A0A087WRY5_MOUSE Loading...

Galactosidase, beta 1-like

AlphaFold DB , UniProt , Accession A0A087WRY5, Species MOUSE (Mus musculus, Mouse), Gene Glb1l, Length 188 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	58.3	Low	72.8	Confident	231 Å²	231	115.4 Å²	115.4	100%	1.138	62%	0.615	S	S	*	*				0	138.1	0	-69.6	-164.4	-164.4	0	0	108.1
2	P	62.3	Low	72.9	Confident	117 Å²	117	114.3 Å²	114.3	76%	0.76	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-61.8	145	170.8	26.4	-31.2	0	0	0	109.8
3	P	62	Low	73	Confident	80 Å²	80	110.9 Å²	110.9	52%	0.519	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-60.2	141.1	175.1	24.8	-31.9	0	0	0	110	L8	P3-L8 HydrophobicContact CB-CD1 4.4Å; P3-L8 HydrophobicContact CB-CG 4.36Å; P3-L8 HydrophobicContact CG-CD1 4.02Å; P3-L8 HydrophobicContact CG-CG 4.21Å
4	D	79.4	Confident	72.7	Confident	98 Å²	98	107.9 Å²	107.9	52%	0.524	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-71.4	147.2	178.3	65.8	-22.1	0	0	0	110.8	P6 S7 L8	D4-P6 VanDerWaalsContact C-N 3.27Å; D4-S7 WeakPolarHBondContact O-CB 3.42Å; D4-S7 PolarHBondContact O-N 3.46Å; D4-S7 WeakPolarHBondContact OD1-CB 3.5Å; D4-S7 PolarHBondContact OD1-N 3.4Å; D4-L8 PolarHBondContact O-N 2.95Å; D4-L8 VanDerWaalsContact O-N 3.16Å
5	L	73.1	Confident	72.1	Confident	140 Å²	140	108.1 Å²	108.1	73%	0.733	58%	0.582	S	S	*	*	H	α-helix	trans	-51.9	-36.3	-177.6	-163.8	70.9	0	0	0	113.8	L8 L9	L5-L8 PolarHBondContact O-N 2.87Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 PolarHBondContact O-N 3.46Å
6	P	77.6	Confident	71.3	Confident	88 Å²	88	107.6 Å²	107.6	57%	0.571	58%	0.578	S	S	*	*	H	α-helix	trans	-65.2	-38.2	174.7	-21.3	33.8	0	0	0	114	D4 L9 L10	D4-P6 VanDerWaalsContact C-N 3.27Å; P6-L9 PolarHBondContact O-N 2.84Å; P6-L10 WeakPolarHBondContact O-CB 3.26Å; P6-L10 PolarHBondContact O-N 3.12Å
7	S	75.6	Confident	70.4	Confident	37 Å²	37	108.3 Å²	108.3	26%	0.259	58%	0.581	S	S	.	*	H	α-helix	trans	-68.9	-37.2	176.9	179.7	0	0	0	0	111.7	D4 R11	D4-S7 WeakPolarHBondContact O-CB 3.42Å; D4-S7 PolarHBondContact O-N 3.46Å; D4-S7 WeakPolarHBondContact OD1-CB 3.5Å; D4-S7 PolarHBondContact OD1-N 3.4Å; S7-R11 WeakPolarHBondContact O-CB 3.4Å; S7-R11 WeakPolarHBondContact O-CG 3.37Å; S7-R11 PolarHBondContact O-N 3.23Å
8	L	78.4	Confident	69.6	Low	88 Å²	88	109.1 Å²	109.1	46%	0.461	59%	0.585	S	S	.	*	H	α-helix	trans	-63.8	-43.3	171.7	-84	155.6	0	0	0	111.7	P3 D4 L5 R11 L12	P3-L8 HydrophobicContact CB-CD1 4.4Å; P3-L8 HydrophobicContact CB-CG 4.36Å; P3-L8 HydrophobicContact CG-CD1 4.02Å; P3-L8 HydrophobicContact CG-CG 4.21Å; D4-L8 PolarHBondContact O-N 2.95Å; D4-L8 VanDerWaalsContact O-N 3.16Å; L5-L8 PolarHBondContact O-N 2.87Å; L8-R11 PolarHBondContact O-N 3.34Å; L8-L12 WeakPolarHBondContact O-CB 3.3Å; L8-L12 PolarHBondContact O-N 3.13Å
9	L	77.6	Confident	68.5	Low	111 Å²	111	108 Å²	108	58%	0.581	59%	0.586	S	S	*	*	H	α-helix	trans	-65.8	-43.4	178.1	-147.4	85.3	0	0	0	111.6	L5 P6 L12 V13	L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 PolarHBondContact O-N 3.46Å; P6-L9 PolarHBondContact O-N 2.84Å; L9-L12 PolarHBondContact O-N 3.11Å; L9-V13 VanDerWaalsContact O-CG2 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.34Å; L9-V13 PolarHBondContact O-N 2.84Å
10	L	77.7	Confident	67.6	Low	116 Å²	116	110.8 Å²	110.8	61%	0.607	60%	0.595	S	S	*	*	H	α-helix	trans	-64.1	-42.4	176.9	-175.8	64.8	0	0	0	111.4	P6 L12 V13 V14	P6-L10 WeakPolarHBondContact O-CB 3.26Å; P6-L10 PolarHBondContact O-N 3.12Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-V13 PolarHBondContact O-N 2.85Å; L10-V14 WeakPolarHBondContact O-CB 3.28Å; L10-V14 VanDerWaalsContact O-CG2 3.24Å; L10-V14 WeakPolarHBondContact O-CG2 3.39Å; L10-V14 PolarHBondContact O-N 2.8Å
11	R	78.9	Confident	66.9	Low	163 Å²	163	109.2 Å²	109.2	62%	0.615	60%	0.598	S	S	*	*	H	α-helix	trans	-62.4	-41.4	173.5	-75.9	173.5	-177.8	-141.3	-1.5	111.6	S7 L8 V14 L15	S7-R11 WeakPolarHBondContact O-CB 3.4Å; S7-R11 WeakPolarHBondContact O-CG 3.37Å; S7-R11 PolarHBondContact O-N 3.23Å; L8-R11 PolarHBondContact O-N 3.34Å; R11-V14 PolarHBondContact O-N 3.28Å; R11-L15 VanDerWaalsContact O-CB 3.28Å; R11-L15 WeakPolarHBondContact O-CB 3.49Å; R11-L15 WeakPolarHBondContact O-CD1 3.49Å; R11-L15 VanDerWaalsContact O-CG 3.27Å; R11-L15 WeakPolarHBondContact O-CG 3.3Å; R11-L15 PolarHBondContact O-N 2.87Å
12	L	74.3	Confident	66.9	Low	103 Å²	103	105 Å²	105	54%	0.539	58%	0.575	S	S	.	*	H	α-helix	trans	-65.2	-41.8	177.8	-161	78.3	0	0	0	111.4	L8 L9 L10 L15 L16	L8-L12 WeakPolarHBondContact O-CB 3.3Å; L8-L12 PolarHBondContact O-N 3.13Å; L9-L12 PolarHBondContact O-N 3.11Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L12-L15 PolarHBondContact O-N 3.2Å; L12-L16 HydrophobicContact CD2-CD1 4.44Å; L12-L16 HydrophobicContact CG-CD1 4.1Å; L12-L16 VanDerWaalsContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CD1 3.41Å; L12-L16 WeakPolarHBondContact O-CG 3.23Å; L12-L16 PolarHBondContact O-N 3.09Å
13	V	73.4	Confident	67.8	Low	70 Å²	70	103.5 Å²	103.5	42%	0.424	57%	0.573	S	S	.	*	H	α-helix	trans	-64.6	-43.6	174.8	170.1	0	0	0	0	111	L9 L10 L16 L17	L9-V13 VanDerWaalsContact O-CG2 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.34Å; L9-V13 PolarHBondContact O-N 2.84Å; L10-V13 PolarHBondContact O-N 2.85Å; V13-L16 PolarHBondContact O-N 3.01Å; V13-L17 HydrophobicContact CG1-CD1 3.82Å; V13-L17 HydrophobicContact CG1-CG 4.4Å; V13-L17 WeakPolarHBondContact O-CB 3.5Å; V13-L17 WeakPolarHBondContact O-CD1 3.46Å; V13-L17 WeakPolarHBondContact O-CG 3.49Å; V13-L17 PolarHBondContact O-N 3.32Å
14	V	69.6	Low	69.4	Low	69 Å²	69	104.2 Å²	104.2	42%	0.418	57%	0.565	S	S	.	*	H	α-helix	trans	-63.3	-42.1	174.8	169.7	0	0	0	0	111.2	L10 R11 L17 L18	L10-V14 WeakPolarHBondContact O-CB 3.28Å; L10-V14 VanDerWaalsContact O-CG2 3.24Å; L10-V14 WeakPolarHBondContact O-CG2 3.39Å; L10-V14 PolarHBondContact O-N 2.8Å; R11-V14 PolarHBondContact O-N 3.28Å; V14-L17 PolarHBondContact O-N 3.22Å; V14-L18 HydrophobicContact CG1-CD1 3.72Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CB 3.39Å; V14-L18 WeakPolarHBondContact O-CD1 3.37Å; V14-L18 WeakPolarHBondContact O-CG 3.47Å; V14-L18 PolarHBondContact O-N 3.31Å
15	L	63.1	Low	70.2	Confident	111 Å²	111	101.1 Å²	101.1	58%	0.581	55%	0.551	S	S	*	*	H	α-helix	trans	-65.6	-39.1	175.9	-79.7	157.1	0	0	0	112.2	R11 L12 L18 S19	R11-L15 VanDerWaalsContact O-CB 3.28Å; R11-L15 WeakPolarHBondContact O-CB 3.49Å; R11-L15 WeakPolarHBondContact O-CD1 3.49Å; R11-L15 VanDerWaalsContact O-CG 3.27Å; R11-L15 WeakPolarHBondContact O-CG 3.3Å; R11-L15 PolarHBondContact O-N 2.87Å; L12-L15 PolarHBondContact O-N 3.2Å; L15-L18 PolarHBondContact O-N 2.99Å; L15-S19 WeakPolarHBondContact O-CB 3.27Å; L15-S19 PolarHBondContact O-N 3.34Å; L15-S19 PolarHBondContact O-OG 2.89Å
16	L	58.9	Low	71.4	Confident	100 Å²	100	96.5 Å²	96.5	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-66.3	-42	174.7	-83.9	156	0	0	0	111.6	L12 V13 S19 Q20	L12-L16 HydrophobicContact CD2-CD1 4.44Å; L12-L16 HydrophobicContact CG-CD1 4.1Å; L12-L16 VanDerWaalsContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CD1 3.41Å; L12-L16 WeakPolarHBondContact O-CG 3.23Å; L12-L16 PolarHBondContact O-N 3.09Å; V13-L16 PolarHBondContact O-N 3.01Å; L16-S19 WeakPolarHBondContact CA-OG 3.28Å; L16-S19 PolarHBondContact O-N 2.91Å; L16-S19 PolarHBondContact O-OG 2.81Å; L16-Q20 PolarHBondContact O-N 2.8Å
17	L	56.8	Low	72.3	Confident	119 Å²	119	95.7 Å²	95.7	62%	0.623	52%	0.519	S	S	*	.	H	α-helix	trans	-65.4	-38.8	174.4	-72.7	166.3	0	0	0	111.9	V13 V14 Q20	V13-L17 HydrophobicContact CG1-CD1 3.82Å; V13-L17 HydrophobicContact CG1-CG 4.4Å; V13-L17 WeakPolarHBondContact O-CB 3.5Å; V13-L17 WeakPolarHBondContact O-CD1 3.46Å; V13-L17 WeakPolarHBondContact O-CG 3.49Å; V13-L17 PolarHBondContact O-N 3.32Å; V14-L17 PolarHBondContact O-N 3.22Å; L17-Q20 PolarHBondContact O-N 3.2Å
18	L	55.6	Low	73.4	Confident	123 Å²	123	98.1 Å²	98.1	64%	0.644	53%	0.532	S	S	*	.	H	α-helix	trans	-70	-32.5	174.7	-72.5	165.3	0	0	0	112.3	V14 L15 Q20	V14-L18 HydrophobicContact CG1-CD1 3.72Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CB 3.39Å; V14-L18 WeakPolarHBondContact O-CD1 3.37Å; V14-L18 WeakPolarHBondContact O-CG 3.47Å; V14-L18 PolarHBondContact O-N 3.31Å; L15-L18 PolarHBondContact O-N 2.99Å; L18-Q20 VanDerWaalsContact C-N 3.29Å; L18-Q20 PolarHBondContact O-N 3.14Å
19	S	49.7	Very low	74.3	Confident	88 Å²	88	95 Å²	95	62%	0.615	52%	0.515	S	S	*	.	H	α-helix	trans	-76.5	-13	177.1	68.6	0	0	0	0	114.4	L15 L16	L15-S19 WeakPolarHBondContact O-CB 3.27Å; L15-S19 PolarHBondContact O-N 3.34Å; L15-S19 PolarHBondContact O-OG 2.89Å; L16-S19 WeakPolarHBondContact CA-OG 3.28Å; L16-S19 PolarHBondContact O-N 2.91Å; L16-S19 PolarHBondContact O-OG 2.81Å
20	Q	49.3	Very low	75.3	Confident	163 Å²	163	99.8 Å²	99.8	76%	0.762	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-0.5	178.3	-79.7	-151.6	-20.9	0	0	114.3	L16 L17 L18 E22	L16-Q20 PolarHBondContact O-N 2.8Å; L17-Q20 PolarHBondContact O-N 3.2Å; L18-Q20 VanDerWaalsContact C-N 3.29Å; L18-Q20 PolarHBondContact O-N 3.14Å; Q20-E22 PolarHBondContact O-N 3.25Å
21	A	52.6	Low	76.2	Confident	79 Å²	79	102.5 Å²	102.5	65%	0.653	54%	0.535	S	S	*	.			trans	-76.2	79.4	168.6	0	0	0	0	0	108.9	A23	A21-A23 PolarHBondContact O-N 2.9Å
22	E	59.8	Low	77.1	Confident	142 Å²	142	99.8 Å²	99.8	66%	0.664	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-50.8	137.9	159.3	-96.1	-173.7	164.9	0	0	108.4	Q20 R24	Q20-E22 PolarHBondContact O-N 3.25Å; E22-R24 PolarHBondContact O-N 3.38Å
23	A	81.1	Confident	78.2	Confident	86 Å²	86	102.2 Å²	102.2	71%	0.711	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-56.7	136.1	177.1	0	0	0	0	0	109.3	A21 S25	A21-A23 PolarHBondContact O-N 2.9Å; A23-S25 PolarHBondContact O-N 2.92Å; A23-S25 VanDerWaalsContact O-N 3.17Å
24	R	94	Very high	79.4	Confident	95 Å²	95	103.5 Å²	103.5	36%	0.358	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-51	124.6	-178.5	-72.6	-177.3	68.6	-174	-8.7	110.6	E22 D38 Y168 H169 G171 G172	E22-R24 PolarHBondContact O-N 3.38Å; R24-D38 WeakPolarHBondContact CA-OD1 3.36Å; R24-Y168 HydrophobicContact CB-CD1 4.1Å; R24-Y168 HydrophobicContact CB-CE1 3.86Å; R24-Y168 HydrophobicContact CG-CE1 4.44Å; R24-H169 WeakPolarHBondContact O-CA 3.33Å; R24-G171 VanDerWaalsContact NH1-CA 3.33Å; R24-G171 PolarHBondContact NH1-O 3.27Å; R24-G172 PolarHBondContact NH2-O 3.2Å
25	S	96.4	Very high	80.8	Confident	33 Å²	33	103 Å²	103	23%	0.231	53%	0.532	C	S	.	.			trans	-140.3	145.4	-173.3	64.3	0	0	0	0	112.4	A23 L37 D38	A23-S25 PolarHBondContact O-N 2.92Å; A23-S25 VanDerWaalsContact O-N 3.17Å; S25-L37 WeakPolarHBondContact O-CA 3.38Å; S25-D38 PolarHBondContact N-OD1 3.45Å; S25-D38 PolarHBondContact O-N 3.39Å
26	F	98	Very high	82.5	Confident	42 Å²	42	99.3 Å²	99.3	18%	0.184	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	112.7	170.3	-173.2	-99	0	0	0	108.1	F35 L36 L37 F42 Y168 I175	F26-F35 HydrophobicContact CD1-CD1 4.46Å; F26-F35 AromaticContact CE1-CD1 3.51Å; F26-F35 HydrophobicContact CE1-CD1 3.51Å; F26-F35 AromaticContact CE1-CE1 3.81Å; F26-F35 HydrophobicContact CE1-CE1 3.81Å; F26-F35 HydrophobicContact CE1-CG 4.14Å; F26-F35 HydrophobicContact CE2-CB 3.98Å; F26-F35 HydrophobicContact CE2-CD1 4.35Å; F26-F35 HydrophobicContact CE2-CG 4.22Å; F26-F35 HydrophobicContact CZ-CB 3.85Å; F26-F35 AromaticContact CZ-CD1 3.45Å; F26-F35 HydrophobicContact CZ-CD1 3.45Å; F26-F35 VanDerWaalsContact CZ-CD1 3.45Å; F26-F35 HydrophobicContact CZ-CD2 4.23Å; F26-F35 AromaticContact CZ-CE1 3.98Å; F26-F35 HydrophobicContact CZ-CE1 3.98Å; F26-F35 AromaticContact CZ-CG 3.58Å; F26-F35 HydrophobicContact CZ-CG 3.58Å; F26-L36 CarbonylContact C-O 3.55Å; F26-L36 WeakPolarHBondContact CA-O 3.04Å; F26-L37 HydrophobicContact CD2-CB 4.47Å; F26-L37 HydrophobicContact CD2-CD1 3.66Å; F26-L37 HydrophobicContact CE2-CD1 4.4Å; F26-F42 AromaticContact CE2-CD1 3.58Å; F26-F42 HydrophobicContact CE2-CD1 3.58Å; F26-F42 AromaticContact CE2-CE1 3.81Å; F26-F42 HydrophobicContact CE2-CE1 3.81Å; F26-F42 HydrophobicContact CZ-CD1 4.35Å; F26-F42 HydrophobicContact CZ-CE1 4.46Å; F26-Y168 HydrophobicContact CB-CD1 4.33Å; F26-I175 HydrophobicContact CB-CB 4.48Å; F26-I175 HydrophobicContact CB-CG2 4.42Å; F26-I175 HydrophobicContact CD1-CB 3.96Å; F26-I175 WeakPolarHBondContact CD1-O 3.33Å; F26-I175 HydrophobicContact CD2-CB 3.9Å; F26-I175 HydrophobicContact CD2-CG2 3.9Å; F26-I175 HydrophobicContact CE1-CB 4.08Å; F26-I175 WeakPolarHBondContact CE1-O 3.34Å; F26-I175 HydrophobicContact CE2-CB 4Å; F26-I175 HydrophobicContact CE2-CD1 3.92Å; F26-I175 HydrophobicContact CE2-CG2 4.27Å; F26-I175 HydrophobicContact CG-CB 3.84Å; F26-I175 HydrophobicContact CG-CG2 4.09Å; F26-I175 HydrophobicContact CZ-CB 4.1Å; F26-I175 HydrophobicContact CZ-CD1 3.91Å; F26-I175 HydrophobicContact CZ-CG1 4.42Å
27	V	97.8	Very high	84.3	Confident	72 Å²	72	96 Å²	96	44%	0.436	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.6	-167.2	-178.8	0	0	0	0	110.6	F35 L36	V27-F35 CarbonylContact O-C 3.34Å; V27-F35 VanDerWaalsContact O-CA 3.26Å; V27-F35 WeakPolarHBondContact O-CA 3.35Å; V27-L36 HydrophobicContact CB-CB 4.48Å; V27-L36 PolarHBondContact N-O 3.34Å; V27-L36 PolarHBondContact O-N 2.9Å
28	V	98.2	Very high	86.2	Confident	88 Å²	88	93 Å²	93	53%	0.533	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	107.4	167.8	-174.9	0	0	0	0	108.7	R30 F35	V28-R30 HydrophobicContact CG1-CG 3.97Å; V28-R30 PolarHBondContact O-N 3.48Å; V28-F35 HydrophobicContact CG2-CD1 4.03Å; V28-F35 HydrophobicContact CG2-CE1 3.73Å
29	D	97.9	Very high	88.2	Confident	22 Å²	22	89.1 Å²	89.1	12%	0.118	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	91.4	172.5	175.2	5.2	0	0	0	108.5	E31 H32 D33 R34 L36	D29-E31 VanDerWaalsContact C-N 3.28Å; D29-E31 PolarHBondContact O-N 3.45Å; D29-E31 PolarHBondContact OD1-N 2.88Å; D29-H32 VanDerWaalsContact CG-ND1 3.27Å; D29-H32 PolarHBondContact O-N 2.82Å; D29-H32 IonicContact OD1-CE1 3.93Å; D29-H32 IonicContact OD1-CG 3.7Å; D29-H32 PolarHBondContact OD1-N 3.35Å; D29-H32 IonicContact OD1-ND1 2.87Å; D29-H32 PolarHBondContact OD1-ND1 3.43Å; D29-H32 WeakPolarHBondContact OD2-CB 3.39Å; D29-H32 IonicContact OD2-CG 3.45Å; D29-H32 IonicContact OD2-ND1 2.95Å; D29-H32 PolarHBondContact OD2-ND1 3.37Å; D29-D33 PolarHBondContact O-N 3.37Å; D29-D33 VanDerWaalsContact O-N 3.11Å; D29-R34 WeakPolarHBondContact CA-O 3.32Å; D29-R34 HydrophobicContact CB-CG 3.93Å; D29-R34 WeakPolarHBondContact CB-O 3.25Å; D29-R34 PolarHBondContact N-O 2.99Å; D29-R34 PolarHBondContact O-N 3.17Å; D29-R34 VanDerWaalsContact O-N 3.13Å; D29-R34 IonicContact OD2-CZ 2.82Å; D29-R34 IonicContact OD2-NE 2.76Å; D29-R34 PolarHBondContact OD2-NE 3.42Å; D29-R34 IonicContact OD2-NH2 2.63Å; D29-R34 PolarHBondContact OD2-NH2 2.9Å; D29-R34 VanDerWaalsContact OD2-NH2 3.12Å; D29-L36 HydrophobicContact CB-CD1 3.96Å; D29-L36 HydrophobicContact CB-CD2 4.37Å; D29-L36 HydrophobicContact CB-CG 3.83Å
30	R	97.3	Very high	90.4	Very high	211 Å²	211	89.3 Å²	89.3	80%	0.796	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.4	-175.9	-62.7	-176.7	-177.2	-168.8	0.1	113.3	V28 H32	V28-R30 HydrophobicContact CG1-CG 3.97Å; V28-R30 PolarHBondContact O-N 3.48Å; R30-H32 VanDerWaalsContact C-N 3.31Å
31	E	97.6	Very high	92.7	Very high	174 Å²	174	85.2 Å²	85.2	81%	0.813	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-29.2	-179.8	-65.5	-177.1	172	0	0	111.5	D29	D29-E31 VanDerWaalsContact C-N 3.28Å; D29-E31 PolarHBondContact O-N 3.45Å; D29-E31 PolarHBondContact OD1-N 2.88Å
32	H	97.8	Very high	94.9	Very high	105 Å²	105	83 Å²	83	49%	0.486	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	14.5	-176.7	-51.3	90.4	0	0	0	113.3	D29 R30 R34	D29-H32 VanDerWaalsContact CG-ND1 3.27Å; D29-H32 PolarHBondContact O-N 2.82Å; D29-H32 IonicContact OD1-CE1 3.93Å; D29-H32 IonicContact OD1-CG 3.7Å; D29-H32 PolarHBondContact OD1-N 3.35Å; D29-H32 IonicContact OD1-ND1 2.87Å; D29-H32 PolarHBondContact OD1-ND1 3.43Å; D29-H32 WeakPolarHBondContact OD2-CB 3.39Å; D29-H32 IonicContact OD2-CG 3.45Å; D29-H32 IonicContact OD2-ND1 2.95Å; D29-H32 PolarHBondContact OD2-ND1 3.37Å; R30-H32 VanDerWaalsContact C-N 3.31Å; H32-R34 VanDerWaalsContact C-N 3.31Å; H32-R34 HydrophobicContact CB-CG 4.06Å; H32-R34 PolarHBondContact O-N 2.81Å
33	D	97.9	Very high	96.8	Very high	155 Å²	155	86 Å²	86	83%	0.829	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	46.1	178	-65.8	-39.2	0	0	0	114.2	D29	D29-D33 PolarHBondContact O-N 3.37Å; D29-D33 VanDerWaalsContact O-N 3.11Å
