A0A087Y4M9_POEFO Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB (A0A3Q3LFI8), UniProt , Accession A0A087Y4M9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 147 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	83.7	Confident	95.4	Very high	193 Å²	193	74.3 Å²	74.3	95%	0.951	36%	0.36	S	S	*	.				0	-45.5	0	-67.7	-179.8	-152.5	0	0	111.3	L3 K4 R5	M1-L3 PolarHBondContact O-N 2.85Å; M1-K4 PolarHBondContact O-N 3.44Å; M1-R5 PolarHBondContact O-N 3.25Å; M1-R5 VanDerWaalsContact O-N 3.12Å
2	A	94.3	Very high	95.3	Very high	8 Å²	8	72.3 Å²	72.3	7%	0.066	35%	0.352	C	S	.	.	H	α-helix	trans	-48.9	-54.5	174.9	0	0	0	0	0	114.2	K4 R5 I6 F31 T58 Y60	A2-K4 PolarHBondContact O-N 2.84Å; A2-R5 WeakPolarHBondContact O-CA 3.49Å; A2-R5 WeakPolarHBondContact O-CB 3.49Å; A2-R5 PolarHBondContact O-N 3.32Å; A2-I6 WeakPolarHBondContact O-CG1 3.25Å; A2-I6 PolarHBondContact O-N 2.67Å; A2-F31 HydrophobicContact CB-CE1 3.93Å; A2-F31 HydrophobicContact CB-CZ 4.06Å; A2-T58 WeakPolarHBondContact CB-O 3.42Å; A2-Y60 WeakPolarHBondContact CA-O 3.37Å; A2-Y60 WeakPolarHBondContact CB-O 3.35Å
3	L	96.2	Very high	95.1	Very high	74 Å²	74	67.5 Å²	67.5	39%	0.387	33%	0.329	S	S	.	.	H	α-helix	trans	-56.5	-45.8	-179.3	-174.5	62.1	0	0	0	113.4	M1 R5 I6 Q7 L30 F31	M1-L3 PolarHBondContact O-N 2.85Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.47Å; L3-I6 PolarHBondContact O-N 3.03Å; L3-Q7 HydrophobicContact CD1-CG 4.48Å; L3-Q7 WeakPolarHBondContact O-CB 3.21Å; L3-Q7 WeakPolarHBondContact O-CG 3.38Å; L3-Q7 PolarHBondContact O-N 3.37Å; L3-L30 HydrophobicContact CD1-CB 3.82Å; L3-L30 HydrophobicContact CD1-CD1 3.56Å; L3-L30 HydrophobicContact CD1-CG 4.33Å; L3-F31 HydrophobicContact CB-CE2 4.43Å; L3-F31 HydrophobicContact CB-CZ 4.42Å; L3-F31 HydrophobicContact CD1-CE2 4.05Å
4	K	96.9	Very high	94.8	Very high	169 Å²	169	72.8 Å²	72.8	74%	0.735	35%	0.353	S	S	*	.	H	α-helix	trans	-60.4	-38.9	176.4	-71.7	-172.7	177	-175.9	0	111.6	M1 A2 K8	M1-K4 PolarHBondContact O-N 3.44Å; A2-K4 PolarHBondContact O-N 2.84Å; K4-K8 WeakPolarHBondContact O-CB 3.38Å; K4-K8 PolarHBondContact O-N 2.96Å; K4-K8 VanDerWaalsContact O-N 3.07Å
5	R	97.6	Very high	94.6	Very high	57 Å²	57	80.5 Å²	80.5	22%	0.215	38%	0.377	C	S	.	.	H	α-helix	trans	-67	-45.5	176.9	173	61.4	-175.2	-95.4	-14.7	111.4	M1 A2 L3 K8 E9 Y60 P61 P95 L97	M1-R5 PolarHBondContact O-N 3.25Å; M1-R5 VanDerWaalsContact O-N 3.12Å; A2-R5 WeakPolarHBondContact O-CA 3.49Å; A2-R5 WeakPolarHBondContact O-CB 3.49Å; A2-R5 PolarHBondContact O-N 3.32Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.47Å; R5-K8 PolarHBondContact O-N 3.39Å; R5-E9 IonicContact CZ-OE1 3.18Å; R5-E9 IonicContact NE-OE1 2.7Å; R5-E9 PolarHBondContact NE-OE1 3.41Å; R5-E9 IonicContact NH2-OE1 2.8Å; R5-E9 PolarHBondContact NH2-OE1 3.36Å; R5-E9 PolarHBondContact O-N 3.06Å; R5-Y60 HydrophobicContact CB-CD1 4.47Å; R5-Y60 HydrophobicContact CG-CD1 3.89Å; R5-Y60 HydrophobicContact CG-CE1 3.64Å; R5-P61 HydrophobicContact CG-CB 4.3Å; R5-P61 HydrophobicContact CG-CG 4.15Å; R5-P95 PolarHBondContact NH1-O 3.24Å; R5-P95 PolarHBondContact NH2-O 2.95Å; R5-P95 VanDerWaalsContact NH2-O 3.14Å; R5-L97 PolarHBondContact NH2-O 3.05Å
6	I	97.8	Very high	94.2	Very high	0 Å²	0	83.2 Å²	83.2	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-61	-47.1	177.6	-67.9	168.4	0	0	0	110.7	A2 L3 K8 E9 L10 L30 F31 W33 F56 Y60	A2-I6 WeakPolarHBondContact O-CG1 3.25Å; A2-I6 PolarHBondContact O-N 2.67Å; L3-I6 PolarHBondContact O-N 3.03Å; I6-K8 VanDerWaalsContact C-N 3.33Å; I6-K8 PolarHBondContact O-N 3.27Å; I6-E9 PolarHBondContact O-N 2.75Å; I6-L10 PolarHBondContact O-N 3.42Å; I6-L30 HydrophobicContact CG2-CB 4.48Å; I6-L30 VanDerWaalsContact CG2-O 3.29Å; I6-L30 WeakPolarHBondContact CG2-O 3.48Å; I6-F31 HydrophobicContact CD1-CD1 3.71Å; I6-F31 HydrophobicContact CD1-CD2 4.46Å; I6-F31 HydrophobicContact CD1-CE1 3.65Å; I6-F31 HydrophobicContact CD1-CE2 4.41Å; I6-F31 HydrophobicContact CD1-CG 4.13Å; I6-F31 HydrophobicContact CD1-CZ 4.02Å; I6-W33 HydrophobicContact CG2-CZ2 3.57Å; I6-F56 HydrophobicContact CD1-CB 3.74Å; I6-F56 HydrophobicContact CD1-CD1 4.12Å; I6-F56 HydrophobicContact CD1-CD2 4.05Å; I6-F56 HydrophobicContact CD1-CG 3.71Å; I6-F56 HydrophobicContact CG1-CD1 3.96Å; I6-F56 HydrophobicContact CG1-CD2 4.39Å; I6-F56 HydrophobicContact CG1-CE1 4.18Å; I6-F56 HydrophobicContact CG1-CG 4.04Å; I6-F56 HydrophobicContact CG1-CZ 4.48Å; I6-F56 HydrophobicContact CG2-CE2 4.34Å; I6-F56 HydrophobicContact CG2-CZ 4.46Å; I6-Y60 HydrophobicContact CD1-CD1 4.45Å; I6-Y60 HydrophobicContact CG1-CD1 3.79Å; I6-Y60 HydrophobicContact CG1-CE1 4.19Å
7	Q	96.9	Very high	93.7	Very high	86 Å²	86	82.9 Å²	82.9	40%	0.402	40%	0.402	S	S	.	.	H	α-helix	trans	-60.4	-42.3	177	-74.1	175.4	-35.7	0	0	112.1	L3 L10 S11 L30	L3-Q7 HydrophobicContact CD1-CG 4.48Å; L3-Q7 WeakPolarHBondContact O-CB 3.21Å; L3-Q7 WeakPolarHBondContact O-CG 3.38Å; L3-Q7 PolarHBondContact O-N 3.37Å; Q7-L10 PolarHBondContact O-N 2.85Å; Q7-S11 PolarHBondContact O-N 3.05Å; Q7-S11 PolarHBondContact O-OG 2.84Å; Q7-L30 HydrophobicContact CG-CD1 4.07Å
8	K	96.8	Very high	93.2	Very high	133 Å²	133	79.2 Å²	79.2	58%	0.578	39%	0.385	S	S	*	.	H	α-helix	trans	-59.9	-48	175	-175.1	-171.8	172.9	79.4	0	111.2	K4 R5 I6 L10 S11 D12	K4-K8 WeakPolarHBondContact O-CB 3.38Å; K4-K8 PolarHBondContact O-N 2.96Å; K4-K8 VanDerWaalsContact O-N 3.07Å; R5-K8 PolarHBondContact O-N 3.39Å; I6-K8 VanDerWaalsContact C-N 3.33Å; I6-K8 PolarHBondContact O-N 3.27Å; K8-L10 VanDerWaalsContact C-N 3.31Å; K8-L10 PolarHBondContact O-N 2.89Å; K8-S11 PolarHBondContact O-N 3.31Å; K8-D12 PolarHBondContact O-N 3.33Å
9	E	97.1	Very high	92.6	Very high	7 Å²	7	79.3 Å²	79.3	3%	0.033	40%	0.4	C	S	.	.	H	α-helix	trans	-63.1	-36.2	177.9	-74.7	-168.6	-139.4	0	0	112.8	R5 I6 D12 L13 Y60 T98 V99	R5-E9 IonicContact CZ-OE1 3.18Å; R5-E9 IonicContact NE-OE1 2.7Å; R5-E9 PolarHBondContact NE-OE1 3.41Å; R5-E9 IonicContact NH2-OE1 2.8Å; R5-E9 PolarHBondContact NH2-OE1 3.36Å; R5-E9 PolarHBondContact O-N 3.06Å; I6-E9 PolarHBondContact O-N 2.75Å; E9-D12 PolarHBondContact O-N 3Å; E9-L13 WeakPolarHBondContact O-CB 3.06Å; E9-L13 PolarHBondContact O-N 3.02Å; E9-Y60 VanDerWaalsContact CD-OH 3.31Å; E9-Y60 WeakPolarHBondContact OE1-CE1 3.44Å; E9-Y60 PolarHBondContact OE1-OH 2.7Å; E9-Y60 PolarHBondContact OE2-OH 3.47Å; E9-T98 HydrophobicContact CG-CG2 4.22Å; E9-T98 WeakPolarHBondContact OE2-CA 3.47Å; E9-T98 VanDerWaalsContact OE2-CB 3.27Å; E9-T98 WeakPolarHBondContact OE2-CB 3.31Å; E9-V99 PolarHBondContact OE2-N 3.48Å
10	L	96.5	Very high	92.3	Very high	22 Å²	22	80 Å²	80	12%	0.115	40%	0.402	C	S	.	.	H	α-helix	trans	-62.5	-47.3	174.1	-177.8	59.8	0	0	0	111.2	I6 Q7 K8 D12 L13 Q14 P25 L30 W33	I6-L10 PolarHBondContact O-N 3.42Å; Q7-L10 PolarHBondContact O-N 2.85Å; K8-L10 VanDerWaalsContact C-N 3.31Å; K8-L10 PolarHBondContact O-N 2.89Å; L10-D12 VanDerWaalsContact C-N 3.33Å; L10-D12 PolarHBondContact O-N 3.31Å; L10-L13 PolarHBondContact O-N 3.26Å; L10-Q14 HydrophobicContact CD1-CG 4.49Å; L10-Q14 WeakPolarHBondContact O-CB 3.44Å; L10-Q14 VanDerWaalsContact O-CG 3.32Å; L10-Q14 WeakPolarHBondContact O-CG 3.42Å; L10-Q14 PolarHBondContact O-N 3.39Å; L10-P25 HydrophobicContact CD2-CG 4.23Å; L10-L30 HydrophobicContact CD2-CD2 4.37Å; L10-W33 HydrophobicContact CB-CH2 3.79Å; L10-W33 HydrophobicContact CB-CZ2 3.77Å; L10-W33 HydrophobicContact CD1-CH2 4.05Å; L10-W33 HydrophobicContact CD1-CZ2 4.12Å; L10-W33 HydrophobicContact CG-CZ2 4.38Å
11	S	95.9	Very high	92.3	Very high	68 Å²	68	76.7 Å²	76.7	48%	0.476	39%	0.386	S	S	.	.	H	α-helix	trans	-62.3	-40	176.3	-59.9	0	0	0	0	112.3	Q7 K8 Q14 R15	Q7-S11 PolarHBondContact O-N 3.05Å; Q7-S11 PolarHBondContact O-OG 2.84Å; K8-S11 PolarHBondContact O-N 3.31Å; S11-Q14 PolarHBondContact O-N 3.34Å; S11-R15 WeakPolarHBondContact O-CB 3.4Å; S11-R15 PolarHBondContact O-N 2.91Å
12	D	94.1	Very high	92.8	Very high	50 Å²	50	70.5 Å²	70.5	27%	0.267	36%	0.362	S	S	.	.	H	α-helix	trans	-66.2	-41.8	177	-71.8	-33.3	0	0	0	111.1	K8 E9 L10 R15 D16	K8-D12 PolarHBondContact O-N 3.33Å; E9-D12 PolarHBondContact O-N 3Å; L10-D12 VanDerWaalsContact C-N 3.33Å; L10-D12 PolarHBondContact O-N 3.31Å; D12-R15 PolarHBondContact O-N 2.89Å; D12-R15 IonicContact OD1-CZ 2.76Å; D12-R15 IonicContact OD1-NH1 2.69Å; D12-R15 IonicContact OD1-NH2 3.81Å; D12-R15 PolarHBondContact OD1-NH2 3.15Å; D12-D16 PolarHBondContact O-N 2.82Å
13	L	92.9	Very high	93	Very high	11 Å²	11	71.2 Å²	71.2	6%	0.058	37%	0.367	C	S	.	.	H	α-helix	trans	-62.5	-38.9	174.1	-104.6	155	0	0	0	113.1	E9 L10 D16 P17 P18 W33 V99	E9-L13 WeakPolarHBondContact O-CB 3.06Å; E9-L13 PolarHBondContact O-N 3.02Å; L10-L13 PolarHBondContact O-N 3.26Å; L13-D16 CarbonylContact O-C 3.5Å; L13-P17 VanDerWaalsContact O-CA 3.23Å; L13-P17 WeakPolarHBondContact O-CA 3.42Å; L13-P18 VanDerWaalsContact CD2-CD 3.45Å; L13-P18 HydrophobicContact CD2-CG 3.99Å; L13-W33 HydrophobicContact CD1-CH2 4.28Å; L13-W33 HydrophobicContact CD1-CZ3 3.66Å; L13-V99 HydrophobicContact CD1-CB 4.15Å; L13-V99 HydrophobicContact CD1-CG1 4.09Å
14	Q	90.4	Very high	93	Very high	141 Å²	141	68.6 Å²	68.6	66%	0.659	36%	0.358	S	S	*	.	H	α-helix	trans	-70.7	-34	177.2	-74.7	174.8	-21.3	0	0	112.2	L10 S11	L10-Q14 HydrophobicContact CD1-CG 4.49Å; L10-Q14 WeakPolarHBondContact O-CB 3.44Å; L10-Q14 VanDerWaalsContact O-CG 3.32Å; L10-Q14 WeakPolarHBondContact O-CG 3.42Å; L10-Q14 PolarHBondContact O-N 3.39Å; S11-Q14 PolarHBondContact O-N 3.34Å
15	R	91.7	Very high	93	Very high	188 Å²	188	62.6 Å²	62.6	71%	0.709	34%	0.337	S	S	*	.	H	α-helix	trans	-75.3	-40	178.5	-174	-179.4	65.2	-146	-14.2	112	S11 D12	S11-R15 WeakPolarHBondContact O-CB 3.4Å; S11-R15 PolarHBondContact O-N 2.91Å; D12-R15 PolarHBondContact O-N 2.89Å; D12-R15 IonicContact OD1-CZ 2.76Å; D12-R15 IonicContact OD1-NH1 2.69Å; D12-R15 IonicContact OD1-NH2 3.81Å; D12-R15 PolarHBondContact OD1-NH2 3.15Å
16	D	89.1	Confident	92.9	Very high	124 Å²	124	62.9 Å²	62.9	66%	0.663	35%	0.345	S	S	*	.	S	Bend	trans	-137	77.5	-176.1	-171.2	28.3	0	0	0	110.2	D12 L13	D12-D16 PolarHBondContact O-N 2.82Å; L13-D16 CarbonylContact O-C 3.5Å
17	P	85	Confident	92.7	Very high	79 Å²	79	66 Å²	66	51%	0.513	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-70.6	133.4	-177.2	27.3	-33.2	0	0	0	110.6	L13 A19	L13-P17 VanDerWaalsContact O-CA 3.23Å; L13-P17 WeakPolarHBondContact O-CA 3.42Å; P17-A19 PolarHBondContact O-N 3.2Å
18	P	85.4	Confident	92.5	Very high	15 Å²	15	70 Å²	70	10%	0.097	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-60.9	137.5	175	18.8	-24.5	0	0	0	110.8	L13 Q20 C21 L104	L13-P18 VanDerWaalsContact CD2-CD 3.45Å; L13-P18 HydrophobicContact CD2-CG 3.99Å; P18-Q20 PolarHBondContact O-N 2.88Å; P18-C21 HydrophobicContact CB-CB 4Å; P18-C21 HydrophobicContact CG-CB 3.67Å; P18-C21 PolarHBondContact O-N 3.49Å; P18-C21 VanDerWaalsContact O-N 3.14Å; P18-L104 HydrophobicContact CB-CD2 3.85Å; P18-L104 HydrophobicContact CB-CG 4.14Å
19	A	81.9	Confident	92.4	Very high	82 Å²	82	67.4 Å²	67.4	68%	0.678	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	136.6	174.7	0	0	0	0	0	109.9	P17 C21	P17-A19 PolarHBondContact O-N 3.2Å; A19-C21 PolarHBondContact O-N 3.47Å; A19-C21 VanDerWaalsContact O-N 3.12Å
20	Q	86.1	Confident	92.4	Very high	93 Å²	93	69.1 Å²	69.1	44%	0.435	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	4.3	179.3	-60.5	172.7	-11	0	0	115.7	P18 M38	P18-Q20 PolarHBondContact O-N 2.88Å; Q20-M38 HydrophobicContact CB-CB 4Å; Q20-M38 HydrophobicContact CG-CB 4.41Å; Q20-M38 PolarHBondContact O-N 3.39Å
21	C	93.1	Very high	92.5	Very high	11 Å²	11	70.9 Å²	70.9	7%	0.074	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.5	-178.9	-71.7	0	0	0	0	111.7	P18 A19 T36 L103 C107	P18-C21 HydrophobicContact CB-CB 4Å; P18-C21 HydrophobicContact CG-CB 3.67Å; P18-C21 PolarHBondContact O-N 3.49Å; P18-C21 VanDerWaalsContact O-N 3.14Å; A19-C21 PolarHBondContact O-N 3.47Å; A19-C21 VanDerWaalsContact O-N 3.12Å; C21-T36 CarbonylContact C-O 3.35Å; C21-T36 WeakPolarHBondContact CA-O 3.49Å; C21-L103 HydrophobicContact CB-CB 4.31Å; C21-L103 HydrophobicContact CB-CD1 4.38Å; C21-C107 PolarHBondContact SG-SG 3.49Å
