240 VanDerWaalsContact CB-C 3.47Å; N238-K240 WeakPolarHBondContact ND2-CE 3.19Å; N238-K240 PolarHBondContact ND2-NZ 3.23Å; K240-K254 HydrophobicContact CB-CB 4.08Å; K240-K254 HydrophobicContact CB-CD 4.47Å; K240-K254 HydrophobicContact CB-CG 3.96Å; K240-K254 WeakPolarHBondContact CB-O 3.47Å; K240-K254 HydrophobicContact CG-CG 4.4Å; K240-K254 PolarHBondContact N-O 3.29Å; K240-D256 WeakPolarHBondContact CE-OD2 3.46Å; K240-D256 IonicContact NZ-OD2 3.89Å; K240-D256 PolarHBondContact NZ-OD2 3.43Å
241	G	97.8	Very high	95.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.7	164.1	-178.8	0	0	0	0	0	112.4	N85 Y239 K254	N85-G241 WeakPolarHBondContact O-CA 3.47Å; Y239-G241 VanDerWaalsContact CE2-O 3.22Å; Y239-G241 WeakPolarHBondContact CE2-O 3.09Å; Y239-G241 VanDerWaalsContact CZ-C 3.44Å; Y239-G241 VanDerWaalsContact CZ-CA 3.48Å; Y239-G241 WeakPolarHBondContact OH-CA 3.18Å; G241-K254 PolarHBondContact O-N 2.88Å
242	Y	97.4	Very high	95.7	Very high	52 Å²	52	41.7 Å²	41.7	20%	0.204	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	149.9	176.9	74.3	-83.1	0	0	0	109.7	Y83 N85 L86 T87 Y239 K245	Y83-Y242 WeakPolarHBondContact O-CD1 3.16Å; N85-Y242 VanDerWaalsContact C-CE1 3.48Å; N85-Y242 WeakPolarHBondContact O-CD1 3.23Å; N85-Y242 PolarHBondContact O-N 2.77Å; L86-Y242 CarbonylContact C-O 3.47Å; L86-Y242 WeakPolarHBondContact CA-O 3.32Å; L86-Y242 HydrophobicContact CB-CE1 4.21Å; L86-Y242 HydrophobicContact CB-CE2 4.36Å; L86-Y242 HydrophobicContact CD1-CD2 3.91Å; L86-Y242 HydrophobicContact CD1-CE2 3.51Å; T87-Y242 PolarHBondContact N-O 3.01Å; Y239-Y242 WeakPolarHBondContact OH-CB 3.31Å; Y239-Y242 PolarHBondContact OH-N 2.81Å; Y242-K245 HydrophobicContact CD2-CD 4.12Å; Y242-K245 HydrophobicContact CD2-CG 4.19Å; Y242-K245 HydrophobicContact CE2-CD 4.2Å; Y242-K245 HydrophobicContact CE2-CG 4.36Å
243	I	95.4	Very high	95.7	Very high	35 Å²	35	41 Å²	41	18%	0.179	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-49.8	171.7	-61.7	166.4	0	0	0	107.7	L86 T87 M89 T252 I264	L86-I243 WeakPolarHBondContact CD1-O 3.44Å; T87-I243 HydrophobicContact CG2-CG1 4.11Å; M89-I243 HydrophobicContact CG-CD1 4.14Å; I243-T252 HydrophobicContact CB-CG2 4.09Å; I243-T252 HydrophobicContact CD1-CG2 4.42Å; I243-T252 HydrophobicContact CG2-CG2 4.46Å; I243-T252 PolarHBondContact N-O 2.83Å; I243-I264 HydrophobicContact CD1-CB 4.12Å; I243-I264 HydrophobicContact CD1-CD1 4.17Å; I243-I264 HydrophobicContact CD1-CG1 4.02Å
244	E	95.2	Very high	95.7	Very high	77 Å²	77	36.3 Å²	36.3	36%	0.36	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	159.2	175.9	-63	176	132	0	0	111	T252 L322	E244-T252 PolarHBondContact N-O 3.38Å; E244-T252 PolarHBondContact O-N 3.07Å; E244-L322 HydrophobicContact CB-CD1 3.93Å
245	K	94.9	Very high	95.8	Very high	84 Å²	84	32.8 Å²	32.8	37%	0.365	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	151	176.4	61.2	179.5	-175.6	63.1	0	111.9	Y83 Y242 L250 V251	Y83-K245 HydrophobicContact CD1-CD 3.63Å; Y83-K245 HydrophobicContact CD2-CD 3.83Å; Y83-K245 HydrophobicContact CE1-CB 4.11Å; Y83-K245 HydrophobicContact CE1-CD 3.67Å; Y83-K245 HydrophobicContact CE2-CD 3.84Å; Y83-K245 HydrophobicContact CG-CD 3.73Å; Y242-K245 HydrophobicContact CD2-CD 4.12Å; Y242-K245 HydrophobicContact CD2-CG 4.19Å; Y242-K245 HydrophobicContact CE2-CD 4.2Å; Y242-K245 HydrophobicContact CE2-CG 4.36Å; K245-L250 CarbonylContact C-O 3.45Å; K245-L250 WeakPolarHBondContact CA-O 2.98Å; K245-V251 HydrophobicContact CB-CG1 4.48Å
246	V	93.1	Very high	95.8	Very high	18 Å²	18	31.1 Å²	31.1	11%	0.109	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	113.7	167.9	171.7	0	0	0	0	109	N248 L249 L250 Q300 L322	V246-N248 PolarHBondContact O-N 3.07Å; V246-L249 PolarHBondContact O-N 3.41Å; V246-L250 PolarHBondContact N-O 3.19Å; V246-L250 PolarHBondContact O-N 2.7Å; V246-Q300 HydrophobicContact CG1-CB 3.7Å; V246-Q300 VanDerWaalsContact CG1-CD 3.42Å; V246-Q300 HydrophobicContact CG1-CG 3.34Å; V246-L322 HydrophobicContact CB-CD2 4.34Å; V246-L322 HydrophobicContact CG2-CD1 3.66Å; V246-L322 HydrophobicContact CG2-CD2 3.39Å; V246-L322 HydrophobicContact CG2-CG 4.17Å
247	D	85.6	Confident	95.8	Very high	109 Å²	109	28.8 Å²	28.8	58%	0.583	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	42.5	-116.6	-178.8	-65.4	-35.7	0	0	0	113.5	Y83 Q300	Y83-D247 PolarHBondContact OH-O 2.86Å; D247-Q300 PolarHBondContact OD2-NE2 3.43Å
248	N	88.9	Confident	95.6	Very high	76 Å²	76	30.9 Å²	30.9	41%	0.406	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	31.1	169.8	-72.7	-22.2	0	0	0	110.1	V246 V269	V246-N248 PolarHBondContact O-N 3.07Å; N248-V269 WeakPolarHBondContact O-CB 3.35Å
249	L	94.4	Very high	95.4	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.052	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-37.4	-168.7	179.4	62.2	0	0	0	113.2	V246 L268 V269 I297 M302	V246-L249 PolarHBondContact O-N 3.41Å; L249-L268 CarbonylContact O-C 3.54Å; L249-L268 VanDerWaalsContact O-CA 3.31Å; L249-L268 WeakPolarHBondContact O-CA 3.03Å; L249-V269 PolarHBondContact O-N 3.48Å; L249-I297 HydrophobicContact CD1-CG2 4.01Å; L249-I297 HydrophobicContact CD2-CB 3.97Å; L249-I297 HydrophobicContact CD2-CG2 3.74Å; L249-M302 HydrophobicContact CD2-CE 3.61Å; L249-M302 HydrophobicContact CD2-SD 4.2Å; L249-M302 HydrophobicContact CG-CE 4.18Å; L249-M302 HydrophobicContact CG-SD 4.31Å
250	L	96.6	Very high	95.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.3	177.6	-176.3	153.3	0	0	0	109.3	K245 V246 L268 M302 P320 L322	K245-L250 CarbonylContact C-O 3.45Å; K245-L250 WeakPolarHBondContact CA-O 2.98Å; V246-L250 PolarHBondContact N-O 3.19Å; V246-L250 PolarHBondContact O-N 2.7Å; L250-L268 HydrophobicContact CB-CD2 4.29Å; L250-L268 HydrophobicContact CD1-CD2 4.16Å; L250-M302 HydrophobicContact CB-SD 4.06Å; L250-M302 HydrophobicContact CD1-CG 4.11Å; L250-M302 HydrophobicContact CD1-SD 3.73Å; L250-P320 HydrophobicContact CD1-CB 3.85Å; L250-P320 HydrophobicContact CD1-CG 4.42Å; L250-L322 HydrophobicContact CD1-CD2 4.17Å; L250-L322 HydrophobicContact CD2-CD1 4.36Å; L250-L322 HydrophobicContact CD2-CD2 3.96Å; L250-L322 HydrophobicContact CD2-CG 3.88Å
251	V	97.5	Very high	95.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.1	172.1	-57.3	0	0	0	0	109.9	L81 Y83 L100 K245 I253 S266 F267 V269	L81-V251 HydrophobicContact CD1-CG1 4.05Å; Y83-V251 HydrophobicContact CE1-CG1 3.68Å; L100-V251 HydrophobicContact CD2-CG2 4.4Å; K245-V251 HydrophobicContact CB-CG1 4.48Å; V251-I253 HydrophobicContact CB-CG2 3.92Å; V251-I253 HydrophobicContact CG2-CG2 3.96Å; V251-S266 WeakPolarHBondContact O-CA 3.34Å; V251-S266 WeakPolarHBondContact O-CB 3.3Å; V251-F267 HydrophobicContact CG2-CD2 3.65Å; V251-F267 HydrophobicContact CG2-CE1 4.18Å; V251-F267 HydrophobicContact CG2-CE2 3.21Å; V251-F267 HydrophobicContact CG2-CG 4.3Å; V251-F267 HydrophobicContact CG2-CZ 3.52Å; V251-F267 PolarHBondContact N-O 3.37Å; V251-F267 VanDerWaalsContact N-O 3.16Å; V251-F267 PolarHBondContact O-N 3.07Å; V251-F267 VanDerWaalsContact O-N 3.08Å; V251-V269 HydrophobicContact CG1-CG2 4.13Å; V251-V269 HydrophobicContact CG2-CG2 4.11Å
252	T	97.1	Very high	94.9	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.4	165	-56.3	0	0	0	0	106.3	I243 E244 I264 G265	I243-T252 HydrophobicContact CB-CG2 4.09Å; I243-T252 HydrophobicContact CD1-CG2 4.42Å; I243-T252 HydrophobicContact CG2-CG2 4.46Å; I243-T252 PolarHBondContact N-O 2.83Å; E244-T252 PolarHBondContact N-O 3.38Å; E244-T252 PolarHBondContact O-N 3.07Å; T252-I264 HydrophobicContact CG2-CD1 3.72Å; T252-I264 HydrophobicContact CG2-CG1 3.6Å; T252-G265 WeakPolarHBondContact CA-O 3.45Å
253	I	97.5	Very high	94.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	162.5	-167.8	59.3	166.1	0	0	0	112.1	L100 Y228 Y239 V251 Y255 G265 F267	L100-I253 HydrophobicContact CD2-CD1 3.93Å; L100-I253 HydrophobicContact CD2-CG2 4.29Å; Y228-I253 HydrophobicContact CD2-CD1 4.03Å; Y228-I253 HydrophobicContact CE1-CD1 4.41Å; Y228-I253 HydrophobicContact CE2-CD1 3.31Å; Y239-I253 HydrophobicContact CD2-CB 4.34Å; Y239-I253 HydrophobicContact CD2-CD1 4.34Å; Y239-I253 HydrophobicContact CE2-CB 3.87Å; Y239-I253 HydrophobicContact CE2-CG2 3.71Å; V251-I253 HydrophobicContact CB-CG2 3.92Å; V251-I253 HydrophobicContact CG2-CG2 3.96Å; I253-Y255 HydrophobicContact CD1-CD1 3.7Å; I253-Y255 HydrophobicContact CD1-CE1 4.17Å; I253-Y255 HydrophobicContact CG1-CD1 3.87Å; I253-Y255 HydrophobicContact CG1-CE1 4.2Å; I253-G265 WeakPolarHBondContact CG1-O 3.24Å; I253-G265 PolarHBondContact N-O 2.86Å; I253-G265 PolarHBondContact O-N 2.77Å; I253-F267 HydrophobicContact CD1-CE1 3.53Å; I253-F267 HydrophobicContact CD1-CZ 3.68Å; I253-F267 HydrophobicContact CG1-CE1 4.06Å; I253-F267 HydrophobicContact CG1-CZ 4.45Å