34	R	98.2	Very high	97.6	Very high	96 Å²	96	86.2 Å²	86.2	36%	0.362	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	170	-175.5	67.6	-171.3	178.2	-173.4	-4	113.1	D29 H32 L36	D29-R34 WeakPolarHBondContact CA-O 3.32Å; D29-R34 HydrophobicContact CB-CG 3.93Å; D29-R34 WeakPolarHBondContact CB-O 3.25Å; D29-R34 PolarHBondContact N-O 2.99Å; D29-R34 PolarHBondContact O-N 3.17Å; D29-R34 VanDerWaalsContact O-N 3.13Å; D29-R34 IonicContact OD2-CZ 2.82Å; D29-R34 IonicContact OD2-NE 2.76Å; D29-R34 PolarHBondContact OD2-NE 3.42Å; D29-R34 IonicContact OD2-NH2 2.63Å; D29-R34 PolarHBondContact OD2-NH2 2.9Å; D29-R34 VanDerWaalsContact OD2-NH2 3.12Å; H32-R34 VanDerWaalsContact C-N 3.31Å; H32-R34 HydrophobicContact CB-CG 4.06Å; H32-R34 PolarHBondContact O-N 2.81Å; R34-L36 HydrophobicContact CG-CD2 4.45Å
35	F	98.6	Very high	97.8	Very high	59 Å²	59	85.8 Å²	85.8	26%	0.259	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	152.4	164.4	-61.9	-77.4	0	0	0	110.3	F26 V27 V28 F42 Y44	F26-F35 HydrophobicContact CD1-CD1 4.46Å; F26-F35 AromaticContact CE1-CD1 3.51Å; F26-F35 HydrophobicContact CE1-CD1 3.51Å; F26-F35 AromaticContact CE1-CE1 3.81Å; F26-F35 HydrophobicContact CE1-CE1 3.81Å; F26-F35 HydrophobicContact CE1-CG 4.14Å; F26-F35 HydrophobicContact CE2-CB 3.98Å; F26-F35 HydrophobicContact CE2-CD1 4.35Å; F26-F35 HydrophobicContact CE2-CG 4.22Å; F26-F35 HydrophobicContact CZ-CB 3.85Å; F26-F35 AromaticContact CZ-CD1 3.45Å; F26-F35 HydrophobicContact CZ-CD1 3.45Å; F26-F35 VanDerWaalsContact CZ-CD1 3.45Å; F26-F35 HydrophobicContact CZ-CD2 4.23Å; F26-F35 AromaticContact CZ-CE1 3.98Å; F26-F35 HydrophobicContact CZ-CE1 3.98Å; F26-F35 AromaticContact CZ-CG 3.58Å; F26-F35 HydrophobicContact CZ-CG 3.58Å; V27-F35 CarbonylContact O-C 3.34Å; V27-F35 VanDerWaalsContact O-CA 3.26Å; V27-F35 WeakPolarHBondContact O-CA 3.35Å; V28-F35 HydrophobicContact CG2-CD1 4.03Å; V28-F35 HydrophobicContact CG2-CE1 3.73Å; F35-F42 HydrophobicContact CB-CB 4.47Å; F35-F42 HydrophobicContact CB-CD1 4.24Å; F35-F42 PolarHBondContact O-N 3.25Å; F35-Y44 HydrophobicContact CD2-CD1 4.44Å; F35-Y44 HydrophobicContact CD2-CE1 4.26Å; F35-Y44 HydrophobicContact CE2-CD1 4.22Å; F35-Y44 AromaticContact CE2-CE1 3.59Å; F35-Y44 HydrophobicContact CE2-CE1 3.59Å; F35-Y44 HydrophobicContact CZ-CE1 4.07Å
36	L	98.3	Very high	97.9	Very high	33 Å²	33	86 Å²	86	17%	0.173	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.6	164.7	-56.1	177.1	0	0	0	108.1	F26 V27 D29 R34 V40 P41	F26-L36 CarbonylContact C-O 3.55Å; F26-L36 WeakPolarHBondContact CA-O 3.04Å; V27-L36 HydrophobicContact CB-CB 4.48Å; V27-L36 PolarHBondContact N-O 3.34Å; V27-L36 PolarHBondContact O-N 2.9Å; D29-L36 HydrophobicContact CB-CD1 3.96Å; D29-L36 HydrophobicContact CB-CD2 4.37Å; D29-L36 HydrophobicContact CB-CG 3.83Å; R34-L36 HydrophobicContact CG-CD2 4.45Å; L36-V40 CarbonylContact C-O 3.52Å; L36-V40 VanDerWaalsContact CA-O 3.28Å; L36-V40 WeakPolarHBondContact CA-O 3.2Å; L36-P41 HydrophobicContact CD2-CG 4.24Å
37	L	97.8	Very high	98	Very high	32 Å²	32	85 Å²	85	17%	0.168	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.7	168.8	-173.8	77.6	0	0	0	106.4	S25 F26 G39 V40 F42 L111 Y168 I175	S25-L37 WeakPolarHBondContact O-CA 3.38Å; F26-L37 HydrophobicContact CD2-CB 4.47Å; F26-L37 HydrophobicContact CD2-CD1 3.66Å; F26-L37 HydrophobicContact CE2-CD1 4.4Å; L37-G39 VanDerWaalsContact C-N 3.3Å; L37-G39 PolarHBondContact O-N 3.13Å; L37-V40 PolarHBondContact N-O 3.29Å; L37-V40 WeakPolarHBondContact O-CB 3.2Å; L37-V40 PolarHBondContact O-N 2.91Å; L37-F42 HydrophobicContact CB-CB 3.59Å; L37-F42 HydrophobicContact CB-CD1 4.4Å; L37-F42 HydrophobicContact CB-CD2 3.97Å; L37-F42 HydrophobicContact CB-CG 3.71Å; L37-F42 HydrophobicContact CD2-CD2 3.77Å; L37-F42 HydrophobicContact CD2-CE2 4.01Å; L37-F42 HydrophobicContact CD2-CG 4.31Å; L37-F42 HydrophobicContact CG-CD2 4.48Å; L37-L111 HydrophobicContact CD1-CD1 4.41Å; L37-L111 HydrophobicContact CD2-CD1 4.13Å; L37-Y168 HydrophobicContact CD1-CD1 4.24Å; L37-Y168 HydrophobicContact CD1-CD2 4.32Å; L37-Y168 HydrophobicContact CD1-CE1 3.61Å; L37-Y168 HydrophobicContact CD1-CE2 3.68Å; L37-Y168 WeakPolarHBondContact CD1-OH 3.46Å; L37-Y168 HydrophobicContact CG-CE1 4.38Å; L37-I175 HydrophobicContact CD1-CG2 4.32Å
38	D	96.9	Very high	98	Very high	56 Å²	56	85.1 Å²	85.1	30%	0.299	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	48.1	-175.6	-57.5	-26.8	0	0	0	112.4	R24 S25 V40 Y168	R24-D38 WeakPolarHBondContact CA-OD1 3.36Å; S25-D38 PolarHBondContact N-OD1 3.45Å; S25-D38 PolarHBondContact O-N 3.39Å; D38-V40 PolarHBondContact O-N 3.12Å; D38-V40 VanDerWaalsContact O-N 3.09Å; D38-Y168 WeakPolarHBondContact OD1-CE1 3.28Å; D38-Y168 PolarHBondContact OD2-OH 2.91Å
39	G	96.4	Very high	98.1	Very high	40 Å²	40	82 Å²	82	41%	0.412	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	-8.4	-178.5	0	0	0	0	0	115.3	L37	L37-G39 VanDerWaalsContact C-N 3.3Å; L37-G39 PolarHBondContact O-N 3.13Å
40	V	96.9	Very high	98.1	Very high	93 Å²	93	82.4 Å²	82.4	56%	0.564	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	135.1	-176.8	-177.5	0	0	0	0	111.1	L36 L37 D38 F42	L36-V40 CarbonylContact C-O 3.52Å; L36-V40 VanDerWaalsContact CA-O 3.28Å; L36-V40 WeakPolarHBondContact CA-O 3.2Å; L37-V40 PolarHBondContact N-O 3.29Å; L37-V40 WeakPolarHBondContact O-CB 3.2Å; L37-V40 PolarHBondContact O-N 2.91Å; D38-V40 PolarHBondContact O-N 3.12Å; D38-V40 VanDerWaalsContact O-N 3.09Å; V40-F42 PolarHBondContact O-N 3.23Å
41	P	98.3	Very high	98.2	Very high	76 Å²	76	72.3 Å²	72.3	49%	0.494	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.6	123.6	173.1	-30.5	38.1	0	0	0	112.8	L36	L36-P41 HydrophobicContact CD2-CG 4.24Å
42	F	98.5	Very high	98.2	Very high	34 Å²	34	64.8 Å²	64.8	15%	0.149	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.5	-172.7	177.8	-94.7	0	0	0	111.9	F26 F35 L37 V40 Y44 L111 I175	F26-F42 AromaticContact CE2-CD1 3.58Å; F26-F42 HydrophobicContact CE2-CD1 3.58Å; F26-F42 AromaticContact CE2-CE1 3.81Å; F26-F42 HydrophobicContact CE2-CE1 3.81Å; F26-F42 HydrophobicContact CZ-CD1 4.35Å; F26-F42 HydrophobicContact CZ-CE1 4.46Å; F35-F42 HydrophobicContact CB-CB 4.47Å; F35-F42 HydrophobicContact CB-CD1 4.24Å; F35-F42 PolarHBondContact O-N 3.25Å; L37-F42 HydrophobicContact CB-CB 3.59Å; L37-F42 HydrophobicContact CB-CD1 4.4Å; L37-F42 HydrophobicContact CB-CD2 3.97Å; L37-F42 HydrophobicContact CB-CG 3.71Å; L37-F42 HydrophobicContact CD2-CD2 3.77Å; L37-F42 HydrophobicContact CD2-CE2 4.01Å; L37-F42 HydrophobicContact CD2-CG 4.31Å; L37-F42 HydrophobicContact CG-CD2 4.48Å; V40-F42 PolarHBondContact O-N 3.23Å; F42-Y44 HydrophobicContact CE1-CD1 4.41Å; F42-L111 HydrophobicContact CE1-CD1 4.16Å; F42-L111 HydrophobicContact CE2-CD1 3.83Å; F42-L111 HydrophobicContact CZ-CD1 3.43Å; F42-L111 VanDerWaalsContact CZ-CD1 3.43Å; F42-I175 HydrophobicContact CE1-CD1 4.21Å
43	R	98.5	Very high	98.2	Very high	204 Å²	204	65.4 Å²	65.4	77%	0.77	34%	0.339	S	S	*	.			trans	-143.3	124.8	172.4	-171.6	-175.8	-42.2	-163.2	4	108.8	N72	R43-N72 PolarHBondContact O-ND2 2.8Å
44	Y	98.4	Very high	98.3	Very high	91 Å²	91	59.2 Å²	59.2	36%	0.357	31%	0.307	S	S	.	.			trans	-79.3	143.5	171.6	59.5	-100.6	0	0	0	110.7	F35 F42 N72 I113 I175	F35-Y44 HydrophobicContact CD2-CD1 4.44Å; F35-Y44 HydrophobicContact CD2-CE1 4.26Å; F35-Y44 HydrophobicContact CE2-CD1 4.22Å; F35-Y44 AromaticContact CE2-CE1 3.59Å; F35-Y44 HydrophobicContact CE2-CE1 3.59Å; F35-Y44 HydrophobicContact CZ-CE1 4.07Å; F42-Y44 HydrophobicContact CE1-CD1 4.41Å; Y44-N72 VanDerWaalsContact CA-OD1 3.23Å; Y44-N72 WeakPolarHBondContact CA-OD1 3.16Å; Y44-I113 HydrophobicContact CD1-CD1 4.34Å; Y44-I113 HydrophobicContact CD2-CD1 3.69Å; Y44-I113 HydrophobicContact CE1-CD1 4.34Å; Y44-I113 HydrophobicContact CE2-CD1 3.7Å; Y44-I113 HydrophobicContact CG-CD1 4.02Å; Y44-I175 HydrophobicContact CD1-CD1 4.41Å
45	V	98.7	Very high	98.3	Very high	85 Å²	85	58.1 Å²	58.1	52%	0.515	31%	0.312	S	S	.	.			trans	-120	113.1	160.3	-175.7	0	0	0	0	105.1	L71 N72 A73	V45-L71 HydrophobicContact CG1-CD2 3.82Å; V45-L71 WeakPolarHBondContact O-CA 3.49Å; V45-N72 PolarHBondContact N-OD1 2.9Å; V45-N72 PolarHBondContact O-N 2.86Å; V45-N72 VanDerWaalsContact O-N 3.14Å; V45-N72 PolarHBondContact O-OD1 2.85Å; V45-A73 PolarHBondContact O-N 3.04Å
46	S	98.9	Very high	98.3	Very high	39 Å²	39	57.8 Å²	57.8	27%	0.273	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.9	-168.3	-168.3	0	0	0	0	113.1	A73 Q75	S46-A73 VanDerWaalsContact CA-O 3.23Å; S46-A73 WeakPolarHBondContact CA-O 3.24Å; S46-A73 WeakPolarHBondContact CB-O 3.42Å; S46-A73 PolarHBondContact OG-O 3.4Å; S46-Q75 PolarHBondContact OG-N 2.89Å
47	G	98.7	Very high	98.3	Very high	20 Å²	20	62.3 Å²	62.3	21%	0.206	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.9	168.5	0	0	0	0	0	110.6	M66 Q75	G47-M66 VanDerWaalsContact O-CE 3.26Å; G47-M66 WeakPolarHBondContact O-CE 3.36Å; G47-Q75 PolarHBondContact O-N 3.25Å
48	S	98.8	Very high	98.3	Very high	74 Å²	74	63.4 Å²	63.4	52%	0.517	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.5	178.9	-65.4	0	0	0	0	112.1	Q75	S48-Q75 CarbonylContact C-O 3.58Å; S48-Q75 VanDerWaalsContact CA-O 3.22Å; S48-Q75 WeakPolarHBondContact CA-O 3.32Å
49	L	98.8	Very high	98.4	Very high	24 Å²	24	61.1 Å²	61.1	13%	0.126	34%	0.337	C	S	.	.			trans	-140.3	107.8	174.8	-179.2	67.5	0	0	0	110.8	Y51 V54 R62 L63 M66 V74 Q75 F76 F101	L49-Y51 PolarHBondContact O-N 2.87Å; L49-V54 HydrophobicContact CD1-CG2 4.01Å; L49-R62 HydrophobicContact CD1-CB 4.16Å; L49-R62 HydrophobicContact CD2-CB 3.68Å; L49-L63 HydrophobicContact CD2-CD2 3.81Å; L49-L63 HydrophobicContact CD2-CG 3.9Å; L49-M66 HydrophobicContact CB-CE 4.29Å; L49-M66 HydrophobicContact CB-SD 3.69Å; L49-M66 HydrophobicContact CD2-SD 3.82Å; L49-M66 HydrophobicContact CG-SD 4.26Å; L49-V74 HydrophobicContact CB-CG2 3.94Å; L49-Q75 PolarHBondContact N-O 3.28Å; L49-F76 WeakPolarHBondContact O-CB 3.49Å; L49-F101 HydrophobicContact CB-CZ 4.49Å; L49-F101 HydrophobicContact CD2-CE2 4.03Å; L49-F101 HydrophobicContact CD2-CZ 3.9Å; L49-F101 HydrophobicContact CG-CZ 4.13Å
50	H	98.8	Very high	98.5	Very high	29 Å²	29	61.3 Å²	61.3	13%	0.134	34%	0.335	C	S	.	.			trans	-86.1	106.1	-177.5	-60.7	170.9	0	0	0	110.6	F52 R53 Y77	H50-F52 HydrophobicContact CB-CD1 4.08Å; H50-F52 HydrophobicContact CB-CE1 3.6Å; H50-F52 HydrophobicContact CB-CE2 4.09Å; H50-F52 HydrophobicContact CB-CZ 3.61Å; H50-F52 AromaticContact CG-CE1 3.93Å; H50-F52 AromaticContact CG-CZ 3.7Å; H50-F52 AromaticContact ND1-CZ 3.71Å; H50-F52 PolarHBondContact O-N 2.87Å; H50-R53 HydrophobicContact CB-CB 4.23Å; H50-R53 HydrophobicContact CB-CG 4.08Å; H50-R53 PolarHBondContact ND1-NH1 3.35Å; H50-R53 WeakPolarHBondContact O-CB 3.49Å; H50-R53 PolarHBondContact O-N 2.94Å; H50-Y77 AromaticContact CE1-CD2 3.61Å; H50-Y77 AromaticContact CE1-CE2 3.93Å; H50-Y77 AromaticContact NE2-CD2 3.37Å; H50-Y77 WeakPolarHBondContact NE2-CD2 3.31Å; H50-Y77 AromaticContact NE2-CE2 3.77Å
51	Y	98.7	Very high	98.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-56.7	-35.2	-178.4	67.1	-87.4	0	0	0	112.9	L49 R53 V54 W59 F76 Y77 Y82 H83 L98 F101	L49-Y51 PolarHBondContact O-N 2.87Å; Y51-R53 PolarHBondContact O-N 2.89Å; Y51-R53 VanDerWaalsContact O-N 3.12Å; Y51-V54 PolarHBondContact O-N 3.38Å; Y51-V54 VanDerWaalsContact O-N 3.07Å; Y51-W59 HydrophobicContact CD2-CZ2 4.12Å; Y51-W59 PolarHBondContact O-NE1 2.87Å; Y51-F76 AromaticContact CD1-CD2 3.85Å; Y51-F76 HydrophobicContact CD1-CD2 3.85Å; Y51-F76 HydrophobicContact CD1-CE2 4.22Å; Y51-F76 AromaticContact CE1-CD2 3.83Å; Y51-F76 HydrophobicContact CE1-CD2 3.83Å; Y51-F76 HydrophobicContact CE1-CE2 4.05Å; Y51-Y77 WeakPolarHBondContact CE1-O 3.33Å; Y51-Y82 HydrophobicContact CE2-CD1 4.5Å; Y51-Y82 HydrophobicContact CE2-CE1 4.28Å; Y51-H83 AromaticContact CE2-NE2 3.95Å; Y51-H83 AromaticContact CZ-NE2 3.67Å; Y51-H83 PolarHBondContact OH-NE2 2.67Å; Y51-L98 HydrophobicContact CE1-CD1 4.1Å; Y51-F101 AromaticContact CD1-CD1 3.96Å; Y51-F101 HydrophobicContact CD1-CD1 3.96Å; Y51-F101 HydrophobicContact CD1-CE1 4.3Å; Y51-F101 HydrophobicContact CD1-CG 4.38Å; Y51-F101 HydrophobicContact CG-CB 4.37Å; Y51-F101 HydrophobicContact CG-CD1 4.16Å; Y51-F101 HydrophobicContact CG-CG 4.12Å
52	F	98.4	Very high	98.6	Very high	16 Å²	16	60 Å²	60	7%	0.07	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-69.1	-4.6	176.8	59.4	-91.2	0	0	0	114.1	H50 Y77 P79 Y82 I120 W124	H50-F52 HydrophobicContact CB-CD1 4.08Å; H50-F52 HydrophobicContact CB-CE1 3.6Å; H50-F52 HydrophobicContact CB-CE2 4.09Å; H50-F52 HydrophobicContact CB-CZ 3.61Å; H50-F52 AromaticContact CG-CE1 3.93Å; H50-F52 AromaticContact CG-CZ 3.7Å; H50-F52 AromaticContact ND1-CZ 3.71Å; H50-F52 PolarHBondContact O-N 2.87Å; F52-Y77 WeakPolarHBondContact CE1-O 3.29Å; F52-P79 HydrophobicContact CB-CG 4.4Å; F52-P79 HydrophobicContact CD1-CG 3.39Å; F52-P79 HydrophobicContact CD2-CG 3.83Å; F52-P79 HydrophobicContact CE1-CG 3.4Å; F52-P79 VanDerWaalsContact CE1-CG 3.4Å; F52-P79 HydrophobicContact CE2-CG 3.84Å; F52-P79 HydrophobicContact CG-CG 3.61Å; F52-P79 HydrophobicContact CZ-CG 3.63Å; F52-Y82 HydrophobicContact CB-CD1 3.79Å; F52-Y82 HydrophobicContact CB-CE1 3.55Å; F52-Y82 HydrophobicContact CB-CE2 4.46Å; F52-Y82 HydrophobicContact CB-CG 4.31Å; F52-I120 HydrophobicContact CZ-CD1 4.43Å; F52-W124 HydrophobicContact CD2-CD2 4.05Å; F52-W124 AromaticContact CD2-CE3 3.73Å; F52-W124 HydrophobicContact CD2-CE3 3.73Å; F52-W124 AromaticContact CD2-CH2 3.74Å; F52-W124 HydrophobicContact CD2-CH2 3.74Å; F52-W124 HydrophobicContact CD2-CZ2 4.07Å; F52-W124 AromaticContact CD2-CZ3 3.57Å; F52-W124 HydrophobicContact CD2-CZ3 3.57Å; F52-W124 AromaticContact CE2-CD2 3.77Å; F52-W124 HydrophobicContact CE2-CD2 3.77Å; F52-W124 AromaticContact CE2-CE3 3.54Å; F52-W124 HydrophobicContact CE2-CE3 3.54Å; F52-W124 HydrophobicContact CE2-CG 4.31Å; F52-W124 HydrophobicContact CE2-CH2 4.4Å; F52-W124 AromaticContact CE2-CZ3 3.89Å; F52-W124 HydrophobicContact CE2-CZ3 3.89Å
53	R	98.7	Very high	98.7	Very high	118 Å²	118	58.4 Å²	58.4	45%	0.445	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-108.9	0.2	172.8	-65.9	-174.9	165.6	161.3	-1.9	113.5	H50 Y51 A122 E123 W124	H50-R53 HydrophobicContact CB-CB 4.23Å; H50-R53 HydrophobicContact CB-CG 4.08Å; H50-R53 PolarHBondContact ND1-NH1 3.35Å; H50-R53 WeakPolarHBondContact O-CB 3.49Å; H50-R53 PolarHBondContact O-N 2.94Å; Y51-R53 PolarHBondContact O-N 2.89Å; Y51-R53 VanDerWaalsContact O-N 3.12Å; R53-A122 PolarHBondContact NH1-O 3.24Å; R53-A122 PolarHBondContact NH2-O 2.89Å; R53-E123 PolarHBondContact NH2-O 3.16Å; R53-W124 HydrophobicContact CG-CZ3 4.46Å
54	V	98.6	Very high	98.7	Very high	25 Å²	25	52.6 Å²	52.6	15%	0.152	29%	0.291	C	S	.	.	S	Bend	trans	-128.8	130.1	-177.3	-179	0	0	0	0	109	L49 Y51 L58 W59 R62	L49-V54 HydrophobicContact CD1-CG2 4.01Å; Y51-V54 PolarHBondContact O-N 3.38Å; Y51-V54 VanDerWaalsContact O-N 3.07Å; V54-L58 HydrophobicContact CG1-CB 3.83Å; V54-W59 PolarHBondContact O-NE1 2.98Å; V54-R62 HydrophobicContact CG1-CG 3.91Å
55	P	98.3	Very high	98.7	Very high	72 Å²	72	53.5 Å²	53.5	47%	0.468	30%	0.297	S	S	.	.			trans	-58	140.8	174.5	-26.2	35.4	0	0	0	112.2	V57 L58	P55-V57 VanDerWaalsContact C-N 3.26Å; P55-V57 HydrophobicContact CB-CG1 4.31Å; P55-V57 PolarHBondContact O-N 3.46Å; P55-V57 VanDerWaalsContact O-N 3.14Å; P55-L58 HydrophobicContact CB-CD1 4.35Å; P55-L58 HydrophobicContact CG-CD1 4.21Å; P55-L58 WeakPolarHBondContact O-CB 3.46Å; P55-L58 PolarHBondContact O-N 3.44Å
56	P	98.4	Very high	98.7	Very high	52 Å²	52	50.7 Å²	50.7	34%	0.338	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-53.7	-38.3	-175.4	-32.1	37.7	0	0	0	115.6	L58 W59 S95	P56-L58 PolarHBondContact O-N 3.16Å; P56-W59 HydrophobicContact CB-CD2 4.16Å; P56-W59 HydrophobicContact CB-CE3 4.06Å; P56-W59 HydrophobicContact CB-CH2 4Å; P56-W59 HydrophobicContact CB-CZ2 4.08Å; P56-W59 HydrophobicContact CB-CZ3 3.97Å; P56-W59 HydrophobicContact CG-CH2 3.8Å; P56-W59 HydrophobicContact CG-CZ2 3.7Å; P56-W59 HydrophobicContact CG-CZ3 4.29Å; P56-W59 PolarHBondContact O-N 2.84Å; P56-S95 VanDerWaalsContact CG-CA 3.49Å
57	V	98.4	Very high	98.7	Very high	129 Å²	129	52.2 Å²	52.2	78%	0.782	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-59.2	-15.8	178	68.3	0	0	0	0	113.3	P55	P55-V57 VanDerWaalsContact C-N 3.26Å; P55-V57 HydrophobicContact CB-CG1 4.31Å; P55-V57 PolarHBondContact O-N 3.46Å; P55-V57 VanDerWaalsContact O-N 3.14Å
58	L	98.8	Very high	98.7	Very high	55 Å²	55	57.2 Å²	57.2	29%	0.288	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-107.1	-6.6	-179.2	-62.7	170.5	0	0	0	113.8	V54 P55 P56 A60 D61 R62	V54-L58 HydrophobicContact CG1-CB 3.83Å; P55-L58 HydrophobicContact CB-CD1 4.35Å; P55-L58 HydrophobicContact CG-CD1 4.21Å; P55-L58 WeakPolarHBondContact O-CB 3.46Å; P55-L58 PolarHBondContact O-N 3.44Å; P56-L58 PolarHBondContact O-N 3.16Å; L58-A60 PolarHBondContact O-N 3.02Å; L58-D61 PolarHBondContact O-N 3.48Å; L58-R62 WeakPolarHBondContact O-CG 3.16Å; L58-R62 PolarHBondContact O-N 3.35Å