22	S	94.2	Very high	92.6	Very high	63 Å²	63	69.8 Å²	69.8	44%	0.441	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.5	166	65.2	0	0	0	0	110.2	A35 T36	S22-A35 CarbonylContact O-C 3.52Å; S22-A35 WeakPolarHBondContact O-CA 3.35Å; S22-A35 WeakPolarHBondContact O-CB 3.47Å; S22-T36 PolarHBondContact N-O 3.28Å; S22-T36 PolarHBondContact O-N 2.98Å
23	A	96.6	Very high	92.8	Very high	22 Å²	22	67.4 Å²	67.4	18%	0.182	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	151.2	173.7	0	0	0	0	0	111.4	W33 Q34 A35 V99 L103	A23-W33 HydrophobicContact CB-CE3 4.05Å; A23-W33 HydrophobicContact CB-CZ3 4.48Å; A23-Q34 CarbonylContact C-O 3.58Å; A23-Q34 VanDerWaalsContact CA-O 3.24Å; A23-Q34 WeakPolarHBondContact CA-O 3.35Å; A23-A35 HydrophobicContact CB-CB 3.71Å; A23-V99 HydrophobicContact CB-CG1 4.38Å; A23-L103 HydrophobicContact CB-CD1 3.85Å
24	G	96.5	Very high	93	Very high	19 Å²	19	71.5 Å²	71.5	20%	0.196	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	168.6	175.9	0	0	0	0	0	112.6	W33 Q34	G24-W33 CarbonylContact O-C 3.5Å; G24-W33 WeakPolarHBondContact O-CA 3.48Å; G24-W33 WeakPolarHBondContact O-CB 3.49Å; G24-Q34 PolarHBondContact N-O 3.5Å; G24-Q34 PolarHBondContact O-N 3.05Å
25	P	97.5	Very high	93.4	Very high	44 Å²	44	64.8 Å²	64.8	29%	0.286	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	147.2	179.9	28.9	-35.7	0	0	0	112.4	L10 L30 H32 W33	L10-P25 HydrophobicContact CD2-CG 4.23Å; P25-L30 HydrophobicContact CB-CD2 3.98Å; P25-L30 HydrophobicContact CG-CD2 3.98Å; P25-H32 WeakPolarHBondContact CA-O 3.36Å; P25-W33 VanDerWaalsContact CA-CD1 3.42Å
26	V	95.9	Very high	93.7	Very high	62 Å²	62	57.1 Å²	57.1	38%	0.376	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	107.8	173.2	-178	0	0	0	0	108.3	D28 H32 Q34	V26-D28 PolarHBondContact O-N 3.27Å; V26-H32 PolarHBondContact N-O 2.98Å; V26-Q34 HydrophobicContact CG2-CB 3.69Å
27	G	94	Very high	94.1	Very high	65 Å²	65	51.2 Å²	51.2	67%	0.67	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-132.4	-175	0	0	0	0	0	111.4
28	D	92.8	Very high	94.7	Very high	170 Å²	170	51.3 Å²	51.3	91%	0.909	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-6.8	-175.8	-61	-34.8	0	0	0	113.7	V26 L30	V26-D28 PolarHBondContact O-N 3.27Å; D28-L30 PolarHBondContact O-N 2.89Å
29	D	94.8	Very high	95.2	Very high	80 Å²	80	50.9 Å²	50.9	43%	0.428	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	99.8	-179.8	-173.8	4.5	0	0	0	111.4	F31 H32	D29-F31 PolarHBondContact O-N 3.27Å; D29-F31 WeakPolarHBondContact OD1-CA 3.45Å; D29-F31 WeakPolarHBondContact OD1-CB 3.38Å; D29-F31 PolarHBondContact OD1-N 3.36Å; D29-H32 HydrophobicContact CB-CB 4.23Å; D29-H32 PolarHBondContact O-N 3.49Å; D29-H32 VanDerWaalsContact O-N 3.15Å; D29-H32 WeakPolarHBondContact OD2-CB 3.11Å
30	L	96.1	Very high	95.9	Very high	42 Å²	42	47.2 Å²	47.2	22%	0.22	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-15.5	176.5	-70.6	173.9	0	0	0	113.6	L3 I6 Q7 L10 P25 D28 W33	L3-L30 HydrophobicContact CD1-CB 3.82Å; L3-L30 HydrophobicContact CD1-CD1 3.56Å; L3-L30 HydrophobicContact CD1-CG 4.33Å; I6-L30 HydrophobicContact CG2-CB 4.48Å; I6-L30 VanDerWaalsContact CG2-O 3.29Å; I6-L30 WeakPolarHBondContact CG2-O 3.48Å; Q7-L30 HydrophobicContact CG-CD1 4.07Å; L10-L30 HydrophobicContact CD2-CD2 4.37Å; P25-L30 HydrophobicContact CB-CD2 3.98Å; P25-L30 HydrophobicContact CG-CD2 3.98Å; D28-L30 PolarHBondContact O-N 2.89Å; L30-W33 PolarHBondContact O-NE1 2.89Å
31	F	98	Very high	96.2	Very high	59 Å²	59	46.1 Å²	46.1	26%	0.259	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-6.3	176.1	-72.7	-101	0	0	0	113.3	A2 L3 I6 D29 H55 F56	A2-F31 HydrophobicContact CB-CE1 3.93Å; A2-F31 HydrophobicContact CB-CZ 4.06Å; L3-F31 HydrophobicContact CB-CE2 4.43Å; L3-F31 HydrophobicContact CB-CZ 4.42Å; L3-F31 HydrophobicContact CD1-CE2 4.05Å; I6-F31 HydrophobicContact CD1-CD1 3.71Å; I6-F31 HydrophobicContact CD1-CD2 4.46Å; I6-F31 HydrophobicContact CD1-CE1 3.65Å; I6-F31 HydrophobicContact CD1-CE2 4.41Å; I6-F31 HydrophobicContact CD1-CG 4.13Å; I6-F31 HydrophobicContact CD1-CZ 4.02Å; D29-F31 PolarHBondContact O-N 3.27Å; D29-F31 WeakPolarHBondContact OD1-CA 3.45Å; D29-F31 WeakPolarHBondContact OD1-CB 3.38Å; D29-F31 PolarHBondContact OD1-N 3.36Å; F31-H55 WeakPolarHBondContact O-CA 3.41Å; F31-F56 HydrophobicContact CB-CB 4.45Å; F31-F56 HydrophobicContact CD1-CB 3.79Å; F31-F56 HydrophobicContact CG-CB 4.5Å; F31-F56 WeakPolarHBondContact O-CD2 3.43Å; F31-F56 PolarHBondContact O-N 3.37Å
32	H	98.4	Very high	96.2	Very high	45 Å²	45	53 Å²	53	21%	0.208	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.3	175.4	179.3	-148.3	0	0	0	110.4	P25 V26 D29 T53 H55	P25-H32 WeakPolarHBondContact CA-O 3.36Å; V26-H32 PolarHBondContact N-O 2.98Å; D29-H32 HydrophobicContact CB-CB 4.23Å; D29-H32 PolarHBondContact O-N 3.49Å; D29-H32 VanDerWaalsContact O-N 3.15Å; D29-H32 WeakPolarHBondContact OD2-CB 3.11Å; H32-T53 PolarHBondContact NE2-OG1 3.35Å; H32-H55 AromaticContact CD2-CD2 3.94Å; H32-H55 AromaticContact CD2-CE1 3.33Å; H32-H55 PolarHBondContact CD2-CE1 3.15Å; H32-H55 AromaticContact CD2-ND1 3.82Å; H32-H55 AromaticContact CD2-NE2 3.43Å; H32-H55 PolarHBondContact CD2-NE2 3.01Å; H32-H55 AromaticContact CG-NE2 3.76Å; H32-H55 AromaticContact NE2-CE1 3.51Å; H32-H55 AromaticContact NE2-NE2 3.82Å
33	W	98.3	Very high	96.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	152.3	178.5	-71.7	21.9	0	0	0	111.4	I6 L10 L13 A23 G24 P25 L30 I54 F56 V99	I6-W33 HydrophobicContact CG2-CZ2 3.57Å; L10-W33 HydrophobicContact CB-CH2 3.79Å; L10-W33 HydrophobicContact CB-CZ2 3.77Å; L10-W33 HydrophobicContact CD1-CH2 4.05Å; L10-W33 HydrophobicContact CD1-CZ2 4.12Å; L10-W33 HydrophobicContact CG-CZ2 4.38Å; L13-W33 HydrophobicContact CD1-CH2 4.28Å; L13-W33 HydrophobicContact CD1-CZ3 3.66Å; A23-W33 HydrophobicContact CB-CE3 4.05Å; A23-W33 HydrophobicContact CB-CZ3 4.48Å; G24-W33 CarbonylContact O-C 3.5Å; G24-W33 WeakPolarHBondContact O-CA 3.48Å; G24-W33 WeakPolarHBondContact O-CB 3.49Å; P25-W33 VanDerWaalsContact CA-CD1 3.42Å; L30-W33 PolarHBondContact O-NE1 2.89Å; W33-I54 HydrophobicContact CB-CB 4.03Å; W33-I54 PolarHBondContact N-O 3.28Å; W33-I54 PolarHBondContact O-N 3.48Å; W33-F56 HydrophobicContact CB-CE2 4.29Å; W33-F56 AromaticContact CD1-CE2 3.63Å; W33-F56 AromaticContact CD2-CE2 3.6Å; W33-F56 HydrophobicContact CD2-CE2 3.6Å; W33-F56 AromaticContact CD2-CZ 3.86Å; W33-F56 HydrophobicContact CD2-CZ 3.86Å; W33-F56 AromaticContact CE2-CE2 3.62Å; W33-F56 AromaticContact CE2-CZ 3.89Å; W33-F56 HydrophobicContact CE3-CE2 4.21Å; W33-F56 HydrophobicContact CE3-CZ 4.03Å; W33-F56 AromaticContact CG-CE2 3.63Å; W33-F56 HydrophobicContact CG-CE2 3.63Å; W33-F56 HydrophobicContact CG-CZ 4.34Å; W33-F56 HydrophobicContact CH2-CZ 4.28Å; W33-F56 HydrophobicContact CZ2-CE2 4.25Å; W33-F56 HydrophobicContact CZ2-CZ 4.12Å; W33-F56 HydrophobicContact CZ3-CZ 4.22Å; W33-F56 AromaticContact NE1-CE2 3.61Å; W33-V99 HydrophobicContact CE3-CG1 4.26Å; W33-V99 HydrophobicContact CZ3-CB 4.24Å; W33-V99 HydrophobicContact CZ3-CG1 4.09Å; W33-V99 HydrophobicContact CZ3-CG2 4.17Å
34	Q	98.3	Very high	96.4	Very high	98 Å²	98	50.5 Å²	50.5	46%	0.458	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141.5	162.9	-177.9	171.9	64.6	0	0	108.4	A23 G24 V26 L52	A23-Q34 CarbonylContact C-O 3.58Å; A23-Q34 VanDerWaalsContact CA-O 3.24Å; A23-Q34 WeakPolarHBondContact CA-O 3.35Å; G24-Q34 PolarHBondContact N-O 3.5Å; G24-Q34 PolarHBondContact O-N 3.05Å; V26-Q34 HydrophobicContact CG2-CB 3.69Å; Q34-L52 WeakPolarHBondContact CA-O 3.42Å
35	A	97.9	Very high	96.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154.2	171.6	0	0	0	0	0	110.9	S22 A23 F51 L52 I54 L103	S22-A35 CarbonylContact O-C 3.52Å; S22-A35 WeakPolarHBondContact O-CA 3.35Å; S22-A35 WeakPolarHBondContact O-CB 3.47Å; A23-A35 HydrophobicContact CB-CB 3.71Å; A35-F51 CarbonylContact O-C 3.59Å; A35-F51 WeakPolarHBondContact O-CA 3.4Å; A35-L52 HydrophobicContact CB-CB 4.32Å; A35-L52 PolarHBondContact N-O 3.41Å; A35-L52 PolarHBondContact O-N 2.91Å; A35-I54 HydrophobicContact CB-CD1 3.78Å; A35-I54 HydrophobicContact CB-CG1 4.46Å; A35-L103 HydrophobicContact CB-CD1 4.29Å; A35-L103 HydrophobicContact CB-CD2 3.75Å
36	T	97.3	Very high	96.4	Very high	27 Å²	27	52 Å²	52	17%	0.166	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.9	175.6	-55.1	0	0	0	0	108.4	C21 S22 V49 F50 F51	C21-T36 CarbonylContact C-O 3.35Å; C21-T36 WeakPolarHBondContact CA-O 3.49Å; S22-T36 PolarHBondContact N-O 3.28Å; S22-T36 PolarHBondContact O-N 2.98Å; T36-V49 HydrophobicContact CG2-CG1 3.4Å; T36-F50 CarbonylContact C-O 3.51Å; T36-F50 WeakPolarHBondContact CA-O 3.42Å; T36-F51 HydrophobicContact CG2-CD1 4.44Å; T36-F51 HydrophobicContact CG2-CE1 4.25Å
37	I	97.3	Very high	96.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.5	172.6	-66.8	178.6	0	0	0	107.9	F50 L52 L103 I106 C107 L110	I37-F50 PolarHBondContact N-O 2.98Å; I37-F50 PolarHBondContact O-N 3.35Å; I37-L52 HydrophobicContact CB-CD1 4.18Å; I37-L52 HydrophobicContact CD1-CD1 3.7Å; I37-L52 HydrophobicContact CD1-CD2 4.22Å; I37-L52 HydrophobicContact CG1-CD1 3.73Å; I37-L103 HydrophobicContact CD1-CD2 4.23Å; I37-L103 HydrophobicContact CG1-CD2 4.45Å; I37-I106 HydrophobicContact CD1-CB 3.99Å; I37-I106 HydrophobicContact CD1-CG2 3.55Å; I37-C107 VanDerWaalsContact CG2-SG 3.53Å; I37-L110 HydrophobicContact CG2-CD1 3.99Å
38	M	97.6	Very high	96.6	Very high	81 Å²	81	49.3 Å²	49.3	40%	0.399	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.5	167.5	-55.2	-60.3	-63.5	0	0	108.1	Q20 V49	Q20-M38 HydrophobicContact CB-CB 4Å; Q20-M38 HydrophobicContact CG-CB 4.41Å; Q20-M38 PolarHBondContact O-N 3.39Å; M38-V49 HydrophobicContact CE-CG2 3.84Å; M38-V49 HydrophobicContact SD-CG1 4.36Å; M38-V49 HydrophobicContact SD-CG2 3.93Å
39	G	97.1	Very high	96.9	Very high	6 Å²	6	43.4 Å²	43.4	6%	0.062	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-56.7	125.8	176.8	0	0	0	0	0	111.2	Y45 G48	G39-Y45 WeakPolarHBondContact CA-O 3.45Å; G39-G48 PolarHBondContact N-O 2.88Å
40	P	96.1	Very high	97.1	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.032	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-58.1	145.9	-176.3	-26	34.2	0	0	0	112.6	S43 Q46 L110 C111	P40-S43 WeakPolarHBondContact O-CB 3.48Å; P40-S43 PolarHBondContact O-N 2.86Å; P40-S43 PolarHBondContact O-OG 2.82Å; P40-Q46 WeakPolarHBondContact O-CA 3.42Å; P40-Q46 WeakPolarHBondContact O-CB 3.26Å; P40-L110 HydrophobicContact CG-CB 4.19Å; P40-C111 WeakPolarHBondContact CB-SG 3.41Å; P40-C111 VanDerWaalsContact CG-SG 3.54Å
41	S	93.6	Very high	97.2	Very high	69 Å²	69	41.4 Å²	41.4	48%	0.483	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	150.5	169.9	53.2	0	0	0	0	110.6	S43	S41-S43 PolarHBondContact O-N 3.2Å
42	D	92	Very high	97.2	Very high	156 Å²	156	38.6 Å²	38.6	83%	0.834	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	12.6	-179.4	-51.5	-51.8	0	0	0	114.4
43	S	96.4	Very high	97.2	Very high	15 Å²	15	38 Å²	38	11%	0.105	21%	0.211	C	C	.	.	S	Bend	trans	-105.7	158.9	170	84.3	0	0	0	0	110.4	P40 S41 Y45 Q46	P40-S43 WeakPolarHBondContact O-CB 3.48Å; P40-S43 PolarHBondContact O-N 2.86Å; P40-S43 PolarHBondContact O-OG 2.82Å; S41-S43 PolarHBondContact O-N 3.2Å; S43-Y45 PolarHBondContact O-N 3.17Å; S43-Y45 WeakPolarHBondContact OG-CB 3.5Å; S43-Y45 PolarHBondContact OG-N 3.2Å; S43-Y45 VanDerWaalsContact OG-N 3.14Å; S43-Q46 WeakPolarHBondContact O-CB 3.48Å; S43-Q46 PolarHBondContact O-N 2.87Å; S43-Q46 VanDerWaalsContact O-N 3.15Å; S43-Q46 PolarHBondContact OG-N 3.02Å
44	P	97.9	Very high	97.2	Very high	17 Å²	17	38.1 Å²	38.1	11%	0.11	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-7	172.3	30.4	-36.6	0	0	0	113.4	Y134 N135 A138 R139 T142	P44-Y134 HydrophobicContact CG-CE1 4.26Å; P44-N135 HydrophobicContact CB-CB 4.49Å; P44-A138 HydrophobicContact CB-CB 3.58Å; P44-A138 HydrophobicContact CG-CB 3.68Å; P44-R139 HydrophobicContact CB-CG 3.85Å; P44-R139 WeakPolarHBondContact O-CA 3.28Å; P44-R139 WeakPolarHBondContact O-CG 3.43Å; P44-T142 PolarHBondContact O-OG1 3.36Å