254	K	96.5	Very high	94.6	Very high	12 Å²	12	40.6 Å²	40.6	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.5	167	-174	168.3	-173.5	157.7	0	109.2	T87 M89 E91 K240 G241 K262	T87-K254 HydrophobicContact CG2-CB 3.82Å; T87-K254 HydrophobicContact CG2-CD 4.44Å; M89-K254 PolarHBondContact O-NZ 3.44Å; E91-K254 VanDerWaalsContact O-CE 3.29Å; E91-K254 WeakPolarHBondContact O-CE 3.4Å; E91-K254 PolarHBondContact O-NZ 3.35Å; K240-K254 HydrophobicContact CB-CB 4.08Å; K240-K254 HydrophobicContact CB-CD 4.47Å; K240-K254 HydrophobicContact CB-CG 3.96Å; K240-K254 WeakPolarHBondContact CB-O 3.47Å; K240-K254 HydrophobicContact CG-CG 4.4Å; K240-K254 PolarHBondContact N-O 3.29Å; G241-K254 PolarHBondContact O-N 2.88Å; K254-K262 WeakPolarHBondContact CG-O 3.32Å
255	Y	97.9	Very high	94.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	163.9	177.2	61.3	-90.6	0	0	0	111.6	V219 M222 Y228 I237 N238 I253 K262	V219-Y255 HydrophobicContact CB-CE2 4.47Å; V219-Y255 HydrophobicContact CG1-CE2 4.25Å; V219-Y255 HydrophobicContact CG2-CE2 4.38Å; M222-Y255 HydrophobicContact CE-CD2 4.12Å; M222-Y255 HydrophobicContact CE-CE1 4.38Å; M222-Y255 HydrophobicContact CE-CE2 3.09Å; M222-Y255 WeakPolarHBondContact CE-OH 3.47Å; Y228-Y255 HydrophobicContact CD2-CD1 4.29Å; Y228-Y255 HydrophobicContact CD2-CE1 4.18Å; Y228-Y255 AromaticContact CE2-CD1 3.59Å; Y228-Y255 HydrophobicContact CE2-CD1 3.59Å; Y228-Y255 HydrophobicContact CE2-CD2 4.19Å; Y228-Y255 AromaticContact CE2-CE1 3.94Å; Y228-Y255 HydrophobicContact CE2-CE1 3.94Å; Y228-Y255 AromaticContact CE2-CG 3.71Å; Y228-Y255 HydrophobicContact CE2-CG 3.71Å; I237-Y255 HydrophobicContact CG1-CD2 4.49Å; I237-Y255 HydrophobicContact CG2-CD2 4.35Å; I237-Y255 HydrophobicContact CG2-CG 4.44Å; N238-Y255 CarbonylContact O-C 3.57Å; N238-Y255 WeakPolarHBondContact O-CA 3.48Å; N238-Y255 WeakPolarHBondContact O-CB 3.33Å; I253-Y255 HydrophobicContact CD1-CD1 3.7Å; I253-Y255 HydrophobicContact CD1-CE1 4.17Å; I253-Y255 HydrophobicContact CG1-CD1 3.87Å; I253-Y255 HydrophobicContact CG1-CE1 4.2Å; Y255-K262 HydrophobicContact CD1-CB 4Å; Y255-K262 HydrophobicContact CD1-CG 4.22Å; Y255-K262 HydrophobicContact CD2-CB 3.88Å; Y255-K262 HydrophobicContact CE1-CB 3.72Å; Y255-K262 HydrophobicContact CE1-CG 3.55Å; Y255-K262 HydrophobicContact CE2-CB 3.5Å; Y255-K262 VanDerWaalsContact CE2-CB 3.5Å; Y255-K262 HydrophobicContact CE2-CG 4.06Å; Y255-K262 HydrophobicContact CG-CB 4.09Å; Y255-K262 VanDerWaalsContact CZ-CB 3.43Å; Y255-K262 VanDerWaalsContact CZ-CG 3.43Å; Y255-K262 PolarHBondContact N-O 3.05Å; Y255-K262 WeakPolarHBondContact O-CA 3.27Å; Y255-K262 WeakPolarHBondContact O-CB 3.32Å; Y255-K262 PolarHBondContact O-N 3.08Å; Y255-K262 WeakPolarHBondContact OH-CG 3.34Å
256	D	97	Very high	94.6	Very high	28 Å²	28	33.2 Å²	33.2	15%	0.15	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	146.3	166.1	-58.3	-33.7	0	0	0	109.3	I237 N238 K240 Y260	I237-D256 CarbonylContact C-O 3.55Å; I237-D256 VanDerWaalsContact CA-O 3.28Å; I237-D256 WeakPolarHBondContact CA-O 3.15Å; N238-D256 HydrophobicContact CB-CB 4.46Å; N238-D256 PolarHBondContact N-O 3.15Å; N238-D256 PolarHBondContact O-N 3.31Å; K240-D256 WeakPolarHBondContact CE-OD2 3.46Å; K240-D256 IonicContact NZ-OD2 3.89Å; K240-D256 PolarHBondContact NZ-OD2 3.43Å; D256-Y260 CarbonylContact C-O 3.5Å; D256-Y260 WeakPolarHBondContact CA-O 3Å
257	W	96.8	Very high	94.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	102.7	166	-177.8	13.1	0	0	0	108.4	R126 W207 V219 M222 L231 E236 I237 K259 Y260	R126-W257 HydrophobicContact CB-CH2 4.34Å; R126-W257 HydrophobicContact CG-CH2 4Å; R126-W257 HydrophobicContact CG-CZ2 4.13Å; W207-W257 AromaticContact CD1-CE3 3.6Å; W207-W257 AromaticContact CD1-CZ3 3.89Å; W207-W257 AromaticContact CE2-CD2 3.96Å; W207-W257 AromaticContact CE2-CE2 3.96Å; W207-W257 HydrophobicContact CZ2-CD2 4.28Å; W207-W257 AromaticContact CZ2-CE2 3.89Å; W207-W257 HydrophobicContact CZ2-CG 4.48Å; W207-W257 HydrophobicContact CZ2-CZ2 4.24Å; W207-W257 AromaticContact CZ2-NE1 3.9Å; W207-W257 AromaticContact NE1-CD2 3.12Å; W207-W257 AromaticContact NE1-CE2 3.59Å; W207-W257 AromaticContact NE1-CE3 3.19Å; W207-W257 AromaticContact NE1-CG 3.53Å; W207-W257 AromaticContact NE1-CZ3 3.68Å; V219-W257 HydrophobicContact CG1-CE3 4.09Å; V219-W257 HydrophobicContact CG2-CB 3.6Å; V219-W257 HydrophobicContact CG2-CE3 4.21Å; M222-W257 HydrophobicContact CE-CE3 4.5Å; M222-W257 HydrophobicContact SD-CE3 4.25Å; M222-W257 HydrophobicContact SD-CZ3 4.42Å; L231-W257 HydrophobicContact CD1-CD2 3.99Å; L231-W257 HydrophobicContact CD1-CE3 4.43Å; L231-W257 HydrophobicContact CD1-CH2 4.3Å; L231-W257 HydrophobicContact CD1-CZ2 3.78Å; L231-W257 HydrophobicContact CD2-CZ2 3.98Å; E236-W257 WeakPolarHBondContact O-CA 3.26Å; E236-W257 PolarHBondContact OE2-NE1 3Å; I237-W257 HydrophobicContact CG1-CB 4.36Å; I237-W257 HydrophobicContact CG1-CG 4.44Å; W257-K259 PolarHBondContact O-N 3.3Å; W257-K259 VanDerWaalsContact O-N 3.16Å; W257-Y260 PolarHBondContact N-O 3.49Å; W257-Y260 PolarHBondContact O-N 3.45Å; W257-Y260 VanDerWaalsContact O-N 3.07Å
258	G	94.9	Very high	95.4	Very high	56 Å²	56	27.2 Å²	27.2	58%	0.577	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	-116.4	-166.9	0	0	0	0	0	111.4	E236	E236-G258 PolarHBondContact O-N 3.38Å
259	K	93.5	Very high	95.8	Very high	164 Å²	164	23.8 Å²	23.8	71%	0.713	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.7	178.9	67.4	178.2	-179.2	177.7	0	114.1	W257	W257-K259 PolarHBondContact O-N 3.3Å; W257-K259 VanDerWaalsContact O-N 3.16Å
260	Y	95	Very high	95.9	Very high	11 Å²	11	23.6 Å²	23.6	4%	0.043	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.9	-173.6	-63.4	-99.9	0	0	0	109.9	M127 W207 A217 I218 D256 W257	M127-Y260 PolarHBondContact SD-OH 2.9Å; M127-Y260 VanDerWaalsContact SD-OH 3.38Å; W207-Y260 HydrophobicContact CB-CD1 3.68Å; W207-Y260 HydrophobicContact CB-CD2 4.22Å; W207-Y260 HydrophobicContact CB-CE1 3.52Å; W207-Y260 HydrophobicContact CB-CE2 4.09Å; W207-Y260 HydrophobicContact CB-CG 4.06Å; W207-Y260 AromaticContact CD1-CD2 3.63Å; W207-Y260 AromaticContact CD1-CG 3.62Å; W207-Y260 AromaticContact CD2-CD2 3.6Å; W207-Y260 HydrophobicContact CD2-CD2 3.6Å; W207-Y260 AromaticContact CD2-CE2 3.42Å; W207-Y260 HydrophobicContact CD2-CE2 3.42Å; W207-Y260 VanDerWaalsContact CD2-CE2 3.42Å; W207-Y260 HydrophobicContact CD2-CG 4.26Å; W207-Y260 AromaticContact CD2-CZ 3.93Å; W207-Y260 AromaticContact CE2-CD2 3.72Å; W207-Y260 AromaticContact CE2-CE2 3.92Å; W207-Y260 HydrophobicContact CE3-CD2 4.27Å; W207-Y260 AromaticContact CE3-CE2 3.63Å; W207-Y260 HydrophobicContact CE3-CE2 3.63Å; W207-Y260 AromaticContact CE3-CZ 4Å; W207-Y260 AromaticContact CG-CD1 3.88Å; W207-Y260 HydrophobicContact CG-CD1 3.88Å; W207-Y260 AromaticContact CG-CD2 3.56Å; W207-Y260 HydrophobicContact CG-CD2 3.56Å; W207-Y260 AromaticContact CG-CE1 3.95Å; W207-Y260 HydrophobicContact CG-CE1 3.95Å; W207-Y260 AromaticContact CG-CE2 3.65Å; W207-Y260 HydrophobicContact CG-CE2 3.65Å; W207-Y260 AromaticContact CG-CG 3.71Å; W207-Y260 HydrophobicContact CG-CG 3.71Å; W207-Y260 AromaticContact CG-CZ 3.85Å; W207-Y260 HydrophobicContact CZ2-CD2 4.45Å; W207-Y260 HydrophobicContact CZ3-CE2 4.25Å; W207-Y260 AromaticContact NE1-CD2 3.7Å; A217-Y260 HydrophobicContact CB-CD1 3.33Å; A217-Y260 HydrophobicContact CB-CE1 3.4Å; A217-Y260 HydrophobicContact CB-CG 4.27Å; A217-Y260 WeakPolarHBondContact O-CA 3.36Å; I218-Y260 WeakPolarHBondContact O-CD1 3.08Å; D256-Y260 CarbonylContact C-O 3.5Å; D256-Y260 WeakPolarHBondContact CA-O 3Å; W257-Y260 PolarHBondContact N-O 3.49Å; W257-Y260 PolarHBondContact O-N 3.45Å; W257-Y260 VanDerWaalsContact O-N 3.07Å