59	W	98.8	Very high	98.7	Very high	7 Å²	7	57.9 Å²	57.9	3%	0.027	31%	0.307	C	S	.	.	H	α-helix	trans	-58.5	-50	-176.3	-68.9	-18.3	0	0	0	112.5	Y51 V54 P56 D61 R62 L63 D97 A100 F101 E104	Y51-W59 HydrophobicContact CD2-CZ2 4.12Å; Y51-W59 PolarHBondContact O-NE1 2.87Å; V54-W59 PolarHBondContact O-NE1 2.98Å; P56-W59 HydrophobicContact CB-CD2 4.16Å; P56-W59 HydrophobicContact CB-CE3 4.06Å; P56-W59 HydrophobicContact CB-CH2 4Å; P56-W59 HydrophobicContact CB-CZ2 4.08Å; P56-W59 HydrophobicContact CB-CZ3 3.97Å; P56-W59 HydrophobicContact CG-CH2 3.8Å; P56-W59 HydrophobicContact CG-CZ2 3.7Å; P56-W59 HydrophobicContact CG-CZ3 4.29Å; P56-W59 PolarHBondContact O-N 2.84Å; W59-D61 VanDerWaalsContact C-N 3.32Å; W59-D61 PolarHBondContact O-N 2.66Å; W59-R62 PolarHBondContact O-N 2.93Å; W59-R62 VanDerWaalsContact O-N 3.16Å; W59-L63 WeakPolarHBondContact O-CB 3.49Å; W59-L63 WeakPolarHBondContact O-CG 3.26Å; W59-L63 PolarHBondContact O-N 3.04Å; W59-D97 HydrophobicContact CH2-CB 4.44Å; W59-D97 WeakPolarHBondContact CH2-O 3.39Å; W59-D97 WeakPolarHBondContact CZ3-O 3.38Å; W59-A100 HydrophobicContact CZ3-CB 4.01Å; W59-F101 HydrophobicContact CB-CD2 3.94Å; W59-F101 HydrophobicContact CB-CE2 4.2Å; W59-F101 HydrophobicContact CD2-CB 4.39Å; W59-F101 AromaticContact CD2-CD2 3.67Å; W59-F101 HydrophobicContact CD2-CD2 3.67Å; W59-F101 HydrophobicContact CD2-CE2 4.49Å; W59-F101 HydrophobicContact CD2-CG 4.49Å; W59-F101 HydrophobicContact CE3-CB 4.07Å; W59-F101 HydrophobicContact CE3-CD2 4.1Å; W59-F101 AromaticContact CG-CD2 3.62Å; W59-F101 HydrophobicContact CG-CD2 3.62Å; W59-F101 HydrophobicContact CG-CE2 4.03Å; W59-F101 HydrophobicContact CZ3-CB 4.15Å; W59-E104 HydrophobicContact CB-CG 4.45Å
60	A	98.7	Very high	98.7	Very high	44 Å²	44	59.5 Å²	59.5	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-57.3	-44.1	178.7	0	0	0	0	0	112.1	L58 R62 L64 E104	L58-A60 PolarHBondContact O-N 3.02Å; A60-R62 PolarHBondContact O-N 2.8Å; A60-L64 VanDerWaalsContact O-CB 3.28Å; A60-L64 WeakPolarHBondContact O-CB 3.29Å; A60-L64 PolarHBondContact O-N 3.42Å; A60-E104 WeakPolarHBondContact CB-OE2 3.4Å
61	D	98.8	Very high	98.7	Very high	57 Å²	57	59.7 Å²	59.7	31%	0.305	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-43.7	177.2	170.6	89.5	0	0	0	111.9	L58 W59 K65	L58-D61 PolarHBondContact O-N 3.48Å; W59-D61 VanDerWaalsContact C-N 3.32Å; W59-D61 PolarHBondContact O-N 2.66Å; D61-K65 WeakPolarHBondContact O-CG 3.45Å; D61-K65 PolarHBondContact O-N 3.07Å; D61-K65 VanDerWaalsContact O-N 3.09Å; D61-K65 WeakPolarHBondContact OD1-CE 3.45Å; D61-K65 IonicContact OD1-NZ 3.26Å; D61-K65 PolarHBondContact OD1-NZ 3.5Å; D61-K65 IonicContact OD2-NZ 2.89Å; D61-K65 PolarHBondContact OD2-NZ 3.31Å
62	R	98.9	Very high	98.7	Very high	86 Å²	86	62.3 Å²	62.3	33%	0.325	35%	0.346	S	S	.	.	H	α-helix	trans	-68.6	-43.5	-177.2	-56.4	-23.3	-179.7	-173.4	0.7	110.8	L49 V54 L58 W59 A60 K65 M66	L49-R62 HydrophobicContact CD1-CB 4.16Å; L49-R62 HydrophobicContact CD2-CB 3.68Å; V54-R62 HydrophobicContact CG1-CG 3.91Å; L58-R62 WeakPolarHBondContact O-CG 3.16Å; L58-R62 PolarHBondContact O-N 3.35Å; W59-R62 PolarHBondContact O-N 2.93Å; W59-R62 VanDerWaalsContact O-N 3.16Å; A60-R62 PolarHBondContact O-N 2.8Å; R62-K65 PolarHBondContact O-N 2.96Å; R62-M66 WeakPolarHBondContact O-CG 3.14Å; R62-M66 PolarHBondContact O-N 3.41Å
63	L	98.9	Very high	98.7	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-66.6	-40.6	178.8	-71.1	165.1	0	0	0	111.9	L49 W59 K65 M66 Q67 V74 F101 E104 A105 V108 L110	L49-L63 HydrophobicContact CD2-CD2 3.81Å; L49-L63 HydrophobicContact CD2-CG 3.9Å; W59-L63 WeakPolarHBondContact O-CB 3.49Å; W59-L63 WeakPolarHBondContact O-CG 3.26Å; W59-L63 PolarHBondContact O-N 3.04Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 3.25Å; L63-M66 WeakPolarHBondContact O-CB 3.3Å; L63-M66 PolarHBondContact O-N 3.41Å; L63-Q67 PolarHBondContact O-N 3.23Å; L63-V74 HydrophobicContact CD2-CB 4.24Å; L63-V74 HydrophobicContact CD2-CG1 4.12Å; L63-V74 HydrophobicContact CD2-CG2 4.05Å; L63-F101 HydrophobicContact CD1-CD2 4.2Å; L63-F101 HydrophobicContact CD1-CE2 3.8Å; L63-F101 HydrophobicContact CD1-CZ 4.3Å; L63-F101 HydrophobicContact CD2-CE2 4.35Å; L63-F101 HydrophobicContact CD2-CZ 4.11Å; L63-F101 HydrophobicContact CG-CE2 4.21Å; L63-F101 HydrophobicContact CG-CZ 4.46Å; L63-E104 HydrophobicContact CD1-CB 3.59Å; L63-A105 HydrophobicContact CD1-CB 4.2Å; L63-A105 HydrophobicContact CD2-CB 4.22Å; L63-V108 HydrophobicContact CB-CG2 3.97Å; L63-L110 HydrophobicContact CB-CD1 4.28Å; L63-L110 HydrophobicContact CD2-CD1 3.93Å
64	L	98.8	Very high	98.7	Very high	81 Å²	81	55.9 Å²	55.9	42%	0.424	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-44.4	174.3	179.6	60.6	0	0	0	111.3	A60 M66 Q67 L68 V108	A60-L64 VanDerWaalsContact O-CB 3.28Å; A60-L64 WeakPolarHBondContact O-CB 3.29Å; A60-L64 PolarHBondContact O-N 3.42Å; L64-M66 VanDerWaalsContact C-N 3.32Å; L64-M66 PolarHBondContact O-N 2.87Å; L64-Q67 PolarHBondContact O-N 2.97Å; L64-L68 HydrophobicContact CD1-CD1 4.16Å; L64-L68 HydrophobicContact CD1-CG 4.15Å; L64-L68 HydrophobicContact CG-CD1 3.94Å; L64-L68 HydrophobicContact CG-CG 4.35Å; L64-L68 WeakPolarHBondContact O-CB 3.23Å; L64-L68 VanDerWaalsContact O-CG 3.3Å; L64-L68 WeakPolarHBondContact O-CG 3.35Å; L64-L68 PolarHBondContact O-N 3.22Å; L64-V108 HydrophobicContact CB-CG1 4.25Å; L64-V108 HydrophobicContact CD1-CG1 4.19Å
65	K	98.9	Very high	98.7	Very high	111 Å²	111	56.5 Å²	56.5	48%	0.483	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-38.8	176.5	-76.4	166.8	176.7	157.5	0	112.7	D61 R62 L63 L68 S69	D61-K65 WeakPolarHBondContact O-CG 3.45Å; D61-K65 PolarHBondContact O-N 3.07Å; D61-K65 VanDerWaalsContact O-N 3.09Å; D61-K65 WeakPolarHBondContact OD1-CE 3.45Å; D61-K65 IonicContact OD1-NZ 3.26Å; D61-K65 PolarHBondContact OD1-NZ 3.5Å; D61-K65 IonicContact OD2-NZ 2.89Å; D61-K65 PolarHBondContact OD2-NZ 3.31Å; R62-K65 PolarHBondContact O-N 2.96Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 3.25Å; K65-L68 PolarHBondContact O-N 3.01Å; K65-S69 PolarHBondContact O-N 2.88Å
66	M	98.8	Very high	98.7	Very high	25 Å²	25	53 Å²	53	12%	0.123	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-43.7	174.4	-73	178.7	72.9	0	0	112.1	G47 L49 R62 L63 L64 S69 L71 V74 L110	G47-M66 VanDerWaalsContact O-CE 3.26Å; G47-M66 WeakPolarHBondContact O-CE 3.36Å; L49-M66 HydrophobicContact CB-CE 4.29Å; L49-M66 HydrophobicContact CB-SD 3.69Å; L49-M66 HydrophobicContact CD2-SD 3.82Å; L49-M66 HydrophobicContact CG-SD 4.26Å; R62-M66 WeakPolarHBondContact O-CG 3.14Å; R62-M66 PolarHBondContact O-N 3.41Å; L63-M66 WeakPolarHBondContact O-CB 3.3Å; L63-M66 PolarHBondContact O-N 3.41Å; L64-M66 VanDerWaalsContact C-N 3.32Å; L64-M66 PolarHBondContact O-N 2.87Å; M66-S69 PolarHBondContact O-N 2.85Å; M66-S69 PolarHBondContact O-OG 2.72Å; M66-L71 HydrophobicContact CB-CD1 3.94Å; M66-L71 HydrophobicContact CE-CD1 3.7Å; M66-L71 HydrophobicContact CG-CD1 4.24Å; M66-L71 VanDerWaalsContact O-CB 3.29Å; M66-L71 WeakPolarHBondContact O-CB 3.33Å; M66-L71 WeakPolarHBondContact O-CG 3.43Å; M66-L71 PolarHBondContact O-N 2.91Å; M66-V74 HydrophobicContact CE-CB 4.19Å; M66-V74 HydrophobicContact CE-CG2 3.78Å; M66-V74 HydrophobicContact SD-CG2 4.26Å; M66-L110 HydrophobicContact CB-CD1 4.35Å
67	Q	98.7	Very high	98.8	Very high	71 Å²	71	51.7 Å²	51.7	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-44.7	175.3	-177.4	-87.7	-5	0	0	111.4	L63 L64 S69 G70 V108 L110	L63-Q67 PolarHBondContact O-N 3.23Å; L64-Q67 PolarHBondContact O-N 2.97Å; Q67-S69 PolarHBondContact O-N 2.92Å; Q67-G70 WeakPolarHBondContact O-CA 3.49Å; Q67-G70 PolarHBondContact O-N 2.84Å; Q67-V108 HydrophobicContact CB-CB 4.44Å; Q67-V108 WeakPolarHBondContact CG-O 3.36Å; Q67-L110 HydrophobicContact CB-CD1 4.39Å; Q67-L110 HydrophobicContact CB-CD2 4.21Å; Q67-L110 HydrophobicContact CB-CG 4.24Å
68	L	98.6	Very high	98.8	Very high	126 Å²	126	45.6 Å²	45.6	66%	0.66	25%	0.251	S	S	*	.	H	α-helix	trans	-66.3	-22.5	179.1	-70.2	174.5	0	0	0	112.9	L64 K65 G70	L64-L68 HydrophobicContact CD1-CD1 4.16Å; L64-L68 HydrophobicContact CD1-CG 4.15Å; L64-L68 HydrophobicContact CG-CD1 3.94Å; L64-L68 HydrophobicContact CG-CG 4.35Å; L64-L68 WeakPolarHBondContact O-CB 3.23Å; L64-L68 VanDerWaalsContact O-CG 3.3Å; L64-L68 WeakPolarHBondContact O-CG 3.35Å; L64-L68 PolarHBondContact O-N 3.22Å; K65-L68 PolarHBondContact O-N 3.01Å; L68-G70 PolarHBondContact O-N 3Å
69	S	98.4	Very high	98.8	Very high	87 Å²	87	43 Å²	43	61%	0.608	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	4.4	171	77.2	0	0	0	0	113.5	K65 M66 Q67	K65-S69 PolarHBondContact O-N 2.88Å; M66-S69 PolarHBondContact O-N 2.85Å; M66-S69 PolarHBondContact O-OG 2.72Å; Q67-S69 PolarHBondContact O-N 2.92Å
70	G	98.4	Very high	98.8	Very high	59 Å²	59	42.6 Å²	42.6	61%	0.608	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.5	8.6	175.6	0	0	0	0	0	115	Q67 L68	Q67-G70 WeakPolarHBondContact O-CA 3.49Å; Q67-G70 PolarHBondContact O-N 2.84Å; L68-G70 PolarHBondContact O-N 3Å
71	L	98.9	Very high	98.8	Very high	32 Å²	32	41.8 Å²	41.8	17%	0.168	23%	0.225	C	C	.	.			trans	-74.5	139.6	173.9	-55.1	178.2	0	0	0	109.9	V45 M66 L110	V45-L71 HydrophobicContact CG1-CD2 3.82Å; V45-L71 WeakPolarHBondContact O-CA 3.49Å; M66-L71 HydrophobicContact CB-CD1 3.94Å; M66-L71 HydrophobicContact CE-CD1 3.7Å; M66-L71 HydrophobicContact CG-CD1 4.24Å; M66-L71 VanDerWaalsContact O-CB 3.29Å; M66-L71 WeakPolarHBondContact O-CB 3.33Å; M66-L71 WeakPolarHBondContact O-CG 3.43Å; M66-L71 PolarHBondContact O-N 2.91Å; L71-L110 HydrophobicContact CB-CD2 4.43Å; L71-L110 VanDerWaalsContact O-CD2 3.23Å; L71-L110 WeakPolarHBondContact O-CD2 3.44Å
72	N	98.7	Very high	98.8	Very high	55 Å²	55	40.4 Å²	40.4	29%	0.294	22%	0.216	S	C	.	.	S	Bend	trans	-108.9	-2.9	174.6	65.6	8.7	0	0	0	112.6	R43 Y44 V45 L111	R43-N72 PolarHBondContact O-ND2 2.8Å; Y44-N72 VanDerWaalsContact CA-OD1 3.23Å; Y44-N72 WeakPolarHBondContact CA-OD1 3.16Å; V45-N72 PolarHBondContact N-OD1 2.9Å; V45-N72 PolarHBondContact O-N 2.86Å; V45-N72 VanDerWaalsContact O-N 3.14Å; V45-N72 PolarHBondContact O-OD1 2.85Å; N72-L111 PolarHBondContact O-N 2.97Å
73	A	98.9	Very high	98.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151.4	175.4	0	0	0	0	0	111.9	V45 S46 L111	V45-A73 PolarHBondContact O-N 3.04Å; S46-A73 VanDerWaalsContact CA-O 3.23Å; S46-A73 WeakPolarHBondContact CA-O 3.24Å; S46-A73 WeakPolarHBondContact CB-O 3.42Å; S46-A73 PolarHBondContact OG-O 3.4Å; A73-L111 CarbonylContact C-O 3.57Å; A73-L111 WeakPolarHBondContact CA-O 3.19Å; A73-L111 HydrophobicContact CB-CB 4.17Å
74	V	98.9	Very high	98.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.1	167.7	60.6	0	0	0	0	109.7	L49 L63 M66 A105 L110 L111 V112 I113	L49-V74 HydrophobicContact CB-CG2 3.94Å; L63-V74 HydrophobicContact CD2-CB 4.24Å; L63-V74 HydrophobicContact CD2-CG1 4.12Å; L63-V74 HydrophobicContact CD2-CG2 4.05Å; M66-V74 HydrophobicContact CE-CB 4.19Å; M66-V74 HydrophobicContact CE-CG2 3.78Å; M66-V74 HydrophobicContact SD-CG2 4.26Å; V74-A105 HydrophobicContact CG1-CB 3.99Å; V74-L110 HydrophobicContact CB-CD1 4.36Å; V74-L110 HydrophobicContact CG1-CB 4.26Å; V74-L111 PolarHBondContact N-O 3.36Å; V74-V112 HydrophobicContact CG1-CG2 3.97Å; V74-V112 WeakPolarHBondContact O-CA 3.34Å; V74-I113 PolarHBondContact O-N 3.03Å
75	Q	98.9	Very high	98.7	Very high	37 Å²	37	35.3 Å²	35.3	17%	0.173	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.9	172.8	-174.9	178.6	-76.7	0	0	110.2	S46 G47 S48 L49 I113 R115	S46-Q75 PolarHBondContact OG-N 2.89Å; G47-Q75 PolarHBondContact O-N 3.25Å; S48-Q75 CarbonylContact C-O 3.58Å; S48-Q75 VanDerWaalsContact CA-O 3.22Å; S48-Q75 WeakPolarHBondContact CA-O 3.32Å; L49-Q75 PolarHBondContact N-O 3.28Å; Q75-I113 WeakPolarHBondContact CA-O 3.34Å; Q75-I113 HydrophobicContact CB-CB 4.04Å; Q75-I113 HydrophobicContact CB-CG2 4.49Å; Q75-I113 HydrophobicContact CG-CB 3.96Å; Q75-I113 HydrophobicContact CG-CG2 3.9Å; Q75-I113 WeakPolarHBondContact CG-O 3.34Å; Q75-R115 VanDerWaalsContact CD-CD 3.47Å; Q75-R115 HydrophobicContact CG-CG 4.09Å
76	F	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	158.1	174.4	64.1	-92.4	0	0	0	112.8	L49 Y51 V78 L98 F101 L102 V112 I113 L114 R115	L49-F76 WeakPolarHBondContact O-CB 3.49Å; Y51-F76 AromaticContact CD1-CD2 3.85Å; Y51-F76 HydrophobicContact CD1-CD2 3.85Å; Y51-F76 HydrophobicContact CD1-CE2 4.22Å; Y51-F76 AromaticContact CE1-CD2 3.83Å; Y51-F76 HydrophobicContact CE1-CD2 3.83Å; Y51-F76 HydrophobicContact CE1-CE2 4.05Å; F76-V78 HydrophobicContact CE2-CG2 4.29Å; F76-L98 HydrophobicContact CE2-CD1 3.47Å; F76-L98 VanDerWaalsContact CE2-CD1 3.47Å; F76-L98 HydrophobicContact CZ-CD1 3.91Å; F76-F101 HydrophobicContact CB-CE1 4.38Å; F76-F101 HydrophobicContact CD1-CD1 4.14Å; F76-F101 AromaticContact CD1-CE1 3.54Å; F76-F101 HydrophobicContact CD1-CE1 3.54Å; F76-F101 HydrophobicContact CD2-CD1 4.48Å; F76-F101 HydrophobicContact CD2-CE1 4.34Å; F76-F101 AromaticContact CE1-CD1 3.9Å; F76-F101 HydrophobicContact CE1-CD1 3.9Å; F76-F101 AromaticContact CE1-CE1 3.73Å; F76-F101 HydrophobicContact CE1-CE1 3.73Å; F76-F101 HydrophobicContact CE2-CD1 4.3Å; F76-F101 HydrophobicContact CG-CD1 4.4Å; F76-F101 AromaticContact CG-CE1 3.84Å; F76-F101 HydrophobicContact CG-CE1 3.84Å; F76-F101 AromaticContact CZ-CD1 3.99Å; F76-F101 HydrophobicContact CZ-CD1 3.99Å; F76-F101 HydrophobicContact CZ-CE1 4.23Å; F76-L102 HydrophobicContact CE1-CD2 4.11Å; F76-L102 HydrophobicContact CZ-CD2 3.68Å; F76-L102 HydrophobicContact CZ-CG 4.15Å; F76-V112 HydrophobicContact CD1-CG1 4.2Å; F76-V112 HydrophobicContact CE1-CB 4.48Å; F76-V112 HydrophobicContact CE1-CG1 3.43Å; F76-V112 VanDerWaalsContact CE1-CG1 3.43Å; F76-V112 HydrophobicContact CE1-CG2 4.2Å; F76-V112 HydrophobicContact CZ-CG1 3.99Å; F76-I113 PolarHBondContact N-O 3.49Å; F76-L114 HydrophobicContact CD2-CD1 4.01Å; F76-L114 HydrophobicContact CE1-CD1 4.37Å; F76-L114 HydrophobicContact CE2-CD1 3.28Å; F76-L114 HydrophobicContact CZ-CD1 3.51Å; F76-R115 PolarHBondContact O-N 2.97Å
77	Y	98.9	Very high	98.7	Very high	24 Å²	24	35.9 Å²	35.9	9%	0.094	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	156.6	174.8	-66.7	-72	0	0	0	112.8	H50 Y51 F52 R115 I120 A122 N181	H50-Y77 AromaticContact CE1-CD2 3.61Å; H50-Y77 AromaticContact CE1-CE2 3.93Å; H50-Y77 AromaticContact NE2-CD2 3.37Å; H50-Y77 WeakPolarHBondContact NE2-CD2 3.31Å; H50-Y77 AromaticContact NE2-CE2 3.77Å; Y51-Y77 WeakPolarHBondContact CE1-O 3.33Å; F52-Y77 WeakPolarHBondContact CE1-O 3.29Å; Y77-R115 VanDerWaalsContact CA-O 3.23Å; Y77-R115 WeakPolarHBondContact CA-O 3.37Å; Y77-R115 HydrophobicContact CD1-CB 3.29Å; Y77-R115 HydrophobicContact CD1-CG 4.3Å; Y77-R115 WeakPolarHBondContact CD1-O 3.35Å; Y77-R115 HydrophobicContact CE1-CB 3.63Å; Y77-R115 HydrophobicContact CE1-CG 4.26Å; Y77-R115 HydrophobicContact CG-CB 4.18Å; Y77-R115 VanDerWaalsContact CZ-CZ 3.43Å; Y77-R115 PolarHBondContact OH-NE 3.42Å; Y77-R115 PolarHBondContact OH-NH1 3.33Å; Y77-R115 PolarHBondContact OH-NH2 2.92Å; Y77-I120 HydrophobicContact CD1-CB 3.5Å; Y77-I120 VanDerWaalsContact CD1-CB 3.5Å; Y77-I120 HydrophobicContact CD1-CG2 3.61Å; Y77-I120 HydrophobicContact CE1-CB 3.93Å; Y77-I120 HydrophobicContact CE1-CG2 4.34Å; Y77-I120 HydrophobicContact CG-CB 3.87Å; Y77-I120 HydrophobicContact CG-CD1 4.13Å; Y77-I120 HydrophobicContact CG-CG2 4.15Å; Y77-A122 HydrophobicContact CD2-CB 3.7Å; Y77-A122 HydrophobicContact CE2-CB 3.66Å; Y77-A122 HydrophobicContact CG-CB 4.47Å; Y77-N181 PolarHBondContact OH-OD1 3.14Å
78	V	98.9	Very high	98.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.215	C	C	.	.			trans	-113.9	104.2	166.7	-174	0	0	0	0	108.3	F76 W80 L98 L114 R115 P116 W155 L159	F76-V78 HydrophobicContact CE2-CG2 4.29Å; V78-W80 PolarHBondContact O-N 3.09Å; V78-L98 HydrophobicContact CG1-CD2 4.34Å; V78-L98 HydrophobicContact CG2-CD1 4.22Å; V78-L98 HydrophobicContact CG2-CD2 4.17Å; V78-L114 HydrophobicContact CG2-CD1 3.77Å; V78-R115 PolarHBondContact N-O 3.25Å; V78-R115 VanDerWaalsContact N-O 3.12Å; V78-P116 HydrophobicContact CB-CB 4.48Å; V78-P116 HydrophobicContact CG2-CB 4.45Å; V78-W155 HydrophobicContact CG1-CZ2 4.03Å; V78-L159 HydrophobicContact CG1-CD1 4.07Å; V78-L159 HydrophobicContact CG1-CD2 4.24Å
79	P	98.8	Very high	98.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.209	C	C	.	.			trans	-76.8	117	-179.3	-4.9	20.6	0	0	0	109.9	F52 N81 Y82 H83 I120	F52-P79 HydrophobicContact CB-CG 4.4Å; F52-P79 HydrophobicContact CD1-CG 3.39Å; F52-P79 HydrophobicContact CD2-CG 3.83Å; F52-P79 HydrophobicContact CE1-CG 3.4Å; F52-P79 VanDerWaalsContact CE1-CG 3.4Å; F52-P79 HydrophobicContact CE2-CG 3.84Å; F52-P79 HydrophobicContact CG-CG 3.61Å; F52-P79 HydrophobicContact CZ-CG 3.63Å; P79-N81 PolarHBondContact O-N 2.93Å; P79-Y82 WeakPolarHBondContact O-CB 3.37Å; P79-Y82 PolarHBondContact O-N 3.03Å; P79-Y82 VanDerWaalsContact O-N 3.08Å; P79-H83 PolarHBondContact O-CD2 2.94Å; P79-H83 VanDerWaalsContact O-CD2 3.28Å; P79-H83 PolarHBondContact O-N 3.41Å; P79-I120 HydrophobicContact CB-CD1 3.78Å; P79-I120 HydrophobicContact CG-CD1 3.94Å