45	Y	98.3	Very high	97.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.9	177.8	-50.3	-63.5	0	0	0	113.3	G39 S43 S47 G48 F50 I73 Y74 H75 L110 Y134 A138 T142	G39-Y45 WeakPolarHBondContact CA-O 3.45Å; S43-Y45 PolarHBondContact O-N 3.17Å; S43-Y45 WeakPolarHBondContact OG-CB 3.5Å; S43-Y45 PolarHBondContact OG-N 3.2Å; S43-Y45 VanDerWaalsContact OG-N 3.14Å; Y45-S47 PolarHBondContact O-N 3.19Å; Y45-G48 PolarHBondContact O-N 3.07Å; Y45-F50 AromaticContact CD1-CZ 3.97Å; Y45-F50 HydrophobicContact CD1-CZ 3.97Å; Y45-F50 HydrophobicContact CG-CZ 4.34Å; Y45-I73 HydrophobicContact CD1-CD1 3.9Å; Y45-I73 HydrophobicContact CD1-CG1 4.04Å; Y45-I73 HydrophobicContact CE1-CD1 3.73Å; Y45-I73 HydrophobicContact CE1-CG1 3.64Å; Y45-Y74 WeakPolarHBondContact CE1-O 3.41Å; Y45-Y74 PolarHBondContact OH-O 3.27Å; Y45-H75 AromaticContact CZ-CD2 3.96Å; Y45-H75 PolarHBondContact OH-CD2 3.28Å; Y45-H75 VanDerWaalsContact OH-CD2 3.27Å; Y45-L110 HydrophobicContact CD2-CB 3.99Å; Y45-L110 HydrophobicContact CD2-CD2 4.35Å; Y45-L110 HydrophobicContact CE2-CB 4.24Å; Y45-L110 HydrophobicContact CE2-CD2 4.21Å; Y45-L110 VanDerWaalsContact CE2-O 3.28Å; Y45-L110 WeakPolarHBondContact CE2-O 3.42Å; Y45-Y134 PolarHBondContact OH-OH 2.93Å; Y45-A138 HydrophobicContact CE1-CB 3.98Å; Y45-T142 WeakPolarHBondContact O-CG2 3.38Å
46	Q	97.3	Very high	97.3	Very high	94 Å²	94	38 Å²	38	44%	0.439	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	139.4	-176.8	179.7	174.1	-36.8	0	0	112.3	P40 S43 G48	P40-Q46 WeakPolarHBondContact O-CA 3.42Å; P40-Q46 WeakPolarHBondContact O-CB 3.26Å; S43-Q46 WeakPolarHBondContact O-CB 3.48Å; S43-Q46 PolarHBondContact O-N 2.87Å; S43-Q46 VanDerWaalsContact O-N 3.15Å; S43-Q46 PolarHBondContact OG-N 3.02Å; Q46-G48 PolarHBondContact O-N 3.35Å; Q46-G48 VanDerWaalsContact O-N 3.15Å
47	S	95.8	Very high	97.3	Very high	72 Å²	72	38.2 Å²	38.2	50%	0.503	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	-3.2	-177.6	-52.3	0	0	0	0	115.5	Y45	Y45-S47 PolarHBondContact O-N 3.19Å
48	G	97.9	Very high	97.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.249	C	C	.	.			trans	-76.5	153.6	170	0	0	0	0	0	112.9	G39 Y45 Q46 A146	G39-G48 PolarHBondContact N-O 2.88Å; Y45-G48 PolarHBondContact O-N 3.07Å; Q46-G48 PolarHBondContact O-N 3.35Å; Q46-G48 VanDerWaalsContact O-N 3.15Å; G48-A146 CarbonylContact C-O 3.48Å; G48-A146 WeakPolarHBondContact CA-O 3.42Å
49	V	98.3	Very high	97.2	Very high	45 Å²	45	42.8 Å²	42.8	27%	0.273	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	113.8	174.1	-174.1	0	0	0	0	108.5	T36 M38 F51 A146	T36-V49 HydrophobicContact CG2-CG1 3.4Å; M38-V49 HydrophobicContact CE-CG2 3.84Å; M38-V49 HydrophobicContact SD-CG1 4.36Å; M38-V49 HydrophobicContact SD-CG2 3.93Å; V49-F51 HydrophobicContact CG1-CE1 4.41Å; V49-F51 HydrophobicContact CG1-CE2 4.2Å; V49-F51 HydrophobicContact CG1-CZ 3.96Å; V49-A146 PolarHBondContact N-O 2.73Å
50	F	98.6	Very high	97.2	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.5	-177.2	-58.8	-87.5	0	0	0	110.2	T36 I37 Y45 L52 F69 T71 I73 T142 A146	T36-F50 CarbonylContact C-O 3.51Å; T36-F50 WeakPolarHBondContact CA-O 3.42Å; I37-F50 PolarHBondContact N-O 2.98Å; I37-F50 PolarHBondContact O-N 3.35Å; Y45-F50 AromaticContact CD1-CZ 3.97Å; Y45-F50 HydrophobicContact CD1-CZ 3.97Å; Y45-F50 HydrophobicContact CG-CZ 4.34Å; F50-L52 WeakPolarHBondContact O-CD1 3.47Å; F50-F69 HydrophobicContact CB-CD1 4.1Å; F50-F69 HydrophobicContact CB-CE1 3.77Å; F50-F69 HydrophobicContact CD1-CD1 4.48Å; F50-F69 HydrophobicContact CD1-CE1 4.33Å; F50-F69 HydrophobicContact CG-CE1 4.21Å; F50-T71 HydrophobicContact CD1-CG2 3.84Å; F50-T71 HydrophobicContact CE1-CG2 4.41Å; F50-I73 HydrophobicContact CD1-CB 4.29Å; F50-I73 HydrophobicContact CD1-CD1 4Å; F50-I73 HydrophobicContact CD1-CG1 4.34Å; F50-I73 HydrophobicContact CE1-CB 4.06Å; F50-I73 HydrophobicContact CE1-CD1 3.72Å; F50-I73 HydrophobicContact CE1-CG1 3.8Å; F50-I73 HydrophobicContact CZ-CD1 4.18Å; F50-I73 HydrophobicContact CZ-CG1 4.46Å; F50-T142 HydrophobicContact CZ-CG2 4.17Å; F50-A146 HydrophobicContact CD1-CB 4.02Å; F50-A146 HydrophobicContact CE1-CB 3.58Å; F50-A146 HydrophobicContact CE2-CB 4.28Å; F50-A146 HydrophobicContact CZ-CB 3.73Å
51	F	98.4	Very high	97.3	Very high	79 Å²	79	43 Å²	43	35%	0.346	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	141.5	175.2	-62.5	-76.3	0	0	0	110.4	A35 T36 V49 T70 T71	A35-F51 CarbonylContact O-C 3.59Å; A35-F51 WeakPolarHBondContact O-CA 3.4Å; T36-F51 HydrophobicContact CG2-CD1 4.44Å; T36-F51 HydrophobicContact CG2-CE1 4.25Å; V49-F51 HydrophobicContact CG1-CE1 4.41Å; V49-F51 HydrophobicContact CG1-CE2 4.2Å; V49-F51 HydrophobicContact CG1-CZ 3.96Å; F51-T70 VanDerWaalsContact C-OG1 3.3Å; F51-T70 WeakPolarHBondContact CB-OG1 3.37Å; F51-T70 PolarHBondContact O-N 3.45Å; F51-T70 PolarHBondContact O-OG1 3.17Å; F51-T70 VanDerWaalsContact O-OG1 3.06Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.44Å; F51-T71 PolarHBondContact N-OG1 2.67Å; F51-T71 PolarHBondContact O-N 3.39Å
52	L	98.6	Very high	97.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.5	176.5	-57.7	89.7	0	0	0	109.9	Q34 A35 I37 F50 V67 A68 F69 I84 I106	Q34-L52 WeakPolarHBondContact CA-O 3.42Å; A35-L52 HydrophobicContact CB-CB 4.32Å; A35-L52 PolarHBondContact N-O 3.41Å; A35-L52 PolarHBondContact O-N 2.91Å; I37-L52 HydrophobicContact CB-CD1 4.18Å; I37-L52 HydrophobicContact CD1-CD1 3.7Å; I37-L52 HydrophobicContact CD1-CD2 4.22Å; I37-L52 HydrophobicContact CG1-CD1 3.73Å; F50-L52 WeakPolarHBondContact O-CD1 3.47Å; L52-V67 HydrophobicContact CB-CG1 4.48Å; L52-V67 HydrophobicContact CD2-CG1 3.87Å; L52-A68 CarbonylContact C-O 3.5Å; L52-A68 WeakPolarHBondContact CA-O 3.42Å; L52-A68 WeakPolarHBondContact CB-O 3.38Å; L52-F69 HydrophobicContact CD1-CE1 4.31Å; L52-F69 HydrophobicContact CD2-CD1 4.46Å; L52-F69 HydrophobicContact CD2-CD2 3.86Å; L52-F69 HydrophobicContact CD2-CE1 4.32Å; L52-F69 HydrophobicContact CD2-CE2 3.67Å; L52-F69 HydrophobicContact CD2-CG 4.25Å; L52-F69 HydrophobicContact CD2-CZ 3.92Å; L52-F69 HydrophobicContact CG-CD1 4.17Å; L52-F69 HydrophobicContact CG-CD2 4.3Å; L52-F69 HydrophobicContact CG-CE1 4.29Å; L52-F69 HydrophobicContact CG-CE2 4.39Å; L52-F69 HydrophobicContact CG-CG 4.18Å; L52-F69 HydrophobicContact CG-CZ 4.39Å; L52-I84 HydrophobicContact CD2-CD1 4.17Å; L52-I106 HydrophobicContact CD2-CD1 4.03Å; L52-I106 HydrophobicContact CD2-CG2 4.46Å
53	T	98.4	Very high	97.7	Very high	33 Å²	33	44.6 Å²	44.6	20%	0.202	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.8	170.4	-170.2	0	0	0	0	109.5	H32 H55 V67 A68 T70	H32-T53 PolarHBondContact NE2-OG1 3.35Å; T53-H55 PolarHBondContact OG1-CE1 3.13Å; T53-H55 PolarHBondContact OG1-ND1 2.96Å; T53-V67 WeakPolarHBondContact O-CA 3.31Å; T53-A68 HydrophobicContact CG2-CB 4.1Å; T53-A68 PolarHBondContact N-O 3.43Å; T53-A68 PolarHBondContact O-N 3.06Å; T53-T70 HydrophobicContact CG2-CG2 4.15Å
54	I	98.6	Very high	97.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.2	-178.2	-57.6	175.9	0	0	0	107.7	W33 A35 F56 P65 K66 V67 V99 L103	W33-I54 HydrophobicContact CB-CB 4.03Å; W33-I54 PolarHBondContact N-O 3.28Å; W33-I54 PolarHBondContact O-N 3.48Å; A35-I54 HydrophobicContact CB-CD1 3.78Å; A35-I54 HydrophobicContact CB-CG1 4.46Å; I54-F56 HydrophobicContact CG2-CD2 4.49Å; I54-F56 HydrophobicContact CG2-CE2 4.06Å; I54-F56 HydrophobicContact CG2-CZ 4.15Å; I54-P65 HydrophobicContact CG2-CB 3.91Å; I54-K66 CarbonylContact C-O 3.55Å; I54-K66 WeakPolarHBondContact CA-O 3.48Å; I54-V67 HydrophobicContact CG1-CG1 4.13Å; I54-V67 HydrophobicContact CG1-CG2 4.14Å; I54-V67 HydrophobicContact CG2-CG2 4.29Å; I54-V99 HydrophobicContact CD1-CG1 3.85Å; I54-L103 HydrophobicContact CD1-CD2 4.42Å
55	H	98.6	Very high	97.8	Very high	83 Å²	83	45 Å²	45	38%	0.384	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119	175	-70	75.1	0	0	0	110.1	F31 H32 T53 P65 K66	F31-H55 WeakPolarHBondContact O-CA 3.41Å; H32-H55 AromaticContact CD2-CD2 3.94Å; H32-H55 AromaticContact CD2-CE1 3.33Å; H32-H55 PolarHBondContact CD2-CE1 3.15Å; H32-H55 AromaticContact CD2-ND1 3.82Å; H32-H55 AromaticContact CD2-NE2 3.43Å; H32-H55 PolarHBondContact CD2-NE2 3.01Å; H32-H55 AromaticContact CG-NE2 3.76Å; H32-H55 AromaticContact NE2-CE1 3.51Å; H32-H55 AromaticContact NE2-NE2 3.82Å; T53-H55 PolarHBondContact OG1-CE1 3.13Å; T53-H55 PolarHBondContact OG1-ND1 2.96Å; H55-P65 CarbonylContact O-C 3.56Å; H55-P65 WeakPolarHBondContact O-CA 3.4Å; H55-K66 HydrophobicContact CB-CB 4.36Å; H55-K66 PolarHBondContact N-O 3.14Å; H55-K66 PolarHBondContact O-N 2.9Å
56	F	98.4	Very high	97.7	Very high	14 Å²	14	52.9 Å²	52.9	6%	0.061	27%	0.27	C	S	.	.			trans	-80.8	137.8	176.2	-61.7	-90	0	0	0	110.3	I6 F31 W33 I54 Y60 P65 V99	I6-F56 HydrophobicContact CD1-CB 3.74Å; I6-F56 HydrophobicContact CD1-CD1 4.12Å; I6-F56 HydrophobicContact CD1-CD2 4.05Å; I6-F56 HydrophobicContact CD1-CG 3.71Å; I6-F56 HydrophobicContact CG1-CD1 3.96Å; I6-F56 HydrophobicContact CG1-CD2 4.39Å; I6-F56 HydrophobicContact CG1-CE1 4.18Å; I6-F56 HydrophobicContact CG1-CG 4.04Å; I6-F56 HydrophobicContact CG1-CZ 4.48Å; I6-F56 HydrophobicContact CG2-CE2 4.34Å; I6-F56 HydrophobicContact CG2-CZ 4.46Å; F31-F56 HydrophobicContact CB-CB 4.45Å; F31-F56 HydrophobicContact CD1-CB 3.79Å; F31-F56 HydrophobicContact CG-CB 4.5Å; F31-F56 WeakPolarHBondContact O-CD2 3.43Å; F31-F56 PolarHBondContact O-N 3.37Å; W33-F56 HydrophobicContact CB-CE2 4.29Å; W33-F56 AromaticContact CD1-CE2 3.63Å; W33-F56 AromaticContact CD2-CE2 3.6Å; W33-F56 HydrophobicContact CD2-CE2 3.6Å; W33-F56 AromaticContact CD2-CZ 3.86Å; W33-F56 HydrophobicContact CD2-CZ 3.86Å; W33-F56 AromaticContact CE2-CE2 3.62Å; W33-F56 AromaticContact CE2-CZ 3.89Å; W33-F56 HydrophobicContact CE3-CE2 4.21Å; W33-F56 HydrophobicContact CE3-CZ 4.03Å; W33-F56 AromaticContact CG-CE2 3.63Å; W33-F56 HydrophobicContact CG-CE2 3.63Å; W33-F56 HydrophobicContact CG-CZ 4.34Å; W33-F56 HydrophobicContact CH2-CZ 4.28Å; W33-F56 HydrophobicContact CZ2-CE2 4.25Å; W33-F56 HydrophobicContact CZ2-CZ 4.12Å; W33-F56 HydrophobicContact CZ3-CZ 4.22Å; W33-F56 AromaticContact NE1-CE2 3.61Å; I54-F56 HydrophobicContact CG2-CD2 4.49Å; I54-F56 HydrophobicContact CG2-CE2 4.06Å; I54-F56 HydrophobicContact CG2-CZ 4.15Å; F56-Y60 AromaticContact CD1-CD1 3.87Å; F56-Y60 HydrophobicContact CD1-CD1 3.87Å; F56-Y60 AromaticContact CD1-CD2 3.81Å; F56-Y60 HydrophobicContact CD1-CD2 3.81Å; F56-Y60 AromaticContact CD1-CE1 3.89Å; F56-Y60 HydrophobicContact CD1-CE1 3.89Å; F56-Y60 AromaticContact CD1-CE2 3.86Å; F56-Y60 HydrophobicContact CD1-CE2 3.86Å; F56-Y60 AromaticContact CD1-CG 3.84Å; F56-Y60 HydrophobicContact CD1-CG 3.84Å; F56-Y60 AromaticContact CD1-CZ 3.91Å; F56-Y60 HydrophobicContact CE1-CD1 4.36Å; F56-Y60 AromaticContact CE1-CE1 3.93Å; F56-Y60 HydrophobicContact CE1-CE1 3.93Å; F56-Y60 HydrophobicContact CE1-CE2 4.17Å; F56-Y60 AromaticContact CE1-CZ 3.85Å; F56-P65 HydrophobicContact CD1-CB 4.1Å; F56-P65 HydrophobicContact CE1-CB 4.42Å; F56-V99 HydrophobicContact CE1-CG2 3.58Å; F56-V99 HydrophobicContact CZ-CG2 3.54Å
57	P	97.8	Very high	97.8	Very high	30 Å²	30	49.2 Å²	49.2	20%	0.195	25%	0.254	C	S	.	.			trans	-75.2	159.8	170.7	34.4	-37.1	0	0	0	110.7	D59 Y60 K63 P64	P57-D59 WeakPolarHBondContact CB-OD1 3.44Å; P57-D59 PolarHBondContact O-N 3.16Å; P57-Y60 WeakPolarHBondContact O-CB 3.33Å; P57-Y60 PolarHBondContact O-N 2.74Å; P57-Y60 VanDerWaalsContact O-N 3.1Å; P57-K63 HydrophobicContact CB-CB 4.26Å; P57-K63 HydrophobicContact CG-CB 3.7Å; P57-P64 WeakPolarHBondContact CD-O 3.43Å; P57-P64 WeakPolarHBondContact CG-O 3.46Å
58	T	96.5	Very high	97.9	Very high	129 Å²	129	47 Å²	47	79%	0.791	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.7	-179.6	50.4	0	0	0	0	113.4	A2	A2-T58 WeakPolarHBondContact CB-O 3.42Å