261	K	93.8	Very high	96	Very high	66 Å²	66	23.6 Å²	23.6	29%	0.287	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.9	-174.6	-60.4	-165.3	172.4	-162.4	0	111.9	D92 A217 I218 V219	D92-K261 IonicContact OD1-NZ 2.79Å; D92-K261 PolarHBondContact OD1-NZ 3.4Å; D92-K261 IonicContact OD2-NZ 4Å; D92-K261 PolarHBondContact OD2-NZ 2.96Å; A217-K261 PolarHBondContact O-N 3.3Å; I218-K261 CarbonylContact C-O 3.59Å; I218-K261 WeakPolarHBondContact CA-O 3.37Å; I218-K261 WeakPolarHBondContact CB-O 3.41Å; V219-K261 PolarHBondContact N-O 3.18Å
262	K	95.1	Very high	96	Very high	15 Å²	15	23.6 Å²	23.6	7%	0.065	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	100.3	162.5	-167.9	80.4	171.4	177.2	0	108.8	V219 G221 K254 Y255 I264	V219-K262 HydrophobicContact CB-CB 4.08Å; V219-K262 HydrophobicContact CB-CD 3.94Å; V219-K262 HydrophobicContact CG1-CD 4.11Å; V219-K262 WeakPolarHBondContact O-CD 3.2Å; V219-K262 PolarHBondContact O-NZ 2.84Å; G221-K262 VanDerWaalsContact N-NZ 3.18Å; G221-K262 WeakPolarHBondContact O-CE 3.41Å; G221-K262 PolarHBondContact O-NZ 3.3Å; K254-K262 WeakPolarHBondContact CG-O 3.32Å; Y255-K262 HydrophobicContact CD1-CB 4Å; Y255-K262 HydrophobicContact CD1-CG 4.22Å; Y255-K262 HydrophobicContact CD2-CB 3.88Å; Y255-K262 HydrophobicContact CE1-CB 3.72Å; Y255-K262 HydrophobicContact CE1-CG 3.55Å; Y255-K262 HydrophobicContact CE2-CB 3.5Å; Y255-K262 VanDerWaalsContact CE2-CB 3.5Å; Y255-K262 HydrophobicContact CE2-CG 4.06Å; Y255-K262 HydrophobicContact CG-CB 4.09Å; Y255-K262 VanDerWaalsContact CZ-CB 3.43Å; Y255-K262 VanDerWaalsContact CZ-CG 3.43Å; Y255-K262 PolarHBondContact N-O 3.05Å; Y255-K262 WeakPolarHBondContact O-CA 3.27Å; Y255-K262 WeakPolarHBondContact O-CB 3.32Å; Y255-K262 PolarHBondContact O-N 3.08Å; Y255-K262 WeakPolarHBondContact OH-CG 3.34Å; K262-I264 VanDerWaalsContact C-N 3.28Å; K262-I264 WeakPolarHBondContact CE-O 3.07Å; K262-I264 WeakPolarHBondContact CG-O 3.33Å; K262-I264 PolarHBondContact O-N 2.82Å
263	A	92	Very high	96.1	Very high	48 Å²	48	23.5 Å²	23.5	40%	0.397	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-34.4	-179.1	0	0	0	0	0	112.7
264	I	92.9	Very high	96.1	Very high	75 Å²	75	23.5 Å²	23.5	39%	0.385	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	132.2	175.4	-179	159.4	0	0	0	109.1	M89 I243 T252 K262	M89-I264 HydrophobicContact CG-CB 3.93Å; M89-I264 HydrophobicContact CG-CD1 4.08Å; M89-I264 HydrophobicContact CG-CG2 4.26Å; M89-I264 HydrophobicContact SD-CB 3.95Å; M89-I264 HydrophobicContact SD-CD1 3.68Å; M89-I264 HydrophobicContact SD-CG1 4.43Å; M89-I264 HydrophobicContact SD-CG2 3.72Å; I243-I264 HydrophobicContact CD1-CB 4.12Å; I243-I264 HydrophobicContact CD1-CD1 4.17Å; I243-I264 HydrophobicContact CD1-CG1 4.02Å; T252-I264 HydrophobicContact CG2-CD1 3.72Å; T252-I264 HydrophobicContact CG2-CG1 3.6Å; K262-I264 VanDerWaalsContact C-N 3.28Å; K262-I264 WeakPolarHBondContact CE-O 3.07Å; K262-I264 WeakPolarHBondContact CG-O 3.33Å; K262-I264 PolarHBondContact O-N 2.82Å
265	G	93.9	Very high	96.2	Very high	2 Å²	2	23 Å²	23	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	138.4	173	0	0	0	0	0	110.2	T252 I253	T252-G265 WeakPolarHBondContact CA-O 3.45Å; I253-G265 WeakPolarHBondContact CG1-O 3.24Å; I253-G265 PolarHBondContact N-O 2.86Å; I253-G265 PolarHBondContact O-N 2.77Å
266	S	96.8	Very high	96.3	Very high	5 Å²	5	23 Å²	23	4%	0.035	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.7	-178.2	54.5	0	0	0	0	111.8	H223 V251 P320	H223-S266 WeakPolarHBondContact CB-O 3.1Å; H223-S266 PolarHBondContact ND1-O 2.97Å; V251-S266 WeakPolarHBondContact O-CA 3.34Å; V251-S266 WeakPolarHBondContact O-CB 3.3Å; S266-P320 WeakPolarHBondContact CB-O 3.23Å; S266-P320 PolarHBondContact OG-O 3.43Å
267	F	98	Very high	96.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	155	174.2	48.2	-102.9	0	0	0	111.4	L100 F101 H223 W225 Y228 V251 I253 V269	L100-F267 HydrophobicContact CD2-CZ 4.08Å; F101-F267 HydrophobicContact CE2-CE2 4.3Å; F101-F267 HydrophobicContact CE2-CZ 4.32Å; F101-F267 HydrophobicContact CZ-CE2 4.09Å; H223-F267 VanDerWaalsContact C-CB 3.5Å; H223-F267 WeakPolarHBondContact O-CB 3.21Å; W225-F267 HydrophobicContact CB-CD2 3.65Å; W225-F267 HydrophobicContact CB-CE2 3.93Å; W225-F267 HydrophobicContact CB-CG 4.42Å; Y228-F267 HydrophobicContact CD1-CZ 4.1Å; Y228-F267 AromaticContact CD2-CE1 3.67Å; Y228-F267 HydrophobicContact CD2-CE1 3.67Å; Y228-F267 HydrophobicContact CD2-CZ 4.04Å; Y228-F267 HydrophobicContact CE1-CZ 4.5Å; Y228-F267 HydrophobicContact CE2-CE1 4.23Å; Y228-F267 HydrophobicContact CE2-CZ 4.46Å; Y228-F267 AromaticContact CG-CE1 3.84Å; Y228-F267 HydrophobicContact CG-CE1 3.84Å; Y228-F267 AromaticContact CG-CZ 3.85Å; Y228-F267 HydrophobicContact CG-CZ 3.85Å; V251-F267 HydrophobicContact CG2-CD2 3.65Å; V251-F267 HydrophobicContact CG2-CE1 4.18Å; V251-F267 HydrophobicContact CG2-CE2 3.21Å; V251-F267 HydrophobicContact CG2-CG 4.3Å; V251-F267 HydrophobicContact CG2-CZ 3.52Å; V251-F267 PolarHBondContact N-O 3.37Å; V251-F267 VanDerWaalsContact N-O 3.16Å; V251-F267 PolarHBondContact O-N 3.07Å; V251-F267 VanDerWaalsContact O-N 3.08Å; I253-F267 HydrophobicContact CD1-CE1 3.53Å; I253-F267 HydrophobicContact CD1-CZ 3.68Å; I253-F267 HydrophobicContact CG1-CE1 4.06Å; I253-F267 HydrophobicContact CG1-CZ 4.45Å; F267-V269 HydrophobicContact CD2-CG2 3.86Å; F267-V269 HydrophobicContact CE2-CG2 3.84Å
268	L	97.6	Very high	96.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	146.7	166.4	-67.5	173.5	0	0	0	109.2	W225 L249 L250 T271 F275 E276 L279 M302 P320	W225-L268 VanDerWaalsContact CB-O 3.3Å; W225-L268 WeakPolarHBondContact CB-O 3.45Å; L249-L268 CarbonylContact O-C 3.54Å; L249-L268 VanDerWaalsContact O-CA 3.31Å; L249-L268 WeakPolarHBondContact O-CA 3.03Å; L250-L268 HydrophobicContact CB-CD2 4.29Å; L250-L268 HydrophobicContact CD1-CD2 4.16Å; L268-T271 HydrophobicContact CB-CG2 4.12Å; L268-T271 WeakPolarHBondContact CB-OG1 3.29Å; L268-T271 HydrophobicContact CD1-CG2 4.15Å; L268-F275 HydrophobicContact CD1-CE1 4.13Å; L268-E276 HydrophobicContact CD1-CG 4.49Å; L268-L279 HydrophobicContact CD1-CD2 3.77Å; L268-M302 HydrophobicContact CD2-CE 4.41Å; L268-M302 HydrophobicContact CD2-SD 3.7Å; L268-P320 HydrophobicContact CD2-CB 4.16Å; L268-P320 HydrophobicContact CG-CB 3.94Å; L268-P320 HydrophobicContact CG-CG 3.97Å
269	V	97.4	Very high	96.6	Very high	4 Å²	4	19 Å²	19	2%	0.024	10%	0.097	C	C	.	.	S	Bend	trans	-114.2	128.4	-179.7	179.6	0	0	0	0	109.5	I79 L81 F101 N248 L249 V251 F267 T271	I79-V269 HydrophobicContact CD1-CG1 4.01Å; I79-V269 HydrophobicContact CG2-CG1 4.01Å; L81-V269 HydrophobicContact CD1-CG1 4.12Å; L81-V269 HydrophobicContact CD1-CG2 4.24Å; L81-V269 HydrophobicContact CD2-CG1 4.41Å; F101-V269 HydrophobicContact CE1-CG1 4.21Å; N248-V269 WeakPolarHBondContact O-CB 3.35Å; L249-V269 PolarHBondContact O-N 3.48Å; V251-V269 HydrophobicContact CG1-CG2 4.13Å; V251-V269 HydrophobicContact CG2-CG2 4.11Å; F267-V269 HydrophobicContact CD2-CG2 3.86Å; F267-V269 HydrophobicContact CE2-CG2 3.84Å; V269-T271 VanDerWaalsContact C-N 3.26Å; V269-T271 PolarHBondContact O-N 3.19Å
270	G	96.8	Very high	96.8	Very high	6 Å²	6	11.1 Å²	11.1	6%	0.062	6%	0.063	C	C	.	.	S	Bend	trans	77.9	6.1	173.3	0	0	0	0	0	114.9	R73 A74	R73-G270 CarbonylContact C-O 3.58Å; R73-G270 WeakPolarHBondContact CA-O 3.39Å; R73-G270 WeakPolarHBondContact CB-O 3.39Å; A74-G270 PolarHBondContact N-O 3.06Å
271	T	97.5	Very high	96.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.061	C	C	.	.			trans	-73.2	150	165.7	39.1	0	0	0	0	111	Y114 W225 L268 V269 F275 E276	Y114-T271 PolarHBondContact OH-O 2.95Å; W225-T271 PolarHBondContact NE1-O 2.71Å; L268-T271 HydrophobicContact CB-CG2 4.12Å; L268-T271 WeakPolarHBondContact CB-OG1 3.29Å; L268-T271 HydrophobicContact CD1-CG2 4.15Å; V269-T271 VanDerWaalsContact C-N 3.26Å; V269-T271 PolarHBondContact O-N 3.19Å; T271-F275 HydrophobicContact CG2-CD1 3.44Å; T271-F275 VanDerWaalsContact CG2-CD1 3.44Å; T271-F275 HydrophobicContact CG2-CE1 3.75Å; T271-F275 HydrophobicContact CG2-CG 4.27Å; T271-E276 WeakPolarHBondContact OG1-CG 3.38Å; T271-E276 PolarHBondContact OG1-OE1 3.03Å