80	W	98.9	Very high	98.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.9	-47.8	-178.6	173.3	17.5	0	0	0	112	V78 Y82 H83 E84 P118 G128 L129 P130 W132 L133 A151 V152 W155	V78-W80 PolarHBondContact O-N 3.09Å; W80-Y82 PolarHBondContact O-N 2.95Å; W80-Y82 VanDerWaalsContact O-N 3.12Å; W80-H83 CarbonylContact O-C 3.51Å; W80-H83 PolarHBondContact O-N 3.32Å; W80-E84 PolarHBondContact NE1-OE2 2.94Å; W80-E84 PolarHBondContact O-N 2.78Å; W80-P118 HydrophobicContact CE3-CB 4.05Å; W80-P118 HydrophobicContact CZ3-CB 4.35Å; W80-G128 WeakPolarHBondContact CB-O 3.33Å; W80-G128 PolarHBondContact N-O 2.87Å; W80-L129 HydrophobicContact CE3-CD2 3.87Å; W80-L129 HydrophobicContact CZ3-CD2 4.07Å; W80-P130 HydrophobicContact CD2-CG 3.52Å; W80-P130 VanDerWaalsContact CE2-CG 3.5Å; W80-P130 VanDerWaalsContact CE3-CD 3.4Å; W80-P130 HydrophobicContact CE3-CG 4.13Å; W80-P130 HydrophobicContact CG-CG 3.69Å; W80-P130 HydrophobicContact CZ2-CG 4.12Å; W80-W132 HydrophobicContact CH2-CH2 4.16Å; W80-W132 AromaticContact CZ2-CH2 3.56Å; W80-W132 HydrophobicContact CZ2-CH2 3.56Å; W80-W132 AromaticContact CZ2-CZ2 3.68Å; W80-W132 HydrophobicContact CZ2-CZ2 3.68Å; W80-L133 HydrophobicContact CH2-CD1 4.08Å; W80-L133 HydrophobicContact CH2-CD2 4.07Å; W80-L133 HydrophobicContact CH2-CG 4.49Å; W80-L133 HydrophobicContact CZ3-CD1 3.88Å; W80-A151 HydrophobicContact CH2-CB 3.76Å; W80-A151 HydrophobicContact CZ2-CB 4.22Å; W80-A151 WeakPolarHBondContact CZ2-O 3.41Å; W80-V152 HydrophobicContact CH2-CG2 4.15Å; W80-V152 HydrophobicContact CZ3-CG2 3.84Å; W80-W155 HydrophobicContact CB-CD2 4.36Å; W80-W155 HydrophobicContact CB-CG 4.46Å; W80-W155 HydrophobicContact CB-CZ2 4.36Å; W80-W155 AromaticContact CD1-CD1 3.96Å; W80-W155 AromaticContact CD1-CD2 3.32Å; W80-W155 AromaticContact CD1-CE2 3.75Å; W80-W155 AromaticContact CD1-CE3 3.63Å; W80-W155 AromaticContact CD1-CG 3.5Å; W80-W155 VanDerWaalsContact CD1-CG 3.5Å; W80-W155 HydrophobicContact CD2-CB 4.08Å; W80-W155 AromaticContact CD2-CD1 3.83Å; W80-W155 HydrophobicContact CD2-CD2 4.43Å; W80-W155 AromaticContact CD2-CG 3.84Å; W80-W155 HydrophobicContact CD2-CG 3.84Å; W80-W155 AromaticContact CE2-CG 3.74Å; W80-W155 HydrophobicContact CG-CB 4.39Å; W80-W155 AromaticContact CG-CD1 3.72Å; W80-W155 AromaticContact CG-CD2 3.83Å; W80-W155 HydrophobicContact CG-CD2 3.83Å; W80-W155 AromaticContact CG-CE2 3.9Å; W80-W155 AromaticContact CG-CG 3.72Å; W80-W155 HydrophobicContact CG-CG 3.72Å; W80-W155 AromaticContact CG-NE1 3.81Å; W80-W155 HydrophobicContact CH2-CB 4.48Å; W80-W155 HydrophobicContact CZ2-CB 3.75Å; W80-W155 HydrophobicContact CZ2-CG 4.42Å; W80-W155 AromaticContact NE1-CD2 3.73Å; W80-W155 AromaticContact NE1-CE3 3.96Å; W80-W155 AromaticContact NE1-CG 3.54Å
81	N	98.8	Very high	98.6	Very high	26 Å²	26	32.7 Å²	32.7	14%	0.139	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-24.6	177	64.9	9.6	0	0	0	114.6	P79 H83 W124 E125 G128 L129 P130	P79-N81 PolarHBondContact O-N 2.93Å; N81-H83 VanDerWaalsContact C-N 3.3Å; N81-W124 PolarHBondContact OD1-NE1 3.49Å; N81-E125 PolarHBondContact ND2-O 3.37Å; N81-G128 PolarHBondContact N-O 3.24Å; N81-L129 PolarHBondContact ND2-O 3.41Å; N81-L129 VanDerWaalsContact ND2-O 3.16Å; N81-P130 HydrophobicContact CB-CB 4.19Å; N81-P130 HydrophobicContact CB-CG 4.18Å
82	Y	98.7	Very high	98.6	Very high	28 Å²	28	32.2 Å²	32.2	11%	0.11	18%	0.175	C	C	.	.	H	α-helix	trans	-77.2	-21	175.4	-170.2	-113.6	0	0	0	111.5	Y51 F52 P79 W80 S95 R96 W124	Y51-Y82 HydrophobicContact CE2-CD1 4.5Å; Y51-Y82 HydrophobicContact CE2-CE1 4.28Å; F52-Y82 HydrophobicContact CB-CD1 3.79Å; F52-Y82 HydrophobicContact CB-CE1 3.55Å; F52-Y82 HydrophobicContact CB-CE2 4.46Å; F52-Y82 HydrophobicContact CB-CG 4.31Å; P79-Y82 WeakPolarHBondContact O-CB 3.37Å; P79-Y82 PolarHBondContact O-N 3.03Å; P79-Y82 VanDerWaalsContact O-N 3.08Å; W80-Y82 PolarHBondContact O-N 2.95Å; W80-Y82 VanDerWaalsContact O-N 3.12Å; Y82-S95 WeakPolarHBondContact OH-CB 3.32Å; Y82-S95 PolarHBondContact OH-O 2.66Å; Y82-S95 PolarHBondContact OH-OG 2.84Å; Y82-R96 HydrophobicContact CD1-CB 4.4Å; Y82-R96 HydrophobicContact CD1-CG 4.13Å; Y82-R96 HydrophobicContact CE1-CB 3.92Å; Y82-R96 HydrophobicContact CE1-CG 3.52Å; Y82-R96 HydrophobicContact CE2-CG 4.36Å; Y82-R96 WeakPolarHBondContact O-CD 3.37Å; Y82-R96 PolarHBondContact O-NE 3.36Å; Y82-R96 PolarHBondContact O-NH1 2.98Å; Y82-W124 HydrophobicContact CD2-CH2 4.42Å; Y82-W124 AromaticContact CD2-CZ2 3.9Å; Y82-W124 HydrophobicContact CD2-CZ2 3.9Å; Y82-W124 HydrophobicContact CG-CZ2 4.37Å
83	H	98.8	Very high	98.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-104.7	-25.5	177.7	-69.8	-66.2	0	0	0	113.8	Y51 P79 W80 N81 P85 Y90 N91 F92 R96 W155	Y51-H83 AromaticContact CE2-NE2 3.95Å; Y51-H83 AromaticContact CZ-NE2 3.67Å; Y51-H83 PolarHBondContact OH-NE2 2.67Å; P79-H83 PolarHBondContact O-CD2 2.94Å; P79-H83 VanDerWaalsContact O-CD2 3.28Å; P79-H83 PolarHBondContact O-N 3.41Å; W80-H83 CarbonylContact O-C 3.51Å; W80-H83 PolarHBondContact O-N 3.32Å; N81-H83 VanDerWaalsContact C-N 3.3Å; H83-P85 WeakPolarHBondContact O-CD 3.48Å; H83-Y90 CarbonylContact O-C 3.55Å; H83-Y90 VanDerWaalsContact O-CA 3.25Å; H83-Y90 WeakPolarHBondContact O-CA 3.42Å; H83-N91 PolarHBondContact ND1-O 3.2Å; H83-N91 PolarHBondContact O-N 2.75Å; H83-F92 HydrophobicContact CB-CE1 4.29Å; H83-F92 HydrophobicContact CB-CE2 4.36Å; H83-F92 HydrophobicContact CB-CZ 4Å; H83-F92 AromaticContact CE1-CD1 3.88Å; H83-F92 AromaticContact CE1-CE1 3.98Å; H83-F92 AromaticContact CG-CE1 3.78Å; H83-F92 AromaticContact ND1-CD1 3.51Å; H83-F92 AromaticContact ND1-CE1 3.53Å; H83-R96 PolarHBondContact CE1-O 3.02Å; H83-W155 HydrophobicContact CB-CH2 3.43Å; H83-W155 VanDerWaalsContact CB-CH2 3.43Å; H83-W155 HydrophobicContact CB-CZ2 4.41Å; H83-W155 HydrophobicContact CB-CZ3 3.78Å; H83-W155 AromaticContact CG-CH2 3.98Å
84	E	98.8	Very high	98.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	22%	0.219	C	C	.	.			trans	-126	74.7	179.2	-169.1	176	-175.2	0	0	110.7	W80 E86 P87 G88 I89 Y90 W132	W80-E84 PolarHBondContact NE1-OE2 2.94Å; W80-E84 PolarHBondContact O-N 2.78Å; E84-E86 WeakPolarHBondContact CG-O 3.38Å; E84-E86 PolarHBondContact O-N 2.9Å; E84-P87 WeakPolarHBondContact OE1-CA 3.49Å; E84-G88 PolarHBondContact OE1-N 2.97Å; E84-I89 WeakPolarHBondContact CA-O 2.9Å; E84-Y90 HydrophobicContact CB-CD1 3.94Å; E84-Y90 HydrophobicContact CB-CE1 4.01Å; E84-Y90 HydrophobicContact CG-CD1 3.96Å; E84-Y90 HydrophobicContact CG-CE1 3.73Å; E84-Y90 PolarHBondContact OE1-OH 3.17Å; E84-Y90 VanDerWaalsContact OE2-CE1 3.28Å; E84-Y90 WeakPolarHBondContact OE2-CE1 3.45Å; E84-W132 HydrophobicContact CG-CZ2 4.26Å; E84-W132 PolarHBondContact O-NE1 2.91Å; E84-W132 VanDerWaalsContact O-NE1 3.13Å
85	P	98.1	Very high	98.4	Very high	58 Å²	58	40.6 Å²	40.6	38%	0.377	24%	0.236	S	C	.	.	S	Bend	trans	-60.6	-29.4	179.7	23.8	-36.1	0	0	0	113.5	H83 I89	H83-P85 WeakPolarHBondContact O-CD 3.48Å; P85-I89 VanDerWaalsContact CD-O 3.3Å; P85-I89 WeakPolarHBondContact CD-O 3.2Å
86	E	98.2	Very high	98.4	Very high	84 Å²	84	41.6 Å²	41.6	39%	0.393	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-135	150.6	174.7	-76.8	-64.2	155.3	0	0	109.2	E84 G88 I89 R135	E84-E86 WeakPolarHBondContact CG-O 3.38Å; E84-E86 PolarHBondContact O-N 2.9Å; E86-G88 PolarHBondContact O-N 3.25Å; E86-I89 HydrophobicContact CB-CB 4.05Å; E86-I89 HydrophobicContact CB-CG1 3.91Å; E86-I89 PolarHBondContact O-N 2.95Å; E86-R135 IonicContact OE1-NH2 3.52Å; E86-R135 PolarHBondContact OE1-NH2 2.9Å; E86-R135 IonicContact OE2-CZ 2.72Å; E86-R135 VanDerWaalsContact OE2-CZ 3.26Å; E86-R135 IonicContact OE2-NH1 2.92Å; E86-R135 PolarHBondContact OE2-NH1 3.48Å; E86-R135 IonicContact OE2-NH2 3.59Å; E86-R135 PolarHBondContact OE2-NH2 3.42Å
87	P	97.9	Very high	98.3	Very high	64 Å²	64	44 Å²	44	42%	0.416	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	124.1	-179.1	-21.5	30.1	0	0	0	111.8	E84 I89 W132	E84-P87 WeakPolarHBondContact OE1-CA 3.49Å; P87-I89 PolarHBondContact O-N 3.32Å; P87-W132 HydrophobicContact CB-CD2 4.46Å; P87-W132 HydrophobicContact CG-CB 4.24Å; P87-W132 HydrophobicContact CG-CD2 3.58Å; P87-W132 HydrophobicContact CG-CE3 3.77Å; P87-W132 HydrophobicContact CG-CG 3.8Å; P87-W132 HydrophobicContact CG-CZ3 4.31Å
88	G	98.1	Very high	98.3	Very high	45 Å²	45	42.9 Å²	42.9	46%	0.464	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-1.9	-179.1	0	0	0	0	0	115.5	E84 E86 Y90	E84-G88 PolarHBondContact OE1-N 2.97Å; E86-G88 PolarHBondContact O-N 3.25Å; G88-Y90 WeakPolarHBondContact O-CD2 3.35Å; G88-Y90 WeakPolarHBondContact O-CE2 3.42Å
89	I	98.4	Very high	98.3	Very high	104 Å²	104	45.1 Å²	45.1	53%	0.533	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-102.9	99.6	179.2	-53.8	-59.2	0	0	0	109.3	E84 P85 E86 P87	E84-I89 WeakPolarHBondContact CA-O 2.9Å; P85-I89 VanDerWaalsContact CD-O 3.3Å; P85-I89 WeakPolarHBondContact CD-O 3.2Å; E86-I89 HydrophobicContact CB-CB 4.05Å; E86-I89 HydrophobicContact CB-CG1 3.91Å; E86-I89 PolarHBondContact O-N 2.95Å; P87-I89 PolarHBondContact O-N 3.32Å
90	Y	98.4	Very high	98.3	Very high	72 Å²	72	46.4 Å²	46.4	28%	0.282	27%	0.269	S	S	.	.			trans	-100.8	139.8	-175.4	-53.9	-80.3	0	0	0	112.9	H83 E84 G88 S154 W155 V158	H83-Y90 CarbonylContact O-C 3.55Å; H83-Y90 VanDerWaalsContact O-CA 3.25Å; H83-Y90 WeakPolarHBondContact O-CA 3.42Å; E84-Y90 HydrophobicContact CB-CD1 3.94Å; E84-Y90 HydrophobicContact CB-CE1 4.01Å; E84-Y90 HydrophobicContact CG-CD1 3.96Å; E84-Y90 HydrophobicContact CG-CE1 3.73Å; E84-Y90 PolarHBondContact OE1-OH 3.17Å; E84-Y90 VanDerWaalsContact OE2-CE1 3.28Å; E84-Y90 WeakPolarHBondContact OE2-CE1 3.45Å; G88-Y90 WeakPolarHBondContact O-CD2 3.35Å; G88-Y90 WeakPolarHBondContact O-CE2 3.42Å; Y90-S154 PolarHBondContact OH-OG 3.07Å; Y90-W155 HydrophobicContact CD1-CE3 4.27Å; Y90-W155 HydrophobicContact CD1-CZ3 4.13Å; Y90-W155 AromaticContact CE1-CE3 4Å; Y90-W155 HydrophobicContact CE1-CE3 4Å; Y90-W155 HydrophobicContact CE1-CZ3 4.32Å; Y90-V158 HydrophobicContact CD1-CB 4.34Å; Y90-V158 HydrophobicContact CD1-CG1 3.91Å; Y90-V158 HydrophobicContact CD1-CG2 4.43Å; Y90-V158 HydrophobicContact CD2-CG1 4.29Å; Y90-V158 HydrophobicContact CD2-CG2 4.22Å; Y90-V158 HydrophobicContact CE1-CB 4.03Å; Y90-V158 HydrophobicContact CE1-CG1 4.12Å; Y90-V158 HydrophobicContact CE1-CG2 3.87Å; Y90-V158 HydrophobicContact CE2-CG2 3.67Å; Y90-V158 HydrophobicContact CG-CG1 3.98Å; Y90-V158 VanDerWaalsContact CZ-CG2 3.46Å
91	N	98.2	Very high	98.3	Very high	55 Å²	55	46.4 Å²	46.4	29%	0.294	27%	0.269	S	S	.	.			trans	-131.9	116.1	175.3	-170.8	-5.5	0	0	0	111.8	H83 N93 R96	H83-N91 PolarHBondContact ND1-O 3.2Å; H83-N91 PolarHBondContact O-N 2.75Å; N91-N93 WeakPolarHBondContact OD1-CB 3.33Å; N91-N93 PolarHBondContact OD1-N 3.38Å; N91-R96 WeakPolarHBondContact O-CB 3.46Å
92	F	98.3	Very high	98.3	Very high	23 Å²	23	45.2 Å²	45.2	10%	0.101	26%	0.263	C	S	.	.			trans	-122.4	24.6	175.2	-69.8	-90.5	0	0	0	112	H83 R96 D97 L98 W155 V158 L159 K162	H83-F92 HydrophobicContact CB-CE1 4.29Å; H83-F92 HydrophobicContact CB-CE2 4.36Å; H83-F92 HydrophobicContact CB-CZ 4Å; H83-F92 AromaticContact CE1-CD1 3.88Å; H83-F92 AromaticContact CE1-CE1 3.98Å; H83-F92 AromaticContact CG-CE1 3.78Å; H83-F92 AromaticContact ND1-CD1 3.51Å; H83-F92 AromaticContact ND1-CE1 3.53Å; F92-R96 CarbonylContact C-O 3.54Å; F92-R96 WeakPolarHBondContact CA-O 3.49Å; F92-D97 VanDerWaalsContact O-CA 3.25Å; F92-D97 WeakPolarHBondContact O-CA 3.15Å; F92-D97 WeakPolarHBondContact O-CB 3.22Å; F92-L98 HydrophobicContact CD1-CB 4.28Å; F92-L98 HydrophobicContact CE1-CD2 4.43Å; F92-W155 HydrophobicContact CE1-CH2 4.41Å; F92-W155 HydrophobicContact CE2-CZ3 4.41Å; F92-W155 AromaticContact CZ-CH2 3.74Å; F92-W155 HydrophobicContact CZ-CH2 3.74Å; F92-W155 AromaticContact CZ-CZ3 3.89Å; F92-W155 HydrophobicContact CZ-CZ3 3.89Å; F92-V158 HydrophobicContact CE2-CG1 4.13Å; F92-L159 HydrophobicContact CE1-CD1 4.31Å; F92-L159 HydrophobicContact CZ-CD1 4.43Å; F92-K162 HydrophobicContact CD1-CD 4.25Å; F92-K162 HydrophobicContact CD2-CD 4.13Å; F92-K162 HydrophobicContact CE1-CD 4Å; F92-K162 HydrophobicContact CE2-CD 3.88Å; F92-K162 VanDerWaalsContact CE2-CE 3.5Å; F92-K162 HydrophobicContact CG-CD 4.3Å; F92-K162 HydrophobicContact CZ-CD 3.79Å
93	N	97	Very high	98.3	Very high	125 Å²	125	47 Å²	47	67%	0.668	28%	0.275	S	S	*	.	S	Bend	trans	-101.6	156.3	-178.1	-62.8	-42.4	0	0	0	111.7	N91 S95 R96	N91-N93 WeakPolarHBondContact OD1-CB 3.33Å; N91-N93 PolarHBondContact OD1-N 3.38Å; N93-S95 PolarHBondContact O-N 3.17Å; N93-R96 WeakPolarHBondContact O-CB 3.48Å; N93-R96 PolarHBondContact O-N 3.43Å
94	G	97.1	Very high	98.3	Very high	53 Å²	53	49.1 Å²	49.1	55%	0.546	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	59.8	-122	173.2	0	0	0	0	0	112.2	R96 D97	G94-R96 PolarHBondContact O-N 3.37Å; G94-R96 VanDerWaalsContact O-N 3.14Å; G94-D97 WeakPolarHBondContact O-CB 3.4Å; G94-D97 PolarHBondContact O-N 3.27Å; G94-D97 VanDerWaalsContact O-N 3.15Å
95	S	97.7	Very high	98.3	Very high	52 Å²	52	49 Å²	49	36%	0.364	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-66.3	-10.1	176.9	52.5	0	0	0	0	115.1	P56 Y82 N93	P56-S95 VanDerWaalsContact CG-CA 3.49Å; Y82-S95 WeakPolarHBondContact OH-CB 3.32Å; Y82-S95 PolarHBondContact OH-O 2.66Å; Y82-S95 PolarHBondContact OH-OG 2.84Å; N93-S95 PolarHBondContact O-N 3.17Å
96	R	98.5	Very high	98.3	Very high	59 Å²	59	48.2 Å²	48.2	22%	0.223	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-99.7	8.3	177.3	-43.2	-167	168.6	-162.1	1.7	112.6	Y82 H83 N91 F92 N93 G94 L98	Y82-R96 HydrophobicContact CD1-CB 4.4Å; Y82-R96 HydrophobicContact CD1-CG 4.13Å; Y82-R96 HydrophobicContact CE1-CB 3.92Å; Y82-R96 HydrophobicContact CE1-CG 3.52Å; Y82-R96 HydrophobicContact CE2-CG 4.36Å; Y82-R96 WeakPolarHBondContact O-CD 3.37Å; Y82-R96 PolarHBondContact O-NE 3.36Å; Y82-R96 PolarHBondContact O-NH1 2.98Å; H83-R96 PolarHBondContact CE1-O 3.02Å; N91-R96 WeakPolarHBondContact O-CB 3.46Å; F92-R96 CarbonylContact C-O 3.54Å; F92-R96 WeakPolarHBondContact CA-O 3.49Å; N93-R96 WeakPolarHBondContact O-CB 3.48Å; N93-R96 PolarHBondContact O-N 3.43Å; G94-R96 PolarHBondContact O-N 3.37Å; G94-R96 VanDerWaalsContact O-N 3.14Å; R96-L98 PolarHBondContact O-N 3.37Å
97	D	98.6	Very high	98.3	Very high	51 Å²	51	50.8 Å²	50.8	27%	0.273	29%	0.292	S	S	.	.			trans	-78.7	87.1	-178.3	-164.6	-19.2	0	0	0	111.9	W59 F92 G94 I99 A100 F101	W59-D97 HydrophobicContact CH2-CB 4.44Å; W59-D97 WeakPolarHBondContact CH2-O 3.39Å; W59-D97 WeakPolarHBondContact CZ3-O 3.38Å; F92-D97 VanDerWaalsContact O-CA 3.25Å; F92-D97 WeakPolarHBondContact O-CA 3.15Å; F92-D97 WeakPolarHBondContact O-CB 3.22Å; G94-D97 WeakPolarHBondContact O-CB 3.4Å; G94-D97 PolarHBondContact O-N 3.27Å; G94-D97 VanDerWaalsContact O-N 3.15Å; D97-I99 PolarHBondContact O-N 2.97Å; D97-I99 PolarHBondContact OD1-N 3.35Å; D97-A100 HydrophobicContact CB-CB 3.87Å; D97-A100 PolarHBondContact O-N 3.41Å; D97-A100 PolarHBondContact OD1-N 3.46Å; D97-A100 WeakPolarHBondContact OD2-CB 3.36Å; D97-F101 PolarHBondContact O-N 3.09Å; D97-F101 VanDerWaalsContact O-N 3.16Å
98	L	98.5	Very high	98.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-36.2	174	171.7	60.1	0	0	0	112.1	Y51 F76 V78 F92 R96 F101 L102 L159 I163	Y51-L98 HydrophobicContact CE1-CD1 4.1Å; F76-L98 HydrophobicContact CE2-CD1 3.47Å; F76-L98 VanDerWaalsContact CE2-CD1 3.47Å; F76-L98 HydrophobicContact CZ-CD1 3.91Å; V78-L98 HydrophobicContact CG1-CD2 4.34Å; V78-L98 HydrophobicContact CG2-CD1 4.22Å; V78-L98 HydrophobicContact CG2-CD2 4.17Å; F92-L98 HydrophobicContact CD1-CB 4.28Å; F92-L98 HydrophobicContact CE1-CD2 4.43Å; R96-L98 PolarHBondContact O-N 3.37Å; L98-F101 PolarHBondContact O-N 2.93Å; L98-L102 HydrophobicContact CD1-CD1 4.24Å; L98-L102 HydrophobicContact CD1-CG 4.3Å; L98-L102 HydrophobicContact CG-CD1 4.17Å; L98-L102 WeakPolarHBondContact O-CG 3.43Å; L98-L102 PolarHBondContact O-N 3.07Å; L98-L159 HydrophobicContact CD2-CD1 3.73Å; L98-I163 HydrophobicContact CD2-CG2 3.96Å