59	D	96.2	Very high	98	Very high	49 Å²	49	47.4 Å²	47.4	26%	0.262	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	17.3	177.2	59.2	-3.1	0	0	0	113.6	P57 F62 K63	P57-D59 WeakPolarHBondContact CB-OD1 3.44Å; P57-D59 PolarHBondContact O-N 3.16Å; D59-F62 WeakPolarHBondContact O-CB 3.49Å; D59-F62 WeakPolarHBondContact O-CD2 3.13Å; D59-F62 PolarHBondContact O-N 2.94Å; D59-K63 WeakPolarHBondContact OD1-CB 3.32Å; D59-K63 WeakPolarHBondContact OD1-CD 3.37Å; D59-K63 WeakPolarHBondContact OD1-CG 3.45Å; D59-K63 WeakPolarHBondContact OD2-CD 3.32Å; D59-K63 WeakPolarHBondContact OD2-CE 3.33Å; D59-K63 WeakPolarHBondContact OD2-CG 3.4Å; D59-K63 IonicContact OD2-NZ 3.52Å; D59-K63 PolarHBondContact OD2-NZ 3.49Å
60	Y	97.9	Very high	98	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.008	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	136.7	171.5	-169.8	-105.5	0	0	0	111	A2 R5 I6 E9 F56 P57 K63 P65 W93	A2-Y60 WeakPolarHBondContact CA-O 3.37Å; A2-Y60 WeakPolarHBondContact CB-O 3.35Å; R5-Y60 HydrophobicContact CB-CD1 4.47Å; R5-Y60 HydrophobicContact CG-CD1 3.89Å; R5-Y60 HydrophobicContact CG-CE1 3.64Å; I6-Y60 HydrophobicContact CD1-CD1 4.45Å; I6-Y60 HydrophobicContact CG1-CD1 3.79Å; I6-Y60 HydrophobicContact CG1-CE1 4.19Å; E9-Y60 VanDerWaalsContact CD-OH 3.31Å; E9-Y60 WeakPolarHBondContact OE1-CE1 3.44Å; E9-Y60 PolarHBondContact OE1-OH 2.7Å; E9-Y60 PolarHBondContact OE2-OH 3.47Å; F56-Y60 AromaticContact CD1-CD1 3.87Å; F56-Y60 HydrophobicContact CD1-CD1 3.87Å; F56-Y60 AromaticContact CD1-CD2 3.81Å; F56-Y60 HydrophobicContact CD1-CD2 3.81Å; F56-Y60 AromaticContact CD1-CE1 3.89Å; F56-Y60 HydrophobicContact CD1-CE1 3.89Å; F56-Y60 AromaticContact CD1-CE2 3.86Å; F56-Y60 HydrophobicContact CD1-CE2 3.86Å; F56-Y60 AromaticContact CD1-CG 3.84Å; F56-Y60 HydrophobicContact CD1-CG 3.84Å; F56-Y60 AromaticContact CD1-CZ 3.91Å; F56-Y60 HydrophobicContact CE1-CD1 4.36Å; F56-Y60 AromaticContact CE1-CE1 3.93Å; F56-Y60 HydrophobicContact CE1-CE1 3.93Å; F56-Y60 HydrophobicContact CE1-CE2 4.17Å; F56-Y60 AromaticContact CE1-CZ 3.85Å; P57-Y60 WeakPolarHBondContact O-CB 3.33Å; P57-Y60 PolarHBondContact O-N 2.74Å; P57-Y60 VanDerWaalsContact O-N 3.1Å; Y60-K63 WeakPolarHBondContact CD2-O 3.46Å; Y60-P65 HydrophobicContact CE2-CG 4.46Å; Y60-W93 HydrophobicContact CD2-CZ2 4.25Å; Y60-W93 AromaticContact CE2-CH2 3.67Å; Y60-W93 HydrophobicContact CE2-CH2 3.67Å; Y60-W93 AromaticContact CE2-CZ2 3.5Å; Y60-W93 HydrophobicContact CE2-CZ2 3.5Å
61	P	97.4	Very high	97.9	Very high	14 Å²	14	50 Å²	50	9%	0.091	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.1	16.8	6.7	39.1	-36.6	0	0	0	115	R5 K63 W93 P95	R5-P61 HydrophobicContact CG-CB 4.3Å; R5-P61 HydrophobicContact CG-CG 4.15Å; P61-K63 VanDerWaalsContact C-N 3.29Å; P61-K63 PolarHBondContact O-N 3.3Å; P61-W93 HydrophobicContact CB-CZ2 4.4Å; P61-W93 PolarHBondContact O-NE1 2.88Å; P61-P95 HydrophobicContact CB-CB 4.26Å; P61-P95 HydrophobicContact CG-CB 4.1Å; P61-P95 WeakPolarHBondContact O-CA 3.27Å
62	F	97.1	Very high	97.9	Very high	145 Å²	145	51.9 Å²	51.9	64%	0.636	27%	0.266	S	S	*	.	S	Bend	trans	-74.4	-21.8	-179.6	-59.7	-71.8	0	0	0	113.1	D59 P95	D59-F62 WeakPolarHBondContact O-CB 3.49Å; D59-F62 WeakPolarHBondContact O-CD2 3.13Å; D59-F62 PolarHBondContact O-N 2.94Å; F62-P95 HydrophobicContact CD1-CG 4.23Å
63	K	97	Very high	97.9	Very high	113 Å²	113	52.4 Å²	52.4	49%	0.491	27%	0.269	S	S	.	.	S	Bend	trans	-116.9	150.4	166.2	-70.2	-172	-175.1	133.3	0	111.1	P57 D59 Y60 P61	P57-K63 HydrophobicContact CB-CB 4.26Å; P57-K63 HydrophobicContact CG-CB 3.7Å; D59-K63 WeakPolarHBondContact OD1-CB 3.32Å; D59-K63 WeakPolarHBondContact OD1-CD 3.37Å; D59-K63 WeakPolarHBondContact OD1-CG 3.45Å; D59-K63 WeakPolarHBondContact OD2-CD 3.32Å; D59-K63 WeakPolarHBondContact OD2-CE 3.33Å; D59-K63 WeakPolarHBondContact OD2-CG 3.4Å; D59-K63 IonicContact OD2-NZ 3.52Å; D59-K63 PolarHBondContact OD2-NZ 3.49Å; Y60-K63 WeakPolarHBondContact CD2-O 3.46Å; P61-K63 VanDerWaalsContact C-N 3.29Å; P61-K63 PolarHBondContact O-N 3.3Å
64	P	97.7	Very high	97.9	Very high	36 Å²	36	52 Å²	52	23%	0.234	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-66.9	153.5	177.6	26.1	-32.9	0	0	0	111.9	P57 L89 W93	P57-P64 WeakPolarHBondContact CD-O 3.43Å; P57-P64 WeakPolarHBondContact CG-O 3.46Å; P64-L89 WeakPolarHBondContact CG-O 3.2Å; P64-W93 HydrophobicContact CB-CB 3.97Å; P64-W93 HydrophobicContact CB-CD2 3.54Å; P64-W93 HydrophobicContact CB-CE3 3.77Å; P64-W93 HydrophobicContact CB-CG 3.61Å; P64-W93 HydrophobicContact CG-CB 4.12Å; P64-W93 HydrophobicContact CG-CD2 4.48Å; P64-W93 HydrophobicContact CG-CG 4.06Å
65	P	98	Very high	97.9	Very high	3 Å²	3	52 Å²	52	2%	0.019	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-69.3	148.3	166.6	32.5	-31.3	0	0	0	109.9	I54 H55 F56 Y60 V67	I54-P65 HydrophobicContact CG2-CB 3.91Å; H55-P65 CarbonylContact O-C 3.56Å; H55-P65 WeakPolarHBondContact O-CA 3.4Å; F56-P65 HydrophobicContact CD1-CB 4.1Å; F56-P65 HydrophobicContact CE1-CB 4.42Å; Y60-P65 HydrophobicContact CE2-CG 4.46Å; P65-V67 HydrophobicContact CB-CG2 4.45Å; P65-V67 HydrophobicContact CG-CG2 4.22Å
66	K	98.2	Very high	97.9	Very high	167 Å²	167	48 Å²	48	73%	0.726	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82	117.1	169.2	-66	-178	-179.6	179.2	0	108.4	I54 H55	I54-K66 CarbonylContact C-O 3.55Å; I54-K66 WeakPolarHBondContact CA-O 3.48Å; H55-K66 HydrophobicContact CB-CB 4.36Å; H55-K66 PolarHBondContact N-O 3.14Å; H55-K66 PolarHBondContact O-N 2.9Å
67	V	98.4	Very high	97.9	Very high	16 Å²	16	47.4 Å²	47.4	10%	0.097	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.1	179.1	-172.5	0	0	0	0	109.5	L52 T53 I54 P65 I84 L89 V102 I106	L52-V67 HydrophobicContact CB-CG1 4.48Å; L52-V67 HydrophobicContact CD2-CG1 3.87Å; T53-V67 WeakPolarHBondContact O-CA 3.31Å; I54-V67 HydrophobicContact CG1-CG1 4.13Å; I54-V67 HydrophobicContact CG1-CG2 4.14Å; I54-V67 HydrophobicContact CG2-CG2 4.29Å; P65-V67 HydrophobicContact CB-CG2 4.45Å; P65-V67 HydrophobicContact CG-CG2 4.22Å; V67-I84 HydrophobicContact CB-CD1 4.39Å; V67-I84 HydrophobicContact CG1-CD1 3.96Å; V67-L89 HydrophobicContact CB-CD1 4.09Å; V67-L89 HydrophobicContact CB-CD2 4.46Å; V67-L89 HydrophobicContact CG2-CD1 4.44Å; V67-L89 HydrophobicContact CG2-CD2 3.92Å; V67-V102 HydrophobicContact CG2-CG1 4.18Å; V67-I106 HydrophobicContact CG1-CD1 3.93Å
68	A	98.4	Very high	98	Very high	26 Å²	26	46 Å²	46	22%	0.215	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146	176.3	0	0	0	0	0	111.3	L52 T53 G82	L52-A68 CarbonylContact C-O 3.5Å; L52-A68 WeakPolarHBondContact CA-O 3.42Å; L52-A68 WeakPolarHBondContact CB-O 3.38Å; T53-A68 HydrophobicContact CG2-CB 4.1Å; T53-A68 PolarHBondContact N-O 3.43Å; T53-A68 PolarHBondContact O-N 3.06Å; A68-G82 CarbonylContact C-O 3.22Å; A68-G82 VanDerWaalsContact CA-O 3.22Å; A68-G82 WeakPolarHBondContact CA-O 3.36Å; A68-G82 WeakPolarHBondContact CB-O 3.22Å
69	F	98.6	Very high	98	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.035	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	133.8	169.9	-79.8	-103.9	0	0	0	110.4	F50 L52 I73 I78 G82 I84 I106 L110	F50-F69 HydrophobicContact CB-CD1 4.1Å; F50-F69 HydrophobicContact CB-CE1 3.77Å; F50-F69 HydrophobicContact CD1-CD1 4.48Å; F50-F69 HydrophobicContact CD1-CE1 4.33Å; F50-F69 HydrophobicContact CG-CE1 4.21Å; L52-F69 HydrophobicContact CD1-CE1 4.31Å; L52-F69 HydrophobicContact CD2-CD1 4.46Å; L52-F69 HydrophobicContact CD2-CD2 3.86Å; L52-F69 HydrophobicContact CD2-CE1 4.32Å; L52-F69 HydrophobicContact CD2-CE2 3.67Å; L52-F69 HydrophobicContact CD2-CG 4.25Å; L52-F69 HydrophobicContact CD2-CZ 3.92Å; L52-F69 HydrophobicContact CG-CD1 4.17Å; L52-F69 HydrophobicContact CG-CD2 4.3Å; L52-F69 HydrophobicContact CG-CE1 4.29Å; L52-F69 HydrophobicContact CG-CE2 4.39Å; L52-F69 HydrophobicContact CG-CG 4.18Å; L52-F69 HydrophobicContact CG-CZ 4.39Å; F69-I73 HydrophobicContact CD1-CG2 4.28Å; F69-I73 HydrophobicContact CE1-CD1 4.27Å; F69-I73 HydrophobicContact CG-CG2 4.47Å; F69-I78 HydrophobicContact CB-CG2 4.37Å; F69-I78 HydrophobicContact CD2-CD1 3.86Å; F69-I78 HydrophobicContact CD2-CG1 4.31Å; F69-I78 HydrophobicContact CD2-CG2 3.88Å; F69-I78 HydrophobicContact CE1-CD1 4.37Å; F69-I78 HydrophobicContact CE2-CD1 3.36Å; F69-I78 HydrophobicContact CE2-CG1 4.12Å; F69-I78 HydrophobicContact CG-CG2 4.24Å; F69-I78 HydrophobicContact CZ-CD1 3.66Å; F69-G82 PolarHBondContact N-O 3.32Å; F69-G82 WeakPolarHBondContact O-CA 3.4Å; F69-I84 HydrophobicContact CD2-CD1 3.69Å; F69-I84 HydrophobicContact CD2-CG1 3.76Å; F69-I84 HydrophobicContact CE2-CD1 3.6Å; F69-I84 HydrophobicContact CE2-CG1 3.92Å; F69-I106 HydrophobicContact CE2-CG2 3.87Å; F69-I106 HydrophobicContact CZ-CG2 3.72Å; F69-L110 HydrophobicContact CZ-CD2 4.44Å
70	T	98.3	Very high	97.9	Very high	85 Å²	85	44.5 Å²	44.5	52%	0.521	23%	0.229	S	C	.	.	S	Bend	trans	-96.5	-27.6	166.4	56.1	0	0	0	0	111	F51 T53	F51-T70 VanDerWaalsContact C-OG1 3.3Å; F51-T70 WeakPolarHBondContact CB-OG1 3.37Å; F51-T70 PolarHBondContact O-N 3.45Å; F51-T70 PolarHBondContact O-OG1 3.17Å; F51-T70 VanDerWaalsContact O-OG1 3.06Å; T53-T70 HydrophobicContact CG2-CG2 4.15Å
71	T	98.4	Very high	97.8	Very high	16 Å²	16	50.7 Å²	50.7	10%	0.098	26%	0.262	C	S	.	.	S	Bend	trans	-79.1	132.8	170.2	-58.3	0	0	0	0	110.4	F50 F51 Y145 A146	F50-T71 HydrophobicContact CD1-CG2 3.84Å; F50-T71 HydrophobicContact CE1-CG2 4.41Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.44Å; F51-T71 PolarHBondContact N-OG1 2.67Å; F51-T71 PolarHBondContact O-N 3.39Å; T71-Y145 VanDerWaalsContact CG2-O 3.27Å; T71-Y145 WeakPolarHBondContact CG2-O 3.43Å; T71-A146 HydrophobicContact CG2-CB 3.92Å
72	K	98.2	Very high	97.7	Very high	119 Å²	119	50.2 Å²	50.2	52%	0.517	26%	0.26	S	S	.	.			trans	-66	138.9	174.9	-68.1	-176.7	-179.7	-179.9	0	110.6	W141 Y145	K72-W141 HydrophobicContact CB-CE3 4.29Å; K72-W141 HydrophobicContact CB-CZ3 4.05Å; K72-Y145 HydrophobicContact CB-CD1 4.27Å; K72-Y145 HydrophobicContact CB-CD2 4Å; K72-Y145 HydrophobicContact CB-CG 3.86Å; K72-Y145 HydrophobicContact CD-CD1 4.16Å; K72-Y145 HydrophobicContact CD-CE1 4.01Å
73	I	98.6	Very high	97.8	Very high	11 Å²	11	45.7 Å²	45.7	6%	0.056	25%	0.247	C	C	.	.			trans	-143.1	145	-179.4	-169.7	172.2	0	0	0	110.6	Y45 F50 F69 H75 I78 L110 W141	Y45-I73 HydrophobicContact CD1-CD1 3.9Å; Y45-I73 HydrophobicContact CD1-CG1 4.04Å; Y45-I73 HydrophobicContact CE1-CD1 3.73Å; Y45-I73 HydrophobicContact CE1-CG1 3.64Å; F50-I73 HydrophobicContact CD1-CB 4.29Å; F50-I73 HydrophobicContact CD1-CD1 4Å; F50-I73 HydrophobicContact CD1-CG1 4.34Å; F50-I73 HydrophobicContact CE1-CB 4.06Å; F50-I73 HydrophobicContact CE1-CD1 3.72Å; F50-I73 HydrophobicContact CE1-CG1 3.8Å; F50-I73 HydrophobicContact CZ-CD1 4.18Å; F50-I73 HydrophobicContact CZ-CG1 4.46Å; F69-I73 HydrophobicContact CD1-CG2 4.28Å; F69-I73 HydrophobicContact CE1-CD1 4.27Å; F69-I73 HydrophobicContact CG-CG2 4.47Å; I73-H75 HydrophobicContact CD1-CB 4.44Å; I73-H75 HydrophobicContact CG1-CB 4.29Å; I73-H75 HydrophobicContact CG2-CB 4.41Å; I73-I78 HydrophobicContact CD1-CD1 4.29Å; I73-I78 HydrophobicContact CG2-CB 3.94Å; I73-I78 HydrophobicContact CG2-CD1 3.86Å; I73-I78 HydrophobicContact CG2-CG2 3.66Å; I73-L110 HydrophobicContact CD1-CD2 3.48Å; I73-L110 VanDerWaalsContact CD1-CD2 3.48Å; I73-W141 VanDerWaalsContact C-CE3 3.49Å