272	S	98.3	Very high	96.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.048	C	C	.	.			trans	-76.4	160.6	173.3	65.6	0	0	0	0	112.3	D70 Y114 E274 F275 E276	D70-S272 VanDerWaalsContact CG-OG 3.23Å; D70-S272 WeakPolarHBondContact OD1-CB 3.29Å; D70-S272 PolarHBondContact OD1-OG 3.28Å; D70-S272 PolarHBondContact OD2-N 3.21Å; Y114-S272 WeakPolarHBondContact OH-CA 3.43Å; S272-E274 VanDerWaalsContact C-N 3.3Å; S272-E274 VanDerWaalsContact CB-OE2 3.3Å; S272-E274 WeakPolarHBondContact CB-OE2 3.39Å; S272-E274 PolarHBondContact O-N 3.13Å; S272-E274 VanDerWaalsContact OG-CG 3.28Å; S272-E274 WeakPolarHBondContact OG-CG 3.39Å; S272-E274 PolarHBondContact OG-OE1 3.04Å; S272-E274 PolarHBondContact OG-OE2 2.76Å; S272-F275 PolarHBondContact O-N 3.32Å; S272-F275 VanDerWaalsContact O-N 3.16Å; S272-F275 WeakPolarHBondContact OG-CB 3.45Å; S272-F275 PolarHBondContact OG-N 3.2Å; S272-E276 PolarHBondContact O-N 2.98Å; S272-E276 VanDerWaalsContact O-N 3.14Å
273	P	98.5	Very high	96.9	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.006	4%	0.044	C	C	.	.	H	α-helix	trans	-57.5	-41	176.6	-26	37	0	0	0	113	Y114 L117 F145 F275 E276 I277	Y114-P273 HydrophobicContact CD1-CG 3.66Å; Y114-P273 HydrophobicContact CE1-CG 3.98Å; Y114-P273 HydrophobicContact CG-CG 4.17Å; L117-P273 HydrophobicContact CB-CB 4.28Å; L117-P273 HydrophobicContact CB-CG 4.07Å; L117-P273 HydrophobicContact CD2-CB 3.93Å; L117-P273 HydrophobicContact CD2-CG 3.62Å; L117-P273 HydrophobicContact CG-CG 4.47Å; F145-P273 HydrophobicContact CE2-CB 3.96Å; P273-F275 VanDerWaalsContact C-N 3.31Å; P273-F275 PolarHBondContact O-N 3.24Å; P273-E276 PolarHBondContact O-N 3.03Å; P273-I277 WeakPolarHBondContact O-CG2 3.49Å; P273-I277 PolarHBondContact O-N 3.05Å
274	E	98.7	Very high	96.8	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-64.9	-33.3	177.7	60.7	-89.8	-145.3	0	0	112.6	N72 T113 V149 T152 V154 S272 S278	N72-E274 WeakPolarHBondContact CB-OE1 3.03Å; N72-E274 PolarHBondContact ND2-OE1 3.19Å; T113-E274 WeakPolarHBondContact CB-OE2 3.36Å; T113-E274 VanDerWaalsContact CG2-OE2 3.28Å; T113-E274 WeakPolarHBondContact CG2-OE2 3.02Å; T113-E274 PolarHBondContact OG1-OE1 3.16Å; T113-E274 PolarHBondContact OG1-OE2 3.21Å; V149-E274 HydrophobicContact CB-CB 4.37Å; V149-E274 HydrophobicContact CG1-CB 3.98Å; V149-E274 HydrophobicContact CG2-CB 4.16Å; T152-E274 HydrophobicContact CG2-CB 4.02Å; T152-E274 HydrophobicContact CG2-CG 3.74Å; T152-E274 WeakPolarHBondContact OG1-CB 3.44Å; V154-E274 HydrophobicContact CB-CG 4.14Å; V154-E274 HydrophobicContact CG1-CG 4.43Å; V154-E274 HydrophobicContact CG2-CG 4.35Å; S272-E274 VanDerWaalsContact C-N 3.3Å; S272-E274 VanDerWaalsContact CB-OE2 3.3Å; S272-E274 WeakPolarHBondContact CB-OE2 3.39Å; S272-E274 PolarHBondContact O-N 3.13Å; S272-E274 VanDerWaalsContact OG-CG 3.28Å; S272-E274 WeakPolarHBondContact OG-CG 3.39Å; S272-E274 PolarHBondContact OG-OE1 3.04Å; S272-E274 PolarHBondContact OG-OE2 2.76Å; E274-S278 WeakPolarHBondContact O-CB 3.21Å; E274-S278 PolarHBondContact O-N 2.96Å; E274-S278 VanDerWaalsContact O-N 3.11Å; E274-S278 PolarHBondContact O-OG 2.96Å
275	F	98.7	Very high	96.7	Very high	0 Å²	0	1.2 Å²	1.2	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-68.7	-49.6	175.4	-177.1	-88.6	0	0	0	111.4	V63 M66 R67 D70 V154 L268 T271 S272 P273 S278 L279 I297	V63-F275 HydrophobicContact CG1-CZ 4.14Å; M66-F275 HydrophobicContact CB-CD2 4.08Å; M66-F275 HydrophobicContact CB-CE2 3.87Å; R67-F275 HydrophobicContact CB-CE2 4.1Å; D70-F275 HydrophobicContact CB-CB 4.44Å; D70-F275 HydrophobicContact CB-CD2 4.09Å; D70-F275 WeakPolarHBondContact OD2-CB 3.24Å; V154-F275 HydrophobicContact CG1-CB 4.32Å; V154-F275 HydrophobicContact CG1-CD2 4.37Å; L268-F275 HydrophobicContact CD1-CE1 4.13Å; T271-F275 HydrophobicContact CG2-CD1 3.44Å; T271-F275 VanDerWaalsContact CG2-CD1 3.44Å; T271-F275 HydrophobicContact CG2-CE1 3.75Å; T271-F275 HydrophobicContact CG2-CG 4.27Å; S272-F275 PolarHBondContact O-N 3.32Å; S272-F275 VanDerWaalsContact O-N 3.16Å; S272-F275 WeakPolarHBondContact OG-CB 3.45Å; S272-F275 PolarHBondContact OG-N 3.2Å; P273-F275 VanDerWaalsContact C-N 3.31Å; P273-F275 PolarHBondContact O-N 3.24Å; F275-S278 PolarHBondContact O-N 2.86Å; F275-L279 HydrophobicContact CE1-CB 4.47Å; F275-L279 HydrophobicContact CE1-CD2 3.94Å; F275-L279 WeakPolarHBondContact O-CB 3.42Å; F275-L279 PolarHBondContact O-N 2.66Å; F275-I297 HydrophobicContact CE1-CD1 3.75Å; F275-I297 HydrophobicContact CZ-CD1 3.48Å; F275-I297 VanDerWaalsContact CZ-CD1 3.48Å; F275-I297 HydrophobicContact CZ-CG1 4.47Å
276	E	98.2	Very high	96.5	Very high	0 Å²	0	1.1 Å²	1.1	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-61.8	-50.5	179.9	-76.4	-179.1	-129.7	0	0	111.5	F203 N224 W225 L268 T271 S272 P273 S278 L279 Y280	F203-E276 HydrophobicContact CE1-CB 3.89Å; F203-E276 HydrophobicContact CZ-CB 4.06Å; N224-E276 VanDerWaalsContact ND2-CD 3.34Å; N224-E276 PolarHBondContact ND2-OE1 3.18Å; N224-E276 PolarHBondContact ND2-OE2 2.82Å; W225-E276 VanDerWaalsContact CD1-OE1 3.25Å; L268-E276 HydrophobicContact CD1-CG 4.49Å; T271-E276 WeakPolarHBondContact OG1-CG 3.38Å; T271-E276 PolarHBondContact OG1-OE1 3.03Å; S272-E276 PolarHBondContact O-N 2.98Å; S272-E276 VanDerWaalsContact O-N 3.14Å; P273-E276 PolarHBondContact O-N 3.03Å; E276-S278 VanDerWaalsContact C-N 3.3Å; E276-S278 PolarHBondContact O-N 2.93Å; E276-L279 PolarHBondContact O-N 3.28Å; E276-Y280 HydrophobicContact CB-CD2 4.35Å; E276-Y280 HydrophobicContact CB-CE2 3.84Å; E276-Y280 HydrophobicContact CG-CE2 4.37Å; E276-Y280 WeakPolarHBondContact O-CB 3.36Å; E276-Y280 WeakPolarHBondContact O-CD2 3.47Å; E276-Y280 PolarHBondContact O-N 2.78Å
277	I	98.6	Very high	96	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-65.5	-35.3	-178.3	-159.7	172.7	0	0	0	111.9	F145 V149 F179 W183 F199 F203 P273 T281	F145-I277 HydrophobicContact CE1-CD1 3.8Å; F145-I277 HydrophobicContact CZ-CD1 4.16Å; V149-I277 HydrophobicContact CG1-CG2 3.83Å; V149-I277 HydrophobicContact CG2-CG2 4.36Å; F179-I277 HydrophobicContact CE1-CD1 4.06Å; F179-I277 HydrophobicContact CZ-CD1 3.91Å; F179-I277 HydrophobicContact CZ-CG1 3.98Å; W183-I277 HydrophobicContact CD2-CD1 4.08Å; W183-I277 HydrophobicContact CD2-CG1 3.98Å; W183-I277 VanDerWaalsContact CE2-CG1 3.48Å; W183-I277 HydrophobicContact CG-CD1 4.09Å; W183-I277 HydrophobicContact CG-CG1 4.39Å; W183-I277 HydrophobicContact CH2-CG1 4.34Å; W183-I277 HydrophobicContact CZ2-CG1 3.69Å; F199-I277 HydrophobicContact CD2-CD1 4.42Å; F203-I277 HydrophobicContact CE2-CB 4.25Å; F203-I277 HydrophobicContact CE2-CG1 4.14Å; F203-I277 HydrophobicContact CZ-CB 3.74Å; F203-I277 HydrophobicContact CZ-CG1 4.16Å; P273-I277 WeakPolarHBondContact O-CG2 3.49Å; P273-I277 PolarHBondContact O-N 3.05Å; I277-T281 VanDerWaalsContact O-CB 3.27Å; I277-T281 WeakPolarHBondContact O-CB 3.3Å; I277-T281 PolarHBondContact O-N 3.03Å; I277-T281 PolarHBondContact O-OG1 3.33Å
278	S	98.6	Very high	95.4	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-70.5	-43.5	176.5	-62.1	0	0	0	0	112.2	E274 F275 E276 T281 L282	E274-S278 WeakPolarHBondContact O-CB 3.21Å; E274-S278 PolarHBondContact O-N 2.96Å; E274-S278 VanDerWaalsContact O-N 3.11Å; E274-S278 PolarHBondContact O-OG 2.96Å; F275-S278 PolarHBondContact O-N 2.86Å; E276-S278 VanDerWaalsContact C-N 3.3Å; E276-S278 PolarHBondContact O-N 2.93Å; S278-T281 PolarHBondContact O-N 3.31Å; S278-L282 WeakPolarHBondContact O-CB 3.43Å; S278-L282 PolarHBondContact O-N 3.06Å
279	L	98.2	Very high	94.4	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61.1	-48.7	175.8	173.6	64.8	0	0	0	110.9	V63 L268 F275 E276 T281 L282 C283 F295 V304	V63-L279 HydrophobicContact CG2-CD1 3.65Å; L268-L279 HydrophobicContact CD1-CD2 3.77Å; F275-L279 HydrophobicContact CE1-CB 4.47Å; F275-L279 HydrophobicContact CE1-CD2 3.94Å; F275-L279 WeakPolarHBondContact O-CB 3.42Å; F275-L279 PolarHBondContact O-N 2.66Å; E276-L279 PolarHBondContact O-N 3.28Å; L279-T281 PolarHBondContact O-N 3.42Å; L279-L282 WeakPolarHBondContact O-CB 3.44Å; L279-L282 PolarHBondContact O-N 2.68Å; L279-C283 WeakPolarHBondContact O-CB 3.42Å; L279-C283 PolarHBondContact O-N 2.9Å; L279-C283 PolarHBondContact O-SG 3.08Å; L279-C283 VanDerWaalsContact O-SG 3.36Å; L279-F295 HydrophobicContact CD1-CD1 4.1Å; L279-F295 HydrophobicContact CD1-CE1 3.9Å; L279-F295 HydrophobicContact CD1-CZ 4.13Å; L279-F295 HydrophobicContact CD2-CE1 4.19Å; L279-F295 HydrophobicContact CD2-CE2 4.19Å; L279-F295 HydrophobicContact CD2-CZ 3.7Å; L279-F295 HydrophobicContact CG-CZ 4.47Å; L279-V304 HydrophobicContact CD2-CG2 4.05Å; L279-V304 HydrophobicContact CG-CG2 4.22Å