99	I	98.4	Very high	98.3	Very high	46 Å²	46	53.4 Å²	53.4	24%	0.236	29%	0.292	C	S	.	.	H	α-helix	trans	-73.5	-43.1	-175.1	-59.2	-54.1	0	0	0	110.1	D97 F101 L102 N103 K162 F166	D97-I99 PolarHBondContact O-N 2.97Å; D97-I99 PolarHBondContact OD1-N 3.35Å; I99-F101 VanDerWaalsContact C-N 3.3Å; I99-F101 PolarHBondContact O-N 3.45Å; I99-L102 HydrophobicContact CD1-CD1 4.3Å; I99-L102 PolarHBondContact O-N 3.36Å; I99-N103 WeakPolarHBondContact O-CB 3.28Å; I99-N103 VanDerWaalsContact O-CG 3.31Å; I99-N103 PolarHBondContact O-N 2.7Å; I99-N103 PolarHBondContact O-ND2 2.85Å; I99-K162 HydrophobicContact CD1-CB 4.32Å; I99-K162 WeakPolarHBondContact CD1-O 3.45Å; I99-F166 HydrophobicContact CD1-CD2 4.15Å; I99-F166 HydrophobicContact CD1-CE2 3.74Å; I99-F166 HydrophobicContact CD1-CZ 4.38Å; I99-F166 HydrophobicContact CG2-CE2 3.91Å; I99-F166 HydrophobicContact CG2-CZ 3.6Å
100	A	98.6	Very high	98.4	Very high	28 Å²	28	48.5 Å²	48.5	23%	0.231	27%	0.267	C	S	.	.	H	α-helix	trans	-57.4	-44.4	171	0	0	0	0	0	111.2	W59 D97 N103 E104	W59-A100 HydrophobicContact CZ3-CB 4.01Å; D97-A100 HydrophobicContact CB-CB 3.87Å; D97-A100 PolarHBondContact O-N 3.41Å; D97-A100 PolarHBondContact OD1-N 3.46Å; D97-A100 WeakPolarHBondContact OD2-CB 3.36Å; A100-N103 WeakPolarHBondContact O-CB 3.47Å; A100-N103 PolarHBondContact O-N 3.45Å; A100-E104 WeakPolarHBondContact O-CG 3.33Å; A100-E104 PolarHBondContact O-N 3.24Å
101	F	98.8	Very high	98.4	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-43.5	177.7	-173	-108.7	0	0	0	113.4	L49 Y51 W59 L63 F76 D97 L98 I99 N103 E104 A105	L49-F101 HydrophobicContact CB-CZ 4.49Å; L49-F101 HydrophobicContact CD2-CE2 4.03Å; L49-F101 HydrophobicContact CD2-CZ 3.9Å; L49-F101 HydrophobicContact CG-CZ 4.13Å; Y51-F101 AromaticContact CD1-CD1 3.96Å; Y51-F101 HydrophobicContact CD1-CD1 3.96Å; Y51-F101 HydrophobicContact CD1-CE1 4.3Å; Y51-F101 HydrophobicContact CD1-CG 4.38Å; Y51-F101 HydrophobicContact CG-CB 4.37Å; Y51-F101 HydrophobicContact CG-CD1 4.16Å; Y51-F101 HydrophobicContact CG-CG 4.12Å; W59-F101 HydrophobicContact CB-CD2 3.94Å; W59-F101 HydrophobicContact CB-CE2 4.2Å; W59-F101 HydrophobicContact CD2-CB 4.39Å; W59-F101 AromaticContact CD2-CD2 3.67Å; W59-F101 HydrophobicContact CD2-CD2 3.67Å; W59-F101 HydrophobicContact CD2-CE2 4.49Å; W59-F101 HydrophobicContact CD2-CG 4.49Å; W59-F101 HydrophobicContact CE3-CB 4.07Å; W59-F101 HydrophobicContact CE3-CD2 4.1Å; W59-F101 AromaticContact CG-CD2 3.62Å; W59-F101 HydrophobicContact CG-CD2 3.62Å; W59-F101 HydrophobicContact CG-CE2 4.03Å; W59-F101 HydrophobicContact CZ3-CB 4.15Å; L63-F101 HydrophobicContact CD1-CD2 4.2Å; L63-F101 HydrophobicContact CD1-CE2 3.8Å; L63-F101 HydrophobicContact CD1-CZ 4.3Å; L63-F101 HydrophobicContact CD2-CE2 4.35Å; L63-F101 HydrophobicContact CD2-CZ 4.11Å; L63-F101 HydrophobicContact CG-CE2 4.21Å; L63-F101 HydrophobicContact CG-CZ 4.46Å; F76-F101 HydrophobicContact CB-CE1 4.38Å; F76-F101 HydrophobicContact CD1-CD1 4.14Å; F76-F101 AromaticContact CD1-CE1 3.54Å; F76-F101 HydrophobicContact CD1-CE1 3.54Å; F76-F101 HydrophobicContact CD2-CD1 4.48Å; F76-F101 HydrophobicContact CD2-CE1 4.34Å; F76-F101 AromaticContact CE1-CD1 3.9Å; F76-F101 HydrophobicContact CE1-CD1 3.9Å; F76-F101 AromaticContact CE1-CE1 3.73Å; F76-F101 HydrophobicContact CE1-CE1 3.73Å; F76-F101 HydrophobicContact CE2-CD1 4.3Å; F76-F101 HydrophobicContact CG-CD1 4.4Å; F76-F101 AromaticContact CG-CE1 3.84Å; F76-F101 HydrophobicContact CG-CE1 3.84Å; F76-F101 AromaticContact CZ-CD1 3.99Å; F76-F101 HydrophobicContact CZ-CD1 3.99Å; F76-F101 HydrophobicContact CZ-CE1 4.23Å; D97-F101 PolarHBondContact O-N 3.09Å; D97-F101 VanDerWaalsContact O-N 3.16Å; L98-F101 PolarHBondContact O-N 2.93Å; I99-F101 VanDerWaalsContact C-N 3.3Å; I99-F101 PolarHBondContact O-N 3.45Å; F101-N103 VanDerWaalsContact C-N 3.3Å; F101-N103 PolarHBondContact O-N 3.12Å; F101-E104 PolarHBondContact O-N 3.37Å; F101-A105 PolarHBondContact O-N 3.1Å
102	L	98.7	Very high	98.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-42.3	173.9	-78.1	167.7	0	0	0	111.8	F76 L98 I99 A105 A106 V112 F166 N173 I174	F76-L102 HydrophobicContact CE1-CD2 4.11Å; F76-L102 HydrophobicContact CZ-CD2 3.68Å; F76-L102 HydrophobicContact CZ-CG 4.15Å; L98-L102 HydrophobicContact CD1-CD1 4.24Å; L98-L102 HydrophobicContact CD1-CG 4.3Å; L98-L102 HydrophobicContact CG-CD1 4.17Å; L98-L102 WeakPolarHBondContact O-CG 3.43Å; L98-L102 PolarHBondContact O-N 3.07Å; I99-L102 HydrophobicContact CD1-CD1 4.3Å; I99-L102 PolarHBondContact O-N 3.36Å; L102-A105 PolarHBondContact O-N 3.09Å; L102-A106 PolarHBondContact O-N 3.12Å; L102-V112 HydrophobicContact CD2-CB 4.39Å; L102-V112 HydrophobicContact CD2-CG1 4.02Å; L102-V112 HydrophobicContact CD2-CG2 4Å; L102-F166 HydrophobicContact CB-CD1 3.74Å; L102-F166 HydrophobicContact CB-CE1 3.87Å; L102-F166 HydrophobicContact CB-CG 4.44Å; L102-F166 HydrophobicContact CD1-CB 4.07Å; L102-F166 HydrophobicContact CD1-CD1 3.95Å; L102-F166 HydrophobicContact CD1-CD2 4.19Å; L102-F166 HydrophobicContact CD1-CG 3.79Å; L102-F166 HydrophobicContact CG-CD1 4.35Å; L102-N173 PolarHBondContact O-ND2 2.85Å; L102-I174 HydrophobicContact CD1-CD1 4.34Å; L102-I174 HydrophobicContact CD2-CD1 4.12Å; L102-I174 HydrophobicContact CD2-CG1 3.97Å
103	N	98.7	Very high	98.4	Very high	67 Å²	67	42.8 Å²	42.8	36%	0.358	24%	0.243	S	C	.	.	H	α-helix	trans	-65.6	-40.4	176.3	-74.5	-41	0	0	0	112.4	I99 A100 F101 A105 A106 K107 F166	I99-N103 WeakPolarHBondContact O-CB 3.28Å; I99-N103 VanDerWaalsContact O-CG 3.31Å; I99-N103 PolarHBondContact O-N 2.7Å; I99-N103 PolarHBondContact O-ND2 2.85Å; A100-N103 WeakPolarHBondContact O-CB 3.47Å; A100-N103 PolarHBondContact O-N 3.45Å; F101-N103 VanDerWaalsContact C-N 3.3Å; F101-N103 PolarHBondContact O-N 3.12Å; N103-A105 VanDerWaalsContact C-N 3.31Å; N103-A105 PolarHBondContact O-N 3.22Å; N103-A106 PolarHBondContact O-N 3.34Å; N103-K107 WeakPolarHBondContact O-CG 3.46Å; N103-K107 PolarHBondContact O-N 2.95Å; N103-F166 WeakPolarHBondContact OD1-CE1 3.34Å
104	E	98.8	Very high	98.5	Very high	43 Å²	43	36.8 Å²	36.8	20%	0.201	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-40	174.2	-68.4	-50.8	140.8	0	0	111.6	W59 A60 L63 A100 F101 A106 K107	W59-E104 HydrophobicContact CB-CG 4.45Å; A60-E104 WeakPolarHBondContact CB-OE2 3.4Å; L63-E104 HydrophobicContact CD1-CB 3.59Å; A100-E104 WeakPolarHBondContact O-CG 3.33Å; A100-E104 PolarHBondContact O-N 3.24Å; F101-E104 PolarHBondContact O-N 3.37Å; E104-A106 VanDerWaalsContact C-N 3.34Å; E104-A106 PolarHBondContact O-N 2.88Å; E104-K107 PolarHBondContact O-N 3.18Å; E104-K107 IonicContact OE1-NZ 2.93Å; E104-K107 PolarHBondContact OE1-NZ 2.87Å; E104-K107 IonicContact OE2-NZ 2.67Å
105	A	98.8	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-40.1	175.6	0	0	0	0	0	111.6	L63 V74 F101 L102 N103 V108 N109 L110 V112	L63-A105 HydrophobicContact CD1-CB 4.2Å; L63-A105 HydrophobicContact CD2-CB 4.22Å; V74-A105 HydrophobicContact CG1-CB 3.99Å; F101-A105 PolarHBondContact O-N 3.1Å; L102-A105 PolarHBondContact O-N 3.09Å; N103-A105 VanDerWaalsContact C-N 3.31Å; N103-A105 PolarHBondContact O-N 3.22Å; A105-V108 WeakPolarHBondContact O-CG2 3.47Å; A105-V108 PolarHBondContact O-N 2.82Å; A105-N109 PolarHBondContact O-N 3.31Å; A105-L110 HydrophobicContact CB-CB 4.39Å; A105-L110 PolarHBondContact O-N 3.17Å; A105-V112 HydrophobicContact CB-CG2 4.21Å
106	A	98.6	Very high	98.7	Very high	41 Å²	41	33.4 Å²	33.4	34%	0.339	17%	0.174	S	C	.	.	H	α-helix	trans	-63.9	-39.8	176.9	0	0	0	0	0	112.6	L102 N103 E104 V108 N109 N173	L102-A106 PolarHBondContact O-N 3.12Å; N103-A106 PolarHBondContact O-N 3.34Å; E104-A106 VanDerWaalsContact C-N 3.34Å; E104-A106 PolarHBondContact O-N 2.88Å; A106-V108 PolarHBondContact O-N 3.01Å; A106-N109 PolarHBondContact O-N 3.18Å; A106-N173 PolarHBondContact N-ND2 2.8Å
107	K	98.6	Very high	98.6	Very high	139 Å²	139	30.7 Å²	30.7	60%	0.604	16%	0.164	S	C	*	.	H	α-helix	trans	-59	-30	178.7	-73.5	171.5	-170.2	173.3	0	113.5	N103 E104	N103-K107 WeakPolarHBondContact O-CG 3.46Å; N103-K107 PolarHBondContact O-N 2.95Å; E104-K107 PolarHBondContact O-N 3.18Å; E104-K107 IonicContact OE1-NZ 2.93Å; E104-K107 PolarHBondContact OE1-NZ 2.87Å; E104-K107 IonicContact OE2-NZ 2.67Å
108	V	98.5	Very high	98.6	Very high	23 Å²	23	28.9 Å²	28.9	14%	0.139	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	15.9	176.8	-60.4	0	0	0	0	112.7	L63 L64 Q67 A105 A106 L110	L63-V108 HydrophobicContact CB-CG2 3.97Å; L64-V108 HydrophobicContact CB-CG1 4.25Å; L64-V108 HydrophobicContact CD1-CG1 4.19Å; Q67-V108 HydrophobicContact CB-CB 4.44Å; Q67-V108 WeakPolarHBondContact CG-O 3.36Å; A105-V108 WeakPolarHBondContact O-CG2 3.47Å; A105-V108 PolarHBondContact O-N 2.82Å; A106-V108 PolarHBondContact O-N 3.01Å; V108-L110 VanDerWaalsContact C-N 3.25Å; V108-L110 HydrophobicContact CG2-CB 4.35Å; V108-L110 HydrophobicContact CG2-CD1 3.73Å; V108-L110 HydrophobicContact CG2-CG 3.86Å; V108-L110 PolarHBondContact O-N 3.13Å
109	N	97.9	Very high	98.6	Very high	140 Å²	140	31 Å²	31	75%	0.749	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	31.2	178.6	-55.4	-54.5	0	0	0	114.4	A105 A106	A105-N109 PolarHBondContact O-N 3.31Å; A106-N109 PolarHBondContact O-N 3.18Å
110	L	98.9	Very high	98.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.153	C	C	.	.			trans	-87.9	126.2	170.3	-70.6	172.5	0	0	0	110.1	L63 M66 Q67 L71 V74 A105 V108 N173	L63-L110 HydrophobicContact CB-CD1 4.28Å; L63-L110 HydrophobicContact CD2-CD1 3.93Å; M66-L110 HydrophobicContact CB-CD1 4.35Å; Q67-L110 HydrophobicContact CB-CD1 4.39Å; Q67-L110 HydrophobicContact CB-CD2 4.21Å; Q67-L110 HydrophobicContact CB-CG 4.24Å; L71-L110 HydrophobicContact CB-CD2 4.43Å; L71-L110 VanDerWaalsContact O-CD2 3.23Å; L71-L110 WeakPolarHBondContact O-CD2 3.44Å; V74-L110 HydrophobicContact CB-CD1 4.36Å; V74-L110 HydrophobicContact CG1-CB 4.26Å; A105-L110 HydrophobicContact CB-CB 4.39Å; A105-L110 PolarHBondContact O-N 3.17Å; V108-L110 VanDerWaalsContact C-N 3.25Å; V108-L110 HydrophobicContact CG2-CB 4.35Å; V108-L110 HydrophobicContact CG2-CD1 3.73Å; V108-L110 HydrophobicContact CG2-CG 3.86Å; V108-L110 PolarHBondContact O-N 3.13Å; L110-N173 PolarHBondContact O-ND2 2.87Å
111	L	98.9	Very high	98.6	Very high	21 Å²	21	29 Å²	29	11%	0.11	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	161.9	164.8	-60.1	169.5	0	0	0	110	L37 F42 N72 A73 V74 Y168 N173 I175	L37-L111 HydrophobicContact CD1-CD1 4.41Å; L37-L111 HydrophobicContact CD2-CD1 4.13Å; F42-L111 HydrophobicContact CE1-CD1 4.16Å; F42-L111 HydrophobicContact CE2-CD1 3.83Å; F42-L111 HydrophobicContact CZ-CD1 3.43Å; F42-L111 VanDerWaalsContact CZ-CD1 3.43Å; N72-L111 PolarHBondContact O-N 2.97Å; A73-L111 CarbonylContact C-O 3.57Å; A73-L111 WeakPolarHBondContact CA-O 3.19Å; A73-L111 HydrophobicContact CB-CB 4.17Å; V74-L111 PolarHBondContact N-O 3.36Å; L111-Y168 HydrophobicContact CD2-CD2 3.86Å; L111-Y168 HydrophobicContact CD2-CE2 3.61Å; L111-N173 CarbonylContact C-O 3.45Å; L111-N173 WeakPolarHBondContact CA-O 3.45Å; L111-I175 HydrophobicContact CB-CD1 3.92Å; L111-I175 HydrophobicContact CB-CG1 4.17Å; L111-I175 HydrophobicContact CB-CG2 4.2Å; L111-I175 HydrophobicContact CD1-CD1 4.15Å; L111-I175 HydrophobicContact CD1-CG2 4.18Å; L111-I175 HydrophobicContact CD2-CG2 3.87Å; L111-I175 HydrophobicContact CG-CG2 4.3Å
112	V	98.9	Very high	98.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.6	-173.7	172.6	0	0	0	0	111.2	V74 F76 L102 A105 L114 N173 I174 I175	V74-V112 HydrophobicContact CG1-CG2 3.97Å; V74-V112 WeakPolarHBondContact O-CA 3.34Å; F76-V112 HydrophobicContact CD1-CG1 4.2Å; F76-V112 HydrophobicContact CE1-CB 4.48Å; F76-V112 HydrophobicContact CE1-CG1 3.43Å; F76-V112 VanDerWaalsContact CE1-CG1 3.43Å; F76-V112 HydrophobicContact CE1-CG2 4.2Å; F76-V112 HydrophobicContact CZ-CG1 3.99Å; L102-V112 HydrophobicContact CD2-CB 4.39Å; L102-V112 HydrophobicContact CD2-CG1 4.02Å; L102-V112 HydrophobicContact CD2-CG2 4Å; A105-V112 HydrophobicContact CB-CG2 4.21Å; V112-L114 HydrophobicContact CG1-CB 4.23Å; V112-N173 WeakPolarHBondContact CG2-ND2 3.37Å; V112-N173 PolarHBondContact N-O 3.29Å; V112-I174 HydrophobicContact CB-CG1 4.04Å; V112-I174 HydrophobicContact CG1-CG1 3.92Å; V112-I174 WeakPolarHBondContact O-CA 3.33Å; V112-I175 VanDerWaalsContact O-CG1 3.29Å; V112-I175 WeakPolarHBondContact O-CG1 3.38Å; V112-I175 PolarHBondContact O-N 3.34Å
113	I	98.9	Very high	98.5	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.046	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	103.7	164.4	-57.5	168.7	0	0	0	106.4	Y44 V74 Q75 F76	Y44-I113 HydrophobicContact CD1-CD1 4.34Å; Y44-I113 HydrophobicContact CD2-CD1 3.69Å; Y44-I113 HydrophobicContact CE1-CD1 4.34Å; Y44-I113 HydrophobicContact CE2-CD1 3.7Å; Y44-I113 HydrophobicContact CG-CD1 4.02Å; V74-I113 PolarHBondContact O-N 3.03Å; Q75-I113 WeakPolarHBondContact CA-O 3.34Å; Q75-I113 HydrophobicContact CB-CB 4.04Å; Q75-I113 HydrophobicContact CB-CG2 4.49Å; Q75-I113 HydrophobicContact CG-CB 3.96Å; Q75-I113 HydrophobicContact CG-CG2 3.9Å; Q75-I113 WeakPolarHBondContact CG-O 3.34Å; F76-I113 PolarHBondContact N-O 3.49Å
114	L	98.9	Very high	98.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.1	-174.7	-172	69.7	0	0	0	110.5	F76 V78 V112 P116 I163 I174 S176 I177 Q178	F76-L114 HydrophobicContact CD2-CD1 4.01Å; F76-L114 HydrophobicContact CE1-CD1 4.37Å; F76-L114 HydrophobicContact CE2-CD1 3.28Å; F76-L114 HydrophobicContact CZ-CD1 3.51Å; V78-L114 HydrophobicContact CG2-CD1 3.77Å; V112-L114 HydrophobicContact CG1-CB 4.23Å; L114-P116 HydrophobicContact CD2-CB 4.43Å; L114-P116 HydrophobicContact CG-CB 4.5Å; L114-P116 WeakPolarHBondContact O-CD 3.44Å; L114-I163 HydrophobicContact CD2-CB 4.35Å; L114-I163 HydrophobicContact CD2-CD1 3.5Å; L114-I163 HydrophobicContact CD2-CG2 4.11Å; L114-I174 HydrophobicContact CB-CG2 4Å; L114-I174 HydrophobicContact CD2-CD1 4.07Å; L114-S176 PolarHBondContact N-O 3.24Å; L114-I177 HydrophobicContact CB-CG1 4.35Å; L114-I177 CarbonylContact O-C 3.47Å; L114-I177 VanDerWaalsContact O-CA 3.31Å; L114-I177 WeakPolarHBondContact O-CA 3.42Å; L114-Q178 PolarHBondContact O-N 3Å
115	R	98.9	Very high	98.5	Very high	30 Å²	30	41.6 Å²	41.6	11%	0.113	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	78.7	175.7	-58.9	-179.3	66.7	163.9	0.8	110.2	Q75 F76 Y77 V78 G117 Q178 N181	Q75-R115 VanDerWaalsContact CD-CD 3.47Å; Q75-R115 HydrophobicContact CG-CG 4.09Å; F76-R115 PolarHBondContact O-N 2.97Å; Y77-R115 VanDerWaalsContact CA-O 3.23Å; Y77-R115 WeakPolarHBondContact CA-O 3.37Å; Y77-R115 HydrophobicContact CD1-CB 3.29Å; Y77-R115 HydrophobicContact CD1-CG 4.3Å; Y77-R115 WeakPolarHBondContact CD1-O 3.35Å; Y77-R115 HydrophobicContact CE1-CB 3.63Å; Y77-R115 HydrophobicContact CE1-CG 4.26Å; Y77-R115 HydrophobicContact CG-CB 4.18Å; Y77-R115 VanDerWaalsContact CZ-CZ 3.43Å; Y77-R115 PolarHBondContact OH-NE 3.42Å; Y77-R115 PolarHBondContact OH-NH1 3.33Å; Y77-R115 PolarHBondContact OH-NH2 2.92Å; V78-R115 PolarHBondContact N-O 3.25Å; V78-R115 VanDerWaalsContact N-O 3.12Å; R115-G117 VanDerWaalsContact C-N 3.27Å; R115-G117 PolarHBondContact O-N 2.91Å; R115-Q178 HydrophobicContact CB-CB 4.33Å; R115-Q178 HydrophobicContact CG-CB 3.85Å; R115-Q178 VanDerWaalsContact NE-CD 3.29Å; R115-Q178 VanDerWaalsContact NE-NE2 3.14Å; R115-N181 PolarHBondContact NH2-OD1 3.12Å
116	P	98.5	Very high	98.5	Very high	4 Å²	4	44 Å²	44	3%	0.026	22%	0.219	C	C	.	.			trans	-79.8	-1.5	-170.5	34.3	-38.6	0	0	0	115.1	V78 L114 F156 L159 I177 Q178	V78-P116 HydrophobicContact CB-CB 4.48Å; V78-P116 HydrophobicContact CG2-CB 4.45Å; L114-P116 HydrophobicContact CD2-CB 4.43Å; L114-P116 HydrophobicContact CG-CB 4.5Å; L114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-F156 HydrophobicContact CB-CE1 4.15Å; P116-F156 HydrophobicContact CG-CE1 4.29Å; P116-L159 HydrophobicContact CB-CD2 3.63Å; P116-I177 HydrophobicContact CG-CG2 3.69Å; P116-Q178 WeakPolarHBondContact CD-O 3.45Å
117	G	97.9	Very high	98.5	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.021	21%	0.206	C	C	.	.			trans	89	-138.7	178	0	0	0	0	0	113.7	R115 Y119 E180	R115-G117 VanDerWaalsContact C-N 3.27Å; R115-G117 PolarHBondContact O-N 2.91Å; G117-Y119 WeakPolarHBondContact CA-O 3.46Å; G117-E180 WeakPolarHBondContact O-CA 3.46Å; G117-E180 PolarHBondContact O-N 3.19Å
118	P	98.1	Very high	98.5	Very high	13 Å²	13	35.8 Å²	35.8	8%	0.084	18%	0.178	C	C	.	.	S	Bend	cis	-78.9	-24	22.3	30.8	-35.3	0	0	0	114.3	W80 V152 F156	W80-P118 HydrophobicContact CE3-CB 4.05Å; W80-P118 HydrophobicContact CZ3-CB 4.35Å; P118-V152 HydrophobicContact CB-CG1 4.24Å; P118-V152 HydrophobicContact CB-CG2 4.06Å; P118-V152 HydrophobicContact CG-CG1 3.88Å; P118-V152 HydrophobicContact CG-CG2 3.84Å; P118-F156 HydrophobicContact CB-CE2 3.97Å; P118-F156 HydrophobicContact CB-CZ 4.3Å; P118-F156 HydrophobicContact CG-CE2 4.13Å