74	Y	98.5	Very high	97.8	Very high	26 Å²	26	40.7 Å²	40.7	10%	0.102	23%	0.225	C	C	.	.			trans	-94.5	99.3	172.6	-170.2	-95.8	0	0	0	109.1	Y45 I123 Y134 L137 A138 W141	Y45-Y74 WeakPolarHBondContact CE1-O 3.41Å; Y45-Y74 PolarHBondContact OH-O 3.27Å; Y74-I123 HydrophobicContact CD1-CG2 4.07Å; Y74-I123 HydrophobicContact CD2-CD1 3.74Å; Y74-I123 HydrophobicContact CD2-CG1 4.24Å; Y74-I123 HydrophobicContact CE1-CB 4.49Å; Y74-I123 HydrophobicContact CE1-CG1 4.28Å; Y74-I123 HydrophobicContact CE1-CG2 3.67Å; Y74-I123 HydrophobicContact CE2-CD1 3.7Å; Y74-I123 HydrophobicContact CE2-CG1 3.67Å; Y74-I123 HydrophobicContact CG-CD1 4.17Å; Y74-Y134 HydrophobicContact CD1-CD2 4.21Å; Y74-Y134 HydrophobicContact CD1-CE2 4.1Å; Y74-Y134 AromaticContact CE1-CD2 3.78Å; Y74-Y134 HydrophobicContact CE1-CD2 3.78Å; Y74-Y134 HydrophobicContact CE1-CE2 4.07Å; Y74-L137 HydrophobicContact CD1-CB 4.09Å; Y74-L137 HydrophobicContact CE1-CB 3.84Å; Y74-L137 HydrophobicContact CE1-CD1 4.22Å; Y74-L137 HydrophobicContact CE2-CB 4.48Å; Y74-L137 HydrophobicContact CE2-CD1 4.44Å; Y74-L137 WeakPolarHBondContact OH-CD1 3.24Å; Y74-A138 HydrophobicContact CD1-CB 4.17Å; Y74-W141 HydrophobicContact CD2-CD2 4.29Å; Y74-W141 AromaticContact CD2-CE2 3.94Å; Y74-W141 HydrophobicContact CD2-CZ2 4.26Å; Y74-W141 AromaticContact CD2-NE1 3.96Å; Y74-W141 HydrophobicContact CG-CD2 4.5Å; Y74-W141 HydrophobicContact CG-CG 4.44Å
75	H	98.6	Very high	97.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-152.6	139.8	-174.2	-172.3	-83.4	0	0	0	110.8	Y45 I73 N77 I78 L109	Y45-H75 AromaticContact CZ-CD2 3.96Å; Y45-H75 PolarHBondContact OH-CD2 3.28Å; Y45-H75 VanDerWaalsContact OH-CD2 3.27Å; I73-H75 HydrophobicContact CD1-CB 4.44Å; I73-H75 HydrophobicContact CG1-CB 4.29Å; I73-H75 HydrophobicContact CG2-CB 4.41Å; H75-N77 VanDerWaalsContact C-N 3.33Å; H75-N77 PolarHBondContact CE1-OD1 3.5Å; H75-N77 PolarHBondContact ND1-N 2.94Å; H75-N77 PolarHBondContact O-N 2.77Å; H75-I78 HydrophobicContact CB-CB 4.13Å; H75-I78 HydrophobicContact CB-CD1 3.97Å; H75-I78 HydrophobicContact CB-CG1 4.24Å; H75-I78 PolarHBondContact O-N 3.15Å; H75-L109 PolarHBondContact NE2-O 3.01Å
76	P	98.3	Very high	97.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-28.4	-175.1	26.7	-34.9	0	0	0	113.9	P113 L119 V120 I123 A124	P76-P113 HydrophobicContact CG-CB 3.48Å; P76-P113 VanDerWaalsContact CG-CB 3.48Å; P76-P113 HydrophobicContact CG-CG 4.45Å; P76-L119 PolarHBondContact O-N 2.76Å; P76-V120 PolarHBondContact O-N 3.32Å; P76-I123 HydrophobicContact CB-CB 4.39Å; P76-I123 HydrophobicContact CB-CG2 4.08Å; P76-A124 HydrophobicContact CB-CB 3.79Å
77	N	98.5	Very high	97.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	5.3	179.3	-48.8	96.9	0	0	0	114.3	H75 C85 L109 N114 D117	H75-N77 VanDerWaalsContact C-N 3.33Å; H75-N77 PolarHBondContact CE1-OD1 3.5Å; H75-N77 PolarHBondContact ND1-N 2.94Å; H75-N77 PolarHBondContact O-N 2.77Å; N77-C85 HydrophobicContact CB-CB 4.24Å; N77-C85 PolarHBondContact O-N 2.84Å; N77-L109 HydrophobicContact CB-CD1 4.35Å; N77-L109 HydrophobicContact CB-CD2 4.08Å; N77-N114 PolarHBondContact ND2-O 3.03Å; N77-N114 PolarHBondContact OD1-N 2.85Å; N77-N114 PolarHBondContact OD1-O 2.88Å; N77-D117 PolarHBondContact ND2-O 2.83Å
78	I	98.5	Very high	97	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-128.4	121.7	179.6	-53.3	162.7	0	0	0	108.6	F69 I73 H75 S83 I84 L110	F69-I78 HydrophobicContact CB-CG2 4.37Å; F69-I78 HydrophobicContact CD2-CD1 3.86Å; F69-I78 HydrophobicContact CD2-CG1 4.31Å; F69-I78 HydrophobicContact CD2-CG2 3.88Å; F69-I78 HydrophobicContact CE1-CD1 4.37Å; F69-I78 HydrophobicContact CE2-CD1 3.36Å; F69-I78 HydrophobicContact CE2-CG1 4.12Å; F69-I78 HydrophobicContact CG-CG2 4.24Å; F69-I78 HydrophobicContact CZ-CD1 3.66Å; I73-I78 HydrophobicContact CD1-CD1 4.29Å; I73-I78 HydrophobicContact CG2-CB 3.94Å; I73-I78 HydrophobicContact CG2-CD1 3.86Å; I73-I78 HydrophobicContact CG2-CG2 3.66Å; H75-I78 HydrophobicContact CB-CB 4.13Å; H75-I78 HydrophobicContact CB-CD1 3.97Å; H75-I78 HydrophobicContact CB-CG1 4.24Å; H75-I78 PolarHBondContact O-N 3.15Å; I78-S83 VanDerWaalsContact CA-O 3.32Å; I78-S83 WeakPolarHBondContact CA-O 3.46Å; I78-I84 HydrophobicContact CG1-CG1 4.46Å; I78-I84 HydrophobicContact CG1-CG2 4.5Å; I78-L110 HydrophobicContact CD1-CD2 4.13Å
79	N	96.6	Very high	96.8	Very high	41 Å²	41	36.3 Å²	36.3	22%	0.219	20%	0.203	C	C	.	.			trans	-88.2	175.8	-178.3	71	12.7	0	0	0	112.3	N81 G82 S83 L119 V120	N79-N81 PolarHBondContact O-N 2.99Å; N79-N81 WeakPolarHBondContact OD1-CA 3.49Å; N79-N81 PolarHBondContact OD1-N 3.21Å; N79-N81 VanDerWaalsContact OD1-N 3.11Å; N79-G82 WeakPolarHBondContact O-CA 3.49Å; N79-G82 PolarHBondContact O-N 3.31Å; N79-G82 PolarHBondContact OD1-N 3.31Å; N79-S83 PolarHBondContact N-O 3.09Å; N79-S83 WeakPolarHBondContact OD1-CB 3.47Å; N79-S83 PolarHBondContact OD1-N 2.86Å; N79-L119 HydrophobicContact CB-CD2 3.71Å; N79-L119 HydrophobicContact CB-CG 4.09Å; N79-V120 HydrophobicContact CB-CG2 4.04Å
80	S	94.3	Very high	96.5	Very high	105 Å²	105	42.4 Å²	42.4	73%	0.734	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.9	179.4	51.6	0	0	0	0	114.7	G82	S80-G82 VanDerWaalsContact C-N 3.27Å
81	N	95.6	Very high	96.3	Very high	131 Å²	131	43.3 Å²	43.3	70%	0.701	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	3.3	173	-62.9	-21.4	0	0	0	112.4	N79 S83	N79-N81 PolarHBondContact O-N 2.99Å; N79-N81 WeakPolarHBondContact OD1-CA 3.49Å; N79-N81 PolarHBondContact OD1-N 3.21Å; N79-N81 VanDerWaalsContact OD1-N 3.11Å; N81-S83 VanDerWaalsContact C-N 3.26Å; N81-S83 PolarHBondContact O-N 2.93Å
82	G	97	Very high	96.1	Very high	5 Å²	5	48.4 Å²	48.4	5%	0.052	26%	0.259	C	S	.	.			trans	75.6	7.4	-179.5	0	0	0	0	0	115.1	A68 F69 N79 S80	A68-G82 CarbonylContact C-O 3.22Å; A68-G82 VanDerWaalsContact CA-O 3.22Å; A68-G82 WeakPolarHBondContact CA-O 3.36Å; A68-G82 WeakPolarHBondContact CB-O 3.22Å; F69-G82 PolarHBondContact N-O 3.32Å; F69-G82 WeakPolarHBondContact O-CA 3.4Å; N79-G82 WeakPolarHBondContact O-CA 3.49Å; N79-G82 PolarHBondContact O-N 3.31Å; N79-G82 PolarHBondContact OD1-N 3.31Å; S80-G82 VanDerWaalsContact C-N 3.27Å
83	S	97.4	Very high	96.1	Very high	50 Å²	50	44.1 Å²	44.1	35%	0.35	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-67.6	140.2	176	-57.1	0	0	0	0	110.3	I78 N79 N81 L119	I78-S83 VanDerWaalsContact CA-O 3.32Å; I78-S83 WeakPolarHBondContact CA-O 3.46Å; N79-S83 PolarHBondContact N-O 3.09Å; N79-S83 WeakPolarHBondContact OD1-CB 3.47Å; N79-S83 PolarHBondContact OD1-N 2.86Å; N81-S83 VanDerWaalsContact C-N 3.26Å; N81-S83 PolarHBondContact O-N 2.93Å; S83-L119 WeakPolarHBondContact O-CD2 3.36Å
84	I	97.8	Very high	96.1	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.041	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-107.3	132.5	-176.5	-50.3	171.4	0	0	0	109.1	L52 V67 F69 I78 L86 L89 R90 I106 L109	L52-I84 HydrophobicContact CD2-CD1 4.17Å; V67-I84 HydrophobicContact CB-CD1 4.39Å; V67-I84 HydrophobicContact CG1-CD1 3.96Å; F69-I84 HydrophobicContact CD2-CD1 3.69Å; F69-I84 HydrophobicContact CD2-CG1 3.76Å; F69-I84 HydrophobicContact CE2-CD1 3.6Å; F69-I84 HydrophobicContact CE2-CG1 3.92Å; I78-I84 HydrophobicContact CG1-CG1 4.46Å; I78-I84 HydrophobicContact CG1-CG2 4.5Å; I84-L86 HydrophobicContact CG2-CB 3.89Å; I84-L89 HydrophobicContact CB-CD1 4.38Å; I84-R90 PolarHBondContact O-NH2 3.1Å; I84-I106 HydrophobicContact CD1-CD1 3.81Å; I84-I106 HydrophobicContact CD1-CG1 4.29Å; I84-L109 HydrophobicContact CG2-CD2 4.05Å
85	C	94.5	Very high	96	Very high	9 Å²	9	47.4 Å²	47.4	6%	0.061	27%	0.266	C	S	.	.			trans	-91.6	96.8	163.5	-150.6	0	0	0	0	108.9	N77 D117 L119	N77-C85 HydrophobicContact CB-CB 4.24Å; N77-C85 PolarHBondContact O-N 2.84Å; C85-D117 PolarHBondContact SG-OD2 2.94Å; C85-L119 HydrophobicContact CB-CB 4.19Å; C85-L119 HydrophobicContact CB-CD1 4.32Å
86	L	93.8	Very high	95.9	Very high	20 Å²	20	50.6 Å²	50.6	11%	0.105	29%	0.292	C	S	.	.			trans	-142.8	125.3	175.8	-175	65.6	0	0	0	107.7	I84 I88 L89 I106	I84-L86 HydrophobicContact CG2-CB 3.89Å; L86-I88 VanDerWaalsContact C-N 3.33Å; L86-I88 HydrophobicContact CD1-CG1 4.49Å; L86-I88 HydrophobicContact CD2-CD1 3.96Å; L86-I88 HydrophobicContact CD2-CG1 3.61Å; L86-I88 HydrophobicContact CG-CG1 3.68Å; L86-I88 PolarHBondContact O-N 3.32Å; L86-L89 HydrophobicContact CB-CD1 4.26Å; L86-L89 HydrophobicContact CB-CG 4.47Å; L86-L89 HydrophobicContact CD2-CD1 4.38Å; L86-L89 HydrophobicContact CD2-CG 4.41Å; L86-L89 WeakPolarHBondContact O-CB 3.27Å; L86-L89 PolarHBondContact O-N 2.97Å; L86-L89 VanDerWaalsContact O-N 3.09Å; L86-I106 HydrophobicContact CD2-CG1 4.02Å
87	D	92.3	Very high	95.9	Very high	81 Å²	81	52 Å²	52	43%	0.433	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-61.9	-37.2	-171.8	61.6	-16.6	0	0	0	113.2	L89 R90 S91 Q92	D87-L89 PolarHBondContact O-N 3.18Å; D87-R90 CarbonylContact O-C 3.59Å; D87-R90 WeakPolarHBondContact O-CA 3.37Å; D87-R90 PolarHBondContact O-N 3.39Å; D87-S91 PolarHBondContact O-N 2.98Å; D87-Q92 HydrophobicContact CB-CB 4.21Å; D87-Q92 HydrophobicContact CB-CG 3.9Å; D87-Q92 PolarHBondContact O-N 3.47Å
88	I	95.2	Very high	95.8	Very high	24 Å²	24	53.8 Å²	53.8	12%	0.123	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-65.8	-17.7	177	64.1	156.8	0	0	0	113	L86 R90 Q92 W93 L97 V102 S105	L86-I88 VanDerWaalsContact C-N 3.33Å; L86-I88 HydrophobicContact CD1-CG1 4.49Å; L86-I88 HydrophobicContact CD2-CD1 3.96Å; L86-I88 HydrophobicContact CD2-CG1 3.61Å; L86-I88 HydrophobicContact CG-CG1 3.68Å; L86-I88 PolarHBondContact O-N 3.32Å; I88-R90 VanDerWaalsContact C-N 3.3Å; I88-Q92 HydrophobicContact CG2-CB 4.35Å; I88-W93 WeakPolarHBondContact O-CA 3.36Å; I88-W93 WeakPolarHBondContact O-CB 3.47Å; I88-W93 VanDerWaalsContact O-CE3 3.31Å; I88-L97 HydrophobicContact CB-CD1 3.83Å; I88-L97 HydrophobicContact CG2-CD1 4.13Å; I88-V102 HydrophobicContact CD1-CG2 4.1Å; I88-S105 WeakPolarHBondContact CD1-OG 3.38Å
89	L	94.8	Very high	95.7	Very high	21 Å²	21	53.8 Å²	53.8	11%	0.11	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-88.6	1.9	171.7	-66.1	176.1	0	0	0	112.6	P64 V67 I84 L86 D87 V102	P64-L89 WeakPolarHBondContact CG-O 3.2Å; V67-L89 HydrophobicContact CB-CD1 4.09Å; V67-L89 HydrophobicContact CB-CD2 4.46Å; V67-L89 HydrophobicContact CG2-CD1 4.44Å; V67-L89 HydrophobicContact CG2-CD2 3.92Å; I84-L89 HydrophobicContact CB-CD1 4.38Å; L86-L89 HydrophobicContact CB-CD1 4.26Å; L86-L89 HydrophobicContact CB-CG 4.47Å; L86-L89 HydrophobicContact CD2-CD1 4.38Å; L86-L89 HydrophobicContact CD2-CG 4.41Å; L86-L89 WeakPolarHBondContact O-CB 3.27Å; L86-L89 PolarHBondContact O-N 2.97Å; L86-L89 VanDerWaalsContact O-N 3.09Å; D87-L89 PolarHBondContact O-N 3.18Å; L89-V102 HydrophobicContact CD2-CG1 3.81Å; L89-V102 HydrophobicContact CD2-CG2 4.28Å
90	R	91.9	Very high	95.6	Very high	136 Å²	136	53.2 Å²	53.2	51%	0.513	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.4	-107	-174.7	-59.5	-176.9	-174.5	-177.9	5.5	111	I84 D87 I88	I84-R90 PolarHBondContact O-NH2 3.1Å; D87-R90 CarbonylContact O-C 3.59Å; D87-R90 WeakPolarHBondContact O-CA 3.37Å; D87-R90 PolarHBondContact O-N 3.39Å; I88-R90 VanDerWaalsContact C-N 3.3Å
91	S	93.1	Very high	95.7	Very high	105 Å²	105	53.2 Å²	53.2	73%	0.734	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-27.9	-171.8	48.4	0	0	0	0	113.5	D87	D87-S91 PolarHBondContact O-N 2.98Å
92	Q	95.9	Very high	95.7	Very high	122 Å²	122	47 Å²	47	57%	0.57	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	12.9	-178.9	-61.1	-73.7	30.7	0	0	112.8	D87 I88 S94	D87-Q92 HydrophobicContact CB-CB 4.21Å; D87-Q92 HydrophobicContact CB-CG 3.9Å; D87-Q92 PolarHBondContact O-N 3.47Å; I88-Q92 HydrophobicContact CG2-CB 4.35Å; Q92-S94 PolarHBondContact O-N 3.29Å
93	W	97.8	Very high	95.7	Very high	30 Å²	30	46.8 Å²	46.8	11%	0.114	26%	0.261	C	S	.	.			trans	-63	131.2	173.6	176	-103.1	0	0	0	110.4	Y60 P61 P64 I88 L97 V102	Y60-W93 HydrophobicContact CD2-CZ2 4.25Å; Y60-W93 AromaticContact CE2-CH2 3.67Å; Y60-W93 HydrophobicContact CE2-CH2 3.67Å; Y60-W93 AromaticContact CE2-CZ2 3.5Å; Y60-W93 HydrophobicContact CE2-CZ2 3.5Å; P61-W93 HydrophobicContact CB-CZ2 4.4Å; P61-W93 PolarHBondContact O-NE1 2.88Å; P64-W93 HydrophobicContact CB-CB 3.97Å; P64-W93 HydrophobicContact CB-CD2 3.54Å; P64-W93 HydrophobicContact CB-CE3 3.77Å; P64-W93 HydrophobicContact CB-CG 3.61Å; P64-W93 HydrophobicContact CG-CB 4.12Å; P64-W93 HydrophobicContact CG-CD2 4.48Å; P64-W93 HydrophobicContact CG-CG 4.06Å; I88-W93 WeakPolarHBondContact O-CA 3.36Å; I88-W93 WeakPolarHBondContact O-CB 3.47Å; I88-W93 VanDerWaalsContact O-CE3 3.31Å; W93-L97 HydrophobicContact CE3-CB 4.06Å; W93-L97 HydrophobicContact CE3-CD1 3.88Å; W93-L97 HydrophobicContact CH2-CB 4Å; W93-L97 HydrophobicContact CZ3-CB 3.64Å; W93-L97 HydrophobicContact CZ3-CD1 4.23Å; W93-V102 HydrophobicContact CZ3-CG2 4.02Å