280	Y	97.4	Very high	93	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.2	-38.4	-179.5	-63.6	-21.5	0	0	0	111.9	W183 V202 F203 E276 C283 M284 V304 T318 P320	W183-Y280 HydrophobicContact CH2-CD2 4.21Å; W183-Y280 HydrophobicContact CH2-CG 4.46Å; V202-Y280 HydrophobicContact CG1-CD2 3.95Å; V202-Y280 HydrophobicContact CG1-CE2 4.01Å; F203-Y280 HydrophobicContact CE2-CD2 4.24Å; F203-Y280 AromaticContact CZ-CD2 3.98Å; F203-Y280 HydrophobicContact CZ-CD2 3.98Å; F203-Y280 HydrophobicContact CZ-CE2 4.16Å; E276-Y280 HydrophobicContact CB-CD2 4.35Å; E276-Y280 HydrophobicContact CB-CE2 3.84Å; E276-Y280 HydrophobicContact CG-CE2 4.37Å; E276-Y280 WeakPolarHBondContact O-CB 3.36Å; E276-Y280 WeakPolarHBondContact O-CD2 3.47Å; E276-Y280 PolarHBondContact O-N 2.78Å; Y280-C283 PolarHBondContact O-N 2.78Å; Y280-M284 VanDerWaalsContact O-CB 3.24Å; Y280-M284 WeakPolarHBondContact O-CB 3.19Å; Y280-M284 PolarHBondContact O-N 2.79Å; Y280-V304 HydrophobicContact CD1-CG1 4Å; Y280-V304 HydrophobicContact CD1-CG2 3.97Å; Y280-V304 HydrophobicContact CE1-CG2 3.89Å; Y280-T318 HydrophobicContact CD1-CG2 4.44Å; Y280-T318 HydrophobicContact CD2-CG2 4.09Å; Y280-T318 HydrophobicContact CG-CG2 3.81Å; Y280-P320 WeakPolarHBondContact OH-CD 3.24Å
281	T	96.4	Very high	91.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.7	-47.4	172.9	-58.5	0	0	0	0	111.1	M158 L162 M168 F179 M182 W183 I277 S278 L279 C283 M284 L285	M158-T281 HydrophobicContact CE-CG2 4.49Å; M158-T281 HydrophobicContact SD-CG2 4.11Å; L162-T281 HydrophobicContact CD1-CG2 4.07Å; M168-T281 HydrophobicContact SD-CG2 4.49Å; F179-T281 HydrophobicContact CD2-CG2 4.01Å; F179-T281 HydrophobicContact CE2-CG2 3.82Å; F179-T281 VanDerWaalsContact CE2-OG1 3.3Å; F179-T281 WeakPolarHBondContact CE2-OG1 3.35Å; M182-T281 HydrophobicContact CE-CG2 4Å; M182-T281 HydrophobicContact SD-CG2 4.37Å; W183-T281 PolarHBondContact NE1-OG1 3.36Å; I277-T281 VanDerWaalsContact O-CB 3.27Å; I277-T281 WeakPolarHBondContact O-CB 3.3Å; I277-T281 PolarHBondContact O-N 3.03Å; I277-T281 PolarHBondContact O-OG1 3.33Å; S278-T281 PolarHBondContact O-N 3.31Å; L279-T281 PolarHBondContact O-N 3.42Å; T281-C283 PolarHBondContact O-N 3.31Å; T281-M284 PolarHBondContact O-N 3.42Å; T281-L285 HydrophobicContact CG2-CD1 3.9Å; T281-L285 WeakPolarHBondContact O-CB 3.45Å; T281-L285 VanDerWaalsContact O-CG 3.3Å; T281-L285 WeakPolarHBondContact O-CG 3.44Å; T281-L285 PolarHBondContact O-N 3.23Å; T281-L285 VanDerWaalsContact O-N 3.08Å
282	L	95.5	Very high	91	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57	-50.7	176.7	169.9	66.5	0	0	0	111.2	I59 L62 V63 M66 M158 F161 L162 S278 L279 L285 A286	I59-L282 HydrophobicContact CG2-CD2 4.17Å; L62-L282 HydrophobicContact CD2-CD1 3.83Å; L62-L282 HydrophobicContact CD2-CD2 3.6Å; L62-L282 HydrophobicContact CD2-CG 4.29Å; L62-L282 HydrophobicContact CG-CD2 4.25Å; V63-L282 HydrophobicContact CG2-CD2 4.13Å; M66-L282 HydrophobicContact CE-CD2 4.09Å; M158-L282 HydrophobicContact CG-CB 4.47Å; F161-L282 HydrophobicContact CD1-CD1 3.81Å; F161-L282 HydrophobicContact CE1-CD1 3.71Å; L162-L282 HydrophobicContact CD2-CD1 4.06Å; S278-L282 WeakPolarHBondContact O-CB 3.43Å; S278-L282 PolarHBondContact O-N 3.06Å; L279-L282 WeakPolarHBondContact O-CB 3.44Å; L279-L282 PolarHBondContact O-N 2.68Å; L282-L285 PolarHBondContact O-N 3.08Å; L282-A286 HydrophobicContact CD1-CB 4.48Å; L282-A286 WeakPolarHBondContact O-CB 3.29Å; L282-A286 PolarHBondContact O-N 3.18Å
283	C	94.3	Very high	90.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.5	-39.7	-176.3	-71.8	0	0	0	0	112.4	L279 Y280 T281 L285 A286 K287 C293 V304	L279-C283 WeakPolarHBondContact O-CB 3.42Å; L279-C283 PolarHBondContact O-N 2.9Å; L279-C283 PolarHBondContact O-SG 3.08Å; L279-C283 VanDerWaalsContact O-SG 3.36Å; Y280-C283 PolarHBondContact O-N 2.78Å; T281-C283 PolarHBondContact O-N 3.31Å; C283-L285 VanDerWaalsContact C-N 3.28Å; C283-L285 PolarHBondContact O-N 3.05Å; C283-A286 PolarHBondContact O-N 3.07Å; C283-K287 CarbonylContact O-C 3.42Å; C283-K287 WeakPolarHBondContact O-CA 3.39Å; C283-K287 PolarHBondContact O-N 2.88Å; C283-C293 WeakPolarHBondContact CA-SG 3.48Å; C283-C293 HydrophobicContact CB-CB 3.37Å; C283-C293 WeakPolarHBondContact CB-SG 3.21Å; C283-C293 WeakPolarHBondContact SG-CB 3.44Å; C283-C293 CovalentContact SG-SG 2.04Å; C283-C293 PolarHBondContact SG-SG 2.88Å; C283-V304 HydrophobicContact CB-CB 3.97Å; C283-V304 HydrophobicContact CB-CG1 3.59Å
284	M	90.5	Very high	90.6	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-56.4	-45.8	172.6	-171.6	61.5	76.8	0	0	110.8	Y45 M182 Y280 T281 P288 F307 K308 V315	Y45-M284 PolarHBondContact OH-O 2.86Å; M182-M284 HydrophobicContact CE-CB 4.43Å; M182-M284 HydrophobicContact CE-CG 4.25Å; Y280-M284 VanDerWaalsContact O-CB 3.24Å; Y280-M284 WeakPolarHBondContact O-CB 3.19Å; Y280-M284 PolarHBondContact O-N 2.79Å; T281-M284 PolarHBondContact O-N 3.42Å; M284-P288 VanDerWaalsContact O-CB 3.27Å; M284-P288 WeakPolarHBondContact O-CB 3.47Å; M284-P288 VanDerWaalsContact O-CD 3.27Å; M284-P288 WeakPolarHBondContact O-CD 3.47Å; M284-P288 WeakPolarHBondContact O-CG 3.42Å; M284-F307 WeakPolarHBondContact CE-O 3.44Å; M284-K308 HydrophobicContact CE-CB 4.46Å; M284-K308 HydrophobicContact SD-CB 3.62Å; M284-K308 HydrophobicContact SD-CD 4.35Å; M284-K308 HydrophobicContact SD-CG 3.89Å; M284-V315 HydrophobicContact CE-CB 4.1Å; M284-V315 HydrophobicContact CE-CG1 3.69Å; M284-V315 HydrophobicContact CE-CG2 3.86Å; M284-V315 HydrophobicContact CG-CG2 4.3Å
285	L	90	Very high	90.4	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-79.6	-31.3	-176.8	-62.9	173	0	0	0	114.1	Y45 L162 L167 M168 M182 T281 L282 C283	Y45-L285 HydrophobicContact CD1-CD2 4.2Å; Y45-L285 HydrophobicContact CE1-CD2 3.36Å; Y45-L285 HydrophobicContact CE2-CB 4.45Å; Y45-L285 HydrophobicContact CE2-CD2 4.03Å; Y45-L285 VanDerWaalsContact CE2-O 3.27Å; Y45-L285 WeakPolarHBondContact CE2-O 3.49Å; Y45-L285 VanDerWaalsContact OH-CA 3.29Å; Y45-L285 WeakPolarHBondContact OH-CA 3.43Å; Y45-L285 WeakPolarHBondContact OH-CD2 3.29Å; L162-L285 HydrophobicContact CD1-CD1 3.51Å; L162-L285 HydrophobicContact CD2-CB 4.19Å; L162-L285 HydrophobicContact CD2-CD1 4Å; L162-L285 HydrophobicContact CG-CD1 4.36Å; L167-L285 HydrophobicContact CB-CB 4.46Å; L167-L285 HydrophobicContact CD1-CB 4.35Å; M168-L285 HydrophobicContact CG-CD1 3.58Å; M168-L285 HydrophobicContact SD-CD1 3.63Å; M182-L285 HydrophobicContact CE-CD1 4.12Å; M182-L285 HydrophobicContact CE-CD2 3.8Å; M182-L285 HydrophobicContact CE-CG 3.86Å; M182-L285 HydrophobicContact SD-CD1 4.24Å; M182-L285 HydrophobicContact SD-CD2 4.15Å; M182-L285 HydrophobicContact SD-CG 4.47Å; T281-L285 HydrophobicContact CG2-CD1 3.9Å; T281-L285 WeakPolarHBondContact O-CB 3.45Å; T281-L285 VanDerWaalsContact O-CG 3.3Å; T281-L285 WeakPolarHBondContact O-CG 3.44Å; T281-L285 PolarHBondContact O-N 3.23Å; T281-L285 VanDerWaalsContact O-N 3.08Å; L282-L285 PolarHBondContact O-N 3.08Å; C283-L285 VanDerWaalsContact C-N 3.28Å; C283-L285 PolarHBondContact O-N 3.05Å
286	A	89.8	Confident	90.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-86.9	-37.5	-178.6	0	0	0	0	0	112.7	S52 V54 I59 L282 C283	S52-A286 WeakPolarHBondContact CB-O 3.48Å; V54-A286 HydrophobicContact CB-CB 4.12Å; V54-A286 HydrophobicContact CG1-CB 3.95Å; I59-A286 HydrophobicContact CD1-CB 3.98Å; I59-A286 HydrophobicContact CG1-CB 4.39Å; L282-A286 HydrophobicContact CD1-CB 4.48Å; L282-A286 WeakPolarHBondContact O-CB 3.29Å; L282-A286 PolarHBondContact O-N 3.18Å; C283-A286 PolarHBondContact O-N 3.07Å
287	K	87.6	Confident	90.1	Very high	23 Å²	23	22.7 Å²	22.7	10%	0.1	12%	0.118	C	C	.	.	S	Bend	trans	-142.9	58.4	-170.6	-59.2	-66.6	-175.9	-169.7	0	111.9	V54 D56 I59 C283 C293	V54-K287 WeakPolarHBondContact O-CE 3.47Å; V54-K287 PolarHBondContact O-NZ 3.01Å; D56-K287 VanDerWaalsContact OD1-CE 3.29Å; D56-K287 WeakPolarHBondContact OD1-CE 3.45Å; D56-K287 IonicContact OD1-NZ 3.62Å; I59-K287 HydrophobicContact CD1-CG 3.88Å; C283-K287 CarbonylContact O-C 3.42Å; C283-K287 WeakPolarHBondContact O-CA 3.39Å; C283-K287 PolarHBondContact O-N 2.88Å; K287-C293 HydrophobicContact CB-CB 4.24Å; K287-C293 HydrophobicContact CG-CB 4.47Å