119	Y	98.8	Very high	98.5	Very high	45 Å²	45	34.9 Å²	34.9	18%	0.176	17%	0.172	C	C	.	.			trans	-94.8	135.9	166.7	171.9	-94.8	0	0	0	109.9	G117 C121 G127 L129 R142 N181	G117-Y119 WeakPolarHBondContact CA-O 3.46Å; Y119-C121 HydrophobicContact CE1-CB 3.7Å; Y119-C121 WeakPolarHBondContact OH-CB 3.23Å; Y119-G127 WeakPolarHBondContact CD2-O 3.3Å; Y119-L129 HydrophobicContact CD2-CD1 4.07Å; Y119-L129 HydrophobicContact CD2-CG 4.16Å; Y119-R142 VanDerWaalsContact CD1-NE 3.35Å; Y119-R142 VanDerWaalsContact CE1-NH1 3.28Å; Y119-R142 HydrophobicContact CG-CG 4.3Å; Y119-N181 HydrophobicContact CD1-CB 4Å; Y119-N181 HydrophobicContact CE1-CB 4.4Å; Y119-N181 WeakPolarHBondContact O-CB 3.38Å
120	I	98.8	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.137	C	C	.	.			trans	-123.2	-8.9	-175.5	64.5	165.5	0	0	0	114.2	F52 Y77 P79 A122 G127	F52-I120 HydrophobicContact CZ-CD1 4.43Å; Y77-I120 HydrophobicContact CD1-CB 3.5Å; Y77-I120 VanDerWaalsContact CD1-CB 3.5Å; Y77-I120 HydrophobicContact CD1-CG2 3.61Å; Y77-I120 HydrophobicContact CE1-CB 3.93Å; Y77-I120 HydrophobicContact CE1-CG2 4.34Å; Y77-I120 HydrophobicContact CG-CB 3.87Å; Y77-I120 HydrophobicContact CG-CD1 4.13Å; Y77-I120 HydrophobicContact CG-CG2 4.15Å; P79-I120 HydrophobicContact CB-CD1 3.78Å; P79-I120 HydrophobicContact CG-CD1 3.94Å; I120-A122 HydrophobicContact CD1-CB 4.08Å; I120-A122 HydrophobicContact CG1-CB 4.19Å; I120-A122 WeakPolarHBondContact O-CB 3.45Å; I120-A122 PolarHBondContact O-N 3.38Å; I120-G127 VanDerWaalsContact CG1-O 3.3Å; I120-G127 WeakPolarHBondContact CG1-O 3.46Å; I120-G127 PolarHBondContact N-O 2.82Å
121	C	98.1	Very high	98.5	Very high	31 Å²	31	32.2 Å²	32.2	21%	0.209	16%	0.164	C	C	.	.			trans	54.2	-99.6	-168.6	-175.1	0	0	0	0	111.4	Y119 E123 W124 G127 N181	Y119-C121 HydrophobicContact CE1-CB 3.7Å; Y119-C121 WeakPolarHBondContact OH-CB 3.23Å; C121-E123 PolarHBondContact O-N 3.05Å; C121-E123 VanDerWaalsContact O-N 3.13Å; C121-W124 PolarHBondContact O-N 3.46Å; C121-G127 PolarHBondContact N-O 3.2Å; C121-G127 WeakPolarHBondContact O-CA 3.45Å; C121-N181 WeakPolarHBondContact CB-ND2 3.25Å
122	A	97.4	Very high	98.5	Very high	7 Å²	7	32.6 Å²	32.6	6%	0.058	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	17.9	167.2	0	0	0	0	0	115.8	R53 Y77 I120 W124	R53-A122 PolarHBondContact NH1-O 3.24Å; R53-A122 PolarHBondContact NH2-O 2.89Å; Y77-A122 HydrophobicContact CD2-CB 3.7Å; Y77-A122 HydrophobicContact CE2-CB 3.66Å; Y77-A122 HydrophobicContact CG-CB 4.47Å; I120-A122 HydrophobicContact CD1-CB 4.08Å; I120-A122 HydrophobicContact CG1-CB 4.19Å; I120-A122 WeakPolarHBondContact O-CB 3.45Å; I120-A122 PolarHBondContact O-N 3.38Å; A122-W124 HydrophobicContact CB-CB 4.43Å; A122-W124 PolarHBondContact O-N 2.99Å; A122-W124 VanDerWaalsContact O-N 3.17Å
123	E	98.5	Very high	98.5	Very high	159 Å²	159	32.9 Å²	32.9	74%	0.743	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	39.6	-171	-64.3	64	-113.1	0	0	110.8	R53 C121	R53-E123 PolarHBondContact NH2-O 3.16Å; C121-E123 PolarHBondContact O-N 3.05Å; C121-E123 VanDerWaalsContact O-N 3.13Å
124	W	98.6	Very high	98.5	Very high	65 Å²	65	37 Å²	37	25%	0.246	19%	0.187	C	C	.	.			trans	-113.5	152.5	178.1	-173.2	-100.6	0	0	0	109.6	F52 R53 N81 Y82 C121 A122 M126 G127	F52-W124 HydrophobicContact CD2-CD2 4.05Å; F52-W124 AromaticContact CD2-CE3 3.73Å; F52-W124 HydrophobicContact CD2-CE3 3.73Å; F52-W124 AromaticContact CD2-CH2 3.74Å; F52-W124 HydrophobicContact CD2-CH2 3.74Å; F52-W124 HydrophobicContact CD2-CZ2 4.07Å; F52-W124 AromaticContact CD2-CZ3 3.57Å; F52-W124 HydrophobicContact CD2-CZ3 3.57Å; F52-W124 AromaticContact CE2-CD2 3.77Å; F52-W124 HydrophobicContact CE2-CD2 3.77Å; F52-W124 AromaticContact CE2-CE3 3.54Å; F52-W124 HydrophobicContact CE2-CE3 3.54Å; F52-W124 HydrophobicContact CE2-CG 4.31Å; F52-W124 HydrophobicContact CE2-CH2 4.4Å; F52-W124 AromaticContact CE2-CZ3 3.89Å; F52-W124 HydrophobicContact CE2-CZ3 3.89Å; R53-W124 HydrophobicContact CG-CZ3 4.46Å; N81-W124 PolarHBondContact OD1-NE1 3.49Å; Y82-W124 HydrophobicContact CD2-CH2 4.42Å; Y82-W124 AromaticContact CD2-CZ2 3.9Å; Y82-W124 HydrophobicContact CD2-CZ2 3.9Å; Y82-W124 HydrophobicContact CG-CZ2 4.37Å; C121-W124 PolarHBondContact O-N 3.46Å; A122-W124 HydrophobicContact CB-CB 4.43Å; A122-W124 PolarHBondContact O-N 2.99Å; A122-W124 VanDerWaalsContact O-N 3.17Å; W124-M126 PolarHBondContact O-N 3.02Å; W124-G127 PolarHBondContact O-N 3.45Å
125	E	98.4	Very high	98.4	Very high	144 Å²	144	44.3 Å²	44.3	67%	0.673	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-51	125.7	-174.9	-176.7	55.8	-159.7	0	0	111	N81 G127 G128	N81-E125 PolarHBondContact ND2-O 3.37Å; E125-G127 PolarHBondContact O-N 2.76Å; E125-G128 PolarHBondContact O-N 3.43Å
126	M	98.3	Very high	98.3	Very high	50 Å²	50	45.7 Å²	45.7	25%	0.246	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	47.5	31.2	-176.8	-158.6	178.5	162.7	0	0	114.4	W124 G128 L129 L134 L141	W124-M126 PolarHBondContact O-N 3.02Å; M126-G128 PolarHBondContact O-N 3.07Å; M126-L129 HydrophobicContact CE-CB 4.3Å; M126-L129 HydrophobicContact CG-CB 4.31Å; M126-L129 WeakPolarHBondContact O-CB 3.28Å; M126-L129 PolarHBondContact O-N 3.29Å; M126-L129 VanDerWaalsContact O-N 3.1Å; M126-L134 HydrophobicContact CE-CD1 3.69Å; M126-L134 HydrophobicContact CE-CD2 3.61Å; M126-L134 HydrophobicContact CE-CG 3.57Å; M126-L134 HydrophobicContact SD-CD1 3.89Å; M126-L134 HydrophobicContact SD-CG 4.23Å; M126-L141 HydrophobicContact CE-CD1 3.35Å
127	G	98.4	Very high	98.2	Very high	8 Å²	8	50.9 Å²	50.9	8%	0.082	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	61.4	26.2	-178.4	0	0	0	0	0	114.1	Y119 I120 C121 W124 E125 L129	Y119-G127 WeakPolarHBondContact CD2-O 3.3Å; I120-G127 VanDerWaalsContact CG1-O 3.3Å; I120-G127 WeakPolarHBondContact CG1-O 3.46Å; I120-G127 PolarHBondContact N-O 2.82Å; C121-G127 PolarHBondContact N-O 3.2Å; C121-G127 WeakPolarHBondContact O-CA 3.45Å; W124-G127 PolarHBondContact O-N 3.45Å; E125-G127 PolarHBondContact O-N 2.76Å; G127-L129 VanDerWaalsContact C-N 3.31Å
128	G	98.8	Very high	98.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	85.4	-6.3	-176.4	0	0	0	0	0	114.9	W80 N81 E125 M126	W80-G128 WeakPolarHBondContact CB-O 3.33Å; W80-G128 PolarHBondContact N-O 2.87Å; N81-G128 PolarHBondContact N-O 3.24Å; E125-G128 PolarHBondContact O-N 3.43Å; M126-G128 PolarHBondContact O-N 3.07Å
129	L	98.9	Very high	98.1	Very high	4 Å²	4	57 Å²	57	2%	0.021	29%	0.29	C	S	.	.			trans	-75	139.5	175.3	-62.1	178.2	0	0	0	110.5	W80 N81 Y119 M126 G127 L133 L141 R142 F148	W80-L129 HydrophobicContact CE3-CD2 3.87Å; W80-L129 HydrophobicContact CZ3-CD2 4.07Å; N81-L129 PolarHBondContact ND2-O 3.41Å; N81-L129 VanDerWaalsContact ND2-O 3.16Å; Y119-L129 HydrophobicContact CD2-CD1 4.07Å; Y119-L129 HydrophobicContact CD2-CG 4.16Å; M126-L129 HydrophobicContact CE-CB 4.3Å; M126-L129 HydrophobicContact CG-CB 4.31Å; M126-L129 WeakPolarHBondContact O-CB 3.28Å; M126-L129 PolarHBondContact O-N 3.29Å; M126-L129 VanDerWaalsContact O-N 3.1Å; G127-L129 VanDerWaalsContact C-N 3.31Å; L129-L133 HydrophobicContact CB-CD1 4.09Å; L129-L133 HydrophobicContact CD2-CD1 4.45Å; L129-L141 HydrophobicContact CD1-CB 4.25Å; L129-L141 HydrophobicContact CD1-CD1 4.1Å; L129-L141 HydrophobicContact CD1-CD2 4.45Å; L129-R142 HydrophobicContact CD1-CG 4.36Å; L129-F148 HydrophobicContact CD1-CE2 4.41Å; L129-F148 HydrophobicContact CD2-CE2 4.14Å; L129-F148 HydrophobicContact CD2-CZ 4.35Å
130	P	98.8	Very high	98	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.013	31%	0.306	C	S	.	.			trans	-69	136	175.4	-18.5	29.3	0	0	0	112.5	W80 N81 W132 L133	W80-P130 HydrophobicContact CD2-CG 3.52Å; W80-P130 VanDerWaalsContact CE2-CG 3.5Å; W80-P130 VanDerWaalsContact CE3-CD 3.4Å; W80-P130 HydrophobicContact CE3-CG 4.13Å; W80-P130 HydrophobicContact CG-CG 3.69Å; W80-P130 HydrophobicContact CZ2-CG 4.12Å; N81-P130 HydrophobicContact CB-CB 4.19Å; N81-P130 HydrophobicContact CB-CG 4.18Å; P130-W132 VanDerWaalsContact CB-CD1 3.43Å; P130-W132 HydrophobicContact CB-CD2 3.86Å; P130-W132 HydrophobicContact CB-CG 3.92Å; P130-W132 HydrophobicContact CB-CZ2 3.91Å; P130-W132 HydrophobicContact CG-CZ2 3.77Å; P130-W132 PolarHBondContact O-N 2.91Å; P130-L133 WeakPolarHBondContact O-CB 3.44Å; P130-L133 WeakPolarHBondContact O-CG 3.36Å; P130-L133 PolarHBondContact O-N 3.07Å; P130-L133 VanDerWaalsContact O-N 3.12Å
131	S	98.4	Very high	98	Very high	83 Å²	83	61.8 Å²	61.8	58%	0.58	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-63	-24.9	179.4	58.4	0	0	0	0	113.1	L133 L134	S131-L133 PolarHBondContact O-N 3.47Å; S131-L133 VanDerWaalsContact O-N 3.16Å; S131-L134 WeakPolarHBondContact O-CB 3.21Å; S131-L134 PolarHBondContact O-N 2.85Å
132	W	98.6	Very high	98	Very high	28 Å²	28	61.5 Å²	61.5	11%	0.106	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-63.2	-17.8	176.6	58	-111.8	0	0	0	113.5	W80 E84 P87 P130 L134 R135 A151	W80-W132 HydrophobicContact CH2-CH2 4.16Å; W80-W132 AromaticContact CZ2-CH2 3.56Å; W80-W132 HydrophobicContact CZ2-CH2 3.56Å; W80-W132 AromaticContact CZ2-CZ2 3.68Å; W80-W132 HydrophobicContact CZ2-CZ2 3.68Å; E84-W132 HydrophobicContact CG-CZ2 4.26Å; E84-W132 PolarHBondContact O-NE1 2.91Å; E84-W132 VanDerWaalsContact O-NE1 3.13Å; P87-W132 HydrophobicContact CB-CD2 4.46Å; P87-W132 HydrophobicContact CG-CB 4.24Å; P87-W132 HydrophobicContact CG-CD2 3.58Å; P87-W132 HydrophobicContact CG-CE3 3.77Å; P87-W132 HydrophobicContact CG-CG 3.8Å; P87-W132 HydrophobicContact CG-CZ3 4.31Å; P130-W132 VanDerWaalsContact CB-CD1 3.43Å; P130-W132 HydrophobicContact CB-CD2 3.86Å; P130-W132 HydrophobicContact CB-CG 3.92Å; P130-W132 HydrophobicContact CB-CZ2 3.91Å; P130-W132 HydrophobicContact CG-CZ2 3.77Å; P130-W132 PolarHBondContact O-N 2.91Å; W132-L134 PolarHBondContact O-N 3.36Å; W132-R135 VanDerWaalsContact O-CB 3.26Å; W132-R135 WeakPolarHBondContact O-CB 3.43Å; W132-R135 VanDerWaalsContact O-CG 3.25Å; W132-R135 WeakPolarHBondContact O-CG 3.47Å; W132-R135 PolarHBondContact O-N 2.63Å; W132-R135 VanDerWaalsContact O-N 3.11Å; W132-A151 HydrophobicContact CH2-CB 3.96Å; W132-A151 HydrophobicContact CZ3-CB 4.04Å
133	L	98.5	Very high	98.1	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.037	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-58.4	-34.6	170.3	-71.2	169.8	0	0	0	111.4	W80 L129 P130 S131 R135 N136 I139 L141 F148 A151	W80-L133 HydrophobicContact CH2-CD1 4.08Å; W80-L133 HydrophobicContact CH2-CD2 4.07Å; W80-L133 HydrophobicContact CH2-CG 4.49Å; W80-L133 HydrophobicContact CZ3-CD1 3.88Å; L129-L133 HydrophobicContact CB-CD1 4.09Å; L129-L133 HydrophobicContact CD2-CD1 4.45Å; P130-L133 WeakPolarHBondContact O-CB 3.44Å; P130-L133 WeakPolarHBondContact O-CG 3.36Å; P130-L133 PolarHBondContact O-N 3.07Å; P130-L133 VanDerWaalsContact O-N 3.12Å; S131-L133 PolarHBondContact O-N 3.47Å; S131-L133 VanDerWaalsContact O-N 3.16Å; L133-R135 PolarHBondContact O-N 3.28Å; L133-N136 PolarHBondContact O-N 2.95Å; L133-I139 HydrophobicContact CB-CD1 4.25Å; L133-I139 HydrophobicContact CD2-CD1 4.12Å; L133-L141 HydrophobicContact CB-CD2 4.09Å; L133-L141 HydrophobicContact CD1-CD2 4.05Å; L133-F148 HydrophobicContact CD1-CD2 4.4Å; L133-F148 HydrophobicContact CD1-CE2 4.25Å; L133-A151 HydrophobicContact CD2-CB 3.55Å
134	L	98.2	Very high	98	Very high	94 Å²	94	59.7 Å²	59.7	49%	0.492	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-74.5	-2.3	179.9	-55.5	179.7	0	0	0	113.6	M126 S131 W132 N136 I139 L141	M126-L134 HydrophobicContact CE-CD1 3.69Å; M126-L134 HydrophobicContact CE-CD2 3.61Å; M126-L134 HydrophobicContact CE-CG 3.57Å; M126-L134 HydrophobicContact SD-CD1 3.89Å; M126-L134 HydrophobicContact SD-CG 4.23Å; S131-L134 WeakPolarHBondContact O-CB 3.21Å; S131-L134 PolarHBondContact O-N 2.85Å; W132-L134 PolarHBondContact O-N 3.36Å; L134-N136 PolarHBondContact O-N 3.3Å; L134-I139 HydrophobicContact CD2-CG2 4.35Å; L134-L141 HydrophobicContact CD2-CD1 4.09Å
135	R	97.8	Very high	98	Very high	155 Å²	155	57.9 Å²	57.9	59%	0.585	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-61.6	-27	168.8	-68	173	-177.9	162.7	4.9	111.2	E86 W132 L133 P137	E86-R135 IonicContact OE1-NH2 3.52Å; E86-R135 PolarHBondContact OE1-NH2 2.9Å; E86-R135 IonicContact OE2-CZ 2.72Å; E86-R135 VanDerWaalsContact OE2-CZ 3.26Å; E86-R135 IonicContact OE2-NH1 2.92Å; E86-R135 PolarHBondContact OE2-NH1 3.48Å; E86-R135 IonicContact OE2-NH2 3.59Å; E86-R135 PolarHBondContact OE2-NH2 3.42Å; W132-R135 VanDerWaalsContact O-CB 3.26Å; W132-R135 WeakPolarHBondContact O-CB 3.43Å; W132-R135 VanDerWaalsContact O-CG 3.25Å; W132-R135 WeakPolarHBondContact O-CG 3.47Å; W132-R135 PolarHBondContact O-N 2.63Å; W132-R135 VanDerWaalsContact O-N 3.11Å; L133-R135 PolarHBondContact O-N 3.28Å; R135-P137 WeakPolarHBondContact O-CD 3.39Å
136	N	96.6	Very high	98	Very high	59 Å²	59	55.9 Å²	55.9	32%	0.316	31%	0.307	S	S	.	.	S	Bend	trans	-89.1	105.5	162.8	178.5	4.8	0	0	0	108.9	L133 L134 N138 I139	L133-N136 PolarHBondContact O-N 2.95Å; L134-N136 PolarHBondContact O-N 3.3Å; N136-N138 PolarHBondContact O-N 3.36Å; N136-N138 PolarHBondContact OD1-N 3Å; N136-N138 VanDerWaalsContact OD1-N 3.08Å; N136-I139 HydrophobicContact CB-CB 4.22Å; N136-I139 WeakPolarHBondContact O-CG2 3.41Å; N136-I139 PolarHBondContact O-N 2.93Å
137	P	95.8	Very high	98	Very high	112 Å²	112	55.3 Å²	55.3	73%	0.727	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.1	-176.7	29.2	-36.2	0	0	0	113.6	R135	R135-P137 WeakPolarHBondContact O-CD 3.39Å
138	N	96.8	Very high	98	Very high	122 Å²	122	55.3 Å²	55.3	65%	0.652	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	5.9	-178	-60	-40.9	0	0	0	113	N136 H140	N136-N138 PolarHBondContact O-N 3.36Å; N136-N138 PolarHBondContact OD1-N 3Å; N136-N138 VanDerWaalsContact OD1-N 3.08Å; N138-H140 PolarHBondContact O-CE1 3.41Å; N138-H140 PolarHBondContact O-N 3.41Å; N138-H140 PolarHBondContact O-ND1 3.45Å; N138-H140 VanDerWaalsContact O-ND1 3.09Å
139	I	97.8	Very high	98	Very high	23 Å²	23	59.2 Å²	59.2	12%	0.118	33%	0.328	C	S	.	.			trans	-69.6	130.1	-176.3	-162.6	170.8	0	0	0	111.2	L133 L134 N136 L141 F148	L133-I139 HydrophobicContact CB-CD1 4.25Å; L133-I139 HydrophobicContact CD2-CD1 4.12Å; L134-I139 HydrophobicContact CD2-CG2 4.35Å; N136-I139 HydrophobicContact CB-CB 4.22Å; N136-I139 WeakPolarHBondContact O-CG2 3.41Å; N136-I139 PolarHBondContact O-N 2.93Å; I139-L141 HydrophobicContact CD1-CD2 4.11Å; I139-L141 HydrophobicContact CG1-CD2 4.28Å; I139-L141 HydrophobicContact CG2-CD2 3.97Å; I139-L141 HydrophobicContact CG2-CG 4.34Å; I139-F148 HydrophobicContact CD1-CB 4.02Å; I139-F148 HydrophobicContact CD1-CD2 4.42Å; I139-F148 HydrophobicContact CG1-CB 4.06Å
140	H	97.9	Very high	98	Very high	113 Å²	113	66.1 Å²	66.1	52%	0.523	36%	0.36	S	S	.	.			trans	-97.6	94.5	171.2	-60.7	77.7	0	0	0	109.4	N138 T143 D145	N138-H140 PolarHBondContact O-CE1 3.41Å; N138-H140 PolarHBondContact O-N 3.41Å; N138-H140 PolarHBondContact O-ND1 3.45Å; N138-H140 VanDerWaalsContact O-ND1 3.09Å; H140-T143 HydrophobicContact CB-CG2 3.89Å; H140-T143 WeakPolarHBondContact CB-OG1 3.34Å; H140-T143 PolarHBondContact O-N 3.3Å; H140-T143 PolarHBondContact O-OG1 3.21Å; H140-D145 HydrophobicContact CB-CB 4.14Å; H140-D145 PolarHBondContact N-OD2 3.42Å; H140-D145 IonicContact ND1-OD2 2.85Å; H140-D145 WeakPolarHBondContact O-CB 3.31Å
141	L	98.1	Very high	98	Very high	31 Å²	31	66.7 Å²	66.7	16%	0.162	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	148.2	-179.4	-58.6	175.8	0	0	0	111.6	M126 L129 L133 L134 I139 T143 F148 Y186	M126-L141 HydrophobicContact CE-CD1 3.35Å; L129-L141 HydrophobicContact CD1-CB 4.25Å; L129-L141 HydrophobicContact CD1-CD1 4.1Å; L129-L141 HydrophobicContact CD1-CD2 4.45Å; L133-L141 HydrophobicContact CB-CD2 4.09Å; L133-L141 HydrophobicContact CD1-CD2 4.05Å; L134-L141 HydrophobicContact CD2-CD1 4.09Å; I139-L141 HydrophobicContact CD1-CD2 4.11Å; I139-L141 HydrophobicContact CG1-CD2 4.28Å; I139-L141 HydrophobicContact CG2-CD2 3.97Å; I139-L141 HydrophobicContact CG2-CG 4.34Å; L141-T143 WeakPolarHBondContact O-CG2 3.49Å; L141-T143 PolarHBondContact O-N 2.9Å; L141-T143 VanDerWaalsContact O-N 3.12Å; L141-F148 HydrophobicContact CB-CE2 4.48Å; L141-F148 HydrophobicContact CD2-CD2 3.79Å; L141-F148 HydrophobicContact CD2-CE2 4.03Å; L141-Y186 PolarHBondContact O-OH 2.94Å
142	R	98.2	Very high	98	Very high	26 Å²	26	63.6 Å²	63.6	10%	0.098	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	19.6	178.4	-50.5	173.9	67.3	-170	2.1	113.7	Y119 L129 F148 E180 N181 Y183 Y186	Y119-R142 VanDerWaalsContact CD1-NE 3.35Å; Y119-R142 VanDerWaalsContact CE1-NH1 3.28Å; Y119-R142 HydrophobicContact CG-CG 4.3Å; L129-R142 HydrophobicContact CD1-CG 4.36Å; R142-F148 VanDerWaalsContact CA-CE1 3.41Å; R142-F148 VanDerWaalsContact N-CZ 3.27Å; R142-E180 IonicContact CZ-OE1 3.43Å; R142-E180 VanDerWaalsContact CZ-OE1 3.23Å; R142-E180 IonicContact CZ-OE2 2.84Å; R142-E180 IonicContact NE-OE1 3.23Å; R142-E180 PolarHBondContact NE-OE1 3.19Å; R142-E180 VanDerWaalsContact NH2-CD 3.28Å; R142-E180 IonicContact NH2-OE1 3.89Å; R142-E180 PolarHBondContact NH2-OE1 2.89Å; R142-E180 IonicContact NH2-OE2 3.12Å; R142-E180 PolarHBondContact NH2-OE2 3.36Å; R142-N181 PolarHBondContact NH2-O 2.98Å; R142-Y183 HydrophobicContact CB-CE2 4.29Å; R142-Y183 WeakPolarHBondContact O-CE2 3.3Å; R142-Y183 PolarHBondContact O-OH 3.2Å; R142-Y186 HydrophobicContact CB-CD1 4.12Å; R142-Y186 HydrophobicContact CB-CE1 3.85Å