94	S	97.5	Very high	95.6	Very high	53 Å²	53	48.4 Å²	48.4	37%	0.371	27%	0.265	S	S	.	.			trans	-125.2	139.7	171.9	171.2	0	0	0	0	109.3	Q92 A96 L97	Q92-S94 PolarHBondContact O-N 3.29Å; S94-A96 PolarHBondContact O-N 3.41Å; S94-A96 PolarHBondContact OG-N 3.4Å; S94-L97 WeakPolarHBondContact O-CB 3.47Å; S94-L97 PolarHBondContact O-N 3.13Å
95	P	96.9	Very high	95.6	Very high	53 Å²	53	49.9 Å²	49.9	34%	0.344	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-14.8	172.9	-27.1	35.6	0	0	0	114.8	R5 P61 F62	R5-P95 PolarHBondContact NH1-O 3.24Å; R5-P95 PolarHBondContact NH2-O 2.95Å; R5-P95 VanDerWaalsContact NH2-O 3.14Å; P61-P95 HydrophobicContact CB-CB 4.26Å; P61-P95 HydrophobicContact CG-CB 4.1Å; P61-P95 WeakPolarHBondContact O-CA 3.27Å; F62-P95 HydrophobicContact CD1-CG 4.23Å
96	A	96.5	Very high	95.7	Very high	66 Å²	66	49.4 Å²	49.4	55%	0.545	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.5	174.1	0	0	0	0	0	114.1	S94	S94-A96 PolarHBondContact O-N 3.41Å; S94-A96 PolarHBondContact OG-N 3.4Å
97	L	97.3	Very high	95.8	Very high	31 Å²	31	49.1 Å²	49.1	16%	0.162	27%	0.272	C	S	.	.			trans	-76.7	149	172.2	-64.4	176.3	0	0	0	110.4	R5 I88 W93 S94 K101	R5-L97 PolarHBondContact NH2-O 3.05Å; I88-L97 HydrophobicContact CB-CD1 3.83Å; I88-L97 HydrophobicContact CG2-CD1 4.13Å; W93-L97 HydrophobicContact CE3-CB 4.06Å; W93-L97 HydrophobicContact CE3-CD1 3.88Å; W93-L97 HydrophobicContact CH2-CB 4Å; W93-L97 HydrophobicContact CZ3-CB 3.64Å; W93-L97 HydrophobicContact CZ3-CD1 4.23Å; S94-L97 WeakPolarHBondContact O-CB 3.47Å; S94-L97 PolarHBondContact O-N 3.13Å; L97-K101 HydrophobicContact CD2-CB 4.46Å; L97-K101 HydrophobicContact CD2-CD 4.04Å
98	T	96.7	Very high	95.9	Very high	37 Å²	37	48.9 Å²	48.9	23%	0.227	28%	0.277	C	S	.	.			trans	-124.7	164.2	179.8	61.8	0	0	0	0	109.8	E9 S100 K101 V102	E9-T98 HydrophobicContact CG-CG2 4.22Å; E9-T98 WeakPolarHBondContact OE2-CA 3.47Å; E9-T98 VanDerWaalsContact OE2-CB 3.27Å; E9-T98 WeakPolarHBondContact OE2-CB 3.31Å; T98-S100 PolarHBondContact O-N 3.3Å; T98-K101 PolarHBondContact O-N 3.2Å; T98-K101 VanDerWaalsContact O-N 3.1Å; T98-K101 PolarHBondContact OG1-N 3Å; T98-V102 WeakPolarHBondContact O-CG2 3.38Å; T98-V102 PolarHBondContact O-N 2.82Å
99	V	96.5	Very high	95.9	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-55.8	-41.4	174.2	174.3	0	0	0	0	111.5	E9 L13 A23 W33 I54 F56 K101 V102 L103	E9-V99 PolarHBondContact OE2-N 3.48Å; L13-V99 HydrophobicContact CD1-CB 4.15Å; L13-V99 HydrophobicContact CD1-CG1 4.09Å; A23-V99 HydrophobicContact CB-CG1 4.38Å; W33-V99 HydrophobicContact CE3-CG1 4.26Å; W33-V99 HydrophobicContact CZ3-CB 4.24Å; W33-V99 HydrophobicContact CZ3-CG1 4.09Å; W33-V99 HydrophobicContact CZ3-CG2 4.17Å; I54-V99 HydrophobicContact CD1-CG1 3.85Å; F56-V99 HydrophobicContact CE1-CG2 3.58Å; F56-V99 HydrophobicContact CZ-CG2 3.54Å; V99-K101 VanDerWaalsContact C-N 3.34Å; V99-K101 PolarHBondContact O-N 2.91Å; V99-V102 WeakPolarHBondContact O-CB 3.15Å; V99-V102 PolarHBondContact O-N 2.91Å; V99-V102 VanDerWaalsContact O-N 3.13Å; V99-L103 HydrophobicContact CG1-CD1 3.95Å; V99-L103 HydrophobicContact CG1-CG 4.18Å; V99-L103 WeakPolarHBondContact O-CG 3.35Å; V99-L103 PolarHBondContact O-N 3.31Å
100	S	95.4	Very high	96	Very high	28 Å²	28	47.6 Å²	47.6	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-56.6	-47.3	175.8	178	0	0	0	0	111.7	T98 V102 L103 L104	T98-S100 PolarHBondContact O-N 3.3Å; S100-V102 VanDerWaalsContact C-N 3.33Å; S100-V102 PolarHBondContact O-N 3.27Å; S100-L103 PolarHBondContact O-N 3.19Å; S100-L104 VanDerWaalsContact O-CG 3.32Å; S100-L104 WeakPolarHBondContact O-CG 3.33Å; S100-L104 PolarHBondContact O-N 3.23Å
101	K	95.6	Very high	96.2	Very high	105 Å²	105	44.8 Å²	44.8	46%	0.457	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-36.9	176.4	-69.2	-179.5	178.5	-176.3	0	112.8	L97 T98 V99 S105	L97-K101 HydrophobicContact CD2-CB 4.46Å; L97-K101 HydrophobicContact CD2-CD 4.04Å; T98-K101 PolarHBondContact O-N 3.2Å; T98-K101 VanDerWaalsContact O-N 3.1Å; T98-K101 PolarHBondContact OG1-N 3Å; V99-K101 VanDerWaalsContact C-N 3.34Å; V99-K101 PolarHBondContact O-N 2.91Å; K101-S105 WeakPolarHBondContact O-CB 3.23Å; K101-S105 PolarHBondContact O-N 3.05Å; K101-S105 PolarHBondContact O-OG 3.12Å
102	V	97.1	Very high	96.3	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-48.2	175.3	169.7	0	0	0	0	110.7	V67 I88 L89 W93 T98 V99 S100 L104 S105 I106	V67-V102 HydrophobicContact CG2-CG1 4.18Å; I88-V102 HydrophobicContact CD1-CG2 4.1Å; L89-V102 HydrophobicContact CD2-CG1 3.81Å; L89-V102 HydrophobicContact CD2-CG2 4.28Å; W93-V102 HydrophobicContact CZ3-CG2 4.02Å; T98-V102 WeakPolarHBondContact O-CG2 3.38Å; T98-V102 PolarHBondContact O-N 2.82Å; V99-V102 WeakPolarHBondContact O-CB 3.15Å; V99-V102 PolarHBondContact O-N 2.91Å; V99-V102 VanDerWaalsContact O-N 3.13Å; S100-V102 VanDerWaalsContact C-N 3.33Å; S100-V102 PolarHBondContact O-N 3.27Å; V102-L104 PolarHBondContact O-N 3.42Å; V102-S105 WeakPolarHBondContact O-CB 3.05Å; V102-S105 PolarHBondContact O-N 3.47Å; V102-S105 VanDerWaalsContact O-N 3.17Å; V102-I106 HydrophobicContact CG1-CD1 3.96Å; V102-I106 WeakPolarHBondContact O-CG1 3.14Å; V102-I106 PolarHBondContact O-N 2.81Å
103	L	96.9	Very high	96.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-41.5	179.3	-66.6	174	0	0	0	112.1	C21 A23 A35 I37 I54 V99 S100 S105 I106 C107	C21-L103 HydrophobicContact CB-CB 4.31Å; C21-L103 HydrophobicContact CB-CD1 4.38Å; A23-L103 HydrophobicContact CB-CD1 3.85Å; A35-L103 HydrophobicContact CB-CD1 4.29Å; A35-L103 HydrophobicContact CB-CD2 3.75Å; I37-L103 HydrophobicContact CD1-CD2 4.23Å; I37-L103 HydrophobicContact CG1-CD2 4.45Å; I54-L103 HydrophobicContact CD1-CD2 4.42Å; V99-L103 HydrophobicContact CG1-CD1 3.95Å; V99-L103 HydrophobicContact CG1-CG 4.18Å; V99-L103 WeakPolarHBondContact O-CG 3.35Å; V99-L103 PolarHBondContact O-N 3.31Å; S100-L103 PolarHBondContact O-N 3.19Å; L103-S105 VanDerWaalsContact C-N 3.31Å; L103-S105 PolarHBondContact O-N 3.14Å; L103-I106 PolarHBondContact O-N 3.15Å; L103-C107 PolarHBondContact O-N 2.88Å; L103-C107 PolarHBondContact O-SG 2.94Å
104	L	95.2	Very high	96.2	Very high	83 Å²	83	41.4 Å²	41.4	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-39.8	173.9	-70.9	172.6	0	0	0	112	P18 S100 V102 I106 C107 S108	P18-L104 HydrophobicContact CB-CD2 3.85Å; P18-L104 HydrophobicContact CB-CG 4.14Å; S100-L104 VanDerWaalsContact O-CG 3.32Å; S100-L104 WeakPolarHBondContact O-CG 3.33Å; S100-L104 PolarHBondContact O-N 3.23Å; V102-L104 PolarHBondContact O-N 3.42Å; L104-I106 VanDerWaalsContact C-N 3.35Å; L104-C107 WeakPolarHBondContact O-CB 3.4Å; L104-C107 PolarHBondContact O-N 2.82Å; L104-S108 PolarHBondContact O-N 2.93Å
105	S	96.1	Very high	96	Very high	39 Å²	39	39.9 Å²	39.9	27%	0.273	24%	0.24	S	C	.	.	H	α-helix	trans	-67	-37	176.8	-55.9	0	0	0	0	111.7	I88 K101 V102 L103 S108 L109	I88-S105 WeakPolarHBondContact CD1-OG 3.38Å; K101-S105 WeakPolarHBondContact O-CB 3.23Å; K101-S105 PolarHBondContact O-N 3.05Å; K101-S105 PolarHBondContact O-OG 3.12Å; V102-S105 WeakPolarHBondContact O-CB 3.05Å; V102-S105 PolarHBondContact O-N 3.47Å; V102-S105 VanDerWaalsContact O-N 3.17Å; L103-S105 VanDerWaalsContact C-N 3.31Å; L103-S105 PolarHBondContact O-N 3.14Å; S105-S108 PolarHBondContact O-N 3.35Å; S105-L109 WeakPolarHBondContact O-CB 3.41Å; S105-L109 PolarHBondContact O-N 3.37Å
106	I	96.9	Very high	95.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.5	-40.7	173.3	-64.8	165	0	0	0	110.6	I37 L52 V67 F69 I84 L86 V102 L103 L104 S108 L109 L110	I37-I106 HydrophobicContact CD1-CB 3.99Å; I37-I106 HydrophobicContact CD1-CG2 3.55Å; L52-I106 HydrophobicContact CD2-CD1 4.03Å; L52-I106 HydrophobicContact CD2-CG2 4.46Å; V67-I106 HydrophobicContact CG1-CD1 3.93Å; F69-I106 HydrophobicContact CE2-CG2 3.87Å; F69-I106 HydrophobicContact CZ-CG2 3.72Å; I84-I106 HydrophobicContact CD1-CD1 3.81Å; I84-I106 HydrophobicContact CD1-CG1 4.29Å; L86-I106 HydrophobicContact CD2-CG1 4.02Å; V102-I106 HydrophobicContact CG1-CD1 3.96Å; V102-I106 WeakPolarHBondContact O-CG1 3.14Å; V102-I106 PolarHBondContact O-N 2.81Å; L103-I106 PolarHBondContact O-N 3.15Å; L104-I106 VanDerWaalsContact C-N 3.35Å; I106-S108 VanDerWaalsContact C-N 3.34Å; I106-S108 PolarHBondContact O-N 3.11Å; I106-L109 WeakPolarHBondContact O-CB 3.4Å; I106-L109 PolarHBondContact O-N 3.14Å; I106-L109 VanDerWaalsContact O-N 3.16Å; I106-L110 WeakPolarHBondContact O-CG 3.34Å; I106-L110 PolarHBondContact O-N 2.8Å
107	C	95.4	Very high	95.7	Very high	13 Å²	13	44.6 Å²	44.6	9%	0.088	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-43.9	173.9	-68.6	0	0	0	0	112	C21 I37 L103 L104 L109 L110 C111	C21-C107 PolarHBondContact SG-SG 3.49Å; I37-C107 VanDerWaalsContact CG2-SG 3.53Å; L103-C107 PolarHBondContact O-N 2.88Å; L103-C107 PolarHBondContact O-SG 2.94Å; L104-C107 WeakPolarHBondContact O-CB 3.4Å; L104-C107 PolarHBondContact O-N 2.82Å; C107-L109 VanDerWaalsContact C-N 3.25Å; C107-L109 PolarHBondContact O-N 2.76Å; C107-L110 WeakPolarHBondContact O-CB 3.49Å; C107-L110 PolarHBondContact O-N 2.74Å; C107-L110 VanDerWaalsContact O-N 3.13Å; C107-C111 PolarHBondContact O-N 2.7Å; C107-C111 VanDerWaalsContact O-N 3.15Å
108	S	95.1	Very high	95.6	Very high	77 Å²	77	45 Å²	45	54%	0.538	26%	0.258	S	S	.	.	H	α-helix	trans	-58.9	-40.2	174.4	-168.7	0	0	0	0	111.4	L104 S105 I106 L110 C111 D112	L104-S108 PolarHBondContact O-N 2.93Å; S105-S108 PolarHBondContact O-N 3.35Å; I106-S108 VanDerWaalsContact C-N 3.34Å; I106-S108 PolarHBondContact O-N 3.11Å; S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 3.18Å; S108-C111 PolarHBondContact O-N 3.2Å; S108-D112 PolarHBondContact O-N 3.29Å
109	L	96.3	Very high	95.6	Very high	15 Å²	15	45.8 Å²	45.8	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-35.7	176.8	-174.1	66.9	0	0	0	112.2	H75 N77 I84 S105 I106 C107 C111 D112 P113	H75-L109 PolarHBondContact NE2-O 3.01Å; N77-L109 HydrophobicContact CB-CD1 4.35Å; N77-L109 HydrophobicContact CB-CD2 4.08Å; I84-L109 HydrophobicContact CG2-CD2 4.05Å; S105-L109 WeakPolarHBondContact O-CB 3.41Å; S105-L109 PolarHBondContact O-N 3.37Å; I106-L109 WeakPolarHBondContact O-CB 3.4Å; I106-L109 PolarHBondContact O-N 3.14Å; I106-L109 VanDerWaalsContact O-N 3.16Å; C107-L109 VanDerWaalsContact C-N 3.25Å; C107-L109 PolarHBondContact O-N 2.76Å; L109-C111 VanDerWaalsContact C-N 3.33Å; L109-D112 CarbonylContact O-C 3.47Å; L109-D112 VanDerWaalsContact O-C 3.22Å; L109-D112 PolarHBondContact O-N 2.63Å; L109-P113 WeakPolarHBondContact O-CA 3.21Å
110	L	96.9	Very high	95.6	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-67.3	-33.3	174.2	-65.1	-176.1	0	0	0	112.6	I37 P40 Y45 F69 I73 I78 I106 C107 S108	I37-L110 HydrophobicContact CG2-CD1 3.99Å; P40-L110 HydrophobicContact CG-CB 4.19Å; Y45-L110 HydrophobicContact CD2-CB 3.99Å; Y45-L110 HydrophobicContact CD2-CD2 4.35Å; Y45-L110 HydrophobicContact CE2-CB 4.24Å; Y45-L110 HydrophobicContact CE2-CD2 4.21Å; Y45-L110 VanDerWaalsContact CE2-O 3.28Å; Y45-L110 WeakPolarHBondContact CE2-O 3.42Å; F69-L110 HydrophobicContact CZ-CD2 4.44Å; I73-L110 HydrophobicContact CD1-CD2 3.48Å; I73-L110 VanDerWaalsContact CD1-CD2 3.48Å; I78-L110 HydrophobicContact CD1-CD2 4.13Å; I106-L110 WeakPolarHBondContact O-CG 3.34Å; I106-L110 PolarHBondContact O-N 2.8Å; C107-L110 WeakPolarHBondContact O-CB 3.49Å; C107-L110 PolarHBondContact O-N 2.74Å; C107-L110 VanDerWaalsContact O-N 3.13Å; S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 3.18Å
111	C	94.9	Very high	95.7	Very high	77 Å²	77	50 Å²	50	52%	0.52	29%	0.286	S	S	.	.	H	α-helix	trans	-73.7	-43.5	174.2	-66.1	0	0	0	0	111.9	P40 C107 S108 L109	P40-C111 WeakPolarHBondContact CB-SG 3.41Å; P40-C111 VanDerWaalsContact CG-SG 3.54Å; C107-C111 PolarHBondContact O-N 2.7Å; C107-C111 VanDerWaalsContact O-N 3.15Å; S108-C111 PolarHBondContact O-N 3.2Å; L109-C111 VanDerWaalsContact C-N 3.33Å