288	P	83.8	Confident	89.8	Confident	28 Å²	28	27.7 Å²	27.7	18%	0.182	15%	0.145	C	C	.	.			trans	-71	154.9	179.6	28.2	-31.9	0	0	0	113.1	Y45 M284 I290 K308	Y45-P288 HydrophobicContact CE2-CG 4.44Å; M284-P288 VanDerWaalsContact O-CB 3.27Å; M284-P288 WeakPolarHBondContact O-CB 3.47Å; M284-P288 VanDerWaalsContact O-CD 3.27Å; M284-P288 WeakPolarHBondContact O-CD 3.47Å; M284-P288 WeakPolarHBondContact O-CG 3.42Å; P288-I290 PolarHBondContact O-N 3.45Å; P288-K308 HydrophobicContact CB-CD 4.13Å; P288-K308 HydrophobicContact CB-CG 4.04Å
289	N	77.5	Confident	89.5	Confident	46 Å²	46	31 Å²	31	25%	0.246	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	-54.7	168.1	-58.6	-24.3	0	0	0	116.7	S306 F307 K308	N289-S306 WeakPolarHBondContact CA-O 3.25Å; N289-S306 PolarHBondContact N-O 2.83Å; N289-F307 WeakPolarHBondContact OD1-CA 3.1Å; N289-K308 PolarHBondContact OD1-N 2.83Å; N289-K308 VanDerWaalsContact OD1-N 3.08Å; N289-K308 PolarHBondContact OD1-O 3.41Å
290	I	68	Low	89.3	Confident	139 Å²	139	34.1 Å²	34.1	71%	0.713	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-20	-171.8	-55.1	172.4	0	0	0	111.3	P288	P288-I290 PolarHBondContact O-N 3.45Å
291	G	69.7	Low	89.1	Confident	24 Å²	24	36.2 Å²	36.2	25%	0.247	21%	0.206	C	C	.	.			trans	-87.7	127.7	-178	0	0	0	0	0	112.7	C293	G291-C293 PolarHBondContact O-N 2.91Å
292	N	83.2	Confident	89	Confident	77 Å²	77	36.2 Å²	36.2	41%	0.412	21%	0.206	S	C	.	.			trans	-76.2	112.1	163.9	-64.4	-4.8	0	0	0	108	R294 Y303 L305	N292-R294 PolarHBondContact O-N 2.88Å; N292-Y303 HydrophobicContact CB-CD1 3.68Å; N292-Y303 HydrophobicContact CB-CD2 4.21Å; N292-Y303 HydrophobicContact CB-CE1 4.01Å; N292-Y303 HydrophobicContact CB-CE2 4.44Å; N292-Y303 HydrophobicContact CB-CG 3.84Å; N292-L305 HydrophobicContact CB-CD2 4.36Å; N292-L305 WeakPolarHBondContact OD1-CD2 3.39Å
293	C	92.7	Very high	89	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	94.7	175.6	-174.8	0	0	0	0	109.4	C283 K287 G291 F295 Y303 V304	C283-C293 WeakPolarHBondContact CA-SG 3.48Å; C283-C293 HydrophobicContact CB-CB 3.37Å; C283-C293 WeakPolarHBondContact CB-SG 3.21Å; C283-C293 WeakPolarHBondContact SG-CB 3.44Å; C283-C293 CovalentContact SG-SG 2.04Å; C283-C293 PolarHBondContact SG-SG 2.88Å; K287-C293 HydrophobicContact CB-CB 4.24Å; K287-C293 HydrophobicContact CG-CB 4.47Å; G291-C293 PolarHBondContact O-N 2.91Å; C293-F295 VanDerWaalsContact O-CD1 3.28Å; C293-F295 WeakPolarHBondContact O-CD1 3.42Å; C293-Y303 CarbonylContact O-C 3.52Å; C293-Y303 WeakPolarHBondContact O-CA 3.38Å; C293-V304 HydrophobicContact CB-CB 4.13Å; C293-V304 WeakPolarHBondContact CB-O 3.46Å; C293-V304 PolarHBondContact N-O 3.42Å; C293-V304 PolarHBondContact O-N 3.24Å
294	R	94.4	Very high	89	Confident	87 Å²	87	38.3 Å²	38.3	33%	0.328	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.9	-175.2	-169.8	172.2	-177.2	-102.3	-10.6	112.3	D56 N292 H296 T301 Y303	D56-R294 HydrophobicContact CB-CB 4.49Å; N292-R294 PolarHBondContact O-N 2.88Å; R294-H296 PolarHBondContact NH2-CE1 3.34Å; R294-H296 PolarHBondContact NH2-NE2 3.17Å; R294-T301 HydrophobicContact CG-CG2 4.24Å; R294-Y303 HydrophobicContact CB-CD1 3.84Å; R294-Y303 HydrophobicContact CB-CE1 3.59Å; R294-Y303 HydrophobicContact CG-CD1 4.03Å; R294-Y303 HydrophobicContact CG-CE1 3.49Å; R294-Y303 VanDerWaalsContact CG-CE1 3.49Å
295	F	95.8	Very high	89.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	169.8	173.8	58	-89	0	0	0	111.3	I59 V63 L279 C293 I297 M302 V304	I59-F295 HydrophobicContact CG2-CB 4.29Å; V63-F295 HydrophobicContact CB-CB 4.03Å; V63-F295 HydrophobicContact CB-CG 4.41Å; V63-F295 HydrophobicContact CG1-CB 4.07Å; V63-F295 HydrophobicContact CG1-CD2 3.66Å; V63-F295 HydrophobicContact CG1-CE2 4.39Å; V63-F295 HydrophobicContact CG1-CG 4.03Å; V63-F295 HydrophobicContact CG2-CB 3.93Å; V63-F295 HydrophobicContact CG2-CG 4.13Å; L279-F295 HydrophobicContact CD1-CD1 4.1Å; L279-F295 HydrophobicContact CD1-CE1 3.9Å; L279-F295 HydrophobicContact CD1-CZ 4.13Å; L279-F295 HydrophobicContact CD2-CE1 4.19Å; L279-F295 HydrophobicContact CD2-CE2 4.19Å; L279-F295 HydrophobicContact CD2-CZ 3.7Å; L279-F295 HydrophobicContact CG-CZ 4.47Å; C293-F295 VanDerWaalsContact O-CD1 3.28Å; C293-F295 WeakPolarHBondContact O-CD1 3.42Å; F295-I297 HydrophobicContact CD2-CD1 4.16Å; F295-I297 HydrophobicContact CD2-CG1 3.92Å; F295-I297 HydrophobicContact CE2-CD1 3.74Å; F295-I297 HydrophobicContact CE2-CG1 3.98Å; F295-M302 HydrophobicContact CD2-CB 4.43Å; F295-M302 HydrophobicContact CD2-CE 4.41Å; F295-M302 HydrophobicContact CE2-CB 3.82Å; F295-M302 HydrophobicContact CE2-CE 3.78Å; F295-M302 HydrophobicContact CZ-CB 3.86Å; F295-M302 PolarHBondContact N-O 2.98Å; F295-M302 VanDerWaalsContact N-O 3.15Å; F295-M302 PolarHBondContact O-N 3.31Å; F295-V304 HydrophobicContact CE1-CB 4.2Å; F295-V304 HydrophobicContact CE1-CG2 3.68Å; F295-V304 HydrophobicContact CZ-CG2 3.97Å
296	H	95.7	Very high	89.2	Confident	43 Å²	43	39.8 Å²	39.8	20%	0.199	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.7	173.6	-51.5	75	0	0	0	111.7	D60 R294 Q300 T301	D60-H296 WeakPolarHBondContact OD1-CB 3.44Å; D60-H296 IonicContact OD1-CE1 2.59Å; D60-H296 IonicContact OD1-CG 2.75Å; D60-H296 PolarHBondContact OD1-N 3.17Å; D60-H296 IonicContact OD1-ND1 3.98Å; D60-H296 PolarHBondContact OD1-ND1 3.29Å; D60-H296 IonicContact OD2-ND1 3.88Å; R294-H296 PolarHBondContact NH2-CE1 3.34Å; R294-H296 PolarHBondContact NH2-NE2 3.17Å; H296-Q300 WeakPolarHBondContact CA-O 3.38Å; H296-T301 PolarHBondContact CD2-OG1 2.94Å; H296-T301 VanDerWaalsContact CD2-OG1 3.22Å; H296-T301 PolarHBondContact NE2-OG1 3.28Å
297	I	94.5	Very high	89	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.2	168.4	-61.5	178.1	0	0	0	107.3	V63 R67 L249 F275 F295 G299 Q300 M302	V63-I297 HydrophobicContact CG1-CD1 4.2Å; V63-I297 HydrophobicContact CG1-CG1 3.92Å; R67-I297 HydrophobicContact CG-CG2 4.02Å; L249-I297 HydrophobicContact CD1-CG2 4.01Å; L249-I297 HydrophobicContact CD2-CB 3.97Å; L249-I297 HydrophobicContact CD2-CG2 3.74Å; F275-I297 HydrophobicContact CE1-CD1 3.75Å; F275-I297 HydrophobicContact CZ-CD1 3.48Å; F275-I297 VanDerWaalsContact CZ-CD1 3.48Å; F275-I297 HydrophobicContact CZ-CG1 4.47Å; F295-I297 HydrophobicContact CD2-CD1 4.16Å; F295-I297 HydrophobicContact CD2-CG1 3.92Å; F295-I297 HydrophobicContact CE2-CD1 3.74Å; F295-I297 HydrophobicContact CE2-CG1 3.98Å; I297-G299 PolarHBondContact O-N 3.02Å; I297-Q300 PolarHBondContact N-O 2.91Å; I297-Q300 VanDerWaalsContact N-O 3.1Å; I297-Q300 WeakPolarHBondContact O-CB 3.48Å; I297-Q300 PolarHBondContact O-N 2.85Å; I297-M302 HydrophobicContact CB-CE 3.47Å; I297-M302 VanDerWaalsContact CB-CE 3.47Å; I297-M302 HydrophobicContact CD1-CE 3.75Å; I297-M302 HydrophobicContact CG1-CE 3.72Å; I297-M302 HydrophobicContact CG2-CE 4.46Å
298	D	91.5	Very high	88.7	Confident	106 Å²	106	43 Å²	43	57%	0.567	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	32.9	175.4	-55	-22.9	0	0	0	113.7	R67 Q300	R67-D298 IonicContact CZ-OD2 2.96Å; R67-D298 IonicContact NE-OD1 3.99Å; R67-D298 IonicContact NE-OD2 2.72Å; R67-D298 IonicContact NH2-OD2 3.53Å; R67-D298 PolarHBondContact NH2-OD2 3.32Å; D298-Q300 VanDerWaalsContact C-N 3.34Å
299	G	92	Very high	88.4	Confident	70 Å²	70	45 Å²	45	72%	0.722	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	-5.2	-179.9	0	0	0	0	0	115.3	I297	I297-G299 PolarHBondContact O-N 3.02Å
300	Q	94.3	Very high	88.1	Confident	65 Å²	65	49.5 Å²	49.5	30%	0.304	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133.3	-176.3	-57.4	-69.3	-3.2	0	0	110.7	V246 D247 H296 I297 D298	V246-Q300 HydrophobicContact CG1-CB 3.7Å; V246-Q300 VanDerWaalsContact CG1-CD 3.42Å; V246-Q300 HydrophobicContact CG1-CG 3.34Å; D247-Q300 PolarHBondContact OD2-NE2 3.43Å; H296-Q300 WeakPolarHBondContact CA-O 3.38Å; I297-Q300 PolarHBondContact N-O 2.91Å; I297-Q300 VanDerWaalsContact N-O 3.1Å; I297-Q300 WeakPolarHBondContact O-CB 3.48Å; I297-Q300 PolarHBondContact O-N 2.85Å; D298-Q300 VanDerWaalsContact C-N 3.34Å
301	T	94.6	Very high	88.4	Confident	43 Å²	43	47.8 Å²	47.8	26%	0.264	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.8	174.6	-56.8	0	0	0	0	109.6	R294 H296 P323	R294-T301 HydrophobicContact CG-CG2 4.24Å; H296-T301 PolarHBondContact CD2-OG1 2.94Å; H296-T301 VanDerWaalsContact CD2-OG1 3.22Å; H296-T301 PolarHBondContact NE2-OG1 3.28Å; T301-P323 HydrophobicContact CG2-CG 3.69Å