143	T	98.2	Very high	98	Very high	26 Å²	26	66.1 Å²	66.1	16%	0.16	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-171.3	174.3	75.2	0	0	0	0	110.8	H140 L141 D145 F148 Y186 A188	H140-T143 HydrophobicContact CB-CG2 3.89Å; H140-T143 WeakPolarHBondContact CB-OG1 3.34Å; H140-T143 PolarHBondContact O-N 3.3Å; H140-T143 PolarHBondContact O-OG1 3.21Å; L141-T143 WeakPolarHBondContact O-CG2 3.49Å; L141-T143 PolarHBondContact O-N 2.9Å; L141-T143 VanDerWaalsContact O-N 3.12Å; T143-D145 PolarHBondContact O-N 3.25Å; T143-D145 WeakPolarHBondContact OG1-CB 3.12Å; T143-D145 PolarHBondContact OG1-N 3.22Å; T143-D145 VanDerWaalsContact OG1-N 3.07Å; T143-F148 WeakPolarHBondContact O-CD1 3.28Å; T143-Y186 HydrophobicContact CG2-CE1 4.28Å; T143-A188 HydrophobicContact CG2-CB 3.99Å
144	S	98.1	Very high	98	Very high	102 Å²	102	68.1 Å²	68.1	71%	0.713	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	17.4	170.2	-54	0	0	0	0	113.7	P146	S144-P146 WeakPolarHBondContact O-CD 3.5Å
145	D	98.4	Very high	98	Very high	26 Å²	26	63.6 Å²	63.6	14%	0.139	35%	0.349	C	S	.	.			trans	-49.2	122.2	170.1	-176.6	-49.7	0	0	0	110	H140 T143 A147 F148 L149	H140-D145 HydrophobicContact CB-CB 4.14Å; H140-D145 PolarHBondContact N-OD2 3.42Å; H140-D145 IonicContact ND1-OD2 2.85Å; H140-D145 WeakPolarHBondContact O-CB 3.31Å; T143-D145 PolarHBondContact O-N 3.25Å; T143-D145 WeakPolarHBondContact OG1-CB 3.12Å; T143-D145 PolarHBondContact OG1-N 3.22Å; T143-D145 VanDerWaalsContact OG1-N 3.07Å; D145-A147 VanDerWaalsContact C-N 3.27Å; D145-A147 PolarHBondContact O-N 3.08Å; D145-A147 WeakPolarHBondContact OD1-CB 3.44Å; D145-A147 PolarHBondContact OD1-N 2.84Å; D145-F148 HydrophobicContact CB-CB 4.02Å; D145-F148 WeakPolarHBondContact O-CB 3.3Å; D145-F148 PolarHBondContact O-N 3.07Å; D145-F148 VanDerWaalsContact O-N 3.07Å; D145-F148 PolarHBondContact OD1-N 3.22Å; D145-L149 PolarHBondContact O-N 3.16Å
146	P	98.4	Very high	98.1	Very high	103 Å²	103	57.9 Å²	57.9	67%	0.669	33%	0.329	S	S	*	.	H	α-helix	trans	-56.6	-37.9	-176.1	-28	35.6	0	0	0	113.9	S144 F148 L149 E150	S144-P146 WeakPolarHBondContact O-CD 3.5Å; P146-F148 VanDerWaalsContact C-N 3.34Å; P146-L149 PolarHBondContact O-N 3.38Å; P146-E150 WeakPolarHBondContact O-CB 3.26Å; P146-E150 PolarHBondContact O-N 3.28Å
147	A	98.1	Very high	98.2	Very high	38 Å²	38	61.6 Å²	61.6	31%	0.314	34%	0.342	S	S	.	.	H	α-helix	trans	-69.7	-35.2	179.6	0	0	0	0	0	111.4	D145 A151	D145-A147 VanDerWaalsContact C-N 3.27Å; D145-A147 PolarHBondContact O-N 3.08Å; D145-A147 WeakPolarHBondContact OD1-CB 3.44Å; D145-A147 PolarHBondContact OD1-N 2.84Å; A147-A151 PolarHBondContact O-N 2.81Å
148	F	98.6	Very high	98.3	Very high	8 Å²	8	58 Å²	58	4%	0.035	32%	0.318	C	S	.	.	H	α-helix	trans	-68.7	-46.5	173.3	-179.1	-108.6	0	0	0	111.5	L129 L133 I139 L141 R142 T143 D145 P146 E150 A151 V152	L129-F148 HydrophobicContact CD1-CE2 4.41Å; L129-F148 HydrophobicContact CD2-CE2 4.14Å; L129-F148 HydrophobicContact CD2-CZ 4.35Å; L133-F148 HydrophobicContact CD1-CD2 4.4Å; L133-F148 HydrophobicContact CD1-CE2 4.25Å; I139-F148 HydrophobicContact CD1-CB 4.02Å; I139-F148 HydrophobicContact CD1-CD2 4.42Å; I139-F148 HydrophobicContact CG1-CB 4.06Å; L141-F148 HydrophobicContact CB-CE2 4.48Å; L141-F148 HydrophobicContact CD2-CD2 3.79Å; L141-F148 HydrophobicContact CD2-CE2 4.03Å; R142-F148 VanDerWaalsContact CA-CE1 3.41Å; R142-F148 VanDerWaalsContact N-CZ 3.27Å; T143-F148 WeakPolarHBondContact O-CD1 3.28Å; D145-F148 HydrophobicContact CB-CB 4.02Å; D145-F148 WeakPolarHBondContact O-CB 3.3Å; D145-F148 PolarHBondContact O-N 3.07Å; D145-F148 VanDerWaalsContact O-N 3.07Å; D145-F148 PolarHBondContact OD1-N 3.22Å; P146-F148 VanDerWaalsContact C-N 3.34Å; F148-E150 PolarHBondContact O-N 3.37Å; F148-A151 PolarHBondContact O-N 2.82Å; F148-V152 HydrophobicContact CD1-CG2 4.16Å; F148-V152 HydrophobicContact CD2-CG2 4.32Å; F148-V152 HydrophobicContact CE1-CG2 3.73Å; F148-V152 HydrophobicContact CE2-CG2 3.92Å; F148-V152 HydrophobicContact CG-CG2 4.44Å; F148-V152 HydrophobicContact CZ-CG2 3.6Å; F148-V152 VanDerWaalsContact O-CG2 3.3Å; F148-V152 WeakPolarHBondContact O-CG2 3.22Å; F148-V152 PolarHBondContact O-N 3.04Å
149	L	98.7	Very high	98.4	Very high	82 Å²	82	52.2 Å²	52.2	43%	0.429	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-39	179.6	-70	-176.3	0	0	0	112.6	D145 P146 V152 D153	D145-L149 PolarHBondContact O-N 3.16Å; P146-L149 PolarHBondContact O-N 3.38Å; L149-V152 PolarHBondContact O-N 2.64Å; L149-D153 VanDerWaalsContact O-CB 3.31Å; L149-D153 WeakPolarHBondContact O-CB 3.28Å; L149-D153 PolarHBondContact O-N 3.14Å
150	E	98.6	Very high	98.5	Very high	148 Å²	148	55 Å²	55	69%	0.692	30%	0.302	S	S	*	.	H	α-helix	trans	-61.3	-44.4	175.8	-177.3	175.4	-168.1	0	0	111.5	P146 F148 D153 S154	P146-E150 WeakPolarHBondContact O-CB 3.26Å; P146-E150 PolarHBondContact O-N 3.28Å; F148-E150 PolarHBondContact O-N 3.37Å; E150-D153 PolarHBondContact O-N 3.49Å; E150-S154 PolarHBondContact O-N 3.16Å
151	A	98.6	Very high	98.5	Very high	14 Å²	14	53.7 Å²	53.7	12%	0.116	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-43	176.8	0	0	0	0	0	112.1	W80 W132 L133 A147 F148 S154 W155	W80-A151 HydrophobicContact CH2-CB 3.76Å; W80-A151 HydrophobicContact CZ2-CB 4.22Å; W80-A151 WeakPolarHBondContact CZ2-O 3.41Å; W132-A151 HydrophobicContact CH2-CB 3.96Å; W132-A151 HydrophobicContact CZ3-CB 4.04Å; L133-A151 HydrophobicContact CD2-CB 3.55Å; A147-A151 PolarHBondContact O-N 2.81Å; F148-A151 PolarHBondContact O-N 2.82Å; A151-S154 PolarHBondContact O-N 3.43Å; A151-W155 PolarHBondContact O-N 3.38Å
152	V	98.8	Very high	98.5	Very high	19 Å²	19	56 Å²	56	12%	0.115	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-42.9	176.1	168.4	0	0	0	0	111.5	W80 P118 F148 L149 W155 F156	W80-V152 HydrophobicContact CH2-CG2 4.15Å; W80-V152 HydrophobicContact CZ3-CG2 3.84Å; P118-V152 HydrophobicContact CB-CG1 4.24Å; P118-V152 HydrophobicContact CB-CG2 4.06Å; P118-V152 HydrophobicContact CG-CG1 3.88Å; P118-V152 HydrophobicContact CG-CG2 3.84Å; F148-V152 HydrophobicContact CD1-CG2 4.16Å; F148-V152 HydrophobicContact CD2-CG2 4.32Å; F148-V152 HydrophobicContact CE1-CG2 3.73Å; F148-V152 HydrophobicContact CE2-CG2 3.92Å; F148-V152 HydrophobicContact CG-CG2 4.44Å; F148-V152 HydrophobicContact CZ-CG2 3.6Å; F148-V152 VanDerWaalsContact O-CG2 3.3Å; F148-V152 WeakPolarHBondContact O-CG2 3.22Å; F148-V152 PolarHBondContact O-N 3.04Å; L149-V152 PolarHBondContact O-N 2.64Å; V152-W155 PolarHBondContact O-N 2.96Å; V152-F156 HydrophobicContact CG1-CD2 3.63Å; V152-F156 HydrophobicContact CG1-CE2 3.69Å; V152-F156 WeakPolarHBondContact O-CD2 3.39Å; V152-F156 PolarHBondContact O-N 2.67Å
153	D	98.7	Very high	98.5	Very high	80 Å²	80	55 Å²	55	43%	0.428	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-43.5	177.5	-178	54.3	0	0	0	111.4	L149 E150 W155 F156 K157	L149-D153 VanDerWaalsContact O-CB 3.31Å; L149-D153 WeakPolarHBondContact O-CB 3.28Å; L149-D153 PolarHBondContact O-N 3.14Å; E150-D153 PolarHBondContact O-N 3.49Å; D153-W155 VanDerWaalsContact C-N 3.33Å; D153-W155 PolarHBondContact O-N 3.05Å; D153-F156 PolarHBondContact O-N 2.82Å; D153-K157 WeakPolarHBondContact O-CB 3.49Å; D153-K157 VanDerWaalsContact O-CG 3.32Å; D153-K157 WeakPolarHBondContact O-CG 3.35Å; D153-K157 PolarHBondContact O-N 2.85Å; D153-K157 WeakPolarHBondContact OD2-CE 3.4Å; D153-K157 IonicContact OD2-NZ 2.71Å; D153-K157 PolarHBondContact OD2-NZ 3.29Å
154	S	98.5	Very high	98.5	Very high	49 Å²	49	60.1 Å²	60.1	34%	0.343	33%	0.325	S	S	.	.	H	α-helix	trans	-57.2	-45	173.4	-179.4	0	0	0	0	112.1	Y90 E150 A151 K157	Y90-S154 PolarHBondContact OH-OG 3.07Å; E150-S154 PolarHBondContact O-N 3.16Å; A151-S154 PolarHBondContact O-N 3.43Å; S154-K157 PolarHBondContact O-N 3.08Å
155	W	98.8	Very high	98.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-49.6	177.7	167.1	-127.9	0	0	0	112.4	V78 W80 H83 Y90 F92 A151 V152 D153 K157 V158 L159	V78-W155 HydrophobicContact CG1-CZ2 4.03Å; W80-W155 HydrophobicContact CB-CD2 4.36Å; W80-W155 HydrophobicContact CB-CG 4.46Å; W80-W155 HydrophobicContact CB-CZ2 4.36Å; W80-W155 AromaticContact CD1-CD1 3.96Å; W80-W155 AromaticContact CD1-CD2 3.32Å; W80-W155 AromaticContact CD1-CE2 3.75Å; W80-W155 AromaticContact CD1-CE3 3.63Å; W80-W155 AromaticContact CD1-CG 3.5Å; W80-W155 VanDerWaalsContact CD1-CG 3.5Å; W80-W155 HydrophobicContact CD2-CB 4.08Å; W80-W155 AromaticContact CD2-CD1 3.83Å; W80-W155 HydrophobicContact CD2-CD2 4.43Å; W80-W155 AromaticContact CD2-CG 3.84Å; W80-W155 HydrophobicContact CD2-CG 3.84Å; W80-W155 AromaticContact CE2-CG 3.74Å; W80-W155 HydrophobicContact CG-CB 4.39Å; W80-W155 AromaticContact CG-CD1 3.72Å; W80-W155 AromaticContact CG-CD2 3.83Å; W80-W155 HydrophobicContact CG-CD2 3.83Å; W80-W155 AromaticContact CG-CE2 3.9Å; W80-W155 AromaticContact CG-CG 3.72Å; W80-W155 HydrophobicContact CG-CG 3.72Å; W80-W155 AromaticContact CG-NE1 3.81Å; W80-W155 HydrophobicContact CH2-CB 4.48Å; W80-W155 HydrophobicContact CZ2-CB 3.75Å; W80-W155 HydrophobicContact CZ2-CG 4.42Å; W80-W155 AromaticContact NE1-CD2 3.73Å; W80-W155 AromaticContact NE1-CE3 3.96Å; W80-W155 AromaticContact NE1-CG 3.54Å; H83-W155 HydrophobicContact CB-CH2 3.43Å; H83-W155 VanDerWaalsContact CB-CH2 3.43Å; H83-W155 HydrophobicContact CB-CZ2 4.41Å; H83-W155 HydrophobicContact CB-CZ3 3.78Å; H83-W155 AromaticContact CG-CH2 3.98Å; Y90-W155 HydrophobicContact CD1-CE3 4.27Å; Y90-W155 HydrophobicContact CD1-CZ3 4.13Å; Y90-W155 AromaticContact CE1-CE3 4Å; Y90-W155 HydrophobicContact CE1-CE3 4Å; Y90-W155 HydrophobicContact CE1-CZ3 4.32Å; F92-W155 HydrophobicContact CE1-CH2 4.41Å; F92-W155 HydrophobicContact CE2-CZ3 4.41Å; F92-W155 AromaticContact CZ-CH2 3.74Å; F92-W155 HydrophobicContact CZ-CH2 3.74Å; F92-W155 AromaticContact CZ-CZ3 3.89Å; F92-W155 HydrophobicContact CZ-CZ3 3.89Å; A151-W155 PolarHBondContact O-N 3.38Å; V152-W155 PolarHBondContact O-N 2.96Å; D153-W155 VanDerWaalsContact C-N 3.33Å; D153-W155 PolarHBondContact O-N 3.05Å; W155-K157 VanDerWaalsContact C-N 3.32Å; W155-K157 PolarHBondContact O-N 3.17Å; W155-V158 PolarHBondContact O-N 3.32Å; W155-L159 HydrophobicContact CD2-CB 4.43Å; W155-L159 HydrophobicContact CH2-CB 4.1Å; W155-L159 HydrophobicContact CH2-CD1 4.15Å; W155-L159 HydrophobicContact CH2-CD2 4.47Å; W155-L159 HydrophobicContact CH2-CG 4.46Å; W155-L159 HydrophobicContact CZ2-CB 3.95Å; W155-L159 HydrophobicContact CZ2-CD1 4.13Å; W155-L159 HydrophobicContact CZ2-CD2 3.68Å; W155-L159 HydrophobicContact CZ2-CG 4.12Å; W155-L159 HydrophobicContact CZ3-CB 4.41Å; W155-L159 PolarHBondContact O-N 3.22Å
156	F	98.8	Very high	98.6	Very high	35 Å²	35	58.9 Å²	58.9	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-69.6	-28.4	-178.5	-80.1	-63.2	0	0	0	113.1	P116 P118 V152 D153 V158 L159 L160	P116-F156 HydrophobicContact CB-CE1 4.15Å; P116-F156 HydrophobicContact CG-CE1 4.29Å; P118-F156 HydrophobicContact CB-CE2 3.97Å; P118-F156 HydrophobicContact CB-CZ 4.3Å; P118-F156 HydrophobicContact CG-CE2 4.13Å; V152-F156 HydrophobicContact CG1-CD2 3.63Å; V152-F156 HydrophobicContact CG1-CE2 3.69Å; V152-F156 WeakPolarHBondContact O-CD2 3.39Å; V152-F156 PolarHBondContact O-N 2.67Å; D153-F156 PolarHBondContact O-N 2.82Å; F156-V158 PolarHBondContact O-N 3.14Å; F156-L159 HydrophobicContact CD1-CD2 4.25Å; F156-L159 HydrophobicContact CE1-CD2 4.11Å; F156-L159 PolarHBondContact O-N 2.98Å; F156-L160 HydrophobicContact CB-CD1 3.98Å; F156-L160 HydrophobicContact CB-CG 4.03Å; F156-L160 HydrophobicContact CD1-CD1 4.41Å; F156-L160 HydrophobicContact CD1-CD2 3.9Å; F156-L160 HydrophobicContact CD1-CG 3.94Å; F156-L160 HydrophobicContact CG-CG 4.42Å; F156-L160 VanDerWaalsContact O-CB 3.28Å; F156-L160 WeakPolarHBondContact O-CB 3.49Å; F156-L160 VanDerWaalsContact O-CG 3.26Å; F156-L160 WeakPolarHBondContact O-CG 3.47Å; F156-L160 PolarHBondContact O-N 2.9Å
157	K	98.7	Very high	98.6	Very high	136 Å²	136	55.4 Å²	55.4	59%	0.591	29%	0.289	S	S	*	.	H	α-helix	trans	-58.4	-25	169	-80.9	168.4	174.1	163.4	0	113	D153 S154 W155 P161	D153-K157 WeakPolarHBondContact O-CB 3.49Å; D153-K157 VanDerWaalsContact O-CG 3.32Å; D153-K157 WeakPolarHBondContact O-CG 3.35Å; D153-K157 PolarHBondContact O-N 2.85Å; D153-K157 WeakPolarHBondContact OD2-CE 3.4Å; D153-K157 IonicContact OD2-NZ 2.71Å; D153-K157 PolarHBondContact OD2-NZ 3.29Å; S154-K157 PolarHBondContact O-N 3.08Å; W155-K157 VanDerWaalsContact C-N 3.32Å; W155-K157 PolarHBondContact O-N 3.17Å; K157-P161 VanDerWaalsContact O-CD 3.28Å; K157-P161 WeakPolarHBondContact O-CD 3.48Å; K157-P161 VanDerWaalsContact O-CG 3.3Å; K157-P161 WeakPolarHBondContact O-CG 3.36Å
158	V	98.8	Very high	98.6	Very high	38 Å²	38	54.5 Å²	54.5	23%	0.23	28%	0.278	C	S	.	.	H	α-helix	trans	-93	-43.3	175	177.2	0	0	0	0	112.4	Y90 F92 W155 F156 K162	Y90-V158 HydrophobicContact CD1-CB 4.34Å; Y90-V158 HydrophobicContact CD1-CG1 3.91Å; Y90-V158 HydrophobicContact CD1-CG2 4.43Å; Y90-V158 HydrophobicContact CD2-CG1 4.29Å; Y90-V158 HydrophobicContact CD2-CG2 4.22Å; Y90-V158 HydrophobicContact CE1-CB 4.03Å; Y90-V158 HydrophobicContact CE1-CG1 4.12Å; Y90-V158 HydrophobicContact CE1-CG2 3.87Å; Y90-V158 HydrophobicContact CE2-CG2 3.67Å; Y90-V158 HydrophobicContact CG-CG1 3.98Å; Y90-V158 VanDerWaalsContact CZ-CG2 3.46Å; F92-V158 HydrophobicContact CE2-CG1 4.13Å; W155-V158 PolarHBondContact O-N 3.32Å; F156-V158 PolarHBondContact O-N 3.14Å; V158-K162 WeakPolarHBondContact O-CG 3.41Å
159	L	98.8	Very high	98.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-72	-47.2	-176.2	-179	64.7	0	0	0	112.7	V78 F92 L98 P116 W155 F156 K162 I163	V78-L159 HydrophobicContact CG1-CD1 4.07Å; V78-L159 HydrophobicContact CG1-CD2 4.24Å; F92-L159 HydrophobicContact CE1-CD1 4.31Å; F92-L159 HydrophobicContact CZ-CD1 4.43Å; L98-L159 HydrophobicContact CD2-CD1 3.73Å; P116-L159 HydrophobicContact CB-CD2 3.63Å; W155-L159 HydrophobicContact CD2-CB 4.43Å; W155-L159 HydrophobicContact CH2-CB 4.1Å; W155-L159 HydrophobicContact CH2-CD1 4.15Å; W155-L159 HydrophobicContact CH2-CD2 4.47Å; W155-L159 HydrophobicContact CH2-CG 4.46Å; W155-L159 HydrophobicContact CZ2-CB 3.95Å; W155-L159 HydrophobicContact CZ2-CD1 4.13Å; W155-L159 HydrophobicContact CZ2-CD2 3.68Å; W155-L159 HydrophobicContact CZ2-CG 4.12Å; W155-L159 HydrophobicContact CZ3-CB 4.41Å; W155-L159 PolarHBondContact O-N 3.22Å; F156-L159 HydrophobicContact CD1-CD2 4.25Å; F156-L159 HydrophobicContact CE1-CD2 4.11Å; F156-L159 PolarHBondContact O-N 2.98Å; L159-K162 WeakPolarHBondContact O-CB 3.43Å; L159-K162 PolarHBondContact O-N 3.05Å; L159-K162 VanDerWaalsContact O-N 3.07Å; L159-I163 HydrophobicContact CD1-CG2 4.17Å; L159-I163 PolarHBondContact O-N 3Å
160	L	98.5	Very high	98.4	Very high	82 Å²	82	58.3 Å²	58.3	43%	0.429	30%	0.295	S	S	.	.	H	α-helix	trans	-60.5	-44.7	-171.2	-63.6	179.5	0	0	0	113	F156 K162 I163 Y164	F156-L160 HydrophobicContact CB-CD1 3.98Å; F156-L160 HydrophobicContact CB-CG 4.03Å; F156-L160 HydrophobicContact CD1-CD1 4.41Å; F156-L160 HydrophobicContact CD1-CD2 3.9Å; F156-L160 HydrophobicContact CD1-CG 3.94Å; F156-L160 HydrophobicContact CG-CG 4.42Å; F156-L160 VanDerWaalsContact O-CB 3.28Å; F156-L160 WeakPolarHBondContact O-CB 3.49Å; F156-L160 VanDerWaalsContact O-CG 3.26Å; F156-L160 WeakPolarHBondContact O-CG 3.47Å; F156-L160 PolarHBondContact O-N 2.9Å; L160-K162 PolarHBondContact O-N 3.37Å; L160-I163 HydrophobicContact CD2-CD1 3.95Å; L160-I163 HydrophobicContact CD2-CG1 4.48Å; L160-I163 WeakPolarHBondContact O-CG1 3.4Å; L160-I163 PolarHBondContact O-N 3.36Å; L160-Y164 WeakPolarHBondContact O-CB 3.3Å; L160-Y164 PolarHBondContact O-N 3.03Å
161	P	98.6	Very high	98.2	Very high	84 Å²	84	53.5 Å²	53.5	55%	0.545	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-29.1	176.4	-25.6	36.4	0	0	0	113.9	K157 P165	K157-P161 VanDerWaalsContact O-CD 3.28Å; K157-P161 WeakPolarHBondContact O-CD 3.48Å; K157-P161 VanDerWaalsContact O-CG 3.3Å; K157-P161 WeakPolarHBondContact O-CG 3.36Å; P161-P165 WeakPolarHBondContact O-CD 3.45Å