112	D	95.2	Very high	95.8	Very high	113 Å²	113	52.3 Å²	52.3	60%	0.604	30%	0.299	S	S	*	.	S	Bend	trans	-130.2	86.2	-176.2	-165.5	20.1	0	0	0	110.9	S108 L109	S108-D112 PolarHBondContact O-N 3.29Å; L109-D112 CarbonylContact O-C 3.47Å; L109-D112 VanDerWaalsContact O-C 3.22Å; L109-D112 PolarHBondContact O-N 2.63Å
113	P	96.3	Very high	95.9	Very high	6 Å²	6	53 Å²	53	4%	0.039	30%	0.302	C	S	.	.			trans	-61.9	150.6	177.4	-21.7	31.9	0	0	0	111.8	P76 L109 P115 Y127	P76-P113 HydrophobicContact CG-CB 3.48Å; P76-P113 VanDerWaalsContact CG-CB 3.48Å; P76-P113 HydrophobicContact CG-CG 4.45Å; L109-P113 WeakPolarHBondContact O-CA 3.21Å; P113-P115 WeakPolarHBondContact O-CD 3.14Å; P113-Y127 HydrophobicContact CB-CE2 4.19Å; P113-Y127 HydrophobicContact CG-CD2 4.33Å; P113-Y127 HydrophobicContact CG-CE2 3.74Å
114	N	95.1	Very high	95.9	Very high	68 Å²	68	53.2 Å²	53.2	36%	0.364	30%	0.304	S	S	.	.			trans	-101	94	176.1	-179.9	-3.9	0	0	0	111	N77 D116 D117	N77-N114 PolarHBondContact ND2-O 3.03Å; N77-N114 PolarHBondContact OD1-N 2.85Å; N77-N114 PolarHBondContact OD1-O 2.88Å; N114-D116 VanDerWaalsContact C-N 3.25Å; N114-D116 PolarHBondContact O-N 2.75Å; N114-D116 PolarHBondContact OD1-N 3.28Å; N114-D117 PolarHBondContact OD1-N 3.06Å
115	P	94.8	Very high	96	Very high	20 Å²	20	55.6 Å²	55.6	13%	0.13	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-0.3	-178.1	37.6	-42.3	0	0	0	114.1	P113 A124 Y127 K128	P113-P115 WeakPolarHBondContact O-CD 3.14Å; P115-A124 HydrophobicContact CB-CB 4.21Å; P115-Y127 HydrophobicContact CB-CD1 3.79Å; P115-Y127 HydrophobicContact CB-CE1 4.31Å; P115-Y127 HydrophobicContact CG-CD1 3.82Å; P115-Y127 HydrophobicContact CG-CE1 3.85Å; P115-K128 HydrophobicContact CB-CD 4Å; P115-K128 HydrophobicContact CB-CG 3.85Å; P115-K128 HydrophobicContact CG-CD 4.33Å; P115-K128 HydrophobicContact CG-CG 4.06Å; P115-K128 WeakPolarHBondContact O-CE 3.41Å; P115-K128 PolarHBondContact O-NZ 2.85Å
116	D	93.9	Very high	96.1	Very high	129 Å²	129	54.8 Å²	54.8	69%	0.69	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-24.5	176.4	-64.5	-39	0	0	0	112.6	N114 P118 K128	N114-D116 VanDerWaalsContact C-N 3.25Å; N114-D116 PolarHBondContact O-N 2.75Å; N114-D116 PolarHBondContact OD1-N 3.28Å; D116-P118 WeakPolarHBondContact O-CD 3.33Å; D116-K128 WeakPolarHBondContact OD1-CE 3.34Å; D116-K128 IonicContact OD1-NZ 2.67Å; D116-K128 PolarHBondContact OD1-NZ 2.81Å
117	D	92.4	Very high	96.2	Very high	89 Å²	89	55.7 Å²	55.7	48%	0.476	31%	0.309	S	S	.	.	S	Bend	trans	-121.5	64.6	169.8	-174	34.7	0	0	0	111.8	N77 C85 N114	N77-D117 PolarHBondContact ND2-O 2.83Å; C85-D117 PolarHBondContact SG-OD2 2.94Å; N114-D117 PolarHBondContact OD1-N 3.06Å
118	P	94.9	Very high	96.3	Very high	41 Å²	41	60.6 Å²	60.6	27%	0.266	33%	0.329	S	S	.	.			trans	-81.1	141.8	-173.3	35	-36.8	0	0	0	112.4	D116 A124	D116-P118 WeakPolarHBondContact O-CD 3.33Å; P118-A124 HydrophobicContact CB-CB 3.37Å; P118-A124 HydrophobicContact CG-CB 3.89Å
119	L	95.8	Very high	96.4	Very high	53 Å²	53	60.4 Å²	60.4	28%	0.277	33%	0.332	S	S	.	.	S	Bend	trans	-84.3	-24.1	167	-155.6	66.1	0	0	0	111.8	P76 N79 S83 C85	P76-L119 PolarHBondContact O-N 2.76Å; N79-L119 HydrophobicContact CB-CD2 3.71Å; N79-L119 HydrophobicContact CB-CG 4.09Å; S83-L119 WeakPolarHBondContact O-CD2 3.36Å; C85-L119 HydrophobicContact CB-CB 4.19Å; C85-L119 HydrophobicContact CB-CD1 4.32Å
120	V	97.7	Very high	96.5	Very high	30 Å²	30	63.1 Å²	63.1	18%	0.182	35%	0.347	C	S	.	.	S	Bend	trans	-126.3	91.9	177.3	-168.2	0	0	0	0	109.1	P76 N79 E122 I123 A124	P76-V120 PolarHBondContact O-N 3.32Å; N79-V120 HydrophobicContact CB-CG2 4.04Å; V120-E122 VanDerWaalsContact C-N 3.26Å; V120-E122 PolarHBondContact O-N 2.88Å; V120-I123 HydrophobicContact CB-CB 4.28Å; V120-I123 HydrophobicContact CB-CD1 4.04Å; V120-I123 HydrophobicContact CB-CG1 4.15Å; V120-I123 HydrophobicContact CG1-CB 4.2Å; V120-I123 HydrophobicContact CG1-CD1 3.74Å; V120-I123 HydrophobicContact CG1-CG1 3.65Å; V120-I123 HydrophobicContact CG2-CD1 4.43Å; V120-I123 PolarHBondContact O-N 2.82Å; V120-A124 PolarHBondContact O-N 2.86Å; V120-A124 VanDerWaalsContact O-N 3.15Å
121	P	97.6	Very high	96.5	Very high	88 Å²	88	68.5 Å²	68.5	57%	0.571	37%	0.367	S	S	*	.	H	α-helix	trans	-56.9	-34.9	-173.9	-28.5	36	0	0	0	114.3	A124 H125	P121-A124 PolarHBondContact O-N 2.88Å; P121-H125 WeakPolarHBondContact O-CB 3.37Å; P121-H125 PolarHBondContact O-N 3.02Å
122	E	97.6	Very high	96.7	Very high	154 Å²	154	72.6 Å²	72.6	72%	0.72	38%	0.379	S	S	*	.	H	α-helix	trans	-64.9	-41.9	179.8	-63.4	173.7	175.5	0	0	112.5	V120 T126	V120-E122 VanDerWaalsContact C-N 3.26Å; V120-E122 PolarHBondContact O-N 2.88Å; E122-T126 PolarHBondContact O-N 2.82Å; E122-T126 PolarHBondContact O-OG1 2.92Å
123	I	98.3	Very high	96.8	Very high	17 Å²	17	72.5 Å²	72.5	9%	0.087	37%	0.373	C	S	.	.	H	α-helix	trans	-68.7	-40.1	176.6	-60.3	-178.9	0	0	0	109.5	Y74 P76 V120 T126 Y127 Y134	Y74-I123 HydrophobicContact CD1-CG2 4.07Å; Y74-I123 HydrophobicContact CD2-CD1 3.74Å; Y74-I123 HydrophobicContact CD2-CG1 4.24Å; Y74-I123 HydrophobicContact CE1-CB 4.49Å; Y74-I123 HydrophobicContact CE1-CG1 4.28Å; Y74-I123 HydrophobicContact CE1-CG2 3.67Å; Y74-I123 HydrophobicContact CE2-CD1 3.7Å; Y74-I123 HydrophobicContact CE2-CG1 3.67Å; Y74-I123 HydrophobicContact CG-CD1 4.17Å; P76-I123 HydrophobicContact CB-CB 4.39Å; P76-I123 HydrophobicContact CB-CG2 4.08Å; V120-I123 HydrophobicContact CB-CB 4.28Å; V120-I123 HydrophobicContact CB-CD1 4.04Å; V120-I123 HydrophobicContact CB-CG1 4.15Å; V120-I123 HydrophobicContact CG1-CB 4.2Å; V120-I123 HydrophobicContact CG1-CD1 3.74Å; V120-I123 HydrophobicContact CG1-CG1 3.65Å; V120-I123 HydrophobicContact CG2-CD1 4.43Å; V120-I123 PolarHBondContact O-N 2.82Å; I123-T126 PolarHBondContact O-N 3.01Å; I123-Y127 WeakPolarHBondContact O-CB 3.37Å; I123-Y127 PolarHBondContact O-N 3.12Å; I123-Y134 HydrophobicContact CG2-CD2 4.05Å; I123-Y134 HydrophobicContact CG2-CE2 3.69Å
124	A	97.9	Very high	96.9	Very high	4 Å²	4	72.4 Å²	72.4	3%	0.033	37%	0.371	C	S	.	.	H	α-helix	trans	-65	-40.5	177.5	0	0	0	0	0	112.6	P76 P115 P118 V120 P121 Y127 K128	P76-A124 HydrophobicContact CB-CB 3.79Å; P115-A124 HydrophobicContact CB-CB 4.21Å; P118-A124 HydrophobicContact CB-CB 3.37Å; P118-A124 HydrophobicContact CG-CB 3.89Å; V120-A124 PolarHBondContact O-N 2.86Å; V120-A124 VanDerWaalsContact O-N 3.15Å; P121-A124 PolarHBondContact O-N 2.88Å; A124-Y127 PolarHBondContact O-N 2.94Å; A124-K128 WeakPolarHBondContact O-CG 3.37Å; A124-K128 PolarHBondContact O-N 3.32Å
125	H	97.9	Very high	97.1	Very high	133 Å²	133	71.2 Å²	71.2	62%	0.616	37%	0.365	S	S	*	.	H	α-helix	trans	-60.2	-47.2	172.1	-180	73.8	0	0	0	110.9	P121 Y127 K128 A129	P121-H125 WeakPolarHBondContact O-CB 3.37Å; P121-H125 PolarHBondContact O-N 3.02Å; H125-Y127 VanDerWaalsContact C-N 3.35Å; H125-Y127 PolarHBondContact O-N 2.74Å; H125-K128 PolarHBondContact O-N 2.69Å; H125-A129 VanDerWaalsContact O-CB 3.25Å; H125-A129 WeakPolarHBondContact O-CB 3.46Å; H125-A129 PolarHBondContact O-N 3.1Å
126	T	98.2	Very high	97.3	Very high	22 Å²	22	76.3 Å²	76.3	14%	0.135	39%	0.385	C	S	.	.	H	α-helix	trans	-60	-44.5	176.1	-54.7	0	0	0	0	111.2	E122 I123 K128 A129 D130 K133	E122-T126 PolarHBondContact O-N 2.82Å; E122-T126 PolarHBondContact O-OG1 2.92Å; I123-T126 PolarHBondContact O-N 3.01Å; T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 PolarHBondContact O-N 2.9Å; T126-A129 PolarHBondContact O-N 2.83Å; T126-D130 CarbonylContact O-C 3.58Å; T126-D130 VanDerWaalsContact O-C 3.24Å; T126-D130 WeakPolarHBondContact O-CA 3.42Å; T126-D130 PolarHBondContact O-N 2.83Å; T126-K133 HydrophobicContact CG2-CB 4.42Å; T126-K133 HydrophobicContact CG2-CD 4.17Å; T126-K133 HydrophobicContact CG2-CG 4.13Å
127	Y	98	Very high	97.5	Very high	18 Å²	18	72.2 Å²	72.2	7%	0.071	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-37.5	177.9	178.3	-91.4	0	0	0	113.4	P113 P115 I123 A124 H125 R131 Y134	P113-Y127 HydrophobicContact CB-CE2 4.19Å; P113-Y127 HydrophobicContact CG-CD2 4.33Å; P113-Y127 HydrophobicContact CG-CE2 3.74Å; P115-Y127 HydrophobicContact CB-CD1 3.79Å; P115-Y127 HydrophobicContact CB-CE1 4.31Å; P115-Y127 HydrophobicContact CG-CD1 3.82Å; P115-Y127 HydrophobicContact CG-CE1 3.85Å; I123-Y127 WeakPolarHBondContact O-CB 3.37Å; I123-Y127 PolarHBondContact O-N 3.12Å; A124-Y127 PolarHBondContact O-N 2.94Å; H125-Y127 VanDerWaalsContact C-N 3.35Å; H125-Y127 PolarHBondContact O-N 2.74Å; Y127-R131 VanDerWaalsContact CE2-CZ 3.41Å; Y127-R131 PolarHBondContact O-NE 3.36Å; Y127-R131 PolarHBondContact O-NH2 2.9Å; Y127-R131 VanDerWaalsContact OH-CZ 3.29Å; Y127-R131 PolarHBondContact OH-NH1 2.89Å; Y127-R131 PolarHBondContact OH-NH2 2.82Å; Y127-Y134 AromaticContact CD2-CD1 3.64Å; Y127-Y134 HydrophobicContact CD2-CD1 3.64Å; Y127-Y134 AromaticContact CD2-CD2 3.97Å; Y127-Y134 HydrophobicContact CD2-CD2 3.97Å; Y127-Y134 AromaticContact CD2-CE1 3.57Å; Y127-Y134 HydrophobicContact CD2-CE1 3.57Å; Y127-Y134 AromaticContact CD2-CE2 3.89Å; Y127-Y134 HydrophobicContact CD2-CE2 3.89Å; Y127-Y134 AromaticContact CD2-CG 3.83Å; Y127-Y134 HydrophobicContact CD2-CG 3.83Å; Y127-Y134 AromaticContact CD2-CZ 3.67Å; Y127-Y134 HydrophobicContact CE2-CD1 4.26Å; Y127-Y134 AromaticContact CE2-CE1 3.96Å; Y127-Y134 HydrophobicContact CE2-CE1 3.96Å; Y127-Y134 HydrophobicContact CG-CD2 4.43Å
128	K	97.4	Very high	97.8	Very high	117 Å²	117	68 Å²	68	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-78.6	-40.7	178.3	-77	177.6	163.4	163.9	0	112.9	P115 D116 A124 H125 T126	P115-K128 HydrophobicContact CB-CD 4Å; P115-K128 HydrophobicContact CB-CG 3.85Å; P115-K128 HydrophobicContact CG-CD 4.33Å; P115-K128 HydrophobicContact CG-CG 4.06Å; P115-K128 WeakPolarHBondContact O-CE 3.41Å; P115-K128 PolarHBondContact O-NZ 2.85Å; D116-K128 WeakPolarHBondContact OD1-CE 3.34Å; D116-K128 IonicContact OD1-NZ 2.67Å; D116-K128 PolarHBondContact OD1-NZ 2.81Å; A124-K128 WeakPolarHBondContact O-CG 3.37Å; A124-K128 PolarHBondContact O-N 3.32Å; H125-K128 PolarHBondContact O-N 2.69Å; T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 PolarHBondContact O-N 2.9Å
129	A	97.8	Very high	98	Very high	72 Å²	72	72.7 Å²	72.7	60%	0.595	35%	0.353	S	S	*	.	H	α-helix	trans	-87	-35.7	-173.1	0	0	0	0	0	113.5	H125 T126	H125-A129 VanDerWaalsContact O-CB 3.25Å; H125-A129 WeakPolarHBondContact O-CB 3.46Å; H125-A129 PolarHBondContact O-N 3.1Å; T126-A129 PolarHBondContact O-N 2.83Å
130	D	97.7	Very high	98.1	Very high	72 Å²	72	74.2 Å²	74.2	39%	0.385	36%	0.359	S	S	.	.			trans	-148.6	87.9	-173.9	-174	-16.2	0	0	0	110.7	T126 E132 K133 Y134	T126-D130 CarbonylContact O-C 3.58Å; T126-D130 VanDerWaalsContact O-C 3.24Å; T126-D130 WeakPolarHBondContact O-CA 3.42Å; T126-D130 PolarHBondContact O-N 2.83Å; D130-E132 VanDerWaalsContact C-N 3.27Å; D130-E132 PolarHBondContact O-N 2.98Å; D130-E132 PolarHBondContact OD1-N 2.91Å; D130-K133 HydrophobicContact CB-CB 4.01Å; D130-K133 PolarHBondContact O-N 3.22Å; D130-K133 WeakPolarHBondContact OD1-CB 3.19Å; D130-K133 PolarHBondContact OD1-N 3.07Å; D130-K133 WeakPolarHBondContact OD2-CB 3.43Å; D130-Y134 PolarHBondContact O-N 3.31Å
131	R	97.4	Very high	98.1	Very high	116 Å²	116	76.8 Å²	76.8	44%	0.438	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-31.9	-178.1	-172.3	60.3	60.3	88	5.8	112.6	Y127 N135	Y127-R131 VanDerWaalsContact CE2-CZ 3.41Å; Y127-R131 PolarHBondContact O-NE 3.36Å; Y127-R131 PolarHBondContact O-NH2 2.9Å; Y127-R131 VanDerWaalsContact OH-CZ 3.29Å; Y127-R131 PolarHBondContact OH-NH1 2.89Å; Y127-R131 PolarHBondContact OH-NH2 2.82Å; R131-N135 WeakPolarHBondContact O-CB 3.42Å; R131-N135 PolarHBondContact O-N 3.42Å; R131-N135 PolarHBondContact O-ND2 3.26Å