302	M	94.2	Very high	88.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	163.3	174.7	-69.2	177	-76.3	0	0	110.9	L249 L250 L268 F295 I297 L322	L249-M302 HydrophobicContact CD2-CE 3.61Å; L249-M302 HydrophobicContact CD2-SD 4.2Å; L249-M302 HydrophobicContact CG-CE 4.18Å; L249-M302 HydrophobicContact CG-SD 4.31Å; L250-M302 HydrophobicContact CB-SD 4.06Å; L250-M302 HydrophobicContact CD1-CG 4.11Å; L250-M302 HydrophobicContact CD1-SD 3.73Å; L268-M302 HydrophobicContact CD2-CE 4.41Å; L268-M302 HydrophobicContact CD2-SD 3.7Å; F295-M302 HydrophobicContact CD2-CB 4.43Å; F295-M302 HydrophobicContact CD2-CE 4.41Å; F295-M302 HydrophobicContact CE2-CB 3.82Å; F295-M302 HydrophobicContact CE2-CE 3.78Å; F295-M302 HydrophobicContact CZ-CB 3.86Å; F295-M302 PolarHBondContact N-O 2.98Å; F295-M302 VanDerWaalsContact N-O 3.15Å; F295-M302 PolarHBondContact O-N 3.31Å; I297-M302 HydrophobicContact CB-CE 3.47Å; I297-M302 VanDerWaalsContact CB-CE 3.47Å; I297-M302 HydrophobicContact CD1-CE 3.75Å; I297-M302 HydrophobicContact CG1-CE 3.72Å; I297-M302 HydrophobicContact CG2-CE 4.46Å; M302-L322 HydrophobicContact CG-CD2 4.11Å
303	Y	94.2	Very high	88.9	Confident	44 Å²	44	45.5 Å²	45.5	17%	0.173	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	153.5	170.3	-63.5	-45.6	0	0	0	110.5	N292 C293 R294 P320 T321 P323	N292-Y303 HydrophobicContact CB-CD1 3.68Å; N292-Y303 HydrophobicContact CB-CD2 4.21Å; N292-Y303 HydrophobicContact CB-CE1 4.01Å; N292-Y303 HydrophobicContact CB-CE2 4.44Å; N292-Y303 HydrophobicContact CB-CG 3.84Å; C293-Y303 CarbonylContact O-C 3.52Å; C293-Y303 WeakPolarHBondContact O-CA 3.38Å; R294-Y303 HydrophobicContact CB-CD1 3.84Å; R294-Y303 HydrophobicContact CB-CE1 3.59Å; R294-Y303 HydrophobicContact CG-CD1 4.03Å; R294-Y303 HydrophobicContact CG-CE1 3.49Å; R294-Y303 VanDerWaalsContact CG-CE1 3.49Å; Y303-P320 CarbonylContact O-C 3.54Å; Y303-P320 VanDerWaalsContact O-CA 3.27Å; Y303-P320 WeakPolarHBondContact O-CA 3.26Å; Y303-T321 PolarHBondContact N-O 2.88Å; Y303-T321 PolarHBondContact O-N 3.07Å; Y303-P323 HydrophobicContact CD2-CB 4.05Å; Y303-P323 HydrophobicContact CD2-CG 3.94Å; Y303-P323 HydrophobicContact CE1-CG 4.44Å; Y303-P323 HydrophobicContact CE2-CB 3.32Å; Y303-P323 HydrophobicContact CE2-CG 3.49Å; Y303-P323 VanDerWaalsContact CE2-CG 3.49Å
304	V	95.4	Very high	88.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.2	155.3	162.4	0	0	0	0	107.4	L279 Y280 C283 C293 F295 S306 T318 Y319 P320	L279-V304 HydrophobicContact CD2-CG2 4.05Å; L279-V304 HydrophobicContact CG-CG2 4.22Å; Y280-V304 HydrophobicContact CD1-CG1 4Å; Y280-V304 HydrophobicContact CD1-CG2 3.97Å; Y280-V304 HydrophobicContact CE1-CG2 3.89Å; C283-V304 HydrophobicContact CB-CB 3.97Å; C283-V304 HydrophobicContact CB-CG1 3.59Å; C293-V304 HydrophobicContact CB-CB 4.13Å; C293-V304 WeakPolarHBondContact CB-O 3.46Å; C293-V304 PolarHBondContact N-O 3.42Å; C293-V304 PolarHBondContact O-N 3.24Å; F295-V304 HydrophobicContact CE1-CB 4.2Å; F295-V304 HydrophobicContact CE1-CG2 3.68Å; F295-V304 HydrophobicContact CZ-CG2 3.97Å; V304-S306 WeakPolarHBondContact CG1-OG 3.43Å; V304-T318 VanDerWaalsContact CG1-OG1 3.23Å; V304-T318 WeakPolarHBondContact CG1-OG1 3.49Å; V304-Y319 WeakPolarHBondContact CA-O 3.39Å; V304-P320 HydrophobicContact CG2-CB 4.25Å
305	L	92.1	Very high	88.4	Confident	35 Å²	35	41.3 Å²	41.3	18%	0.183	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.6	169.7	-56.9	-175.2	0	0	0	107.6	N292 F307 T318 Y319 T321	N292-L305 HydrophobicContact CB-CD2 4.36Å; N292-L305 WeakPolarHBondContact OD1-CD2 3.39Å; L305-F307 HydrophobicContact CB-CE2 4.19Å; L305-T318 CarbonylContact O-C 3.52Å; L305-T318 WeakPolarHBondContact O-CA 3.22Å; L305-T318 PolarHBondContact O-OG1 3.47Å; L305-Y319 HydrophobicContact CB-CE1 4.37Å; L305-Y319 HydrophobicContact CB-CE2 4.17Å; L305-Y319 HydrophobicContact CD1-CE2 3.82Å; L305-Y319 HydrophobicContact CG-CE2 4.3Å; L305-Y319 PolarHBondContact N-O 3.5Å; L305-Y319 PolarHBondContact O-N 3.21Å; L305-T321 HydrophobicContact CD1-CG2 4.05Å; L305-T321 HydrophobicContact CD2-CG2 4.46Å; L305-T321 HydrophobicContact CG-CG2 3.9Å
306	S	91.6	Very high	88.2	Confident	2 Å²	2	44 Å²	44	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.6	-175.1	-60.1	0	0	0	0	109.7	N289 V304 T318	N289-S306 WeakPolarHBondContact CA-O 3.25Å; N289-S306 PolarHBondContact N-O 2.83Å; V304-S306 WeakPolarHBondContact CG1-OG 3.43Å; S306-T318 PolarHBondContact OG-OG1 3.32Å
307	F	86.3	Confident	88	Confident	78 Å²	78	42.9 Å²	42.9	34%	0.342	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.7	176.8	-56.9	-92.5	0	0	0	109.3	M284 N289 L305 I316 T317 Y319	M284-F307 WeakPolarHBondContact CE-O 3.44Å; N289-F307 WeakPolarHBondContact OD1-CA 3.1Å; L305-F307 HydrophobicContact CB-CE2 4.19Å; F307-I316 HydrophobicContact CB-CB 4.46Å; F307-I316 WeakPolarHBondContact O-CB 3.24Å; F307-I316 PolarHBondContact O-N 3.48Å; F307-T317 HydrophobicContact CB-CG2 4.13Å; F307-T317 HydrophobicContact CD2-CG2 3.59Å; F307-T317 HydrophobicContact CE2-CG2 4.46Å; F307-T317 HydrophobicContact CG-CG2 4.25Å; F307-T317 PolarHBondContact N-O 3.15Å; F307-T317 PolarHBondContact O-N 2.66Å; F307-Y319 HydrophobicContact CE2-CE1 4.2Å
308	K	81.8	Confident	88.1	Confident	12 Å²	12	42.8 Å²	42.8	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	160.7	175.1	57	164.9	-167.9	162.2	0	110.2	Y45 M284 P288 N289	Y45-K308 HydrophobicContact CE1-CD 3.9Å; Y45-K308 PolarHBondContact O-NZ 3.45Å; Y45-K308 WeakPolarHBondContact OH-CD 3.22Å; Y45-K308 WeakPolarHBondContact OH-CE 3.48Å; Y45-K308 PolarHBondContact OH-NZ 2.83Å; M284-K308 HydrophobicContact CE-CB 4.46Å; M284-K308 HydrophobicContact SD-CB 3.62Å; M284-K308 HydrophobicContact SD-CD 4.35Å; M284-K308 HydrophobicContact SD-CG 3.89Å; P288-K308 HydrophobicContact CB-CD 4.13Å; P288-K308 HydrophobicContact CB-CG 4.04Å; N289-K308 PolarHBondContact OD1-N 2.83Å; N289-K308 VanDerWaalsContact OD1-N 3.08Å; N289-K308 PolarHBondContact OD1-O 3.41Å
309	F	77	Confident	88.3	Confident	70 Å²	70	40.6 Å²	40.6	31%	0.307	21%	0.209	S	C	.	.			trans	-61.9	154.2	168.1	-62.8	-74.8	0	0	0	109.7	Y187 D312 A314 I316	Y187-F309 AromaticContact CD1-CE2 3.77Å; Y187-F309 HydrophobicContact CD1-CE2 3.77Å; Y187-F309 HydrophobicContact CD1-CZ 4.38Å; Y187-F309 HydrophobicContact CD2-CE2 4.13Å; Y187-F309 AromaticContact CD2-CZ 3.9Å; Y187-F309 HydrophobicContact CD2-CZ 3.9Å; Y187-F309 HydrophobicContact CE1-CE2 4.29Å; Y187-F309 HydrophobicContact CE2-CZ 4.45Å; Y187-F309 AromaticContact CG-CE2 3.67Å; Y187-F309 HydrophobicContact CG-CE2 3.67Å; Y187-F309 AromaticContact CG-CZ 3.87Å; Y187-F309 HydrophobicContact CG-CZ 3.87Å; F309-D312 HydrophobicContact CB-CB 3.63Å; F309-D312 HydrophobicContact CD2-CB 4.09Å; F309-D312 HydrophobicContact CG-CB 4.15Å; F309-A314 HydrophobicContact CD2-CB 4.13Å; F309-A314 HydrophobicContact CE2-CB 4.31Å; F309-I316 HydrophobicContact CD1-CD1 3.73Å; F309-I316 HydrophobicContact CD1-CG1 4.07Å; F309-I316 HydrophobicContact CD2-CD1 4.13Å; F309-I316 HydrophobicContact CD2-CG1 3.62Å; F309-I316 HydrophobicContact CE1-CD1 3.82Å; F309-I316 HydrophobicContact CE1-CG1 3.92Å; F309-I316 HydrophobicContact CE2-CD1 4.22Å; F309-I316 HydrophobicContact CE2-CG1 3.47Å; F309-I316 VanDerWaalsContact CE2-CG1 3.47Å; F309-I316 HydrophobicContact CG-CD1 3.9Å; F309-I316 HydrophobicContact CG-CG1 3.93Å; F309-I316 HydrophobicContact CZ-CD1 4.07Å; F309-I316 HydrophobicContact CZ-CG1 3.63Å
310	R	71.7	Confident	88.5	Confident	142 Å²	142	37.2 Å²	37.2	54%	0.536	18%	0.175	S	C	.	.	S	Bend	trans	-57.3	-67.5	176.1	-170.1	-179.8	-174.8	160.3	5.1	108.4	T46 M47	T46-R310 CarbonylContact C-O 3.58Å; T46-R310 WeakPolarHBondContact CA-O 3.5Å; T46-R310 WeakPolarHBondContact CB-O 3.35Å; T46-R310 WeakPolarHBondContact CG2-O 3.33Å; T46-R310 WeakPolarHBondContact O-CG 3.47Å; M47-R310 VanDerWaalsContact CE-NH2 3.33Å; M47-R310 PolarHBondContact SD-NE 3.06Å; M47-R310 VanDerWaalsContact SD-NE 3.43Å
311	D	74.4	Confident	88.4	Confident	103 Å²	103	35.4 Å²	35.4	55%	0.551	17%	0.168	S	C	*	.	S	Bend	trans	-101.3	24.1	-169.5	-57.3	-54.4	0	0	0	115.3	T46	T46-D311 WeakPolarHBondContact CB-OD1 3.27Å; T46-D311 PolarHBondContact OG1-OD1 3.4Å