162	K	98.6	Very high	98.2	Very high	81 Å²	81	53.4 Å²	53.4	35%	0.352	29%	0.286	S	S	.	.	H	α-helix	trans	-72.8	-37.2	178.4	-65.2	176.2	-177.9	-64.1	0	112.2	F92 I99 V158 L159 L160	F92-K162 HydrophobicContact CD1-CD 4.25Å; F92-K162 HydrophobicContact CD2-CD 4.13Å; F92-K162 HydrophobicContact CE1-CD 4Å; F92-K162 HydrophobicContact CE2-CD 3.88Å; F92-K162 VanDerWaalsContact CE2-CE 3.5Å; F92-K162 HydrophobicContact CG-CD 4.3Å; F92-K162 HydrophobicContact CZ-CD 3.79Å; I99-K162 HydrophobicContact CD1-CB 4.32Å; I99-K162 WeakPolarHBondContact CD1-O 3.45Å; V158-K162 WeakPolarHBondContact O-CG 3.41Å; L159-K162 WeakPolarHBondContact O-CB 3.43Å; L159-K162 PolarHBondContact O-N 3.05Å; L159-K162 VanDerWaalsContact O-N 3.07Å; L160-K162 PolarHBondContact O-N 3.37Å
163	I	98.3	Very high	98.2	Very high	3 Å²	3	53 Å²	53	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-89.9	-17	-179.3	65.7	167.4	0	0	0	113.2	L98 L114 L159 L160 F166 L167 I174 I177	L98-I163 HydrophobicContact CD2-CG2 3.96Å; L114-I163 HydrophobicContact CD2-CB 4.35Å; L114-I163 HydrophobicContact CD2-CD1 3.5Å; L114-I163 HydrophobicContact CD2-CG2 4.11Å; L159-I163 HydrophobicContact CD1-CG2 4.17Å; L159-I163 PolarHBondContact O-N 3Å; L160-I163 HydrophobicContact CD2-CD1 3.95Å; L160-I163 HydrophobicContact CD2-CG1 4.48Å; L160-I163 WeakPolarHBondContact O-CG1 3.4Å; L160-I163 PolarHBondContact O-N 3.36Å; I163-F166 WeakPolarHBondContact O-CA 3.34Å; I163-F166 WeakPolarHBondContact O-CB 3.32Å; I163-F166 PolarHBondContact O-N 3.32Å; I163-L167 PolarHBondContact O-N 3.21Å; I163-I174 HydrophobicContact CB-CD1 4.13Å; I163-I177 HydrophobicContact CD1-CD1 4.15Å
164	Y	98.5	Very high	98.2	Very high	134 Å²	134	49.4 Å²	49.4	53%	0.525	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-54.5	-44.7	-178	-178.3	-94.4	0	0	0	113.7	L160 F166 L167 N170	L160-Y164 WeakPolarHBondContact O-CB 3.3Å; L160-Y164 PolarHBondContact O-N 3.03Å; Y164-F166 PolarHBondContact O-N 3.31Å; Y164-L167 HydrophobicContact CD2-CD1 3.88Å; Y164-L167 HydrophobicContact CE2-CD1 4.29Å; Y164-L167 WeakPolarHBondContact O-CG 3.45Å; Y164-L167 PolarHBondContact O-N 3.11Å; Y164-N170 VanDerWaalsContact CE1-ND2 3.33Å; Y164-N170 WeakPolarHBondContact CE1-ND2 3.16Å; Y164-N170 VanDerWaalsContact CZ-ND2 3.31Å; Y164-N170 PolarHBondContact O-ND2 2.67Å
165	P	98.4	Very high	98.2	Very high	72 Å²	72	47.8 Å²	47.8	47%	0.468	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-64.2	-20.3	174.8	-21.2	34.4	0	0	0	113.6	P161	P161-P165 WeakPolarHBondContact O-CD 3.45Å
166	F	98.6	Very high	98.2	Very high	30 Å²	30	49.5 Å²	49.5	13%	0.132	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-89.3	-3.9	-178.1	-70.5	-92.7	0	0	0	113.3	I99 L102 N103 I163 Y164 G172 N173 I174	I99-F166 HydrophobicContact CD1-CD2 4.15Å; I99-F166 HydrophobicContact CD1-CE2 3.74Å; I99-F166 HydrophobicContact CD1-CZ 4.38Å; I99-F166 HydrophobicContact CG2-CE2 3.91Å; I99-F166 HydrophobicContact CG2-CZ 3.6Å; L102-F166 HydrophobicContact CB-CD1 3.74Å; L102-F166 HydrophobicContact CB-CE1 3.87Å; L102-F166 HydrophobicContact CB-CG 4.44Å; L102-F166 HydrophobicContact CD1-CB 4.07Å; L102-F166 HydrophobicContact CD1-CD1 3.95Å; L102-F166 HydrophobicContact CD1-CD2 4.19Å; L102-F166 HydrophobicContact CD1-CG 3.79Å; L102-F166 HydrophobicContact CG-CD1 4.35Å; N103-F166 WeakPolarHBondContact OD1-CE1 3.34Å; I163-F166 WeakPolarHBondContact O-CA 3.34Å; I163-F166 WeakPolarHBondContact O-CB 3.32Å; I163-F166 PolarHBondContact O-N 3.32Å; Y164-F166 PolarHBondContact O-N 3.31Å; F166-G172 CarbonylContact O-C 3.6Å; F166-G172 VanDerWaalsContact O-CA 3.28Å; F166-G172 WeakPolarHBondContact O-CA 3.42Å; F166-N173 PolarHBondContact O-N 3.13Å; F166-I174 HydrophobicContact CB-CD1 3.55Å; F166-I174 HydrophobicContact CB-CG1 4.11Å; F166-I174 WeakPolarHBondContact O-CB 3.25Å; F166-I174 WeakPolarHBondContact O-CG1 3.19Å; F166-I174 PolarHBondContact O-N 3.12Å
167	L	98.6	Very high	98.2	Very high	31 Å²	31	51.3 Å²	51.3	16%	0.162	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-62.3	141	170.4	-57.5	-179.4	0	0	0	109.9	I163 Y164 H169 N170 G171 G172 I174 I177	I163-L167 PolarHBondContact O-N 3.21Å; Y164-L167 HydrophobicContact CD2-CD1 3.88Å; Y164-L167 HydrophobicContact CE2-CD1 4.29Å; Y164-L167 WeakPolarHBondContact O-CG 3.45Å; Y164-L167 PolarHBondContact O-N 3.11Å; L167-H169 VanDerWaalsContact C-N 3.28Å; L167-H169 VanDerWaalsContact CD1-CE1 3.49Å; L167-H169 WeakPolarHBondContact CD1-CE1 3.35Å; L167-H169 PolarHBondContact O-N 2.99Å; L167-N170 HydrophobicContact CB-CB 4.38Å; L167-N170 CarbonylContact O-C 3.6Å; L167-N170 WeakPolarHBondContact O-CA 3.25Å; L167-N170 WeakPolarHBondContact O-CB 3.26Å; L167-N170 PolarHBondContact O-N 3.32Å; L167-G171 PolarHBondContact O-N 3.12Å; L167-G172 PolarHBondContact O-N 3.16Å; L167-I174 HydrophobicContact CD2-CB 4.29Å; L167-I174 HydrophobicContact CD2-CG2 4.14Å; L167-I177 HydrophobicContact CD2-CD1 3.76Å
168	Y	98.3	Very high	98.2	Very high	18 Å²	18	47.6 Å²	47.6	7%	0.071	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-56	-43	-173.9	-170.4	-93.8	0	0	0	112.7	R24 F26 L37 D38 L111 N170 G171 I174 I175	R24-Y168 HydrophobicContact CB-CD1 4.1Å; R24-Y168 HydrophobicContact CB-CE1 3.86Å; R24-Y168 HydrophobicContact CG-CE1 4.44Å; F26-Y168 HydrophobicContact CB-CD1 4.33Å; L37-Y168 HydrophobicContact CD1-CD1 4.24Å; L37-Y168 HydrophobicContact CD1-CD2 4.32Å; L37-Y168 HydrophobicContact CD1-CE1 3.61Å; L37-Y168 HydrophobicContact CD1-CE2 3.68Å; L37-Y168 WeakPolarHBondContact CD1-OH 3.46Å; L37-Y168 HydrophobicContact CG-CE1 4.38Å; D38-Y168 WeakPolarHBondContact OD1-CE1 3.28Å; D38-Y168 PolarHBondContact OD2-OH 2.91Å; L111-Y168 HydrophobicContact CD2-CD2 3.86Å; L111-Y168 HydrophobicContact CD2-CE2 3.61Å; Y168-N170 PolarHBondContact O-N 3.41Å; Y168-G171 PolarHBondContact O-N 2.75Å; Y168-G171 VanDerWaalsContact O-N 3.09Å; Y168-I174 WeakPolarHBondContact CB-O 3.48Å; Y168-I174 PolarHBondContact N-O 2.61Å; Y168-I175 HydrophobicContact CD2-CG2 3.67Å; Y168-I175 HydrophobicContact CE2-CG2 4.37Å; Y168-I175 HydrophobicContact CG-CG2 3.94Å
169	H	95.8	Very high	98.2	Very high	109 Å²	109	52 Å²	52	51%	0.505	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-66	-21.6	176.9	72.7	-91	0	0	0	113.9	R24 L167 G171	R24-H169 WeakPolarHBondContact O-CA 3.33Å; L167-H169 VanDerWaalsContact C-N 3.28Å; L167-H169 VanDerWaalsContact CD1-CE1 3.49Å; L167-H169 WeakPolarHBondContact CD1-CE1 3.35Å; L167-H169 PolarHBondContact O-N 2.99Å; H169-G171 VanDerWaalsContact C-N 3.34Å
170	N	96.8	Very high	98.2	Very high	61 Å²	61	53.4 Å²	53.4	33%	0.326	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-92.5	7.1	176.1	-69	-30.3	0	0	0	112.9	Y164 L167 Y168	Y164-N170 VanDerWaalsContact CE1-ND2 3.33Å; Y164-N170 WeakPolarHBondContact CE1-ND2 3.16Å; Y164-N170 VanDerWaalsContact CZ-ND2 3.31Å; Y164-N170 PolarHBondContact O-ND2 2.67Å; L167-N170 HydrophobicContact CB-CB 4.38Å; L167-N170 CarbonylContact O-C 3.6Å; L167-N170 WeakPolarHBondContact O-CA 3.25Å; L167-N170 WeakPolarHBondContact O-CB 3.26Å; L167-N170 PolarHBondContact O-N 3.32Å; Y168-N170 PolarHBondContact O-N 3.41Å
171	G	96.1	Very high	98.2	Very high	47 Å²	47	49.6 Å²	49.6	49%	0.485	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	-1.6	179.6	0	0	0	0	0	114.8	R24 L167 Y168 H169	R24-G171 VanDerWaalsContact NH1-CA 3.33Å; R24-G171 PolarHBondContact NH1-O 3.27Å; L167-G171 PolarHBondContact O-N 3.12Å; Y168-G171 PolarHBondContact O-N 2.75Å; Y168-G171 VanDerWaalsContact O-N 3.09Å; H169-G171 VanDerWaalsContact C-N 3.34Å
172	G	97.8	Very high	98.2	Very high	13 Å²	13	51.7 Å²	51.7	13%	0.134	27%	0.274	C	S	.	.	S	Bend	trans	-86.3	-160.5	176.3	0	0	0	0	0	114.7	R24 F166 L167	R24-G172 PolarHBondContact NH2-O 3.2Å; F166-G172 CarbonylContact O-C 3.6Å; F166-G172 VanDerWaalsContact O-CA 3.28Å; F166-G172 WeakPolarHBondContact O-CA 3.42Å; L167-G172 PolarHBondContact O-N 3.16Å
173	N	98.5	Very high	98.1	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.053	28%	0.277	C	S	.	.	S	Bend	trans	-117.5	1.2	-177.5	60.6	-20.9	0	0	0	114.6	L102 A106 L110 L111 V112 F166 I175	L102-N173 PolarHBondContact O-ND2 2.85Å; A106-N173 PolarHBondContact N-ND2 2.8Å; L110-N173 PolarHBondContact O-ND2 2.87Å; L111-N173 CarbonylContact C-O 3.45Å; L111-N173 WeakPolarHBondContact CA-O 3.45Å; V112-N173 WeakPolarHBondContact CG2-ND2 3.37Å; V112-N173 PolarHBondContact N-O 3.29Å; F166-N173 PolarHBondContact O-N 3.13Å; N173-I175 PolarHBondContact O-N 3.36Å
174	I	98.9	Very high	98.1	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.026	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	111.1	177.4	-57.2	166.4	0	0	0	110.2	L102 V112 L114 I163 F166 L167 Y168 I177	L102-I174 HydrophobicContact CD1-CD1 4.34Å; L102-I174 HydrophobicContact CD2-CD1 4.12Å; L102-I174 HydrophobicContact CD2-CG1 3.97Å; V112-I174 HydrophobicContact CB-CG1 4.04Å; V112-I174 HydrophobicContact CG1-CG1 3.92Å; V112-I174 WeakPolarHBondContact O-CA 3.33Å; L114-I174 HydrophobicContact CB-CG2 4Å; L114-I174 HydrophobicContact CD2-CD1 4.07Å; I163-I174 HydrophobicContact CB-CD1 4.13Å; F166-I174 HydrophobicContact CB-CD1 3.55Å; F166-I174 HydrophobicContact CB-CG1 4.11Å; F166-I174 WeakPolarHBondContact O-CB 3.25Å; F166-I174 WeakPolarHBondContact O-CG1 3.19Å; F166-I174 PolarHBondContact O-N 3.12Å; L167-I174 HydrophobicContact CD2-CB 4.29Å; L167-I174 HydrophobicContact CD2-CG2 4.14Å; Y168-I174 WeakPolarHBondContact CB-O 3.48Å; Y168-I174 PolarHBondContact N-O 2.61Å; I174-I177 HydrophobicContact CG2-CD1 4.45Å; I174-I177 HydrophobicContact CG2-CG1 3.91Å
175	I	98.8	Very high	97.9	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.077	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-24.7	-179.3	52.5	166.3	0	0	0	113.1	F26 L37 F42 Y44 L111 V112 Y168 N173	F26-I175 HydrophobicContact CB-CB 4.48Å; F26-I175 HydrophobicContact CB-CG2 4.42Å; F26-I175 HydrophobicContact CD1-CB 3.96Å; F26-I175 WeakPolarHBondContact CD1-O 3.33Å; F26-I175 HydrophobicContact CD2-CB 3.9Å; F26-I175 HydrophobicContact CD2-CG2 3.9Å; F26-I175 HydrophobicContact CE1-CB 4.08Å; F26-I175 WeakPolarHBondContact CE1-O 3.34Å; F26-I175 HydrophobicContact CE2-CB 4Å; F26-I175 HydrophobicContact CE2-CD1 3.92Å; F26-I175 HydrophobicContact CE2-CG2 4.27Å; F26-I175 HydrophobicContact CG-CB 3.84Å; F26-I175 HydrophobicContact CG-CG2 4.09Å; F26-I175 HydrophobicContact CZ-CB 4.1Å; F26-I175 HydrophobicContact CZ-CD1 3.91Å; F26-I175 HydrophobicContact CZ-CG1 4.42Å; L37-I175 HydrophobicContact CD1-CG2 4.32Å; F42-I175 HydrophobicContact CE1-CD1 4.21Å; Y44-I175 HydrophobicContact CD1-CD1 4.41Å; L111-I175 HydrophobicContact CB-CD1 3.92Å; L111-I175 HydrophobicContact CB-CG1 4.17Å; L111-I175 HydrophobicContact CB-CG2 4.2Å; L111-I175 HydrophobicContact CD1-CD1 4.15Å; L111-I175 HydrophobicContact CD1-CG2 4.18Å; L111-I175 HydrophobicContact CD2-CG2 3.87Å; L111-I175 HydrophobicContact CG-CG2 4.3Å; V112-I175 VanDerWaalsContact O-CG1 3.29Å; V112-I175 WeakPolarHBondContact O-CG1 3.38Å; V112-I175 PolarHBondContact O-N 3.34Å; Y168-I175 HydrophobicContact CD2-CG2 3.67Å; Y168-I175 HydrophobicContact CE2-CG2 4.37Å; Y168-I175 HydrophobicContact CG-CG2 3.94Å; N173-I175 PolarHBondContact O-N 3.36Å
176	S	98.7	Very high	97.8	Very high	36 Å²	36	55.7 Å²	55.7	25%	0.252	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	154.2	177.3	59.1	0	0	0	0	111.7	L114	L114-S176 PolarHBondContact N-O 3.24Å
177	I	98.8	Very high	97.3	Very high	72 Å²	72	63.5 Å²	63.5	37%	0.369	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.3	178.6	-60.8	180	0	0	0	108.2	L114 P116 I163 L167 I174	L114-I177 HydrophobicContact CB-CG1 4.35Å; L114-I177 CarbonylContact O-C 3.47Å; L114-I177 VanDerWaalsContact O-CA 3.31Å; L114-I177 WeakPolarHBondContact O-CA 3.42Å; P116-I177 HydrophobicContact CG-CG2 3.69Å; I163-I177 HydrophobicContact CD1-CD1 4.15Å; L167-I177 HydrophobicContact CD2-CD1 3.76Å; I174-I177 HydrophobicContact CG2-CD1 4.45Å; I174-I177 HydrophobicContact CG2-CG1 3.91Å
178	Q	98.8	Very high	96	Very high	59 Å²	59	67.1 Å²	67.1	28%	0.276	39%	0.389	S	S	.	.			trans	-83.8	133.2	170.1	-170	-179.1	-71.3	0	0	110.4	L114 R115 P116 E180 N181	L114-Q178 PolarHBondContact O-N 3Å; R115-Q178 HydrophobicContact CB-CB 4.33Å; R115-Q178 HydrophobicContact CG-CB 3.85Å; R115-Q178 VanDerWaalsContact NE-CD 3.29Å; R115-Q178 VanDerWaalsContact NE-NE2 3.14Å; P116-Q178 WeakPolarHBondContact CD-O 3.45Å; Q178-E180 PolarHBondContact NE2-O 3Å; Q178-N181 PolarHBondContact NE2-OD1 3.15Å
179	V	98.7	Very high	95.9	Very high	129 Å²	129	69.6 Å²	69.6	78%	0.782	41%	0.405	S	S	*	.			trans	-95.6	128.8	171.1	-179.4	0	0	0	0	108.6
180	E	98.4	Very high	95.9	Very high	31 Å²	31	67.5 Å²	67.5	15%	0.145	40%	0.399	C	S	.	.	S	Bend	trans	61	-165.8	-176.5	-132.8	-79.5	149.7	0	0	112	G117 R142 Q178 Y183	G117-E180 WeakPolarHBondContact O-CA 3.46Å; G117-E180 PolarHBondContact O-N 3.19Å; R142-E180 IonicContact CZ-OE1 3.43Å; R142-E180 VanDerWaalsContact CZ-OE1 3.23Å; R142-E180 IonicContact CZ-OE2 2.84Å; R142-E180 IonicContact NE-OE1 3.23Å; R142-E180 PolarHBondContact NE-OE1 3.19Å; R142-E180 VanDerWaalsContact NH2-CD 3.28Å; R142-E180 IonicContact NH2-OE1 3.89Å; R142-E180 PolarHBondContact NH2-OE1 2.89Å; R142-E180 IonicContact NH2-OE2 3.12Å; R142-E180 PolarHBondContact NH2-OE2 3.36Å; Q178-E180 PolarHBondContact NE2-O 3Å; E180-Y183 HydrophobicContact CG-CD2 4.27Å; E180-Y183 WeakPolarHBondContact OE2-CA 3.41Å; E180-Y183 VanDerWaalsContact OE2-CB 3.25Å; E180-Y183 WeakPolarHBondContact OE2-CB 3.38Å; E180-Y183 PolarHBondContact OE2-N 3.26Å
181	N	98.7	Very high	95.9	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.011	40%	0.404	C	S	.	.	S	Bend	trans	-151.6	112.4	176.5	-176.2	85.9	0	0	0	112	Y77 R115 Y119 C121 R142 Q178 Y183	Y77-N181 PolarHBondContact OH-OD1 3.14Å; R115-N181 PolarHBondContact NH2-OD1 3.12Å; Y119-N181 HydrophobicContact CD1-CB 4Å; Y119-N181 HydrophobicContact CE1-CB 4.4Å; Y119-N181 WeakPolarHBondContact O-CB 3.38Å; C121-N181 WeakPolarHBondContact CB-ND2 3.25Å; R142-N181 PolarHBondContact NH2-O 2.98Å; Q178-N181 PolarHBondContact NE2-OD1 3.15Å; N181-Y183 PolarHBondContact O-N 2.89Å
182	E	97.7	Very high	95.9	Very high	127 Å²	127	69.1 Å²	69.1	59%	0.593	40%	0.399	S	S	*	.	S	Bend	trans	52.9	39.4	174.2	-60.2	-177.3	147.8	0	0	112.8	G184 S185	E182-G184 PolarHBondContact O-N 3.32Å; E182-G184 VanDerWaalsContact O-N 3.12Å; E182-S185 WeakPolarHBondContact O-CB 3.46Å; E182-S185 PolarHBondContact O-N 2.92Å
183	Y	97.8	Very high	95.8	Very high	105 Å²	105	72.6 Å²	72.6	41%	0.412	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-56.4	-31.2	-177.2	-165.9	-117.4	0	0	0	113.4	R142 E180 N181 S185 Y186	R142-Y183 HydrophobicContact CB-CE2 4.29Å; R142-Y183 WeakPolarHBondContact O-CE2 3.3Å; R142-Y183 PolarHBondContact O-OH 3.2Å; E180-Y183 HydrophobicContact CG-CD2 4.27Å; E180-Y183 WeakPolarHBondContact OE2-CA 3.41Å; E180-Y183 VanDerWaalsContact OE2-CB 3.25Å; E180-Y183 WeakPolarHBondContact OE2-CB 3.38Å; E180-Y183 PolarHBondContact OE2-N 3.26Å; N181-Y183 PolarHBondContact O-N 2.89Å; Y183-S185 PolarHBondContact O-N 2.71Å; Y183-S185 VanDerWaalsContact O-N 3.13Å; Y183-Y186 HydrophobicContact CD2-CD1 4.37Å; Y183-Y186 AromaticContact CE2-CD1 3.69Å; Y183-Y186 HydrophobicContact CE2-CD1 3.69Å; Y183-Y186 HydrophobicContact CE2-CG 4.36Å; Y183-Y186 WeakPolarHBondContact O-CB 3.49Å; Y183-Y186 PolarHBondContact O-N 2.93Å
184	G	97.3	Very high	95.6	Very high	87 Å²	87	76.8 Å²	76.8	90%	0.897	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-61.9	-17.8	175.3	0	0	0	0	0	114.6	E182	E182-G184 PolarHBondContact O-N 3.32Å; E182-G184 VanDerWaalsContact O-N 3.12Å
185	S	95.8	Very high	95.3	Very high	100 Å²	100	81.9 Å²	81.9	70%	0.699	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-87.3	-9.4	173.8	-56.3	0	0	0	0	112.7	E182 Y183	E182-S185 WeakPolarHBondContact O-CB 3.46Å; E182-S185 PolarHBondContact O-N 2.92Å; Y183-S185 PolarHBondContact O-N 2.71Å; Y183-S185 VanDerWaalsContact O-N 3.13Å
186	Y	95.2	Very high	95.1	Very high	82 Å²	82	87.1 Å²	87.1	32%	0.322	50%	0.499	S	S	.	.			trans	-89.7	131.8	-179.3	-169.1	-115.1	0	0	0	110.9	L141 R142 T143 Y183 A188	L141-Y186 PolarHBondContact O-OH 2.94Å; R142-Y186 HydrophobicContact CB-CD1 4.12Å; R142-Y186 HydrophobicContact CB-CE1 3.85Å; T143-Y186 HydrophobicContact CG2-CE1 4.28Å; Y183-Y186 HydrophobicContact CD2-CD1 4.37Å; Y183-Y186 AromaticContact CE2-CD1 3.69Å; Y183-Y186 HydrophobicContact CE2-CD1 3.69Å; Y183-Y186 HydrophobicContact CE2-CG 4.36Å; Y183-Y186 WeakPolarHBondContact O-CB 3.49Å; Y183-Y186 PolarHBondContact O-N 2.93Å; Y186-A188 HydrophobicContact CD1-CB 4.11Å; Y186-A188 HydrophobicContact CE1-CB 4Å
187	K	87.4	Confident	94.8	Very high	195 Å²	195	91.3 Å²	91.3	85%	0.848	52%	0.52	S	S	*	.			trans	-100.5	95.9	171.8	-64	-176.7	-178.4	-179.3	0	107.4
188	A	72.8	Confident	94.4	Very high	107 Å²	107	93.1 Å²	93.1	88%	0.884	53%	0.533	S	S	*	.			trans	-71.6	0	172.9	0	0	0	0	0	111.4	T143 Y186	T143-A188 HydrophobicContact CG2-CB 3.99Å; Y186-A188 HydrophobicContact CD1-CB 4.11Å; Y186-A188 HydrophobicContact CE1-CB 4Å

Retrieved 188 of 188 residues in 180 ms (Link to these results)

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