132	E	98.1	Very high	98.2	Very high	163 Å²	163	72.8 Å²	72.8	76%	0.762	34%	0.339	S	S	*	.	H	α-helix	trans	-68.7	-46.4	179.4	-67	-168.7	167.2	0	0	111.1	D130 Y134 N135 K136	D130-E132 VanDerWaalsContact C-N 3.27Å; D130-E132 PolarHBondContact O-N 2.98Å; D130-E132 PolarHBondContact OD1-N 2.91Å; E132-Y134 VanDerWaalsContact C-N 3.35Å; E132-Y134 PolarHBondContact O-N 3.27Å; E132-N135 PolarHBondContact O-N 2.96Å; E132-K136 WeakPolarHBondContact O-CB 3.22Å; E132-K136 PolarHBondContact O-N 3.47Å
133	K	98.4	Very high	98.2	Very high	111 Å²	111	71.7 Å²	71.7	48%	0.483	33%	0.334	S	S	.	.	H	α-helix	trans	-61.4	-43.2	174.4	-179	178	178.7	-177.3	0	111.8	T126 D130 N135 K136 L137	T126-K133 HydrophobicContact CG2-CB 4.42Å; T126-K133 HydrophobicContact CG2-CD 4.17Å; T126-K133 HydrophobicContact CG2-CG 4.13Å; D130-K133 HydrophobicContact CB-CB 4.01Å; D130-K133 PolarHBondContact O-N 3.22Å; D130-K133 WeakPolarHBondContact OD1-CB 3.19Å; D130-K133 PolarHBondContact OD1-N 3.07Å; D130-K133 WeakPolarHBondContact OD2-CB 3.43Å; K133-N135 PolarHBondContact O-N 3.43Å; K133-K136 PolarHBondContact O-N 3.39Å; K133-L137 HydrophobicContact CG-CD1 4.04Å; K133-L137 HydrophobicContact CG-CG 4.5Å; K133-L137 WeakPolarHBondContact O-CG 3.41Å; K133-L137 PolarHBondContact O-N 3.18Å
134	Y	98.6	Very high	98.2	Very high	3 Å²	3	78 Å²	78	1%	0.012	36%	0.361	C	S	.	.	H	α-helix	trans	-55.5	-52.5	173.7	171.9	-93.5	0	0	0	111.3	P44 Y45 Y74 I123 Y127 D130 E132 K136 L137 A138	P44-Y134 HydrophobicContact CG-CE1 4.26Å; Y45-Y134 PolarHBondContact OH-OH 2.93Å; Y74-Y134 HydrophobicContact CD1-CD2 4.21Å; Y74-Y134 HydrophobicContact CD1-CE2 4.1Å; Y74-Y134 AromaticContact CE1-CD2 3.78Å; Y74-Y134 HydrophobicContact CE1-CD2 3.78Å; Y74-Y134 HydrophobicContact CE1-CE2 4.07Å; I123-Y134 HydrophobicContact CG2-CD2 4.05Å; I123-Y134 HydrophobicContact CG2-CE2 3.69Å; Y127-Y134 AromaticContact CD2-CD1 3.64Å; Y127-Y134 HydrophobicContact CD2-CD1 3.64Å; Y127-Y134 AromaticContact CD2-CD2 3.97Å; Y127-Y134 HydrophobicContact CD2-CD2 3.97Å; Y127-Y134 AromaticContact CD2-CE1 3.57Å; Y127-Y134 HydrophobicContact CD2-CE1 3.57Å; Y127-Y134 AromaticContact CD2-CE2 3.89Å; Y127-Y134 HydrophobicContact CD2-CE2 3.89Å; Y127-Y134 AromaticContact CD2-CG 3.83Å; Y127-Y134 HydrophobicContact CD2-CG 3.83Å; Y127-Y134 AromaticContact CD2-CZ 3.67Å; Y127-Y134 HydrophobicContact CE2-CD1 4.26Å; Y127-Y134 AromaticContact CE2-CE1 3.96Å; Y127-Y134 HydrophobicContact CE2-CE1 3.96Å; Y127-Y134 HydrophobicContact CG-CD2 4.43Å; D130-Y134 PolarHBondContact O-N 3.31Å; E132-Y134 VanDerWaalsContact C-N 3.35Å; E132-Y134 PolarHBondContact O-N 3.27Å; Y134-K136 VanDerWaalsContact C-N 3.3Å; Y134-K136 PolarHBondContact O-N 3.43Å; Y134-L137 PolarHBondContact O-N 3Å; Y134-A138 HydrophobicContact CE1-CB 4.49Å; Y134-A138 WeakPolarHBondContact O-CB 3.16Å; Y134-A138 PolarHBondContact O-N 3.31Å
135	N	98.4	Very high	98.2	Very high	43 Å²	43	81.5 Å²	81.5	23%	0.23	37%	0.374	C	S	.	.	H	α-helix	trans	-61.1	-40.3	-178.6	-75.8	-17.2	0	0	0	111.6	P44 R131 E132 K133 R139	P44-N135 HydrophobicContact CB-CB 4.49Å; R131-N135 WeakPolarHBondContact O-CB 3.42Å; R131-N135 PolarHBondContact O-N 3.42Å; R131-N135 PolarHBondContact O-ND2 3.26Å; E132-N135 PolarHBondContact O-N 2.96Å; K133-N135 PolarHBondContact O-N 3.43Å; N135-R139 VanDerWaalsContact O-CG 3.26Å; N135-R139 WeakPolarHBondContact O-CG 3.49Å; N135-R139 PolarHBondContact O-N 3.2Å
136	K	98.6	Very high	98.2	Very high	127 Å²	127	75.5 Å²	75.5	55%	0.552	35%	0.347	S	S	*	.	H	α-helix	trans	-61.2	-51.5	176.1	-177.4	-179.6	173.8	-177.2	0	111.5	E132 K133 Y134 A138 R139 E140	E132-K136 WeakPolarHBondContact O-CB 3.22Å; E132-K136 PolarHBondContact O-N 3.47Å; K133-K136 PolarHBondContact O-N 3.39Å; Y134-K136 VanDerWaalsContact C-N 3.3Å; Y134-K136 PolarHBondContact O-N 3.43Å; K136-A138 PolarHBondContact O-N 3.42Å; K136-R139 PolarHBondContact O-N 3.43Å; K136-E140 WeakPolarHBondContact CE-OE1 3.5Å; K136-E140 WeakPolarHBondContact O-CG 3.32Å; K136-E140 PolarHBondContact O-N 3.33Å
137	L	98.5	Very high	97.9	Very high	44 Å²	44	82.3 Å²	82.3	23%	0.23	38%	0.379	C	S	.	.	H	α-helix	trans	-63.3	-41.3	180	-69.1	172.1	0	0	0	112	Y74 K133 Y134 R139 E140 W141	Y74-L137 HydrophobicContact CD1-CB 4.09Å; Y74-L137 HydrophobicContact CE1-CB 3.84Å; Y74-L137 HydrophobicContact CE1-CD1 4.22Å; Y74-L137 HydrophobicContact CE2-CB 4.48Å; Y74-L137 HydrophobicContact CE2-CD1 4.44Å; Y74-L137 WeakPolarHBondContact OH-CD1 3.24Å; K133-L137 HydrophobicContact CG-CD1 4.04Å; K133-L137 HydrophobicContact CG-CG 4.5Å; K133-L137 WeakPolarHBondContact O-CG 3.41Å; K133-L137 PolarHBondContact O-N 3.18Å; Y134-L137 PolarHBondContact O-N 3Å; L137-R139 PolarHBondContact O-N 3.2Å; L137-E140 PolarHBondContact O-N 3.32Å; L137-W141 VanDerWaalsContact O-CD1 3.27Å; L137-W141 PolarHBondContact O-N 3.29Å
138	A	98.6	Very high	97.9	Very high	0 Å²	0	85.5 Å²	85.5	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-63.6	-38.6	176.8	0	0	0	0	0	112.5	P44 Y45 Y74 Y134 K136 W141 T142	P44-A138 HydrophobicContact CB-CB 3.58Å; P44-A138 HydrophobicContact CG-CB 3.68Å; Y45-A138 HydrophobicContact CE1-CB 3.98Å; Y74-A138 HydrophobicContact CD1-CB 4.17Å; Y134-A138 HydrophobicContact CE1-CB 4.49Å; Y134-A138 WeakPolarHBondContact O-CB 3.16Å; Y134-A138 PolarHBondContact O-N 3.31Å; K136-A138 PolarHBondContact O-N 3.42Å; A138-W141 PolarHBondContact O-N 2.88Å; A138-T142 WeakPolarHBondContact O-CB 3.42Å; A138-T142 PolarHBondContact O-N 3.15Å; A138-T142 PolarHBondContact O-OG1 2.84Å
139	R	98.6	Very high	97.9	Very high	139 Å²	139	83.8 Å²	83.8	53%	0.525	39%	0.389	S	S	.	.	H	α-helix	trans	-65.5	-44.2	172.4	-72.1	176.5	-153.8	153.3	3.5	112.2	P44 N135 K136 L137 W141 T142 Q143	P44-R139 HydrophobicContact CB-CG 3.85Å; P44-R139 WeakPolarHBondContact O-CA 3.28Å; P44-R139 WeakPolarHBondContact O-CG 3.43Å; N135-R139 VanDerWaalsContact O-CG 3.26Å; N135-R139 WeakPolarHBondContact O-CG 3.49Å; N135-R139 PolarHBondContact O-N 3.2Å; K136-R139 PolarHBondContact O-N 3.43Å; L137-R139 PolarHBondContact O-N 3.2Å; R139-W141 VanDerWaalsContact C-N 3.31Å; R139-W141 PolarHBondContact O-N 3.48Å; R139-T142 WeakPolarHBondContact O-CB 3.35Å; R139-T142 PolarHBondContact O-N 2.9Å; R139-Q143 WeakPolarHBondContact O-CG 3.47Å; R139-Q143 PolarHBondContact O-N 3.46Å
140	E	98.5	Very high	97.9	Very high	86 Å²	86	84.5 Å²	84.5	40%	0.402	38%	0.377	S	S	.	.	H	α-helix	trans	-59.7	-42.5	177.3	-73.5	172.6	-173	0	0	111.5	K136 L137 K144	K136-E140 WeakPolarHBondContact CE-OE1 3.5Å; K136-E140 WeakPolarHBondContact O-CG 3.32Å; K136-E140 PolarHBondContact O-N 3.33Å; L137-E140 PolarHBondContact O-N 3.32Å; E140-K144 VanDerWaalsContact O-CB 3.31Å; E140-K144 WeakPolarHBondContact O-CB 3.46Å; E140-K144 PolarHBondContact O-N 3.19Å
141	W	98.6	Very high	97.9	Very high	83 Å²	83	85.2 Å²	85.2	31%	0.314	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-40.9	174.8	-86.4	59.8	0	0	0	112.6	K72 I73 Y74 L137 A138 R139 K144 Y145	K72-W141 HydrophobicContact CB-CE3 4.29Å; K72-W141 HydrophobicContact CB-CZ3 4.05Å; I73-W141 VanDerWaalsContact C-CE3 3.49Å; Y74-W141 HydrophobicContact CD2-CD2 4.29Å; Y74-W141 AromaticContact CD2-CE2 3.94Å; Y74-W141 HydrophobicContact CD2-CZ2 4.26Å; Y74-W141 AromaticContact CD2-NE1 3.96Å; Y74-W141 HydrophobicContact CG-CD2 4.5Å; Y74-W141 HydrophobicContact CG-CG 4.44Å; L137-W141 VanDerWaalsContact O-CD1 3.27Å; L137-W141 PolarHBondContact O-N 3.29Å; A138-W141 PolarHBondContact O-N 2.88Å; R139-W141 VanDerWaalsContact C-N 3.31Å; R139-W141 PolarHBondContact O-N 3.48Å; W141-K144 PolarHBondContact O-N 3.05Å; W141-Y145 HydrophobicContact CB-CD2 4.21Å; W141-Y145 AromaticContact CD2-CD2 3.99Å; W141-Y145 HydrophobicContact CD2-CD2 3.99Å; W141-Y145 AromaticContact CD2-CE2 3.72Å; W141-Y145 HydrophobicContact CD2-CE2 3.72Å; W141-Y145 AromaticContact CE3-CD2 3.76Å; W141-Y145 HydrophobicContact CE3-CD2 3.76Å; W141-Y145 AromaticContact CE3-CE2 3.74Å; W141-Y145 HydrophobicContact CE3-CE2 3.74Å; W141-Y145 HydrophobicContact CG-CD2 4.21Å; W141-Y145 HydrophobicContact CG-CE2 4.1Å; W141-Y145 HydrophobicContact CZ3-CE2 4.27Å; W141-Y145 WeakPolarHBondContact O-CB 3.42Å; W141-Y145 VanDerWaalsContact O-CD2 3.31Å; W141-Y145 WeakPolarHBondContact O-CD2 3.14Å; W141-Y145 PolarHBondContact O-N 2.9Å
142	T	98.6	Very high	98	Very high	4 Å²	4	83.3 Å²	83.3	3%	0.025	37%	0.373	C	S	.	.	H	α-helix	trans	-59.5	-49	176.5	-60.2	0	0	0	0	110.4	P44 Y45 F50 A138 R139 K144 A146 M147	P44-T142 PolarHBondContact O-OG1 3.36Å; Y45-T142 WeakPolarHBondContact O-CG2 3.38Å; F50-T142 HydrophobicContact CZ-CG2 4.17Å; A138-T142 WeakPolarHBondContact O-CB 3.42Å; A138-T142 PolarHBondContact O-N 3.15Å; A138-T142 PolarHBondContact O-OG1 2.84Å; R139-T142 WeakPolarHBondContact O-CB 3.35Å; R139-T142 PolarHBondContact O-N 2.9Å; T142-K144 VanDerWaalsContact C-N 3.28Å; T142-K144 PolarHBondContact O-N 2.86Å; T142-A146 HydrophobicContact CG2-CB 4.32Å; T142-A146 CarbonylContact O-C 3.24Å; T142-A146 WeakPolarHBondContact O-CA 3.48Å; T142-A146 WeakPolarHBondContact O-CB 3.29Å; T142-A146 PolarHBondContact O-N 2.87Å; T142-M147 PolarHBondContact O-N 3.23Å
143	Q	98.2	Very high	97.9	Very high	132 Å²	132	78 Å²	78	62%	0.617	35%	0.347	S	S	*	.	H	α-helix	trans	-60	-36.4	176.5	-72.2	178.7	-1.6	0	0	113.2	R139 M147	R139-Q143 WeakPolarHBondContact O-CG 3.47Å; R139-Q143 PolarHBondContact O-N 3.46Å; Q143-M147 HydrophobicContact CB-SD 4.29Å; Q143-M147 HydrophobicContact CG-SD 3.79Å
144	K	98.2	Very high	97.9	Very high	148 Å²	148	75.6 Å²	75.6	64%	0.643	34%	0.338	S	S	*	.	H	α-helix	trans	-81.5	-32.7	-174.6	-173.9	173.2	178.9	-174.9	0	113.9	E140 W141 T142	E140-K144 VanDerWaalsContact O-CB 3.31Å; E140-K144 WeakPolarHBondContact O-CB 3.46Å; E140-K144 PolarHBondContact O-N 3.19Å; W141-K144 PolarHBondContact O-N 3.05Å; T142-K144 VanDerWaalsContact C-N 3.28Å; T142-K144 PolarHBondContact O-N 2.86Å
145	Y	98.1	Very high	97.9	Very high	79 Å²	79	81.2 Å²	81.2	31%	0.31	36%	0.363	S	S	.	.	H	α-helix	trans	-122.1	-17.6	-167.3	-59	-61.7	0	0	0	114.4	T71 K72 W141	T71-Y145 VanDerWaalsContact CG2-O 3.27Å; T71-Y145 WeakPolarHBondContact CG2-O 3.43Å; K72-Y145 HydrophobicContact CB-CD1 4.27Å; K72-Y145 HydrophobicContact CB-CD2 4Å; K72-Y145 HydrophobicContact CB-CG 3.86Å; K72-Y145 HydrophobicContact CD-CD1 4.16Å; K72-Y145 HydrophobicContact CD-CE1 4.01Å; W141-Y145 HydrophobicContact CB-CD2 4.21Å; W141-Y145 AromaticContact CD2-CD2 3.99Å; W141-Y145 HydrophobicContact CD2-CD2 3.99Å; W141-Y145 AromaticContact CD2-CE2 3.72Å; W141-Y145 HydrophobicContact CD2-CE2 3.72Å; W141-Y145 AromaticContact CE3-CD2 3.76Å; W141-Y145 HydrophobicContact CE3-CD2 3.76Å; W141-Y145 AromaticContact CE3-CE2 3.74Å; W141-Y145 HydrophobicContact CE3-CE2 3.74Å; W141-Y145 HydrophobicContact CG-CD2 4.21Å; W141-Y145 HydrophobicContact CG-CE2 4.1Å; W141-Y145 HydrophobicContact CZ3-CE2 4.27Å; W141-Y145 WeakPolarHBondContact O-CB 3.42Å; W141-Y145 VanDerWaalsContact O-CD2 3.31Å; W141-Y145 WeakPolarHBondContact O-CD2 3.14Å; W141-Y145 PolarHBondContact O-N 2.9Å
146	A	97.3	Very high	97.8	Very high	7 Å²	7	84.4 Å²	84.4	6%	0.058	37%	0.374	C	S	.	.			trans	-126.4	2.4	-171.3	0	0	0	0	0	113.7	G48 V49 F50 T71 T142	G48-A146 CarbonylContact C-O 3.48Å; G48-A146 WeakPolarHBondContact CA-O 3.42Å; V49-A146 PolarHBondContact N-O 2.73Å; F50-A146 HydrophobicContact CD1-CB 4.02Å; F50-A146 HydrophobicContact CE1-CB 3.58Å; F50-A146 HydrophobicContact CE2-CB 4.28Å; F50-A146 HydrophobicContact CZ-CB 3.73Å; T71-A146 HydrophobicContact CG2-CB 3.92Å; T142-A146 HydrophobicContact CG2-CB 4.32Å; T142-A146 CarbonylContact O-C 3.24Å; T142-A146 WeakPolarHBondContact O-CA 3.48Å; T142-A146 WeakPolarHBondContact O-CB 3.29Å; T142-A146 PolarHBondContact O-N 2.87Å
147	M	92.3	Very high	97.8	Very high	164 Å²	164	80.5 Å²	80.5	81%	0.808	36%	0.357	S	S	*	.			trans	-109	0	174.3	-63.1	-170.5	92.7	0	0	111.7	T142 Q143	T142-M147 PolarHBondContact O-N 3.23Å; Q143-M147 HydrophobicContact CB-SD 4.29Å; Q143-M147 HydrophobicContact CG-SD 3.79Å

Retrieved 147 of 147 residues in 177.4 ms (Link to these results)

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