312	D	79.8	Confident	88.3	Confident	34 Å²	34	34.5 Å²	34.5	18%	0.182	16%	0.161	C	C	.	.			trans	-132.7	133.3	176.8	-152.3	-45.2	0	0	0	109.8	K185 F309 A314	K185-D312 IonicContact NZ-OD1 3.17Å; K185-D312 PolarHBondContact NZ-OD1 3.16Å; K185-D312 IonicContact NZ-OD2 3.6Å; K185-D312 PolarHBondContact NZ-OD2 2.66Å; F309-D312 HydrophobicContact CB-CB 3.63Å; F309-D312 HydrophobicContact CD2-CB 4.09Å; F309-D312 HydrophobicContact CG-CB 4.15Å; D312-A314 PolarHBondContact O-N 3.38Å; D312-A314 WeakPolarHBondContact OD1-CB 3.46Å; D312-A314 PolarHBondContact OD1-N 2.89Å; D312-A314 VanDerWaalsContact OD1-N 3.11Å
313	P	82.6	Confident	87.9	Confident	18 Å²	18	36.5 Å²	36.5	12%	0.117	18%	0.175	C	C	.	.			trans	-64.1	-18.3	170.8	26.8	-37.9	0	0	0	113.8	M42 K181 M182 V315	M42-P313 HydrophobicContact CE-CB 3.4Å; M42-P313 VanDerWaalsContact CE-CB 3.4Å; M42-P313 HydrophobicContact CE-CG 3.39Å; K181-P313 HydrophobicContact CB-CG 4.07Å; M182-P313 WeakPolarHBondContact CA-O 2.88Å; M182-P313 HydrophobicContact CG-CB 3.86Å; M182-P313 WeakPolarHBondContact CG-O 3.33Å; P313-V315 PolarHBondContact O-N 2.9Å
314	A	87.5	Confident	86.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.			trans	-55	129.8	-177	0	0	0	0	0	111.6	Y187 F309 D312 I316	Y187-A314 HydrophobicContact CD1-CB 4.01Å; F309-A314 HydrophobicContact CD2-CB 4.13Å; F309-A314 HydrophobicContact CE2-CB 4.31Å; D312-A314 PolarHBondContact O-N 3.38Å; D312-A314 WeakPolarHBondContact OD1-CB 3.46Å; D312-A314 PolarHBondContact OD1-N 2.89Å; D312-A314 VanDerWaalsContact OD1-N 3.11Å; A314-I316 PolarHBondContact O-N 2.99Å
315	V	90.5	Very high	86.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.4	172.4	166.6	0	0	0	0	107.9	M182 W183 Y187 G198 V202 M284 P313 T318	M182-V315 HydrophobicContact CB-CG2 4.37Å; M182-V315 PolarHBondContact O-N 2.66Å; W183-V315 HydrophobicContact CD2-CG2 4.47Å; W183-V315 HydrophobicContact CE3-CG2 4.44Å; W183-V315 HydrophobicContact CH2-CG2 4.49Å; W183-V315 HydrophobicContact CZ3-CG1 4.2Å; W183-V315 HydrophobicContact CZ3-CG2 4.45Å; Y187-V315 WeakPolarHBondContact CE1-O 3.28Å; G198-V315 VanDerWaalsContact CA-O 3.24Å; G198-V315 WeakPolarHBondContact CA-O 3.25Å; V202-V315 HydrophobicContact CG2-CG1 3.98Å; M284-V315 HydrophobicContact CE-CB 4.1Å; M284-V315 HydrophobicContact CE-CG1 3.69Å; M284-V315 HydrophobicContact CE-CG2 3.86Å; M284-V315 HydrophobicContact CG-CG2 4.3Å; P313-V315 PolarHBondContact O-N 2.9Å; V315-T318 HydrophobicContact CG1-CG2 4.11Å
316	I	89.6	Confident	86.2	Confident	55 Å²	55	50.3 Å²	50.3	28%	0.282	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-61.3	168.4	-62.7	172.2	0	0	0	108	H201 F307 F309 A314	H201-I316 PolarHBondContact CD2-O 2.92Å; F307-I316 HydrophobicContact CB-CB 4.46Å; F307-I316 WeakPolarHBondContact O-CB 3.24Å; F307-I316 PolarHBondContact O-N 3.48Å; F309-I316 HydrophobicContact CD1-CD1 3.73Å; F309-I316 HydrophobicContact CD1-CG1 4.07Å; F309-I316 HydrophobicContact CD2-CD1 4.13Å; F309-I316 HydrophobicContact CD2-CG1 3.62Å; F309-I316 HydrophobicContact CE1-CD1 3.82Å; F309-I316 HydrophobicContact CE1-CG1 3.92Å; F309-I316 HydrophobicContact CE2-CD1 4.22Å; F309-I316 HydrophobicContact CE2-CG1 3.47Å; F309-I316 VanDerWaalsContact CE2-CG1 3.47Å; F309-I316 HydrophobicContact CG-CD1 3.9Å; F309-I316 HydrophobicContact CG-CG1 3.93Å; F309-I316 HydrophobicContact CZ-CD1 4.07Å; F309-I316 HydrophobicContact CZ-CG1 3.63Å; A314-I316 PolarHBondContact O-N 2.99Å
317	T	92.7	Very high	85.9	Confident	21 Å²	21	53 Å²	53	13%	0.129	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	153.9	177.5	-164.6	0	0	0	0	110.8	H201 F307 Y319	H201-T317 VanDerWaalsContact CD2-CB 3.46Å; H201-T317 WeakPolarHBondContact CD2-CB 3.45Å; H201-T317 PolarHBondContact CD2-OG1 3.3Å; H201-T317 WeakPolarHBondContact NE2-CB 3.37Å; H201-T317 PolarHBondContact NE2-OG1 3.22Å; F307-T317 HydrophobicContact CB-CG2 4.13Å; F307-T317 HydrophobicContact CD2-CG2 3.59Å; F307-T317 HydrophobicContact CE2-CG2 4.46Å; F307-T317 HydrophobicContact CG-CG2 4.25Å; F307-T317 PolarHBondContact N-O 3.15Å; F307-T317 PolarHBondContact O-N 2.66Å; T317-Y319 HydrophobicContact CG2-CD1 4.48Å; T317-Y319 HydrophobicContact CG2-CE1 4.3Å
318	T	95.4	Very high	85.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	137.2	173.8	-179.4	0	0	0	0	109.5	W183 V202 Y280 V304 L305 S306 V315	W183-T318 HydrophobicContact CH2-CG2 3.92Å; W183-T318 HydrophobicContact CZ3-CG2 4.47Å; V202-T318 HydrophobicContact CG1-CG2 3.94Å; V202-T318 WeakPolarHBondContact CG1-O 3.5Å; V202-T318 HydrophobicContact CG2-CG2 3.78Å; Y280-T318 HydrophobicContact CD1-CG2 4.44Å; Y280-T318 HydrophobicContact CD2-CG2 4.09Å; Y280-T318 HydrophobicContact CG-CG2 3.81Å; V304-T318 VanDerWaalsContact CG1-OG1 3.23Å; V304-T318 WeakPolarHBondContact CG1-OG1 3.49Å; L305-T318 CarbonylContact O-C 3.52Å; L305-T318 WeakPolarHBondContact O-CA 3.22Å; L305-T318 PolarHBondContact O-OG1 3.47Å; S306-T318 PolarHBondContact OG-OG1 3.32Å; V315-T318 HydrophobicContact CG1-CG2 4.11Å
319	Y	95.6	Very high	86.1	Confident	60 Å²	60	54 Å²	54	24%	0.235	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	150	-175	56.4	-90.1	0	0	0	112.2	H223 V304 L305 F307 T317	H223-Y319 VanDerWaalsContact CE1-CB 3.5Å; H223-Y319 WeakPolarHBondContact CE1-CB 3.24Å; H223-Y319 AromaticContact CE1-CG 3.79Å; H223-Y319 VanDerWaalsContact CG-CB 3.42Å; H223-Y319 VanDerWaalsContact ND1-CB 3.29Å; H223-Y319 WeakPolarHBondContact ND1-CB 3.49Å; H223-Y319 AromaticContact NE2-CD1 3.99Å; V304-Y319 WeakPolarHBondContact CA-O 3.39Å; L305-Y319 HydrophobicContact CB-CE1 4.37Å; L305-Y319 HydrophobicContact CB-CE2 4.17Å; L305-Y319 HydrophobicContact CD1-CE2 3.82Å; L305-Y319 HydrophobicContact CG-CE2 4.3Å; L305-Y319 PolarHBondContact N-O 3.5Å; L305-Y319 PolarHBondContact O-N 3.21Å; F307-Y319 HydrophobicContact CE2-CE1 4.2Å; T317-Y319 HydrophobicContact CG2-CD1 4.48Å; T317-Y319 HydrophobicContact CG2-CE1 4.3Å
320	P	96.4	Very high	86.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	147.5	178.1	35	-35.4	0	0	0	110.2	L250 S266 L268 Y280 Y303 V304	L250-P320 HydrophobicContact CD1-CB 3.85Å; L250-P320 HydrophobicContact CD1-CG 4.42Å; S266-P320 WeakPolarHBondContact CB-O 3.23Å; S266-P320 PolarHBondContact OG-O 3.43Å; L268-P320 HydrophobicContact CD2-CB 4.16Å; L268-P320 HydrophobicContact CG-CB 3.94Å; L268-P320 HydrophobicContact CG-CG 3.97Å; Y280-P320 WeakPolarHBondContact OH-CD 3.24Å; Y303-P320 CarbonylContact O-C 3.54Å; Y303-P320 VanDerWaalsContact O-CA 3.27Å; Y303-P320 WeakPolarHBondContact O-CA 3.26Å; V304-P320 HydrophobicContact CG2-CB 4.25Å
321	T	93.9	Very high	87.8	Confident	26 Å²	26	46.6 Å²	46.6	16%	0.16	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	173.8	174.4	-167	0	0	0	0	110.6	Y303 L305	Y303-T321 PolarHBondContact N-O 2.88Å; Y303-T321 PolarHBondContact O-N 3.07Å; L305-T321 HydrophobicContact CD1-CG2 4.05Å; L305-T321 HydrophobicContact CD2-CG2 4.46Å; L305-T321 HydrophobicContact CG-CG2 3.9Å
322	L	91	Very high	88.9	Confident	24 Å²	24	42.2 Å²	42.2	13%	0.126	21%	0.212	C	C	.	.			trans	-95.6	157.1	172.3	-59	179	0	0	0	110.9	E244 V246 L250 M302	E244-L322 HydrophobicContact CB-CD1 3.93Å; V246-L322 HydrophobicContact CB-CD2 4.34Å; V246-L322 HydrophobicContact CG2-CD1 3.66Å; V246-L322 HydrophobicContact CG2-CD2 3.39Å; V246-L322 HydrophobicContact CG2-CG 4.17Å; L250-L322 HydrophobicContact CD1-CD2 4.17Å; L250-L322 HydrophobicContact CD2-CD1 4.36Å; L250-L322 HydrophobicContact CD2-CD2 3.96Å; L250-L322 HydrophobicContact CD2-CG 3.88Å; M302-L322 HydrophobicContact CG-CD2 4.11Å
323	P	86.4	Confident	89.6	Confident	43 Å²	43	42.9 Å²	42.9	28%	0.279	22%	0.215	S	C	.	.			trans	-60.9	141.7	165.5	-18.7	30.9	0	0	0	112.8	T301 Y303	T301-P323 HydrophobicContact CG2-CG 3.69Å; Y303-P323 HydrophobicContact CD2-CB 4.05Å; Y303-P323 HydrophobicContact CD2-CG 3.94Å; Y303-P323 HydrophobicContact CE1-CG 4.44Å; Y303-P323 HydrophobicContact CE2-CB 3.32Å; Y303-P323 HydrophobicContact CE2-CG 3.49Å; Y303-P323 VanDerWaalsContact CE2-CG 3.49Å
324	E	74	Confident	90.3	Very high	268 Å²	268	45.2 Å²	45.2	100%	1.252	22%	0.224	S	C	*	.			trans	-58.5	0	170.2	-68.6	-175.3	178.5	0	0	113

Retrieved 324 of 324 residues in 1031.4 ms (Link to these results)

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